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 3a6o_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 GWRLDVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG 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 0.000 176.239 176.300 -0.102 0.000 1.140 1 M CA 0.000 55.263 55.300 -0.062 0.000 0.988 1 M CB 0.000 32.566 32.600 -0.056 0.000 1.302 2 L N 4.632 125.802 121.223 -0.088 0.000 2.623 2 L HA 0.174 4.513 4.340 -0.003 0.000 0.281 2 L C 0.966 177.734 176.870 -0.170 0.000 1.150 2 L CA 0.564 55.339 54.840 -0.109 0.000 0.965 2 L CB -0.037 41.985 42.059 -0.061 0.000 1.303 2 L HN 0.893 nan 8.230 nan 0.000 0.467 3 L N 1.663 122.698 121.223 -0.312 0.000 2.156 3 L HA -0.146 4.192 4.340 -0.003 0.000 0.208 3 L C 1.643 178.298 176.870 -0.360 0.000 1.095 3 L CA 0.556 55.045 54.840 -0.584 0.000 0.770 3 L CB -0.285 41.110 42.059 -1.105 0.000 0.914 3 L HN 0.538 nan 8.230 nan 0.000 0.439 4 E N 1.044 121.128 120.200 -0.194 0.000 2.393 4 E HA -0.184 4.164 4.350 -0.003 0.000 0.201 4 E C 1.670 178.277 176.600 0.011 0.000 1.025 4 E CA 1.113 57.477 56.400 -0.059 0.000 0.856 4 E CB -0.329 29.354 29.700 -0.029 0.000 0.771 4 E HN 0.484 nan 8.360 nan 0.000 0.526 5 A N 0.231 123.062 122.820 0.018 0.000 2.390 5 A HA 0.267 4.585 4.320 -0.003 0.000 0.232 5 A C 0.543 178.194 177.584 0.112 0.000 1.233 5 A CA -0.418 51.708 52.037 0.148 0.000 0.907 5 A CB 0.189 19.324 19.000 0.225 0.000 0.967 5 A HN 0.112 nan 8.150 nan 0.000 0.512 6 I N 0.460 121.041 120.570 0.018 0.000 2.395 6 I HA 0.358 4.526 4.170 -0.003 0.000 0.289 6 I C -0.605 175.538 176.117 0.043 0.000 1.023 6 I CA -0.073 61.204 61.300 -0.040 0.000 1.350 6 I CB 1.025 38.942 38.000 -0.138 0.000 1.409 6 I HN 0.281 nan 8.210 nan 0.000 0.507 7 F N 6.462 126.324 119.950 -0.146 0.000 2.591 7 F HA 0.571 5.097 4.527 -0.003 0.000 0.309 7 F C -0.789 174.995 175.800 -0.027 0.000 1.098 7 F CA -0.484 57.462 58.000 -0.091 0.000 0.937 7 F CB 1.482 40.308 39.000 -0.290 0.000 1.250 7 F HN 0.502 nan 8.300 nan 0.000 0.447 8 H N 2.196 120.435 119.070 -1.385 0.000 3.003 8 H HA 0.599 5.153 4.556 -0.003 0.000 0.327 8 H C -2.026 172.369 175.328 -1.554 0.000 1.353 8 H CA -0.449 54.802 56.048 -1.328 0.000 1.142 8 H CB 1.987 31.319 29.762 -0.717 0.000 1.864 8 H HN 0.663 nan 8.280 nan 0.000 0.529 9 E N 1.486 120.597 120.200 -1.815 0.000 2.363 9 E HA 0.570 4.918 4.350 -0.003 0.000 0.281 9 E C -1.313 174.716 176.600 -0.951 0.000 0.953 9 E CA -1.034 54.725 56.400 -1.068 0.000 0.778 9 E CB 1.719 31.175 29.700 -0.405 0.000 1.220 9 E HN 0.658 nan 8.360 nan 0.000 0.431 10 A N 3.399 125.959 122.820 -0.433 0.000 2.900 10 A HA 0.190 4.508 4.320 -0.003 0.000 0.246 10 A C 0.030 177.724 177.584 0.184 0.000 1.725 10 A CA 0.789 52.856 52.037 0.050 0.000 1.400 10 A CB -1.006 18.119 19.000 0.208 0.000 0.973 10 A HN 0.598 nan 8.150 nan 0.000 0.635 11 K N -2.631 117.855 120.400 0.142 0.000 2.842 11 K HA 0.538 4.857 4.320 -0.003 0.000 0.293 11 K C 0.545 177.302 176.600 0.262 0.000 1.068 11 K CA -0.442 55.993 56.287 0.247 0.000 0.827 11 K CB -0.368 32.215 32.500 0.139 0.000 1.524 11 K HN 1.431 nan 8.250 nan 0.000 0.368 12 G N 0.940 109.892 108.800 0.253 0.000 2.596 12 G HA2 -0.389 3.570 3.960 -0.003 0.000 0.304 12 G HA3 -0.389 3.570 3.960 -0.003 0.000 0.304 12 G C 0.522 175.613 174.900 0.317 0.000 1.189 12 G CA 1.260 46.503 45.100 0.239 0.000 0.986 12 G HN 1.723 nan 8.290 nan 0.000 0.548 13 S N -0.885 115.020 115.700 0.341 0.000 2.664 13 S HA 0.516 4.984 4.470 -0.003 0.000 0.245 13 S C 1.058 175.822 174.600 0.272 0.000 1.019 13 S CA 0.594 59.015 58.200 0.369 0.000 0.996 13 S CB 0.286 63.605 63.200 0.197 0.000 0.878 13 S HN 0.601 nan 8.310 nan 0.000 0.493 14 Y N 1.972 122.425 120.300 0.255 0.000 2.478 14 Y HA 0.621 5.169 4.550 -0.003 0.000 0.261 14 Y C 1.037 177.032 175.900 0.157 0.000 1.127 14 Y CA 0.082 58.284 58.100 0.170 0.000 1.288 14 Y CB 0.566 39.024 38.460 -0.003 0.000 1.084 14 Y HN 0.551 nan 8.280 nan 0.000 0.530 15 A N 0.033 122.982 122.820 0.215 0.000 2.500 15 A HA 0.632 4.951 4.320 -0.003 0.000 0.288 15 A C -1.883 175.726 177.584 0.042 0.000 1.045 15 A CA -0.561 51.493 52.037 0.029 0.000 0.830 15 A CB 0.126 19.270 19.000 0.240 0.000 1.337 15 A HN 0.228 nan 8.150 nan 0.000 0.400 16 Y N 0.180 120.377 120.300 -0.172 0.000 2.604 16 Y HA 0.792 5.340 4.550 -0.003 0.000 0.331 16 Y C -3.470 172.286 175.900 -0.240 0.000 1.158 16 Y CA -2.868 55.136 58.100 -0.161 0.000 1.056 16 Y CB 0.985 39.469 38.460 0.041 0.000 1.330 16 Y HN 0.360 nan 8.280 nan 0.000 0.457 17 P HA 0.336 nan 4.420 nan 0.000 0.280 17 P C 0.507 177.894 177.300 0.145 0.000 1.244 17 P CA -0.257 62.830 63.100 -0.021 0.000 0.784 17 P CB 1.318 33.037 31.700 0.031 0.000 0.913 18 I N -0.102 120.498 120.570 0.050 0.000 4.057 18 I HA 0.243 4.411 4.170 -0.003 0.000 0.334 18 I C 0.348 176.487 176.117 0.036 0.000 1.308 18 I CA -0.021 61.326 61.300 0.078 0.000 1.125 18 I CB 0.120 38.142 38.000 0.037 0.000 1.034 18 I HN 0.291 nan 8.210 nan 0.000 0.401 19 S N 0.082 115.792 115.700 0.017 0.000 2.755 19 S HA 0.325 4.793 4.470 -0.003 0.000 0.286 19 S C 0.140 174.749 174.600 0.016 0.000 1.207 19 S CA -0.492 57.721 58.200 0.021 0.000 0.892 19 S CB 0.843 64.045 63.200 0.003 0.000 1.240 19 S HN 0.253 nan 8.310 nan 0.000 0.525 20 E N 0.784 120.994 120.200 0.017 0.000 2.358 20 E HA 0.057 4.406 4.350 -0.003 0.000 0.195 20 E C 0.928 177.512 176.600 -0.028 0.000 1.010 20 E CA 1.184 57.592 56.400 0.014 0.000 0.856 20 E CB -0.244 29.475 29.700 0.032 0.000 0.795 20 E HN 0.772 nan 8.360 nan 0.000 0.504 21 T N -1.923 112.611 114.554 -0.034 0.000 3.200 21 T HA 0.194 4.542 4.350 -0.003 0.000 0.284 21 T C -0.024 174.637 174.700 -0.065 0.000 1.009 21 T CA -0.564 61.506 62.100 -0.051 0.000 0.907 21 T CB 0.162 69.011 68.868 -0.031 0.000 1.120 21 T HN -0.067 nan 8.240 nan 0.000 0.534 22 Q N 0.804 120.553 119.800 -0.084 0.000 2.315 22 Q HA 0.689 5.028 4.340 -0.003 0.000 0.273 22 Q C -2.071 173.815 176.000 -0.189 0.000 1.053 22 Q CA -1.044 54.684 55.803 -0.125 0.000 0.817 22 Q CB 2.848 31.529 28.738 -0.095 0.000 1.326 22 Q HN 0.204 nan 8.270 nan 0.000 0.423 23 L N 1.491 122.542 121.223 -0.287 0.000 2.341 23 L HA 0.517 4.855 4.340 -0.003 0.000 0.278 23 L C -0.852 175.749 176.870 -0.448 0.000 1.005 23 L CA -0.327 54.269 54.840 -0.408 0.000 0.818 23 L CB 1.504 43.254 42.059 -0.515 0.000 1.259 23 L HN 0.505 nan 8.230 nan 0.000 0.418 24 R N 2.816 122.989 120.500 -0.545 0.000 2.459 24 R HA 0.695 5.034 4.340 -0.003 0.000 0.281 24 R C -1.471 174.467 176.300 -0.604 0.000 1.050 24 R CA -0.557 55.181 56.100 -0.604 0.000 1.055 24 R CB 1.727 31.513 30.300 -0.856 0.000 1.045 24 R HN 0.497 nan 8.270 nan 0.000 0.495 25 V N 4.312 123.991 119.914 -0.392 0.000 2.655 25 V HA 0.373 4.492 4.120 -0.003 0.000 0.301 25 V C -0.771 175.308 176.094 -0.024 0.000 1.082 25 V CA -0.670 61.498 62.300 -0.220 0.000 0.899 25 V CB 2.216 33.798 31.823 -0.402 0.000 1.014 25 V HN 0.726 nan 8.190 nan 0.000 0.429 26 R N 4.501 125.078 120.500 0.129 0.000 2.803 26 R HA 0.835 5.173 4.340 -0.003 0.000 0.276 26 R C -1.371 175.173 176.300 0.407 0.000 0.978 26 R CA -0.868 55.341 56.100 0.182 0.000 0.939 26 R CB 2.894 33.158 30.300 -0.060 0.000 1.179 26 R HN 0.568 nan 8.270 nan 0.000 0.472 27 L N 1.008 122.433 121.223 0.338 0.000 2.455 27 L HA 0.500 4.839 4.340 -0.003 0.000 0.264 27 L C -1.136 175.916 176.870 0.303 0.000 0.968 27 L CA -0.761 54.199 54.840 0.200 0.000 0.827 27 L CB 2.169 44.092 42.059 -0.226 0.000 1.317 27 L HN 0.559 nan 8.230 nan 0.000 0.407 28 R N 4.056 124.678 120.500 0.204 0.000 2.294 28 R HA 0.863 5.202 4.340 -0.003 0.000 0.319 28 R C -1.316 174.958 176.300 -0.042 0.000 0.984 28 R CA -0.004 56.056 56.100 -0.067 0.000 0.861 28 R CB 1.694 31.867 30.300 -0.212 0.000 1.104 28 R HN 0.797 nan 8.270 nan 0.000 0.451 29 A N 3.690 126.544 122.820 0.057 0.000 2.530 29 A HA 0.383 4.701 4.320 -0.003 0.000 0.288 29 A C -1.254 176.519 177.584 0.316 0.000 1.172 29 A CA -0.899 51.249 52.037 0.186 0.000 0.733 29 A CB 1.243 20.360 19.000 0.194 0.000 1.320 29 A HN 0.758 nan 8.150 nan 0.000 0.419 30 K N 0.885 121.414 120.400 0.215 0.000 2.382 30 K HA 0.143 4.461 4.320 -0.003 0.000 0.275 30 K C -0.020 176.621 176.600 0.069 0.000 1.009 30 K CA -0.136 56.215 56.287 0.106 0.000 0.970 30 K CB 0.388 32.898 32.500 0.017 0.000 0.934 30 K HN 0.568 nan 8.250 nan 0.000 0.479 31 K N 2.655 123.055 120.400 0.001 0.000 2.430 31 K HA -0.052 4.267 4.320 -0.003 0.000 0.280 31 K C 0.552 177.171 176.600 0.031 0.000 1.063 31 K CA 1.293 57.590 56.287 0.017 0.000 1.071 31 K CB -0.091 32.395 32.500 -0.024 0.000 0.899 31 K HN 0.899 nan 8.250 nan 0.000 0.473 32 G N 4.051 112.893 108.800 0.070 0.000 2.784 32 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.204 32 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.204 32 G C 0.711 175.658 174.900 0.078 0.000 1.300 32 G CA 0.117 45.255 45.100 0.064 0.000 0.863 32 G HN 0.686 nan 8.290 nan 0.000 0.541 33 D N 0.725 121.164 120.400 0.066 0.000 2.220 33 D HA 0.008 4.646 4.640 -0.003 0.000 0.198 33 D C 1.239 177.574 176.300 0.057 0.000 1.001 33 D CA 1.715 55.743 54.000 0.048 0.000 0.875 33 D CB -0.048 40.772 40.800 0.033 0.000 0.921 33 D HN 0.528 nan 8.370 nan 0.000 0.454 34 V N 0.850 120.838 119.914 0.124 0.000 2.444 34 V HA 0.188 4.306 4.120 -0.003 0.000 0.294 34 V C 1.099 177.276 176.094 0.138 0.000 1.022 34 V CA -0.510 61.831 62.300 0.068 0.000 0.850 34 V CB 2.090 33.889 31.823 -0.041 0.000 0.992 34 V HN -0.025 nan 8.190 nan 0.000 0.426 35 V N 1.875 121.815 119.914 0.044 0.000 3.621 35 V HA 0.489 4.607 4.120 -0.003 0.000 0.263 35 V C 0.611 176.729 176.094 0.039 0.000 1.272 35 V CA 0.370 62.725 62.300 0.093 0.000 1.080 35 V CB 0.039 31.900 31.823 0.063 0.000 0.816 35 V HN 0.764 nan 8.190 nan 0.000 0.451 36 R N -0.606 119.843 120.500 -0.085 0.000 2.626 36 R HA 0.657 4.995 4.340 -0.003 0.000 0.274 36 R C -2.231 173.910 176.300 -0.265 0.000 1.031 36 R CA -0.020 56.008 56.100 -0.120 0.000 0.898 36 R CB 2.127 32.404 30.300 -0.039 0.000 1.222 36 R HN 0.315 nan 8.270 nan 0.000 0.455 37 C N 3.712 122.843 119.300 -0.281 0.000 2.620 37 C HA 0.531 4.989 4.460 -0.003 0.000 0.356 37 C C -1.344 173.617 174.990 -0.048 0.000 1.082 37 C CA -0.288 58.567 59.018 -0.271 0.000 1.293 37 C CB 0.902 28.221 27.740 -0.702 0.000 1.836 37 C HN 0.963 nan 8.230 nan 0.000 0.453 38 E N 3.589 123.803 120.200 0.024 0.000 2.256 38 E HA 0.668 5.016 4.350 -0.003 0.000 0.267 38 E C -1.125 175.511 176.600 0.061 0.000 0.892 38 E CA -0.774 55.650 56.400 0.040 0.000 0.775 38 E CB 2.266 31.959 29.700 -0.012 0.000 1.207 38 E HN 0.477 nan 8.360 nan 0.000 0.420 39 V N 2.752 122.675 119.914 0.014 0.000 2.398 39 V HA 0.258 4.376 4.120 -0.003 0.000 0.286 39 V C -0.857 175.273 176.094 0.060 0.000 1.026 39 V CA -0.863 61.399 62.300 -0.063 0.000 0.868 39 V CB 0.992 32.668 31.823 -0.245 0.000 0.982 39 V HN 0.469 nan 8.190 nan 0.000 0.443 40 L N 7.149 128.389 121.223 0.028 0.000 2.265 40 L HA 0.616 4.954 4.340 -0.003 0.000 0.289 40 L C -0.460 176.496 176.870 0.143 0.000 1.033 40 L CA -0.248 54.601 54.840 0.014 0.000 0.814 40 L CB 0.355 42.380 42.059 -0.056 0.000 1.203 40 L HN 0.749 nan 8.230 nan 0.000 0.423 41 Y N 1.728 122.016 120.300 -0.021 0.000 2.655 41 Y HA 0.977 5.526 4.550 -0.003 0.000 0.336 41 Y C -0.757 175.150 175.900 0.012 0.000 1.154 41 Y CA -1.323 56.782 58.100 0.008 0.000 1.055 41 Y CB 1.609 40.069 38.460 0.000 0.000 1.295 41 Y HN 0.612 nan 8.280 nan 0.000 0.465 42 A N 0.944 123.813 122.820 0.081 0.000 2.586 42 A HA 0.464 4.783 4.320 -0.003 0.000 0.290 42 A C -1.870 175.761 177.584 0.078 0.000 1.086 42 A CA -0.541 51.490 52.037 -0.009 0.000 0.665 42 A CB 1.159 20.139 19.000 -0.034 0.000 1.279 42 A HN 0.965 nan 8.150 nan 0.000 0.423 43 D N -0.359 120.075 120.400 0.057 0.000 2.400 43 D HA 0.242 4.881 4.640 -0.003 0.000 0.238 43 D C 1.049 177.389 176.300 0.068 0.000 1.157 43 D CA 0.086 54.137 54.000 0.086 0.000 0.889 43 D CB 0.649 41.504 40.800 0.091 0.000 1.199 43 D HN 0.437 nan 8.370 nan 0.000 0.436 44 R N 1.545 122.081 120.500 0.060 0.000 2.235 44 R HA -0.086 4.252 4.340 -0.003 0.000 0.213 44 R C 0.573 176.717 176.300 -0.260 0.000 1.059 44 R CA 0.856 56.892 56.100 -0.106 0.000 0.997 44 R CB -0.066 30.128 30.300 -0.177 0.000 0.884 44 R HN 0.602 nan 8.270 nan 0.000 0.462 45 Y N -0.065 120.247 120.300 0.019 0.000 2.571 45 Y HA 0.352 4.900 4.550 -0.003 0.000 0.275 45 Y C 0.676 176.577 175.900 0.002 0.000 1.179 45 Y CA -0.739 57.368 58.100 0.011 0.000 1.242 45 Y CB 0.172 38.643 38.460 0.018 0.000 1.126 45 Y HN -0.033 nan 8.280 nan 0.000 0.524 46 A N 0.499 123.375 122.820 0.094 0.000 2.531 46 A HA 0.179 4.497 4.320 -0.003 0.000 0.236 46 A C 0.849 178.449 177.584 0.027 0.000 1.062 46 A CA 0.030 52.095 52.037 0.047 0.000 0.760 46 A CB 0.071 19.079 19.000 0.014 0.000 0.995 46 A HN 0.295 nan 8.150 nan 0.000 0.501 47 S N 2.461 118.173 115.700 0.021 0.000 2.558 47 S HA 0.147 4.616 4.470 -0.003 0.000 0.291 47 S C -1.139 173.455 174.600 -0.010 0.000 1.306 47 S CA -0.573 57.631 58.200 0.007 0.000 1.056 47 S CB 0.199 63.402 63.200 0.004 0.000 0.836 47 S HN 0.508 nan 8.310 nan 0.000 0.504 48 P HA -0.097 nan 4.420 nan 0.000 0.217 48 P C -0.111 177.172 177.300 -0.028 0.000 1.148 48 P CA 1.221 64.304 63.100 -0.028 0.000 0.828 48 P CB -0.060 31.624 31.700 -0.028 0.000 0.783 49 E N -0.634 119.553 120.200 -0.020 0.000 2.830 49 E HA 0.237 4.586 4.350 -0.003 0.000 0.225 49 E C -0.294 176.295 176.600 -0.018 0.000 1.109 49 E CA -0.257 56.132 56.400 -0.020 0.000 1.392 49 E CB -0.632 29.058 29.700 -0.016 0.000 1.349 49 E HN 0.302 nan 8.360 nan 0.000 0.433 50 E N 0.737 120.924 120.200 -0.021 0.000 2.242 50 E HA 0.213 4.562 4.350 -0.003 0.000 0.275 50 E C -0.465 176.118 176.600 -0.028 0.000 1.002 50 E CA -1.091 55.296 56.400 -0.023 0.000 0.841 50 E CB 0.950 30.637 29.700 -0.021 0.000 1.109 50 E HN 0.068 nan 8.360 nan 0.000 0.394 51 E N 2.010 122.192 120.200 -0.029 0.000 2.585 51 E HA -0.048 4.300 4.350 -0.003 0.000 0.252 51 E C -0.971 175.601 176.600 -0.046 0.000 0.981 51 E CA 0.230 56.612 56.400 -0.031 0.000 0.943 51 E CB 0.111 29.787 29.700 -0.041 0.000 0.923 51 E HN 0.288 nan 8.360 nan 0.000 0.486 52 L N 3.790 124.996 121.223 -0.027 0.000 2.410 52 L HA 0.269 4.607 4.340 -0.003 0.000 0.273 52 L C 0.729 177.555 176.870 -0.073 0.000 1.152 52 L CA -0.463 54.341 54.840 -0.059 0.000 0.855 52 L CB 0.808 42.852 42.059 -0.024 0.000 1.129 52 L HN 0.625 nan 8.230 nan 0.000 0.463 53 A N 4.031 126.664 122.820 -0.311 0.000 2.448 53 A HA 0.218 4.536 4.320 -0.003 0.000 0.239 53 A C -0.241 177.266 177.584 -0.128 0.000 1.080 53 A CA 0.097 51.888 52.037 -0.409 0.000 0.779 53 A CB 0.033 18.517 19.000 -0.862 0.000 1.026 53 A HN 0.797 nan 8.150 nan 0.000 0.499 54 H N -0.585 118.419 119.070 -0.110 0.000 2.637 54 H HA 0.602 5.156 4.556 -0.003 0.000 0.363 54 H C -0.427 175.022 175.328 0.201 0.000 1.131 54 H CA -0.313 55.783 56.048 0.081 0.000 1.183 54 H CB 2.102 31.890 29.762 0.044 0.000 1.637 54 H HN 0.878 nan 8.280 nan 0.000 0.531 55 A N 3.148 126.156 122.820 0.313 0.000 2.381 55 A HA 0.327 4.645 4.320 -0.003 0.000 0.299 55 A C -1.420 176.228 177.584 0.108 0.000 1.049 55 A CA -0.626 51.519 52.037 0.181 0.000 0.715 55 A CB 1.265 20.312 19.000 0.079 0.000 1.222 55 A HN 0.460 nan 8.150 nan 0.000 0.428 56 L N 2.937 124.220 121.223 0.099 0.000 2.278 56 L HA 0.605 4.943 4.340 -0.003 0.000 0.287 56 L C 0.720 177.644 176.870 0.089 0.000 1.072 56 L CA 0.151 55.045 54.840 0.090 0.000 0.819 56 L CB 0.749 42.863 42.059 0.092 0.000 1.176 56 L HN 0.839 nan 8.230 nan 0.000 0.435 57 A N 4.456 127.341 122.820 0.108 0.000 2.491 57 A HA 0.534 4.853 4.320 -0.003 0.000 0.261 57 A C 0.642 178.374 177.584 0.248 0.000 1.101 57 A CA 0.229 52.370 52.037 0.172 0.000 0.772 57 A CB -0.510 18.630 19.000 0.233 0.000 1.043 57 A HN 0.888 nan 8.150 nan 0.000 0.501 58 G N 1.624 110.554 108.800 0.216 0.000 2.420 58 G HA2 0.431 4.390 3.960 -0.003 0.000 0.284 58 G HA3 0.431 4.390 3.960 -0.003 0.000 0.284 58 G C 0.049 175.100 174.900 0.252 0.000 1.177 58 G CA -0.720 44.520 45.100 0.233 