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 1vfm_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLNVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH NTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.205 176.300 -0.158 0.000 1.140 1 M CA 0.000 55.232 55.300 -0.113 0.000 0.988 1 M CB 0.000 32.527 32.600 -0.122 0.000 1.302 2 L N 5.693 126.834 121.223 -0.137 0.000 2.505 2 L HA 0.142 4.481 4.340 -0.002 0.000 0.275 2 L C 0.520 177.261 176.870 -0.214 0.000 1.264 2 L CA 0.756 55.507 54.840 -0.149 0.000 1.148 2 L CB -0.147 41.851 42.059 -0.102 0.000 1.377 2 L HN 0.892 nan 8.230 nan 0.000 0.442 3 L N 1.548 122.551 121.223 -0.366 0.000 2.189 3 L HA -0.205 4.134 4.340 -0.002 0.000 0.214 3 L C 1.622 178.266 176.870 -0.377 0.000 1.097 3 L CA 0.901 55.333 54.840 -0.680 0.000 0.764 3 L CB -0.415 40.917 42.059 -1.212 0.000 0.900 3 L HN 0.545 nan 8.230 nan 0.000 0.436 4 E N 0.062 120.155 120.200 -0.178 0.000 2.516 4 E HA -0.068 4.280 4.350 -0.002 0.000 0.199 4 E C 1.737 178.364 176.600 0.044 0.000 1.069 4 E CA 0.802 57.187 56.400 -0.026 0.000 0.876 4 E CB 0.009 29.701 29.700 -0.014 0.000 0.843 4 E HN 0.450 nan 8.360 nan 0.000 0.530 5 A N -0.109 122.728 122.820 0.028 0.000 2.382 5 A HA 0.242 4.561 4.320 -0.002 0.000 0.228 5 A C 0.657 178.349 177.584 0.180 0.000 1.217 5 A CA -0.344 51.776 52.037 0.138 0.000 0.923 5 A CB 0.232 19.291 19.000 0.097 0.000 0.979 5 A HN 0.085 nan 8.150 nan 0.000 0.515 6 I N -0.000 120.620 120.570 0.083 0.000 2.575 6 I HA 0.337 4.506 4.170 -0.002 0.000 0.285 6 I C -0.227 176.008 176.117 0.198 0.000 1.085 6 I CA 0.094 61.433 61.300 0.065 0.000 1.403 6 I CB 0.788 38.710 38.000 -0.130 0.000 1.409 6 I HN 0.295 nan 8.210 nan 0.000 0.557 7 F N 4.866 124.843 119.950 0.044 0.000 2.626 7 F HA 0.657 5.183 4.527 -0.002 0.000 0.311 7 F C -0.663 175.218 175.800 0.135 0.000 1.088 7 F CA -0.415 57.625 58.000 0.067 0.000 0.949 7 F CB 1.749 40.656 39.000 -0.154 0.000 1.322 7 F HN 0.558 nan 8.300 nan 0.000 0.461 8 H N 1.218 119.295 119.070 -1.654 0.000 2.919 8 H HA 0.470 5.024 4.556 -0.002 0.000 0.270 8 H C -2.097 172.585 175.328 -1.078 0.000 1.412 8 H CA -0.436 54.918 56.048 -1.157 0.000 1.261 8 H CB 1.398 30.781 29.762 -0.632 0.000 1.850 8 H HN 0.675 nan 8.280 nan 0.000 0.478 9 E N 1.496 120.968 120.200 -1.214 0.000 2.378 9 E HA 0.590 4.939 4.350 -0.002 0.000 0.283 9 E C -1.418 174.810 176.600 -0.620 0.000 0.979 9 E CA -0.853 55.208 56.400 -0.565 0.000 0.795 9 E CB 1.643 31.223 29.700 -0.200 0.000 1.221 9 E HN 0.643 nan 8.360 nan 0.000 0.428 10 A N 2.827 125.553 122.820 -0.157 0.000 3.117 10 A HA 0.263 4.582 4.320 -0.002 0.000 0.255 10 A C 0.101 177.846 177.584 0.269 0.000 1.583 10 A CA 0.484 52.600 52.037 0.132 0.000 1.234 10 A CB -0.880 18.337 19.000 0.362 0.000 1.076 10 A HN 0.629 nan 8.150 nan 0.000 0.653 11 K N -2.315 118.192 120.400 0.178 0.000 1.898 11 K HA 0.640 4.959 4.320 -0.002 0.000 0.251 11 K C 1.087 177.851 176.600 0.273 0.000 0.625 11 K CA -0.340 56.113 56.287 0.276 0.000 0.463 11 K CB -0.648 31.971 32.500 0.198 0.000 1.666 11 K HN 0.928 nan 8.250 nan 0.000 0.513 12 G N 0.806 109.758 108.800 0.254 0.000 2.667 12 G HA2 -0.377 3.582 3.960 -0.002 0.000 0.379 12 G HA3 -0.377 3.582 3.960 -0.002 0.000 0.379 12 G C 0.813 175.923 174.900 0.349 0.000 1.236 12 G CA 1.540 46.807 45.100 0.277 0.000 0.946 12 G HN 0.617 nan 8.290 nan 0.000 0.573 13 S N -0.686 115.246 115.700 0.387 0.000 2.535 13 S HA 0.265 4.733 4.470 -0.002 0.000 0.214 13 S C 1.592 176.286 174.600 0.157 0.000 0.980 13 S CA 0.936 59.329 58.200 0.322 0.000 0.907 13 S CB 0.129 63.435 63.200 0.178 0.000 0.790 13 S HN 0.492 nan 8.310 nan 0.000 0.510 14 Y N 1.636 122.066 120.300 0.217 0.000 2.497 14 Y HA 0.528 5.077 4.550 -0.002 0.000 0.265 14 Y C 0.925 176.820 175.900 -0.007 0.000 1.111 14 Y CA -0.202 57.965 58.100 0.113 0.000 1.288 14 Y CB 0.361 38.861 38.460 0.067 0.000 1.082 14 Y HN 0.208 nan 8.280 nan 0.000 0.536 15 A N 0.104 122.969 122.820 0.075 0.000 2.476 15 A HA 0.665 4.984 4.320 -0.002 0.000 0.280 15 A C -1.720 175.828 177.584 -0.060 0.000 1.081 15 A CA -0.535 51.448 52.037 -0.091 0.000 0.753 15 A CB 0.141 19.160 19.000 0.031 0.000 1.248 15 A HN 0.231 nan 8.150 nan 0.000 0.424 16 Y N 0.792 120.947 120.300 -0.242 0.000 2.624 16 Y HA 0.861 5.410 4.550 -0.002 0.000 0.334 16 Y C -3.406 172.329 175.900 -0.275 0.000 1.155 16 Y CA -2.905 55.066 58.100 -0.215 0.000 1.046 16 Y CB 1.169 39.622 38.460 -0.011 0.000 1.316 16 Y HN 0.368 nan 8.280 nan 0.000 0.457 17 P HA 0.405 nan 4.420 nan 0.000 0.284 17 P C 0.142 177.542 177.300 0.168 0.000 1.258 17 P CA -0.437 62.683 63.100 0.033 0.000 0.824 17 P CB 2.479 34.190 31.700 0.018 0.000 1.038 18 I N -1.013 119.600 120.570 0.072 0.000 4.227 18 I HA 0.286 4.455 4.170 -0.002 0.000 0.334 18 I C 0.351 176.489 176.117 0.035 0.000 1.341 18 I CA -0.177 61.168 61.300 0.076 0.000 1.123 18 I CB 0.428 38.457 38.000 0.047 0.000 1.097 18 I HN 0.344 nan 8.210 nan 0.000 0.399 19 S N -0.332 115.379 115.700 0.018 0.000 2.661 19 S HA 0.282 4.751 4.470 -0.002 0.000 0.268 19 S C 0.248 174.850 174.600 0.005 0.000 1.162 19 S CA -0.433 57.774 58.200 0.011 0.000 0.817 19 S CB 1.462 64.659 63.200 -0.006 0.000 1.141 19 S HN 0.220 nan 8.310 nan 0.000 0.477 20 E N -0.198 120.005 120.200 0.005 0.000 2.347 20 E HA -0.011 4.338 4.350 -0.002 0.000 0.196 20 E C 1.067 177.637 176.600 -0.050 0.000 1.008 20 E CA 1.518 57.914 56.400 -0.007 0.000 0.852 20 E CB -0.029 29.677 29.700 0.009 0.000 0.783 20 E HN 0.768 nan 8.360 nan 0.000 0.505 21 T N -2.845 111.680 114.554 -0.047 0.000 3.040 21 T HA 0.207 4.556 4.350 -0.002 0.000 0.266 21 T C 0.389 175.040 174.700 -0.081 0.000 1.005 21 T CA -0.459 61.603 62.100 -0.063 0.000 0.906 21 T CB 0.413 69.257 68.868 -0.040 0.000 1.082 21 T HN -0.085 nan 8.240 nan 0.000 0.531 22 Q N 1.158 120.906 119.800 -0.088 0.000 2.325 22 Q HA 0.663 5.001 4.340 -0.002 0.000 0.270 22 Q C -1.806 174.090 176.000 -0.174 0.000 1.020 22 Q CA -0.870 54.859 55.803 -0.124 0.000 0.785 22 Q CB 2.724 31.409 28.738 -0.088 0.000 1.259 22 Q HN 0.230 nan 8.270 nan 0.000 0.452 23 L N 2.232 123.289 121.223 -0.277 0.000 2.317 23 L HA 0.584 4.922 4.340 -0.002 0.000 0.281 23 L C -0.985 175.625 176.870 -0.434 0.000 1.024 23 L CA -0.417 54.185 54.840 -0.396 0.000 0.810 23 L CB 1.442 43.188 42.059 -0.523 0.000 1.240 23 L HN 0.468 nan 8.230 nan 0.000 0.427 24 R N 3.291 123.482 120.500 -0.515 0.000 2.346 24 R HA 0.752 5.090 4.340 -0.002 0.000 0.311 24 R C -1.626 174.341 176.300 -0.555 0.000 0.983 24 R CA -0.529 55.242 56.100 -0.547 0.000 0.880 24 R CB 1.372 31.241 30.300 -0.718 0.000 1.100 24 R HN 0.512 nan 8.270 nan 0.000 0.453 25 V N 2.561 122.264 119.914 -0.351 0.000 2.483 25 V HA 0.674 4.792 4.120 -0.002 0.000 0.297 25 V C -0.497 175.625 176.094 0.047 0.000 1.027 25 V CA -1.024 61.191 62.300 -0.143 0.000 0.855 25 V CB 1.676 33.369 31.823 -0.215 0.000 0.995 25 V HN 0.609 nan 8.190 nan 0.000 0.424 26 R N 4.118 124.707 120.500 0.148 0.000 2.460 26 R HA 0.713 5.052 4.340 -0.002 0.000 0.303 26 R C -1.178 175.432 176.300 0.517 0.000 0.968 26 R CA -0.616 55.609 56.100 0.209 0.000 0.889 26 R CB 2.628 32.863 30.300 -0.107 0.000 1.123 26 R HN 0.896 nan 8.270 nan 0.000 0.455 27 L N 2.773 124.259 121.223 0.439 0.000 2.372 27 L HA 0.445 4.784 4.340 -0.002 0.000 0.274 27 L C -0.316 176.807 176.870 0.422 0.000 0.988 27 L CA -0.654 54.386 54.840 0.333 0.000 0.833 27 L CB 1.509 43.553 42.059 -0.026 0.000 1.236 27 L HN 0.494 nan 8.230 nan 0.000 0.410 28 R N 4.631 125.367 120.500 0.393 0.000 2.428 28 R HA 0.892 5.231 4.340 -0.002 0.000 0.294 28 R C -1.305 175.082 176.300 0.145 0.000 1.000 28 R CA 0.040 56.222 56.100 0.136 0.000 0.960 28 R CB 1.716 32.029 30.300 0.021 0.000 1.076 28 R HN 0.750 nan 8.270 nan 0.000 0.475 29 A N 3.269 126.182 122.820 0.155 0.000 2.602 29 A HA 0.341 4.660 4.320 -0.002 0.000 0.290 29 A C -1.385 176.339 177.584 0.233 0.000 1.114 29 A CA -0.904 51.256 52.037 0.204 0.000 0.683 29 A CB 1.212 20.328 19.000 0.193 0.000 1.281 29 A HN 0.774 nan 8.150 nan 0.000 0.416 30 K N 0.796 121.266 120.400 0.117 0.000 2.414 30 K HA 0.139 4.458 4.320 -0.002 0.000 0.272 30 K C 0.158 176.743 176.600 -0.024 0.000 0.993 30 K CA -0.027 56.230 56.287 -0.049 0.000 0.964 30 K CB 0.377 32.813 32.500 -0.106 0.000 0.925 30 K HN 0.592 nan 8.250 nan 0.000 0.487 31 K N 2.417 122.759 120.400 -0.096 0.000 2.419 31 K HA -0.028 4.290 4.320 -0.002 0.000 0.282 31 K C 0.571 177.162 176.600 -0.014 0.000 1.056 31 K CA 1.183 57.447 56.287 -0.039 0.000 1.035 31 K CB -0.115 32.344 32.500 -0.068 0.000 0.921 31 K HN 0.844 nan 8.250 nan 0.000 0.472 32 G N 4.090 112.911 108.800 0.036 0.000 2.284 32 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.230 32 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.230 32 G C 0.619 175.546 174.900 0.044 0.000 1.021 32 G CA 0.320 45.443 45.100 0.038 0.000 0.619 32 G HN 0.742 nan 8.290 nan 0.000 0.510 33 D N 0.177 120.598 120.400 0.034 0.000 2.178 33 D HA 0.194 4.833 4.640 -0.002 0.000 0.201 33 D C 1.261 177.575 176.300 0.024 0.000 0.980 33 D CA 1.511 55.518 54.000 0.012 0.000 0.842 33 D CB 0.169 40.959 40.800 -0.017 0.000 0.948 33 D HN 0.496 nan 8.370 nan 0.000 0.472 34 V N 0.867 120.833 119.914 0.086 0.000 2.459 34 V HA 0.223 4.341 4.120 -0.002 0.000 0.295 34 V C 1.072 177.235 176.094 0.115 0.000 1.029 34 V CA -0.577 61.738 62.300 0.024 0.000 0.874 34 V CB 2.017 33.758 31.823 -0.136 0.000 0.985 34 V HN 0.025 nan 8.190 nan 0.000 0.438 35 V N 1.662 121.598 119.914 0.037 0.000 3.645 35 V HA 0.489 4.608 4.120 -0.002 0.000 0.275 35 V C 0.580 176.716 176.094 0.069 0.000 1.356 35 V CA 0.291 62.650 62.300 0.098 0.000 1.051 35 V CB -0.025 31.836 31.823 0.063 0.000 0.828 35 V HN 0.804 nan 8.190 nan 0.000 0.441 36 R N -0.409 120.056 120.500 -0.059 0.000 2.515 36 R HA 0.579 4.918 4.340 -0.002 0.000 0.278 36 R C -2.179 173.991 176.300 -0.217 0.000 1.107 36 R CA -0.206 55.853 56.100 -0.069 0.000 0.945 36 R CB 1.825 32.118 30.300 -0.012 0.000 1.219 36 R HN 0.315 nan 8.270 nan 0.000 0.434 37 C N 4.001 123.151 119.300 -0.251 0.000 2.316 37 C HA 0.527 4.986 4.460 -0.002 0.000 0.324 37 C C -0.503 174.491 174.990 0.006 0.000 1.226 37 C CA -0.230 58.641 59.018 -0.245 0.000 1.450 37 C CB 0.836 28.244 27.740 -0.554 0.000 2.123 37 C HN 0.968 nan 8.230 nan 0.000 0.454 38 E N 3.648 123.889 120.200 0.069 0.000 2.256 38 E HA 0.733 5.082 4.350 -0.002 0.000 0.267 38 E C -1.487 175.189 176.600 0.127 0.000 0.892 38 E CA -0.507 55.953 56.400 0.101 0.000 0.775 38 E CB 2.014 31.758 29.700 0.074 0.000 1.207 38 E HN 0.545 nan 8.360 nan 0.000 0.420 39 V N 4.960 124.930 119.914 0.093 0.000 2.448 39 V HA 0.367 4.485 4.120 -0.002 0.000 0.295 39 V C -0.418 175.722 176.094 0.076 0.000 1.025 39 V CA -0.706 61.612 62.300 0.031 0.000 0.859 39 V CB 1.285 33.072 31.823 -0.059 0.000 0.988 39 V HN 0.593 nan 8.190 nan 0.000 0.431 40 L N 6.743 127.966 121.223 0.000 0.000 2.296 40 L HA 0.710 5.049 4.340 -0.002 0.000 0.286 40 L C -0.592 176.300 176.870 0.036 0.000 1.023 40 L CA -0.506 54.270 54.840 -0.107 0.000 0.812 40 L CB 1.096 43.039 42.059 -0.193 0.000 1.223 40 L HN 0.813 nan 8.230 nan 0.000 0.421 41 Y N 2.135 122.411 120.300 -0.040 0.000 2.728 41 Y HA 0.962 5.511 4.550 -0.002 0.000 0.330 41 Y C -0.793 175.108 175.900 0.002 0.000 1.234 41 Y CA -1.131 56.967 58.100 -0.004 0.000 1.070 41 Y CB 1.664 40.123 38.460 -0.001 0.000 1.300 41 Y HN 0.631 nan 8.280 nan 0.000 0.467 42 A N 0.513 123.460 122.820 0.211 0.000 2.515 42 A HA 0.443 4.761 4.320 -0.002 0.000 0.292 42 A C -1.949 175.726 177.584 0.151 0.000 1.065 42 A CA -0.455 51.647 52.037 0.109 0.000 0.641 42 A CB 0.680 19.685 19.000 0.009 0.000 1.306 42 A HN 0.957 nan 8.150 nan 0.000 0.441 43 D N -0.333 120.131 120.400 0.107 0.000 2.423 43 D HA 0.273 4.912 4.640 -0.002 0.000 0.238 43 D C 1.208 177.549 176.300 0.069 0.000 1.142 43 D CA 0.122 54.185 54.000 0.105 0.000 0.884 43 D CB 0.649 41.516 40.800 0.111 0.000 1.199 43 D HN 0.453 nan 8.370 nan 0.000 0.438 44 R N 1.837 122.363 120.500 0.044 0.000 2.127 44 R HA -0.173 4.166 4.340 -0.002 0.000 0.238 44 R C 0.882 177.014 176.300 -0.280 0.000 1.134 44 R CA 1.217 57.244 56.100 -0.122 0.000 0.975 44 R CB -0.210 29.977 30.300 -0.188 0.000 0.865 44 R HN 0.622 nan 8.270 nan 0.000 0.447 45 Y N -0.042 120.280 120.300 0.036 0.000 2.493 45 Y HA 0.311 4.860 4.550 -0.002 0.000 0.275 45 Y C 0.704 176.615 175.900 0.018 0.000 1.183 45 Y CA -0.571 57.544 58.100 0.025 0.000 1.258 45 Y CB 0.184 38.662 38.460 0.030 0.000 1.108 45 Y HN 0.007 nan 8.280 nan 0.000 0.521 46 A N 0.458 123.331 122.820 0.088 0.000 2.498 46 A HA 0.212 4.531 4.320 -0.002 0.000 0.239 46 A C 0.779 178.382 177.584 0.033 0.000 1.068 46 A CA 0.001 52.073 52.037 0.058 0.000 0.766 46 A CB 0.087 19.107 19.000 0.034 0.000 1.003 46 A HN 0.262 nan 8.150 nan 0.000 0.497 47 S N 2.506 118.224 115.700 0.031 0.000 2.568 47 S HA 0.226 4.695 4.470 -0.002 0.000 0.282 47 S C -1.272 173.327 174.600 -0.001 0.000 1.338 47 S CA -0.809 57.402 58.200 0.017 0.000 1.045 47 S CB 0.295 63.505 63.200 0.017 0.000 0.873 47 S HN 0.491 nan 8.310 nan 0.000 0.516 48 P HA -0.091 nan 4.420 nan 0.000 0.216 48 P C 0.870 178.159 177.300 -0.019 0.000 1.150 48 P CA 1.170 64.258 63.100 -0.019 0.000 0.843 48 P CB 0.118 31.806 31.700 -0.019 0.000 0.787 49 E N -0.532 119.662 120.200 -0.011 0.000 2.216 49 E HA -0.046 4.303 4.350 -0.002 0.000 0.192 49 E C 0.343 176.937 176.600 -0.010 0.000 0.988 49 E CA 0.344 56.738 56.400 -0.010 0.000 0.834 49 E CB -0.697 29.000 29.700 -0.005 0.000 0.772 49 E HN 0.445 nan 8.360 nan 0.000 0.479 50 E N 1.570 121.765 120.200 -0.008 0.000 2.558 50 E HA -0.077 4.272 4.350 -0.002 0.000 0.255 50 E C -0.276 176.314 176.600 -0.017 0.000 0.968 50 E CA 0.236 56.630 56.400 -0.009 0.000 0.939 50 E CB 0.260 29.957 29.700 -0.004 0.000 0.921 50 E HN 0.175 nan 8.360 nan 0.000 0.477 51 E N 3.137 123.328 120.200 -0.015 0.000 2.415 51 E HA -0.001 4.348 4.350 -0.002 0.000 0.260 51 E C -0.214 176.370 176.600 -0.026 0.000 1.016 51 E CA -0.205 56.187 56.400 -0.012 0.000 0.924 51 E CB 0.468 30.162 29.700 -0.010 0.000 0.961 51 E HN 0.307 nan 8.360 nan 0.000 0.459 52 L N 2.630 123.837 121.223 -0.026 0.000 2.452 52 L HA 0.232 4.570 4.340 -0.002 0.000 0.267 52 L C 0.442 177.280 176.870 -0.053 0.000 1.188 52 L CA -0.355 54.443 54.840 -0.071 0.000 0.821 52 L CB 0.731 42.734 42.059 -0.094 0.000 1.102 52 L HN 0.562 nan 8.230 nan 0.000 0.470 53 A N 1.844 124.519 122.820 -0.242 0.000 2.303 53 A HA 0.515 4.834 4.320 -0.002 0.000 0.317 53 A C -0.497 176.941 177.584 -0.243 0.000 1.149 53 A CA -0.475 51.389 52.037 -0.288 0.000 0.822 53 A CB 0.444 19.081 19.000 -0.604 0.000 1.131 53 A HN 0.819 nan 8.150 nan 0.000 0.493 54 H N -0.189 118.732 119.070 -0.249 0.000 2.630 54 H HA 0.753 5.308 4.556 -0.002 0.000 0.343 54 H C -0.229 175.134 175.328 0.059 0.000 1.232 54 H CA -0.471 55.532 56.048 -0.075 0.000 1.294 54 H CB 1.926 31.679 29.762 -0.015 0.000 1.746 54 H HN 0.919 nan 8.280 nan 0.000 0.593 55 A N 1.716 124.695 122.820 0.265 0.000 2.521 55 A HA 0.221 4.540 4.320 -0.002 0.000 0.298 55 A C -1.761 175.918 177.584 0.157 0.000 1.044 55 A CA -0.640 51.528 52.037 0.220 0.000 0.911 55 A CB 0.775 19.947 19.000 0.287 0.000 1.376 55 A HN 0.387 nan 8.150 nan 0.000 0.392 56 L N 2.494 123.796 121.223 0.132 0.000 2.367 56 L HA 0.656 4.995 4.340 -0.002 0.000 0.275 56 L C 0.714 177.661 176.870 0.127 0.000 1.129 56 L CA 0.624 55.538 54.840 0.123 0.000 0.839 56 L CB 1.232 43.358 42.059 0.112 0.000 1.133 56 L HN 1.088 nan 8.230 nan 0.000 0.453 57 A N 5.160 128.072 122.820 0.154 0.000 2.880 57 A HA 0.602 4.921 4.320 -0.002 0.000 0.328 57 A C 0.692 178.463 177.584 0.310 0.000 1.440 57 A CA -0.078 52.083 52.037 0.207 0.000 1.068 57 A CB -0.876 18.271 19.000 0.246 0.000 1.163 57 A HN 0.895 nan 8.150 nan 0.000 0.510 58 G N 0.804 109.745 108.800 0.235 0.000 2.760 58 G HA2 0.152 4.111 3.960 -0.002 0.000 0.236 58 G HA3 0.152 4.111 3.960 -0.002 0.000 0.236 58 G C 0.231 175.298 174.900 0.277 0.000 1.243 58 G CA -0.333 44.913 45.100 0.245 0.000 0.850 58 G HN 0.744 nan 8.290 nan 0.000 0.595 59 K N 1.085 121.590 120.400 0.175 0.000 2.315 59 K HA 0.377 4.696 4.320 -0.002 0.000 0.291 59 K C 1.199 177.761 176.600 -0.063 0.000 1.074 59 K CA 0.076 56.274 56.287 -0.149 0.000 0.936 59 K CB 0.355 32.752 32.500 -0.172 0.000 1.049 59 K HN 0.430 nan 8.250 nan 0.000 0.471 60 A N 3.612 126.397 122.820 -0.057 0.000 2.167 60 A HA 0.204 4.523 4.320 -0.002 0.000 0.214 60 A C 0.750 178.327 177.584 -0.011 0.000 1.151 60 A CA 0.979 53.011 52.037 -0.008 0.000 0.735 60 A CB -0.001 18.998 19.000 -0.002 0.000 0.802 60 A HN 0.838 nan 8.150 nan 0.000 0.467 61 G N -2.499 106.293 108.800 -0.014 0.000 2.328 61 G HA2 0.464 4.423 3.960 -0.002 0.000 0.299 61 G HA3 0.464 4.423 3.960 -0.002 0.000 0.299 61 G C -1.124 173.854 174.900 0.130 0.000 1.435 61 G CA 0.033 45.155 45.100 0.038 0.000 0.865 61 G HN 0.585 nan 8.290 nan 0.000 0.601 62 S N 0.016 115.796 115.700 0.132 0.000 2.569 62 S HA 0.856 5.325 4.470 -0.002 0.000 0.280 62 S C -0.872 173.826 174.600 0.164 0.000 1.111 62 S CA -0.630 57.668 58.200 0.163 0.000 0.887 62 S CB 2.481 65.721 63.200 0.067 0.000 1.095 62 S HN 1.095 nan 8.310 nan 0.000 0.476 63 D N 0.188 120.712 120.400 0.206 0.000 2.898 63 D HA 0.335 4.974 4.640 -0.002 0.000 0.266 63 D C 0.716 177.072 176.300 0.093 0.000 1.173 63 D CA -0.652 53.438 54.000 0.149 0.000 1.078 63 D CB -0.176 40.768 40.800 0.240 0.000 1.326 63 D HN 0.437 nan 8.370 nan 0.000 0.622 64 E N -0.679 119.567 120.200 0.076 0.000 2.085 64 E HA -0.124 4.225 4.350 -0.002 0.000 0.194 64 E C 1.482 178.067 176.600 -0.026 0.000 0.994 64 E CA 1.287 57.701 56.400 0.024 0.000 0.801 64 E CB 0.141 29.853 29.700 0.021 0.000 0.743 64 E HN 0.285 nan 8.360 nan 0.000 0.453 65 R N -1.782 118.692 120.500 -0.042 0.000 2.487 65 R HA 0.203 4.542 4.340 -0.002 0.000 0.272 65 R C -0.405 175.531 176.300 -0.606 0.000 0.928 65 R CA -0.209 55.675 56.100 -0.360 0.000 1.077 65 R CB 0.830 30.788 30.300 -0.570 0.000 1.265 65 R HN -0.063 nan 8.270 nan 0.000 0.537 66 F N -0.355 119.556 119.950 -0.064 0.000 2.640 66 F HA 0.441 4.966 4.527 -0.002 0.000 0.324 66 F C -0.052 175.622 175.800 -0.211 0.000 1.077 66 F CA -1.293 56.600 58.000 -0.178 0.000 0.965 66 F CB 1.193 39.976 39.000 -0.361 0.000 1.351 66 F HN -0.309 nan 8.300 nan 0.000 0.487 67 D N -0.341 120.028 120.400 -0.052 0.000 2.299 67 D HA 0.408 5.047 4.640 -0.002 0.000 0.243 67 D C -1.563 174.532 176.300 -0.342 0.000 0.982 67 D CA -0.206 53.711 54.000 -0.137 0.000 0.924 67 D CB 2.055 42.790 40.800 -0.108 0.000 1.238 67 D HN 0.356 nan 8.370 nan 0.000 0.484 68 Y N 0.393 120.535 120.300 -0.263 0.000 2.354 68 Y HA 0.376 4.925 4.550 -0.002 0.000 0.330 68 Y C -0.521 175.151 175.900 -0.379 0.000 1.011 68 Y CA -0.849 57.160 58.100 -0.153 0.000 1.099 68 Y CB 1.135 39.569 38.460 -0.044 0.000 1.179 68 Y HN 0.131 nan 8.280 nan 0.000 0.442 69 F N 1.441 121.526 119.950 0.225 0.000 2.458 69 F HA 0.560 5.086 4.527 -0.002 0.000 0.330 69 F C 0.106 175.992 175.800 0.143 0.000 1.082 69 F CA -0.882 57.214 58.000 0.161 0.000 0.995 69 F CB 1.741 40.825 39.000 0.139 0.000 1.170 69 F HN 0.369 nan 8.300 nan 0.000 0.478 70 E N 1.329 121.680 120.200 0.251 0.000 2.256 70 E HA 0.767 5.116 4.350 -0.002 0.000 0.268 70 E C -1.658 174.998 176.600 0.093 0.000 0.877 70 E CA -0.785 55.691 56.400 0.126 0.000 0.757 70 E CB 1.935 31.661 29.700 0.043 0.000 1.183 70 E HN 0.761 nan 8.360 nan 0.000 0.418 71 A N 3.335 126.171 122.820 0.026 0.000 2.469 71 A HA 0.685 5.004 4.320 -0.002 0.000 0.299 71 A C -1.862 175.642 177.584 -0.133 0.000 1.098 71 A CA -0.700 51.324 52.037 -0.022 0.000 0.737 71 A CB 1.466 20.465 19.000 -0.003 0.000 1.312 71 A HN 0.449 nan 8.150 nan 0.000 0.414 72 L N 1.812 122.960 121.223 -0.124 0.000 2.316 72 L HA 0.608 4.947 4.340 -0.002 0.000 0.280 72 L C -1.578 175.160 176.870 -0.220 0.000 1.006 72 L CA -0.544 54.192 54.840 -0.174 0.000 0.836 72 L CB 0.916 42.913 42.059 -0.103 0.000 1.221 72 L HN 0.513 nan 8.230 nan 0.000 0.418 73 L N 4.956 125.945 121.223 -0.390 0.000 2.265 73 L HA 0.403 4.742 4.340 -0.002 0.000 0.288 73 L C 0.319 176.983 176.870 -0.343 0.000 1.058 73 L CA -0.037 54.439 54.840 -0.607 0.000 0.809 73 L CB 0.807 42.266 42.059 -1.000 0.000 1.179 73 L HN 0.464 nan 8.230 nan 0.000 0.429 74 E N 2.673 122.796 120.200 -0.128 0.000 2.052 74 E HA 0.155 4.504 4.350 -0.002 0.000 0.283 74 E C -0.850 175.761 176.600 0.019 0.000 1.071 74 E CA -0.044 56.345 56.400 -0.019 0.000 0.851 74 E CB 0.742 30.481 29.700 0.064 0.000 1.066 74 E HN 0.456 nan 8.360 nan 0.000 0.396 75 C N 2.938 122.207 119.300 -0.052 0.000 2.184 75 C HA 0.130 4.589 4.460 -0.002 0.000 0.328 75 C C 1.892 176.866 174.990 -0.027 0.000 1.081 75 C CA -0.583 58.418 59.018 -0.029 0.000 1.533 75 C CB -0.898 26.789 27.740 -0.089 0.000 1.905 75 C HN 0.707 nan 8.230 nan 0.000 0.439 76 S N 1.086 116.789 115.700 0.005 0.000 2.453 76 S HA -0.137 4.332 4.470 -0.002 0.000 0.231 76 S C 1.507 176.097 174.600 -0.017 0.000 1.005 76 S CA 1.579 59.776 58.200 -0.004 0.000 0.949 76 S CB -0.491 62.716 63.200 0.013 0.000 0.774 76 S HN 0.818 nan 8.310 nan 0.000 0.510 77 T N -1.198 113.347 114.554 -0.014 0.000 3.107 77 T HA 0.319 4.668 4.350 -0.002 0.000 0.249 77 T C 0.539 175.166 174.700 -0.121 0.000 1.096 77 T CA -0.003 62.084 62.100 -0.022 0.000 1.012 77 T CB -0.663 68.226 68.868 0.035 0.000 0.977 77 T HN 0.511 nan 8.240 nan 0.000 0.527 78 K N 0.060 120.358 120.400 -0.170 0.000 3.341 78 K HA -0.173 4.146 4.320 -0.002 0.000 0.305 78 K C -0.252 176.122 176.600 -0.376 0.000 1.270 78 K CA 0.760 56.839 56.287 -0.348 0.000 0.897 78 K CB -1.379 30.744 32.500 -0.629 0.000 1.264 78 K HN 0.529 nan 8.250 nan 0.000 0.468 79 R N 0.044 120.463 120.500 -0.135 0.000 2.673 79 R HA 0.701 5.040 4.340 -0.002 0.000 0.281 79 R C -1.303 175.034 176.300 0.062 0.000 0.991 79 R CA -0.891 55.210 56.100 0.002 0.000 0.896 79 R CB 2.897 33.268 30.300 0.118 0.000 1.201 79 R HN -0.020 nan 8.270 nan 0.000 0.457 80 V N 2.493 122.474 119.914 0.111 0.000 2.924 80 V HA 0.412 4.531 4.120 -0.002 0.000 0.300 80 V C -1.763 174.464 176.094 0.223 0.000 1.227 80 V CA -0.742 61.641 62.300 0.138 0.000 0.954 80 V CB 2.230 34.082 31.823 0.049 0.000 1.055 80 V HN 0.822 nan 8.190 nan 0.000 0.429 81 K N 5.992 126.521 120.400 0.214 0.000 2.324 81 K HA 0.826 5.145 4.320 -0.002 0.000 0.253 81 K C -1.540 175.226 176.600 0.277 0.000 0.932 81 K CA -0.654 55.747 56.287 0.189 0.000 0.799 81 K CB 2.069 34.586 32.500 0.027 0.000 1.154 81 K HN 0.785 nan 8.250 nan 0.000 0.425 82 Y N -1.176 119.130 120.300 0.011 0.000 2.571 82 Y HA 0.715 5.263 4.550 -0.002 0.000 0.341 82 Y C -1.639 174.203 175.900 -0.096 0.000 1.076 82 Y CA -1.476 56.591 58.100 -0.055 0.000 1.029 82 Y CB 1.677 40.035 38.460 -0.169 0.000 1.308 82 Y HN 0.365 nan 8.280 nan 0.000 0.461 83 V N 3.102 122.946 119.914 -0.116 0.000 2.876 83 V HA 0.636 4.754 4.120 -0.002 0.000 0.312 83 V C -1.655 174.395 176.094 -0.074 0.000 1.085 83 V CA -1.159 61.075 62.300 -0.110 0.000 0.945 83 V CB 1.842 33.606 31.823 -0.098 0.000 1.017 83 V HN 0.705 nan 8.190 nan 0.000 0.428 84 F N 5.693 125.751 119.950 0.180 0.000 2.399 84 F HA 0.640 5.165 4.527 -0.002 0.000 0.334 84 F C -0.110 175.863 175.800 0.290 0.000 1.097 84 F CA -0.669 57.458 58.000 0.212 0.000 1.076 84 F CB 1.640 40.778 39.000 0.229 0.000 1.162 84 F HN 0.337 nan 8.300 nan 0.000 0.495 85 L N 5.147 126.592 121.223 0.370 0.000 2.301 85 L HA 0.509 4.848 4.340 -0.002 0.000 0.278 85 L C -1.225 175.679 176.870 0.056 0.000 1.022 85 L CA -0.381 54.562 54.840 0.171 0.000 0.854 85 L CB 0.308 42.436 42.059 0.116 0.000 1.226 85 L HN 0.462 nan 8.230 nan 0.000 0.429 86 L N 4.224 125.458 121.223 0.019 0.000 2.307 86 L HA 0.613 4.952 4.340 -0.002 0.000 0.282 86 L C 0.032 176.847 176.870 -0.093 0.000 1.051 86 L CA -0.450 54.360 54.840 -0.049 0.000 0.804 86 L CB 1.553 43.600 42.059 -0.020 0.000 1.197 86 L HN 0.491 nan 8.230 nan 0.000 0.431 87 T N 1.401 115.895 114.554 -0.101 0.000 2.807 87 T HA 0.524 4.873 4.350 -0.002 0.000 0.279 87 T C 0.348 175.012 174.700 -0.061 0.000 0.993 87 T CA -0.528 61.525 62.100 -0.078 0.000 0.970 87 T CB 1.864 70.697 68.868 -0.058 0.000 0.950 87 T HN 0.766 nan 8.240 nan 0.000 0.441 88 G N 2.416 111.186 108.800 -0.050 0.000 2.535 88 G HA2 0.456 4.415 3.960 -0.002 0.000 0.303 88 G HA3 0.456 4.415 3.960 -0.002 0.000 0.303 88 G C -1.720 173.169 174.900 -0.018 0.000 1.237 88 G CA -1.649 43.429 45.100 -0.035 0.000 0.986 88 G HN 0.380 nan 8.290 nan 0.000 0.494 89 P HA -0.100 nan 4.420 nan 0.000 0.216 89 P C 1.183 178.479 177.300 -0.006 0.000 1.153 89 P CA 1.201 64.300 63.100 -0.002 0.000 0.858 89 P CB 0.188 31.886 31.700 -0.003 0.000 0.789 90 Q N -1.017 118.774 119.800 -0.014 0.000 2.244 90 Q HA 0.286 4.625 4.340 -0.002 0.000 0.239 90 Q C 1.015 177.004 176.000 -0.017 0.000 0.890 90 Q CA 0.431 56.225 55.803 -0.015 0.000 0.964 90 Q CB -0.477 28.251 28.738 -0.018 0.000 1.076 90 Q HN 0.217 nan 8.270 nan 0.000 0.447 91 G N 2.188 110.977 108.800 -0.018 0.000 2.175 91 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.265 91 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.265 91 G C 0.153 175.032 174.900 -0.034 0.000 0.979 91 G CA 0.611 45.698 45.100 -0.022 0.000 0.663 91 G HN 0.567 nan 8.290 nan 0.000 0.533 92 E N 0.192 120.369 120.200 -0.039 0.000 2.384 92 E HA 0.478 4.827 4.350 -0.002 0.000 0.266 92 E C 0.081 176.638 176.600 -0.072 0.000 1.012 92 E CA 0.186 56.556 56.400 -0.049 0.000 0.901 92 E CB 1.244 30.915 29.700 -0.048 0.000 0.967 92 E HN 1.077 nan 8.360 nan 0.000 0.435 93 A N 4.376 127.140 122.820 -0.094 0.000 2.412 93 A HA 0.432 4.751 4.320 -0.002 0.000 0.334 93 A C -0.403 177.058 177.584 -0.205 0.000 1.419 93 A CA -0.830 51.108 52.037 -0.167 0.000 0.930 93 A CB 0.406 19.282 19.000 -0.206 0.000 1.149 93 A HN 0.404 nan 8.150 nan 0.000 0.515 94 V N 2.459 122.289 119.914 -0.140 0.000 2.539 94 V HA 0.259 4.378 4.120 -0.002 0.000 0.292 94 V C -0.544 175.547 176.094 -0.006 0.000 1.045 94 V CA -0.305 61.979 62.300 -0.028 0.000 0.945 94 V CB 1.022 32.885 31.823 0.066 0.000 0.993 94 V HN 0.744 nan 8.190 nan 0.000 0.464 95 Y N 3.636 124.054 120.300 0.197 0.000 2.328 95 Y HA 0.466 5.014 4.550 -0.002 0.000 0.337 95 Y C -0.236 175.839 175.900 0.292 0.000 1.008 95 Y CA -0.386 57.836 58.100 0.203 0.000 1.129 95 Y CB 1.620 40.150 38.460 0.117 0.000 1.185 95 Y HN 0.603 nan 8.280 nan 0.000 0.476 96 F N 3.295 123.426 119.950 0.302 0.000 2.444 96 F HA 0.749 5.275 4.527 -0.002 0.000 0.342 96 F C 0.113 176.008 175.800 0.159 0.000 1.121 96 F CA -0.377 57.671 58.000 0.079 0.000 0.997 96 F CB 0.923 39.996 39.000 0.122 0.000 1.130 96 F HN 0.616 nan 8.300 nan 0.000 0.454 97 G N 3.711 112.344 108.800 -0.278 0.000 2.870 97 G HA2 0.124 4.083 3.960 -0.002 0.000 0.299 97 G HA3 0.124 4.083 3.960 -0.002 0.000 0.299 97 G C -0.294 173.780 174.900 -1.377 0.000 1.324 97 G CA -0.463 44.193 45.100 -0.739 0.000 0.808 97 G HN 0.636 nan 8.290 nan 0.000 0.535 98 E N -1.059 118.315 120.200 -1.376 0.000 2.152 98 E HA -0.067 4.281 4.350 -0.002 0.000 0.192 98 E C 2.170 178.446 176.600 -0.540 0.000 0.983 98 E CA 1.560 57.299 56.400 -1.102 0.000 0.818 98 E CB 0.036 29.270 29.700 -0.776 0.000 0.758 98 E HN 0.407 nan 8.360 nan 0.000 0.467 99 T N -0.253 114.059 114.554 -0.403 0.000 2.777 99 T HA 0.106 4.455 4.350 -0.002 0.000 0.266 99 T C 0.746 175.353 174.700 -0.155 0.000 1.040 99 T CA 0.973 62.942 62.100 -0.219 0.000 1.141 99 T CB 0.135 68.904 68.868 -0.164 0.000 0.868 99 T HN 0.477 nan 8.240 nan 0.000 0.444 100 G N -0.163 108.520 108.800 -0.196 0.000 2.347 100 G HA2 0.290 4.249 3.960 -0.002 0.000 0.224 100 G HA3 0.290 4.249 3.960 -0.002 0.000 0.224 100 G C -1.720 173.071 174.900 -0.180 0.000 1.318 100 G CA -1.067 43.953 45.100 -0.133 0.000 1.016 100 G HN 0.173 nan 8.290 nan 0.000 0.469 101 F N 0.970 121.018 119.950 0.162 0.000 2.432 101 F HA 0.852 5.378 4.527 -0.002 0.000 0.329 101 F C 0.778 176.647 175.800 0.115 0.000 1.076 101 F CA 0.044 58.137 58.000 0.155 0.000 1.018 101 F CB 2.287 41.326 39.000 0.065 0.000 1.201 101 F HN 0.660 nan 8.300 nan 0.000 0.489 102 S N 0.193 116.091 115.700 0.330 0.000 2.565 102 S HA 0.584 5.053 4.470 -0.002 0.000 0.274 102 S C 0.084 174.838 174.600 0.257 0.000 1.144 102 S CA -0.067 58.271 58.200 0.231 0.000 0.849 102 S CB 1.123 64.421 63.200 0.162 0.000 1.103 102 S HN 0.853 nan 8.310 nan 0.000 0.455 103 A N 2.099 125.027 122.820 0.180 0.000 2.066 103 A HA 0.250 4.569 4.320 -0.002 0.000 0.218 103 A C 0.526 178.281 177.584 0.285 0.000 1.157 103 A CA 0.816 52.948 52.037 0.159 0.000 0.670 103 A CB -0.376 18.678 19.000 0.090 0.000 0.804 103 A HN 0.782 nan 8.150 nan 0.000 0.453 104 E N -1.061 119.296 120.200 0.263 0.000 2.191 104 E HA 0.398 4.746 4.350 -0.002 0.000 0.278 104 E C 0.534 177.181 176.600 0.078 0.000 0.972 104 E CA -0.675 55.849 56.400 0.207 0.000 0.804 104 E CB 1.526 31.273 29.700 0.078 0.000 1.110 104 E HN 0.335 nan 8.360 nan 0.000 0.394 105 R N 1.617 121.922 120.500 -0.325 0.000 2.080 105 R HA -0.174 4.165 4.340 -0.002 0.000 0.236 105 R C 1.942 178.016 176.300 -0.377 0.000 1.137 105 R CA 2.198 57.765 56.100 -0.888 0.000 0.943 105 R CB -0.193 29.562 30.300 -0.908 0.000 0.846 105 R HN 0.603 nan 8.270 nan 0.000 0.431 106 S N -0.344 115.223 115.700 -0.222 0.000 2.595 106 S HA -0.034 4.435 4.470 -0.002 0.000 0.235 106 S C 1.125 175.663 174.600 -0.104 0.000 0.974 106 S CA 0.799 58.911 58.200 -0.147 0.000 0.942 106 S CB 0.044 63.182 63.200 -0.103 0.000 0.766 106 S HN 0.374 nan 8.310 nan 0.000 0.536 107 K N 0.004 120.358 120.400 -0.076 0.000 2.374 107 K HA 0.409 4.728 4.320 -0.002 0.000 0.202 107 K C 1.511 178.086 176.600 -0.041 0.000 1.040 107 K CA 0.477 56.740 56.287 -0.041 0.000 1.085 107 K CB 0.404 32.906 32.500 0.003 0.000 0.873 107 K HN 0.401 nan 8.250 nan 0.000 0.539 108 A N 1.294 124.076 122.820 -0.064 0.000 2.238 108 A HA 0.354 4.673 4.320 -0.002 0.000 0.210 108 A C 1.082 178.548 177.584 -0.197 0.000 1.179 108 A CA 0.746 52.738 52.037 -0.074 0.000 0.827 108 A CB -0.172 18.834 19.000 0.010 0.000 0.856 108 A HN 0.354 nan 8.150 nan 0.000 0.488 109 G N -1.500 107.186 108.800 -0.191 0.000 2.512 109 G HA2 0.028 3.987 3.960 -0.002 0.000 0.254 109 G HA3 0.028 3.987 3.960 -0.002 0.000 0.254 109 G C -0.148 174.584 174.900 -0.281 0.000 1.199 109 G CA 0.091 45.049 45.100 -0.236 0.000 0.941 109 G HN 1.534 nan 8.290 nan 0.000 0.569 110 V N -0.356 119.345 119.914 -0.356 0.000 3.023 110 V HA 0.606 4.725 4.120 -0.002 0.000 0.294 110 V C -0.764 175.063 176.094 -0.444 0.000 1.324 110 V CA -0.885 61.205 62.300 -0.350 0.000 0.979 110 V CB 1.570 33.263 31.823 -0.216 0.000 1.093 110 V HN 0.988 nan 8.190 nan 0.000 0.434 111 F N 3.512 123.121 119.950 -0.569 0.000 2.380 111 F HA 0.634 5.160 4.527 -0.002 0.000 0.325 111 F C 0.690 176.230 175.800 -0.434 0.000 1.136 111 F CA 0.109 57.732 58.000 -0.628 0.000 1.171 111 F CB 1.183 39.490 39.000 -1.154 0.000 1.230 111 F HN 0.393 nan 8.300 nan 0.000 0.554 112 Q N 1.267 121.107 119.800 0.068 0.000 2.289 112 Q HA 0.222 4.560 4.340 -0.002 0.000 0.270 112 Q C -1.895 174.268 176.000 0.271 0.000 1.038 112 Q CA -0.858 55.037 55.803 0.153 0.000 0.812 112 Q CB 2.794 31.547 28.738 0.025 0.000 1.300 112 Q HN 0.589 nan 8.270 nan 0.000 0.427 113 Y N 1.494 121.916 120.300 0.204 0.000 2.842 113 Y HA 0.384 4.932 4.550 -0.002 0.000 0.334 113 Y C 0.854 176.808 175.900 0.089 0.000 1.019 113 Y CA -0.177 58.007 58.100 0.140 0.000 1.258 113 Y CB 0.341 38.858 38.460 0.095 0.000 1.106 113 Y HN 0.948 nan 8.280 nan 0.000 0.545 114 A N 4.564 127.316 122.820 -0.114 0.000 1.893 114 A HA -0.261 4.058 4.320 -0.002 0.000 0.222 114 A C -0.200 177.440 177.584 0.092 0.000 1.309 114 A CA 2.357 54.387 52.037 -0.012 0.000 0.681 114 A CB -0.734 18.249 19.000 -0.029 0.000 0.842 114 A HN 0.715 nan 8.150 nan 0.000 0.468 115 Y N -2.594 117.612 120.300 -0.156 0.000 2.521 115 Y HA 0.529 5.078 4.550 -0.002 0.000 0.332 115 Y C -1.189 174.594 175.900 -0.195 0.000 1.121 115 Y CA -1.087 56.909 58.100 -0.173 0.000 1.037 115 Y CB 1.288 39.567 38.460 -0.301 0.000 1.330 115 Y HN 0.186 nan 8.280 nan 0.000 0.452 116 I N 5.956 126.309 120.570 -0.361 0.000 2.310 116 I HA 0.239 4.408 4.170 -0.002 0.000 0.287 116 I C -0.810 175.277 176.117 -0.050 0.000 1.073 116 I CA -0.424 60.832 61.300 -0.073 0.000 1.216 116 I CB 0.260 38.231 38.000 -0.048 0.000 1.415 116 I HN 0.597 nan 8.210 nan 0.000 0.480 117 H N 5.338 124.583 119.070 0.292 0.000 2.800 117 H HA 0.150 4.704 4.556 -0.002 0.000 0.291 117 H C 1.419 176.840 175.328 0.155 0.000 1.076 117 H CA -0.484 55.726 56.048 0.270 0.000 1.452 117 H CB 0.845 30.733 29.762 0.209 0.000 1.461 117 H HN 0.501 nan 8.280 nan 0.000 0.488 118 R N 1.472 122.111 120.500 0.232 0.000 2.204 118 R HA -0.210 4.129 4.340 -0.002 0.000 0.253 118 R C 1.342 177.720 176.300 0.130 0.000 1.172 118 R CA 1.859 58.046 56.100 0.146 0.000 0.994 118 R CB -0.442 29.925 30.300 0.112 0.000 0.874 118 R HN 0.561 nan 8.270 nan 0.000 0.462 119 S N 0.057 115.841 115.700 0.141 0.000 2.603 119 S HA -0.008 4.460 4.470 -0.002 0.000 0.229 119 S C 0.955 175.602 174.600 0.079 0.000 0.972 119 S CA 0.596 58.848 58.200 0.086 0.000 0.935 119 S CB 0.147 63.378 63.200 0.052 0.000 0.769 119 S HN 0.600 nan 8.310 nan 0.000 0.536 120 E N 0.574 120.849 120.200 0.125 0.000 2.526 120 E HA 0.193 4.542 4.350 -0.002 0.000 0.208 120 E C -0.748 175.921 176.600 0.114 0.000 0.997 120 E CA -0.161 56.304 56.400 0.108 0.000 0.961 120 E CB 0.853 30.651 29.700 0.163 0.000 1.030 120 E HN 0.293 nan 8.360 nan 0.000 0.483 121 V N 3.289 123.277 119.914 0.122 0.000 2.390 121 V HA -0.043 4.076 4.120 -0.002 0.000 0.260 121 V C 0.179 176.372 176.094 0.164 0.000 1.043 121 V CA -0.109 62.273 62.300 0.136 0.000 1.047 121 V CB -1.054 30.834 31.823 0.108 0.000 1.066 121 V HN 0.190 nan 8.190 nan 0.000 0.481 122 F N 5.088 125.036 119.950 -0.005 0.000 2.417 122 F HA -0.052 4.474 4.527 -0.002 0.000 0.412 122 F C 0.915 176.693 175.800 -0.036 0.000 0.964 122 F CA 0.744 58.719 58.000 -0.041 0.000 1.081 122 F CB -0.218 38.716 39.000 -0.110 0.000 0.909 122 F HN 0.485 nan 8.300 nan 0.000 0.522 123 T N 4.676 119.459 114.554 0.382 0.000 2.824 123 T HA 0.601 4.950 4.350 -0.002 0.000 0.282 123 T C -0.067 174.758 174.700 0.209 0.000 0.993 123 T CA -0.617 61.611 62.100 0.212 0.000 0.967 123 T CB 1.556 70.490 68.868 0.110 0.000 0.960 123 T HN 0.651 nan 8.240 nan 0.000 0.441 124 T N 0.330 114.945 114.554 0.101 0.000 2.906 124 T HA 0.678 5.027 4.350 -0.002 0.000 0.295 124 T C -3.108 171.570 174.700 -0.038 0.000 1.075 124 T CA -2.543 59.582 62.100 0.042 0.000 1.005 124 T CB 1.060 69.918 68.868 -0.016 0.000 1.136 124 T HN 0.141 nan 8.240 nan 0.000 0.498 125 P HA 0.166 nan 4.420 nan 0.000 0.263 125 P C 0.878 178.045 177.300 -0.221 0.000 1.195 125 P CA -0.035 62.972 63.100 -0.154 0.000 0.762 125 P CB 0.479 31.998 31.700 -0.301 0.000 0.799 126 E N 3.098 123.258 120.200 -0.067 0.000 2.085 126 E HA -0.184 4.165 4.350 -0.002 0.000 0.194 126 E C 1.822 178.405 176.600 -0.028 0.000 0.994 126 E CA 1.427 57.805 56.400 -0.037 0.000 0.801 126 E CB -0.425 29.293 29.700 0.030 0.000 0.743 126 E HN 0.723 nan 8.360 nan 0.000 0.453 127 W N 0.780 122.077 121.300 -0.005 0.000 2.374 127 W HA 0.043 4.702 4.660 -0.002 0.000 0.288 127 W C 1.758 178.280 176.519 0.005 0.000 1.218 127 W CA 0.996 58.333 57.345 -0.013 0.000 1.245 127 W CB -0.792 28.655 29.460 -0.022 0.000 1.126 127 W HN -0.024 nan 8.180 nan 0.000 0.545 128 A N 1.770 124.004 122.820 -0.977 0.000 2.015 128 A HA -0.141 4.178 4.320 -0.002 0.000 0.219 128 A C 1.997 179.371 177.584 -0.350 0.000 1.163 128 A CA 1.411 52.890 52.037 -0.930 0.000 0.646 128 A CB -0.687 17.733 19.000 -0.965 0.000 0.806 128 A HN 0.365 nan 8.150 nan 0.000 0.448 129 K N -0.290 119.969 120.400 -0.236 0.000 2.555 129 K HA -0.012 4.307 4.320 -0.002 0.000 0.193 129 K C 0.162 176.717 176.600 -0.075 0.000 1.032 129 K CA 0.948 57.152 56.287 -0.139 0.000 1.004 129 K CB 0.030 32.463 32.500 -0.111 0.000 0.804 129 K HN 0.595 nan 8.250 nan 0.000 0.496 130 E N -0.564 119.617 120.200 -0.031 0.000 2.794 130 E HA 0.137 4.486 4.350 -0.002 0.000 0.203 130 E C -0.771 175.898 176.600 0.115 0.000 0.953 130 E CA -0.270 56.156 56.400 0.043 0.000 1.284 130 E CB 1.153 30.890 29.700 0.062 0.000 1.077 130 E HN 0.158 nan 8.360 nan 0.000 0.508 131 A N 0.898 123.765 122.820 0.078 0.000 2.287 131 A HA 0.524 4.843 4.320 -0.002 0.000 0.273 131 A C 0.130 177.745 177.584 0.051 0.000 1.091 131 A CA -0.172 51.949 52.037 0.141 0.000 0.817 131 A CB 0.808 19.946 19.000 0.230 0.000 1.069 131 A HN 0.031 nan 8.150 nan 0.000 0.492 132 V N 3.564 123.514 119.914 0.061 0.000 2.385 132 V HA 0.195 4.314 4.120 -0.002 0.000 0.277 132 V C -0.597 175.458 176.094 -0.064 0.000 1.012 132 V CA -0.545 61.734 62.300 -0.035 0.000 0.832 132 V CB 0.671 32.502 31.823 0.013 0.000 1.028 132 V HN 0.672 nan 8.190 nan 0.000 0.436 133 I N 3.386 123.819 120.570 -0.228 0.000 2.779 133 I HA 0.242 4.411 4.170 -0.002 0.000 0.285 133 I C -0.277 175.753 176.117 -0.145 0.000 1.134 133 I CA -0.278 60.858 61.300 -0.273 0.000 1.398 133 I CB 0.174 37.697 38.000 -0.795 0.000 1.404 133 I HN 0.657 nan 8.210 nan 0.000 0.587 134 Y N 4.563 124.742 120.300 -0.202 0.000 2.402 134 Y HA 0.275 4.824 4.550 -0.002 0.000 0.325 134 Y C 0.310 176.127 175.900 -0.139 0.000 1.009 134 Y CA -0.736 57.276 58.100 -0.147 0.000 1.278 134 Y CB 0.922 39.295 38.460 -0.145 0.000 1.105 134 Y HN 0.647 nan 8.280 nan 0.000 0.476 135 Q N 5.683 125.441 119.800 -0.070 0.000 2.330 135 Q HA 0.338 4.677 4.340 -0.002 0.000 0.279 135 Q C -1.266 174.676 176.000 -0.096 0.000 1.024 135 Q CA 0.265 56.118 55.803 0.082 0.000 0.900 135 Q CB 0.624 29.595 28.738 0.388 0.000 1.221 135 Q HN 0.781 nan 8.270 nan 0.000 0.396 136 I N 4.478 124.870 120.570 -0.296 0.000 2.466 136 I HA 0.260 4.429 4.170 -0.002 0.000 0.289 136 I C -1.060 174.902 176.117 -0.258 0.000 1.026 136 I CA -0.731 60.321 61.300 -0.413 0.000 1.078 136 I CB 1.464 38.990 38.000 -0.790 0.000 1.249 136 I HN 0.657 nan 8.210 nan 0.000 0.429 137 F N 9.219 128.899 119.950 -0.451 0.000 2.293 137 F HA 0.366 4.892 4.527 -0.002 0.000 0.370 137 F C -1.371 174.294 175.800 -0.225 0.000 1.090 137 F CA -1.887 55.951 58.000 -0.270 0.000 1.133 137 F CB 1.033 39.971 39.000 -0.103 0.000 1.360 137 F HN 0.344 nan 8.300 nan 0.000 0.489 138 P HA -0.327 nan 4.420 nan 0.000 0.216 138 P C 1.340 178.547 177.300 -0.155 0.000 1.167 138 P CA 1.650 64.481 63.100 -0.447 0.000 0.933 138 P CB 0.211 31.204 31.700 -1.179 0.000 0.793 139 E N -0.310 119.804 120.200 -0.142 0.000 2.208 139 E HA -0.203 4.146 4.350 -0.002 0.000 0.202 139 E C 1.441 178.251 176.600 0.350 0.000 1.014 139 E CA 1.218 57.771 56.400 0.254 0.000 0.819 139 E CB -0.091 29.706 29.700 0.161 0.000 0.735 139 E HN 0.297 nan 8.360 nan 0.000 0.469 140 R N -1.430 119.239 120.500 0.282 0.000 2.629 140 R HA 0.121 4.459 4.340 -0.002 0.000 0.386 140 R C 1.317 177.773 176.300 0.259 0.000 1.071 140 R CA -0.205 56.073 56.100 0.297 0.000 1.104 140 R CB -0.415 30.084 30.300 0.331 0.000 1.370 140 R HN 0.134 nan 8.270 nan 0.000 0.574 141 F N 1.077 121.129 119.950 0.171 0.000 2.274 141 F HA 0.403 4.929 4.527 -0.002 0.000 0.288 141 F C 0.185 176.389 175.800 0.673 0.000 1.069 141 F CA 0.401 58.516 58.000 0.192 0.000 1.343 141 F CB 0.617 39.627 39.000 0.018 0.000 1.089 141 F HN -0.021 nan 8.300 nan 0.000 0.517 142 A N 0.794 123.958 122.820 0.572 0.000 2.547 142 A HA 0.276 4.595 4.320 -0.002 0.000 0.300 142 A C -1.752 175.826 177.584 -0.010 0.000 1.061 142 A CA -0.729 51.429 52.037 0.200 0.000 0.808 142 A CB 0.006 18.993 19.000 -0.023 0.000 1.304 142 A HN 0.148 nan 8.150 nan 0.000 0.393 143 N N 1.547 120.004 118.700 -0.405 0.000 2.439 143 N HA 0.452 5.190 4.740 -0.002 0.000 0.249 143 N C 0.870 176.230 175.510 -0.249 0.000 1.003 143 N CA 0.713 53.619 53.050 -0.240 0.000 0.942 143 N CB 1.592 39.909 38.487 -0.282 0.000 1.115 143 N HN 0.865 nan 8.380 nan 0.000 0.505 144 G N 1.418 110.138 108.800 -0.133 0.000 3.044 144 G HA2 -0.006 3.953 3.960 -0.002 0.000 0.223 144 G HA3 -0.006 3.953 3.960 -0.002 0.000 0.223 144 G C -0.080 174.763 174.900 -0.094 0.000 1.123 144 G CA -0.054 44.963 45.100 -0.139 0.000 0.765 144 G HN 0.551 nan 8.290 nan 0.000 0.546 145 D N 0.109 120.471 120.400 -0.063 0.000 2.330 145 D HA 0.225 4.864 4.640 -0.002 0.000 0.249 145 D C -2.043 174.235 176.300 -0.036 0.000 1.306 145 D CA -1.528 52.446 54.000 -0.044 0.000 0.956 145 D CB 2.218 43.004 40.800 -0.022 0.000 1.261 145 D HN -0.028 nan 8.370 nan 0.000 0.544 146 P HA -0.057 nan 4.420 nan 0.000 0.239 146 P C 0.889 178.176 177.300 -0.021 0.000 1.184 146 P CA 0.362 63.445 63.100 -0.028 0.000 0.760 146 P CB 0.062 31.744 31.700 -0.030 0.000 0.884 147 S N -0.178 115.507 115.700 -0.024 0.000 2.558 147 S HA -0.015 4.454 4.470 -0.002 0.000 0.217 147 S C 1.201 175.784 174.600 -0.030 0.000 0.975 147 S CA 0.162 58.349 58.200 -0.023 0.000 0.912 147 S CB -1.000 62.188 63.200 -0.020 0.000 0.776 147 S HN 0.204 nan 8.310 nan 0.000 0.526 148 N N 0.123 118.800 118.700 -0.038 0.000 2.171 148 N HA 0.193 4.932 4.740 -0.002 0.000 0.212 148 N C -1.215 174.237 175.510 -0.096 0.000 1.184 148 N CA -0.408 52.606 53.050 -0.061 0.000 0.888 148 N CB -0.396 38.058 38.487 -0.056 0.000 