0.000 0.841 58 G HN 0.871 nan 8.290 nan 0.000 0.527 59 K N 0.855 121.372 120.400 0.196 0.000 2.402 59 K HA 0.325 4.643 4.320 -0.003 0.000 0.285 59 K C 0.902 177.471 176.600 -0.052 0.000 1.054 59 K CA 0.163 56.364 56.287 -0.142 0.000 1.001 59 K CB 0.530 32.933 32.500 -0.163 0.000 0.946 59 K HN 0.400 nan 8.250 nan 0.000 0.473 60 A N 3.654 126.439 122.820 -0.058 0.000 2.390 60 A HA 0.344 4.663 4.320 -0.003 0.000 0.232 60 A C 0.487 178.065 177.584 -0.010 0.000 1.233 60 A CA 0.529 52.563 52.037 -0.005 0.000 0.907 60 A CB 0.412 19.414 19.000 0.002 0.000 0.967 60 A HN 0.855 nan 8.150 nan 0.000 0.512 61 G N -1.894 106.906 108.800 -0.000 0.000 2.325 61 G HA2 0.474 4.432 3.960 -0.003 0.000 0.297 61 G HA3 0.474 4.432 3.960 -0.003 0.000 0.297 61 G C -1.333 173.654 174.900 0.145 0.000 1.448 61 G CA 0.031 45.158 45.100 0.044 0.000 0.838 61 G HN 0.496 nan 8.290 nan 0.000 0.579 62 S N 0.113 115.909 115.700 0.160 0.000 2.536 62 S HA 0.692 5.160 4.470 -0.003 0.000 0.271 62 S C -0.715 174.001 174.600 0.192 0.000 1.134 62 S CA -0.627 57.694 58.200 0.202 0.000 0.897 62 S CB 2.201 65.454 63.200 0.088 0.000 1.094 62 S HN 1.042 nan 8.310 nan 0.000 0.473 63 D N 0.965 121.515 120.400 0.249 0.000 2.538 63 D HA 0.332 4.970 4.640 -0.003 0.000 0.262 63 D C 0.821 177.157 176.300 0.060 0.000 1.186 63 D CA -0.555 53.540 54.000 0.158 0.000 1.090 63 D CB -0.147 40.796 40.800 0.238 0.000 1.187 63 D HN 0.454 nan 8.370 nan 0.000 0.614 64 E N -1.151 119.058 120.200 0.016 0.000 2.153 64 E HA -0.095 4.254 4.350 -0.003 0.000 0.194 64 E C 1.737 178.271 176.600 -0.111 0.000 0.988 64 E CA 1.061 57.438 56.400 -0.039 0.000 0.811 64 E CB 0.164 29.836 29.700 -0.046 0.000 0.746 64 E HN 0.258 nan 8.360 nan 0.000 0.466 65 R N -1.841 118.535 120.500 -0.207 0.000 2.412 65 R HA 0.215 4.554 4.340 -0.003 0.000 0.212 65 R C -0.208 175.712 176.300 -0.633 0.000 0.878 65 R CA 0.016 55.810 56.100 -0.509 0.000 1.022 65 R CB 0.786 30.555 30.300 -0.886 0.000 1.265 65 R HN -0.081 nan 8.270 nan 0.000 0.620 66 F N 0.433 120.348 119.950 -0.058 0.000 2.561 66 F HA 0.386 4.912 4.527 -0.003 0.000 0.321 66 F C -0.142 175.543 175.800 -0.193 0.000 1.065 66 F CA -1.283 56.611 58.000 -0.177 0.000 0.934 66 F CB 1.659 40.429 39.000 -0.384 0.000 1.215 66 F HN -0.264 nan 8.300 nan 0.000 0.471 67 D N 0.790 121.191 120.400 0.001 0.000 2.181 67 D HA 0.268 4.906 4.640 -0.003 0.000 0.248 67 D C -1.285 174.800 176.300 -0.357 0.000 1.020 67 D CA -0.092 53.819 54.000 -0.148 0.000 0.891 67 D CB 1.655 42.349 40.800 -0.177 0.000 1.187 67 D HN 0.323 nan 8.370 nan 0.000 0.443 68 Y N 0.864 120.973 120.300 -0.318 0.000 2.350 68 Y HA 0.384 4.932 4.550 -0.003 0.000 0.338 68 Y C -0.332 175.316 175.900 -0.421 0.000 0.961 68 Y CA -0.824 57.145 58.100 -0.218 0.000 1.100 68 Y CB 1.105 39.517 38.460 -0.081 0.000 1.179 68 Y HN 0.158 nan 8.280 nan 0.000 0.454 69 F N 1.531 121.600 119.950 0.199 0.000 2.492 69 F HA 0.554 5.079 4.527 -0.003 0.000 0.327 69 F C 0.062 175.929 175.800 0.113 0.000 1.079 69 F CA -0.904 57.176 58.000 0.134 0.000 0.967 69 F CB 1.733 40.794 39.000 0.101 0.000 1.169 69 F HN 0.358 nan 8.300 nan 0.000 0.472 70 E N 1.112 121.467 120.200 0.257 0.000 2.314 70 E HA 0.818 5.167 4.350 -0.003 0.000 0.272 70 E C -1.466 175.186 176.600 0.086 0.000 0.884 70 E CA -0.909 55.567 56.400 0.128 0.000 0.753 70 E CB 2.595 32.328 29.700 0.056 0.000 1.213 70 E HN 0.739 nan 8.360 nan 0.000 0.432 71 A N 2.291 125.112 122.820 0.002 0.000 2.593 71 A HA 0.685 5.004 4.320 -0.003 0.000 0.290 71 A C -2.084 175.401 177.584 -0.165 0.000 1.126 71 A CA -0.651 51.353 52.037 -0.055 0.000 0.695 71 A CB 1.435 20.405 19.000 -0.051 0.000 1.290 71 A HN 0.378 nan 8.150 nan 0.000 0.414 72 L N 1.071 122.192 121.223 -0.172 0.000 2.343 72 L HA 0.686 5.024 4.340 -0.003 0.000 0.278 72 L C -1.655 175.042 176.870 -0.287 0.000 0.996 72 L CA -0.622 54.088 54.840 -0.217 0.000 0.831 72 L CB 1.136 43.118 42.059 -0.130 0.000 1.232 72 L HN 0.500 nan 8.230 nan 0.000 0.413 73 L N 4.993 125.953 121.223 -0.440 0.000 2.265 73 L HA 0.426 4.764 4.340 -0.003 0.000 0.288 73 L C 0.304 177.013 176.870 -0.267 0.000 1.058 73 L CA -0.143 54.334 54.840 -0.605 0.000 0.809 73 L CB 0.731 42.198 42.059 -0.986 0.000 1.179 73 L HN 0.490 nan 8.230 nan 0.000 0.429 74 E N 2.564 122.738 120.200 -0.043 0.000 2.070 74 E HA 0.150 4.499 4.350 -0.003 0.000 0.282 74 E C -0.840 175.817 176.600 0.095 0.000 1.104 74 E CA 0.028 56.450 56.400 0.036 0.000 0.876 74 E CB 0.714 30.462 29.700 0.080 0.000 1.055 74 E HN 0.460 nan 8.360 nan 0.000 0.401 75 C N 3.312 122.623 119.300 0.018 0.000 2.317 75 C HA 0.169 4.627 4.460 -0.003 0.000 0.306 75 C C 1.853 176.841 174.990 -0.002 0.000 1.087 75 C CA -0.593 58.446 59.018 0.035 0.000 1.529 75 C CB -0.474 27.259 27.740 -0.013 0.000 1.880 75 C HN 0.663 nan 8.230 nan 0.000 0.417 76 S N 1.919 117.625 115.700 0.010 0.000 2.359 76 S HA -0.208 4.260 4.470 -0.003 0.000 0.224 76 S C 2.085 176.669 174.600 -0.027 0.000 1.035 76 S CA 2.240 60.435 58.200 -0.007 0.000 1.018 76 S CB -0.549 62.651 63.200 -0.001 0.000 0.876 76 S HN 0.921 nan 8.310 nan 0.000 0.448 77 T N 0.096 114.638 114.554 -0.020 0.000 3.025 77 T HA -0.030 4.318 4.350 -0.003 0.000 0.270 77 T C 0.731 175.347 174.700 -0.139 0.000 1.126 77 T CA 1.157 63.234 62.100 -0.038 0.000 1.105 77 T CB -0.725 68.149 68.868 0.010 0.000 0.884 77 T HN 0.559 nan 8.240 nan 0.000 0.522 78 K N -0.101 120.197 120.400 -0.170 0.000 3.407 78 K HA -0.190 4.128 4.320 -0.003 0.000 0.312 78 K C -0.272 176.116 176.600 -0.353 0.000 1.302 78 K CA 1.002 57.100 56.287 -0.314 0.000 0.931 78 K CB -1.530 30.660 32.500 -0.517 0.000 1.257 78 K HN 0.569 nan 8.250 nan 0.000 0.454 79 R N 0.393 120.807 120.500 -0.142 0.000 2.628 79 R HA 0.685 5.023 4.340 -0.003 0.000 0.288 79 R C -1.097 175.254 176.300 0.084 0.000 0.980 79 R CA -0.879 55.220 56.100 -0.001 0.000 0.891 79 R CB 2.761 33.127 30.300 0.110 0.000 1.188 79 R HN 0.007 nan 8.270 nan 0.000 0.450 80 V N 2.294 122.295 119.914 0.144 0.000 3.012 80 V HA 0.568 4.687 4.120 -0.003 0.000 0.307 80 V C -1.636 174.601 176.094 0.238 0.000 1.166 80 V CA -0.748 61.665 62.300 0.189 0.000 0.974 80 V CB 2.323 34.259 31.823 0.188 0.000 1.040 80 V HN 0.856 nan 8.190 nan 0.000 0.428 81 K N 5.075 125.599 120.400 0.206 0.000 2.318 81 K HA 0.843 5.162 4.320 -0.003 0.000 0.249 81 K C -1.730 175.010 176.600 0.232 0.000 0.942 81 K CA -0.656 55.707 56.287 0.126 0.000 0.808 81 K CB 2.299 34.790 32.500 -0.015 0.000 1.189 81 K HN 0.999 nan 8.250 nan 0.000 0.428 82 Y N -2.010 118.278 120.300 -0.021 0.000 2.604 82 Y HA 0.628 5.177 4.550 -0.003 0.000 0.331 82 Y C -1.960 173.839 175.900 -0.168 0.000 1.158 82 Y CA -1.329 56.721 58.100 -0.083 0.000 1.056 82 Y CB 1.262 39.620 38.460 -0.170 0.000 1.330 82 Y HN 0.410 nan 8.280 nan 0.000 0.457 83 V N 3.126 122.971 119.914 -0.116 0.000 2.962 83 V HA 0.686 4.804 4.120 -0.003 0.000 0.313 83 V C -1.645 174.372 176.094 -0.129 0.000 1.099 83 V CA -1.209 61.005 62.300 -0.145 0.000 0.971 83 V CB 2.078 33.859 31.823 -0.070 0.000 1.028 83 V HN 0.715 nan 8.190 nan 0.000 0.430 84 F N 4.775 124.815 119.950 0.150 0.000 2.425 84 F HA 0.552 5.077 4.527 -0.003 0.000 0.331 84 F C 0.135 176.030 175.800 0.158 0.000 1.085 84 F CA -0.596 57.495 58.000 0.153 0.000 1.028 84 F CB 1.605 40.729 39.000 0.206 0.000 1.177 84 F HN 0.205 nan 8.300 nan 0.000 0.487 85 L N 5.174 126.533 121.223 0.226 0.000 2.313 85 L HA 0.446 4.784 4.340 -0.003 0.000 0.273 85 L C -1.196 175.653 176.870 -0.034 0.000 1.028 85 L CA -0.530 54.290 54.840 -0.033 0.000 0.871 85 L CB 0.462 42.457 42.059 -0.107 0.000 1.242 85 L HN 0.547 nan 8.230 nan 0.000 0.434 86 L N 4.038 125.250 121.223 -0.018 0.000 2.281 86 L HA 0.353 4.691 4.340 -0.003 0.000 0.285 86 L C 0.306 177.124 176.870 -0.088 0.000 1.074 86 L CA -0.159 54.649 54.840 -0.053 0.000 0.817 86 L CB 1.124 43.183 42.059 0.000 0.000 1.168 86 L HN 0.447 nan 8.230 nan 0.000 0.434 87 T N 2.271 116.764 114.554 -0.101 0.000 2.767 87 T HA 0.464 4.812 4.350 -0.003 0.000 0.284 87 T C 0.549 175.219 174.700 -0.050 0.000 0.973 87 T CA -0.454 61.602 62.100 -0.072 0.000 0.996 87 T CB 1.572 70.406 68.868 -0.057 0.000 0.927 87 T HN 0.764 nan 8.240 nan 0.000 0.456 88 G N 3.073 111.854 108.800 -0.032 0.000 2.547 88 G HA2 0.412 4.370 3.960 -0.003 0.000 0.291 88 G HA3 0.412 4.370 3.960 -0.003 0.000 0.291 88 G C -1.567 173.332 174.900 -0.000 0.000 1.211 88 G CA -1.499 43.592 45.100 -0.014 0.000 0.950 88 G HN 0.379 nan 8.290 nan 0.000 0.504 89 P HA -0.032 nan 4.420 nan 0.000 0.220 89 P C 0.830 178.136 177.300 0.010 0.000 1.148 89 P CA 1.040 64.149 63.100 0.016 0.000 0.803 89 P CB 0.340 32.051 31.700 0.019 0.000 0.782 90 Q N -0.777 119.025 119.800 0.003 0.000 2.341 90 Q HA 0.399 4.738 4.340 -0.003 0.000 0.325 90 Q C 0.842 176.841 176.000 -0.001 0.000 0.920 90 Q CA 0.031 55.835 55.803 0.002 0.000 1.065 90 Q CB -0.463 28.274 28.738 -0.001 0.000 1.218 90 Q HN 0.150 nan 8.270 nan 0.000 0.434 91 G N 1.392 110.190 108.800 -0.002 0.000 2.205 91 G HA2 -0.334 3.624 3.960 -0.003 0.000 0.269 91 G HA3 -0.334 3.624 3.960 -0.003 0.000 0.269 91 G C 0.128 175.019 174.900 -0.015 0.000 0.977 91 G CA 0.719 45.815 45.100 -0.007 0.000 0.652 91 G HN 0.548 nan 8.290 nan 0.000 0.539 92 E N 0.303 120.493 120.200 -0.016 0.000 2.384 92 E HA 0.519 4.867 4.350 -0.003 0.000 0.266 92 E C -0.022 176.556 176.600 -0.038 0.000 1.012 92 E CA 0.212 56.599 56.400 -0.021 0.000 0.901 92 E CB 1.365 31.055 29.700 -0.018 0.000 0.967 92 E HN 1.083 nan 8.360 nan 0.000 0.435 93 A N 3.617 126.408 122.820 -0.049 0.000 2.291 93 A HA 0.499 4.817 4.320 -0.003 0.000 0.311 93 A C -0.419 177.104 177.584 -0.101 0.000 1.224 93 A CA -0.628 51.347 52.037 -0.104 0.000 0.821 93 A CB 1.109 20.032 19.000 -0.129 0.000 1.172 93 A HN 0.698 nan 8.150 nan 0.000 0.494 94 V N 1.268 121.129 119.914 -0.088 0.000 2.823 94 V HA 0.762 4.880 4.120 -0.003 0.000 0.312 94 V C -1.379 174.708 176.094 -0.011 0.000 1.072 94 V CA -0.957 61.354 62.300 0.018 0.000 0.937 94 V CB 1.409 33.339 31.823 0.177 0.000 1.013 94 V HN 0.702 nan 8.190 nan 0.000 0.430 95 Y N 4.289 124.700 120.300 0.184 0.000 2.308 95 Y HA 0.585 5.133 4.550 -0.003 0.000 0.329 95 Y C -0.284 175.748 175.900 0.221 0.000 1.111 95 Y CA -0.285 57.917 58.100 0.170 0.000 1.179 95 Y CB 1.798 40.309 38.460 0.084 0.000 1.201 95 Y HN 0.790 nan 8.280 nan 0.000 0.483 96 F N 3.394 123.453 119.950 0.183 0.000 2.496 96 F HA 0.744 5.269 4.527 -0.003 0.000 0.341 96 F C -0.161 175.664 175.800 0.041 0.000 1.134 96 F CA -0.402 57.536 58.000 -0.104 0.000 0.968 96 F CB 0.692 39.612 39.000 -0.133 0.000 1.205 96 F HN 0.559 nan 8.300 nan 0.000 0.436 97 G N 3.718 112.226 108.800 -0.487 0.000 3.015 97 G HA2 0.171 4.129 3.960 -0.003 0.000 0.281 97 G HA3 0.171 4.129 3.960 -0.003 0.000 0.281 97 G C 0.027 174.061 174.900 -1.444 0.000 1.386 97 G CA -0.569 43.998 45.100 -0.889 0.000 0.959 97 G HN 0.691 nan 8.290 nan 0.000 0.522 98 E N -1.109 118.012 120.200 -1.799 0.000 2.169 98 E HA -0.196 4.152 4.350 -0.003 0.000 0.202 98 E C 2.184 178.461 176.600 -0.539 0.000 1.016 98 E CA 2.085 57.795 56.400 -1.149 0.000 0.817 98 E CB 0.078 29.371 29.700 -0.678 0.000 0.736 98 E HN 0.445 nan 8.360 nan 0.000 0.462 99 T N -0.821 113.485 114.554 -0.413 0.000 3.043 99 T HA 0.218 4.566 4.350 -0.003 0.000 0.263 99 T C 0.572 175.202 174.700 -0.117 0.000 1.094 99 T CA 0.607 62.585 62.100 -0.203 0.000 1.127 99 T CB 0.639 69.414 68.868 -0.156 0.000 0.905 99 T HN 0.459 nan 8.240 nan 0.000 0.490 100 G N 0.404 109.106 108.800 -0.163 0.000 2.288 100 G HA2 0.241 4.200 3.960 -0.003 0.000 0.227 100 G HA3 0.241 4.200 3.960 -0.003 0.000 0.227 100 G C -1.790 173.073 174.900 -0.061 0.000 1.339 100 G CA -1.108 43.979 45.100 -0.022 0.000 1.057 100 G HN 0.161 nan 8.290 nan 0.000 0.470 101 F N 1.155 121.218 119.950 0.187 0.000 2.480 101 F HA 0.843 5.368 4.527 -0.003 0.000 0.329 101 F C 0.700 176.583 175.800 0.137 0.000 1.091 101 F CA 0.202 58.319 58.000 0.194 0.000 0.972 101 F CB 2.392 41.464 39.000 0.121 0.000 1.150 101 F HN 0.756 nan 8.300 nan 0.000 0.467 102 S N 0.796 116.696 115.700 0.333 0.000 2.578 102 S HA 0.610 5.078 4.470 -0.003 0.000 0.272 102 S C -0.156 174.619 174.600 0.291 0.000 1.145 102 S CA -0.043 58.303 58.200 0.244 0.000 0.835 102 S CB 1.077 64.373 63.200 0.159 0.000 1.104 102 S HN 0.845 nan 8.310 nan 0.000 0.458 103 A N 1.635 124.589 122.820 0.224 0.000 2.169 103 A HA 0.344 4.663 4.320 -0.003 0.000 0.212 103 A C 0.442 178.228 177.584 0.336 0.000 1.153 103 A CA 0.420 52.605 52.037 0.247 0.000 0.756 103 A CB -0.283 18.800 19.000 0.140 0.000 0.813 103 A HN 0.753 nan 8.150 nan 0.000 0.471 104 E N -0.280 120.048 120.200 0.214 0.000 2.109 104 E HA 0.318 4.666 4.350 -0.003 0.000 0.278 104 E C 0.548 177.075 176.600 -0.123 0.000 0.954 104 E CA -0.582 55.865 56.400 0.077 0.000 0.779 104 E CB 1.370 31.082 29.700 0.020 0.000 1.093 104 E HN 0.378 nan 8.360 nan 0.000 0.401 105 R N 2.029 122.155 120.500 -0.624 0.000 2.162 105 R HA -0.301 4.037 4.340 -0.003 0.000 0.245 105 R C 2.086 178.158 176.300 -0.380 0.000 1.129 105 R CA 2.752 58.303 56.100 -0.914 0.000 0.940 105 R CB -0.289 29.427 30.300 -0.973 0.000 0.875 105 R HN 0.638 nan 8.270 nan 0.000 0.437 106 S N 0.133 115.682 115.700 -0.251 0.000 2.380 106 S HA -0.210 4.259 4.470 -0.003 0.000 0.229 106 S C 1.672 176.195 174.600 -0.129 0.000 1.043 106 S CA 1.753 59.856 58.200 -0.162 0.000 1.038 106 S CB -0.295 62.838 63.200 -0.111 0.000 0.872 106 S HN 0.457 nan 8.310 nan 0.000 0.456 107 K N 1.273 121.616 120.400 -0.095 0.000 2.365 107 K HA 0.329 4.647 4.320 -0.003 0.000 0.197 107 K C 2.325 178.892 176.600 -0.055 0.000 1.042 107 K CA 0.603 56.858 56.287 -0.054 0.000 0.987 107 K CB -0.270 32.224 32.500 -0.009 0.000 0.779 107 K HN 0.485 nan 8.250 nan 0.000 0.484 108 A N 1.554 124.329 122.820 -0.075 0.000 1.968 108 A HA 0.126 4.444 4.320 -0.003 0.000 0.217 108 A C 1.282 178.742 177.584 -0.207 0.000 1.169 108 A CA 1.392 53.378 52.037 -0.086 0.000 0.638 108 A CB -0.621 18.360 19.000 -0.033 0.000 0.812 108 A HN 0.406 nan 8.150 nan 0.000 0.446 109 G N -2.304 106.367 108.800 -0.216 0.000 2.512 109 G HA2 0.031 3.989 3.960 -0.003 0.000 0.240 109 G HA3 0.031 3.989 3.960 -0.003 0.000 0.240 109 G C -0.247 174.446 174.900 -0.346 0.000 1.246 109 G CA -0.085 44.853 45.100 -0.269 0.000 0.919 109 G HN 1.432 nan 8.290 nan 0.000 0.577 110 V N -0.054 119.589 119.914 -0.452 0.000 2.781 110 V HA 0.457 4.576 4.120 -0.003 0.000 0.289 110 V C -0.374 175.391 176.094 -0.548 0.000 1.275 110 V CA -0.818 61.222 62.300 -0.435 0.000 0.936 110 V CB 1.060 32.724 31.823 -0.266 0.000 1.074 110 V HN 0.883 nan 8.190 nan 0.000 0.444 111 F N 4.178 123.773 119.950 -0.592 0.000 2.518 111 F HA 0.378 4.903 4.527 -0.003 0.000 0.359 111 F C 0.996 176.410 175.800 -0.643 0.000 1.118 111 F CA 0.494 58.087 58.000 -0.678 0.000 1.287 111 F CB 0.692 39.079 39.000 -1.022 0.000 1.132 111 F HN 0.419 nan 8.300 nan 0.000 0.587 112 Q N 2.661 122.414 119.800 -0.078 0.000 2.356 112 Q HA 0.280 4.618 4.340 -0.003 0.000 0.270 112 Q C -1.719 174.405 176.000 0.206 0.000 1.058 112 Q CA -0.967 54.858 55.803 0.037 0.000 0.802 112 Q CB 2.679 31.408 28.738 -0.016 0.000 1.303 112 Q HN 0.611 nan 8.270 nan 0.000 0.444 113 Y N 0.905 121.344 120.300 0.231 0.000 2.491 113 Y HA 0.391 4.939 4.550 -0.003 0.000 0.334 113 Y C 0.642 176.618 175.900 0.127 0.000 0.969 113 Y CA -0.261 57.953 58.100 0.188 0.000 1.241 113 Y CB 0.860 39.435 38.460 0.191 0.000 1.105 113 Y HN 0.920 nan 8.280 nan 0.000 0.503 114 A N 5.070 127.852 122.820 -0.063 0.000 1.898 114 A HA -0.069 4.249 4.320 -0.003 0.000 0.216 114 A C -0.494 177.205 177.584 0.191 0.000 1.181 114 A CA 1.470 53.544 52.037 0.062 0.000 0.620 114 A CB -0.192 18.824 19.000 0.026 0.000 0.819 114 A HN 0.706 nan 8.150 nan 0.000 0.442 115 Y N -2.169 118.149 120.300 0.031 0.000 2.565 115 Y HA 0.511 5.059 4.550 -0.003 0.000 0.330 115 Y C -1.469 174.470 175.900 0.066 0.000 1.150 115 Y CA -1.166 56.937 58.100 0.006 0.000 1.055 115 Y CB 1.254 39.626 38.460 -0.148 0.000 1.337 115 Y HN 0.058 nan 8.280 nan 0.000 0.457 116 I N 5.366 125.874 120.570 -0.102 0.000 2.359 116 I HA 0.282 4.450 4.170 -0.003 0.000 0.284 116 I C -0.943 175.247 176.117 0.122 0.000 1.018 116 I CA -0.485 60.878 61.300 0.105 0.000 1.173 116 I CB 0.789 38.790 38.000 0.002 0.000 1.326 116 I HN 0.609 nan 8.210 nan 0.000 0.462 117 H N 4.913 124.196 119.070 0.355 0.000 2.527 117 H HA 0.230 4.784 4.556 -0.003 0.000 0.321 117 H C 1.302 176.741 175.328 0.185 0.000 1.087 117 H CA -0.546 55.679 56.048 0.296 0.000 1.337 117 H CB 1.407 31.297 29.762 0.212 0.000 1.440 117 H HN 0.514 nan 8.280 nan 0.000 0.490 118 R N 1.311 121.969 120.500 0.263 0.000 2.105 118 R HA -0.155 4.183 4.340 -0.003 0.000 0.239 118 R C 1.432 177.824 176.300 0.154 0.000 1.135 118 R CA 1.871 58.071 56.100 0.168 0.000 0.967 118 R CB -0.344 30.032 30.300 0.126 0.000 0.861 118 R HN 0.563 nan 8.270 nan 0.000 0.442 119 S N 0.107 115.899 115.700 0.155 0.000 2.547 119 S HA -0.046 4.423 4.470 -0.003 0.000 0.235 119 S C 1.018 175.678 174.600 0.099 0.000 0.980 119 S CA 0.890 59.152 58.200 0.103 0.000 0.941 119 S CB 0.068 63.307 63.200 0.065 0.000 0.763 119 S HN 0.577 nan 8.310 nan 0.000 0.532 120 E N 0.587 120.877 120.200 0.150 0.000 2.501 120 E HA 0.203 4.551 4.350 -0.003 0.000 0.201 120 E C -0.853 175.842 176.600 0.157 0.000 1.016 120 E CA -0.194 56.289 56.400 0.140 0.000 0.920 120 E CB 0.927 30.745 29.700 0.197 0.000 1.023 120 E HN 0.310 nan 8.360 nan 0.000 0.474 121 V N 2.908 122.917 119.914 0.160 0.000 2.405 121 V HA -0.005 4.113 4.120 -0.003 0.000 0.264 121 V C 0.170 176.393 176.094 0.215 0.000 1.048 121 V CA -0.311 62.093 62.300 0.174 0.000 0.966 121 V CB -0.503 31.403 31.823 0.138 0.000 1.015 121 V HN 0.165 nan 8.190 nan 0.000 0.477 122 F N 4.996 124.967 119.950 0.034 0.000 2.580 122 F HA 0.096 4.621 4.527 -0.003 0.000 0.398 122 F C 0.777 176.568 175.800 -0.015 0.000 1.023 122 F CA 0.607 58.601 58.000 -0.009 0.000 1.188 122 F CB -0.083 38.878 39.000 -0.064 0.000 1.005 122 F HN 0.489 nan 8.300 nan 0.000 0.546 123 T N 4.783 119.680 114.554 0.570 0.000 2.881 123 T HA 0.456 4.804 4.350 -0.003 0.000 0.291 123 T C -0.197 174.612 174.700 0.182 0.000 0.990 123 T CA -0.688 61.544 62.100 0.220 0.000 0.976 123 T CB 1.387 70.337 68.868 0.136 0.000 0.970 123 T HN 0.709 nan 8.240 nan 0.000 0.438 124 T N 0.997 115.548 114.554 -0.004 0.000 2.932 124 T HA 0.767 5.116 4.350 -0.003 0.000 0.289 124 T C -2.930 171.696 174.700 -0.123 0.000 1.039 124 T CA -2.483 59.573 62.100 -0.073 0.000 1.024 124 T CB 1.092 69.828 68.868 -0.219 0.000 1.090 124 T HN 0.182 nan 8.240 nan 0.000 0.496 125 P HA 0.257 nan 4.420 nan 0.000 0.268 125 P C 0.852 177.951 177.300 -0.335 0.000 1.205 125 P CA -0.241 62.706 63.100 -0.255 0.000 0.771 125 P CB 0.597 32.046 31.700 -0.419 0.000 0.858 126 E N 2.204 122.312 120.200 -0.154 0.000 2.085 126 E HA -0.161 4.187 4.350 -0.003 0.000 0.194 126 E C 1.795 178.334 176.600 -0.101 0.000 0.994 126 E CA 1.532 57.872 56.400 -0.100 0.000 0.801 126 E CB -0.425 29.275 29.700 -0.000 0.000 0.743 126 E HN 0.714 nan 8.360 nan 0.000 0.453 127 W N 0.297 121.570 121.300 -0.045 0.000 2.467 127 W HA 0.169 4.828 4.660 -0.003 0.000 0.275 127 W C 1.649 178.137 176.519 -0.052 0.000 1.239 127 W CA 0.786 58.095 57.345 -0.061 0.000 1.266 127 W CB -0.739 28.682 29.460 -0.065 0.000 1.112 127 W HN -0.031 nan 8.180 nan 0.000 0.576 128 A N 1.611 123.816 122.820 -1.025 0.000 2.172 128 A HA -0.103 4.215 4.320 -0.003 0.000 0.216 128 A C 1.988 179.345 177.584 -0.378 0.000 1.154 128 A CA 1.037 52.489 52.037 -0.975 0.000 0.701 128 A CB -0.578 17.741 19.000 -1.135 0.000 0.789 128 A HN 0.353 nan 8.150 nan 0.000 0.465 129 K N -0.026 120.214 120.400 -0.267 0.000 2.459 129 K HA -0.025 4.293 4.320 -0.003 0.000 0.193 129 K C 0.221 176.753 176.600 -0.114 0.000 1.030 129 K CA 1.112 57.293 56.287 -0.177 0.000 1.026 129 K CB 0.121 32.529 32.500 -0.153 0.000 0.809 129 K HN 0.834 nan 8.250 nan 0.000 0.504 130 E N -0.340 119.814 120.200 -0.075 0.000 3.293 130 E HA 0.259 4.607 4.350 -0.003 0.000 0.174 130 E C -0.670 175.929 176.600 -0.002 0.000 0.958 130 E CA -0.419 55.961 56.400 -0.033 0.000 1.352 130 E CB 0.675 30.353 29.700 -0.035 0.000 1.066 130 E HN 0.026 nan 8.360 nan 0.000 0.448 131 A N 0.629 123.451 122.820 0.003 0.000 2.264 131 A HA 0.658 4.977 4.320 -0.003 0.000 0.304 131 A C -0.220 177.357 177.584 -0.011 0.000 1.100 131 A CA -0.539 51.526 52.037 0.046 0.000 0.839 131 A CB 1.365 20.444 19.000 0.131 0.000 1.121 131 A HN 0.133 nan 8.150 nan 0.000 0.496 132 V N 2.896 122.809 119.914 -0.001 0.000 2.482 132 V HA 0.305 4.423 4.120 -0.003 0.000 0.295 132 V C -0.706 175.322 176.094 -0.110 0.000 1.026 132 V CA -0.460 61.802 62.300 -0.063 0.000 0.856 132 V CB 1.183 33.022 31.823 0.027 0.000 1.001 132 V HN 0.684 nan 8.190 nan 0.000 0.424 133 I N 3.913 124.319 120.570 -0.274 0.000 2.664 133 I HA 0.489 4.658 4.170 -0.003 0.000 0.308 133 I C -0.668 175.380 176.117 -0.114 0.000 0.984 133 I CA -0.856 60.265 61.300 -0.299 0.000 1.213 133 I CB 1.340 38.852 38.000 -0.812 0.000 1.379 133 I HN 0.642 nan 8.210 nan 0.000 0.501 134 Y N 3.129 123.323 120.300 -0.177 0.000 2.354 134 Y HA 0.309 4.858 4.550 -0.003 0.000 0.330 134 Y C -0.188 175.644 175.900 -0.114 0.000 1.011 134 Y CA -0.564 57.474 58.100 -0.104 0.000 1.099 134 Y CB 1.429 39.823 38.460 -0.111 0.000 1.179 134 Y HN 0.599 nan 8.280 nan 0.000 0.442 135 Q N 6.312 125.950 119.800 -0.271 0.000 2.257 135 Q HA 0.567 4.905 4.340 -0.003 0.000 0.255 135 Q C -1.556 174.302 176.000 -0.237 0.000 0.920 135 Q CA -0.578 55.130 55.803 -0.159 0.000 0.927 135 Q CB 0.985 29.794 28.738 0.117 0.000 1.229 135 Q HN 0.810 nan 8.270 nan 0.000 0.433 136 I N 4.261 124.622 120.570 -0.348 0.000 2.389 136 I HA 0.231 4.400 4.170 -0.003 0.000 0.288 136 I C -0.895 175.059 176.117 -0.272 0.000 0.999 136 I CA -0.714 60.365 61.300 -0.368 0.000 1.129 136 I CB 1.184 38.925 38.000 -0.433 0.000 1.288 136 I HN 0.616 nan 8.210 nan 0.000 0.444 137 F N 9.897 129.604 119.950 -0.406 0.000 2.405 137 F HA 0.399 4.925 4.527 -0.003 0.000 0.358 137 F C -1.749 173.922 175.800 -0.215 0.000 1.151 137 F CA -2.080 55.770 58.000 -0.250 0.000 1.161 137 F CB 0.804 39.739 39.000 -0.108 0.000 1.245 137 F HN 0.332 nan 8.300 nan 0.000 0.545 138 P HA -0.161 nan 4.420 nan 0.000 0.217 138 P C 1.394 178.646 177.300 -0.079 0.000 1.151 138 P CA 0.899 63.806 63.100 -0.322 0.000 0.828 138 P CB 0.171 31.391 31.700 -0.800 0.000 0.788 139 E N -0.052 120.203 120.200 0.092 0.000 2.339 139 E HA -0.201 4.148 4.350 -0.003 0.000 0.201 139 E C 1.136 178.051 176.600 0.525 0.000 1.015 139 E CA 0.974 57.687 56.400 0.522 0.000 0.841 139 E CB 0.014 30.067 29.700 0.589 0.000 0.754 139 E HN 0.228 nan 8.360 nan 0.000 0.508 140 R N -2.040 118.734 120.500 0.456 0.000 2.531 140 R HA 0.118 4.457 4.340 -0.003 0.000 0.316 140 R C 1.516 178.019 176.300 0.338 0.000 0.955 140 R CA -0.204 56.031 56.100 0.226 0.000 1.120 140 R CB -0.278 30.096 30.300 0.123 0.000 1.361 140 R HN 0.128 nan 8.270 nan 0.000 0.534 141 F N 1.296 121.417 119.950 0.285 0.000 2.164 141 F HA 0.361 4.886 4.527 -0.003 0.000 0.287 141 F C 0.306 176.519 175.800 0.688 0.000 1.086 141 F CA 0.518 58.721 58.000 0.339 0.000 1.249 141 F CB 0.531 39.608 39.000 0.127 0.000 1.059 141 F HN -0.074 nan 8.300 nan 0.000 0.490 142 A N 0.462 123.527 122.820 0.408 0.000 2.532 142 A HA 0.345 4.663 4.320 -0.003 0.000 0.296 142 A C -1.645 175.877 177.584 -0.103 0.000 1.058 142 A CA -0.639 51.334 52.037 -0.105 0.000 0.729 142 A CB 0.399 19.227 19.000 -0.286 0.000 1.285 142 A HN 0.165 nan 8.150 nan 0.000 0.396 143 N N 1.868 120.324 118.700 -0.406 0.000 2.918 143 N HA 0.339 5.078 4.740 -0.003 0.000 0.247 143 N C 0.963 176.362 175.510 -0.185 0.000 1.117 143 N CA 0.487 53.434 53.050 -0.173 0.000 1.005 143 N CB 0.813 39.209 38.487 -0.151 0.000 1.297 143 N HN 0.791 nan 8.380 nan 0.000 0.513 144 G N 0.743 109.472 108.800 -0.119 0.000 3.042 144 G HA2 -0.030 3.929 3.960 -0.003 0.000 0.212 144 G HA3 -0.030 3.929 3.960 -0.003 0.000 0.212 144 G C -0.068 174.790 174.900 -0.071 0.000 1.166 144 G CA -0.093 44.927 45.100 -0.133 0.000 0.767 144 G HN 0.506 nan 8.290 nan 0.000 0.546 145 D N -0.629 119.755 120.400 -0.027 0.000 2.337 145 D HA 0.230 4.868 4.640 -0.003 0.000 0.238 145 D C -2.011 174.303 176.300 0.024 0.000 1.331 145 D CA -1.614 52.386 54.000 -0.001 0.000 0.967 145 D CB 1.995 42.806 40.800 0.019 0.000 1.382 145 D HN -0.042 nan 8.370 nan 0.000 0.549 146 P HA -0.022 nan 4.420 nan 0.000 0.241 146 P C 0.949 178.270 177.300 0.035 0.000 1.191 146 P CA 0.358 63.477 63.100 0.033 0.000 0.771 146 P CB 0.128 31.839 31.700 0.017 0.000 0.929 147 S N 0.156 115.871 115.700 0.026 0.000 2.603 147 S HA -0.029 4.439 4.470 -0.003 0.000 0.220 147 S C 1.220 175.834 174.600 0.024 0.000 0.967 147 S CA 0.317 58.529 58.200 0.021 0.000 0.920 147 S CB -1.170 62.039 63.200 0.014 0.000 0.773 147 S HN 0.180 nan 8.310 nan 0.000 0.529 148 N N -0.017 118.706 118.700 0.039 0.000 2.177 148 N HA 0.178 4.917 4.740 -0.003 0.000 0.218 148 N C -1.183 174.351 175.510 0.039 0.000 1.182 148 N CA -0.435 52.639 53.050 0.040 0.000 0.882 148 N CB -0.364 38.160 38.487 0.063 0.000 1.052 148 N HN 0.072 nan 8.380 nan 0.000 0.519 149 D N 2.699 123.127 120.400 0.048 0.000 2.443 149 D HA 0.149 4.787 4.640 -0.003 0.000 0.239 149 D C -1.976 174.310 176.300 -0.023 0.000 1.136 149 D CA -0.751 53.284 54.000 0.058 0.000 0.879 149 D CB 0.596 41.447 40.800 0.086 0.000 1.195 149 D HN 0.250 nan 8.370 nan 0.000 0.443 150 P HA 0.170 nan 4.420 nan 0.000 0.272 150 P C -2.558 174.632 177.300 -0.183 0.000 1.230 150 P CA -1.132 61.806 63.100 -0.271 0.000 0.788 150 P CB -0.253 31.018 31.700 -0.714 0.000 0.949 151 P HA 0.133 nan 4.420 nan 0.000 0.277 151 P C 0.754 178.002 177.300 -0.088 0.000 1.240 151 P CA 0.421 63.464 63.100 -0.096 0.000 0.798 151 P CB 0.451 32.105 31.700 -0.077 0.000 0.979 152 G N 0.960 109.739 108.800 -0.035 0.000 2.213 152 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.236 152 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.236 152 G C 0.313 175.208 174.900 -0.009 0.000 0.991 152 G CA 0.086 45.179 45.100 -0.011 0.000 0.629 152 G HN 0.645 nan 8.290 nan 0.000 0.517 153 T N 2.555 117.110 114.554 0.002 0.000 2.609 153 T HA 0.297 4.645 4.350 -0.003 0.000 0.257 153 T C 0.794 175.479 174.700 -0.025 0.000 1.032 153 T CA 1.136 63.246 62.100 0.016 0.000 1.244 153 T CB 0.239 69.156 68.868 0.083 0.000 1.003 153 T HN 0.595 nan 8.240 nan 0.000 0.507 154 E N 2.141 122.234 120.200 -0.178 0.000 2.397 154 E HA 0.160 4.508 4.350 -0.003 0.000 0.254 154 E C 0.367 176.993 176.600 0.044 0.000 1.231 154 E CA -0.822 55.489 56.400 -0.149 0.000 0.954 154 E CB 0.381 29.886 29.700 -0.324 0.000 1.024 154 E HN 0.381 nan 8.360 nan 0.000 0.481 155 Q N 1.130 121.014 119.800 0.140 0.000 2.289 155 Q HA -0.054 4.284 4.340 -0.003 0.000 0.273 155 Q C -1.357 174.871 176.000 0.380 0.000 1.029 155 Q CA 0.170 56.113 55.803 0.233 0.000 0.896 155 Q CB 0.391 29.227 28.738 0.163 0.000 1.182 155 Q HN 0.482 nan 8.270 nan 0.000 0.385 156 W N 5.695 127.133 121.300 0.230 0.000 1.836 156 W HA 0.506 5.164 4.660 -0.002 0.000 0.449 156 W C -1.198 175.382 176.519 0.102 0.000 0.787 156 W CA -0.135 57.330 57.345 0.201 0.000 1.729 156 W CB -0.518 29.042 29.460 0.167 0.000 1.802 156 W HN 0.677 nan 8.180 nan 0.000 0.257 157 A N 3.525 126.439 122.820 0.156 0.000 2.430 157 A HA 0.317 4.635 4.320 -0.003 0.000 0.300 157 A C 1.104 178.683 177.584 -0.008 0.000 1.124 157 A CA -0.654 51.456 52.037 0.123 0.000 0.766 157 A CB 1.661 20.725 19.000 0.107 0.000 1.328 157 A HN 0.467 nan 8.150 nan 0.000 0.424 158 K N -0.136 120.264 120.400 0.001 0.000 2.103 158 K HA -0.207 4.111 4.320 -0.003 0.000 0.207 158 K C 0.221 176.778 176.600 -0.072 0.000 1.048 158 K CA 2.311 58.565 56.287 -0.055 0.000 0.930 158 K CB -0.176 32.304 32.500 -0.033 0.000 0.716 158 K HN 0.792 nan 8.250 nan 0.000 0.444 159 D N -0.117 120.261 120.400 -0.037 0.000 2.460 159 D HA 0.163 4.801 4.640 -0.003 0.000 0.229 159 D C -0.442 175.845 176.300 -0.021 0.000 1.170 159 D CA -0.308 53.674 54.000 -0.030 0.000 0.827 159 D CB 0.643 41.438 40.800 -0.008 0.000 0.973 159 D HN 0.236 nan 8.370 nan 0.000 0.496 160 A N 1.224 124.016 122.820 -0.045 0.000 2.409 160 A HA 0.405 4.723 4.320 -0.003 0.000 0.267 160 A C 0.292 177.863 177.584 -0.023 0.000 1.127 160 A CA -0.607 51.426 52.037 -0.006 0.000 0.795 160 A CB 0.360 19.334 19.000 -0.043 0.000 1.061 160 A HN 0.139 nan 8.150 nan 0.000 0.502 161 R N 3.491 124.008 120.500 0.029 0.000 2.272 161 R HA 0.322 4.660 4.340 -0.003 0.000 0.323 161 R C -2.890 173.444 176.300 0.056 0.000 1.002 161 R CA -1.748 54.360 56.100 0.014 0.000 0.900 161 R CB 0.856 31.161 30.300 0.009 0.000 1.151 161 R HN 0.478 nan 8.270 nan 0.000 0.507 162 P HA 0.081 nan 4.420 nan 0.000 0.265 162 P C -0.068 177.255 177.300 0.038 0.000 1.193 162 P CA 0.035 63.184 63.100 0.081 0.000 0.765 162 P CB 0.661 32.378 31.700 0.028 0.000 0.823 163 R N 1.436 121.955 120.500 0.032 0.000 2.549 163 R HA 0.206 4.544 4.340 -0.003 0.000 0.267 163 R C 1.358 177.693 176.300 0.058 0.000 1.045 163 R CA -0.499 55.646 56.100 0.075 0.000 1.115 163 R CB 0.104 30.439 30.300 0.059 0.000 1.121 163 R HN 0.504 nan 8.270 nan 0.000 0.543 164 H N 0.353 119.421 119.070 -0.003 0.000 2.520 164 H HA -0.164 4.390 4.556 -0.003 0.000 0.295 164 H C 0.437 175.766 175.328 0.001 0.000 1.096 164 H CA 1.961 58.035 56.048 0.043 0.000 1.249 164 H CB -0.102 29.722 29.762 0.103 0.000 1.365 164 H HN 0.586 nan 8.280 nan 0.000 0.556 165 D N -1.814 118.620 120.400 0.057 0.000 2.431 165 D HA 0.089 4.727 4.640 -0.003 0.000 0.213 165 D C 0.029 176.265 176.300 -0.108 0.000 1.130 165 D CA -0.237 53.781 54.000 0.031 0.000 0.834 165 D CB 0.091 40.971 40.800 0.133 0.000 0.985 165 D HN -0.020 nan 8.370 nan 0.000 0.504 166 S N 0.028 115.579 115.700 -0.247 0.000 2.579 166 S HA 0.395 4.863 4.470 -0.003 0.000 0.275 166 S C -0.368 174.009 174.600 -0.372 0.000 1.345 166 S CA -0.266 57.790 58.200 -0.240 0.000 1.031 166 S CB 0.386 63.463 63.200 -0.205 0.000 0.892 166 S HN 0.140 nan 8.310 nan 0.000 0.529 167 F N 0.218 120.046 119.950 -0.202 0.000 2.563 167 F HA 0.442 4.967 4.527 -0.003 0.000 0.316 167 F C 0.017 175.673 175.800 -0.241 0.000 1.076 167 F CA -0.711 57.270 58.000 -0.032 0.000 0.921 167 F CB 1.502 40.516 39.000 0.023 0.000 1.209 167 F HN 0.584 nan 8.300 nan 0.000 0.462 168 Y N -0.091 120.387 120.300 0.296 0.000 2.563 168 Y HA 0.320 4.868 4.550 -0.003 0.000 0.250 168 Y C 1.385 177.588 175.900 0.504 0.000 1.126 168 Y CA -0.002 58.258 58.100 0.266 0.000 1.231 168 Y CB 1.085 39.481 38.460 -0.107 0.000 1.288 168 Y HN 0.807 nan 8.280 nan 0.000 0.537 169 G N 0.809 109.955 108.800 0.577 0.000 2.147 169 G HA2 -0.254 3.705 3.960 -0.003 0.000 0.244 169 G HA3 -0.254 3.705 3.960 -0.003 0.000 0.244 169 G C 0.718 175.937 174.900 0.533 0.000 1.005 169 G CA -0.032 45.361 45.100 0.488 0.000 0.713 169 G HN 0.698 nan 8.290 nan 0.000 0.515 170 G N 0.019 109.244 108.800 0.708 0.000 2.414 170 G HA2 0.540 4.498 3.960 -0.003 0.000 0.236 170 G HA3 0.540 4.498 3.960 -0.003 0.000 0.236 170 G C 0.093 175.231 174.900 0.396 0.000 1.293 170 G CA 0.856 46.297 45.100 0.569 0.000 0.869 170 G HN 1.155 nan 8.290 nan 0.000 0.556 171 D N -0.158 120.367 120.400 0.209 0.000 2.677 171 D HA 0.225 4.864 4.640 -0.003 0.000 0.298 171 D C 1.229 177.511 176.300 -0.029 0.000 1.250 171 D CA -0.974 53.111 54.000 0.142 0.000 0.888 171 D CB 0.539 41.468 40.800 0.215 0.000 1.397 171 D HN 0.189 nan 8.370 nan 0.000 0.461 172 L N -0.940 120.245 121.223 -0.062 0.000 2.083 172 L HA -0.098 4.240 4.340 -0.003 0.000 0.209 172 L C 2.237 179.096 176.870 -0.019 0.000 1.083 172 L CA 1.288 56.078 54.840 -0.083 0.000 0.752 172 L CB -0.506 41.528 42.059 -0.042 0.000 0.899 172 L HN 0.453 nan 8.230 nan 0.000 0.433 173 K N 0.751 121.154 120.400 0.005 0.000 2.217 173 K HA -0.059 4.260 4.320 -0.003 0.000 0.202 173 K C 1.941 178.524 176.600 -0.029 0.000 1.051 173 K CA 1.121 57.401 56.287 -0.011 0.000 0.952 173 K CB -0.364 32.132 32.500 -0.007 0.000 0.736 173 K HN 0.194 nan 8.250 nan 0.000 0.453 174 G N 