1.038 148 N HN 0.105 nan 8.380 nan 0.000 0.517 149 D N 2.780 123.139 120.400 -0.068 0.000 2.488 149 D HA 0.092 4.731 4.640 -0.002 0.000 0.238 149 D C -1.918 174.314 176.300 -0.114 0.000 1.138 149 D CA -0.530 53.422 54.000 -0.080 0.000 0.873 149 D CB 0.525 41.317 40.800 -0.014 0.000 1.183 149 D HN 0.284 nan 8.370 nan 0.000 0.458 150 P HA 0.185 nan 4.420 nan 0.000 0.274 150 P C -2.588 174.704 177.300 -0.014 0.000 1.237 150 P CA -1.388 61.592 63.100 -0.200 0.000 0.793 150 P CB -0.102 31.246 31.700 -0.586 0.000 0.977 151 P HA 0.024 nan 4.420 nan 0.000 0.262 151 P C 0.517 177.902 177.300 0.141 0.000 1.199 151 P CA 0.946 64.094 63.100 0.080 0.000 0.763 151 P CB -0.374 31.370 31.700 0.072 0.000 0.790 152 G N 2.381 111.243 108.800 0.102 0.000 2.545 152 G HA2 -0.147 3.811 3.960 -0.002 0.000 0.279 152 G HA3 -0.147 3.811 3.960 -0.002 0.000 0.279 152 G C -0.143 174.828 174.900 0.119 0.000 1.131 152 G CA -0.539 44.618 45.100 0.095 0.000 1.100 152 G HN 0.584 nan 8.290 nan 0.000 0.525 153 T N 1.883 116.496 114.554 0.098 0.000 2.762 153 T HA 0.405 4.753 4.350 -0.002 0.000 0.303 153 T C 0.790 175.511 174.700 0.036 0.000 0.977 153 T CA -0.320 61.836 62.100 0.094 0.000 0.961 153 T CB 0.978 69.918 68.868 0.120 0.000 0.944 153 T HN 0.549 nan 8.240 nan 0.000 0.481 154 E N 2.044 122.164 120.200 -0.133 0.000 2.442 154 E HA -0.002 4.347 4.350 -0.002 0.000 0.260 154 E C 0.376 177.086 176.600 0.184 0.000 1.148 154 E CA -0.344 55.992 56.400 -0.107 0.000 0.976 154 E CB 0.444 29.926 29.700 -0.364 0.000 0.967 154 E HN 0.426 nan 8.360 nan 0.000 0.454 155 Q N 1.377 121.350 119.800 0.289 0.000 2.337 155 Q HA -0.048 4.291 4.340 -0.002 0.000 0.270 155 Q C -1.323 174.977 176.000 0.500 0.000 1.002 155 Q CA 0.061 56.080 55.803 0.360 0.000 0.888 155 Q CB 0.486 29.359 28.738 0.226 0.000 1.222 155 Q HN 0.492 nan 8.270 nan 0.000 0.400 156 W N 5.479 126.925 121.300 0.244 0.000 2.430 156 W HA 0.545 5.204 4.660 -0.002 0.000 0.380 156 W C -1.317 175.226 176.519 0.039 0.000 1.045 156 W CA -0.105 57.305 57.345 0.109 0.000 1.547 156 W CB -0.273 29.256 29.460 0.115 0.000 1.554 156 W HN 0.703 nan 8.180 nan 0.000 0.378 157 A N 4.824 127.619 122.820 -0.041 0.000 2.515 157 A HA 0.293 4.611 4.320 -0.002 0.000 0.298 157 A C 0.692 178.200 177.584 -0.128 0.000 1.059 157 A CA -0.678 51.354 52.037 -0.009 0.000 0.698 157 A CB 2.072 21.102 19.000 0.051 0.000 1.289 157 A HN 0.603 nan 8.150 nan 0.000 0.404 158 K N 0.554 120.910 120.400 -0.073 0.000 1.973 158 K HA -0.175 4.144 4.320 -0.002 0.000 0.210 158 K C 0.834 177.388 176.600 -0.076 0.000 1.045 158 K CA 2.234 58.464 56.287 -0.096 0.000 0.937 158 K CB -0.279 32.187 32.500 -0.056 0.000 0.721 158 K HN 0.830 nan 8.250 nan 0.000 0.438 159 D N 0.536 120.914 120.400 -0.036 0.000 2.379 159 D HA 0.009 4.647 4.640 -0.002 0.000 0.243 159 D C 0.014 176.306 176.300 -0.013 0.000 1.088 159 D CA 0.193 54.181 54.000 -0.021 0.000 0.925 159 D CB 0.038 40.836 40.800 -0.005 0.000 0.888 159 D HN 0.327 nan 8.370 nan 0.000 0.529 160 A N 0.375 123.179 122.820 -0.027 0.000 2.279 160 A HA 0.684 5.003 4.320 -0.002 0.000 0.303 160 A C 0.157 177.736 177.584 -0.009 0.000 1.108 160 A CA -0.822 51.215 52.037 0.001 0.000 0.830 160 A CB 0.874 19.882 19.000 0.012 0.000 1.106 160 A HN 0.054 nan 8.150 nan 0.000 0.493 161 R N 1.041 121.565 120.500 0.039 0.000 2.502 161 R HA 0.455 4.794 4.340 -0.002 0.000 0.300 161 R C -2.984 173.377 176.300 0.101 0.000 0.984 161 R CA -1.525 54.601 56.100 0.043 0.000 0.882 161 R CB 1.190 31.508 30.300 0.031 0.000 1.180 161 R HN 0.527 nan 8.270 nan 0.000 0.444 162 P HA 0.318 nan 4.420 nan 0.000 0.274 162 P C -0.476 176.896 177.300 0.120 0.000 1.237 162 P CA -0.582 62.636 63.100 0.196 0.000 0.793 162 P CB 0.717 32.563 31.700 0.243 0.000 0.977 163 R N -0.536 120.022 120.500 0.096 0.000 2.905 163 R HA 0.451 4.790 4.340 -0.002 0.000 0.260 163 R C 1.038 177.384 176.300 0.076 0.000 1.086 163 R CA -0.630 55.515 56.100 0.076 0.000 0.978 163 R CB -0.429 29.896 30.300 0.041 0.000 1.215 163 R HN 0.236 nan 8.270 nan 0.000 0.480 164 H N 0.116 119.167 119.070 -0.032 0.000 2.314 164 H HA -0.212 4.343 4.556 -0.002 0.000 0.288 164 H C 0.362 175.583 175.328 -0.178 0.000 1.091 164 H CA 3.076 59.091 56.048 -0.056 0.000 1.155 164 H CB 0.062 29.795 29.762 -0.048 0.000 1.362 164 H HN 0.729 nan 8.280 nan 0.000 0.530 165 D N 0.253 120.492 120.400 -0.268 0.000 2.340 165 D HA 0.039 4.677 4.640 -0.002 0.000 0.220 165 D C 0.241 176.050 176.300 -0.817 0.000 1.039 165 D CA 0.177 53.724 54.000 -0.755 0.000 0.866 165 D CB -0.091 40.308 40.800 -0.668 0.000 0.913 165 D HN 0.193 nan 8.370 nan 0.000 0.523 166 S N 0.456 115.900 115.700 -0.427 0.000 2.542 166 S HA 0.025 4.493 4.470 -0.002 0.000 0.287 166 S C 0.186 174.559 174.600 -0.377 0.000 1.315 166 S CA 0.353 58.331 58.200 -0.370 0.000 1.037 166 S CB 0.418 63.532 63.200 -0.143 0.000 0.822 166 S HN 0.149 nan 8.310 nan 0.000 0.513 167 F N -0.019 119.738 119.950 -0.320 0.000 2.603 167 F HA 0.463 4.989 4.527 -0.002 0.000 0.317 167 F C -0.285 175.260 175.800 -0.425 0.000 1.066 167 F CA -0.883 57.005 58.000 -0.187 0.000 0.941 167 F CB 1.801 40.756 39.000 -0.075 0.000 1.291 167 F HN 0.537 nan 8.300 nan 0.000 0.472 168 Y N -0.290 120.255 120.300 0.409 0.000 2.957 168 Y HA 0.238 4.787 4.550 -0.002 0.000 0.274 168 Y C 1.058 177.240 175.900 0.470 0.000 1.065 168 Y CA -0.026 58.327 58.100 0.420 0.000 1.273 168 Y CB 1.019 39.672 38.460 0.321 0.000 1.358 168 Y HN 0.790 nan 8.280 nan 0.000 0.585 169 G N 0.604 109.620 108.800 0.359 0.000 2.205 169 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.269 169 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.269 169 G C 1.011 176.071 174.900 0.268 0.000 0.977 169 G CA 0.268 45.490 45.100 0.204 0.000 0.652 169 G HN 0.816 nan 8.290 nan 0.000 0.539 170 G N 0.730 109.808 108.800 0.463 0.000 2.238 170 G HA2 0.393 4.351 3.960 -0.002 0.000 0.234 170 G HA3 0.393 4.351 3.960 -0.002 0.000 0.234 170 G C 0.228 175.357 174.900 0.381 0.000 1.181 170 G CA 0.989 46.350 45.100 0.435 0.000 0.871 170 G HN 1.119 nan 8.290 nan 0.000 0.490 171 D N 0.809 121.373 120.400 0.274 0.000 2.664 171 D HA 0.153 4.792 4.640 -0.002 0.000 0.292 171 D C 1.286 177.668 176.300 0.137 0.000 1.214 171 D CA -0.886 53.281 54.000 0.279 0.000 0.932 171 D CB 0.532 41.454 40.800 0.203 0.000 1.420 171 D HN 0.226 nan 8.370 nan 0.000 0.471 172 L N -0.531 120.747 121.223 0.093 0.000 2.017 172 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 172 L C 2.471 179.355 176.870 0.024 0.000 1.073 172 L CA 1.381 56.229 54.840 0.014 0.000 0.745 172 L CB -0.607 41.459 42.059 0.012 0.000 0.894 172 L HN 0.396 nan 8.230 nan 0.000 0.432 173 K N 1.006 121.420 120.400 0.025 0.000 2.113 173 K HA -0.149 4.170 4.320 -0.002 0.000 0.208 173 K C 1.867 178.455 176.600 -0.019 0.000 1.047 173 K CA 1.699 57.981 56.287 -0.007 0.000 0.928 173 K CB -0.848 31.643 32.500 -0.015 0.000 0.716 173 K HN 0.245 nan 8.250 nan 0.000 0.446 174 G N -0.019 108.785 108.800 0.007 0.000 2.421 174 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.216 174 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.216 174 G C 1.553 176.493 174.900 0.066 0.000 1.171 174 G CA 1.045 46.137 45.100 -0.015 0.000 0.775 174 G HN 0.203 nan 8.290 nan 0.000 0.543 175 V N 1.310 121.341 119.914 0.194 0.000 2.392 175 V HA -0.172 3.947 4.120 -0.002 0.000 0.249 175 V C 2.786 178.955 176.094 0.125 0.000 1.059 175 V CA 1.470 63.939 62.300 0.281 0.000 1.051 175 V CB -0.390 31.564 31.823 0.218 0.000 0.658 175 V HN 0.400 nan 8.190 nan 0.000 0.455 176 I N 0.232 120.821 120.570 0.032 0.000 2.226 176 I HA -0.222 3.946 4.170 -0.002 0.000 0.245 176 I C 2.149 178.243 176.117 -0.037 0.000 1.100 176 I CA 1.610 62.898 61.300 -0.020 0.000 1.374 176 I CB -0.535 37.437 38.000 -0.048 0.000 1.057 176 I HN 0.357 nan 8.210 nan 0.000 0.413 177 D N 0.551 120.910 120.400 -0.069 0.000 2.310 177 D HA -0.098 4.541 4.640 -0.002 0.000 0.212 177 D C 2.071 178.274 176.300 -0.161 0.000 0.965 177 D CA 0.716 54.638 54.000 -0.129 0.000 0.879 177 D CB -0.127 40.558 40.800 -0.191 0.000 0.921 177 D HN 0.254 nan 8.370 nan 0.000 0.510 178 R N 0.204 120.643 120.500 -0.101 0.000 2.254 178 R HA 0.191 4.530 4.340 -0.002 0.000 0.195 178 R C 2.390 178.759 176.300 0.115 0.000 0.957 178 R CA -0.151 55.909 56.100 -0.068 0.000 1.024 178 R CB -0.453 29.873 30.300 0.045 0.000 0.952 178 R HN 0.261 nan 8.270 nan 0.000 0.484 179 L N 1.101 122.368 121.223 0.073 0.000 2.064 179 L HA -0.222 4.117 4.340 -0.002 0.000 0.216 179 L C -0.640 176.266 176.870 0.060 0.000 1.077 179 L CA 1.966 56.837 54.840 0.052 0.000 0.766 179 L CB -1.712 40.348 42.059 0.002 0.000 0.890 179 L HN 0.097 nan 8.230 nan 0.000 0.435 180 P HA -0.244 nan 4.420 nan 0.000 0.216 180 P C 1.376 178.761 177.300 0.142 0.000 1.153 180 P CA 1.393 64.534 63.100 0.067 0.000 0.858 180 P CB -0.106 31.617 31.700 0.039 0.000 0.789 181 Y N 0.815 121.147 120.300 0.053 0.000 2.030 181 Y HA -0.235 4.313 4.550 -0.002 0.000 0.274 181 Y C 2.031 178.036 175.900 0.176 0.000 1.153 181 Y CA 1.597 59.782 58.100 0.141 0.000 1.115 181 Y CB -1.335 37.249 38.460 0.206 0.000 0.969 181 Y HN -0.217 nan 8.280 nan 0.000 0.488 182 L N 0.243 121.475 121.223 0.016 0.000 2.127 182 L HA -0.225 4.114 4.340 -0.002 0.000 0.211 182 L C 2.586 179.388 176.870 -0.113 0.000 1.089 182 L CA 1.949 56.678 54.840 -0.186 0.000 0.757 182 L CB -0.719 41.233 42.059 -0.179 0.000 0.899 182 L HN 0.358 nan 8.230 nan 0.000 0.434 183 E N 0.333 120.513 120.200 -0.034 0.000 2.150 183 E HA -0.263 4.086 4.350 -0.002 0.000 0.193 183 E C 2.100 178.695 176.600 -0.008 0.000 0.985 183 E CA 1.056 57.442 56.400 -0.024 0.000 0.814 183 E CB 0.135 29.832 29.700 -0.006 0.000 0.752 183 E HN 0.508 nan 8.360 nan 0.000 0.466 184 E N 0.211 120.428 120.200 0.028 0.000 2.112 184 E HA -0.162 4.187 4.350 -0.002 0.000 0.190 184 E C 2.206 178.811 176.600 0.008 0.000 0.979 184 E CA 0.362 56.803 56.400 0.070 0.000 0.814 184 E CB 0.016 29.827 29.700 0.186 0.000 0.762 184 E HN 0.215 nan 8.360 nan 0.000 0.460 185 L N 0.218 121.401 121.223 -0.068 0.000 2.131 185 L HA -0.016 4.323 4.340 -0.002 0.000 0.210 185 L C 1.535 178.318 176.870 -0.146 0.000 1.092 185 L CA 2.354 57.055 54.840 -0.232 0.000 0.759 185 L CB -0.237 41.646 42.059 -0.293 0.000 0.903 185 L HN 0.379 nan 8.230 nan 0.000 0.435 186 G N -1.580 107.178 108.800 -0.071 0.000 2.159 186 G HA2 -0.201 3.757 3.960 -0.002 0.000 0.227 186 G HA3 -0.201 3.757 3.960 -0.002 0.000 0.227 186 G C 0.353 175.285 174.900 0.053 0.000 0.986 186 G CA 0.269 45.375 45.100 0.009 0.000 0.651 186 G HN 0.800 nan 8.290 nan 0.000 0.523 187 V N -0.787 119.119 119.914 -0.013 0.000 3.096 187 V HA 0.718 4.837 4.120 -0.002 0.000 0.306 187 V C 1.269 177.361 176.094 -0.003 0.000 1.088 187 V CA 1.298 63.605 62.300 0.011 0.000 1.129 187 V CB 1.244 33.054 31.823 -0.022 0.000 1.014 187 V HN 0.993 nan 8.190 nan 0.000 0.486 188 T N -1.444 113.124 114.554 0.022 0.000 3.043 188 T HA 0.723 5.072 4.350 -0.002 0.000 0.272 188 T C 0.257 174.947 174.700 -0.016 0.000 0.990 188 T CA 0.405 62.502 62.100 -0.004 0.000 0.897 188 T CB 0.211 69.098 68.868 0.032 0.000 1.111 188 T HN 1.749 nan 8.240 nan 0.000 0.529 189 A N 0.891 123.717 122.820 0.009 0.000 2.574 189 A HA 0.729 5.048 4.320 -0.002 0.000 0.297 189 A C -2.102 175.468 177.584 -0.023 0.000 1.062 189 A CA -0.752 51.288 52.037 0.006 0.000 0.686 189 A CB 1.293 20.397 19.000 0.173 0.000 1.285 189 A HN 0.189 nan 8.150 nan 0.000 0.403 190 L N 1.723 122.911 121.223 -0.058 0.000 2.333 190 L HA 0.515 4.854 4.340 -0.002 0.000 0.280 190 L C -0.907 175.848 176.870 -0.191 0.000 1.004 190 L CA -0.322 54.385 54.840 -0.222 0.000 0.820 190 L CB 1.361 43.168 42.059 -0.420 0.000 1.247 190 L HN 0.687 nan 8.230 nan 0.000 0.416 191 Y N 4.494 124.604 120.300 -0.317 0.000 2.369 191 Y HA 0.617 5.165 4.550 -0.002 0.000 0.337 191 Y C -1.252 174.459 175.900 -0.316 0.000 0.961 191 Y CA -1.204 56.817 58.100 -0.132 0.000 1.186 191 Y CB 0.536 39.038 38.460 0.070 0.000 1.139 191 Y HN 0.386 nan 8.280 nan 0.000 0.494 192 F N 3.640 123.228 119.950 -0.604 0.000 2.397 192 F HA 0.464 4.989 4.527 -0.002 0.000 0.331 192 F C 1.132 176.385 175.800 -0.912 0.000 1.090 192 F CA -0.339 57.253 58.000 -0.681 0.000 1.065 192 F CB 1.500 40.227 39.000 -0.455 0.000 1.184 192 F HN 0.581 nan 8.300 nan 0.000 0.499 193 T N -0.539 113.702 114.554 -0.522 0.000 2.914 193 T HA 0.436 4.785 4.350 -0.002 0.000 0.313 193 T C -2.631 171.823 174.700 -0.410 0.000 1.137 193 T CA -2.010 59.856 62.100 -0.391 0.000 0.946 193 T CB 0.379 69.129 68.868 -0.197 0.000 1.558 193 T HN 0.172 nan 8.240 nan 0.000 0.565 194 P HA 0.239 nan 4.420 nan 0.000 0.264 194 P C 0.194 177.227 177.300 -0.445 0.000 1.193 194 P CA 0.045 62.814 63.100 -0.552 0.000 0.763 194 P CB 0.086 31.378 31.700 -0.678 0.000 0.810 195 I N -1.698 118.546 120.570 -0.543 0.000 4.442 195 I HA 0.297 4.466 4.170 -0.002 0.000 0.331 195 I C -0.054 176.054 176.117 -0.015 0.000 1.364 195 I CA -0.210 60.916 61.300 -0.291 0.000 1.207 195 I CB 0.010 37.689 38.000 -0.535 0.000 1.298 195 I HN 0.028 nan 8.210 nan 0.000 0.463 196 F N 3.319 123.209 119.950 -0.099 0.000 2.459 196 F HA 0.508 5.034 4.527 -0.002 0.000 0.346 196 F C 1.535 177.335 175.800 -0.000 0.000 1.128 196 F CA -0.809 57.166 58.000 -0.041 0.000 1.268 196 F CB 0.780 39.759 39.000 -0.035 0.000 1.161 196 F HN 0.061 nan 8.300 nan 0.000 0.583 197 A N 3.026 125.987 122.820 0.234 0.000 2.592 197 A HA 0.187 4.506 4.320 -0.002 0.000 0.250 197 A C 0.238 177.867 177.584 0.075 0.000 1.017 197 A CA 0.646 52.750 52.037 0.111 0.000 0.794 197 A CB -0.293 18.766 19.000 0.099 0.000 0.917 197 A HN 0.629 nan 8.150 nan 0.000 0.515 198 S N 3.646 119.363 115.700 0.027 0.000 2.543 198 S HA 0.645 5.114 4.470 -0.002 0.000 0.271 198 S C -2.065 172.511 174.600 -0.039 0.000 1.148 198 S CA -0.638 57.571 58.200 0.016 0.000 0.914 198 S CB 1.753 64.976 63.200 0.038 0.000 1.096 198 S HN 0.469 nan 8.310 nan 0.000 0.471 199 P HA 0.002 nan 4.420 nan 0.000 0.228 199 P C 0.768 177.968 177.300 -0.165 0.000 1.151 199 P CA 0.451 63.509 63.100 -0.070 0.000 0.770 199 P CB 0.049 31.732 31.700 -0.028 0.000 0.786 200 S N -0.800 114.774 115.700 -0.210 0.000 2.652 200 S HA 0.105 4.574 4.470 -0.002 0.000 0.267 200 S C 1.378 175.747 174.600 -0.385 0.000 1.201 200 S CA -0.419 57.513 58.200 -0.447 0.000 0.996 200 S CB 0.098 62.934 63.200 -0.608 0.000 1.054 200 S HN 0.165 nan 8.310 nan 0.000 0.561 201 H N 0.156 119.161 119.070 -0.109 0.000 2.553 201 H HA 0.080 4.635 4.556 -0.002 0.000 0.276 201 H C 1.651 177.088 175.328 0.183 0.000 0.979 201 H CA 1.362 57.515 56.048 0.174 0.000 1.268 201 H CB -0.243 29.624 29.762 0.175 0.000 1.450 201 H HN 0.867 nan 8.280 nan 0.000 0.527 202 H N 0.353 119.636 119.070 0.355 0.000 2.486 202 H HA 0.203 4.757 4.556 -0.002 0.000 0.287 202 H C 0.516 175.942 175.328 0.163 0.000 1.010 202 H CA 0.129 56.404 56.048 0.379 0.000 1.324 202 H CB 0.197 30.288 29.762 0.548 0.000 1.446 202 H HN -0.133 nan 8.280 nan 0.000 0.537 203 K N -1.075 119.560 120.400 0.392 0.000 3.291 203 K HA -0.209 4.110 4.320 -0.002 0.000 0.290 203 K C -0.681 176.012 176.600 0.155 0.000 1.235 203 K CA 0.866 57.274 56.287 0.201 0.000 0.848 203 K CB -2.795 29.737 32.500 0.054 0.000 1.295 203 K HN 0.505 nan 8.250 nan 0.000 0.497 204 Y N 0.709 121.286 120.300 0.461 0.000 2.468 204 Y HA 0.083 4.632 4.550 -0.002 0.000 0.268 204 Y C 0.454 176.454 175.900 0.167 0.000 1.177 204 Y CA 0.074 58.250 58.100 0.127 0.000 1.265 204 Y CB 0.537 38.874 38.460 -0.206 0.000 1.103 204 Y HN 0.199 nan 8.280 nan 0.000 0.522 205 D N -0.917 119.687 120.400 0.339 0.000 2.502 205 D HA 0.103 4.741 4.640 -0.002 0.000 0.301 205 D C -0.331 176.047 176.300 0.131 0.000 1.202 205 D CA -0.324 53.818 54.000 0.235 0.000 0.878 205 D CB -0.060 40.878 40.800 0.230 0.000 1.062 205 D HN -0.152 nan 8.370 nan 0.000 0.499 206 T N 0.587 115.166 114.554 0.042 0.000 2.923 206 T HA 0.267 4.616 4.350 -0.002 0.000 0.320 206 T C 1.237 175.928 174.700 -0.016 0.000 1.074 206 T CA 0.591 62.607 62.100 -0.139 0.000 1.131 206 T CB 1.292 69.704 68.868 -0.759 0.000 1.058 206 T HN 0.554 nan 8.240 nan 0.000 0.535 207 A N 1.644 124.490 122.820 0.045 0.000 2.138 207 A HA 0.369 4.688 4.320 -0.002 0.000 0.203 207 A C 0.562 178.327 177.584 0.301 0.000 1.286 207 A CA 0.016 52.169 52.037 0.194 0.000 0.929 207 A CB 0.564 19.644 19.000 0.133 0.000 0.975 207 A HN 0.724 nan 8.150 nan 0.000 0.480 208 D N -1.634 118.881 120.400 0.192 0.000 2.452 208 D HA 0.262 4.901 4.640 -0.002 0.000 0.226 208 D C -0.793 175.617 176.300 0.183 0.000 1.366 208 D CA -0.464 53.707 54.000 0.285 0.000 0.986 208 D CB 0.049 40.969 40.800 0.200 0.000 1.420 208 D HN 0.112 nan 8.370 nan 0.000 0.583 209 Y N 2.225 122.732 120.300 0.345 0.000 2.632 209 Y HA 0.124 4.673 4.550 -0.002 0.000 0.301 209 Y C 1.659 177.587 175.900 0.046 0.000 1.172 209 Y CA 0.656 58.873 58.100 0.194 0.000 1.328 209 Y CB 0.157 38.836 38.460 0.365 0.000 1.016 209 Y HN 0.418 nan 8.280 nan 0.000 0.529 210 L N -1.234 120.087 121.223 0.164 0.000 2.766 210 L HA 0.446 4.785 4.340 -0.002 0.000 0.242 210 L C 0.600 177.513 176.870 0.072 0.000 1.136 210 L CA -0.246 54.575 54.840 -0.032 0.000 0.933 210 L CB 0.304 42.142 42.059 -0.369 0.000 1.241 210 L HN -0.005 nan 8.230 nan 0.000 0.522 211 A N 0.393 123.319 122.820 0.177 0.000 2.374 211 A HA 0.685 5.004 4.320 -0.002 0.000 0.305 211 A C -0.665 177.092 177.584 0.288 0.000 1.053 211 A CA -0.513 51.655 52.037 0.218 0.000 0.726 211 A CB 1.051 20.118 19.000 0.112 0.000 1.229 211 A HN -0.010 nan 8.150 nan 0.000 0.431 212 I N 1.798 122.560 120.570 0.320 0.000 2.754 212 I HA 0.007 4.176 4.170 -0.002 0.000 0.285 212 I C 0.841 177.074 176.117 0.193 0.000 1.166 212 I CA 0.299 61.761 61.300 0.270 0.000 1.417 212 I CB 0.474 38.590 38.000 0.193 0.000 1.382 212 I HN 0.615 nan 8.210 nan 0.000 0.588 213 D N 7.944 128.459 120.400 0.191 0.000 2.434 213 D HA 0.008 4.647 4.640 -0.002 0.000 0.252 213 D C -1.711 174.563 176.300 -0.043 0.000 1.185 213 D CA -1.223 52.799 54.000 0.036 0.000 0.886 213 D CB 1.265 42.022 40.800 -0.072 0.000 1.148 213 D HN 0.240 nan 8.370 nan 0.000 0.483 214 P HA -0.168 nan 4.420 nan 0.000 0.221 214 P C 1.124 178.335 177.300 -0.148 0.000 1.141 214 P CA 0.869 63.931 63.100 -0.063 0.000 0.794 214 P CB 0.136 31.803 31.700 -0.054 0.000 0.764 215 Q N -1.846 117.757 119.800 -0.328 0.000 2.291 215 Q HA -0.116 4.223 4.340 -0.002 0.000 0.205 215 Q C 0.839 176.560 176.000 -0.465 0.000 0.970 215 Q CA 1.194 56.697 55.803 -0.500 0.000 0.876 215 Q CB -0.110 28.137 28.738 -0.818 0.000 0.935 215 Q HN 0.242 nan 8.270 nan 0.000 0.455 216 F N -1.612 118.301 119.950 -0.061 0.000 2.694 216 F HA 0.384 4.910 4.527 -0.002 0.000 0.292 216 F C 1.221 177.008 175.800 -0.021 0.000 1.121 216 F CA 0.615 58.585 58.000 -0.050 0.000 1.352 216 F CB 0.871 39.825 39.000 -0.077 0.000 1.107 216 F HN 0.117 nan 8.300 nan 0.000 0.597 217 G N -0.186 108.698 108.800 0.141 0.000 2.373 217 G HA2 0.284 4.243 3.960 -0.002 0.000 0.250 217 G HA3 0.284 4.243 3.960 -0.002 0.000 0.250 217 G C -2.117 172.846 174.900 0.106 0.000 1.304 217 G CA -0.314 44.850 45.100 0.108 0.000 0.948 217 G HN 0.063 nan 8.290 nan 0.000 0.474 218 D N -0.874 119.598 120.400 0.121 0.000 2.531 218 D HA 0.563 5.202 4.640 -0.002 0.000 0.244 218 D C 1.217 177.628 176.300 0.185 0.000 1.090 218 D CA -0.710 53.367 54.000 0.127 0.000 0.989 218 D CB 1.592 42.444 40.800 0.086 0.000 1.433 218 D HN 0.719 nan 8.370 nan 0.000 0.492 219 L N 0.610 121.948 121.223 0.192 0.000 2.042 219 L HA -0.009 4.330 4.340 -0.002 0.000 0.210 219 L C -1.109 175.886 176.870 0.209 0.000 1.076 219 L CA 2.091 57.077 54.840 0.243 0.000 0.749 219 L CB -1.562 40.609 42.059 0.186 0.000 0.893 219 L HN 0.344 nan 8.230 nan 0.000 0.432 220 P HA -0.146 nan 4.420 nan 0.000 0.215 220 P C 1.693 179.038 177.300 0.074 0.000 1.157 220 P CA 2.068 65.216 63.100 0.081 0.000 0.874 220 P CB -0.150 31.581 31.700 0.053 0.000 0.790 221 T N -1.020 113.586 114.554 0.087 0.000 2.684 221 T HA -0.191 4.158 4.350 -0.002 0.000 0.267 221 T C 1.464 176.202 174.700 0.063 0.000 1.036 221 T CA 1.230 63.366 62.100 0.060 0.000 1.148 221 T CB -1.075 67.836 68.868 0.071 0.000 0.863 221 T HN -0.007 nan 8.240 nan 0.000 0.436 222 F N 2.404 122.354 119.950 0.001 0.000 2.065 222 F HA -0.155 4.371 4.527 -0.002 0.000 0.298 222 F C 2.475 178.252 175.800 -0.039 0.000 1.112 222 F CA 1.439 59.427 58.000 -0.020 0.000 1.212 222 F CB -0.213 38.836 39.000 0.081 0.000 0.975 222 F HN -0.084 nan 8.300 nan 0.000 0.476 223 R N -0.003 120.516 120.500 0.032 0.000 2.170 223 R HA -0.212 4.127 4.340 -0.002 0.000 0.242 223 R C 2.384 