0.152 108.947 108.800 -0.008 0.000 2.459 174 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.217 174 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.217 174 G C 1.477 176.411 174.900 0.058 0.000 1.183 174 G CA 1.099 46.182 45.100 -0.028 0.000 0.776 174 G HN 0.182 nan 8.290 nan 0.000 0.552 175 V N 1.488 121.512 119.914 0.183 0.000 2.261 175 V HA -0.184 3.935 4.120 -0.003 0.000 0.246 175 V C 2.838 179.016 176.094 0.141 0.000 1.047 175 V CA 1.716 64.189 62.300 0.288 0.000 1.015 175 V CB -0.495 31.453 31.823 0.208 0.000 0.642 175 V HN 0.414 nan 8.190 nan 0.000 0.446 176 I N 0.330 120.923 120.570 0.038 0.000 2.151 176 I HA -0.294 3.874 4.170 -0.003 0.000 0.243 176 I C 2.271 178.373 176.117 -0.025 0.000 1.080 176 I CA 1.886 63.182 61.300 -0.007 0.000 1.339 176 I CB -0.681 37.297 38.000 -0.036 0.000 1.039 176 I HN 0.344 nan 8.210 nan 0.000 0.409 177 D N 0.613 120.974 120.400 -0.064 0.000 2.178 177 D HA -0.112 4.526 4.640 -0.003 0.000 0.202 177 D C 2.171 178.369 176.300 -0.170 0.000 0.974 177 D CA 0.911 54.831 54.000 -0.133 0.000 0.841 177 D CB -0.231 40.447 40.800 -0.204 0.000 0.953 177 D HN 0.229 nan 8.370 nan 0.000 0.478 178 R N 0.447 120.863 120.500 -0.141 0.000 2.299 178 R HA 0.141 4.480 4.340 -0.003 0.000 0.197 178 R C 2.322 178.694 176.300 0.120 0.000 0.971 178 R CA -0.144 55.899 56.100 -0.094 0.000 1.030 178 R CB -0.656 29.590 30.300 -0.090 0.000 0.932 178 R HN 0.310 nan 8.270 nan 0.000 0.477 179 L N 1.102 122.376 121.223 0.084 0.000 2.034 179 L HA -0.229 4.109 4.340 -0.003 0.000 0.217 179 L C -0.591 176.320 176.870 0.069 0.000 1.077 179 L CA 2.029 56.910 54.840 0.068 0.000 0.769 179 L CB -1.748 40.321 42.059 0.016 0.000 0.890 179 L HN 0.114 nan 8.230 nan 0.000 0.435 180 P HA -0.240 nan 4.420 nan 0.000 0.216 180 P C 1.342 178.725 177.300 0.139 0.000 1.150 180 P CA 1.417 64.554 63.100 0.062 0.000 0.843 180 P CB -0.089 31.630 31.700 0.032 0.000 0.787 181 Y N 0.629 120.964 120.300 0.058 0.000 2.089 181 Y HA -0.214 4.335 4.550 -0.003 0.000 0.282 181 Y C 2.100 178.111 175.900 0.186 0.000 1.139 181 Y CA 1.532 59.732 58.100 0.167 0.000 1.123 181 Y CB -1.201 37.398 38.460 0.233 0.000 0.980 181 Y HN -0.245 nan 8.280 nan 0.000 0.493 182 L N 0.467 121.768 121.223 0.131 0.000 2.021 182 L HA -0.313 4.026 4.340 -0.003 0.000 0.215 182 L C 2.636 179.430 176.870 -0.127 0.000 1.074 182 L CA 2.232 57.003 54.840 -0.115 0.000 0.760 182 L CB -0.739 41.263 42.059 -0.096 0.000 0.889 182 L HN 0.386 nan 8.230 nan 0.000 0.433 183 E N -0.115 120.056 120.200 -0.048 0.000 2.150 183 E HA -0.248 4.100 4.350 -0.003 0.000 0.193 183 E C 2.129 178.696 176.600 -0.056 0.000 0.985 183 E CA 0.886 57.256 56.400 -0.049 0.000 0.814 183 E CB 0.068 29.753 29.700 -0.024 0.000 0.752 183 E HN 0.461 nan 8.360 nan 0.000 0.466 184 E N 0.289 120.466 120.200 -0.039 0.000 2.106 184 E HA -0.178 4.170 4.350 -0.003 0.000 0.192 184 E C 2.156 178.665 176.600 -0.151 0.000 0.984 184 E CA 0.577 56.955 56.400 -0.036 0.000 0.806 184 E CB 0.018 29.761 29.700 0.071 0.000 0.750 184 E HN 0.239 nan 8.360 nan 0.000 0.458 185 L N -0.184 120.902 121.223 -0.228 0.000 2.275 185 L HA 0.012 4.350 4.340 -0.003 0.000 0.215 185 L C 1.390 178.124 176.870 -0.227 0.000 1.119 185 L CA 2.094 56.710 54.840 -0.374 0.000 0.790 185 L CB -0.023 41.817 42.059 -0.365 0.000 0.919 185 L HN 0.313 nan 8.230 nan 0.000 0.443 186 G N -1.175 107.546 108.800 -0.132 0.000 2.159 186 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.227 186 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.227 186 G C 0.313 175.229 174.900 0.026 0.000 0.986 186 G CA 0.237 45.311 45.100 -0.044 0.000 0.651 186 G HN 0.871 nan 8.290 nan 0.000 0.523 187 V N -0.212 119.679 119.914 -0.039 0.000 2.715 187 V HA 0.750 4.868 4.120 -0.003 0.000 0.299 187 V C 1.308 177.389 176.094 -0.021 0.000 1.054 187 V CA 1.326 63.618 62.300 -0.013 0.000 1.077 187 V CB 1.306 33.095 31.823 -0.056 0.000 0.972 187 V HN 1.063 nan 8.190 nan 0.000 0.484 188 T N 0.792 115.340 114.554 -0.009 0.000 2.990 188 T HA 0.646 4.994 4.350 -0.003 0.000 0.250 188 T C 0.517 175.178 174.700 -0.064 0.000 1.041 188 T CA 0.448 62.519 62.100 -0.049 0.000 1.010 188 T CB 0.208 69.043 68.868 -0.055 0.000 1.003 188 T HN 1.759 nan 8.240 nan 0.000 0.499 189 A N 0.877 123.672 122.820 -0.041 0.000 2.572 189 A HA 0.721 5.040 4.320 -0.003 0.000 0.295 189 A C -1.853 175.682 177.584 -0.081 0.000 1.072 189 A CA -0.800 51.201 52.037 -0.060 0.000 0.691 189 A CB 1.285 20.313 19.000 0.047 0.000 1.291 189 A HN 0.211 nan 8.150 nan 0.000 0.404 190 L N 1.649 122.783 121.223 -0.147 0.000 2.313 190 L HA 0.415 4.753 4.340 -0.003 0.000 0.283 190 L C -0.802 175.896 176.870 -0.288 0.000 1.013 190 L CA -0.436 54.223 54.840 -0.302 0.000 0.816 190 L CB 1.101 42.794 42.059 -0.611 0.000 1.236 190 L HN 0.686 nan 8.230 nan 0.000 0.419 191 Y N 4.783 124.874 120.300 -0.348 0.000 2.504 191 Y HA 0.500 5.048 4.550 -0.003 0.000 0.339 191 Y C -1.000 174.706 175.900 -0.325 0.000 0.974 191 Y CA -1.684 56.300 58.100 -0.194 0.000 1.232 191 Y CB 0.177 38.682 38.460 0.076 0.000 1.108 191 Y HN 0.336 nan 8.280 nan 0.000 0.509 192 F N 4.327 124.225 119.950 -0.085 0.000 2.427 192 F HA 0.282 4.807 4.527 -0.003 0.000 0.352 192 F C 1.371 176.866 175.800 -0.509 0.000 1.100 192 F CA -0.394 57.383 58.000 -0.372 0.000 1.191 192 F CB 0.595 39.440 39.000 -0.259 0.000 1.128 192 F HN 0.559 nan 8.300 nan 0.000 0.533 193 T N 1.086 115.351 114.554 -0.482 0.000 2.652 193 T HA 0.228 4.577 4.350 -0.003 0.000 0.345 193 T C -2.547 171.924 174.700 -0.381 0.000 1.051 193 T CA -1.492 60.380 62.100 -0.380 0.000 1.021 193 T CB -0.188 68.430 68.868 -0.416 0.000 1.141 193 T HN 0.230 nan 8.240 nan 0.000 0.518 194 P HA 0.255 nan 4.420 nan 0.000 0.271 194 P C 0.463 177.517 177.300 -0.409 0.000 1.220 194 P CA -0.276 62.474 63.100 -0.583 0.000 0.768 194 P CB 0.001 31.282 31.700 -0.698 0.000 0.848 195 I N -1.336 118.923 120.570 -0.518 0.000 3.928 195 I HA 0.293 4.462 4.170 -0.003 0.000 0.335 195 I C -0.014 176.084 176.117 -0.032 0.000 1.325 195 I CA -0.248 60.940 61.300 -0.188 0.000 1.107 195 I CB -0.359 37.408 38.000 -0.388 0.000 1.014 195 I HN 0.006 nan 8.210 nan 0.000 0.400 196 F N 2.471 122.332 119.950 -0.149 0.000 2.375 196 F HA 0.616 5.141 4.527 -0.003 0.000 0.333 196 F C 1.349 177.093 175.800 -0.093 0.000 1.104 196 F CA -1.294 56.640 58.000 -0.110 0.000 1.149 196 F CB 0.923 39.860 39.000 -0.106 0.000 1.190 196 F HN -0.014 nan 8.300 nan 0.000 0.533 197 A N 2.664 125.582 122.820 0.163 0.000 2.581 197 A HA 0.221 4.539 4.320 -0.003 0.000 0.257 197 A C 0.229 177.820 177.584 0.011 0.000 1.022 197 A CA 0.727 52.797 52.037 0.055 0.000 0.812 197 A CB -0.412 18.641 19.000 0.089 0.000 0.918 197 A HN 0.666 nan 8.150 nan 0.000 0.516 198 S N 3.496 119.168 115.700 -0.046 0.000 2.535 198 S HA 0.659 5.128 4.470 -0.003 0.000 0.272 198 S C -2.140 172.440 174.600 -0.033 0.000 1.149 198 S CA -0.571 57.606 58.200 -0.038 0.000 0.888 198 S CB 1.632 64.786 63.200 -0.078 0.000 1.110 198 S HN 0.377 nan 8.310 nan 0.000 0.463 199 P HA -0.040 nan 4.420 nan 0.000 0.219 199 P C 0.601 177.975 177.300 0.124 0.000 1.146 199 P CA 0.889 64.020 63.100 0.053 0.000 0.808 199 P CB -0.307 31.438 31.700 0.075 0.000 0.779 200 S N -0.089 115.612 115.700 0.000 0.000 2.686 200 S HA 0.134 4.602 4.470 -0.003 0.000 0.270 200 S C 1.491 176.024 174.600 -0.111 0.000 1.194 200 S CA -0.531 57.615 58.200 -0.090 0.000 0.990 200 S CB -0.149 62.658 63.200 -0.655 0.000 1.029 200 S HN 0.309 nan 8.310 nan 0.000 0.560 201 H N 0.423 119.272 119.070 -0.368 0.000 2.512 201 H HA 0.004 4.558 4.556 -0.003 0.000 0.279 201 H C 1.469 176.770 175.328 -0.044 0.000 0.999 201 H CA 1.483 57.296 56.048 -0.393 0.000 1.283 201 H CB -0.525 28.841 29.762 -0.661 0.000 1.421 201 H HN 0.955 nan 8.280 nan 0.000 0.554 202 H N 0.788 119.551 119.070 -0.512 0.000 2.604 202 H HA 0.216 4.770 4.556 -0.003 0.000 0.273 202 H C 0.158 175.380 175.328 -0.176 0.000 0.971 202 H CA 0.153 56.052 56.048 -0.249 0.000 1.249 202 H CB 0.295 30.016 29.762 -0.069 0.000 1.449 202 H HN 0.067 nan 8.280 nan 0.000 0.512 203 K N 0.009 120.099 120.400 -0.517 0.000 3.129 203 K HA -0.228 4.090 4.320 -0.003 0.000 0.273 203 K C -0.505 175.997 176.600 -0.164 0.000 1.123 203 K CA 0.751 56.863 56.287 -0.292 0.000 0.800 203 K CB -2.171 30.179 32.500 -0.250 0.000 1.238 203 K HN 0.391 nan 8.250 nan 0.000 0.492 204 Y N 1.212 121.634 120.300 0.204 0.000 2.511 204 Y HA -0.022 4.526 4.550 -0.003 0.000 0.279 204 Y C 1.054 177.062 175.900 0.180 0.000 1.157 204 Y CA 0.476 58.702 58.100 0.210 0.000 1.300 204 Y CB 0.381 38.977 38.460 0.228 0.000 1.052 204 Y HN 0.188 nan 8.280 nan 0.000 0.529 205 D N 0.063 120.606 120.400 0.238 0.000 2.563 205 D HA 0.051 4.689 4.640 -0.003 0.000 0.222 205 D C -0.227 176.108 176.300 0.059 0.000 1.145 205 D CA -0.182 53.919 54.000 0.168 0.000 1.001 205 D CB -0.161 40.740 40.800 0.168 0.000 1.049 205 D HN -0.072 nan 8.370 nan 0.000 0.515 206 T N 0.693 115.234 114.554 -0.022 0.000 2.902 206 T HA 0.338 4.686 4.350 -0.003 0.000 0.301 206 T C 1.203 175.866 174.700 -0.062 0.000 1.012 206 T CA -0.041 61.926 62.100 -0.222 0.000 1.151 206 T CB 1.566 69.958 68.868 -0.794 0.000 0.946 206 T HN 0.504 nan 8.240 nan 0.000 0.542 207 A N 2.451 125.289 122.820 0.030 0.000 2.070 207 A HA 0.349 4.668 4.320 -0.003 0.000 0.202 207 A C 0.622 178.381 177.584 0.291 0.000 1.277 207 A CA -0.001 52.157 52.037 0.201 0.000 0.872 207 A CB 0.430 19.518 19.000 0.147 0.000 0.933 207 A HN 0.692 nan 8.150 nan 0.000 0.475 208 D N -1.943 118.560 120.400 0.172 0.000 2.616 208 D HA 0.419 5.058 4.640 -0.003 0.000 0.238 208 D C -0.206 176.213 176.300 0.198 0.000 1.354 208 D CA -0.547 53.612 54.000 0.265 0.000 0.970 208 D CB 0.460 41.397 40.800 0.229 0.000 1.369 208 D HN 0.132 nan 8.370 nan 0.000 0.585 209 Y N 2.050 122.554 120.300 0.340 0.000 2.293 209 Y HA 0.011 4.559 4.550 -0.003 0.000 0.291 209 Y C 1.838 177.765 175.900 0.045 0.000 1.137 209 Y CA 0.926 59.173 58.100 0.246 0.000 1.202 209 Y CB 0.128 38.799 38.460 0.352 0.000 0.990 209 Y HN 0.427 nan 8.280 nan 0.000 0.537 210 L N -0.705 120.657 121.223 0.231 0.000 2.611 210 L HA 0.286 4.624 4.340 -0.003 0.000 0.229 210 L C 0.493 177.437 176.870 0.124 0.000 1.137 210 L CA -0.308 54.552 54.840 0.033 0.000 0.901 210 L CB -0.156 41.732 42.059 -0.285 0.000 1.098 210 L HN 0.025 nan 8.230 nan 0.000 0.456 211 A N 0.314 123.265 122.820 0.218 0.000 2.356 211 A HA 0.568 4.886 4.320 -0.003 0.000 0.310 211 A C -0.170 177.611 177.584 0.329 0.000 1.075 211 A CA -0.584 51.604 52.037 0.252 0.000 0.746 211 A CB 1.224 20.314 19.000 0.151 0.000 1.221 211 A HN -0.062 nan 8.150 nan 0.000 0.443 212 I N 2.288 123.085 120.570 0.378 0.000 2.710 212 I HA -0.039 4.130 4.170 -0.003 0.000 0.286 212 I C 0.737 176.980 176.117 0.211 0.000 1.181 212 I CA 0.346 61.829 61.300 0.305 0.000 1.430 212 I CB 0.257 38.425 38.000 0.280 0.000 1.367 212 I HN 0.713 nan 8.210 nan 0.000 0.577 213 D N 9.618 130.117 120.400 0.166 0.000 2.520 213 D HA -0.029 4.609 4.640 -0.003 0.000 0.243 213 D C -1.386 174.925 176.300 0.018 0.000 1.160 213 D CA -1.027 52.974 54.000 0.002 0.000 0.877 213 D CB 1.444 42.077 40.800 -0.279 0.000 1.150 213 D HN 0.272 nan 8.370 nan 0.000 0.494 214 P HA -0.255 nan 4.420 nan 0.000 0.217 214 P C 1.230 178.534 177.300 0.006 0.000 1.158 214 P CA 1.686 64.799 63.100 0.022 0.000 0.887 214 P CB -0.125 31.578 31.700 0.004 0.000 0.792 215 Q N -2.126 117.621 119.800 -0.089 0.000 2.541 215 Q HA -0.077 4.262 4.340 -0.003 0.000 0.215 215 Q C 1.178 177.246 176.000 0.114 0.000 0.977 215 Q CA 0.843 56.616 55.803 -0.050 0.000 0.934 215 Q CB -0.472 28.191 28.738 -0.126 0.000 0.988 215 Q HN 0.128 nan 8.270 nan 0.000 0.521 216 F N -0.077 119.905 119.950 0.053 0.000 2.559 216 F HA 0.446 4.971 4.527 -0.003 0.000 0.286 216 F C 1.468 177.294 175.800 0.045 0.000 1.108 216 F CA 0.494 58.519 58.000 0.041 0.000 1.436 216 F CB 0.810 39.807 39.000 -0.004 0.000 1.130 216 F HN 0.295 nan 8.300 nan 0.000 0.584 217 G N -0.347 108.603 108.800 0.250 0.000 2.480 217 G HA2 0.209 4.167 3.960 -0.003 0.000 0.109 217 G HA3 0.209 4.167 3.960 -0.003 0.000 0.109 217 G C -1.726 173.273 174.900 0.164 0.000 1.172 217 G CA -0.069 45.134 45.100 0.172 0.000 1.091 217 G HN 0.158 nan 8.290 nan 0.000 0.464 218 D N -1.175 119.330 120.400 0.174 0.000 2.692 218 D HA 0.455 5.094 4.640 -0.003 0.000 0.303 218 D C 1.045 177.486 176.300 0.235 0.000 1.278 218 D CA -0.491 53.618 54.000 0.181 0.000 0.852 218 D CB 1.393 42.272 40.800 0.131 0.000 1.375 218 D HN 0.614 nan 8.370 nan 0.000 0.453 219 L N 0.881 122.249 121.223 0.241 0.000 1.944 219 L HA -0.037 4.301 4.340 -0.003 0.000 0.218 219 L C -0.979 176.032 176.870 0.235 0.000 1.075 219 L CA 2.330 57.338 54.840 0.280 0.000 0.767 219 L CB -2.027 40.166 42.059 0.224 0.000 0.890 219 L HN 0.394 nan 8.230 nan 0.000 0.434 220 P HA -0.227 nan 4.420 nan 0.000 0.222 220 P C 1.680 179.036 177.300 0.093 0.000 1.159 220 P CA 2.716 65.876 63.100 0.100 0.000 0.920 220 P CB -0.316 31.429 31.700 0.074 0.000 0.793 221 T N -1.291 113.327 114.554 0.107 0.000 2.665 221 T HA -0.223 4.126 4.350 -0.003 0.000 0.268 221 T C 1.478 176.235 174.700 0.096 0.000 1.035 221 T CA 1.477 63.629 62.100 0.087 0.000 1.151 221 T CB -1.095 67.835 68.868 0.102 0.000 0.862 221 T HN 0.050 nan 8.240 nan 0.000 0.438 222 F N 2.604 122.581 119.950 0.045 0.000 2.075 222 F HA -0.121 4.404 4.527 -0.003 0.000 0.297 222 F C 2.472 178.283 175.800 0.018 0.000 1.113 222 F CA 1.266 59.288 58.000 0.037 0.000 1.218 222 F CB -0.222 38.865 39.000 0.146 0.000 0.984 222 F HN -0.117 nan 8.300 nan 0.000 0.472 223 R N 0.279 120.808 120.500 0.050 0.000 2.119 223 R HA -0.224 4.114 4.340 -0.003 0.000 0.246 223 R C 2.387 178.582 176.300 -0.177 0.000 1.146 223 R CA 1.947 57.998 56.100 -0.082 0.000 0.962 223 R CB -0.831 29.481 30.300 0.019 0.000 0.863 223 R HN 0.372 nan 8.270 nan 0.000 0.442 224 R N 0.162 120.591 120.500 -0.119 0.000 2.062 224 R HA -0.065 4.273 4.340 -0.003 0.000 0.226 224 R C 2.318 178.514 176.300 -0.173 0.000 1.125 224 R CA 0.617 56.648 56.100 -0.114 0.000 0.966 224 R CB -0.453 29.811 30.300 -0.061 0.000 0.861 224 R HN 0.039 nan 8.270 nan 0.000 0.433 225 L N 0.978 122.076 121.223 -0.208 0.000 1.976 225 L HA -0.266 4.072 4.340 -0.003 0.000 0.223 225 L C 2.016 178.681 176.870 -0.342 0.000 1.081 225 L CA 1.881 56.570 54.840 -0.251 0.000 0.784 225 L CB -0.914 40.963 42.059 -0.304 0.000 0.896 225 L HN -0.020 nan 8.230 nan 0.000 0.438 226 V N 0.146 119.725 119.914 -0.559 0.000 2.231 226 V HA -0.389 3.729 4.120 -0.003 0.000 0.250 226 V C 2.398 178.161 176.094 -0.551 0.000 1.058 226 V CA 2.258 64.175 62.300 -0.639 0.000 1.022 226 V CB -0.966 30.437 31.823 -0.699 0.000 0.640 226 V HN 0.505 nan 8.190 nan 0.000 0.445 227 D N -0.793 119.409 120.400 -0.330 0.000 2.144 227 D HA -0.133 4.506 4.640 -0.003 0.000 0.199 227 D C 2.316 178.542 176.300 -0.122 0.000 0.984 227 D CA 0.954 54.850 54.000 -0.173 0.000 0.834 227 D CB -0.218 40.521 40.800 -0.102 0.000 0.955 227 D HN 0.382 nan 8.370 nan 0.000 0.465 228 E N 0.418 120.536 120.200 -0.137 0.000 2.107 228 E HA -0.031 4.317 4.350 -0.003 0.000 0.191 228 E C 2.023 178.576 176.600 -0.079 0.000 0.982 228 E CA 0.696 57.042 56.400 -0.089 0.000 0.809 228 E CB -0.262 29.389 29.700 -0.082 0.000 0.756 228 E HN 0.203 nan 8.360 nan 0.000 0.459 229 A N 0.464 123.211 122.820 -0.121 0.000 1.858 229 A HA -0.198 4.120 4.320 -0.003 0.000 0.216 229 A C 1.960 179.529 177.584 -0.026 0.000 1.190 229 A CA 1.685 53.667 52.037 -0.092 0.000 0.617 229 A CB -1.009 17.912 19.000 -0.132 0.000 0.827 229 A HN 0.375 nan 8.150 nan 0.000 0.443 230 H N -0.509 118.487 119.070 -0.124 0.000 2.353 230 H HA -0.176 4.378 4.556 -0.003 0.000 0.298 230 H C 2.323 177.582 175.328 -0.115 0.000 1.103 230 H CA 1.491 57.457 56.048 -0.137 0.000 1.293 230 H CB 0.036 29.717 29.762 -0.135 0.000 1.372 230 H HN 0.628 nan 8.280 nan 0.000 0.501 231 R N 0.973 121.492 120.500 0.033 0.000 2.275 231 R HA 0.016 4.354 4.340 -0.003 0.000 0.199 231 R C 1.394 177.678 176.300 -0.027 0.000 0.989 231 R CA 0.601 56.695 56.100 -0.010 0.000 1.016 231 R CB 0.161 30.452 30.300 -0.016 0.000 0.918 231 R HN 0.062 nan 8.270 nan 0.000 0.473 232 R N 0.254 120.737 120.500 -0.028 0.000 2.391 232 R HA 0.169 4.507 4.340 -0.003 0.000 0.249 232 R C 0.403 176.674 176.300 -0.048 0.000 0.957 232 R CA 0.748 56.827 56.100 -0.036 0.000 1.093 232 R CB 0.533 30.813 30.300 -0.033 0.000 1.156 232 R HN 0.568 nan 8.270 nan 0.000 0.526 233 G N 0.452 109.218 108.800 -0.057 0.000 2.143 233 G HA2 -0.283 3.676 3.960 -0.003 0.000 0.248 233 G HA3 -0.283 3.676 3.960 -0.003 0.000 0.248 233 G C 0.081 174.921 174.900 -0.099 0.000 0.991 233 G CA 0.149 45.196 45.100 -0.087 0.000 0.689 233 G HN 0.293 nan 8.290 nan 0.000 0.522 234 I N -0.047 120.482 120.570 -0.070 0.000 2.530 234 I HA 0.476 4.645 4.170 -0.003 0.000 0.297 234 I C 0.359 176.454 176.117 -0.036 0.000 1.011 234 I CA -0.920 60.333 61.300 -0.080 0.000 1.107 234 I CB 1.827 39.782 38.000 -0.075 0.000 1.285 234 I HN -0.085 nan 8.210 nan 0.000 0.436 235 K N 5.224 125.545 120.400 -0.130 0.000 2.166 235 K HA 0.628 4.946 4.320 -0.003 0.000 0.245 235 K C -1.097 175.447 176.600 -0.093 0.000 0.967 235 K CA -0.885 55.320 56.287 -0.136 0.000 0.863 235 K CB 1.984 34.177 32.500 -0.511 0.000 1.107 235 K HN 0.308 nan 8.250 nan 0.000 0.436 236 I N 3.205 123.752 120.570 -0.038 0.000 2.362 236 I HA 0.320 4.488 4.170 -0.003 0.000 0.289 236 I C -0.428 175.720 176.117 0.052 0.000 0.994 236 I CA -0.691 60.617 61.300 0.014 0.000 1.158 236 I CB 0.993 39.000 38.000 0.012 0.000 1.315 236 I HN 0.418 nan 8.210 nan 0.000 0.451 237 I N 6.856 127.480 120.570 0.090 0.000 2.406 237 I HA 0.427 4.595 4.170 -0.003 0.000 0.290 237 I C -0.021 176.187 176.117 0.153 0.000 0.999 237 I CA -0.547 60.824 61.300 0.118 0.000 1.124 237 I CB 2.043 40.207 38.000 0.273 0.000 1.289 237 I HN 0.282 nan 8.210 nan 0.000 0.441 238 L N 4.467 125.670 121.223 -0.033 0.000 2.344 238 L HA 0.412 4.750 4.340 -0.003 0.000 0.272 238 L C 0.118 177.059 176.870 0.119 0.000 1.035 238 L CA -0.695 54.125 54.840 -0.033 0.000 0.807 238 L CB 1.803 43.657 42.059 -0.341 0.000 1.237 238 L HN 0.483 nan 8.230 nan 0.000 0.442 239 D N 1.912 122.378 120.400 0.110 0.000 2.295 239 D HA 0.392 5.030 4.640 -0.003 0.000 0.248 239 D C -0.647 175.711 176.300 0.095 0.000 1.154 239 D CA -0.097 54.010 54.000 0.178 0.000 0.857 239 D CB 1.771 42.661 40.800 0.150 0.000 1.117 239 D HN 0.549 nan 8.370 nan 0.000 0.468 240 A N 3.854 126.736 122.820 0.104 0.000 2.258 240 A HA 0.430 4.748 4.320 -0.003 0.000 0.316 240 A C -0.245 177.139 177.584 -0.332 0.000 1.279 240 A CA -0.690 51.242 52.037 -0.176 0.000 0.876 240 A CB 0.939 19.514 19.000 -0.708 0.000 1.170 240 A HN 0.376 nan 8.150 nan 0.000 0.520 241 V N 4.118 123.996 119.914 -0.059 0.000 2.154 241 V HA 0.152 4.270 4.120 -0.003 0.000 0.265 241 V C -0.094 176.144 176.094 0.240 0.000 1.293 241 V CA 0.016 62.369 62.300 0.088 0.000 1.205 241 V CB -1.109 30.838 31.823 0.206 0.000 1.306 241 V HN 0.821 nan 8.190 nan 0.000 0.479 242 F N 0.771 120.687 119.950 -0.058 0.000 2.776 242 F HA 0.144 4.670 4.527 -0.003 0.000 0.300 242 F C 2.014 177.646 175.800 -0.280 0.000 1.116 242 F CA -0.157 57.724 58.000 -0.199 0.000 1.375 242 F CB -0.677 38.132 39.000 -0.320 0.000 1.109 242 F HN 0.463 nan 8.300 nan 0.000 0.585 243 N N 0.242 118.864 118.700 -0.130 0.000 2.270 243 N HA -0.120 4.618 4.740 -0.003 0.000 0.181 243 N C -0.398 175.104 175.510 -0.013 0.000 1.016 243 N CA 0.756 53.736 53.050 -0.117 0.000 0.870 243 N CB 0.073 38.537 38.487 -0.038 0.000 0.979 243 N HN 0.366 nan 8.380 nan 0.000 0.431 244 H N -2.402 116.781 119.070 0.188 0.000 3.037 244 H HA 0.694 5.248 4.556 -0.003 0.000 0.355 244 H C -1.207 174.266 175.328 0.242 0.000 1.263 244 H CA -0.871 55.304 56.048 0.213 0.000 1.129 244 H CB 1.146 31.039 29.762 0.218 0.000 1.861 244 H HN 0.064 nan 8.280 nan 0.000 0.546 245 A N 0.988 124.044 122.820 0.393 0.000 2.269 245 A HA 0.719 5.038 4.320 -0.003 0.000 0.319 245 A C 0.742 178.469 177.584 0.238 0.000 1.110 245 A CA -0.423 51.802 52.037 0.314 0.000 0.847 245 A CB 0.220 19.447 19.000 0.379 0.000 1.161 245 A HN 1.081 nan 8.150 nan 0.000 0.497 246 G N 0.009 108.919 108.800 0.184 0.000 2.442 246 G HA2 0.340 4.299 3.960 -0.003 0.000 0.249 246 G HA3 0.340 4.299 3.960 -0.003 0.000 0.249 246 G C 0.426 175.404 174.900 0.130 0.000 1.263 246 G CA 0.483 45.672 45.100 0.149 0.000 0.846 246 G HN 0.812 nan 8.290 nan 0.000 0.555 247 D N 1.041 121.466 120.400 0.042 0.000 2.351 247 D HA -0.151 4.487 4.640 -0.003 0.000 0.216 247 D C 1.670 178.145 176.300 0.293 0.000 0.968 247 D CA 0.956 55.023 54.000 0.113 0.000 0.899 247 D CB 0.037 40.948 40.800 0.186 0.000 0.907 247 D HN 0.484 nan 8.370 nan 0.000 0.514 248 Q N -1.228 118.712 119.800 0.233 0.000 2.424 248 Q HA 0.150 4.489 4.340 -0.003 0.000 0.204 248 Q C -0.123 176.062 176.000 0.308 0.000 0.933 248 Q CA -0.485 55.456 55.803 0.230 0.000 0.929 248 Q CB -0.142 28.699 28.738 0.172 0.000 1.037 248 Q HN 0.208 nan 8.270 nan 0.000 0.511 249 F N 1.724 121.785 119.950 0.186 0.000 2.439 249 F HA -0.241 4.284 4.527 -0.003 0.000 0.417 249 F C 0.911 176.810 175.800 0.165 0.000 0.957 249 F CA -0.463 57.687 58.000 0.250 0.000 1.146 249 F CB 0.005 39.197 39.000 0.321 0.000 0.911 249 F HN 0.209 nan 8.300 nan 0.000 0.531 250 F N 4.735 124.495 119.950 -0.316 0.000 2.115 250 F HA -0.212 4.314 4.527 -0.003 0.000 0.300 250 F C 1.796 177.203 175.800 -0.655 0.000 1.092 250 F CA 1.580 59.325 58.000 -0.425 0.000 1.245 250 F CB -1.184 37.582 39.000 -0.390 0.000 0.995 250 F HN 0.409 nan 8.300 nan 0.000 0.481 251 A N -0.105 121.124 122.820 -2.651 0.000 1.972 251 A HA -0.131 4.187 4.320 -0.003 0.000 0.219 251 A C 2.108 179.290 177.584 -0.670 0.000 1.169 251 A CA 1.572 52.320 52.037 -2.149 0.000 0.635 251 A CB -1.414 16.284 19.000 -2.171 0.000 0.810 251 A HN 0.612 nan 8.150 nan 0.000 0.446 252 F N -0.169 119.482 119.950 -0.497 0.000 2.317 252 F HA 0.113 4.638 4.527 -0.003 0.000 0.293 252 F C 2.291 177.861 175.800 -0.383 0.000 1.085 252 F CA 0.809 58.468 58.000 -0.567 0.000 1.390 252 F CB -0.108 38.576 39.000 -0.527 0.000 1.077 252 F HN 0.041 nan 8.300 nan 0.000 0.517 253 R N 0.071 120.448 120.500 -0.205 0.000 2.120 253 R HA -0.183 4.156 4.340 -0.003 0.000 0.234 253 R C 1.659 177.820 176.300 -0.233 0.000 1.123 253 R CA 1.751 57.740 56.100 -0.185 0.000 0.975 253 R CB -0.654 29.616 30.300 -0.050 0.000 0.866 253 R HN 0.335 nan 8.270 nan 0.000 0.446 254 D N -0.352 119.884 120.400 -0.273 0.000 2.224 254 D HA -0.088 4.550 4.640 -0.003 0.000 0.205 254 D C 1.602 177.796 176.300 -0.177 0.000 0.965 254 D CA 0.556 54.446 54.000 -0.183 0.000 0.852 254 D CB 0.385 41.097 40.800 -0.148 0.000 0.947 254 D HN -0.060 nan 8.370 nan 0.000 0.494 255 V N 0.442 120.185 119.914 -0.285 0.000 2.535 255 V HA -0.098 4.020 4.120 -0.003 0.000 0.246 255 V C 2.387 178.276 176.094 -0.342 0.000 1.045 255 V CA 0.601 62.738 62.300 -0.271 0.000 1.058 255 V CB -0.321 31.295 31.823 -0.345 0.000 0.689 255 V HN 0.361 nan 8.190 nan 0.000 0.461 256 L N -0.115 120.777 121.223 -0.551 0.000 2.263 256 L HA -0.249 4.090 4.340 -0.003 0.000 0.216 256 L C 2.268 179.027 176.870 -0.185 0.000 1.111 256 L CA 1.983 56.586 54.840 -0.395 0.000 0.773 256 L CB -0.594 41.226 42.059 -0.398 0.000 0.906 256 L HN 0.536 nan 8.230 nan 0.000 0.439 257 Q N -1.410 118.294 119.800 -0.159 0.000 2.581 257 Q HA 0.011 4.349 4.340 -0.003 0.000 0.222 257 Q C 1.802 177.749 176.000 -0.089 0.000 0.904 257 Q CA 0.171 55.914 55.803 -0.100 0.000 0.923 257 Q CB 0.384 29.071 28.738 -0.084 0.000 1.117 257 Q HN 0.276 nan 8.270 nan 0.000 0.618 258 K N 0.553 120.893 120.400 -0.100 0.000 2.426 258 K HA 0.105 4.423 4.320 -0.003 0.000 0.193 258 K C 1.047 177.554 176.600 -0.155 0.000 1.028 258 K CA 0.490 56.713 56.287 -0.107 0.000 1.047 258 K CB 0.420 32.862 32.500 -0.096 0.000 0.821 258 K HN 0.297 nan 8.250 nan 0.000 0.513 259 G N 2.595 111.319 108.800 -0.127 0.000 2.698 259 G HA2 -0.439 3.520 3.960 -0.003 0.000 0.346 259 G HA3 -0.439 3.520 3.960 -0.003 0.000 0.346 259 G C 0.821 175.417 174.900 -0.506 0.000 1.287 259 G CA 0.914 45.903 45.100 -0.186 0.000 0.990 259 G HN 0.461 nan 8.290 nan 0.000 0.545 260 E N 0.057 119.597 120.200 -1.100 0.000 2.401 260 E HA -0.106 4.242 4.350 -0.003 0.000 0.199 260 E C 2.387 178.755 176.600 -0.386 0.000 1.023 260 E CA 1.240 57.082 56.400 -0.930 0.000 0.859 260 E CB -0.027 29.088 29.700 -0.974 0.000 0.780 260 E HN 0.487 nan 8.360 nan 0.000 0.523 261 Q N -0.113 119.511 119.800 -0.293 0.000 2.403 261 Q HA 0.102 4.440 4.340 -0.003 0.000 0.203 261 Q C 0.182 176.090 176.000 -0.153 0.000 0.932 261 Q CA -0.028 55.664 55.803 -0.185 0.000 0.945 261 Q CB 0.763 29.411 28.738 -0.149 0.000 1.045 261 Q HN -0.067 nan 8.270 nan 0.000 0.511 262 S N -0.139 115.473 115.700 -0.148 0.000 2.528 262 S HA 0.133 4.602 4.470 -0.003 0.000 0.277 262 S C 0.905 175.407 174.600 -0.165 0.000 1.297 262 S CA -0.490 57.646 58.200 -0.107 0.000 1.052 262 S CB 0.739 63.917 63.200 -0.036 0.000 0.917 262 S HN 0.269 nan 8.310 nan 0.000 0.492 263 R N 3.477 123.797 120.500 -0.301 0.000 2.377 263 R HA 0.023 4.362 4.340 -0.003 0.000 0.207 263 R C -0.044 175.781 176.300 -0.792 0.000 1.075 263 R CA 1.573 57.355 56.100 -0.530 0.000 1.035 263 R CB -0.258 29.649 30.300 -0.655 0.000 0.857 263 R HN 0.832 nan 8.270 nan 0.000 0.475 264 Y N -1.031 119.089 120.300 -0.301 0.000 2.527 264 Y HA 0.157 4.706 4.550 -0.003 0.000 0.247 264 Y C 1.316 177.210 175.900 -0.011 0.000 1.138 264 Y CA -0.387 57.430 58.100 -0.471 0.000 1.228 264 Y CB 0.278 38.253 38.460 -0.810 0.000 1.252 264 Y HN 0.023 nan 8.280 nan 0.000 0.531 265 K N 0.028 120.538 120.400 0.183 0.000 2.163 265 K HA -0.270 4.048 4.320 -0.003 0.000 0.210 265 K C 0.298 177.111 176.600 0.355 0.000 1.048 265 K CA 2.374 58.854 56.287 0.322 0.000 0.928 265 K CB -0.326 32.363 32.500 0.314 0.000 0.716 265 K HN 0.194 nan 8.250 nan 0.000 0.459 266 D N -0.523 120.029 120.400 0.254 0.000 2.340 266 D HA -0.034 4.604 4.640 -0.003 0.000 0.220 266 D C 1.030 177.423 176.300 0.156 0.000 1.039 266 D CA 0.390 54.491 54.000 0.169 0.000 0.866 266 D CB -0.151 40.709 40.800 0.101 0.000 0.913 266 D HN 0.363 nan 8.370 nan 0.000 0.523 267 W N 0.348 121.538 121.300 -0.184 0.000 2.699 267 W HA 0.084 4.743 4.660 -0.003 0.000 0.249 267 W C 0.432 176.473 176.519 -0.796 0.000 1.280 267 W CA 0.097 57.122 57.345 -0.533 0.000 1.345 267 W CB -0.434 28.577 29.460 -0.747 0.000 1.128 267 W HN -0.153 nan 8.180 nan 0.000 0.642 268 F N -2.678 117.411 119.950 0.232 0.000 2.814 268 F HA 0.474 4.999 4.527 -0.003 0.000 0.353 268 F C -0.805 175.033 175.800 0.064 0.000 1.177 268 F CA -1.642 56.492 58.000 0.222 0.000 1.036 268 F CB 0.474 39.664 39.000 0.317 0.000 1.455 268 F HN -0.558 nan 8.300 nan 0.000 0.520 269 F N 2.352 122.550 119.950 0.413 0.000 2.443 269 F HA 0.499 5.024 4.527 -0.003 0.000 0.369 269 F C -0.603 175.341 175.800 0.240 0.000 1.090 269 F CA -0.414 57.740 58.000 0.257 0.000 1.129 269 F CB 0.712 39.841 39.000 0.216 0.000 1.367 269 F HN 0.003 nan 8.300 nan 0.000 0.465 270 I N 2.916 123.648 120.570 0.270 0.000 2.378 270 I HA 0.305 4.474 4.170 -0.003 0.000 0.291 270 I C 0.482 176.609 176.117 0.016 0.000 0.992 270 I CA -0.479 60.893 61.300 0.120 0.000 1.154 270 I CB 1.958 39.911 38.000 -0.079 0.000 1.315 270 I HN 0.534 nan 8.210 nan 0.000 0.448 271 E N 3.269 123.472 120.200 0.005 0.000 2.012 271 E HA -0.023 4.325 4.350 -0.003 0.000 0.192 271 E C -0.445 176.088 176.600 -0.111 0.000 0.977 271 E CA 1.004 57.392 56.400 -0.018 0.000 0.832 271 E CB 0.245 29.950 29.700 0.007 0.000 0.790 271 E HN 0.623 nan 8.360 nan 0.000 0.466 272 D N -1.872 118.432 120.400 -0.159 0.000 2.585 272 D HA 0.391 5.029 4.640 -0.003 0.000 0.254 272 D C -1.098 174.993 176.300 -0.348 0.000 1.067 272 D CA -0.611 53.288 54.000 -0.169 0.000 1.090 272 D CB 1.205 42.004 40.800 -0.001 0.000 1.408 272 D HN -0.107 nan 8.370 nan 0.000 0.554 273 F N 0.239 120.215 119.950 0.043 0.000 2.497 273 F HA 0.505 5.030 4.527 -0.003 0.000 0.331 273 F C -1.422 174.390 175.800 0.019 0.000 1.060 273 F CA -1.645 56.371 58.000 0.026 0.000 0.989 273 F CB 0.121 39.125 39.000 0.006 0.000 1.245 273 F HN 0.080 nan 8.300 nan 0.000 0.486 274 P HA 0.128 nan 4.420 nan 0.000 0.271 274 P C 0.756 178.152 177.300 0.158 0.000 1.216 274 P CA -0.281 62.941 63.100 0.203 0.000 0.776 274 P CB 0.935 32.694 31.700 0.097 0.000 0.881 275 V N 1.353 121.371 119.914 0.172 0.000 2.334 275 V HA -0.305 3.813 4.120 -0.003 0.000 0.240 275 V C 1.219 177.376 176.094 0.106 0.000 0.994 275 V CA 2.417 64.739 62.300 0.037 0.000 1.096 275 V CB -1.648 30.098 31.823 -0.128 0.000 0.772 275 V HN 0.960 nan 8.190 nan 0.000 0.512 276 S N -1.591 114.192 115.700 0.137 0.000 2.599 276 S HA 0.347 4.815 4.470 -0.003 0.000 0.269 276 S C -0.718 173.954 174.600 0.120 0.000 1.135 276 S CA -0.813 57.483 58.200 0.161 0.000 1.027 276 S CB 0.930 64.274 63.200 0.241 0.000 1.129 276 S HN 0.482 nan 8.310 nan 0.000 0.458 277 K N 3.492 123.936 120.400 0.073 0.000 1.893 277 K HA -0.003 4.315 4.320 -0.003 0.000 0.231 277 K C 1.545 178.175 176.600 0.050 0.000 1.196 277 K CA 0.816 57.134 56.287 0.053 0.000 1.339 277 K CB -0.802 31.720 32.500 0.037 0.000 0.907 277 K HN 0.727 nan 8.250 nan 0.000 0.351 278 T N 0.572 115.167 114.554 0.069 0.000 2.840 278 T HA -0.396 3.952 4.350 -0.003 0.000 0.249 278 T C 1.679 176.403 174.700 0.040 0.000 1.078 278 T CA 1.831 63.976 62.100 0.074 0.000 1.148 278 T CB -0.461 68.454 68.868 0.078 0.000 0.824 278 T HN 0.669 nan 8.240 nan 0.000 0.490 279 S N 0.517 116.232 115.700 0.026 0.000 2.068 279 S HA -0.337 4.131 4.470 -0.003 0.000 0.498 279 S C 1.966 176.559 174.600 -0.013 0.000 0.963 279 S CA 2.177 60.381 58.200 0.007 0.000 3.049 279 S CB -0.373 62.829 63.200 0.004 0.000 2.163 279 S HN 0.438 nan 8.310 nan 0.000 0.541 280 R N 0.191 120.673 120.500 -0.030 0.000 2.009 280 R HA 0.368 4.706 4.340 -0.003 0.000 0.213 280 R C 0.234 176.464 176.300 -0.116 0.000 1.297 280 R CA 1.034 57.097 56.100 -0.061 0.000 1.008 280 R CB -0.762 29.504 30.300 -0.057 0.000 0.852 280 R HN 0.554 nan 8.270 nan 0.000 0.475 281 T N 0.366 114.819 114.554 -0.170 0.000 3.464 281 T HA -0.022 4.326 4.350 -0.003 0.000 0.323 281 T C -1.714 172.776 174.700 -0.351 0.000 0.767 281 T CA -0.224 61.634 62.100 -0.403 0.000 0.998 281 T CB -0.812 67.759 68.868 -0.495 0.000 1.368 281 T HN 0.590 nan 8.240 nan 0.000 0.449 282 N N 3.718 122.252 118.700 -0.278 0.000 3.025 282 N HA 0.439 5.177 4.740 -0.003 0.000 0.315 282 N C -0.443 175.095 175.510 0.046 0.000 1.511 282 N CA -0.428 52.563 53.050 -0.098 0.000 1.097 282 N CB -0.213 38.261 38.487 -0.021 0.000 1.395 282 N HN 0.767 nan 8.380 nan 0.000 0.511 283 Y N -3.198 117.137 120.300 0.059 0.000 2.687 283 Y HA 0.458 5.007 4.550 -0.003 0.000 0.338 283 Y C -0.875 175.090 175.900 0.109 0.000 1.189 283 Y CA -1.257 56.914 58.100 0.117 0.000 1.097 283 Y CB 0.504 39.072 38.460 0.180 0.000 1.342 283 Y HN -0.119 nan 8.280 nan 0.000 0.461 284 E N 1.474 121.889 120.200 0.358 0.000 2.366 284 E HA 0.456 4.804 4.350 -0.003 0.000 0.266 284 E C -0.463 176.255 176.600 0.198 0.000 1.051 284 E CA 0.409 56.896 56.400 0.144 0.000 0.884 284 E CB 1.570 31.267 29.700 -0.004 0.000 1.006 284 E HN 0.806 nan 8.360 nan 0.000 0.417 285 T N -0.382 114.204 114.554 0.054 0.000 2.864 285 T HA 0.374 4.722 4.350 -0.003 0.000 0.299 285 T C -0.245 174.464 174.700 0.015 0.000 1.166 285 T CA -0.899 61.251 62.100 0.083 0.000 1.007 285 T CB 0.616 69.503 68.868 0.032 0.000 1.219 285 T HN 0.361 nan 8.240 nan 0.000 0.506 286 F N 2.869 122.741 119.950 -0.129 0.000 2.628 286 F HA 0.354 4.880 4.527 -0.003 0.000 0.362 286 F C 1.208 176.923 175.800 -0.143 0.000 1.148 286 F CA 1.041 58.926 58.000 -0.191 0.000 1.352 286 F CB -0.464 38.165 39.000 -0.618 0.000 1.081 286 F HN 1.397 nan 8.300 nan 0.000 0.605 287 A N 2.648 124.754 122.820 -1.189 0.000 5.778 287 A HA -0.250 4.068 4.320 -0.003 0.000 0.313 287 A C -0.325 177.008 177.584 -0.418 0.000 1.849 287 A CA 0.969 52.482 52.037 -0.873 0.000 0.746 287 A CB -2.147 16.222 19.000 -1.053 0.000 1.308 