178.565 176.300 -0.199 0.000 1.145 223 R CA 1.564 57.606 56.100 -0.096 0.000 0.984 223 R CB -0.586 29.716 30.300 0.003 0.000 0.869 223 R HN 0.368 nan 8.270 nan 0.000 0.455 224 R N 0.530 120.934 120.500 -0.159 0.000 2.093 224 R HA -0.067 4.272 4.340 -0.002 0.000 0.224 224 R C 2.273 178.442 176.300 -0.219 0.000 1.101 224 R CA 0.543 56.551 56.100 -0.153 0.000 0.979 224 R CB -0.174 30.073 30.300 -0.089 0.000 0.877 224 R HN 0.077 nan 8.270 nan 0.000 0.441 225 L N 0.501 121.545 121.223 -0.298 0.000 2.017 225 L HA -0.114 4.225 4.340 -0.002 0.000 0.208 225 L C 1.894 178.525 176.870 -0.398 0.000 1.073 225 L CA 1.640 56.288 54.840 -0.320 0.000 0.745 225 L CB -0.513 41.301 42.059 -0.408 0.000 0.894 225 L HN -0.015 nan 8.230 nan 0.000 0.432 226 V N 0.161 119.719 119.914 -0.593 0.000 2.469 226 V HA -0.300 3.819 4.120 -0.002 0.000 0.251 226 V C 2.218 177.919 176.094 -0.654 0.000 1.064 226 V CA 2.032 63.931 62.300 -0.669 0.000 1.066 226 V CB -0.843 30.577 31.823 -0.671 0.000 0.667 226 V HN 0.505 nan 8.190 nan 0.000 0.461 227 D N -0.820 119.347 120.400 -0.389 0.000 2.162 227 D HA -0.062 4.577 4.640 -0.002 0.000 0.205 227 D C 2.310 178.521 176.300 -0.148 0.000 0.964 227 D CA 0.667 54.525 54.000 -0.237 0.000 0.847 227 D CB -0.131 40.580 40.800 -0.147 0.000 0.988 227 D HN 0.373 nan 8.370 nan 0.000 0.480 228 E N 0.979 121.092 120.200 -0.146 0.000 2.150 228 E HA -0.071 4.278 4.350 -0.002 0.000 0.193 228 E C 2.013 178.565 176.600 -0.079 0.000 0.985 228 E CA 0.616 56.960 56.400 -0.093 0.000 0.814 228 E CB -0.182 29.465 29.700 -0.088 0.000 0.752 228 E HN 0.184 nan 8.360 nan 0.000 0.466 229 A N 1.005 123.754 122.820 -0.117 0.000 1.873 229 A HA -0.187 4.131 4.320 -0.002 0.000 0.215 229 A C 1.944 179.529 177.584 0.002 0.000 1.186 229 A CA 1.483 53.474 52.037 -0.077 0.000 0.616 229 A CB -0.916 18.017 19.000 -0.112 0.000 0.823 229 A HN 0.338 nan 8.150 nan 0.000 0.442 230 H N -0.089 118.906 119.070 -0.125 0.000 2.319 230 H HA -0.154 4.401 4.556 -0.002 0.000 0.299 230 H C 2.438 177.702 175.328 -0.106 0.000 1.092 230 H CA 1.390 57.361 56.048 -0.130 0.000 1.302 230 H CB -0.027 29.657 29.762 -0.129 0.000 1.373 230 H HN 0.585 nan 8.280 nan 0.000 0.497 231 R N 1.090 121.615 120.500 0.043 0.000 2.152 231 R HA -0.065 4.273 4.340 -0.002 0.000 0.232 231 R C 1.439 177.725 176.300 -0.022 0.000 1.117 231 R CA 1.075 57.172 56.100 -0.005 0.000 0.981 231 R CB -0.241 30.050 30.300 -0.014 0.000 0.870 231 R HN 0.214 nan 8.270 nan 0.000 0.451 232 R N 0.982 121.468 120.500 -0.023 0.000 2.449 232 R HA 0.109 4.448 4.340 -0.002 0.000 0.262 232 R C 0.161 176.433 176.300 -0.046 0.000 1.006 232 R CA 0.396 56.476 56.100 -0.032 0.000 1.104 232 R CB 0.474 30.756 30.300 -0.030 0.000 1.206 232 R HN 0.505 nan 8.270 nan 0.000 0.538 233 G N 1.733 110.501 108.800 -0.054 0.000 2.338 233 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.296 233 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.296 233 G C -0.098 174.747 174.900 -0.092 0.000 1.040 233 G CA 0.121 45.169 45.100 -0.087 0.000 1.004 233 G HN 0.328 nan 8.290 nan 0.000 0.509 234 I N -0.375 120.155 120.570 -0.066 0.000 2.478 234 I HA 0.338 4.506 4.170 -0.002 0.000 0.287 234 I C 0.328 176.424 176.117 -0.035 0.000 1.042 234 I CA -0.867 60.392 61.300 -0.070 0.000 1.067 234 I CB 1.775 39.740 38.000 -0.059 0.000 1.233 234 I HN 0.007 nan 8.210 nan 0.000 0.431 235 K N 6.082 126.386 120.400 -0.160 0.000 2.087 235 K HA 0.670 4.989 4.320 -0.002 0.000 0.255 235 K C -0.762 175.804 176.600 -0.058 0.000 0.988 235 K CA -0.651 55.526 56.287 -0.183 0.000 0.915 235 K CB 1.937 34.019 32.500 -0.697 0.000 1.043 235 K HN 0.451 nan 8.250 nan 0.000 0.457 236 I N 3.153 123.730 120.570 0.012 0.000 2.389 236 I HA 0.320 4.489 4.170 -0.002 0.000 0.288 236 I C -0.602 175.586 176.117 0.118 0.000 0.999 236 I CA -0.665 60.691 61.300 0.093 0.000 1.129 236 I CB 1.238 39.276 38.000 0.064 0.000 1.288 236 I HN 0.366 nan 8.210 nan 0.000 0.444 237 I N 7.039 127.732 120.570 0.206 0.000 2.362 237 I HA 0.409 4.578 4.170 -0.002 0.000 0.289 237 I C -0.285 175.963 176.117 0.217 0.000 0.994 237 I CA -0.482 60.952 61.300 0.224 0.000 1.158 237 I CB 1.478 39.739 38.000 0.436 0.000 1.315 237 I HN 0.307 nan 8.210 nan 0.000 0.451 238 L N 4.497 125.711 121.223 -0.014 0.000 2.352 238 L HA 0.460 4.799 4.340 -0.002 0.000 0.269 238 L C -0.053 176.854 176.870 0.061 0.000 1.034 238 L CA -0.767 54.013 54.840 -0.099 0.000 0.806 238 L CB 1.284 43.096 42.059 -0.410 0.000 1.244 238 L HN 0.521 nan 8.230 nan 0.000 0.447 239 D N 1.520 121.906 120.400 -0.025 0.000 2.347 239 D HA 0.376 5.015 4.640 -0.002 0.000 0.235 239 D C -0.581 175.734 176.300 0.025 0.000 1.149 239 D CA -0.083 53.963 54.000 0.077 0.000 0.850 239 D CB 1.721 42.526 40.800 0.008 0.000 1.061 239 D HN 0.552 nan 8.370 nan 0.000 0.487 240 A N 3.374 126.249 122.820 0.092 0.000 2.301 240 A HA 0.437 4.756 4.320 -0.002 0.000 0.298 240 A C -0.106 177.229 177.584 -0.415 0.000 1.185 240 A CA -0.573 51.319 52.037 -0.243 0.000 0.830 240 A CB 0.916 19.511 19.000 -0.676 0.000 1.112 240 A HN 0.381 nan 8.150 nan 0.000 0.508 241 V N 3.552 123.277 119.914 -0.314 0.000 2.233 241 V HA 0.187 4.306 4.120 -0.002 0.000 0.261 241 V C -0.424 175.639 176.094 -0.050 0.000 1.076 241 V CA -0.076 62.140 62.300 -0.139 0.000 1.001 241 V CB -0.760 31.099 31.823 0.061 0.000 1.206 241 V HN 0.812 nan 8.190 nan 0.000 0.468 242 F N 0.654 120.550 119.950 -0.090 0.000 2.765 242 F HA 0.145 4.671 4.527 -0.002 0.000 0.302 242 F C 1.966 177.575 175.800 -0.318 0.000 1.111 242 F CA -0.070 57.775 58.000 -0.258 0.000 1.359 242 F CB -0.760 37.979 39.000 -0.435 0.000 1.097 242 F HN 0.476 nan 8.300 nan 0.000 0.577 243 N N 0.088 118.713 118.700 -0.126 0.000 2.135 243 N HA -0.133 4.606 4.740 -0.002 0.000 0.186 243 N C 0.202 175.725 175.510 0.022 0.000 1.027 243 N CA 1.005 54.003 53.050 -0.088 0.000 0.849 243 N CB 0.069 38.530 38.487 -0.044 0.000 1.002 243 N HN 0.391 nan 8.380 nan 0.000 0.425 244 H N -1.912 117.265 119.070 0.178 0.000 2.931 244 H HA 0.817 5.372 4.556 -0.002 0.000 0.331 244 H C -1.247 174.208 175.328 0.212 0.000 1.273 244 H CA -0.793 55.380 56.048 0.207 0.000 1.171 244 H CB 1.412 31.312 29.762 0.230 0.000 1.898 244 H HN 0.118 nan 8.280 nan 0.000 0.562 245 A N -0.149 122.912 122.820 0.401 0.000 2.486 245 A HA 0.785 5.104 4.320 -0.002 0.000 0.289 245 A C 0.012 177.704 177.584 0.181 0.000 1.176 245 A CA -0.618 51.580 52.037 0.269 0.000 0.757 245 A CB 1.076 20.145 19.000 0.115 0.000 1.337 245 A HN 1.119 nan 8.150 nan 0.000 0.423 246 G N -0.519 108.359 108.800 0.130 0.000 2.425 246 G HA2 0.428 4.387 3.960 -0.002 0.000 0.302 246 G HA3 0.428 4.387 3.960 -0.002 0.000 0.302 246 G C 0.075 174.992 174.900 0.028 0.000 1.159 246 G CA 0.292 45.443 45.100 0.084 0.000 0.865 246 G HN 0.775 nan 8.290 nan 0.000 0.515 247 D N 0.243 120.615 120.400 -0.047 0.000 2.403 247 D HA -0.118 4.521 4.640 -0.002 0.000 0.227 247 D C 1.559 178.011 176.300 0.253 0.000 0.995 247 D CA 0.648 54.660 54.000 0.020 0.000 0.928 247 D CB 0.259 41.130 40.800 0.119 0.000 0.887 247 D HN 0.307 nan 8.370 nan 0.000 0.529 248 Q N -1.121 118.796 119.800 0.194 0.000 2.384 248 Q HA 0.217 4.556 4.340 -0.002 0.000 0.207 248 Q C -0.448 175.707 176.000 0.258 0.000 0.904 248 Q CA -0.418 55.497 55.803 0.187 0.000 0.933 248 Q CB -0.241 28.578 28.738 0.136 0.000 1.077 248 Q HN 0.320 nan 8.270 nan 0.000 0.522 249 F N 1.729 121.760 119.950 0.135 0.000 2.571 249 F HA -0.026 4.500 4.527 -0.002 0.000 0.390 249 F C 0.968 176.819 175.800 0.085 0.000 1.043 249 F CA -1.047 57.057 58.000 0.173 0.000 1.164 249 F CB -0.143 38.986 39.000 0.214 0.000 1.049 249 F HN 0.187 nan 8.300 nan 0.000 0.552 250 F N 5.192 124.971 119.950 -0.285 0.000 2.048 250 F HA -0.299 4.227 4.527 -0.002 0.000 0.296 250 F C 1.888 177.256 175.800 -0.720 0.000 1.109 250 F CA 1.899 59.633 58.000 -0.445 0.000 1.214 250 F CB -1.421 37.351 39.000 -0.380 0.000 0.963 250 F HN 0.420 nan 8.300 nan 0.000 0.491 251 A N -0.352 120.698 122.820 -2.950 0.000 2.032 251 A HA -0.189 4.130 4.320 -0.002 0.000 0.221 251 A C 2.135 179.160 177.584 -0.931 0.000 1.165 251 A CA 1.780 52.423 52.037 -2.324 0.000 0.645 251 A CB -1.559 16.050 19.000 -2.319 0.000 0.807 251 A HN 0.659 nan 8.150 nan 0.000 0.453 252 F N 0.003 119.509 119.950 -0.741 0.000 2.219 252 F HA 0.057 4.583 4.527 -0.002 0.000 0.294 252 F C 2.299 177.839 175.800 -0.433 0.000 1.086 252 F CA 1.053 58.709 58.000 -0.574 0.000 1.330 252 F CB -0.215 38.475 39.000 -0.516 0.000 1.047 252 F HN 0.088 nan 8.300 nan 0.000 0.495 253 R N 0.161 120.432 120.500 -0.382 0.000 2.081 253 R HA -0.200 4.139 4.340 -0.002 0.000 0.235 253 R C 2.119 178.193 176.300 -0.377 0.000 1.131 253 R CA 1.610 57.504 56.100 -0.343 0.000 0.960 253 R CB -0.861 29.345 30.300 -0.158 0.000 0.856 253 R HN 0.332 nan 8.270 nan 0.000 0.436 254 D N 0.493 120.654 120.400 -0.399 0.000 2.182 254 D HA -0.124 4.515 4.640 -0.002 0.000 0.201 254 D C 1.712 177.831 176.300 -0.301 0.000 0.986 254 D CA 0.932 54.732 54.000 -0.332 0.000 0.847 254 D CB 0.247 40.788 40.800 -0.431 0.000 0.942 254 D HN -0.002 nan 8.370 nan 0.000 0.467 255 V N 1.133 120.813 119.914 -0.390 0.000 2.216 255 V HA -0.257 3.862 4.120 -0.002 0.000 0.243 255 V C 2.918 178.817 176.094 -0.325 0.000 1.044 255 V CA 1.352 63.463 62.300 -0.316 0.000 0.995 255 V CB -0.715 30.861 31.823 -0.411 0.000 0.633 255 V HN 0.228 nan 8.190 nan 0.000 0.446 256 L N -0.370 120.559 121.223 -0.491 0.000 2.030 256 L HA -0.385 3.954 4.340 -0.002 0.000 0.222 256 L C 2.743 179.493 176.870 -0.200 0.000 1.082 256 L CA 2.273 56.910 54.840 -0.338 0.000 0.785 256 L CB -0.742 41.090 42.059 -0.379 0.000 0.895 256 L HN 0.444 nan 8.230 nan 0.000 0.439 257 Q N -0.544 119.137 119.800 -0.198 0.000 2.083 257 Q HA -0.162 4.177 4.340 -0.002 0.000 0.198 257 Q C 1.971 177.894 176.000 -0.129 0.000 0.969 257 Q CA 1.197 56.917 55.803 -0.139 0.000 0.838 257 Q CB 0.004 28.666 28.738 -0.126 0.000 0.900 257 Q HN 0.504 nan 8.270 nan 0.000 0.436 258 K N -0.093 120.219 120.400 -0.146 0.000 2.393 258 K HA 0.128 4.447 4.320 -0.002 0.000 0.193 258 K C 0.999 177.486 176.600 -0.188 0.000 1.026 258 K CA 0.438 56.643 56.287 -0.137 0.000 1.064 258 K CB 0.678 33.111 32.500 -0.112 0.000 0.833 258 K HN 0.257 nan 8.250 nan 0.000 0.521 259 G N 2.789 111.457 108.800 -0.220 0.000 2.596 259 G HA2 -0.412 3.546 3.960 -0.002 0.000 0.295 259 G HA3 -0.412 3.546 3.960 -0.002 0.000 0.295 259 G C 0.463 175.023 174.900 -0.567 0.000 1.240 259 G CA 0.539 45.423 45.100 -0.360 0.000 0.985 259 G HN 0.452 nan 8.290 nan 0.000 0.555 260 E N 0.333 119.969 120.200 -0.939 0.000 2.520 260 E HA 0.062 4.411 4.350 -0.002 0.000 0.201 260 E C 1.984 178.390 176.600 -0.323 0.000 1.122 260 E CA 0.772 56.681 56.400 -0.818 0.000 0.896 260 E CB -0.052 29.149 29.700 -0.830 0.000 0.891 260 E HN 0.406 nan 8.360 nan 0.000 0.533 261 Q N -0.655 118.994 119.800 -0.253 0.000 2.281 261 Q HA 0.158 4.497 4.340 -0.002 0.000 0.215 261 Q C 0.021 175.959 176.000 -0.103 0.000 0.867 261 Q CA -0.060 55.657 55.803 -0.144 0.000 0.940 261 Q CB 1.102 29.765 28.738 -0.125 0.000 1.111 261 Q HN 0.012 nan 8.270 nan 0.000 0.513 262 S N 0.432 116.068 115.700 -0.106 0.000 2.531 262 S HA 0.105 4.574 4.470 -0.002 0.000 0.279 262 S C 0.645 175.234 174.600 -0.019 0.000 1.305 262 S CA -0.370 57.810 58.200 -0.034 0.000 1.058 262 S CB 0.535 63.712 63.200 -0.037 0.000 0.899 262 S HN 0.141 nan 8.310 nan 0.000 0.493 263 R N 3.440 123.920 120.500 -0.034 0.000 2.535 263 R HA 0.098 4.437 4.340 -0.002 0.000 0.233 263 R C -0.811 175.076 176.300 -0.689 0.000 1.202 263 R CA 0.440 56.367 56.100 -0.288 0.000 1.205 263 R CB -1.020 29.062 30.300 -0.363 0.000 1.153 263 R HN 0.830 nan 8.270 nan 0.000 0.512 264 Y N -1.695 118.459 120.300 -0.243 0.000 2.729 264 Y HA 0.073 4.621 4.550 -0.002 0.000 0.266 264 Y C 1.499 177.428 175.900 0.049 0.000 1.064 264 Y CA -0.468 57.397 58.100 -0.393 0.000 1.251 264 Y CB 0.317 38.378 38.460 -0.666 0.000 1.379 264 Y HN 0.038 nan 8.280 nan 0.000 0.569 265 K N -0.137 120.392 120.400 0.215 0.000 2.286 265 K HA -0.163 4.156 4.320 -0.002 0.000 0.203 265 K C 0.327 177.137 176.600 0.350 0.000 1.045 265 K CA 2.078 58.561 56.287 0.327 0.000 0.935 265 K CB -0.060 32.621 32.500 0.302 0.000 0.737 265 K HN 0.127 nan 8.250 nan 0.000 0.460 266 D N -0.464 120.097 120.400 0.270 0.000 2.328 266 D HA -0.008 4.631 4.640 -0.002 0.000 0.221 266 D C 0.364 176.750 176.300 0.143 0.000 1.072 266 D CA 0.250 54.358 54.000 0.179 0.000 0.850 266 D CB 0.033 40.903 40.800 0.117 0.000 0.922 266 D HN 0.360 nan 8.370 nan 0.000 0.516 267 W N 0.068 121.276 121.300 -0.154 0.000 3.139 267 W HA 0.165 4.824 4.660 -0.002 0.000 0.260 267 W C 0.165 176.077 176.519 -1.011 0.000 1.312 267 W CA -0.091 56.919 57.345 -0.558 0.000 1.606 267 W CB -0.065 29.035 29.460 -0.601 0.000 1.118 267 W HN -0.193 nan 8.180 nan 0.000 0.675 268 F N -2.241 117.766 119.950 0.095 0.000 2.692 268 F HA 0.399 4.925 4.527 -0.002 0.000 0.320 268 F C -0.673 175.020 175.800 -0.178 0.000 1.123 268 F CA -1.804 56.186 58.000 -0.015 0.000 0.961 268 F CB 0.280 39.419 39.000 0.232 0.000 1.383 268 F HN -0.517 nan 8.300 nan 0.000 0.483 269 F N 2.382 122.564 119.950 0.386 0.000 2.395 269 F HA 0.445 4.971 4.527 -0.002 0.000 0.347 269 F C -0.205 175.742 175.800 0.244 0.000 1.157 269 F CA -0.312 57.836 58.000 0.247 0.000 1.272 269 F CB -0.193 38.921 39.000 0.190 0.000 1.607 269 F HN 0.032 nan 8.300 nan 0.000 0.571 270 I N 1.989 122.741 120.570 0.303 0.000 2.325 270 I HA 0.163 4.332 4.170 -0.002 0.000 0.291 270 I C 0.955 177.051 176.117 -0.036 0.000 1.019 270 I CA -0.152 61.246 61.300 0.163 0.000 1.302 270 I CB 1.115 39.167 38.000 0.086 0.000 1.401 270 I HN 0.529 nan 8.210 nan 0.000 0.485 271 E N 4.399 124.581 120.200 -0.030 0.000 1.994 271 E HA -0.118 4.231 4.350 -0.002 0.000 0.197 271 E C -0.206 176.252 176.600 -0.236 0.000 0.982 271 E CA 0.974 57.328 56.400 -0.077 0.000 0.855 271 E CB 0.041 29.724 29.700 -0.030 0.000 0.806 271 E HN 0.793 nan 8.360 nan 0.000 0.495 272 D N -1.003 119.264 120.400 -0.222 0.000 2.384 272 D HA 0.375 5.014 4.640 -0.002 0.000 0.250 272 D C -0.880 175.219 176.300 -0.336 0.000 1.029 272 D CA -0.626 53.227 54.000 -0.245 0.000 0.990 272 D CB 0.650 41.409 40.800 -0.067 0.000 1.175 272 D HN -0.078 nan 8.370 nan 0.000 0.532 273 F N -0.572 119.412 119.950 0.057 0.000 2.523 273 F HA 0.500 5.025 4.527 -0.002 0.000 0.329 273 F C -1.634 174.187 175.800 0.035 0.000 1.061 273 F CA -1.891 56.138 58.000 0.049 0.000 0.967 273 F CB 0.752 39.774 39.000 0.037 0.000 1.218 273 F HN 0.264 nan 8.300 nan 0.000 0.480 274 P HA 0.250 nan 4.420 nan 0.000 0.276 274 P C -1.013 176.456 177.300 0.283 0.000 1.261 274 P CA -0.365 62.912 63.100 0.295 0.000 0.800 274 P CB 0.923 32.703 31.700 0.133 0.000 1.066 275 V N 1.283 121.378 119.914 0.303 0.000 2.434 275 V HA -0.012 4.107 4.120 -0.002 0.000 0.281 275 V C 1.251 177.479 176.094 0.223 0.000 1.005 275 V CA -0.044 62.421 62.300 0.274 0.000 1.089 275 V CB -0.889 31.030 31.823 0.160 0.000 0.978 275 V HN 0.752 nan 8.190 nan 0.000 0.474 276 S N 4.566 120.393 115.700 0.213 0.000 2.575 276 S HA 0.060 4.528 4.470 -0.002 0.000 0.295 276 S C 0.462 175.174 174.600 0.188 0.000 1.267 276 S CA -0.206 58.075 58.200 0.135 0.000 1.074 276 S CB 0.118 63.334 63.200 0.026 0.000 0.829 276 S HN 0.792 nan 8.310 nan 0.000 0.497 277 K N 1.996 122.473 120.400 0.128 0.000 2.399 277 K HA 0.150 4.468 4.320 -0.002 0.000 0.204 277 K C 0.093 176.751 176.600 0.096 0.000 1.023 277 K CA -0.106 56.258 56.287 0.128 0.000 1.127 277 K CB 0.477 33.029 32.500 0.086 0.000 0.856 277 K HN 0.604 nan 8.250 nan 0.000 0.514 278 T N -0.447 114.151 114.554 0.073 0.000 2.910 278 T HA 0.097 4.446 4.350 -0.002 0.000 0.279 278 T C 1.289 176.013 174.700 0.040 0.000 0.989 278 T CA -0.610 61.519 62.100 0.048 0.000 0.968 278 T CB 1.595 70.481 68.868 0.029 0.000 1.135 278 T HN -0.147 nan 8.240 nan 0.000 0.562 279 S N 0.383 116.100 115.700 0.029 0.000 2.447 279 S HA -0.021 4.448 4.470 -0.002 0.000 0.233 279 S C 1.342 175.936 174.600 -0.011 0.000 1.006 279 S CA 0.575 58.788 58.200 0.022 0.000 0.957 279 S CB -0.102 63.112 63.200 0.024 0.000 0.773 279 S HN 0.314 nan 8.310 nan 0.000 0.507 280 R N 4.287 124.776 120.500 -0.019 0.000 2.609 280 R HA 0.033 4.372 4.340 -0.002 0.000 0.271 280 R C -0.567 175.671 176.300 -0.103 0.000 1.403 280 R CA 0.105 56.177 56.100 -0.046 0.000 1.138 280 R CB -1.268 29.017 30.300 -0.025 0.000 1.142 280 R HN 0.280 nan 8.270 nan 0.000 0.559 281 T N 0.849 115.293 114.554 -0.183 0.000 2.853 281 T HA 0.006 4.355 4.350 -0.002 0.000 0.298 281 T C 1.031 175.515 174.700 -0.361 0.000 0.978 281 T CA -0.435 61.404 62.100 -0.434 0.000 1.152 281 T CB 0.790 69.329 68.868 -0.548 0.000 0.914 281 T HN 0.498 nan 8.240 nan 0.000 0.539 282 N N 1.684 120.167 118.700 -0.363 0.000 2.254 282 N HA 0.048 4.787 4.740 -0.002 0.000 0.190 282 N C -0.283 175.200 175.510 -0.046 0.000 1.107 282 N CA -0.498 52.471 53.050 -0.135 0.000 0.869 282 N CB 0.058 38.529 38.487 -0.026 0.000 0.983 282 N HN 0.827 nan 8.380 nan 0.000 0.487 283 Y N -0.936 119.429 120.300 0.108 0.000 2.487 283 Y HA 0.529 5.078 4.550 -0.002 0.000 0.337 283 Y C 0.053 176.052 175.900 0.165 0.000 1.076 283 Y CA -2.026 56.171 58.100 0.162 0.000 1.115 283 Y CB 0.213 38.817 38.460 0.239 0.000 1.235 283 Y HN -0.055 nan 8.280 nan 0.000 0.468 284 E N 1.298 121.766 120.200 0.446 0.000 2.324 284 E HA 0.315 4.664 4.350 -0.002 0.000 0.271 284 E C -0.697 176.147 176.600 0.408 0.000 1.028 284 E CA -0.012 56.577 56.400 0.315 0.000 0.890 284 E CB 0.660 30.501 29.700 0.235 0.000 1.004 284 E HN 0.855 nan 8.360 nan 0.000 0.431 285 T N 3.202 117.911 114.554 0.258 0.000 2.887 285 T HA 0.326 4.675 4.350 -0.002 0.000 0.292 285 T C -0.883 173.919 174.700 0.170 0.000 1.087 285 T CA -0.819 61.441 62.100 0.267 0.000 1.009 285 T CB 0.415 69.447 68.868 0.273 0.000 1.203 285 T HN 0.442 nan 8.240 nan 0.000 0.518 286 F N 3.197 123.146 119.950 -0.001 0.000 2.602 286 F HA 0.432 4.957 4.527 -0.002 0.000 0.367 286 F C 0.942 176.724 175.800 -0.030 0.000 1.126 286 F CA 0.964 58.933 58.000 -0.052 0.000 1.321 286 F CB -0.375 38.417 39.000 -0.346 0.000 1.094 286 F HN 1.204 nan 8.300 nan 0.000 0.594 287 A N 2.609 124.862 122.820 -0.944 0.000 5.920 287 A HA -0.241 4.078 4.320 -0.002 0.000 0.295 287 A C -0.263 177.184 177.584 -0.228 0.000 1.933 287 A CA 0.676 52.330 52.037 -0.638 0.000 0.728 287 A CB -2.222 16.414 19.000 -0.606 0.000 1.235 287 A HN 1.456 nan 8.150 nan 0.000 0.386 288 V N 0.095 119.930 119.914 -0.131 0.000 2.338 288 V HA 0.445 4.563 4.120 -0.002 0.000 0.255 288 V C 0.573 176.656 176.094 -0.019 0.000 1.082 288 V CA 0.889 63.151 62.300 -0.063 0.000 0.951 288 V CB -0.196 31.599 31.823 -0.046 0.000 1.102 288 V HN 0.871 nan 8.190 nan 0.000 0.489 289 Q N 2.237 122.027 119.800 -0.017 0.000 2.391 289 Q HA -0.144 4.195 4.340 -0.002 0.000 0.351 289 Q C -0.577 175.447 176.000 0.040 0.000 1.308 289 Q CA 0.259 56.058 55.803 -0.006 0.000 1.007 289 Q CB -0.389 28.333 28.738 -0.027 0.000 1.115 289 Q HN 0.700 nan 8.270 nan 0.000 0.302 290 V N 3.743 123.708 119.914 0.086 0.000 2.315 290 V HA 0.112 4.231 4.120 -0.002 0.000 0.265 290 V C -1.070 175.119 176.094 0.158 0.000 1.019 290 V CA -0.801 61.577 62.300 0.130 0.000 0.824 290 V CB 1.245 33.183 31.823 0.190 0.000 1.072 290 V HN 0.462 nan 8.190 nan 0.000 0.448 291 P HA -0.246 nan 4.420 nan 0.000 0.219 291 P C 1.316 178.780 177.300 0.273 0.000 1.145 291 P CA 1.826 65.087 63.100 0.269 0.000 0.813 291 P CB 0.459 32.273 31.700 0.192 0.000 0.771 292 A N -1.070 121.849 122.820 0.164 0.000 2.067 292 A HA 0.064 4.383 4.320 -0.002 0.000 0.217 292 A C 1.622 179.228 177.584 0.037 0.000 1.156 292 A CA 0.698 52.799 52.037 0.107 0.000 0.683 292 A CB -0.649 18.425 19.000 0.123 0.000 0.808 292 A HN 0.198 nan 8.150 nan 0.000 0.455 293 M N 1.712 121.330 119.600 0.029 0.000 2.386 293 M HA 0.256 4.735 4.480 -0.002 0.000 0.245 293 M C -2.853 173.457 176.300 0.018 0.000 0.982 293 M CA -1.827 53.443 55.300 -0.050 0.000 0.860 293 M CB 1.722 34.135 32.600 -0.311 0.000 1.371 293 M HN -0.025 nan 8.290 nan 0.000 0.425 294 P HA 0.075 nan 4.420 nan 0.000 0.271 294 P C -0.784 176.688 177.300 0.288 0.000 1.216 294 P CA -0.104 62.968 63.100 -0.048 0.000 0.771 294 P CB 0.905 32.055 31.700 -0.917 0.000 0.864 295 K N 3.607 124.276 120.400 0.448 0.000 2.382 295 K HA 0.162 4.481 4.320 -0.002 0.000 0.275 295 K C -0.367 176.561 176.600 0.547 0.000 1.009 295 K CA -0.272 56.334 56.287 0.532 0.000 0.970 295 K CB 0.021 32.843 32.500 0.536 0.000 0.934 295 K HN 0.464 nan 8.250 nan 0.000 0.479 296 L N 4.925 126.345 121.223 0.329 0.000 2.275 296 L HA 0.314 4.652 4.340 -0.002 0.000 0.288 296 L C 0.567 177.398 176.870 -0.065 0.000 1.046 296 L CA -0.553 54.296 54.840 0.014 0.000 0.805 296 L CB 1.208 43.222 42.059 -0.076 0.000 1.193 296 L HN 0.623 nan 8.230 nan 0.000 0.426 297 R N 1.728 122.010 120.500 -0.363 0.000 2.853 297 R HA 0.013 4.352 4.340 -0.002 0.000 0.238 297 R C 1.060 177.165 176.300 -0.326 0.000 1.538 297 R CA 0.068 55.906 56.100 -0.436 0.000 1.166 297 R CB 0.099 29.959 30.300 -0.732 0.000 1.201 297 R HN 0.791 nan 8.270 nan 0.000 0.606 298 T N -0.719 113.703 114.554 -0.220 0.000 3.098 298 T HA -0.058 4.290 4.350 -0.002 0.000 0.266 298 T C 1.012 175.640 174.700 -0.120 0.000 1.145 298 T CA 0.806 62.754 62.100 -0.253 0.000 1.092 298 T CB 0.044 68.617 68.868 -0.492 0.000 0.908 298 T HN 0.595 nan 8.240 nan 0.000 0.526 299 E N 1.185 121.324 120.200 -0.102 0.000 2.216 299 E HA 0.029 4.378 4.350 -0.002 0.000 0.192 299 E C 0.833 177.353 176.600 -0.133 0.000 0.988 299 E CA -0.108 56.253 56.400 -0.066 0.000 0.834 299 E CB 0.019 29.715 29.700 -0.006 0.000 0.772 299 E HN 0.410 nan 8.360 nan 0.000 0.479 300 N N 1.803 120.373 118.700 -0.216 0.000 2.452 300 N HA -0.027 4.712 4.740 -0.002 0.000 0.266 300 N C -1.595 173.726 175.510 -0.314 0.000 1.209 300 N CA -1.319 51.569 53.050 -0.270 0.000 0.929 300 N CB 1.147 39.402 38.487 -0.387 0.000 1.063 300 N HN -0.108 nan 8.380 nan 0.000 0.472 301 P HA -0.176 nan 4.420 nan 0.000 0.215 301 P C 0.614 177.726 177.300 -0.313 0.000 1.157 301 P CA 1.514 64.458 63.100 -0.261 0.000 0.874 301 P CB 0.402 31.999 31.700 -0.171 0.000 0.790 302 E N -0.308 119.714 120.200 -0.297 0.000 2.085 302 E HA -0.113 4.236 4.350 -0.002 0.000 0.194 302 E C 2.185 178.431 176.600 -0.589 0.000 0.994 302 E CA 1.085 57.318 56.400 -0.278 0.000 0.801 302 E CB -0.520 29.128 29.700 -0.087 0.000 0.743 302 E HN 0.077 nan 8.360 nan 0.000 0.453 303 V N 1.529 120.882 119.914 -0.934 0.000 2.307 303 V HA -0.260 3.859 4.120 -0.002 0.000 0.245 303 V C 2.387 178.163 176.094 -0.529 0.000 1.045 303 V CA 1.724 63.410 62.300 -1.024 0.000 1.024 303 V CB -0.453 30.814 31.823 -0.927 0.000 0.651 303 V HN 0.211 nan 8.190 nan 0.000 0.449 304 K N -0.012 120.099 120.400 -0.483 0.000 2.044 304 K HA -0.303 4.015 4.320 -0.002 0.000 0.210 304 K C 2.205 178.273 176.600 -0.886 0.000 1.049 304 K CA 2.270 58.171 56.287 -0.644 0.000 0.927 304 K CB -0.128 31.904 32.500 -0.780 0.000 0.713 304 K HN 0.384 nan 8.250 nan 0.000 0.443 305 E N -0.256 119.605 120.200 -0.565 0.000 2.106 305 E HA -0.189 4.160 4.350 -0.002 0.000 0.192 305 E C 1.771 178.317 176.600 -0.090 0.000 0.984 305 E CA 1.206 57.419 56.400 -0.312 0.000 0.806 305 E CB -0.347 29.263 29.700 -0.149 0.000 0.750 305 E HN 0.428 nan 8.360 nan 0.000 0.458 306 Y N 0.467 120.668 120.300 -0.165 0.000 2.133 306 Y HA -0.139 4.409 4.550 -0.002 0.000 0.287 306 Y C 1.846 177.722 175.900 -0.040 0.000 1.134 306 Y CA 1.787 59.896 58.100 0.015 0.000 1.133 306 Y CB -0.248 38.308 38.460 0.160 0.000 0.987 306 Y HN 0.014 nan 8.280 nan 0.000 0.502 307 L N -0.856 120.335 121.223 -0.053 0.000 2.127 307 L HA -0.250 4.088 4.340 -0.002 0.000 0.211 307 L C 2.364 179.116 176.870 -0.196 0.000 1.089 307 L CA 1.399 56.036 54.840 -0.338 0.000 0.757 307 L CB -0.732 41.010 42.059 -0.528 0.000 0.899 307 L HN 0.318 nan 8.230 nan 0.000 0.434 308 F N -0.021 119.758 119.950 -0.285 0.000 2.259 308 F HA -0.199 4.326 4.527 -0.002 0.000 0.298 308 F C 2.304 178.054 175.800 -0.084 0.000 1.088 308 F CA 0.276 58.169 58.000 -0.178 0.000 1.358 308 F CB -0.004 38.885 39.000 -0.185 0.000 1.040 308 F HN 0.163 nan 8.300 nan 0.000 0.505 309 D N -0.005 120.440 120.400 0.076 0.000 2.224 309 D HA -0.104 4.535 4.640 -0.002 0.000 0.205 309 D C 2.322 178.655 176.300 0.056 0.000 0.965 309 D CA 0.786 54.803 54.000 0.028 0.000 0.852 309 D CB -0.045 40.720 40.800 -0.058 0.000 0.947 309 D HN 0.085 nan 8.370 nan 0.000 0.494 310 V N 1.441 121.364 119.914 0.014 0.000 2.358 310 V HA -0.215 3.904 4.120 -0.002 0.000 0.246 310 V C 2.562 178.985 176.094 0.547 0.000 1.047 310 V CA 1.681 64.127 62.300 0.243 0.000 1.035 310 V CB -0.634 31.341 31.823 0.253 0.000 0.658 310 V HN 0.150 nan 8.190 nan 0.000 0.452 311 A N 0.056 123.120 122.820 0.406 0.000 1.877 311 A HA -0.219 4.100 4.320 -0.002 0.000 0.216 311 A C 2.390 180.282 177.584 0.513 0.000 1.186 311 A CA 1.798 54.142 52.037 0.510 0.000 0.620 311 A CB -0.499 18.637 19.000 0.227 0.000 0.822 311 A HN 0.483 nan 8.150 nan 0.000 0.443 312 R N -1.822 118.849 120.500 0.285 0.000 2.080 312 R HA -0.155 4.184 4.340 -0.002 0.000 0.236 312 R C 2.098 178.528 176.300 0.217 0.000 1.137 312 R CA 1.735 57.959 56.100 0.206 0.000 0.943 312 R CB -0.704 29.674 30.300 0.131 0.000 0.846 312 R HN 0.619 nan 8.270 nan 0.000 0.431 313 F N 0.286 120.259 119.950 0.038 0.000 2.025 313 F HA -0.300 4.226 4.527 -0.002 0.000 0.297 313 F C 1.908 177.626 175.800 -0.138 0.000 1.132 313 F CA 1.743 59.656 58.000 -0.144 0.000 1.191 313 F CB -0.401 38.389 39.000 -0.350 0.000 0.963 313 F HN 0.046 nan 8.300 nan 0.000 0.481 314 W N 0.250 121.629 121.300 0.133 0.000 2.387 314 W HA -0.200 4.459 4.660 -0.002 0.000 0.272 314 W C 2.261 178.815 176.519 0.058 0.000 1.224 314 W CA 0.856 58.229 57.345 0.046 0.000 1.210 314 W CB -0.365 29.319 29.460 0.373 0.000 1.125 314 W HN 0.081 nan 8.180 nan 0.000 0.572 315 M N -0.626 119.179 119.600 0.341 0.000 2.558 315 M HA -0.062 4.416 4.480 -0.002 0.000 0.255 315 M C 1.537 177.899 176.300 0.103 0.000 1.113 315 M CA 1.137 56.585 55.300 0.247 0.000 1.097 315 M CB -0.227 32.558 32.600 0.308 0.000 1.426 315 M HN 0.048 nan 8.290 nan 0.000 0.488 316 E N 0.179 120.376 120.200 -0.005 0.000 2.158 316 E HA -0.144 4.205 4.350 -0.002 0.000 0.191 316 E C 1.920 178.478 176.600 -0.070 0.000 0.982 316 E CA 0.684 57.050 56.400 -0.058 0.000 0.823 316 E CB 0.243 29.866 29.700 -0.129 0.000 0.766 316 E HN 0.385 nan 8.360 nan 0.000 0.468 317 Q N -0.744 118.996 119.800 -0.101 0.000 2.364 317 Q HA -0.073 4.266 4.340 -0.002 0.000 0.209 317 Q C 1.320 177.344 176.000 0.041 0.000 0.977 317 Q CA 1.243 57.046 55.803 -0.000 0.000 0.885 317 Q CB 0.210 29.073 28.738 0.209 0.000 0.941 317 Q HN 0.435 nan 8.270 nan 0.000 0.464 318 G N 1.100 109.938 108.800 0.063 0.000 2.134 318 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.209 318 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.209 318 G C 0.341 175.294 174.900 0.089 0.000 0.993 318 G CA 0.219 45.361 45.100 0.070 0.000 0.669 318 G HN 0.443 nan 8.290 nan 0.000 0.519 319 I N -3.009 117.619 120.570 0.096 0.000 3.437 319 I HA 0.501 4.670 4.170 -0.002 0.000 0.274 319 I C 0.560 176.709 176.117 0.054 0.000 1.215 319 I CA 0.102 61.433 61.300 0.052 0.000 1.215 319 I CB 0.498 38.489 38.000 -0.015 0.000 1.441 319 I HN -0.072 nan 8.210 nan 0.000 0.677 320 D N 0.932 121.350 120.400 0.029 0.000 2.500 320 D HA 0.331 4.969 4.640 -0.002 0.000 0.217 320 D C 0.479 176.899 176.300 0.199 0.000 1.159 320 D CA 0.269 54.312 54.000 0.071 0.000 0.828 320 D CB 1.535 42.277 40.800 -0.097 0.000 1.039 320 D HN 0.869 nan 8.370 nan 0.000 0.512 321 G N 0.187 109.032 108.800 0.074 0.000 2.428 321 G HA2 0.412 4.371 3.960 -0.002 0.000 0.304 321 G HA3 0.412 4.371 3.960 -0.002 0.000 0.304 321 G C -2.268 172.591 174.900 -0.068 0.000 1.303 321 G CA -0.932 44.273 45.100 0.174 0.000 0.825 321 G HN 0.009 nan 8.290 nan 0.000 0.484 322 W N -0.514 120.916 121.300 0.216 0.000 3.217 322 W HA 0.736 5.395 4.660 -0.002 0.000 0.323 322 W C -0.105 176.399 176.519 -0.026 0.000 1.216 322 W CA -0.842 56.602 57.345 0.165 0.000 1.194 322 W CB 2.127 31.753 29.460 0.276 0.000 1.397 322 W HN 0.458 nan 8.180 nan 0.000 0.537 323 R N 3.171 123.781 120.500 0.182 0.000 2.275 323 R HA 0.475 4.813 4.340 -0.002 0.000 0.326 323 R C -0.936 175.272 176.300 -0.153 0.000 0.973 323 R CA -0.606 55.410 56.100 -0.141 0.000 0.854 323 R CB 0.565 30.772 30.300 -0.155 0.000 1.156 323 R HN 0.645 nan 8.270 nan 0.000 0.487 324 L N 4.410 125.391 121.223 -0.404 0.000 2.385 324 L HA 0.154 4.492 4.340 -0.002 0.000 0.281 324 L C 0.728 177.346 176.870 -0.419 0.000 1.106 324 L CA -0.142 54.405 54.840 -0.489 0.000 0.856 324 L CB 0.163 41.654 42.059 -0.948 0.000 1.186 324 L HN 0.421 nan 8.230 nan 0.000 0.453 325 N N 3.709 122.270 118.700 -0.231 0.000 2.401 325 N HA 0.110 4.849 4.740 -0.002 0.000 0.255 325 N C 0.350 175.774 175.510 -0.143 0.000 1.110 325 N CA -0.042 52.926 53.050 -0.137 0.000 0.949 325 N CB 1.200 39.718 38.487 0.050 0.000 1.110 325 N HN 0.495 nan 8.380 nan 0.000 0.490 326 V N 2.565 122.365 119.914 -0.189 0.000 4.830 326 V HA -0.326 3.793 4.120 -0.002 0.000 0.274 326 V C 1.753 177.774 176.094 -0.122 0.000 0.408 326 V CA 0.992 63.224 62.300 -0.113 0.000 0.793 326 V CB -2.596 29.283 31.823 0.094 0.000 0.740 326 V HN 0.790 nan 8.190 nan 0.000 1.375 327 A N 1.315 123.966 122.820 -0.282 0.000 1.927 327 A HA -0.302 4.017 4.320 -0.002 0.000 0.220 327 A C 1.792 179.345 177.584 -0.051 0.000 1.185 327 A CA 2.585 54.483 52.037 -0.231 0.000 0.639 327 A CB -0.769 17.703 19.000 -0.879 0.000 0.820 327 A HN 1.211 nan 8.150 nan 0.000 0.451 328 N N -1.023 117.465 118.700 -0.352 0.000 2.609 328 N HA -0.097 4.642 4.740 -0.002 0.000 0.190 328 N C 0.925 176.514 175.510 0.132 0.000 1.157 328 N CA 0.977 53.880 53.050 -0.246 0.000 0.918 328 N CB -0.141 38.085 38.487 -0.435 0.000 0.978 328 N HN 0.660 nan 8.380 nan 0.000 0.448 329 E N 0.222 120.491 120.200 0.114 0.000 2.501 329 E HA 0.150 4.499 4.350 -0.002 0.000 0.201 329 E C -0.740 175.929 176.600 0.116 0.000 1.016 329 E CA -0.259 56.214 56.400 0.122 0.000 0.920 329 E CB 1.003 30.755 29.700 0.086 0.000 1.023 329 E HN 0.145 nan 8.360 nan 0.000 0.474 330 V N 2.883 122.898 119.914 0.168 0.000 2.581 330 V HA 0.061 4.180 4.120 -0.002 0.000 0.303 330 V C 0.183 176.309 176.094 0.054 0.000 1.041 330 V CA -1.143 61.154 62.300 -0.006 0.000 0.907 330 V CB 1.652 33.333 31.823 -0.236 0.000 0.994 330 V HN 0.199 nan 8.190 nan 0.000 0.442 331 D N 2.033 122.416 120.400 -0.028 0.000 2.400 331 D HA -0.053 4.585 4.640 -0.002 0.000 0.238 331 D C 0.586 176.947 176.300 0.102 0.000 1.157 331 D CA 0.007 54.048 54.000 0.068 0.000 0.889 331 D CB 1.057 41.906 40.800 0.081 0.000 1.199 331 D HN 0.626 nan 8.370 nan 0.000 0.436 332 H N 1.009 120.206 119.070 0.211 0.000 2.423 332 H HA -0.005 4.550 4.556 -0.002 0.000 0.297 332 H C 2.119 177.552 175.328 0.175 0.000 1.075 332 H CA 1.930 58.114 56.048 0.227 0.000 1.342 332 H CB -0.064 29.733 29.762 0.058 0.000 1.395 332 H HN 0.641 nan 8.280 nan 0.000 0.530 333 A N 0.642 123.596 122.820 0.224 0.000 1.883 333 A HA -0.227 4.092 4.320 -0.002 0.000 0.217 333 A C 2.108 179.777 177.584 0.141 0.000 1.186 333 A CA 1.591 53.711 52.037 0.139 0.000 0.624 333 A CB -1.021 18.025 19.000 0.076 0.000 0.822 333 A HN 0.440 nan 8.150 nan 0.000 0.444 334 F N -0.800 119.113 119.950 -0.060 0.000 2.065 334 F HA -0.225 4.301 4.527 -0.002 0.000 0.298 334 F C 2.086 177.901 175.800 0.026 0.000 1.112 334 F CA 1.936 59.843 58.000 -0.154 0.000 1.212 334 F CB -0.567 38.124 39.000 -0.515 0.000 0.975 334 F HN 0.436 nan 8.300 nan 0.000 0.476 335 W N 0.052 121.677 121.300 0.541 0.000 2.402 335 W HA -0.070 4.588 4.660 -0.002 0.000 0.286 335 W C 2.667 179.373 176.519 0.312 0.000 1.221 335 W CA 0.656 58.295 57.345 0.489 0.000 1.257 335 W CB -0.411 29.261 29.460 0.354 0.000 1.120 335 W HN -0.172 nan 8.180 nan 0.000 0.551 336 R N 0.496 121.230 120.500 0.389 0.000 2.092 336 R HA -0.134 4.205 4.340 -0.002 0.000 0.231 336 R C 1.837 178.225 176.300 0.148 0.000 1.119 336 R CA 1.576 57.801 56.100 0.208 0.000 0.970 336 R CB -0.261 30.115 30.300 0.127 0.000 0.864 336 R HN 0.276 nan 8.270 nan 0.000 0.440 337 E N -0.500 119.790 120.200 0.151 0.000 2.112 337 E HA -0.153 4.196 4.350 -0.002 0.000 0.190 337 E C 1.537 178.108 176.600 -0.048 0.000 0.979 337 E CA 0.655 57.108 56.400 0.087 0.000 0.814 337 E CB -0.071 29.732 29.700 0.172 0.000 0.762 337 E HN 0.177 nan 8.360 nan 0.000 0.460 338 F N 2.037 121.906 119.950 -0.134 0.000 2.126 338 F HA -0.204 4.322 4.527 -0.002 0.000 0.299 338 F C 2.308 178.029 175.800 -0.131 0.000 1.096 338 F CA 1.667 59.471 58.000 -0.325 0.000 1.255 338 F CB -0.052 39.078 39.000 0.216 0.000 0.997 338 F HN -0.196 nan 8.300 nan 0.000 0.479 339 R N 0.305 120.806 120.500 0.002 0.000 2.066 339 R HA -0.173 4.166 4.340 -0.002 0.000 0.232 339 R C 2.613 178.826 176.300 -0.146 0.000 1.131 339 R CA 1.509 57.559 56.100 -0.083 0.000 0.955 339 R CB -0.489 29.855 30.300 0.074 0.000 0.851 339 R HN 0.276 nan 8.270 nan 0.000 0.432 340 R N 0.445 120.885 120.500 -0.099 0.000 2.103 340 R HA -0.201 4.137 4.340 -0.002 0.000 0.242 340 R C 2.286 178.501 176.300 -0.142 0.000 1.142 340 R CA 1.898 57.943 56.100 -0.092 0.000 0.960 340 R CB -0.388 29.878 30.300 -0.058 0.000 0.858 340 R HN 0.280 nan 8.270 nan 0.000 0.439 341 L N 0.299 121.370 121.223 -0.253 0.000 2.007 341 L HA -0.095 4.244 4.340 -0.002 0.000 0.205 341 L C 2.163 178.880 176.870 -0.254 0.000 1.073 341 L CA 1.557 56.224 54.840 -0.289 0.000 0.744 341 L CB -0.770 40.980 42.059 -0.514 0.000 0.898 341 L HN 0.008 nan 8.230 nan 0.000 0.435 342 V N 0.537 120.221 119.914 -0.384 0.000 2.231 342 V HA -0.336 3.783 4.120 -0.002 0.000 0.248 342 V C 2.790 178.834 176.094 -0.084 0.000 1.054 342 V CA 2.158 64.312 62.300 -0.243 0.000 1.015 342 V CB -0.934 30.663 31.823 -0.377 0.000 0.638 342 V HN 0.445 nan 8.190 nan 0.000 0.444 343 K N 0.840 121.190 120.400 -0.083 0.000 2.089 343 K HA -0.214 4.104 4.320 -0.002 0.000 0.210 343 K C 2.509 179.105 176.600 -0.007 0.000 1.048 343 K CA 2.036 58.314 56.287 -0.015 0.000 0.926 343 K CB -1.015 31.476 32.500 -0.015 0.000 0.714 343 K HN 0.718 nan 8.250 nan 0.000 0.448 344 S N 1.175 116.855 115.700 -0.033 0.000 2.356 344 S HA -0.117 4.352 4.470 -0.002 0.000 0.223 344 S C 2.237 176.836 174.600 -0.001 0.000 1.032 344 S CA 1.059 59.248 58.200 -0.018 0.000 1.005 344 S CB -0.612 62.568 63.200 -0.034 0.000 0.867 344 S HN 0.249 nan 8.310 nan 0.000 0.449 345 L N 0.962 122.183 121.223 -0.002 0.000 2.056 345 L HA 0.104 4.443 4.340 -0.002 0.000 0.207 345 L C 0.950 177.847 176.870 0.045 0.000 1.078 345 L CA 1.034 55.889 54.840 0.025 0.000 0.749 345 L CB -0.501 41.581 42.059 0.039 0.000 0.901 345 L HN 0.418 nan 8.230 nan 0.000 0.433 346 N N -0.795 117.939 118.700 0.057 0.000 2.594 346 N HA 0.142 4.881 4.740 -0.002 0.000 0.280 346 N C -2.198 173.362 175.510 0.084 0.000 1.156 346 N CA -1.655 51.442 53.050 0.077 0.000 0.831 346 N CB 1.550 40.102 38.487 0.109 0.000 1.379 346 N HN -0.231 nan 8.380 nan 0.000 0.536 347 P HA 0.009 nan 4.420 nan 0.000 0.228 347 P C -0.416 176.950 177.300 0.111 0.000 1.151 347 P CA 1.011 64.154 63.100 0.073 0.000 0.770 347 P CB 0.526 32.260 31.700 0.056 0.000 0.786 348 D N -0.865 119.630 120.400 0.158 0.000 2.440 348 D HA 0.235 4.874 4.640 -0.002 0.000 0.216 348 D C 0.541 177.076 176.300 0.392 0.000 1.150 348 D CA -0.178 53.981 54.000 0.266 0.000 0.832 348 D CB 0.062 41.051 40.800 0.315 0.000 0.992 348 D HN 0.082 nan 8.370 nan 0.000 0.502 349 A N 0.699 123.685 122.820 0.277 0.000 2.401 349 A HA 0.423 4.742 4.320 -0.002 0.000 0.259 349 A C -0.146 177.624 177.584 0.311 0.000 1.103 349 A CA -0.311 51.915 52.037 0.315 0.000 0.789 349 A CB 0.261 19.418 19.000 0.262 0.000 1.035 349 A HN 0.247 nan 8.150 nan 0.000 0.491 350 L N 2.491 123.940 121.223 0.377 0.000 2.334 350 L HA 0.603 4.942 4.340 -0.002 0.000 0.277 350 L C -0.870 176.142 176.870 0.238 0.000 1.075 350 L CA -0.073 54.915 54.840 0.247 0.000 0.804 350 L CB 1.144 43.363 42.059 0.267 0.000 1.174 350 L HN 0.556 nan 8.230 nan 0.000 0.438 351 I N 5.133 125.782 120.570 0.133 0.000 2.411 351 I HA 0.398 4.567 4.170 -0.002 0.000 0.284 351 I C -0.830 175.199 176.117 -0.146 0.000 1.012 351 I CA -0.213 61.156 61.300 0.114 0.000 1.119 351 I CB 1.739 39.880 38.000 0.235 0.000 1.261 351 I HN 0.164 nan 8.210 nan 0.000 0.448 352 V N 5.266 124.954 119.914 -0.377 0.000 2.495 352 V HA 0.816 4.934 4.120 -0.002 0.000 0.298 352 V C 0.534 176.103 176.094 -0.875 0.000 1.031 352 V CA -0.652 61.230 62.300 -0.696 0.000 0.871 352 V CB 1.677 32.818 31.823 -1.138 0.000 0.988 352 V HN 0.795 nan 8.190 nan 0.000 0.432 353 G N 2.143 110.344 108.800 -0.998 0.000 2.410 353 G HA2 0.578 4.537 3.960 -0.002 0.000 0.330 353 G HA3 0.578 4.537 3.960 -0.002 0.000 0.330 353 G C -0.679 173.738 174.900 -0.805 0.000 1.142 353 G CA -0.312 44.057 45.100 -1.219 0.000 0.902 353 G HN 0.619 nan 8.290 nan 0.000 0.491 354 E N 1.089 120.804 120.200 -0.808 0.000 2.173 354 E HA 0.369 4.717 4.350 -0.002 0.000 0.249 354 E C -0.769 175.204 176.600 -1.045 0.000 0.923 354 E CA -0.171 55.735 56.400 -0.823 0.000 0.754 354 E CB 0.749 30.058 29.700 -0.651 0.000 1.177 354 E HN 0.326 nan 8.360 nan 0.000 0.430 355 I N 2.314 122.294 120.570 -0.983 0.000 2.533 355 I HA 0.285 4.454 4.170 -0.002 0.000 0.290 355 I C -0.386 175.467 176.117 -0.439 0.000 1.056 355 I CA -0.779 60.001 61.300 -0.868 0.000 1.057 355 I CB 1.746 39.294 38.000 -0.754 0.000 1.240 355 I HN 0.469 nan 8.210 nan 0.000 0.423 356 W N 6.544 127.659 121.300 -0.309 0.000 2.220 356 W HA 0.325 4.984 4.660 -0.002 0.000 0.380 356 W C 0.249 176.616 176.519 -0.253 0.000 0.682 356 W CA -0.473 56.542 57.345 -0.549 0.000 2.400 356 W CB 0.036 29.194 29.460 -0.504 0.000 1.825 356 W HN 0.543 nan 8.180 nan 0.000 0.687 357 H N -2.181 117.157 119.070 0.447 0.000 2.938 357 H HA 0.006 4.561 4.556 -0.002 0.000 0.273 357 H C -0.956 174.672 175.328 0.500 0.000 1.380 357 H CA -1.217 55.115 56.048 0.474 0.000 1.314 357 H CB 0.281 30.210 29.762 0.279 0.000 1.880 357 H HN -0.197 nan 8.280 nan 0.000 0.489 358 D N 0.995 121.768 120.400 0.621 0.000 2.982 358 D HA -0.004 4.635 4.640 -0.002 0.000 0.222 358 D C 0.333 177.010 176.300 0.627 0.000 1.124 358 D CA 1.229 55.564 54.000 0.558 0.000 0.810 358 D CB 0.210 41.264 40.800 0.423 0.000 1.152 358 D HN 0.643 nan 8.370 nan 0.000 0.538 359 A N 2.970 126.148 122.820 0.596 0.000 2.749 359 A HA 0.144 4.463 4.320 -0.002 0.000 0.299 359 A C 1.526 179.308 177.584 0.330 0.000 1.105 359 A CA 0.130 52.491 52.037 0.539 0.000 0.987 359 A CB -0.019 19.109 19.000 0.213 0.000 1.180 359 A HN 0.467 nan 8.150 nan 0.000 0.528 360 S N -1.085 114.867 115.700 0.421 0.000 2.447 360 S HA -0.042 4.427 4.470 -0.002 0.000 0.233 360 S C 1.641 176.311 174.600 0.118 0.000 1.006 360 S CA 1.282 59.663 58.200 0.303 0.000 0.957 360 S CB -0.420 63.040 63.200 0.433 0.000 0.773 360 S HN 0.753 nan 8.310 nan 0.000 0.507 361 G N -0.788 108.027 108.800 0.026 0.000 2.956 361 G HA2 0.093 4.052 3.960 -0.002 0.000 0.207 361 G HA3 0.093 4.052 3.960 -0.002 0.000 0.207 361 G C 0.611 175.225 174.900 -0.476 0.000 1.162 361 G CA -0.118 44.803 45.100 -0.298 0.000 0.796 361 G HN 0.594 nan 8.290 nan 0.000 0.527 362 W N -0.550 120.704 121.300 -0.076 0.000 2.324 362 W HA 0.378 5.037 4.660 -0.002 0.000 0.316 362 W C 0.490 176.835 176.519 -0.289 0.000 0.927 362 W CA -0.257 56.895 57.345 -0.321 0.000 1.438 362 W CB 0.431 29.604 29.460 -0.477 0.000 1.085 362 W HN 0.045 nan 8.180 nan 0.000 0.532 363 L N 0.518 121.760 121.223 0.031 0.000 3.110 363 L HA 0.162 4.500 4.340 -0.002 0.000 0.266 363 L C 1.559 178.520 176.870 0.152 0.000 1.257 363 L CA -0.186 54.701 54.840 0.079 0.000 1.038 363 L CB 0.000 42.007 42.059 -0.088 0.000 1.395 363 L HN -0.229 nan 8.230 nan 0.000 0.566 364 M N 0.018 119.586 119.600 -0.052 0.000 2.492 364 M HA 0.155 4.634 4.480 -0.002 0.000 0.262 364 M C 1.569 177.617 176.300 -0.419 0.000 1.090 364 M CA 0.998 56.252 55.300 -0.077 0.000 1.110 364 M CB -0.021 32.530 32.600 -0.081 0.000 1.407 364 M HN 0.349 nan 8.290 nan 0.000 0.470 365 G N -0.462 107.765 108.800 -0.955 0.000 2.192 365 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.193 365 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.193 365 G C 0.369 174.832 174.900 -0.727 0.000 0.999 365 G CA 0.378 44.407 45.100 -1.786 0.000 0.659 365 G HN 0.538 nan 8.290 nan 0.000 0.503 366 D N -0.277 119.882 120.400 -0.403 0.000 2.402 366 D HA 0.270 4.909 4.640 -0.002 0.000 0.216 366 D C 1.089 177.324 176.300 -0.108 0.000 1.128 366 D CA 0.506 54.388 54.000 -0.197 0.000 0.833 366 D CB 0.189 40.914 40.800 -0.125 0.000 0.971 366 D HN 0.557 nan 8.370 nan 0.000 0.503 367 Q N -1.010 118.701 119.800 -0.148 0.000 1.668 367 Q HA 0.247 4.586 4.340 -0.002 0.000 0.149 367 Q C -0.464 175.555 176.000 0.032 0.000 0.412 367 Q CA -0.536 55.224 55.803 -0.072 0.000 0.676 367 Q CB 0.555 29.137 28.738 -0.260 0.000 0.893 367 Q HN 0.011 nan 8.270 nan 0.000 0.213 368 F N 1.706 121.670 119.950 0.023 0.000 2.368 368 F HA 0.211 4.737 4.527 -0.002 0.000 0.315 368 F C 1.092 176.900 175.800 0.013 0.000 1.145 368 F CA -0.708 57.270 58.000 -0.037 