287 A HN 1.371 nan 8.150 nan 0.000 0.397 288 V N 0.801 120.524 119.914 -0.318 0.000 2.370 288 V HA 0.513 4.631 4.120 -0.003 0.000 0.279 288 V C 0.328 176.331 176.094 -0.152 0.000 1.029 288 V CA 0.393 62.572 62.300 -0.201 0.000 0.870 288 V CB 1.087 32.813 31.823 -0.162 0.000 0.984 288 V HN 0.951 nan 8.190 nan 0.000 0.451 289 Q N 2.182 121.899 119.800 -0.138 0.000 2.454 289 Q HA -0.149 4.189 4.340 -0.003 0.000 0.341 289 Q C -0.434 175.520 176.000 -0.078 0.000 1.437 289 Q CA 0.311 56.042 55.803 -0.120 0.000 0.935 289 Q CB -0.965 27.714 28.738 -0.098 0.000 1.164 289 Q HN 0.632 nan 8.270 nan 0.000 0.373 290 V N 2.153 122.032 119.914 -0.058 0.000 2.220 290 V HA 0.086 4.204 4.120 -0.003 0.000 0.265 290 V C -0.975 175.147 176.094 0.047 0.000 1.078 290 V CA -0.828 61.481 62.300 0.015 0.000 0.872 290 V CB 1.155 33.015 31.823 0.062 0.000 1.121 290 V HN 0.223 nan 8.190 nan 0.000 0.460 291 P HA -0.190 nan 4.420 nan 0.000 0.217 291 P C 1.415 178.832 177.300 0.195 0.000 1.148 291 P CA 1.588 64.765 63.100 0.129 0.000 0.828 291 P CB 0.436 32.208 31.700 0.119 0.000 0.783 292 A N -1.322 121.584 122.820 0.143 0.000 2.119 292 A HA 0.033 4.351 4.320 -0.003 0.000 0.217 292 A C 1.740 179.372 177.584 0.080 0.000 1.153 292 A CA 0.784 52.899 52.037 0.130 0.000 0.692 292 A CB -0.898 18.192 19.000 0.151 0.000 0.799 292 A HN 0.186 nan 8.150 nan 0.000 0.458 293 M N 1.399 121.045 119.600 0.077 0.000 2.999 293 M HA 0.222 4.700 4.480 -0.003 0.000 0.206 293 M C -2.709 173.637 176.300 0.077 0.000 1.111 293 M CA -2.141 53.188 55.300 0.048 0.000 0.946 293 M CB 1.662 34.237 32.600 -0.042 0.000 1.330 293 M HN -0.021 nan 8.290 nan 0.000 0.533 294 P HA 0.005 nan 4.420 nan 0.000 0.267 294 P C -0.804 176.677 177.300 0.301 0.000 1.209 294 P CA 0.088 63.199 63.100 0.017 0.000 0.763 294 P CB 0.511 31.670 31.700 -0.900 0.000 0.816 295 K N 4.096 124.726 120.400 0.382 0.000 2.484 295 K HA 0.087 4.406 4.320 -0.003 0.000 0.280 295 K C -0.351 176.563 176.600 0.524 0.000 1.013 295 K CA -0.130 56.402 56.287 0.409 0.000 1.029 295 K CB -0.040 32.588 32.500 0.213 0.000 0.902 295 K HN 0.427 nan 8.250 nan 0.000 0.481 296 L N 4.182 125.614 121.223 0.347 0.000 2.357 296 L HA 0.345 4.683 4.340 -0.003 0.000 0.273 296 L C 0.668 177.653 176.870 0.192 0.000 1.080 296 L CA -0.526 54.411 54.840 0.163 0.000 0.803 296 L CB 1.258 43.305 42.059 -0.020 0.000 1.174 296 L HN 0.616 nan 8.230 nan 0.000 0.443 297 R N 0.965 121.455 120.500 -0.016 0.000 2.565 297 R HA 0.106 4.444 4.340 -0.003 0.000 0.286 297 R C 0.733 176.935 176.300 -0.164 0.000 1.256 297 R CA 0.007 56.074 56.100 -0.056 0.000 1.238 297 R CB 0.401 30.452 30.300 -0.416 0.000 1.153 297 R HN 0.856 nan 8.270 nan 0.000 0.553 298 T N -0.392 114.086 114.554 -0.126 0.000 3.072 298 T HA -0.056 4.292 4.350 -0.003 0.000 0.266 298 T C 0.925 175.574 174.700 -0.085 0.000 1.127 298 T CA 0.834 62.820 62.100 -0.190 0.000 1.107 298 T CB 0.056 68.658 68.868 -0.444 0.000 0.910 298 T HN 0.629 nan 8.240 nan 0.000 0.513 299 E N 1.447 121.608 120.200 -0.064 0.000 2.208 299 E HA -0.015 4.333 4.350 -0.003 0.000 0.193 299 E C 0.886 177.425 176.600 -0.101 0.000 0.988 299 E CA 0.051 56.427 56.400 -0.040 0.000 0.828 299 E CB -0.149 29.553 29.700 0.004 0.000 0.763 299 E HN 0.421 nan 8.360 nan 0.000 0.478 300 N N 2.170 120.769 118.700 -0.169 0.000 2.452 300 N HA -0.028 4.710 4.740 -0.003 0.000 0.266 300 N C -1.618 173.738 175.510 -0.257 0.000 1.209 300 N CA -1.377 51.545 53.050 -0.213 0.000 0.929 300 N CB 1.079 39.390 38.487 -0.293 0.000 1.063 300 N HN -0.121 nan 8.380 nan 0.000 0.472 301 P HA -0.110 nan 4.420 nan 0.000 0.222 301 P C 0.388 177.521 177.300 -0.279 0.000 1.147 301 P CA 1.293 64.258 63.100 -0.225 0.000 0.790 301 P CB 0.439 32.054 31.700 -0.142 0.000 0.780 302 E N -0.417 119.615 120.200 -0.280 0.000 2.158 302 E HA -0.048 4.300 4.350 -0.003 0.000 0.191 302 E C 2.077 178.316 176.600 -0.602 0.000 0.982 302 E CA 0.540 56.783 56.400 -0.261 0.000 0.823 302 E CB -0.346 29.343 29.700 -0.019 0.000 0.766 302 E HN 0.059 nan 8.360 nan 0.000 0.468 303 V N 1.936 121.320 119.914 -0.884 0.000 2.223 303 V HA -0.287 3.831 4.120 -0.003 0.000 0.244 303 V C 2.398 178.164 176.094 -0.546 0.000 1.045 303 V CA 1.745 63.485 62.300 -0.933 0.000 1.000 303 V CB -0.521 30.823 31.823 -0.798 0.000 0.635 303 V HN 0.192 nan 8.190 nan 0.000 0.445 304 K N -0.324 119.778 120.400 -0.496 0.000 2.052 304 K HA -0.316 4.002 4.320 -0.003 0.000 0.215 304 K C 2.196 178.225 176.600 -0.951 0.000 1.053 304 K CA 2.291 58.120 56.287 -0.763 0.000 0.934 304 K CB -0.196 31.844 32.500 -0.767 0.000 0.717 304 K HN 0.371 nan 8.250 nan 0.000 0.450 305 E N -0.417 119.446 120.200 -0.561 0.000 2.110 305 E HA -0.184 4.164 4.350 -0.003 0.000 0.193 305 E C 1.666 178.184 176.600 -0.137 0.000 0.988 305 E CA 1.117 57.331 56.400 -0.310 0.000 0.804 305 E CB -0.429 29.192 29.700 -0.132 0.000 0.745 305 E HN 0.451 nan 8.360 nan 0.000 0.458 306 Y N 0.654 120.806 120.300 -0.246 0.000 2.184 306 Y HA -0.108 4.440 4.550 -0.003 0.000 0.290 306 Y C 1.985 177.808 175.900 -0.128 0.000 1.129 306 Y CA 1.385 59.428 58.100 -0.095 0.000 1.144 306 Y CB -0.159 38.263 38.460 -0.063 0.000 0.995 306 Y HN -0.042 nan 8.280 nan 0.000 0.513 307 L N -0.961 120.111 121.223 -0.252 0.000 2.046 307 L HA -0.239 4.100 4.340 -0.003 0.000 0.208 307 L C 2.371 179.162 176.870 -0.131 0.000 1.077 307 L CA 1.484 56.031 54.840 -0.488 0.000 0.747 307 L CB -0.892 40.632 42.059 -0.891 0.000 0.896 307 L HN 0.263 nan 8.230 nan 0.000 0.432 308 F N 0.246 120.041 119.950 -0.259 0.000 2.216 308 F HA -0.218 4.307 4.527 -0.003 0.000 0.300 308 F C 2.264 178.046 175.800 -0.031 0.000 1.085 308 F CA 0.306 58.247 58.000 -0.097 0.000 1.326 308 F CB -0.141 38.796 39.000 -0.105 0.000 1.027 308 F HN 0.202 nan 8.300 nan 0.000 0.497 309 D N -0.008 120.443 120.400 0.085 0.000 2.194 309 D HA -0.088 4.550 4.640 -0.003 0.000 0.204 309 D C 2.383 178.722 176.300 0.065 0.000 0.964 309 D CA 0.743 54.769 54.000 0.043 0.000 0.846 309 D CB -0.271 40.497 40.800 -0.053 0.000 0.962 309 D HN 0.060 nan 8.370 nan 0.000 0.490 310 V N 1.761 121.664 119.914 -0.018 0.000 2.287 310 V HA -0.279 3.840 4.120 -0.003 0.000 0.248 310 V C 2.593 179.007 176.094 0.534 0.000 1.053 310 V CA 2.018 64.445 62.300 0.211 0.000 1.027 310 V CB -0.828 31.095 31.823 0.166 0.000 0.646 310 V HN 0.173 nan 8.190 nan 0.000 0.447 311 A N 0.051 123.134 122.820 0.438 0.000 1.858 311 A HA -0.226 4.093 4.320 -0.003 0.000 0.216 311 A C 2.336 180.273 177.584 0.588 0.000 1.190 311 A CA 1.858 54.232 52.037 0.562 0.000 0.617 311 A CB -0.574 18.634 19.000 0.346 0.000 0.827 311 A HN 0.515 nan 8.150 nan 0.000 0.443 312 R N -1.816 118.896 120.500 0.353 0.000 2.154 312 R HA -0.206 4.132 4.340 -0.003 0.000 0.248 312 R C 1.986 178.437 176.300 0.251 0.000 1.155 312 R CA 1.790 58.048 56.100 0.263 0.000 0.979 312 R CB -0.599 29.804 30.300 0.172 0.000 0.869 312 R HN 0.669 nan 8.270 nan 0.000 0.452 313 F N -0.361 119.644 119.950 0.092 0.000 2.163 313 F HA -0.141 4.384 4.527 -0.003 0.000 0.297 313 F C 1.528 177.195 175.800 -0.221 0.000 1.094 313 F CA 1.101 59.004 58.000 -0.161 0.000 1.290 313 F CB -0.055 38.723 39.000 -0.371 0.000 1.017 313 F HN -0.040 nan 8.300 nan 0.000 0.483 314 W N 0.252 121.676 121.300 0.208 0.000 2.476 314 W HA -0.037 4.621 4.660 -0.003 0.000 0.281 314 W C 2.272 178.871 176.519 0.133 0.000 1.230 314 W CA 0.732 58.165 57.345 0.147 0.000 1.287 314 W CB -0.415 29.308 29.460 0.438 0.000 1.108 314 W HN -0.054 nan 8.180 nan 0.000 0.567 315 M N 0.019 119.874 119.600 0.425 0.000 2.279 315 M HA -0.165 4.313 4.480 -0.003 0.000 0.264 315 M C 1.362 177.733 176.300 0.117 0.000 1.062 315 M CA 1.548 57.010 55.300 0.269 0.000 1.099 315 M CB -0.524 32.269 32.600 0.322 0.000 1.394 315 M HN 0.067 nan 8.290 nan 0.000 0.426 316 E N 0.048 120.257 120.200 0.014 0.000 2.347 316 E HA -0.130 4.218 4.350 -0.003 0.000 0.196 316 E C 1.807 178.350 176.600 -0.096 0.000 1.008 316 E CA 0.463 56.829 56.400 -0.058 0.000 0.852 316 E CB 0.112 29.744 29.700 -0.113 0.000 0.783 316 E HN 0.427 nan 8.360 nan 0.000 0.505 317 Q N -0.743 119.001 119.800 -0.094 0.000 2.472 317 Q HA 0.020 4.358 4.340 -0.003 0.000 0.208 317 Q C 1.360 177.405 176.000 0.076 0.000 0.958 317 Q CA 0.959 56.767 55.803 0.009 0.000 0.932 317 Q CB 0.627 29.491 28.738 0.210 0.000 1.007 317 Q HN 0.412 nan 8.270 nan 0.000 0.508 318 G N 1.331 110.181 108.800 0.083 0.000 2.159 318 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.227 318 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.227 318 G C 0.402 175.378 174.900 0.127 0.000 0.986 318 G CA 0.201 45.360 45.100 0.098 0.000 0.651 318 G HN 0.470 nan 8.290 nan 0.000 0.523 319 I N -1.824 118.826 120.570 0.133 0.000 3.112 319 I HA 0.534 4.702 4.170 -0.003 0.000 0.284 319 I C 0.611 176.756 176.117 0.046 0.000 1.227 319 I CA 0.667 62.014 61.300 0.077 0.000 1.369 319 I CB 0.423 38.430 38.000 0.012 0.000 1.376 319 I HN -0.031 nan 8.210 nan 0.000 0.608 320 D N 1.585 121.994 120.400 0.014 0.000 2.513 320 D HA 0.487 5.125 4.640 -0.003 0.000 0.222 320 D C 0.244 176.620 176.300 0.126 0.000 1.210 320 D CA 0.116 54.141 54.000 0.041 0.000 0.825 320 D CB 1.166 41.909 40.800 -0.095 0.000 1.037 320 D HN 1.001 nan 8.370 nan 0.000 0.506 321 G N -0.205 108.574 108.800 -0.036 0.000 2.320 321 G HA2 0.337 4.295 3.960 -0.003 0.000 0.297 321 G HA3 0.337 4.295 3.960 -0.003 0.000 0.297 321 G C -2.116 172.646 174.900 -0.230 0.000 1.344 321 G CA -1.212 43.897 45.100 0.015 0.000 0.851 321 G HN 0.026 nan 8.290 nan 0.000 0.567 322 W N 0.161 121.540 121.300 0.131 0.000 2.915 322 W HA 0.764 5.423 4.660 -0.003 0.000 0.337 322 W C 0.181 176.623 176.519 -0.129 0.000 1.102 322 W CA -0.880 56.513 57.345 0.080 0.000 1.224 322 W CB 2.176 31.766 29.460 0.216 0.000 1.416 322 W HN 0.520 nan 8.180 nan 0.000 0.503 323 R N 3.522 124.040 120.500 0.031 0.000 2.460 323 R HA 0.630 4.968 4.340 -0.003 0.000 0.303 323 R C -1.602 174.577 176.300 -0.202 0.000 0.968 323 R CA -0.542 55.381 56.100 -0.295 0.000 0.889 323 R CB 1.018 31.001 30.300 -0.529 0.000 1.123 323 R HN 0.771 nan 8.270 nan 0.000 0.455 324 L N 3.498 124.480 121.223 -0.402 0.000 2.298 324 L HA 0.290 4.628 4.340 -0.003 0.000 0.284 324 L C -0.165 176.538 176.870 -0.278 0.000 1.013 324 L CA -1.033 53.553 54.840 -0.424 0.000 0.824 324 L CB 1.592 43.142 42.059 -0.848 0.000 1.221 324 L HN 0.555 nan 8.230 nan 0.000 0.418 325 D N 2.464 122.795 120.400 -0.115 0.000 2.425 325 D HA 0.172 4.810 4.640 -0.003 0.000 0.247 325 D C 0.744 177.036 176.300 -0.014 0.000 1.147 325 D CA 0.235 54.238 54.000 0.005 0.000 0.879 325 D CB 0.992 41.858 40.800 0.110 0.000 1.179 325 D HN 0.345 nan 8.370 nan 0.000 0.456 326 V N 2.726 122.658 119.914 0.030 0.000 5.175 326 V HA -0.319 3.799 4.120 -0.003 0.000 0.279 326 V C 1.668 177.800 176.094 0.062 0.000 0.571 326 V CA 0.986 63.338 62.300 0.086 0.000 0.694 326 V CB -2.598 29.339 31.823 0.191 0.000 0.525 326 V HN 0.718 nan 8.190 nan 0.000 1.093 327 A N 0.902 123.685 122.820 -0.061 0.000 2.125 327 A HA -0.183 4.135 4.320 -0.003 0.000 0.219 327 A C 1.785 179.439 177.584 0.116 0.000 1.156 327 A CA 1.812 53.841 52.037 -0.013 0.000 0.671 327 A CB -0.629 18.034 19.000 -0.562 0.000 0.794 327 A HN 1.102 nan 8.150 nan 0.000 0.459 328 N N -1.053 117.601 118.700 -0.075 0.000 2.461 328 N HA -0.016 4.722 4.740 -0.003 0.000 0.188 328 N C 0.692 176.349 175.510 0.245 0.000 1.134 328 N CA 0.590 53.615 53.050 -0.041 0.000 0.878 328 N CB -0.002 38.347 38.487 -0.230 0.000 0.972 328 N HN 0.574 nan 8.380 nan 0.000 0.456 329 E N 0.471 120.791 120.200 0.200 0.000 2.558 329 E HA 0.163 4.511 4.350 -0.003 0.000 0.205 329 E C -0.780 175.895 176.600 0.126 0.000 1.006 329 E CA -0.207 56.291 56.400 0.162 0.000 0.961 329 E CB 1.126 30.902 29.700 0.125 0.000 1.044 329 E HN 0.110 nan 8.360 nan 0.000 0.465 330 V N 3.268 123.287 119.914 0.175 0.000 2.459 330 V HA 0.052 4.170 4.120 -0.003 0.000 0.295 330 V C 0.082 176.187 176.094 0.017 0.000 1.029 330 V CA -1.104 61.175 62.300 -0.035 0.000 0.874 330 V CB 1.669 33.305 31.823 -0.311 0.000 0.985 330 V HN 0.228 nan 8.190 nan 0.000 0.438 331 D N 2.577 122.951 120.400 -0.043 0.000 2.419 331 D HA -0.071 4.567 4.640 -0.003 0.000 0.236 331 D C 0.769 177.139 176.300 0.117 0.000 1.165 331 D CA 0.061 54.102 54.000 0.069 0.000 0.882 331 D CB 0.893 41.747 40.800 0.091 0.000 1.201 331 D HN 0.628 nan 8.370 nan 0.000 0.443 332 H N 1.117 120.330 119.070 0.238 0.000 2.387 332 H HA -0.065 4.490 4.556 -0.003 0.000 0.299 332 H C 2.164 177.618 175.328 0.210 0.000 1.099 332 H CA 2.251 58.446 56.048 0.244 0.000 1.315 332 H CB -0.177 29.624 29.762 0.064 0.000 1.380 332 H HN 0.644 nan 8.280 nan 0.000 0.513 333 A N 0.702 123.673 122.820 0.252 0.000 1.917 333 A HA -0.244 4.074 4.320 -0.003 0.000 0.219 333 A C 2.142 179.841 177.584 0.192 0.000 1.182 333 A CA 1.714 53.857 52.037 0.176 0.000 0.633 333 A CB -1.017 18.051 19.000 0.114 0.000 0.819 333 A HN 0.458 nan 8.150 nan 0.000 0.448 334 F N -0.768 119.170 119.950 -0.020 0.000 2.046 334 F HA -0.198 4.328 4.527 -0.003 0.000 0.297 334 F C 2.100 177.938 175.800 0.064 0.000 1.123 334 F CA 1.868 59.800 58.000 -0.114 0.000 1.199 334 F CB -0.702 38.019 39.000 -0.466 0.000 0.972 334 F HN 0.428 nan 8.300 nan 0.000 0.474 335 W N 0.561 122.253 121.300 0.653 0.000 2.318 335 W HA -0.210 4.449 4.660 -0.003 0.000 0.313 335 W C 2.694 179.429 176.519 0.361 0.000 1.221 335 W CA 1.237 58.923 57.345 0.569 0.000 1.266 335 W CB -0.630 29.130 29.460 0.499 0.000 1.150 335 W HN -0.132 nan 8.180 nan 0.000 0.496 336 R N 0.345 121.097 120.500 0.419 0.000 2.105 336 R HA -0.164 4.174 4.340 -0.003 0.000 0.239 336 R C 1.852 178.260 176.300 0.180 0.000 1.135 336 R CA 1.753 57.995 56.100 0.236 0.000 0.967 336 R CB -0.413 29.977 30.300 0.150 0.000 0.861 336 R HN 0.386 nan 8.270 nan 0.000 0.442 337 E N -0.560 119.749 120.200 0.180 0.000 2.170 337 E HA -0.120 4.228 4.350 -0.003 0.000 0.191 337 E C 1.577 178.162 176.600 -0.025 0.000 0.981 337 E CA 0.425 56.887 56.400 0.103 0.000 0.830 337 E CB -0.068 29.732 29.700 0.167 0.000 0.775 337 E HN 0.177 nan 8.360 nan 0.000 0.470 338 F N 2.352 122.214 119.950 -0.146 0.000 2.102 338 F HA -0.173 4.353 4.527 -0.003 0.000 0.298 338 F C 2.363 178.122 175.800 -0.068 0.000 1.105 338 F CA 1.571 59.396 58.000 -0.293 0.000 1.239 338 F CB -0.046 39.066 39.000 0.187 0.000 0.991 338 F HN -0.213 nan 8.300 nan 0.000 0.474 339 R N 0.445 120.995 120.500 0.083 0.000 2.120 339 R HA -0.187 4.151 4.340 -0.003 0.000 0.234 339 R C 2.608 178.850 176.300 -0.097 0.000 1.123 339 R CA 1.446 57.529 56.100 -0.028 0.000 0.975 339 R CB -0.418 29.955 30.300 0.122 0.000 0.866 339 R HN 0.284 nan 8.270 nan 0.000 0.446 340 R N 0.699 121.155 120.500 -0.073 0.000 2.090 340 R HA -0.124 4.214 4.340 -0.003 0.000 0.228 340 R C 2.099 178.329 176.300 -0.116 0.000 1.110 340 R CA 1.093 57.155 56.100 -0.064 0.000 0.973 340 R CB -0.377 29.909 30.300 -0.024 0.000 0.869 340 R HN 0.276 nan 8.270 nan 0.000 0.440 341 L N 1.056 122.145 121.223 -0.225 0.000 1.988 341 L HA -0.101 4.237 4.340 -0.003 0.000 0.207 341 L C 2.323 179.053 176.870 -0.233 0.000 1.071 341 L CA 1.566 56.251 54.840 -0.259 0.000 0.744 341 L CB -0.802 40.966 42.059 -0.485 0.000 0.893 341 L HN -0.043 nan 8.230 nan 0.000 0.433 342 V N 0.438 120.125 119.914 -0.379 0.000 2.332 342 V HA -0.291 3.827 4.120 -0.003 0.000 0.248 342 V C 2.684 178.737 176.094 -0.068 0.000 1.055 342 V CA 1.945 64.111 62.300 -0.223 0.000 1.038 342 V CB -0.866 30.744 31.823 -0.355 0.000 0.651 342 V HN 0.456 nan 8.190 nan 0.000 0.450 343 K N 0.724 121.077 120.400 -0.077 0.000 2.155 343 K HA -0.078 4.240 4.320 -0.003 0.000 0.203 343 K C 2.411 179.012 176.600 0.001 0.000 1.052 343 K CA 1.572 57.853 56.287 -0.009 0.000 0.948 343 K CB -0.507 31.997 32.500 0.006 0.000 0.728 343 K HN 0.681 nan 8.250 nan 0.000 0.448 344 S N 1.028 116.716 115.700 -0.019 0.000 2.406 344 S HA -0.014 4.454 4.470 -0.003 0.000 0.228 344 S C 2.122 176.729 174.600 0.012 0.000 1.020 344 S CA 0.476 58.675 58.200 -0.002 0.000 0.965 344 S CB -0.407 62.787 63.200 -0.010 