0.000 1.095 368 F CB 0.175 39.086 39.000 -0.148 0.000 1.286 368 F HN 0.210 nan 8.300 nan 0.000 0.530 369 D N -0.949 119.593 120.400 0.237 0.000 2.366 369 D HA 0.097 4.736 4.640 -0.002 0.000 0.205 369 D C 0.290 176.665 176.300 0.124 0.000 1.022 369 D CA 0.810 54.951 54.000 0.235 0.000 0.868 369 D CB 0.537 41.401 40.800 0.106 0.000 0.953 369 D HN 0.469 nan 8.370 nan 0.000 0.514 370 S N -1.164 114.541 115.700 0.008 0.000 2.655 370 S HA 0.445 4.914 4.470 -0.002 0.000 0.263 370 S C -0.922 173.540 174.600 -0.231 0.000 1.091 370 S CA -0.649 57.484 58.200 -0.111 0.000 0.865 370 S CB 1.223 64.324 63.200 -0.165 0.000 1.146 370 S HN -0.024 nan 8.310 nan 0.000 0.482 371 V N -2.376 117.398 119.914 -0.235 0.000 3.103 371 V HA 0.727 4.846 4.120 -0.002 0.000 0.311 371 V C -0.751 175.250 176.094 -0.157 0.000 1.322 371 V CA -1.396 60.739 62.300 -0.276 0.000 1.063 371 V CB 1.541 33.249 31.823 -0.191 0.000 1.090 371 V HN 0.947 nan 8.190 nan 0.000 0.462 372 M N 3.015 122.585 119.600 -0.050 0.000 2.143 372 M HA 0.333 4.812 4.480 -0.002 0.000 0.348 372 M C 0.159 176.654 176.300 0.324 0.000 1.375 372 M CA 0.073 55.491 55.300 0.198 0.000 1.124 372 M CB -0.230 32.605 32.600 0.392 0.000 1.669 372 M HN 0.829 nan 8.290 nan 0.000 0.469 373 N N 3.801 122.639 118.700 0.229 0.000 3.027 373 N HA -0.067 4.672 4.740 -0.002 0.000 0.309 373 N C 0.794 176.453 175.510 0.248 0.000 1.222 373 N CA 0.025 53.192 53.050 0.194 0.000 1.187 373 N CB -0.259 38.300 38.487 0.119 0.000 1.458 373 N HN 0.513 nan 8.380 nan 0.000 0.535 374 Y N 0.181 120.635 120.300 0.257 0.000 2.256 374 Y HA -0.111 4.438 4.550 -0.002 0.000 0.288 374 Y C 1.551 177.517 175.900 0.111 0.000 1.155 374 Y CA 0.934 59.094 58.100 0.100 0.000 1.203 374 Y CB -0.399 38.026 38.460 -0.059 0.000 0.980 374 Y HN 0.223 nan 8.280 nan 0.000 0.530 375 L N -0.760 120.222 121.223 -0.402 0.000 2.083 375 L HA -0.161 4.178 4.340 -0.002 0.000 0.209 375 L C 2.465 179.339 176.870 0.006 0.000 1.083 375 L CA 1.755 56.446 54.840 -0.248 0.000 0.752 375 L CB -0.718 41.149 42.059 -0.320 0.000 0.899 375 L HN 0.377 nan 8.230 nan 0.000 0.433 376 F N 1.089 121.015 119.950 -0.040 0.000 2.134 376 F HA -0.243 4.283 4.527 -0.002 0.000 0.299 376 F C 2.775 178.622 175.800 0.079 0.000 1.097 376 F CA 1.698 59.720 58.000 0.037 0.000 1.264 376 F CB -0.249 38.788 39.000 0.061 0.000 1.001 376 F HN -0.122 nan 8.300 nan 0.000 0.479 377 R N 0.682 121.328 120.500 0.244 0.000 2.088 377 R HA -0.200 4.138 4.340 -0.002 0.000 0.232 377 R C 2.207 178.518 176.300 0.018 0.000 1.136 377 R CA 2.393 58.554 56.100 0.103 0.000 0.926 377 R CB -0.688 29.697 30.300 0.141 0.000 0.837 377 R HN 0.452 nan 8.270 nan 0.000 0.429 378 E N 0.171 120.406 120.200 0.059 0.000 2.114 378 E HA -0.223 4.126 4.350 -0.002 0.000 0.199 378 E C 2.083 178.713 176.600 0.050 0.000 1.008 378 E CA 1.792 58.228 56.400 0.060 0.000 0.810 378 E CB -0.187 29.558 29.700 0.076 0.000 0.739 378 E HN 0.350 nan 8.360 nan 0.000 0.456 379 S N 0.582 116.294 115.700 0.019 0.000 2.399 379 S HA -0.116 4.353 4.470 -0.002 0.000 0.231 379 S C 2.269 176.994 174.600 0.208 0.000 1.022 379 S CA 1.329 59.574 58.200 0.075 0.000 0.983 379 S CB -0.077 63.104 63.200 -0.032 0.000 0.803 379 S HN 0.359 nan 8.310 nan 0.000 0.480 380 V N -0.998 118.981 119.914 0.107 0.000 3.354 380 V HA 0.338 4.457 4.120 -0.002 0.000 0.258 380 V C 1.544 177.856 176.094 0.362 0.000 1.159 380 V CA 0.501 62.954 62.300 0.255 0.000 1.125 380 V CB -0.500 31.410 31.823 0.145 0.000 0.774 380 V HN 0.428 nan 8.190 nan 0.000 0.464 381 I N -0.134 120.605 120.570 0.281 0.000 3.564 381 I HA 0.165 4.334 4.170 -0.002 0.000 0.294 381 I C 2.275 178.482 176.117 0.151 0.000 1.289 381 I CA 0.557 62.093 61.300 0.395 0.000 1.325 381 I CB 0.082 38.270 38.000 0.314 0.000 1.039 381 I HN 0.201 nan 8.210 nan 0.000 0.474 382 R N -1.518 119.027 120.500 0.074 0.000 2.446 382 R HA 0.117 4.456 4.340 -0.002 0.000 0.254 382 R C 1.212 177.461 176.300 -0.085 0.000 0.918 382 R CA 0.098 56.194 56.100 -0.007 0.000 1.069 382 R CB 0.392 30.693 30.300 0.002 0.000 1.194 382 R HN 0.235 nan 8.270 nan 0.000 0.534 383 F N -1.115 118.586 119.950 -0.415 0.000 2.694 383 F HA 0.327 4.853 4.527 -0.002 0.000 0.292 383 F C 0.704 175.990 175.800 -0.857 0.000 1.121 383 F CA 0.314 57.814 58.000 -0.832 0.000 1.352 383 F CB 0.529 38.517 39.000 -1.688 0.000 1.107 383 F HN -0.168 nan 8.300 nan 0.000 0.597 384 F N -1.004 118.801 119.950 -0.241 0.000 2.577 384 F HA 0.352 4.878 4.527 -0.002 0.000 0.276 384 F C 2.244 177.889 175.800 -0.259 0.000 1.032 384 F CA 0.589 58.428 58.000 -0.269 0.000 1.297 384 F CB -0.789 38.211 39.000 -0.000 0.000 1.061 384 F HN -0.060 nan 8.300 nan 0.000 0.680 385 A N 0.771 123.583 122.820 -0.013 0.000 1.824 385 A HA -0.067 4.252 4.320 -0.002 0.000 0.215 385 A C 2.153 179.635 177.584 -0.170 0.000 1.244 385 A CA 2.320 54.224 52.037 -0.221 0.000 0.604 385 A CB -1.336 17.516 19.000 -0.248 0.000 0.900 385 A HN 0.333 nan 8.150 nan 0.000 0.455 386 T N -3.865 110.619 114.554 -0.117 0.000 2.849 386 T HA 0.417 4.766 4.350 -0.002 0.000 0.230 386 T C 1.370 175.997 174.700 -0.121 0.000 1.071 386 T CA 1.750 63.789 62.100 -0.101 0.000 1.559 386 T CB -0.619 68.210 68.868 -0.065 0.000 1.141 386 T HN 1.649 nan 8.240 nan 0.000 0.417 387 G N -0.000 108.730 108.800 -0.115 0.000 3.732 387 G HA2 -0.042 3.917 3.960 -0.002 0.000 0.220 387 G HA3 -0.042 3.917 3.960 -0.002 0.000 0.220 387 G C 0.606 175.462 174.900 -0.073 0.000 0.903 387 G CA 0.345 45.366 45.100 -0.132 0.000 0.896 387 G HN 0.535 nan 8.290 nan 0.000 0.685 388 E N 0.169 120.338 120.200 -0.053 0.000 2.333 388 E HA -0.019 4.330 4.350 -0.002 0.000 0.200 388 E C 1.183 177.775 176.600 -0.014 0.000 1.010 388 E CA 1.235 57.621 56.400 -0.024 0.000 0.841 388 E CB -0.005 29.682 29.700 -0.021 0.000 0.757 388 E HN 0.846 nan 8.360 nan 0.000 0.508 389 I N -1.775 118.777 120.570 -0.029 0.000 2.686 389 I HA 0.370 4.539 4.170 -0.002 0.000 0.295 389 I C -0.223 175.902 176.117 0.013 0.000 1.114 389 I CA -1.382 59.886 61.300 -0.054 0.000 1.038 389 I CB 1.680 39.623 38.000 -0.095 0.000 1.238 389 I HN -0.158 nan 8.210 nan 0.000 0.420 390 H N 4.134 123.240 119.070 0.060 0.000 2.497 390 H HA 0.756 5.311 4.556 -0.002 0.000 0.331 390 H C 1.200 176.641 175.328 0.188 0.000 1.457 390 H CA -0.234 55.883 56.048 0.115 0.000 1.459 390 H CB 0.542 30.331 29.762 0.045 0.000 1.728 390 H HN 0.707 nan 8.280 nan 0.000 0.691 391 A N 0.129 123.191 122.820 0.403 0.000 1.883 391 A HA -0.240 4.079 4.320 -0.002 0.000 0.217 391 A C 1.993 179.487 177.584 -0.151 0.000 1.186 391 A CA 1.975 54.085 52.037 0.123 0.000 0.624 391 A CB -1.054 18.117 19.000 0.285 0.000 0.822 391 A HN 0.877 nan 8.150 nan 0.000 0.444 392 E N -1.198 119.047 120.200 0.075 0.000 2.150 392 E HA -0.191 4.158 4.350 -0.002 0.000 0.193 392 E C 2.100 178.581 176.600 -0.200 0.000 0.985 392 E CA 1.187 57.574 56.400 -0.022 0.000 0.814 392 E CB -0.095 29.708 29.700 0.172 0.000 0.752 392 E HN 0.483 nan 8.360 nan 0.000 0.466 393 R N 0.285 120.528 120.500 -0.428 0.000 2.299 393 R HA 0.013 4.351 4.340 -0.002 0.000 0.197 393 R C 1.403 177.521 176.300 -0.303 0.000 0.971 393 R CA 0.513 56.377 56.100 -0.392 0.000 1.030 393 R CB -0.397 29.551 30.300 -0.586 0.000 0.932 393 R HN 0.216 nan 8.270 nan 0.000 0.477 394 F N -0.437 119.134 119.950 -0.632 0.000 2.220 394 F HA 0.007 4.533 4.527 -0.002 0.000 0.290 394 F C 1.770 177.134 175.800 -0.727 0.000 1.080 394 F CA 0.870 58.382 58.000 -0.813 0.000 1.318 394 F CB 0.017 38.121 39.000 -1.494 0.000 1.063 394 F HN 0.117 nan 8.300 nan 0.000 0.498 395 D N 0.836 120.794 120.400 -0.736 0.000 2.149 395 D HA -0.197 4.442 4.640 -0.002 0.000 0.198 395 D C 2.115 178.209 176.300 -0.343 0.000 0.990 395 D CA 1.463 55.087 54.000 -0.628 0.000 0.839 395 D CB -0.196 40.356 40.800 -0.412 0.000 0.948 395 D HN 0.361 nan 8.370 nan 0.000 0.460 396 A N 0.874 123.538 122.820 -0.260 0.000 1.832 396 A HA -0.152 4.167 4.320 -0.002 0.000 0.214 396 A C 2.126 179.615 177.584 -0.158 0.000 1.200 396 A CA 1.590 53.541 52.037 -0.143 0.000 0.610 396 A CB -0.758 18.185 19.000 -0.096 0.000 0.842 396 A HN 0.297 nan 8.150 nan 0.000 0.444 397 E N -0.683 119.399 120.200 -0.196 0.000 2.187 397 E HA -0.244 4.105 4.350 -0.002 0.000 0.199 397 E C 1.838 178.308 176.600 -0.218 0.000 1.004 397 E CA 1.278 57.573 56.400 -0.175 0.000 0.813 397 E CB -0.321 29.281 29.700 -0.163 0.000 0.736 397 E HN 0.417 nan 8.360 nan 0.000 0.468 398 L N 0.478 121.498 121.223 -0.338 0.000 1.971 398 L HA -0.129 4.210 4.340 -0.002 0.000 0.208 398 L C 2.489 179.270 176.870 -0.148 0.000 1.083 398 L CA 1.929 56.594 54.840 -0.291 0.000 0.753 398 L CB -1.084 40.694 42.059 -0.468 0.000 0.893 398 L HN 0.024 nan 8.230 nan 0.000 0.436 399 T N -0.506 113.963 114.554 -0.141 0.000 2.620 399 T HA -0.361 3.988 4.350 -0.002 0.000 0.267 399 T C 1.993 176.579 174.700 -0.189 0.000 1.044 399 T CA 2.116 64.142 62.100 -0.123 0.000 1.161 399 T CB -0.363 68.465 68.868 -0.067 0.000 0.862 399 T HN 0.234 nan 8.240 nan 0.000 0.438 400 R N 0.988 121.412 120.500 -0.126 0.000 2.080 400 R HA -0.104 4.235 4.340 -0.002 0.000 0.236 400 R C 2.638 178.826 176.300 -0.187 0.000 1.137 400 R CA 1.669 57.700 56.100 -0.114 0.000 0.943 400 R CB -0.591 29.701 30.300 -0.013 0.000 0.846 400 R HN 0.395 nan 8.270 nan 0.000 0.431 401 A N 0.994 123.713 122.820 -0.168 0.000 1.940 401 A HA -0.202 4.117 4.320 -0.002 0.000 0.219 401 A C 2.213 179.647 177.584 -0.250 0.000 1.176 401 A CA 1.600 53.515 52.037 -0.204 0.000 0.631 401 A CB -0.648 18.271 19.000 -0.135 0.000 0.814 401 A HN 0.456 nan 8.150 nan 0.000 0.446 402 R N -1.322 119.061 120.500 -0.194 0.000 2.241 402 R HA -0.045 4.294 4.340 -0.002 0.000 0.224 402 R C 1.010 177.150 176.300 -0.266 0.000 1.101 402 R CA 1.298 57.281 56.100 -0.194 0.000 0.995 402 R CB -0.119 30.095 30.300 -0.143 0.000 0.870 402 R HN 0.397 nan 8.270 nan 0.000 0.463 403 M N -0.171 119.212 119.600 -0.362 0.000 2.371 403 M HA 0.042 4.521 4.480 -0.002 0.000 0.246 403 M C 1.251 177.359 176.300 -0.319 0.000 1.103 403 M CA 0.135 55.189 55.300 -0.410 0.000 1.010 403 M CB 0.061 32.209 32.600 -0.753 0.000 1.457 403 M HN 0.096 nan 8.290 nan 0.000 0.486 404 L N -0.481 120.498 121.223 -0.408 0.000 2.083 404 L HA -0.078 4.261 4.340 -0.002 0.000 0.209 404 L C 0.473 177.114 176.870 -0.382 0.000 1.083 404 L CA 1.663 56.185 54.840 -0.530 0.000 0.752 404 L CB -0.526 40.894 42.059 -1.065 0.000 0.899 404 L HN 0.199 nan 8.230 nan 0.000 0.433 405 Y N -2.853 117.436 120.300 -0.018 0.000 2.662 405 Y HA 0.486 5.035 4.550 -0.002 0.000 0.335 405 Y C -2.094 173.760 175.900 -0.077 0.000 1.066 405 Y CA -3.081 55.011 58.100 -0.013 0.000 1.116 405 Y CB 0.017 38.473 38.460 -0.007 0.000 1.308 405 Y HN -0.304 nan 8.280 nan 0.000 0.502 406 P HA 0.014 nan 4.420 nan 0.000 0.272 406 P C 0.314 177.426 177.300 -0.315 0.000 1.223 406 P CA -0.039 62.825 63.100 -0.393 0.000 0.784 406 P CB 0.644 31.881 31.700 -0.771 0.000 0.923 407 E N 1.487 121.550 120.200 -0.229 0.000 2.118 407 E HA -0.307 4.041 4.350 -0.002 0.000 0.195 407 E C 1.122 177.527 176.600 -0.324 0.000 0.992 407 E CA 1.390 57.689 56.400 -0.168 0.000 0.804 407 E CB -0.595 29.089 29.700 -0.027 0.000 0.741 407 E HN 0.373 nan 8.360 nan 0.000 0.458 408 Q N 0.891 120.371 119.800 -0.534 0.000 2.197 408 Q HA -0.102 4.236 4.340 -0.002 0.000 0.207 408 Q C 2.078 177.619 176.000 -0.764 0.000 0.984 408 Q CA 2.260 57.630 55.803 -0.722 0.000 0.869 408 Q CB -0.256 27.789 28.738 -1.155 0.000 0.906 408 Q HN 0.518 nan 8.270 nan 0.000 0.426 409 A N -0.262 122.124 122.820 -0.724 0.000 1.997 409 A HA 0.289 4.608 4.320 -0.002 0.000 0.212 409 A C 2.112 179.586 177.584 -0.184 0.000 1.178 409 A CA 0.818 52.619 52.037 -0.393 0.000 0.698 409 A CB -0.412 18.454 19.000 -0.222 0.000 0.842 409 A HN 0.322 nan 8.150 nan 0.000 0.458 410 A N -0.340 122.390 122.820 -0.149 0.000 2.014 410 A HA -0.129 4.189 4.320 -0.002 0.000 0.218 410 A C 2.073 179.559 177.584 -0.164 0.000 1.163 410 A CA 1.562 53.542 52.037 -0.095 0.000 0.652 410 A CB -0.342 18.599 19.000 -0.098 0.000 0.808 410 A HN 0.535 nan 8.150 nan 0.000 0.449 411 Q N 0.163 119.845 119.800 -0.196 0.000 2.435 411 Q HA 0.011 4.349 4.340 -0.002 0.000 0.207 411 Q C 1.116 177.011 176.000 -0.175 0.000 0.956 411 Q CA 1.506 57.190 55.803 -0.198 0.000 0.917 411 Q CB -0.216 28.407 28.738 -0.191 0.000 0.997 411 Q HN 0.456 nan 8.270 nan 0.000 0.497 412 G N 0.683 109.391 108.800 -0.153 0.000 3.695 412 G HA2 0.259 4.218 3.960 -0.002 0.000 0.277 412 G HA3 0.259 4.218 3.960 -0.002 0.000 0.277 412 G C 0.055 174.949 174.900 -0.010 0.000 1.001 412 G CA -0.458 44.585 45.100 -0.094 0.000 0.837 412 G HN 0.164 nan 8.290 nan 0.000 0.492 413 L N 1.091 122.289 121.223 -0.041 0.000 2.490 413 L HA 0.144 4.483 4.340 -0.002 0.000 0.274 413 L C 0.072 177.006 176.870 0.107 0.000 1.201 413 L CA -0.645 54.200 54.840 0.009 0.000 0.869 413 L CB 0.522 42.584 42.059 0.004 0.000 1.123 413 L HN 0.140 nan 8.230 nan 0.000 0.484 414 W N 3.674 124.882 121.300 -0.154 0.000 2.485 414 W HA 0.124 4.783 4.660 -0.002 0.000 0.315 414 W C 0.214 176.598 176.519 -0.224 0.000 1.304 414 W CA -0.839 56.400 57.345 -0.177 0.000 1.345 414 W CB -0.378 28.996 29.460 -0.143 0.000 1.368 414 W HN 0.366 nan 8.180 nan 0.000 0.497 415 N N 5.521 124.068 118.700 -0.256 0.000 2.602 415 N HA 0.138 4.877 4.740 -0.002 0.000 0.238 415 N C -0.215 175.012 175.510 -0.471 0.000 1.084 415 N CA -0.204 52.417 53.050 -0.714 0.000 0.952 415 N CB 0.286 37.871 38.487 -1.502 0.000 1.244 415 N HN 0.386 nan 8.380 nan 0.000 0.512 416 L N -1.197 119.975 121.223 -0.084 0.000 2.379 416 L HA 0.493 4.832 4.340 -0.002 0.000 0.269 416 L C 0.540 177.499 176.870 0.148 0.000 1.084 416 L CA -0.696 54.167 54.840 0.038 0.000 0.802 416 L CB 1.156 43.272 42.059 0.095 0.000 1.175 416 L HN 0.197 nan 8.230 nan 0.000 0.448 417 L N 0.695 121.937 121.223 0.031 0.000 2.408 417 L HA 0.225 4.564 4.340 -0.002 0.000 0.215 417 L C -0.233 176.604 176.870 -0.055 0.000 1.081 417 L CA 0.519 55.278 54.840 -0.136 0.000 0.840 417 L CB -0.015 41.839 42.059 -0.341 0.000 1.002 417 L HN 0.992 nan 8.230 nan 0.000 0.468 418 D N -2.975 117.411 120.400 -0.023 0.000 2.809 418 D HA 0.390 5.029 4.640 -0.002 0.000 0.336 418 D C -0.626 175.526 176.300 -0.246 0.000 1.367 418 D CA -0.297 53.652 54.000 -0.086 0.000 0.815 418 D CB 0.988 41.762 40.800 -0.042 0.000 1.381 418 D HN -0.076 nan 8.370 nan 0.000 0.471 419 S N -2.072 113.364 115.700 -0.440 0.000 2.800 419 S HA 0.352 4.821 4.470 -0.002 0.000 0.293 419 S C 0.118 174.313 174.600 -0.675 0.000 1.209 419 S CA -0.527 57.337 58.200 -0.560 0.000 0.884 419 S CB 0.418 63.587 63.200 -0.052 0.000 1.244 419 S HN 0.954 nan 8.310 nan 0.000 0.540 420 H N 0.280 119.159 119.070 -0.319 0.000 2.556 420 H HA 0.360 4.915 4.556 -0.002 0.000 0.273 420 H C 0.252 175.513 175.328 -0.112 0.000 1.030 420 H CA 0.475 56.436 56.048 -0.145 0.000 1.156 420 H CB -1.057 28.607 29.762 -0.163 0.000 1.326 420 H HN 0.654 nan 8.280 nan 0.000 0.609 421 N N 0.410 118.855 118.700 -0.424 0.000 2.197 421 N HA 0.044 4.783 4.740 -0.002 0.000 0.228 421 N C -0.393 175.004 175.510 -0.189 0.000 1.212 421 N CA 0.363 53.220 53.050 -0.321 0.000 0.883 421 N CB 1.293 39.566 38.487 -0.357 0.000 1.107 421 N HN 0.410 nan 8.380 nan 0.000 0.519 422 T N -2.024 112.422 114.554 -0.180 0.000 2.816 422 T HA 0.233 4.582 4.350 -0.002 0.000 0.299 422 T C -0.704 173.942 174.700 -0.090 0.000 1.230 422 T CA -0.976 61.053 62.100 -0.119 0.000 1.007 422 T CB 1.719 70.519 68.868 -0.112 0.000 1.289 422 T HN 0.123 nan 8.240 nan 0.000 0.508 423 E N 1.035 121.211 120.200 -0.041 0.000 2.428 423 E HA 0.263 4.612 4.350 -0.002 0.000 0.257 423 E C -0.155 176.452 176.600 0.011 0.000 1.197 423 E CA -0.869 55.524 56.400 -0.011 0.000 0.974 423 E CB 0.540 30.239 29.700 -0.001 0.000 0.976 423 E HN 0.432 nan 8.360 nan 0.000 0.463 424 R N 0.336 120.862 120.500 0.044 0.000 2.582 424 R HA 0.061 4.400 4.340 -0.002 0.000 0.271 424 R C 0.707 177.122 176.300 0.191 0.000 1.078 424 R CA -0.197 55.971 56.100 0.114 0.000 1.127 424 R CB 0.198 30.561 30.300 0.105 0.000 1.038 424 R HN 0.648 nan 8.270 nan 0.000 0.500 425 F N 1.975 122.010 119.950 0.143 0.000 2.146 425 F HA -0.201 4.325 4.527 -0.002 0.000 0.298 425 F C 2.001 177.956 175.800 0.258 0.000 1.096 425 F CA 1.199 59.301 58.000 0.170 0.000 1.275 425 F CB -0.294 38.799 39.000 0.155 0.000 1.008 425 F HN 0.454 nan 8.300 nan 0.000 0.480 426 L N 0.137 121.612 121.223 0.421 0.000 2.081 426 L HA -0.226 4.113 4.340 -0.002 0.000 0.212 426 L C 2.151 179.011 176.870 -0.018 0.000 1.080 426 L CA 2.467 57.428 54.840 0.201 0.000 0.754 426 L CB -1.487 40.514 42.059 -0.096 0.000 0.893 426 L HN 0.176 nan 8.230 nan 0.000 0.433 427 T N -1.118 113.428 114.554 -0.014 0.000 2.777 427 T HA -0.121 4.228 4.350 -0.002 0.000 0.266 427 T C 1.947 176.590 174.700 -0.096 0.000 1.040 427 T CA 1.489 63.560 62.100 -0.048 0.000 1.141 427 T CB -0.231 68.624 68.868 -0.020 0.000 0.868 427 T HN 0.433 nan 8.240 nan 0.000 0.444 428 S N 0.595 116.206 115.700 -0.148 0.000 2.399 428 S HA -0.102 4.367 4.470 -0.002 0.000 0.231 428 S C 1.904 176.346 174.600 -0.262 0.000 1.022 428 S CA 0.741 58.816 58.200 -0.209 0.000 0.983 428 S CB -0.415 62.615 63.200 -0.284 0.000 0.803 428 S HN 0.577 nan 8.310 nan 0.000 0.480 429 C N 1.722 120.838 119.300 -0.307 0.000 2.509 429 C HA 0.410 4.869 4.460 -0.002 0.000 0.301 429 C C 1.941 176.849 174.990 -0.136 0.000 1.317 429 C CA -0.506 58.368 59.018 -0.240 0.000 1.667 429 C CB -1.787 25.828 27.740 -0.209 0.000 1.717 429 C HN 0.714 nan 8.230 nan 0.000 0.595 430 G N 0.825 109.556 108.800 -0.114 0.000 2.309 430 G HA2 -0.046 3.912 3.960 -0.002 0.000 0.286 430 G HA3 -0.046 3.912 3.960 -0.002 0.000 0.286 430 G C 1.095 175.956 174.900 -0.066 0.000 1.002 430 G CA 0.793 45.847 45.100 -0.077 0.000 0.786 430 G HN 1.502 nan 8.290 nan 0.000 0.511 431 G N -0.918 107.838 108.800 -0.073 0.000 2.199 431 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.254 431 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.254 431 G C 0.430 175.294 174.900 -0.060 0.000 0.982 431 G CA 0.743 45.801 45.100 -0.069 0.000 0.632 431 G HN 1.416 nan 8.290 nan 0.000 0.529 432 N N 1.616 120.284 118.700 -0.053 0.000 2.484 432 N HA 0.069 4.807 4.740 -0.002 0.000 0.295 432 N C 1.294 176.795 175.510 -0.014 0.000 1.240 432 N CA 0.877 53.906 53.050 -0.036 0.000 1.085 432 N CB 0.001 38.453 38.487 -0.059 0.000 1.465 432 N HN 0.697 nan 8.380 nan 0.000 0.496 433 E N 2.091 122.284 120.200 -0.011 0.000 2.333 433 E HA -0.227 4.122 4.350 -0.002 0.000 0.200 433 E C 1.298 177.933 176.600 0.059 0.000 1.010 433 E CA 1.114 57.525 56.400 0.018 0.000 0.841 433 E CB 0.195 29.873 29.700 -0.036 0.000 0.757 433 E HN 0.684 nan 8.360 nan 0.000 0.508 434 A N 0.933 123.773 122.820 0.033 0.000 1.898 434 A HA -0.134 4.185 4.320 -0.002 0.000 0.214 434 A C 1.950 179.493 177.584 -0.067 0.000 1.183 434 A CA 1.210 53.278 52.037 0.052 0.000 0.622 434 A CB -0.134 19.005 19.000 0.231 0.000 0.824 434 A HN 0.107 nan 8.150 nan 0.000 0.444 435 K N -1.335 118.942 120.400 -0.205 0.000 2.002 435 K HA -0.098 4.220 4.320 -0.002 0.000 0.209 435 K C 1.787 178.352 176.600 -0.059 0.000 1.048 435 K CA 1.490 57.601 56.287 -0.293 0.000 0.930 435 K CB -0.425 31.886 32.500 -0.315 0.000 0.714 435 K HN 0.436 nan 8.250 nan 0.000 0.438 436 F N 2.479 122.372 119.950 -0.096 0.000 2.008 436 F HA -0.320 4.205 4.527 -0.002 0.000 0.297 436 F C 2.394 178.224 175.800 0.050 0.000 1.156 436 F CA 1.725 59.751 58.000 0.043 0.000 1.191 436 F CB -0.238 38.790 39.000 0.046 0.000 0.955 436 F HN -0.093 nan 8.300 nan 0.000 0.497 437 R N 0.131 120.823 120.500 0.321 0.000 2.140 437 R HA -0.256 4.083 4.340 -0.002 0.000 0.250 437 R C 2.252 178.611 176.300 0.100 0.000 1.150 437 R CA 1.815 58.068 56.100 0.256 0.000 0.966 437 R CB -1.093 29.232 30.300 0.042 0.000 0.869 437 R HN 0.411 nan 8.270 nan 0.000 0.445 438 L N 0.478 121.680 121.223 -0.035 0.000 2.017 438 L HA -0.151 4.188 4.340 -0.002 0.000 0.208 438 L C 2.380 178.945 176.870 -0.508 0.000 1.073 438 L CA 2.019 56.781 54.840 -0.129 0.000 0.745 438 L CB -1.059 40.958 42.059 -0.071 0.000 0.894 438 L HN 0.231 nan 8.230 nan 0.000 0.432 439 A N -1.132 121.204 122.820 -0.806 0.000 1.972 439 A HA -0.134 4.185 4.320 -0.002 0.000 0.219 439 A C 2.279 179.611 177.584 -0.421 0.000 1.169 439 A CA 1.680 53.093 52.037 -1.041 0.000 0.635 439 A CB -0.554 18.209 19.000 -0.395 0.000 0.810 439 A HN 0.320 nan 8.150 nan 0.000 0.446 440 V N -0.338 119.361 119.914 -0.359 0.000 2.346 440 V HA -0.177 3.942 4.120 -0.002 0.000 0.244 440 V C 2.421 178.409 176.094 -0.177 0.000 1.037 440 V CA 1.549 63.663 62.300 -0.309 