0.000 0.798 344 S HN 0.165 nan 8.310 nan 0.000 0.488 345 L N 0.833 122.064 121.223 0.014 0.000 2.240 345 L HA 0.240 4.579 4.340 -0.003 0.000 0.211 345 L C 0.639 177.540 176.870 0.052 0.000 1.106 345 L CA 0.620 55.483 54.840 0.038 0.000 0.793 345 L CB -0.268 41.825 42.059 0.057 0.000 0.927 345 L HN 0.386 nan 8.230 nan 0.000 0.446 346 N N -0.981 117.753 118.700 0.057 0.000 2.875 346 N HA 0.107 4.845 4.740 -0.003 0.000 0.253 346 N C -2.224 173.335 175.510 0.082 0.000 1.296 346 N CA -1.218 51.875 53.050 0.072 0.000 0.816 346 N CB 1.172 39.715 38.487 0.092 0.000 1.504 346 N HN -0.296 nan 8.380 nan 0.000 0.582 347 P HA -0.055 nan 4.420 nan 0.000 0.221 347 P C -0.206 177.157 177.300 0.105 0.000 1.145 347 P CA 1.126 64.270 63.100 0.073 0.000 0.795 347 P CB 0.385 32.120 31.700 0.059 0.000 0.775 348 D N -0.214 120.275 120.400 0.150 0.000 2.336 348 D HA 0.176 4.814 4.640 -0.003 0.000 0.228 348 D C 0.469 177.012 176.300 0.404 0.000 1.120 348 D CA 0.035 54.203 54.000 0.281 0.000 0.839 348 D CB 0.269 41.263 40.800 0.323 0.000 0.932 348 D HN 0.133 nan 8.370 nan 0.000 0.509 349 A N 1.285 124.259 122.820 0.257 0.000 2.347 349 A HA 0.243 4.561 4.320 -0.003 0.000 0.287 349 A C 0.150 177.888 177.584 0.256 0.000 1.199 349 A CA -0.474 51.726 52.037 0.272 0.000 0.851 349 A CB 0.370 19.494 19.000 0.207 0.000 1.118 349 A HN 0.141 nan 8.150 nan 0.000 0.525 350 L N 3.118 124.537 121.223 0.326 0.000 2.485 350 L HA 0.289 4.627 4.340 -0.003 0.000 0.275 350 L C -0.171 176.778 176.870 0.132 0.000 1.207 350 L CA 0.798 55.734 54.840 0.160 0.000 0.855 350 L CB 0.113 42.279 42.059 0.179 0.000 1.114 350 L HN 0.577 nan 8.230 nan 0.000 0.485 351 I N 4.981 125.567 120.570 0.027 0.000 2.468 351 I HA 0.349 4.518 4.170 -0.003 0.000 0.285 351 I C -1.094 174.863 176.117 -0.266 0.000 1.039 351 I CA -0.638 60.659 61.300 -0.005 0.000 1.074 351 I CB 1.841 39.913 38.000 0.120 0.000 1.228 351 I HN 0.149 nan 8.210 nan 0.000 0.436 352 V N 4.689 124.298 119.914 -0.508 0.000 2.540 352 V HA 0.673 4.791 4.120 -0.003 0.000 0.302 352 V C 0.447 175.991 176.094 -0.918 0.000 1.035 352 V CA -0.506 61.312 62.300 -0.805 0.000 0.873 352 V CB 1.894 32.923 31.823 -1.323 0.000 0.992 352 V HN 0.853 nan 8.190 nan 0.000 0.428 353 G N 2.015 110.203 108.800 -1.019 0.000 2.371 353 G HA2 0.496 4.455 3.960 -0.003 0.000 0.326 353 G HA3 0.496 4.455 3.960 -0.003 0.000 0.326 353 G C -0.461 174.072 174.900 -0.611 0.000 1.127 353 G CA -0.378 44.021 45.100 -1.168 0.000 0.885 353 G HN 0.694 nan 8.290 nan 0.000 0.477 354 E N 1.710 121.653 120.200 -0.428 0.000 1.932 354 E HA 0.273 4.622 4.350 -0.003 0.000 0.275 354 E C -0.698 175.870 176.600 -0.053 0.000 1.159 354 E CA -0.082 56.235 56.400 -0.137 0.000 0.905 354 E CB 0.167 29.887 29.700 0.033 0.000 1.059 354 E HN 0.279 nan 8.360 nan 0.000 0.400 355 I N 3.892 124.439 120.570 -0.038 0.000 2.569 355 I HA 0.177 4.346 4.170 -0.003 0.000 0.290 355 I C -0.189 176.049 176.117 0.200 0.000 1.088 355 I CA -0.701 60.599 61.300 -0.001 0.000 1.047 355 I CB 1.316 39.075 38.000 -0.403 0.000 1.237 355 I HN 0.562 nan 8.210 nan 0.000 0.421 356 W N 3.220 124.545 121.300 0.043 0.000 2.630 356 W HA 0.066 4.724 4.660 -0.003 0.000 0.271 356 W C 1.676 178.314 176.519 0.199 0.000 1.244 356 W CA 0.372 57.776 57.345 0.098 0.000 1.353 356 W CB -0.073 29.326 29.460 -0.101 0.000 1.080 356 W HN 0.527 nan 8.180 nan 0.000 0.594 357 H N -0.512 118.754 119.070 0.327 0.000 2.211 357 H HA 0.052 4.606 4.556 -0.003 0.000 0.327 357 H C 0.023 175.534 175.328 0.305 0.000 1.722 357 H CA -0.178 56.034 56.048 0.273 0.000 1.437 357 H CB -0.756 29.144 29.762 0.231 0.000 1.716 357 H HN -0.199 nan 8.280 nan 0.000 0.618 358 D N -0.334 120.275 120.400 0.348 0.000 2.451 358 D HA 0.067 4.705 4.640 -0.003 0.000 0.254 358 D C -0.023 176.479 176.300 0.336 0.000 1.204 358 D CA 0.215 54.412 54.000 0.328 0.000 0.896 358 D CB 0.200 41.194 40.800 0.323 0.000 1.136 358 D HN 0.627 nan 8.370 nan 0.000 0.499 359 A N 3.414 126.507 122.820 0.455 0.000 2.610 359 A HA 0.179 4.497 4.320 -0.003 0.000 0.286 359 A C 1.807 179.688 177.584 0.495 0.000 1.306 359 A CA -0.296 52.019 52.037 0.462 0.000 0.942 359 A CB 0.055 19.134 19.000 0.132 0.000 1.112 359 A HN 0.495 nan 8.150 nan 0.000 0.527 360 S N 0.297 116.315 115.700 0.530 0.000 2.353 360 S HA -0.147 4.321 4.470 -0.003 0.000 0.222 360 S C 2.197 176.875 174.600 0.129 0.000 1.035 360 S CA 1.533 59.963 58.200 0.384 0.000 1.025 360 S CB -0.721 62.677 63.200 0.329 0.000 0.902 360 S HN 0.817 nan 8.310 nan 0.000 0.440 361 G N 0.869 109.658 108.800 -0.018 0.000 2.597 361 G HA2 -0.247 3.712 3.960 -0.003 0.000 0.222 361 G HA3 -0.247 3.712 3.960 -0.003 0.000 0.222 361 G C 0.830 175.495 174.900 -0.390 0.000 1.135 361 G CA 1.027 45.900 45.100 -0.380 0.000 0.759 361 G HN 0.607 nan 8.290 nan 0.000 0.595 362 W N -0.442 120.806 121.300 -0.087 0.000 3.239 362 W HA 0.497 5.156 4.660 -0.003 0.000 0.348 362 W C 0.670 176.972 176.519 -0.361 0.000 1.183 362 W CA -0.326 56.805 57.345 -0.356 0.000 1.819 362 W CB 0.127 29.194 29.460 -0.655 0.000 1.091 362 W HN 0.106 nan 8.180 nan 0.000 0.629 363 L N 0.486 121.692 121.223 -0.028 0.000 3.288 363 L HA 0.149 4.487 4.340 -0.003 0.000 0.293 363 L C 1.399 178.225 176.870 -0.073 0.000 1.294 363 L CA -0.233 54.583 54.840 -0.039 0.000 1.006 363 L CB 0.126 42.103 42.059 -0.136 0.000 1.407 363 L HN -0.231 nan 8.230 nan 0.000 0.592 364 M N -0.300 119.166 119.600 -0.224 0.000 2.556 364 M HA 0.270 4.748 4.480 -0.003 0.000 0.245 364 M C 1.525 177.434 176.300 -0.651 0.000 1.128 364 M CA 0.512 55.667 55.300 -0.241 0.000 1.069 364 M CB 0.073 32.591 32.600 -0.136 0.000 1.469 364 M HN 0.306 nan 8.290 nan 0.000 0.494 365 G N -0.331 107.732 108.800 -1.228 0.000 2.260 365 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.179 365 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.179 365 G C 0.454 174.967 174.900 -0.644 0.000 1.002 365 G CA 0.362 44.494 45.100 -1.613 0.000 0.677 365 G HN 0.494 nan 8.290 nan 0.000 0.486 366 D N -0.336 119.825 120.400 -0.398 0.000 2.433 366 D HA 0.268 4.906 4.640 -0.003 0.000 0.211 366 D C 1.384 177.642 176.300 -0.069 0.000 1.114 366 D CA 0.630 54.528 54.000 -0.170 0.000 0.837 366 D CB 0.214 40.948 40.800 -0.109 0.000 0.984 366 D HN 0.502 nan 8.370 nan 0.000 0.505 367 Q N -1.035 118.697 119.800 -0.114 0.000 1.981 367 Q HA 0.301 4.639 4.340 -0.003 0.000 0.157 367 Q C -0.513 175.591 176.000 0.173 0.000 0.503 367 Q CA -0.415 55.375 55.803 -0.021 0.000 0.695 367 Q CB 0.761 29.325 28.738 -0.290 0.000 1.038 367 Q HN 0.004 nan 8.270 nan 0.000 0.388 368 F N 1.654 121.617 119.950 0.023 0.000 2.399 368 F HA 0.213 4.739 4.527 -0.003 0.000 0.328 368 F C 0.904 176.725 175.800 0.034 0.000 1.084 368 F CA -1.149 56.829 58.000 -0.036 0.000 1.053 368 F CB 0.416 39.331 39.000 -0.141 0.000 1.209 368 F HN 0.214 nan 8.300 nan 0.000 0.502 369 D N -0.328 120.211 120.400 0.231 0.000 2.234 369 D HA -0.016 4.623 4.640 -0.003 0.000 0.205 369 D C 0.699 177.021 176.300 0.037 0.000 0.962 369 D CA 1.006 55.122 54.000 0.193 0.000 0.855 369 D CB 0.552 41.375 40.800 0.039 0.000 0.951 369 D HN 0.322 nan 8.370 nan 0.000 0.500 370 S N -0.888 114.757 115.700 -0.090 0.000 2.611 370 S HA 0.484 4.953 4.470 -0.003 0.000 0.268 370 S C -1.441 172.950 174.600 -0.348 0.000 1.156 370 S CA -0.726 57.320 58.200 -0.256 0.000 0.817 370 S CB 1.285 64.233 63.200 -0.420 0.000 1.122 370 S HN -0.062 nan 8.310 nan 0.000 0.466 371 V N 0.087 119.792 119.914 -0.350 0.000 3.155 371 V HA 0.681 4.799 4.120 -0.003 0.000 0.313 371 V C -0.389 175.486 176.094 -0.365 0.000 1.162 371 V CA -1.163 60.913 62.300 -0.374 0.000 1.048 371 V CB 1.802 33.491 31.823 -0.224 0.000 1.092 371 V HN 0.932 nan 8.190 nan 0.000 0.447 372 M N 2.692 122.100 119.600 -0.321 0.000 2.266 372 M HA 0.242 4.720 4.480 -0.003 0.000 0.340 372 M C 0.454 176.597 176.300 -0.262 0.000 1.486 372 M CA 0.327 55.457 55.300 -0.284 0.000 1.209 372 M CB -0.437 31.988 32.600 -0.291 0.000 1.714 372 M HN 0.855 nan 8.290 nan 0.000 0.459 373 N N 2.624 121.213 118.700 -0.186 0.000 2.744 373 N HA -0.007 4.732 4.740 -0.003 0.000 0.290 373 N C -0.010 175.498 175.510 -0.004 0.000 1.206 373 N CA -0.092 52.941 53.050 -0.029 0.000 1.119 373 N CB 0.269 38.766 38.487 0.016 0.000 1.449 373 N HN 0.544 nan 8.380 nan 0.000 0.514 374 Y N 1.156 121.430 120.300 -0.043 0.000 2.571 374 Y HA -0.069 4.480 4.550 -0.003 0.000 0.294 374 Y C 1.577 177.541 175.900 0.107 0.000 1.141 374 Y CA 0.435 58.495 58.100 -0.066 0.000 1.308 374 Y CB 0.239 38.481 38.460 -0.363 0.000 1.002 374 Y HN 0.519 nan 8.280 nan 0.000 0.551 375 L N -1.991 119.404 121.223 0.288 0.000 2.095 375 L HA -0.148 4.191 4.340 -0.003 0.000 0.204 375 L C 2.197 179.212 176.870 0.243 0.000 1.080 375 L CA 1.006 55.994 54.840 0.246 0.000 0.759 375 L CB -0.787 41.400 42.059 0.213 0.000 0.914 375 L HN 0.170 nan 8.230 nan 0.000 0.439 376 F N 1.254 121.269 119.950 0.109 0.000 2.161 376 F HA -0.237 4.289 4.527 -0.002 0.000 0.300 376 F C 2.766 178.655 175.800 0.148 0.000 1.089 376 F CA 1.604 59.672 58.000 0.113 0.000 1.282 376 F CB -0.255 38.806 39.000 0.102 0.000 1.010 376 F HN -0.109 nan 8.300 nan 0.000 0.485 377 R N 0.507 121.197 120.500 0.317 0.000 2.092 377 R HA -0.140 4.199 4.340 -0.003 0.000 0.231 377 R C 2.166 178.564 176.300 0.163 0.000 1.119 377 R CA 1.784 58.007 56.100 0.205 0.000 0.970 377 R CB -0.406 30.031 30.300 0.228 0.000 0.864 377 R HN 0.415 nan 8.270 nan 0.000 0.440 378 E N -0.220 120.092 120.200 0.186 0.000 2.153 378 E HA -0.121 4.228 4.350 -0.003 0.000 0.194 378 E C 1.872 178.552 176.600 0.134 0.000 0.988 378 E CA 1.429 57.934 56.400 0.175 0.000 0.811 378 E CB 0.121 29.927 29.700 0.176 0.000 0.746 378 E HN 0.303 nan 8.360 nan 0.000 0.466 379 S N 0.123 115.874 115.700 0.086 0.000 2.406 379 S HA -0.073 4.395 4.470 -0.003 0.000 0.228 379 S C 2.104 176.852 174.600 0.246 0.000 1.020 379 S CA 0.500 58.768 58.200 0.115 0.000 0.965 379 S CB 0.139 63.319 63.200 -0.034 0.000 0.798 379 S HN 0.056 nan 8.310 nan 0.000 0.488 380 V N 2.195 122.204 119.914 0.158 0.000 2.488 380 V HA -0.077 4.041 4.120 -0.003 0.000 0.246 380 V C 2.142 178.494 176.094 0.429 0.000 1.046 380 V CA 0.969 63.441 62.300 0.288 0.000 1.053 380 V CB -0.516 31.284 31.823 -0.039 0.000 0.679 380 V HN 0.396 nan 8.190 nan 0.000 0.458 381 I N 0.304 121.088 120.570 0.356 0.000 2.090 381 I HA -0.235 3.934 4.170 -0.003 0.000 0.236 381 I C 2.651 178.859 176.117 0.152 0.000 1.064 381 I CA 1.836 63.315 61.300 0.297 0.000 1.324 381 I CB -1.109 37.023 38.000 0.219 0.000 1.044 381 I HN 0.264 nan 8.210 nan 0.000 0.399 382 R N -0.619 119.955 120.500 0.124 0.000 2.127 382 R HA -0.221 4.117 4.340 -0.003 0.000 0.238 382 R C 2.189 178.499 176.300 0.017 0.000 1.134 382 R CA 1.576 57.713 56.100 0.063 0.000 0.975 382 R CB -0.303 30.036 30.300 0.066 0.000 0.865 382 R HN 0.274 nan 8.270 nan 0.000 0.447 383 F N -0.811 118.995 119.950 -0.240 0.000 2.220 383 F HA 0.078 4.604 4.527 -0.003 0.000 0.290 383 F C 1.314 176.764 175.800 -0.582 0.000 1.080 383 F CA 0.949 58.597 58.000 -0.586 0.000 1.318 383 F CB -0.041 38.161 39.000 -1.330 0.000 1.063 383 F HN -0.167 nan 8.300 nan 0.000 0.498 384 F N -0.451 119.338 119.950 -0.268 0.000 2.530 384 F HA 0.271 4.796 4.527 -0.003 0.000 0.292 384 F C 2.080 177.795 175.800 -0.142 0.000 1.109 384 F CA 0.622 58.486 58.000 -0.227 0.000 1.450 384 F CB -0.711 38.323 39.000 0.057 0.000 1.114 384 F HN 0.055 nan 8.300 nan 0.000 0.560 385 A N 0.227 123.048 122.820 0.000 0.000 2.383 385 A HA -0.004 4.315 4.320 -0.003 0.000 0.225 385 A C 2.186 179.695 177.584 -0.125 0.000 1.946 385 A CA 1.112 53.050 52.037 -0.164 0.000 0.739 385 A CB -1.437 17.359 19.000 -0.340 0.000 1.405 385 A HN 0.243 nan 8.150 nan 0.000 0.548 386 T N -2.200 112.295 114.554 -0.098 0.000 2.760 386 T HA 0.096 4.444 4.350 -0.003 0.000 0.269 386 T C 1.592 176.246 174.700 -0.075 0.000 1.047 386 T CA 2.004 64.062 62.100 -0.070 0.000 1.139 386 T CB -1.076 67.768 68.868 -0.040 0.000 0.855 386 T HN 2.173 nan 8.240 nan 0.000 0.471 387 G N 1.118 109.853 108.800 -0.108 0.000 2.187 387 G HA2 -0.326 3.633 3.960 -0.003 0.000 0.261 387 G HA3 -0.326 3.633 3.960 -0.003 0.000 0.261 387 G C 0.489 175.347 174.900 -0.071 0.000 1.000 387 G CA 0.701 45.725 45.100 -0.126 0.000 0.718 387 G HN 0.659 nan 8.290 nan 0.000 0.519 388 E N -0.564 119.608 120.200 -0.048 0.000 2.204 388 E HA 0.045 4.393 4.350 -0.003 0.000 0.195 388 E C 1.602 178.175 176.600 -0.045 0.000 0.990 388 E CA 1.200 57.579 56.400 -0.034 0.000 0.821 388 E CB -0.006 29.681 29.700 -0.022 0.000 0.750 388 E HN 0.947 nan 8.360 nan 0.000 0.477 389 I N -1.774 118.770 120.570 -0.043 0.000 2.892 389 I HA 0.456 4.625 4.170 -0.003 0.000 0.306 389 I C -0.290 175.846 176.117 0.031 0.000 1.078 389 I CA -1.431 59.819 61.300 -0.084 0.000 1.032 389 I CB 1.669 39.626 38.000 -0.071 0.000 1.229 389 I HN -0.157 nan 8.210 nan 0.000 0.435 390 H N 2.798 121.919 119.070 0.085 0.000 2.649 390 H HA 0.767 5.321 4.556 -0.003 0.000 0.337 390 H C 0.936 176.332 175.328 0.112 0.000 1.282 390 H CA -0.405 55.726 56.048 0.138 0.000 1.333 390 H CB 0.716 30.509 29.762 0.052 0.000 1.787 390 H HN 0.712 nan 8.280 nan 0.000 0.632 391 A N 0.176 123.237 122.820 0.403 0.000 1.917 391 A HA -0.245 4.073 4.320 -0.003 0.000 0.219 391 A C 1.961 179.551 177.584 0.010 0.000 1.182 391 A CA 2.054 54.114 52.037 0.039 0.000 0.633 391 A CB -1.032 18.071 19.000 0.172 0.000 0.819 391 A HN 0.864 nan 8.150 nan 0.000 0.448 392 E N -1.199 119.147 120.200 0.243 0.000 2.047 392 E HA -0.203 4.146 4.350 -0.003 0.000 0.191 392 E C 2.297 178.931 176.600 0.056 0.000 0.987 392 E CA 1.298 57.784 56.400 0.143 0.000 0.799 392 E CB -0.144 29.652 29.700 0.161 0.000 0.752 392 E HN 0.560 nan 8.360 nan 0.000 0.449 393 R N 0.678 121.189 120.500 0.019 0.000 2.115 393 R HA -0.120 4.219 4.340 -0.003 0.000 0.230 393 R C 1.869 178.067 176.300 -0.170 0.000 1.111 393 R CA 1.034 57.036 56.100 -0.164 0.000 0.976 393 R CB -0.539 29.524 30.300 -0.394 0.000 0.870 393 R HN 0.197 nan 8.270 nan 0.000 0.445 394 F N 0.801 120.482 119.950 -0.450 0.000 2.039 394 F HA -0.181 4.344 4.527 -0.003 0.000 0.294 394 F C 2.065 177.448 175.800 -0.694 0.000 1.130 394 F CA 1.900 59.480 58.000 -0.700 0.000 1.189 394 F CB -0.524 37.669 39.000 -1.346 0.000 0.983 394 F HN 0.155 nan 8.300 nan 0.000 0.471 395 D N 0.709 120.621 120.400 -0.813 0.000 2.204 395 D HA -0.322 4.316 4.640 -0.003 0.000 0.189 395 D C 2.172 178.260 176.300 -0.353 0.000 1.006 395 D CA 2.028 55.628 54.000 -0.667 0.000 0.855 395 D CB -0.688 39.949 40.800 -0.273 0.000 0.946 395 D HN 0.383 nan 8.370 nan 0.000 0.448 396 A N 0.423 123.117 122.820 -0.211 0.000 1.892 396 A HA -0.247 4.072 4.320 -0.003 0.000 0.218 396 A C 2.200 179.701 177.584 -0.138 0.000 1.188 396 A CA 2.220 54.191 52.037 -0.110 0.000 0.631 396 A CB -0.787 18.176 19.000 -0.062 0.000 0.822 396 A HN 0.485 nan 8.150 nan 0.000 0.447 397 E N -0.790 119.285 120.200 -0.208 0.000 2.106 397 E HA -0.143 4.205 4.350 -0.003 0.000 0.192 397 E C 1.817 178.280 176.600 -0.228 0.000 0.984 397 E CA 0.935 57.228 56.400 -0.178 0.000 0.806 397 E CB -0.224 29.383 29.700 -0.156 0.000 0.750 397 E HN 0.403 nan 8.360 nan 0.000 0.458 398 L N 0.773 121.749 121.223 -0.410 0.000 2.093 398 L HA -0.124 4.215 4.340 -0.003 0.000 0.208 398 L C 2.314 179.096 176.870 -0.147 0.000 1.085 398 L CA 1.768 56.405 54.840 -0.338 0.000 0.755 398 L CB -0.844 40.858 42.059 -0.596 0.000 0.904 398 L HN 0.100 nan 8.230 nan 0.000 0.435 399 T N -1.266 113.201 114.554 -0.146 0.000 2.777 399 T HA -0.190 4.159 4.350 -0.003 0.000 0.266 399 T C 2.062 176.667 174.700 -0.158 0.000 1.040 399 T CA 1.277 63.316 62.100 -0.102 0.000 1.141 399 T CB -0.084 68.759 68.868 -0.041 0.000 0.868 399 T HN 0.253 nan 8.240 nan 0.000 0.444 400 R N 0.919 121.365 120.500 -0.090 0.000 2.093 400 R HA 0.119 4.457 4.340 -0.003 0.000 0.224 400 R C 2.558 178.793 176.300 -0.109 0.000 1.101 400 R CA 1.075 57.145 56.100 -0.051 0.000 0.979 400 R CB -0.385 29.953 30.300 0.063 0.000 0.877 400 R HN 0.335 nan 8.270 nan 0.000 0.441 401 A N 1.227 123.985 