0.000 1.029 440 V CB -0.714 30.825 31.823 -0.472 0.000 0.663 440 V HN 0.646 nan 8.190 nan 0.000 0.454 441 L N -0.650 120.522 121.223 -0.084 0.000 2.081 441 L HA -0.271 4.068 4.340 -0.002 0.000 0.212 441 L C 2.277 179.228 176.870 0.135 0.000 1.080 441 L CA 2.166 57.005 54.840 -0.002 0.000 0.754 441 L CB -0.328 41.827 42.059 0.160 0.000 0.893 441 L HN 0.394 nan 8.230 nan 0.000 0.433 442 F N 0.167 120.129 119.950 0.020 0.000 2.031 442 F HA -0.336 4.190 4.527 -0.002 0.000 0.295 442 F C 2.732 178.667 175.800 0.226 0.000 1.133 442 F CA 1.925 60.051 58.000 0.210 0.000 1.188 442 F CB -0.284 38.845 39.000 0.215 0.000 0.974 442 F HN 0.164 nan 8.300 nan 0.000 0.473 443 Q N 0.021 119.852 119.800 0.051 0.000 2.118 443 Q HA -0.292 4.046 4.340 -0.002 0.000 0.211 443 Q C 1.917 177.855 176.000 -0.104 0.000 0.998 443 Q CA 2.394 58.183 55.803 -0.023 0.000 0.872 443 Q CB -0.199 28.553 28.738 0.023 0.000 0.925 443 Q HN 0.385 nan 8.270 nan 0.000 0.414 444 M N 0.046 119.595 119.600 -0.085 0.000 2.686 444 M HA -0.018 4.461 4.480 -0.002 0.000 0.246 444 M C 1.091 177.352 176.300 -0.064 0.000 1.096 444 M CA 1.226 56.461 55.300 -0.109 0.000 1.076 444 M CB -0.290 32.215 32.600 -0.159 0.000 1.504 444 M HN 0.363 nan 8.290 nan 0.000 0.524 445 T N -4.554 110.017 114.554 0.029 0.000 3.144 445 T HA 0.166 4.515 4.350 -0.002 0.000 0.290 445 T C -0.027 174.835 174.700 0.269 0.000 0.966 445 T CA -0.435 61.751 62.100 0.143 0.000 0.907 445 T CB 0.002 69.009 68.868 0.231 0.000 1.152 445 T HN 0.093 nan 8.240 nan 0.000 0.532 446 Y N 1.657 121.871 120.300 -0.144 0.000 2.496 446 Y HA 0.693 5.242 4.550 -0.002 0.000 0.325 446 Y C -0.225 175.537 175.900 -0.229 0.000 1.271 446 Y CA -2.676 55.230 58.100 -0.323 0.000 1.368 446 Y CB 0.706 38.664 38.460 -0.837 0.000 1.415 446 Y HN 0.137 nan 8.280 nan 0.000 0.527 447 L N 2.794 123.370 121.223 -1.078 0.000 2.313 447 L HA 0.562 4.900 4.340 -0.002 0.000 0.282 447 L C 0.088 176.585 176.870 -0.622 0.000 1.092 447 L CA 1.216 55.595 54.840 -0.770 0.000 0.831 447 L CB -0.170 41.403 42.059 -0.811 0.000 1.159 447 L HN 0.854 nan 8.230 nan 0.000 0.442 448 G N 2.656 111.234 108.800 -0.369 0.000 2.315 448 G HA2 0.013 3.971 3.960 -0.002 0.000 0.296 448 G HA3 0.013 3.971 3.960 -0.002 0.000 0.296 448 G C -0.972 173.789 174.900 -0.231 0.000 1.289 448 G CA -0.468 44.465 45.100 -0.279 0.000 0.996 448 G HN 0.556 nan 8.290 nan 0.000 0.487 449 T N 2.955 117.392 114.554 -0.196 0.000 2.758 449 T HA 0.633 4.982 4.350 -0.002 0.000 0.285 449 T C -2.679 171.839 174.700 -0.304 0.000 0.981 449 T CA -0.744 61.228 62.100 -0.214 0.000 0.965 449 T CB 1.929 70.691 68.868 -0.177 0.000 0.927 449 T HN 0.359 nan 8.240 nan 0.000 0.448 450 P HA 0.216 nan 4.420 nan 0.000 0.271 450 P C -0.800 176.330 177.300 -0.284 0.000 1.226 450 P CA -0.353 62.591 63.100 -0.261 0.000 0.765 450 P CB 0.485 32.078 31.700 -0.179 0.000 0.835 451 L N 5.600 126.661 121.223 -0.271 0.000 2.316 451 L HA 0.472 4.810 4.340 -0.002 0.000 0.280 451 L C -0.668 176.115 176.870 -0.144 0.000 1.006 451 L CA -0.732 53.942 54.840 -0.276 0.000 0.836 451 L CB 0.453 42.351 42.059 -0.269 0.000 1.221 451 L HN 0.277 nan 8.230 nan 0.000 0.418 452 I N 4.569 125.040 120.570 -0.164 0.000 2.331 452 I HA 0.136 4.305 4.170 -0.002 0.000 0.292 452 I C -0.764 175.172 176.117 -0.301 0.000 0.998 452 I CA -0.605 60.581 61.300 -0.191 0.000 1.267 452 I CB 1.152 38.996 38.000 -0.260 0.000 1.386 452 I HN 0.478 nan 8.210 nan 0.000 0.476 453 Y N 8.391 128.530 120.300 -0.268 0.000 2.365 453 Y HA 0.177 4.726 4.550 -0.002 0.000 0.340 453 Y C 0.090 175.784 175.900 -0.343 0.000 1.016 453 Y CA -1.106 56.864 58.100 -0.217 0.000 1.196 453 Y CB 0.259 38.679 38.460 -0.067 0.000 1.167 453 Y HN 0.463 nan 8.280 nan 0.000 0.509 454 Y N 4.862 124.666 120.300 -0.826 0.000 2.996 454 Y HA 0.227 4.776 4.550 -0.002 0.000 0.347 454 Y C 1.049 176.825 175.900 -0.207 0.000 1.276 454 Y CA 0.419 58.268 58.100 -0.419 0.000 1.601 454 Y CB -0.132 38.329 38.460 0.002 0.000 1.193 454 Y HN 0.950 nan 8.280 nan 0.000 0.582 455 G N 2.892 111.648 108.800 -0.074 0.000 2.345 455 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.218 455 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.218 455 G C 0.833 175.696 174.900 -0.062 0.000 1.058 455 G CA 0.262 45.263 45.100 -0.164 0.000 0.632 455 G HN 0.614 nan 8.290 nan 0.000 0.508 456 D N 1.561 121.943 120.400 -0.029 0.000 2.182 456 D HA -0.070 4.569 4.640 -0.002 0.000 0.201 456 D C 2.438 178.875 176.300 0.228 0.000 0.986 456 D CA 1.448 55.554 54.000 0.176 0.000 0.847 456 D CB -0.144 40.866 40.800 0.350 0.000 0.942 456 D HN 0.754 nan 8.370 nan 0.000 0.467 457 E N 1.366 121.562 120.200 -0.006 0.000 2.409 457 E HA -0.145 4.204 4.350 -0.002 0.000 0.198 457 E C 2.007 178.806 176.600 0.332 0.000 1.024 457 E CA 0.550 56.909 56.400 -0.068 0.000 0.861 457 E CB -0.415 29.152 29.700 -0.220 0.000 0.788 457 E HN 0.527 nan 8.360 nan 0.000 0.521 458 I N -5.163 115.547 120.570 0.233 0.000 4.181 458 I HA 0.543 4.712 4.170 -0.002 0.000 0.331 458 I C 1.383 177.545 176.117 0.075 0.000 1.312 458 I CA 0.205 61.617 61.300 0.187 0.000 1.146 458 I CB 1.008 39.060 38.000 0.086 0.000 1.074 458 I HN 0.078 nan 8.210 nan 0.000 0.402 459 G N 1.631 110.443 108.800 0.020 0.000 2.192 459 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.193 459 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.193 459 G C 0.240 175.069 174.900 -0.118 0.000 0.999 459 G CA -0.128 44.909 45.100 -0.105 0.000 0.659 459 G HN 0.241 nan 8.290 nan 0.000 0.503 460 M N 1.071 120.617 119.600 -0.089 0.000 2.216 460 M HA 0.341 4.819 4.480 -0.002 0.000 0.317 460 M C 0.844 177.100 176.300 -0.073 0.000 1.015 460 M CA 1.626 56.867 55.300 -0.099 0.000 1.045 460 M CB 0.436 32.951 32.600 -0.141 0.000 1.538 460 M HN 0.778 nan 8.290 nan 0.000 0.440 461 A N 1.301 124.083 122.820 -0.063 0.000 2.524 461 A HA 1.033 5.351 4.320 -0.002 0.000 0.286 461 A C -0.219 177.352 177.584 -0.021 0.000 1.203 461 A CA -0.038 51.978 52.037 -0.035 0.000 0.736 461 A CB 1.782 20.752 19.000 -0.051 0.000 1.322 461 A HN 1.062 nan 8.150 nan 0.000 0.424 462 G N -2.382 106.413 108.800 -0.008 0.000 2.369 462 G HA2 0.631 4.590 3.960 -0.002 0.000 0.293 462 G HA3 0.631 4.590 3.960 -0.002 0.000 0.293 462 G C -0.555 174.348 174.900 0.005 0.000 1.301 462 G CA 0.159 45.259 45.100 -0.001 0.000 0.913 462 G HN 2.124 nan 8.290 nan 0.000 0.540 463 A N -0.924 121.901 122.820 0.008 0.000 2.312 463 A HA 0.949 5.267 4.320 -0.002 0.000 0.310 463 A C 1.018 178.606 177.584 0.007 0.000 1.139 463 A CA 0.784 52.823 52.037 0.004 0.000 0.886 463 A CB 0.922 19.924 19.000 0.003 0.000 1.350 463 A HN 2.195 nan 8.150 nan 0.000 0.479 464 T N -0.177 114.374 114.554 -0.004 0.000 2.519 464 T HA -0.008 4.341 4.350 -0.002 0.000 0.399 464 T C 0.017 174.724 174.700 0.013 0.000 1.055 464 T CA 0.960 63.052 62.100 -0.014 0.000 1.077 464 T CB -0.515 68.343 68.868 -0.016 0.000 1.057 464 T HN 0.641 nan 8.240 nan 0.000 0.541 465 D N 2.348 122.759 120.400 0.018 0.000 2.571 465 D HA 0.109 4.748 4.640 -0.002 0.000 0.231 465 D C -1.445 174.909 176.300 0.089 0.000 1.133 465 D CA -0.623 53.415 54.000 0.063 0.000 0.862 465 D CB 0.449 41.305 40.800 0.093 0.000 1.179 465 D HN 0.405 nan 8.370 nan 0.000 0.474 466 P HA 0.122 nan 4.420 nan 0.000 0.300 466 P C 0.017 177.380 177.300 0.105 0.000 1.397 466 P CA -0.010 63.158 63.100 0.113 0.000 1.127 466 P CB 0.568 32.350 31.700 0.136 0.000 1.572 467 D N 0.279 120.725 120.400 0.076 0.000 2.338 467 D HA -0.053 4.585 4.640 -0.002 0.000 0.239 467 D C 1.372 177.703 176.300 0.051 0.000 1.095 467 D CA 0.507 54.541 54.000 0.057 0.000 0.888 467 D CB -0.419 40.403 40.800 0.037 0.000 0.899 467 D HN 0.186 nan 8.370 nan 0.000 0.525 468 C N -1.847 117.494 119.300 0.070 0.000 2.935 468 C HA 0.378 4.836 4.460 -0.002 0.000 0.308 468 C C 1.415 176.509 174.990 0.172 0.000 1.263 468 C CA -0.643 58.427 59.018 0.088 0.000 1.738 468 C CB -0.610 27.154 27.740 0.039 0.000 2.237 468 C HN 0.008 nan 8.230 nan 0.000 0.600 469 R N 1.749 122.350 120.500 0.169 0.000 3.351 469 R HA 0.266 4.605 4.340 -0.002 0.000 0.296 469 R C -0.217 176.233 176.300 0.251 0.000 1.427 469 R CA -0.148 56.115 56.100 0.272 0.000 1.257 469 R CB -0.121 30.310 30.300 0.218 0.000 1.378 469 R HN 0.527 nan 8.270 nan 0.000 0.610 470 R N 1.436 122.006 120.500 0.118 0.000 2.438 470 R HA 0.152 4.491 4.340 -0.002 0.000 0.287 470 R C -2.363 173.861 176.300 -0.126 0.000 1.077 470 R CA -2.013 54.060 56.100 -0.045 0.000 1.034 470 R CB 0.069 30.315 30.300 -0.089 0.000 0.993 470 R HN -0.061 nan 8.270 nan 0.000 0.459 471 P HA -0.126 nan 4.420 nan 0.000 0.260 471 P C 0.047 177.048 177.300 -0.499 0.000 1.172 471 P CA 0.173 62.768 63.100 -0.841 0.000 0.760 471 P CB 0.340 30.968 31.700 -1.786 0.000 0.773 472 M N 4.994 124.473 119.600 -0.201 0.000 2.245 472 M HA 0.014 4.493 4.480 -0.002 0.000 0.335 472 M C -0.693 175.329 176.300 -0.464 0.000 1.155 472 M CA 0.914 56.056 55.300 -0.262 0.000 1.055 472 M CB -0.413 31.926 32.600 -0.435 0.000 1.670 472 M HN 0.205 nan 8.290 nan 0.000 0.447 473 I N 5.746 126.002 120.570 -0.525 0.000 2.315 473 I HA 0.101 4.270 4.170 -0.002 0.000 0.291 473 I C -0.372 175.420 176.117 -0.541 0.000 1.006 473 I CA 0.062 61.141 61.300 -0.368 0.000 1.265 473 I CB 0.840 38.704 38.000 -0.226 0.000 1.387 473 I HN 0.918 nan 8.210 nan 0.000 0.475 474 W N 2.210 123.491 121.300 -0.031 0.000 2.842 474 W HA 0.137 4.796 4.660 -0.002 0.000 0.267 474 W C 1.105 177.545 176.519 -0.131 0.000 1.219 474 W CA -0.311 56.947 57.345 -0.146 0.000 1.458 474 W CB 0.514 29.883 29.460 -0.153 0.000 1.006 474 W HN 0.333 nan 8.180 nan 0.000 0.603 475 E N 2.392 122.671 120.200 0.131 0.000 2.238 475 E HA -0.064 4.285 4.350 -0.002 0.000 0.264 475 E C 0.637 177.248 176.600 0.018 0.000 1.136 475 E CA 0.452 56.890 56.400 0.064 0.000 0.929 475 E CB 0.461 30.196 29.700 0.058 0.000 1.010 475 E HN 0.413 nan 8.360 nan 0.000 0.440 476 E N 3.174 123.378 120.200 0.006 0.000 2.492 476 E HA -0.181 4.167 4.350 -0.002 0.000 0.204 476 E C 0.793 177.392 176.600 -0.002 0.000 1.073 476 E CA 0.520 56.913 56.400 -0.012 0.000 0.887 476 E CB 0.356 30.047 29.700 -0.016 0.000 0.813 476 E HN 0.236 nan 8.360 nan 0.000 0.562 477 K N 0.169 120.571 120.400 0.003 0.000 2.365 477 K HA 0.063 4.382 4.320 -0.002 0.000 0.195 477 K C 1.087 177.688 176.600 0.001 0.000 1.079 477 K CA 0.408 56.698 56.287 0.006 0.000 0.979 477 K CB 0.489 32.995 32.500 0.009 0.000 0.929 477 K HN 0.057 nan 8.250 nan 0.000 0.523 478 E N 1.133 121.331 120.200 -0.004 0.000 2.437 478 E HA 0.046 4.395 4.350 -0.002 0.000 0.189 478 E C -0.362 176.220 176.600 -0.030 0.000 1.054 478 E CA 0.061 56.452 56.400 -0.015 0.000 0.874 478 E CB 0.400 30.092 29.700 -0.013 0.000 1.011 478 E HN 0.178 nan 8.360 nan 0.000 0.474 479 Q N 0.662 120.449 119.800 -0.022 0.000 2.333 479 Q HA 0.223 4.562 4.340 -0.002 0.000 0.267 479 Q C -0.556 175.455 176.000 0.019 0.000 1.012 479 Q CA -0.742 55.049 55.803 -0.020 0.000 0.824 479 Q CB 1.291 30.005 28.738 -0.040 0.000 1.290 479 Q HN -0.058 nan 8.270 nan 0.000 0.449 480 N N 2.666 121.390 118.700 0.040 0.000 2.819 480 N HA -0.028 4.711 4.740 -0.002 0.000 0.284 480 N C 0.591 176.187 175.510 0.144 0.000 1.196 480 N CA 0.218 53.309 53.050 0.069 0.000 1.114 480 N CB 0.218 38.736 38.487 0.052 0.000 1.437 480 N HN 0.461 nan 8.380 nan 0.000 0.518 481 R N 1.404 121.979 120.500 0.125 0.000 2.200 481 R HA -0.069 4.269 4.340 -0.002 0.000 0.234 481 R C 1.541 177.995 176.300 0.257 0.000 1.127 481 R CA 1.001 57.212 56.100 0.185 0.000 0.989 481 R CB -0.692 29.672 30.300 0.107 0.000 0.869 481 R HN 0.604 nan 8.270 nan 0.000 0.459 482 G N 0.529 109.438 108.800 0.183 0.000 2.402 482 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.216 482 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.216 482 G C 1.404 176.443 174.900 0.230 0.000 1.162 482 G CA 0.313 45.514 45.100 0.169 0.000 0.777 482 G HN 0.289 nan 8.290 nan 0.000 0.539 483 L N -0.206 121.169 121.223 0.254 0.000 2.027 483 L HA 0.164 4.502 4.340 -0.002 0.000 0.206 483 L C 2.475 179.642 176.870 0.494 0.000 1.074 483 L CA 1.563 56.614 54.840 0.352 0.000 0.745 483 L CB -0.750 41.493 42.059 0.306 0.000 0.898 483 L HN 0.246 nan 8.230 nan 0.000 0.433 484 F N 0.326 120.465 119.950 0.316 0.000 2.154 484 F HA -0.255 4.271 4.527 -0.002 0.000 0.301 484 F C 2.300 178.263 175.800 0.271 0.000 1.087 484 F CA 1.889 60.068 58.000 0.299 0.000 1.274 484 F CB -0.079 39.062 39.000 0.235 0.000 1.009 484 F HN 0.192 nan 8.300 nan 0.000 0.485 485 E N -0.308 120.084 120.200 0.319 0.000 2.216 485 E HA -0.177 4.171 4.350 -0.002 0.000 0.192 485 E C 2.100 178.799 176.600 0.165 0.000 0.988 485 E CA 0.851 57.361 56.400 0.184 0.000 0.834 485 E CB -0.625 29.221 29.700 0.243 0.000 0.772 485 E HN 0.590 nan 8.360 nan 0.000 0.479 486 F N 0.182 120.177 119.950 0.074 0.000 2.084 486 F HA -0.272 4.254 4.527 -0.002 0.000 0.296 486 F C 2.116 177.915 175.800 -0.002 0.000 1.111 486 F CA 1.192 59.209 58.000 0.028 0.000 1.224 486 F CB -0.215 38.799 39.000 0.023 0.000 0.991 486 F HN -0.044 nan 8.300 nan 0.000 0.471 487 Y N 1.158 121.358 120.300 -0.166 0.000 2.053 487 Y HA -0.343 4.206 4.550 -0.002 0.000 0.277 487 Y C 2.488 178.201 175.900 -0.313 0.000 1.159 487 Y CA 2.277 60.202 58.100 -0.291 0.000 1.125 487 Y CB -0.674 37.685 38.460 -0.167 0.000 0.969 487 Y HN -0.039 nan 8.280 nan 0.000 0.492 488 K N -0.082 120.232 120.400 -0.144 0.000 2.071 488 K HA -0.358 3.961 4.320 -0.002 0.000 0.217 488 K C 2.055 178.574 176.600 -0.134 0.000 1.054 488 K CA 2.214 58.382 56.287 -0.198 0.000 0.937 488 K CB -0.419 31.929 32.500 -0.254 0.000 0.719 488 K HN 0.426 nan 8.250 nan 0.000 0.454 489 E N 0.862 120.996 120.200 -0.111 0.000 2.085 489 E HA -0.207 4.142 4.350 -0.002 0.000 0.194 489 E C 2.052 178.564 176.600 -0.148 0.000 0.994 489 E CA 1.081 57.427 56.400 -0.090 0.000 0.801 489 E CB 0.004 29.689 29.700 -0.027 0.000 0.743 489 E HN 0.254 nan 8.360 nan 0.000 0.453 490 L N 0.654 121.732 121.223 -0.242 0.000 2.005 490 L HA -0.186 4.152 4.340 -0.002 0.000 0.207 490 L C 2.555 179.285 176.870 -0.234 0.000 1.072 490 L CA 0.535 55.221 54.840 -0.256 0.000 0.744 490 L CB -0.476 41.358 42.059 -0.375 0.000 0.895 490 L HN 0.225 nan 8.230 nan 0.000 0.433 491 I N 0.087 120.520 120.570 -0.227 0.000 2.151 491 I HA -0.349 3.819 4.170 -0.002 0.000 0.243 491 I C 2.715 178.616 176.117 -0.361 0.000 1.080 491 I CA 1.678 62.798 61.300 -0.300 0.000 1.339 491 I CB -1.148 36.748 38.000 -0.174 0.000 1.039 491 I HN 0.382 nan 8.210 nan 0.000 0.409 492 R N 0.759 121.157 120.500 -0.170 0.000 2.091 492 R HA -0.152 4.187 4.340 -0.002 0.000 0.238 492 R C 2.437 178.671 176.300 -0.109 0.000 1.136 492 R CA 1.267 57.322 56.100 -0.076 0.000 0.959 492 R CB -0.093 30.175 30.300 -0.052 0.000 0.856 492 R HN 0.333 nan 8.270 nan 0.000 0.437 493 L N -0.343 120.790 121.223 -0.150 0.000 2.072 493 L HA -0.108 4.230 4.340 -0.002 0.000 0.205 493 L C 2.764 179.534 176.870 -0.168 0.000 1.079 493 L CA 1.053 55.803 54.840 -0.150 0.000 0.752 493 L CB -0.400 41.579 42.059 -0.133 0.000 0.906 493 L HN 0.223 nan 8.230 nan 0.000 0.436 494 R N -0.688 119.674 120.500 -0.229 0.000 2.103 494 R HA -0.219 4.120 4.340 -0.002 0.000 0.242 494 R C 2.362 178.558 176.300 -0.173 0.000 1.142 494 R CA 1.669 57.626 56.100 -0.239 0.000 0.960 494 R CB -0.165 29.922 30.300 -0.354 0.000 0.858 494 R HN 0.434 nan 8.270 nan 0.000 0.439 495 H N -0.533 118.488 119.070 -0.081 0.000 2.428 495 H HA 0.023 4.578 4.556 -0.002 0.000 0.296 495 H C 2.060 177.335 175.328 -0.089 0.000 1.062 495 H CA 0.991 56.995 56.048 -0.073 0.000 1.350 495 H CB 0.007 29.732 29.762 -0.062 0.000 1.403 495 H HN 0.242 nan 8.280 nan 0.000 0.533 496 R N 0.259 120.752 120.500 -0.012 0.000 2.073 496 R HA 0.071 4.409 4.340 -0.002 0.000 0.229 496 R C 0.352 176.562 176.300 -0.151 0.000 1.120 496 R CA 0.337 56.380 56.100 -0.094 0.000 0.967 496 R CB 0.019 30.226 30.300 -0.156 0.000 0.862 496 R HN 0.110 nan 8.270 nan 0.000 0.436 497 L N 0.779 121.901 121.223 -0.168 0.000 2.260 497 L HA 0.218 4.557 4.340 -0.002 0.000 0.289 497 L C 1.289 178.109 176.870 -0.084 0.000 1.057 497 L CA -0.486 54.248 54.840 -0.177 0.000 0.811 497 L CB 1.592 43.526 42.059 -0.208 0.000 1.184 497 L HN 0.097 nan 8.230 nan 0.000 0.429 498 A N 2.652 125.438 122.820 -0.055 0.000 1.869 498 A HA -0.243 4.076 4.320 -0.002 0.000 0.218 498 A C 2.343 179.909 177.584 -0.030 0.000 1.203 498 A CA 2.358 54.377 52.037 -0.030 0.000 0.638 498 A CB -0.775 18.216 19.000 -0.015 0.000 0.831 498 A HN 0.842 nan 8.150 nan 0.000 0.450 499 S N -0.002 115.687 115.700 -0.019 0.000 2.440 499 S HA -0.103 4.365 4.470 -0.002 0.000 0.240 499 S C 1.622 176.214 174.600 -0.014 0.000 1.014 499 S CA 1.559 59.748 58.200 -0.019 0.000 0.980 499 S CB -0.703 62.495 63.200 -0.003 0.000 0.775 499 S HN 0.457 nan 8.310 nan 0.000 0.499 500 L N 1.579 122.792 121.223 -0.017 0.000 2.478 500 L HA 0.029 4.368 4.340 -0.002 0.000 0.223 500 L C 2.673 179.510 176.870 -0.055 0.000 1.140 500 L CA 1.280 56.109 54.840 -0.018 0.000 0.842 500 L CB -0.645 41.396 42.059 -0.030 0.000 0.953 500 L HN 0.655 nan 8.230 nan 0.000 0.452 501 T N -4.583 109.938 114.554 -0.055 0.000 3.058 501 T HA 0.090 4.438 4.350 -0.002 0.000 0.247 501 T C 1.583 176.237 174.700 -0.076 0.000 0.987 501 T CA -0.259 61.802 62.100 -0.064 0.000 1.062 501 T CB 0.169 69.020 68.868 -0.029 0.000 1.048 501 T HN 0.119 nan 8.240 nan 0.000 0.468 502 R N 1.077 121.539 120.500 -0.064 0.000 2.662 502 R HA 0.500 4.838 4.340 -0.002 0.000 0.396 502 R C 0.521 176.779 176.300 -0.070 0.000 1.096 502 R CA -0.380 55.678 56.100 -0.070 0.000 1.081 502 R CB 1.250 31.517 30.300 -0.056 0.000 1.382 502 R HN 0.453 nan 8.270 nan 0.000 0.580 503 G N 0.232 108.990 108.800 -0.069 0.000 2.471 503 G HA2 0.196 4.155 3.960 -0.002 0.000 0.332 503 G HA3 0.196 4.155 3.960 -0.002 0.000 0.332 503 G C -0.406 174.451 174.900 -0.073 0.000 1.176 503 G CA -0.821 44.240 45.100 -0.066 0.000 0.949 503 G HN 0.322 nan 8.290 nan 0.000 0.488 504 N N -2.004 116.658 118.700 -0.062 0.000 2.322 504 N HA 0.462 5.201 4.740 -0.002 0.000 0.270 504 N C -0.938 174.557 175.510 -0.025 0.000 1.286 504 N CA -0.659 52.356 53.050 -0.058 0.000 0.948 504 N CB 1.215 39.677 38.487 -0.041 0.000 1.164 504 N HN 0.228 nan 8.380 nan 0.000 0.551 505 V N -0.113 119.792 119.914 -0.015 0.000 2.623 505 V HA 0.474 4.592 4.120 -0.002 0.000 0.304 505 V C -0.672 175.480 176.094 0.097 0.000 1.054 505 V CA -0.840 61.497 62.300 0.061 0.000 0.882 505 V CB 1.414 33.233 31.823 -0.005 0.000 1.002 505 V HN 0.672 nan 8.190 nan 0.000 0.424 506 R N 2.001 122.606 120.500 0.174 0.000 2.538 506 R HA 0.548 4.887 4.340 -0.002 0.000 0.292 506 R C -0.327 176.136 176.300 0.273 0.000 1.008 506 R CA -0.600 55.604 56.100 0.173 0.000 0.896 506 R CB 2.144 32.521 30.300 0.129 0.000 1.187 506 R HN 0.730 nan 8.270 nan 0.000 0.440 507 S N 1.331 117.203 115.700 0.287 0.000 2.566 507 S HA -0.019 4.450 4.470 -0.002 0.000 0.280 507 S C 0.377 175.224 174.600 0.412 0.000 1.343 507 S CA 0.040 58.474 58.200 0.389 0.000 1.036 507 S CB 0.516 63.932 63.200 0.360 0.000 0.866 507 S HN 0.723 nan 8.310 nan 0.000 0.526 508 W N 1.847 123.257 121.300 0.182 0.000 2.942 508 W HA 0.300 4.959 4.660 -0.002 0.000 0.260 508 W C 0.141 176.774 176.519 0.190 0.000 1.101 508 W CA 0.438 57.861 57.345 0.130 0.000 1.436 508 W CB 0.277 29.771 29.460 0.056 0.000 0.883 508 W HN 0.767 nan 8.180 nan 0.000 0.646 509 H N -0.119 119.053 119.070 0.171 0.000 3.114 509 H HA 0.491 5.046 4.556 -0.002 0.000 0.325 509 H C -1.786 173.685 175.328 0.239 0.000 1.206 509 H CA 0.309 56.387 56.048 0.051 0.000 1.316 509 H CB 1.387 31.012 29.762 -0.229 0.000 1.981 509 H HN -0.098 nan 8.280 nan 0.000 0.527 510 A N 4.002 126.919 122.820 0.160 0.000 2.547 510 A HA 0.282 4.601 4.320 -0.002 0.000 0.279 510 A C -1.566 176.084 177.584 0.110 0.000 1.088 510 A CA -0.638 51.573 52.037 0.289 0.000 0.796 510 A CB 0.974 20.084 19.000 0.183 0.000 1.308 510 A HN 0.500 nan 8.150 nan 0.000 0.415 511 D N 3.026 123.571 120.400 0.242 0.000 2.441 511 D HA 0.194 4.833 4.640 -0.002 0.000 0.231 511 D C 1.178 177.562 176.300 0.140 0.000 1.073 511 D CA -0.421 53.675 54.000 0.161 0.000 0.850 511 D CB 1.303 42.255 40.800 0.253 0.000 1.062 511 D HN 0.613 nan 8.370 nan 0.000 0.524 512 K N 2.713 123.165 120.400 0.085 0.000 2.281 512 K HA -0.246 4.073 4.320 -0.002 0.000 0.203 512 K C 1.333 177.895 176.600 -0.063 0.000 1.046 512 K CA 1.039 57.339 56.287 0.021 0.000 0.938 512 K CB 0.232 32.564 32.500 -0.280 0.000 0.737 512 K HN 0.182 nan 8.250 nan 0.000 0.458 513 Q N 1.470 121.250 119.800 -0.032 0.000 1.961 513 Q HA 0.084 4.423 4.340 -0.002 0.000 0.197 513 Q C 2.133 178.134 176.000 0.001 0.000 0.977 513 Q CA 2.115 57.898 55.803 -0.034 0.000 0.830 513 Q CB -0.672 28.049 28.738 -0.028 0.000 0.896 513 Q HN 0.382 nan 8.270 nan 0.000 0.437 514 A N 0.319 123.156 122.820 0.028 0.000 2.178 514 A HA -0.084 4.235 4.320 -0.002 0.000 0.218 514 A C 0.783 178.398 177.584 0.051 0.000 1.157 514 A CA 1.097 53.150 52.037 0.027 0.000 0.689 514 A CB -0.798 18.219 19.000 0.028 0.000 0.787 514 A HN 0.719 nan 8.150 nan 0.000 0.465 515 N N -2.086 116.671 118.700 0.094 0.000 2.735 515 N HA -0.159 4.580 4.740 -0.002 0.000 0.248 515 N C -0.357 175.273 175.510 0.200 0.000 1.083 515 N CA 0.910 54.048 53.050 0.147 0.000 0.703 515 N CB -1.684 36.836 38.487 0.054 0.000 1.005 515 N HN 0.627 nan 8.380 nan 0.000 0.550 516 L N 0.461 121.811 121.223 0.213 0.000 2.322 516 L HA 0.613 4.952 4.340 -0.002 0.000 0.279 516 L C -0.634 176.463 176.870 0.378 0.000 1.036 516 L CA -0.917 54.056 54.840 0.222 0.000 0.807 516 L CB 0.986 43.084 42.059 0.066 0.000 1.226 516 L HN 0.240 nan 8.230 nan 0.000 0.433 517 Y N 4.214 124.649 120.300 0.225 0.000 2.492 517 Y HA 0.749 5.298 4.550 -0.002 0.000 0.346 517 Y C -0.993 175.052 175.900 0.240 0.000 0.997 517 Y CA -0.762 57.482 58.100 0.240 0.000 1.025 517 Y CB 1.990 40.583 38.460 0.221 0.000 1.263 517 Y HN 0.742 nan 8.280 nan 0.000 0.454 518 A N 4.970 127.559 122.820 -0.385 0.000 2.572 518 A HA 0.801 5.120 4.320 -0.002 0.000 0.295 518 A C -2.067 175.444 177.584 -0.122 0.000 1.072 518 A CA -0.553 51.327 52.037 -0.262 0.000 0.691 518 A CB 1.156 20.120 19.000 -0.060 0.000 1.291 518 A HN 0.883 nan 8.150 nan 0.000 0.404 519 F N -0.715 119.255 119.950 0.032 0.000 2.668 519 F HA 0.799 5.325 4.527 -0.002 0.000 0.309 519 F C -1.311 174.574 175.800 0.143 0.000 1.117 519 F CA -1.231 56.846 58.000 0.129 0.000 0.951 519 F CB 1.216 40.270 39.000 0.090 0.000 1.323 519 F HN 0.377 nan 8.300 nan 0.000 0.451 520 V N 2.466 122.516 119.914 0.228 0.000 2.555 520 V HA 0.629 4.748 4.120 -0.002 0.000 0.302 520 V C -0.524 175.687 176.094 0.194 0.000 1.038 520 V CA -0.839 61.488 62.300 0.044 0.000 0.887 520 V CB 1.786 33.521 31.823 -0.147 0.000 0.991 520 V HN 0.689 nan 8.190 nan 0.000 0.434 521 R N 2.499 123.089 120.500 0.150 0.000 2.295 521 R HA 0.688 5.026 4.340 -0.002 0.000 0.324 521 R C -0.572 175.726 176.300 -0.004 0.000 0.968 521 R CA -0.343 55.828 56.100 0.117 0.000 0.837 521 R CB 1.539 31.927 30.300 0.147 0.000 1.133 521 R HN 0.785 nan 8.270 nan 0.000 0.450 522 T N 0.610 115.119 114.554 -0.074 0.000 2.893 522 T HA 0.541 4.890 4.350 -0.002 0.000 0.293 522 T C -0.950 173.653 174.700 -0.161 0.000 1.027 522 T CA -0.727 61.236 62.100 -0.229 0.000 0.988 522 T CB 2.320 70.971 68.868 -0.362 0.000 1.043 522 T HN 0.265 nan 8.240 nan 0.000 0.461 523 V N 3.546 123.356 119.914 -0.174 0.000 2.852 523 V HA 0.390 4.509 4.120 -0.002 0.000 0.300 523 V C -0.406 175.631 176.094 -0.095 0.000 1.205 523 V CA -0.365 61.873 62.300 -0.102 0.000 0.940 523 V CB 1.610 33.395 31.823 -0.064 0.000 1.047 523 V HN 0.922 nan 8.190 nan 0.000 0.429 524 Q N 3.750 123.511 119.800 -0.066 0.000 2.059 524 Q HA -0.289 4.050 4.340 -0.002 0.000 0.424 524 Q C 0.423 176.396 176.000 -0.046 0.000 0.752 524 Q CA 2.579 58.358 55.803 -0.039 0.000 0.867 524 Q CB -0.829 27.897 28.738 -0.020 0.000 3.364 524 Q HN 1.064 nan 8.270 nan 0.000 0.848 525 D N 1.247 121.638 120.400 -0.014 0.000 2.460 525 D HA 0.157 4.796 4.640 -0.002 0.000 0.229 525 D C -0.000 176.322 176.300 0.037 0.000 1.170 525 D CA 0.136 54.149 54.000 0.022 0.000 0.827 525 D CB 0.223 41.036 40.800 0.020 0.000 0.973 525 D HN 0.098 nan 8.370 nan 0.000 0.496 526 Q N 0.781 120.560 119.800 -0.035 0.000 2.333 526 Q HA 0.313 4.652 4.340 -0.002 0.000 0.265 526 Q C -1.218 174.726 176.000 -0.093 0.000 0.989 526 Q CA -0.733 55.092 55.803 0.036 0.000 0.842 526 Q CB 0.892 29.689 28.738 0.098 0.000 1.262 526 Q HN 0.252 nan 8.270 nan 0.000 0.451 527 H N 0.757 119.849 119.070 0.036 0.000 2.572 527 H HA 0.570 5.125 4.556 -0.002 0.000 0.359 527 H C -1.140 174.274 175.328 0.143 0.000 1.134 527 H CA -0.563 55.522 56.048 0.061 0.000 1.187 527 H CB 2.054 31.849 29.762 0.055 0.000 1.597 527 H HN 0.258 nan 8.280 nan 0.000 0.524 528 V N 2.470 122.520 119.914 0.227 0.000 2.462 528 V HA 0.423 4.542 4.120 -0.002 0.000 0.288 528 V C 0.337 176.467 176.094 0.061 0.000 1.020 528 V CA -0.887 61.540 62.300 0.211 0.000 0.857 528 V CB 1.720 33.645 31.823 0.169 0.000 1.013 528 V HN 0.996 nan 8.190 nan 0.000 0.431 529 G N 3.511 112.321 108.800 0.015 0.000 2.333 529 G HA2 0.510 4.469 3.960 -0.002 0.000 0.290 529 G HA3 0.510 4.469 3.960 -0.002 0.000 0.290 529 G C -0.558 174.319 174.900 -0.039 0.000 1.150 529 G CA -0.268 44.717 45.100 -0.191 0.000 0.895 529 G HN 0.526 nan 8.290 nan 0.000 0.444 530 V N 3.923 123.645 119.914 -0.320 0.000 2.333 530 V HA 0.211 4.330 4.120 -0.002 0.000 0.274 530 V C 0.057 175.995 176.094 -0.260 0.000 1.028 530 V CA -0.573 61.504 62.300 -0.373 0.000 0.851 530 V CB 1.252 32.579 31.823 -0.826 0.000 1.000 530 V HN 0.495 nan 8.190 nan 0.000 0.456 531 V N 7.107 127.008 119.914 -0.022 0.000 2.370 531 V HA 0.446 4.564 4.120 -0.002 0.000 0.279 531 V C -0.060 176.075 176.094 0.068 0.000 1.029 531 V CA -0.438 61.861 62.300 -0.001 0.000 0.870 531 V CB 1.411 33.222 31.823 -0.019 0.000 0.984 531 V HN 0.613 nan 8.190 nan 0.000 0.451 532 L N 4.234 125.534 121.223 0.128 0.000 2.305 532 L HA 0.508 4.847 4.340 -0.002 0.000 0.284 532 L C 0.017 177.019 176.870 0.221 0.000 1.013 532 L CA -0.468 54.516 54.840 0.240 0.000 0.819 532 L CB 1.409 43.720 42.059 0.420 0.000 1.227 532 L HN 0.592 nan 8.230 nan 0.000 0.417 533 N N 2.005 120.812 118.700 0.179 0.000 2.918 533 N HA 0.037 4.776 4.740 -0.002 0.000 0.247 533 N C 0.373 176.006 175.510 0.205 0.000 1.117 533 N CA -0.163 52.968 53.050 0.135 0.000 1.005 533 N CB 0.196 38.721 38.487 0.064 0.000 1.297 533 N HN 0.417 nan 8.380 nan 0.000 0.513 534 N N 1.707 120.525 118.700 0.196 0.000 2.542 534 N HA 0.017 4.756 4.740 -0.002 0.000 0.234 534 N C -0.849 174.778 175.510 0.196 0.000 1.257 534 N CA 0.147 53.273 53.050 0.127 0.000 0.883 534 N CB -0.169 38.094 38.487 -0.374 0.000 1.197 534 N HN 0.449 nan 8.380 nan 0.000 0.488 535 R N -0.861 119.747 120.500 0.181 0.000 2.502 535 R HA 0.384 4.723 4.340 -0.002 0.000 0.298 535 R C -0.291 175.652 176.300 -0.595 0.000 1.018 535 R CA -0.751 55.331 56.100 -0.030 0.000 0.899 535 R CB 0.906 31.172 30.300 -0.056 0.000 1.181 535 R HN 0.184 nan 8.270 nan 0.000 0.444 536 G N 3.549 111.657 108.800 -1.153 0.000 2.789 536 G HA2 0.052 4.011 3.960 -0.002 0.000 0.281 536 G HA3 0.052 4.011 3.960 -0.002 0.000 0.281 536 G C -0.372 174.206 174.900 -0.536 0.000 0.708 536 G CA 0.538 44.809 45.100 -1.382 0.000 2.067 536 G HN 0.672 nan 8.290 nan 0.000 0.554 537 E N 1.486 121.440 120.200 -0.410 0.000 3.538 537 E HA 0.034 4.383 4.350 -0.002 0.000 0.363 537 E C -0.305 176.197 176.600 -0.163 0.000 1.052 537 E CA -0.786 55.482 56.400 -0.221 0.000 0.848 537 E CB 0.648 30.246 29.700 -0.169 0.000 1.255 537 E HN 0.352 nan 8.360 nan 0.000 0.483 538 K N 3.109 123.436 120.400 -0.122 0.000 2.559 538 K HA -0.047 4.271 4.320 -0.002 0.000 0.279 538 K C -0.576 175.978 176.600 -0.076 0.000 0.967 538 K CA 1.113 57.348 56.287 -0.086 0.000 1.000 538 K CB 0.586 33.047 32.500 -0.065 0.000 0.890 538 K HN 0.519 nan 8.250 nan 0.000 0.501 539 Q N 1.017 120.778 119.800 -0.065 0.000 2.590 539 Q HA 0.339 4.677 4.340 -0.002 0.000 0.295 539 Q C -1.502 174.461 176.000 -0.061 0.000 0.973 539 Q CA -1.017 54.749 55.803 -0.062 0.000 0.768 539 Q CB 2.685 31.385 28.738 -0.062 0.000 1.479 539 Q HN 0.669 nan 8.270 nan 0.000 0.419 540 T N 0.377 114.892 114.554 -0.066 0.000 2.900 540 T HA 0.707 5.055 4.350 -0.002 0.000 0.295 540 T C -1.446 173.193 174.700 -0.101 0.000 1.044 540 T CA -0.616 61.439 62.100 -0.074 0.000 0.995 540 T CB 1.900 70.733 68.868 -0.058 0.000 1.072 540 T HN 0.337 nan 8.240 nan 0.000 0.473 541 V N 2.273 122.105 119.914 -0.137 0.000 3.147 541 V HA 0.734 4.853 4.120 -0.002 0.000 0.306 541 V C -2.001 173.968 176.094 -0.207 0.000 1.209 541 V CA -0.946 61.234 62.300 -0.200 0.000 1.023 541 V CB 2.314 33.940 31.823 -0.329 0.000 1.059 541 V HN 0.700 nan 8.190 nan 0.000 0.435 542 L N 5.010 126.108 121.223 -0.207 0.000 2.318 542 L HA 0.633 4.972 4.340 -0.002 0.000 0.277 542 L C -0.287 176.445 176.870 -0.230 0.000 1.008 542 L CA 0.287 55.024 54.840 -0.172 0.000 0.846 542 L CB 1.042 43.050 42.059 -0.085 0.000 1.220 542 L HN 0.589 nan 8.230 nan 0.000 0.423 543 L N 3.091 124.110 121.223 -0.340 0.000 2.492 543 L HA 0.649 4.988 4.340 -0.002 0.000 0.263 543 L C -0.248 176.511 176.870 -0.184 0.000 1.062 543 L CA -0.771 53.768 54.840 -0.501 0.000 0.817 543 L CB 1.179 42.519 42.059 -1.197 0.000 1.441 543 L HN 0.618 nan 8.230 nan 0.000 0.493 544 Q N -0.508 119.319 119.800 0.046 0.000 4.056 544 Q HA 0.234 4.573 4.340 -0.002 0.000 0.163 544 Q C -1.785 174.394 176.000 0.299 0.000 0.865 544 Q CA -0.345 55.561 55.803 0.173 0.000 0.779 544 Q CB 0.276 29.064 28.738 0.084 0.000 1.500 544 Q HN 0.256 nan 8.270 nan 0.000 0.462 545 V N 3.490 123.542 119.914 0.231 0.000 2.364 545 V HA 0.087 4.206 4.120 -0.002 0.000 0.252 545 V C -1.340 174.788 176.094 0.057 0.000 1.075 545 V CA -0.623 61.702 62.300 0.043 0.000 1.033 545 V CB -0.069 31.637 31.823 -0.195 0.000 1.116 545 V HN 0.536 nan 8.190 nan 0.000 0.488 546 P HA -0.240 nan 4.420 nan 0.000 0.241 546 P C 0.623 177.977 177.300 0.091 0.000 0.841 546 P CA 1.492 64.638 63.100 0.075 0.000 1.115 546 P CB 0.240 31.980 31.700 0.066 0.000 0.725 547 E N -2.132 118.116 120.200 0.080 0.000 2.876 547 E HA 0.219 4.568 4.350 -0.002 0.000 0.208 547 E C -0.215 176.413 176.600 0.046 0.000 0.981 547 E CA -0.160 56.290 56.400 0.083 0.000 1.174 547 E CB 0.589 30.324 29.700 0.059 0.000 1.047 547 E HN 0.059 nan 8.360 nan 0.000 0.477 548 S N -0.700 115.018 115.700 0.030 0.000 2.578 548 S HA 0.506 4.975 4.470 -0.002 0.000 0.283 548 S C 1.232 175.736 174.600 -0.160 0.000 1.195 548 S CA 0.614 58.785 58.200 -0.048 0.000 1.050 548 S CB 1.147 64.323 63.200 -0.040 0.000 1.012 548 S HN 0.440 nan 8.310 nan 0.000 0.511 549 G N 2.517 111.142 108.800 -0.293 0.000 2.328 549 G HA2 -0.003 3.956 3.960 -0.002 0.000 0.256 549 G HA3 -0.003 3.956 3.960 -0.002 0.000 0.256 549 G C 1.324 175.946 174.900 -0.463 0.000 1.014 549 G CA 0.529 45.347 45.100 -0.470 0.000 0.620 549 G HN 2.201 nan 8.290 nan 0.000 0.530 550 G N -1.700 106.943 108.800 -0.262 0.000 2.306 550 G HA2 0.343 4.302 3.960 -0.002 0.000 0.262 550 G HA3 0.343 4.302 3.960 -0.002 0.000 0.262 550 G C 0.024 174.911 174.900 -0.022 0.000 1.263 550 G CA 0.585 45.516 45.100 -0.282 0.000 1.088 550 G HN 0.814 nan 8.290 nan 0.000 0.489 551 K N -0.405 119.965 120.400 -0.050 0.000 2.481 551 K HA 0.284 4.603 4.320 -0.002 0.000 0.210 551 K C 0.157 176.897 176.600 0.233 0.000 1.161 551 K CA 0.686 57.127 56.287 0.257 0.000 1.023 551 K CB 1.263 33.832 32.500 0.114 0.000 0.971 551 K HN 0.509 nan 8.250 nan 0.000 0.577 552 T N 1.341 115.806 114.554 -0.149 0.000 2.833 552 T HA 0.366 4.714 4.350 -0.002 0.000 0.297 552 T C -0.534 173.969 174.700 -0.328 0.000 1.015 552 T CA -0.570 61.424 62.100 -0.177 0.000 0.963 552 T CB 1.228 69.913 68.868 -0.305 0.000 0.955 552 T HN 0.040 nan 8.240 nan 0.000 0.449 553 W N 2.558 123.767 121.300 -0.151 0.000 2.576 553 W HA 0.736 5.395 4.660 -0.002 0.000 0.360 553 W C -0.725 175.766 176.519 -0.047 0.000 1.109 553 W CA -0.942 56.345 57.345 -0.097 0.000 1.237 553 W CB 1.871 31.323 29.460 -0.013 0.000 1.369 553 W HN 0.345 nan 8.180 nan 0.000 0.609 554 L N 2.061 123.415 121.223 0.218 0.000 2.436 554 L HA 0.272 4.611 4.340 -0.002 0.000 0.268 554 L C -0.709 176.316 176.870 0.258 0.000 0.974 554 L CA -0.232 54.733 54.840 0.207 0.000 0.826 554 L CB 1.518 43.701 42.059 0.207 0.000 1.291 554 L HN 0.190 nan 8.230 nan 0.000 0.406 555 D N 3.420 123.940 120.400 0.200 0.000 2.374 555 D HA 0.122 4.760 4.640 -0.002 0.000 0.240 555 D C 0.868 177.262 176.300 0.156 0.000 1.229 555 D CA -0.040 54.066 54.000 0.176 0.000 0.895 555 D CB 0.808 41.691 40.800 0.139 0.000 1.046 555 D HN 0.729 nan 8.370 nan 0.000 0.498 556 C N 3.442 122.836 119.300 0.156 0.000 2.413 556 C HA -0.068 4.391 4.460 -0.002 0.000 0.292 556 C C 2.439 177.477 174.990 0.079 0.000 1.435 556 C CA 0.183 59.262 59.018 0.100 0.000 1.791 556 C CB -0.975 26.792 27.740 0.046 0.000 1.784 556 C HN 0.678 nan 8.230 nan 0.000 0.548 557 L N 0.238 121.520 121.223 0.098 0.000 2.477 557 L HA 0.038 4.377 4.340 -0.002 0.000 0.220 557 L C 2.258 179.187 176.870 0.099 0.000 1.106 557 L CA 1.559 56.462 54.840 0.104 0.000 0.851 557 L CB -0.212 41.925 42.059 0.131 0.000 0.994 557 L HN 0.516 nan 8.230 nan 0.000 0.462 558 T N -6.139 108.472 114.554 0.096 0.000 3.130 558 T HA 0.230 4.579 4.350 -0.002 0.000 0.288 558 T C 1.293 176.043 174.700 0.083 0.000 0.936 558 T CA 0.451 62.601 62.100 0.084 0.000 0.897 558 T CB 0.924 69.839 68.868 0.079 0.000 1.178 558 T HN 0.228 nan 8.240 nan 0.000 0.543 559 G N 1.856 110.713 108.800 0.095 0.000 2.166 559 G HA2 -0.298 3.660 3.960 -0.002 0.000 0.260 559 G HA3 -0.298 3.660 3.960 -0.002 0.000 0.260 559 G C -0.161 174.797 174.900 0.097 0.000 0.986 559 G CA 0.482 45.640 45.100 0.096 0.000 0.683 559 G HN 0.917 nan 8.290 nan 0.000 0.527 560 E N 0.600 120.861 120.200 0.101 0.000 2.316 560 E HA 0.370 4.718 4.350 -0.002 0.000 0.275 560 E C 0.235 176.906 176.600 0.119 0.000 1.029 560 E CA -0.363 56.099 56.400 0.102 0.000 0.871 560 E CB 0.378 30.135 29.700 0.095 0.000 1.022 560 E HN 0.483 nan 8.360 nan 0.000 0.418 561 E N 3.058 123.330 120.200 0.121 0.000 2.277 561 E HA 0.330 4.679 4.350 -0.002 0.000 0.274 561 E C -1.163 175.539 176.600 0.171 0.000 1.022 561 E CA -0.813 55.658 56.400 0.118 0.000 0.853 561 E CB 1.428 31.199 29.700 0.119 0.000 1.086 561 E HN 0.352 nan 8.360 nan 0.000 0.397 562 V N 1.533 121.536 119.914 0.147 0.000 2.612 562 V HA 0.442 4.560 4.120 -0.002 0.000 0.301 562 V C -1.521 174.692 176.094 0.197 0.000 1.059 562 V CA -0.908 61.532 62.300 0.233 0.000 0.886 562 V CB 1.276 33.210 31.823 0.186 0.000 1.007 562 V HN 0.662 nan 8.190 nan 0.000 0.426 563 H N 3.317 122.457 119.070 0.118 0.000 2.489 563 H HA 0.728 5.282 4.556 -0.002 0.000 0.322 563 H C 0.781 176.176 175.328 0.111 0.000 1.091 563 H CA 0.218 56.339 56.048 0.123 0.000 1.291 563 H CB 1.894 31.701 29.762 0.075 0.000 1.436 563 H HN 1.091 nan 8.280 nan 0.000 0.480 564 G N 3.414 112.361 108.800 0.245 0.000 2.519 564 G HA2 0.103 4.061 3.960 -0.002 0.000 0.306 564 G HA3 0.103 4.061 3.960 -0.002 0.000 0.306 564 G C -0.210 174.763 174.900 0.123 0.000 0.965 564 G CA -0.752 44.441 45.100 0.155 0.000 1.291 564 G HN 0.315 nan 8.290 nan 0.000 0.450 565 K N 2.605 123.057 120.400 0.087 0.000 2.292 565 K HA 0.122 4.441 4.320 -0.002 0.000 0.290 565 K C 0.667 177.293 176.600 0.045 0.000 1.083 565 K CA -0.015 56.310 56.287 0.062 0.000 0.918 565 K CB 0.718 33.243 32.500 0.042 0.000 1.089 565 K HN 0.755 nan 8.250 nan 0.000 0.473 566 Q N 0.815 120.644 119.800 0.048 0.000 2.460 566 Q HA -0.203 4.136 4.340 -0.002 0.000 0.311 566 Q C 0.395 176.419 176.000 0.040 0.000 1.396 566 Q CA 0.621 56.448 55.803 0.039 0.000 0.838 566 Q CB -1.873 26.882 28.738 0.028 0.000 1.140 566 Q HN 1.069 nan 8.270 nan 0.000 0.415 567 G N 0.264 109.095 108.800 0.051 0.000 2.295 567 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.287 567 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.287 567 G C -0.230 174.689 174.900 0.032 0.000 1.055 567 G CA 0.794 45.923 45.100 0.049 0.000 0.922 567 G HN 0.422 nan 8.290 nan 0.000 0.503 568 Q N -1.238 118.573 119.800 0.018 0.000 2.320 568 Q HA 0.507 4.846 4.340 -0.002 0.000 0.272 568 Q C -0.624 175.359 176.000 -0.030 0.000 1.023 568 Q CA -0.808 54.989 55.803 -0.010 0.000 0.855 568 Q CB 2.054 30.787 28.738 -0.008 0.000 1.367 568 Q HN 0.265 nan 8.270 nan 0.000 0.406 569 L N 2.648 123.825 121.223 -0.076 0.000 2.276 569 L HA 0.428 4.766 4.340 -0.002 0.000 0.286 569 L C -0.323 176.491 176.870 -0.094 0.000 1.024 569 L CA -0.795 53.993 54.840 -0.086 0.000 0.826 569 L CB 1.195 43.169 42.059 -0.142 0.000 1.211 569 L HN 0.308 nan 8.230 nan 0.000 0.422 570 K N 4.916 125.288 120.400 -0.046 0.000 2.262 570 K HA 0.423 4.742 4.320 -0.002 0.000 0.288 570 K C -1.048 175.522 176.600 -0.050 0.000 1.090 570 K CA 0.141 56.398 56.287 -0.050 0.000 0.918 570 K CB 0.026 32.513 32.500 -0.022 0.000 1.139 570 K HN 0.458 nan 8.250 nan 0.000 0.462 571 L N 4.250 125.419 121.223 -0.089 0.000 2.313 571 L HA 0.467 4.806 4.340 -0.002 0.000 0.283 571 L C -0.242 176.585 176.870 -0.072 0.000 1.013 571 L CA -0.952 53.842 54.840 -0.077 0.000 0.816 571 L CB 1.948 43.934 42.059 -0.122 0.000 1.236 571 L HN 0.633 nan 8.230 nan 0.000 0.419 572 T N 1.075 115.604 114.554 -0.041 0.000 2.842 572 T HA 0.540 4.889 4.350 -0.002 0.000 0.308 572 T C 0.043 174.727 174.700 -0.027 0.000 1.041 572 T CA -0.755 61.323 62.100 -0.038 0.000 0.964 572 T CB 1.142 69.995 68.868 -0.025 0.000 0.972 572 T HN 0.159 nan 8.240 nan 0.000 0.460 573 L N 2.350 123.552 121.223 -0.035 0.000 2.770 573 L HA 0.705 5.044 4.340 -0.002 0.000 0.229 573 L C 0.930 177.785 176.870 -0.024 0.000 1.173 573 L CA -0.843 53.985 54.840 -0.019 0.000 0.871 573 L CB 0.450 42.499 42.059 -0.017 0.000 1.682 573 L HN 0.705 nan 8.230 nan 0.000 0.523 574 R N -1.081 119.407 120.500 -0.020 0.000 2.764 574 R HA 0.332 4.670 4.340 -0.002 0.000 0.270 574 R C -2.531 173.731 176.300 -0.063 0.000 1.014 574 R CA -1.858 54.218 56.100 -0.040 0.000 0.904 574 R CB 1.194 31.480 30.300 -0.024 0.000 1.236 574 R HN 0.260 nan 8.270 nan 0.000 0.466 575 P HA -0.180 nan 4.420 nan 0.000 0.248 575 P C -0.999 176.223 177.300 -0.130 0.000 1.127 575 P CA 1.278 64.226 63.100 -0.253 0.000 0.801 575 P CB -0.302 31.261 31.700 -0.229 0.000 0.732 576 Y N -0.952 119.344 120.300 -0.008 0.000 3.305 576 Y HA -0.303 4.246 4.550 -0.002 0.000 0.212 576 Y C 1.110 177.022 175.900 0.021 0.000 1.248 576 Y CA -0.152 57.954 58.100 0.009 0.000 1.359 576 Y CB -1.472 36.989 38.460 0.001 0.000 1.407 576 Y HN 0.468 nan 8.280 nan 0.000 0.572 577 Q N 0.630 120.513 119.800 0.139 0.000 2.199 577 Q HA 0.717 5.056 4.340 -0.002 0.000 0.232 577 Q C 0.435 176.511 176.000 0.127 0.000 0.969 577 Q CA 0.048 55.912 55.803 0.102 0.000 0.925 577 Q CB 1.902 30.673 28.738 0.055 0.000 1.198 577 Q HN 0.387 nan 8.270 nan 0.000 0.494 578 G N 0.897 109.770 108.800 0.122 0.000 2.696 578 G HA2 0.621 4.579 3.960 -0.002 0.000 0.295 578 G HA3 0.621 4.579 3.960 -0.002 0.000 0.295 578 G C -1.537 173.434 174.900 0.119 0.000 1.398 578 G CA -0.696 44.486 45.100 0.137 0.000 0.920 578 G HN 0.532 nan 8.290 nan 0.000 0.492 579 M N 2.152 121.815 119.600 0.106 0.000 2.165 579 M HA 0.337 4.816 4.480 -0.002 0.000 0.283 579 M C -0.782 175.583 176.300 0.109 0.000 0.978 579 M CA -0.620 54.744 55.300 0.107 0.000 0.948 579 M CB 2.388 35.046 32.600 0.097 0.000 1.599 579 M HN 0.207 nan 8.290 nan 0.000 0.450 580 I N 5.417 126.057 120.570 0.117 0.000 2.241 580 I HA 0.238 4.407 4.170 -0.002 0.000 0.294 580 I C -0.399 175.825 176.117 0.179 0.000 1.145 580 I CA -0.082 61.286 61.300 0.114 0.000 1.261 580 I CB -0.574 37.477 38.000 0.085 0.000 1.475 580 I HN 0.675 nan 8.210 nan 0.000 0.533 581 L N 4.967 126.323 121.223 0.222 0.000 2.315 581 L HA 0.207 4.546 4.340 -0.002 0.000 0.283 581 L C -0.335 176.822 176.870 0.479 0.000 1.089 581 L CA -0.251 54.799 54.840 0.350 0.000 0.833 581 L CB 0.520 42.794 42.059 0.358 0.000 1.170 581 L HN 0.518 nan 8.230 nan 0.000 0.442 582 W N 5.605 127.013 121.300 0.180 0.000 2.361 582 W HA 0.238 4.896 4.660 -0.002 0.000 0.309 582 W C 1.168 177.582 176.519 -0.175 0.000 1.122 582 W CA -1.141 56.229 57.345 0.042 0.000 1.208 582 W CB 0.770 30.231 29.460 0.001 0.000 1.246 582 W HN 0.600 nan 8.180 nan 0.000 0.490 583 N N 4.057 122.323 118.700 -0.723 0.000 2.575 583 N HA -0.005 4.734 4.740 -0.002 0.000 0.192 583 N C 1.234 175.963 175.510 -1.302 0.000 1.200 583 N CA 1.237 53.487 53.050 -1.334 0.000 0.897 583 N CB -0.089 37.791 38.487 -1.012 0.000 0.990 583 N HN 0.937 nan 8.380 nan 0.000 0.449 584 G N 0.506 108.090 108.800 -2.026 0.000 2.299 584 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.237 584 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.237 584 G C 0.248 174.349 174.900 -1.331 0.000 1.027 584 G CA 0.409 44.334 45.100 -1.958 0.000 0.619 584 G HN 0.752 nan 8.290 nan 0.000 0.513 585 R N 0.000 120.077 120.500 -0.705 0.000 2.786 585 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 585 R CA 0.000 56.029 56.100 -0.118 0.000 0.921 585 R CB 0.000 30.219 30.300 -0.135 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535