122.820 -0.104 0.000 2.070 401 A HA -0.179 4.139 4.320 -0.003 0.000 0.220 401 A C 2.099 179.555 177.584 -0.214 0.000 1.159 401 A CA 1.394 53.348 52.037 -0.138 0.000 0.656 401 A CB -0.486 18.489 19.000 -0.041 0.000 0.800 401 A HN 0.419 nan 8.150 nan 0.000 0.453 402 R N -1.487 118.915 120.500 -0.165 0.000 2.254 402 R HA 0.127 4.465 4.340 -0.003 0.000 0.195 402 R C 0.948 177.120 176.300 -0.214 0.000 0.957 402 R CA 0.563 56.578 56.100 -0.142 0.000 1.024 402 R CB -0.032 30.224 30.300 -0.073 0.000 0.952 402 R HN 0.347 nan 8.270 nan 0.000 0.484 403 M N 0.348 119.771 119.600 -0.294 0.000 2.428 403 M HA 0.072 4.550 4.480 -0.003 0.000 0.239 403 M C 0.938 177.113 176.300 -0.208 0.000 1.121 403 M CA 0.180 55.293 55.300 -0.312 0.000 1.019 403 M CB 0.264 32.548 32.600 -0.527 0.000 1.485 403 M HN 0.120 nan 8.290 nan 0.000 0.484 404 L N -0.758 120.287 121.223 -0.296 0.000 2.291 404 L HA 0.029 4.368 4.340 -0.003 0.000 0.214 404 L C 0.251 177.030 176.870 -0.152 0.000 1.120 404 L CA 1.232 55.877 54.840 -0.326 0.000 0.799 404 L CB -0.585 41.057 42.059 -0.695 0.000 0.925 404 L HN 0.188 nan 8.230 nan 0.000 0.446 405 Y N -2.545 117.760 120.300 0.009 0.000 2.638 405 Y HA 0.443 4.992 4.550 -0.003 0.000 0.339 405 Y C -2.146 173.698 175.900 -0.093 0.000 1.084 405 Y CA -2.952 55.144 58.100 -0.007 0.000 1.068 405 Y CB 0.659 39.122 38.460 0.005 0.000 1.294 405 Y HN -0.276 nan 8.280 nan 0.000 0.480 406 P HA 0.056 nan 4.420 nan 0.000 0.269 406 P C 0.020 177.176 177.300 -0.240 0.000 1.209 406 P CA 0.134 62.936 63.100 -0.497 0.000 0.776 406 P CB 0.699 31.942 31.700 -0.762 0.000 0.876 407 E N 1.578 121.693 120.200 -0.141 0.000 2.136 407 E HA -0.355 3.993 4.350 -0.003 0.000 0.208 407 E C 1.525 177.978 176.600 -0.245 0.000 1.035 407 E CA 1.623 57.960 56.400 -0.105 0.000 0.838 407 E CB -0.565 29.123 29.700 -0.020 0.000 0.748 407 E HN 0.509 nan 8.360 nan 0.000 0.459 408 Q N 0.643 120.200 119.800 -0.406 0.000 2.152 408 Q HA -0.157 4.182 4.340 -0.003 0.000 0.206 408 Q C 2.136 177.694 176.000 -0.736 0.000 0.985 408 Q CA 1.968 57.372 55.803 -0.665 0.000 0.863 408 Q CB -0.357 27.759 28.738 -1.037 0.000 0.904 408 Q HN 0.429 nan 8.270 nan 0.000 0.422 409 A N 0.383 122.830 122.820 -0.621 0.000 1.874 409 A HA 0.078 4.396 4.320 -0.003 0.000 0.214 409 A C 2.253 179.720 177.584 -0.194 0.000 1.189 409 A CA 1.362 53.186 52.037 -0.355 0.000 0.615 409 A CB -0.920 17.999 19.000 -0.133 0.000 0.830 409 A HN 0.365 nan 8.150 nan 0.000 0.443 410 A N 0.446 123.206 122.820 -0.101 0.000 1.898 410 A HA -0.160 4.158 4.320 -0.003 0.000 0.216 410 A C 2.111 179.622 177.584 -0.122 0.000 1.181 410 A CA 1.910 53.931 52.037 -0.026 0.000 0.620 410 A CB -0.695 18.308 19.000 0.004 0.000 0.819 410 A HN 0.687 nan 8.150 nan 0.000 0.442 411 Q N -0.452 119.246 119.800 -0.170 0.000 2.368 411 Q HA 0.079 4.417 4.340 -0.003 0.000 0.210 411 Q C 1.212 177.105 176.000 -0.179 0.000 0.982 411 Q CA 1.831 57.523 55.803 -0.185 0.000 0.884 411 Q CB -0.861 27.767 28.738 -0.183 0.000 0.933 411 Q HN 0.404 nan 8.270 nan 0.000 0.460 412 G N -0.130 108.568 108.800 -0.170 0.000 3.377 412 G HA2 0.317 4.276 3.960 -0.003 0.000 0.257 412 G HA3 0.317 4.276 3.960 -0.003 0.000 0.257 412 G C -0.226 174.659 174.900 -0.025 0.000 1.038 412 G CA -0.556 44.470 45.100 -0.123 0.000 0.809 412 G HN 0.196 nan 8.290 nan 0.000 0.526 413 L N 0.740 121.932 121.223 -0.052 0.000 2.456 413 L HA 0.209 4.547 4.340 -0.003 0.000 0.272 413 L C -0.053 176.876 176.870 0.098 0.000 1.189 413 L CA -0.808 54.027 54.840 -0.009 0.000 0.846 413 L CB 0.611 42.656 42.059 -0.024 0.000 1.111 413 L HN 0.107 nan 8.230 nan 0.000 0.475 414 W N 3.249 124.385 121.300 -0.273 0.000 2.497 414 W HA 0.176 4.834 4.660 -0.003 0.000 0.354 414 W C 0.014 176.293 176.519 -0.401 0.000 1.111 414 W CA -0.996 56.166 57.345 -0.306 0.000 1.510 414 W CB -0.635 28.660 29.460 -0.276 0.000 1.466 414 W HN 0.354 nan 8.180 nan 0.000 0.409 415 N N 5.087 123.552 118.700 -0.392 0.000 2.415 415 N HA 0.151 4.890 4.740 -0.003 0.000 0.250 415 N C -0.154 175.041 175.510 -0.526 0.000 1.127 415 N CA -0.079 52.441 53.050 -0.883 0.000 0.945 415 N CB 0.427 37.889 38.487 -1.709 0.000 1.196 415 N HN 0.390 nan 8.380 nan 0.000 0.499 416 L N -0.922 120.158 121.223 -0.238 0.000 2.334 416 L HA 0.551 4.889 4.340 -0.003 0.000 0.270 416 L C 0.280 177.190 176.870 0.068 0.000 1.018 416 L CA -0.813 53.963 54.840 -0.107 0.000 0.811 416 L CB 1.362 43.288 42.059 -0.222 0.000 1.271 416 L HN 0.247 nan 8.230 nan 0.000 0.443 417 L N 0.279 121.506 121.223 0.007 0.000 2.515 417 L HA 0.238 4.577 4.340 -0.003 0.000 0.223 417 L C -0.494 176.451 176.870 0.125 0.000 1.079 417 L CA 0.288 55.095 54.840 -0.054 0.000 0.857 417 L CB 0.013 41.905 42.059 -0.277 0.000 1.050 417 L HN 0.917 nan 8.230 nan 0.000 0.476 418 D N -2.433 118.000 120.400 0.055 0.000 2.827 418 D HA 0.363 5.001 4.640 -0.003 0.000 0.336 418 D C -0.683 175.495 176.300 -0.204 0.000 1.374 418 D CA -0.256 53.754 54.000 0.017 0.000 0.794 418 D CB 0.837 41.692 40.800 0.092 0.000 1.364 418 D HN -0.067 nan 8.370 nan 0.000 0.464 419 S N -2.224 113.257 115.700 -0.364 0.000 2.800 419 S HA 0.355 4.823 4.470 -0.003 0.000 0.293 419 S C 0.516 174.736 174.600 -0.634 0.000 1.209 419 S CA -0.436 57.429 58.200 -0.558 0.000 0.884 419 S CB 0.421 63.671 63.200 0.083 0.000 1.244 419 S HN 0.899 nan 8.310 nan 0.000 0.540 420 H N 0.354 119.279 119.070 -0.241 0.000 2.563 420 H HA 0.218 4.773 4.556 -0.003 0.000 0.272 420 H C -0.449 174.938 175.328 0.099 0.000 1.005 420 H CA 0.905 57.005 56.048 0.087 0.000 1.171 420 H CB -0.666 29.310 29.762 0.356 0.000 1.351 420 H HN 0.532 nan 8.280 nan 0.000 0.602 421 D N 1.240 121.507 120.400 -0.222 0.000 2.424 421 D HA 0.094 4.732 4.640 -0.003 0.000 0.220 421 D C 0.672 177.038 176.300 0.110 0.000 1.150 421 D CA 0.402 54.370 54.000 -0.055 0.000 0.831 421 D CB 0.831 41.654 40.800 0.039 0.000 0.981 421 D HN 0.575 nan 8.370 nan 0.000 0.500 422 T N -2.652 111.945 114.554 0.072 0.000 2.778 422 T HA 0.447 4.795 4.350 -0.003 0.000 0.293 422 T C -0.385 174.357 174.700 0.070 0.000 1.144 422 T CA -0.997 61.177 62.100 0.123 0.000 1.010 422 T CB 2.275 71.251 68.868 0.180 0.000 1.325 422 T HN -0.002 nan 8.240 nan 0.000 0.515 423 E N 0.548 120.802 120.200 0.089 0.000 2.349 423 E HA 0.391 4.739 4.350 -0.003 0.000 0.262 423 E C -0.361 176.301 176.600 0.104 0.000 1.088 423 E CA -1.108 55.336 56.400 0.072 0.000 0.899 423 E CB 0.721 30.452 29.700 0.052 0.000 1.044 423 E HN 0.383 nan 8.360 nan 0.000 0.420 424 R N 1.304 121.867 120.500 0.105 0.000 2.489 424 R HA 0.016 4.354 4.340 -0.003 0.000 0.287 424 R C 0.627 177.058 176.300 0.219 0.000 1.053 424 R CA -0.044 56.160 56.100 0.174 0.000 1.036 424 R CB 0.024 30.389 30.300 0.108 0.000 0.966 424 R HN 0.687 nan 8.270 nan 0.000 0.432 425 F N 2.442 122.510 119.950 0.197 0.000 2.141 425 F HA -0.321 4.205 4.527 -0.002 0.000 0.300 425 F C 2.026 177.973 175.800 0.244 0.000 1.079 425 F CA 1.802 59.963 58.000 0.268 0.000 1.264 425 F CB -0.105 39.152 39.000 0.428 0.000 1.011 425 F HN 0.513 nan 8.300 nan 0.000 0.487 426 L N -0.315 121.021 121.223 0.188 0.000 2.079 426 L HA -0.196 4.142 4.340 -0.003 0.000 0.210 426 L C 2.200 178.997 176.870 -0.121 0.000 1.081 426 L CA 2.464 57.216 54.840 -0.147 0.000 0.752 426 L CB -1.249 40.534 42.059 -0.461 0.000 0.896 426 L HN 0.134 nan 8.230 nan 0.000 0.433 427 T N -1.128 113.375 114.554 -0.085 0.000 2.737 427 T HA -0.120 4.229 4.350 -0.003 0.000 0.265 427 T C 1.941 176.573 174.700 -0.113 0.000 1.038 427 T CA 1.481 63.532 62.100 -0.082 0.000 1.144 427 T CB -0.335 68.507 68.868 -0.043 0.000 0.866 427 T HN 0.397 nan 8.240 nan 0.000 0.434 428 S N 0.658 116.268 115.700 -0.149 0.000 2.407 428 S HA -0.149 4.319 4.470 -0.003 0.000 0.235 428 S C 2.004 176.438 174.600 -0.277 0.000 1.036 428 S CA 0.876 58.939 58.200 -0.229 0.000 1.013 428 S CB -0.604 62.367 63.200 -0.381 0.000 0.820 428 S HN 0.558 nan 8.310 nan 0.000 0.476 429 C N 1.385 120.505 119.300 -0.300 0.000 2.573 429 C HA 0.392 4.850 4.460 -0.003 0.000 0.273 429 C C 1.807 176.714 174.990 -0.137 0.000 1.346 429 C CA -0.330 58.554 59.018 -0.222 0.000 1.702 429 C CB -1.768 25.884 27.740 -0.147 0.000 1.751 429 C HN 0.744 nan 8.230 nan 0.000 0.583 430 G N 0.703 109.432 108.800 -0.119 0.000 2.366 430 G HA2 -0.016 3.942 3.960 -0.003 0.000 0.299 430 G HA3 -0.016 3.942 3.960 -0.003 0.000 0.299 430 G C 0.960 175.807 174.900 -0.089 0.000 1.020 430 G CA 0.455 45.502 45.100 -0.089 0.000 1.026 430 G HN 1.440 nan 8.290 nan 0.000 0.512 431 G N -0.754 107.986 108.800 -0.101 0.000 2.212 431 G HA2 -0.387 3.571 3.960 -0.003 0.000 0.267 431 G HA3 -0.387 3.571 3.960 -0.003 0.000 0.267 431 G C 0.454 175.293 174.900 -0.101 0.000 1.002 431 G CA 0.755 45.791 45.100 -0.107 0.000 0.729 431 G HN 1.399 nan 8.290 nan 0.000 0.517 432 N N 0.773 119.414 118.700 -0.098 0.000 2.448 432 N HA 0.179 4.918 4.740 -0.003 0.000 0.250 432 N C 1.347 176.813 175.510 -0.074 0.000 1.136 432 N CA 0.582 53.566 53.050 -0.110 0.000 0.953 432 N CB 0.541 38.934 38.487 -0.157 0.000 1.251 432 N HN 0.666 nan 8.380 nan 0.000 0.502 433 E N 3.678 123.843 120.200 -0.058 0.000 2.118 433 E HA -0.200 4.148 4.350 -0.003 0.000 0.195 433 E C 1.377 177.999 176.600 0.036 0.000 0.992 433 E CA 1.475 57.886 56.400 0.019 0.000 0.804 433 E CB 0.057 29.752 29.700 -0.008 0.000 0.741 433 E HN 0.627 nan 8.360 nan 0.000 0.458 434 A N 1.113 123.873 122.820 -0.100 0.000 1.930 434 A HA -0.167 4.151 4.320 -0.003 0.000 0.217 434 A C 2.027 179.497 177.584 -0.190 0.000 1.175 434 A CA 1.545 53.495 52.037 -0.145 0.000 0.627 434 A CB -0.326 18.566 19.000 -0.181 0.000 0.815 434 A HN 0.199 nan 8.150 nan 0.000 0.443 435 K N -1.537 118.674 120.400 -0.315 0.000 2.057 435 K HA -0.095 4.223 4.320 -0.003 0.000 0.206 435 K C 1.793 178.476 176.600 0.137 0.000 1.050 435 K CA 1.394 57.593 56.287 -0.147 0.000 0.935 435 K CB -0.370 32.032 32.500 -0.164 0.000 0.715 435 K HN 0.461 nan 8.250 nan 0.000 0.439 436 F N 2.580 122.554 119.950 0.041 0.000 2.095 436 F HA -0.209 4.316 4.527 -0.003 0.000 0.298 436 F C 2.328 178.196 175.800 0.113 0.000 1.104 436 F CA 1.519 59.625 58.000 0.177 0.000 1.232 436 F CB -0.108 38.991 39.000 0.166 0.000 0.987 436 F HN -0.129 nan 8.300 nan 0.000 0.475 437 R N 0.007 120.617 120.500 0.183 0.000 2.103 437 R HA -0.207 4.132 4.340 -0.003 0.000 0.242 437 R C 2.421 178.754 176.300 0.054 0.000 1.142 437 R CA 1.846 57.997 56.100 0.085 0.000 0.960 437 R CB -0.789 29.406 30.300 -0.174 0.000 0.858 437 R HN 0.386 nan 8.270 nan 0.000 0.439 438 L N -0.045 121.188 121.223 0.017 0.000 2.046 438 L HA -0.165 4.173 4.340 -0.003 0.000 0.208 438 L C 2.411 179.029 176.870 -0.421 0.000 1.077 438 L CA 1.338 56.178 54.840 -0.001 0.000 0.747 438 L CB -0.457 41.724 42.059 0.205 0.000 0.896 438 L HN 0.299 nan 8.230 nan 0.000 0.432 439 A N -0.891 121.521 122.820 -0.681 0.000 1.972 439 A HA -0.161 4.158 4.320 -0.003 0.000 0.219 439 A C 2.159 179.446 177.584 -0.495 0.000 1.169 439 A CA 1.741 53.212 52.037 -0.944 0.000 0.635 439 A CB -0.624 17.987 19.000 -0.648 0.000 0.810 439 A HN 0.304 nan 8.150 nan 0.000 0.446 440 V N -0.528 119.118 119.914 -0.447 0.000 2.488 440 V HA -0.159 3.960 4.120 -0.003 0.000 0.246 440 V C 2.410 178.320 176.094 -0.306 0.000 1.046 440 V CA 1.531 63.562 62.300 -0.449 0.000 1.053 440 V CB -0.596 30.859 31.823 -0.613 0.000 0.679 440 V HN 0.617 nan 8.190 nan 0.000 0.458 441 L N -0.745 120.405 121.223 -0.122 0.000 2.017 441 L HA -0.209 4.129 4.340 -0.003 0.000 0.208 441 L C 2.300 179.234 176.870 0.107 0.000 1.073 441 L CA 2.082 56.914 54.840 -0.013 0.000 0.745 441 L CB -0.354 41.811 42.059 0.176 0.000 0.894 441 L HN 0.366 nan 8.230 nan 0.000 0.432 442 F N 0.174 120.126 119.950 0.004 0.000 2.046 442 F HA -0.352 4.173 4.527 -0.003 0.000 0.297 442 F C 2.737 178.677 175.800 0.233 0.000 1.123 442 F CA 2.121 60.239 58.000 0.197 0.000 1.199 442 F CB -0.296 38.788 39.000 0.140 0.000 0.972 442 F HN 0.182 nan 8.300 nan 0.000 0.474 443 Q N -0.271 119.513 119.800 -0.025 0.000 2.133 443 Q HA -0.295 4.043 4.340 -0.003 0.000 0.208 443 Q C 1.955 177.843 176.000 -0.185 0.000 0.991 443 Q CA 2.071 57.842 55.803 -0.054 0.000 0.867 443 Q CB -0.201 28.520 28.738 -0.028 0.000 0.911 443 Q HN 0.416 nan 8.270 nan 0.000 0.417 444 M N -0.269 119.226 119.600 -0.174 0.000 2.558 444 M HA -0.025 4.453 4.480 -0.003 0.000 0.255 444 M C 1.446 177.672 176.300 -0.124 0.000 1.113 444 M CA 1.324 56.507 55.300 -0.196 0.000 1.097 444 M CB 0.184 32.616 32.600 -0.280 0.000 1.426 444 M HN 0.385 nan 8.290 nan 0.000 0.488 445 T N -4.188 110.353 114.554 -0.021 0.000 3.043 445 T HA 0.151 4.500 4.350 -0.003 0.000 0.272 445 T C 0.277 175.089 174.700 0.186 0.000 0.990 445 T CA -0.390 61.769 62.100 0.098 0.000 0.897 445 T CB -0.197 68.807 68.868 0.226 0.000 1.111 445 T HN 0.127 nan 8.240 nan 0.000 0.529 446 Y N 1.778 121.971 120.300 -0.179 0.000 2.340 446 Y HA 0.614 5.162 4.550 -0.002 0.000 0.327 446 Y C 0.040 175.793 175.900 -0.245 0.000 1.321 446 Y CA -2.372 55.514 58.100 -0.357 0.000 1.433 446 Y CB 0.577 38.493 38.460 -0.907 0.000 1.373 446 Y HN 0.146 nan 8.280 nan 0.000 0.538 447 L N 3.004 123.487 121.223 -1.233 0.000 2.360 447 L HA 0.521 4.859 4.340 -0.003 0.000 0.276 447 L C 0.176 176.717 176.870 -0.549 0.000 1.121 447 L CA 1.353 55.709 54.840 -0.807 0.000 0.845 447 L CB -0.217 41.295 42.059 -0.912 0.000 1.143 447 L HN 0.893 nan 8.230 nan 0.000 0.452 448 G N 2.909 111.505 108.800 -0.341 0.000 2.270 448 G HA2 0.038 3.996 3.960 -0.003 0.000 0.268 448 G HA3 0.038 3.996 3.960 -0.003 0.000 0.268 448 G C -0.893 173.865 174.900 -0.237 0.000 1.312 448 G CA -0.365 44.579 45.100 -0.261 0.000 1.050 448 G HN 0.638 nan 8.290 nan 0.000 0.474 449 T N 3.113 117.528 114.554 -0.232 0.000 2.847 449 T HA 0.668 5.016 4.350 -0.003 0.000 0.291 449 T C -2.816 171.675 174.700 -0.349 0.000 0.998 449 T CA -0.661 61.287 62.100 -0.252 0.000 0.967 449 T CB 2.255 70.993 68.868 -0.216 0.000 0.954 449 T HN 0.410 nan 8.240 nan 0.000 0.441 450 P HA 0.238 nan 4.420 nan 0.000 0.275 450 P C -0.882 176.210 177.300 -0.346 0.000 1.227 450 P CA -0.662 62.249 63.100 -0.315 0.000 0.781 450 P CB 0.637 32.201 31.700 -0.228 0.000 0.906 451 L N 5.122 126.167 121.223 -0.298 0.000 2.366 451 L HA 0.423 4.762 4.340 -0.003 0.000 0.266 451 L C -0.693 176.112 176.870 -0.108 0.000 1.010 451 L CA -0.705 53.974 54.840 -0.269 0.000 0.879 451 L CB 0.167 42.092 42.059 -0.223 0.000 1.228 451 L HN 0.336 nan 8.230 nan 0.000 0.439 452 I N 4.180 124.708 120.570 -0.070 0.000 2.529 452 I HA 0.073 4.242 4.170 -0.003 0.000 0.284 452 I C -0.529 175.508 176.117 -0.134 0.000 1.082 452 I CA -0.225 61.060 61.300 -0.024 0.000 1.406 452 I CB 0.687 38.712 38.000 0.043 0.000 1.405 452 I HN 0.432 nan 8.210 nan 0.000 0.548 453 Y N 7.778 127.968 120.300 -0.183 0.000 2.326 453 Y HA 0.277 4.826 4.550 -0.003 0.000 0.337 453 Y C -0.162 175.550 175.900 -0.314 0.000 1.023 453 Y CA -1.677 56.314 58.100 -0.181 0.000 1.143 453 Y CB 0.443 38.880 38.460 -0.038 0.000 1.183 453 Y HN 0.459 nan 8.280 nan 0.000 0.485 454 Y N 4.520 124.272 120.300 -0.913 0.000 2.904 454 Y HA 0.326 4.874 4.550 -0.003 0.000 0.336 454 Y C 1.078 176.746 175.900 -0.387 0.000 1.263 454 Y CA 0.364 58.085 58.100 -0.632 0.000 1.547 454 Y CB 0.121 38.439 38.460 -0.236 0.000 1.272 454 Y HN 0.954 nan 8.280 nan 0.000 0.596 455 G N 2.727 111.381 108.800 -0.244 0.000 2.317 455 G HA2 -0.372 3.586 3.960 -0.003 0.000 0.227 455 G HA3 -0.372 3.586 3.960 -0.003 0.000 0.227 455 G C 0.713 175.494 174.900 -0.199 0.000 1.042 455 G CA 0.361 45.252 45.100 -0.349 0.000 0.623 455 G HN 0.625 nan 8.290 nan 0.000 0.509 456 D N 1.466 121.787 120.400 -0.131 0.000 2.182 456 D HA -0.035 4.603 4.640 -0.003 0.000 0.201 456 D C 2.436 178.792 176.300 0.094 0.000 0.986 456 D CA 1.489 55.554 54.000 0.108 0.000 0.847 456 D CB -0.162 40.885 40.800 0.411 0.000 0.942 456 D HN 0.741 nan 8.370 nan 0.000 0.467 457 E N 1.179 121.291 120.200 -0.147 0.000 2.418 457 E HA -0.133 4.215 4.350 -0.003 0.000 0.197 457 E C 1.638 178.272 176.600 0.057 0.000 1.026 457 E CA 0.595 56.723 56.400 -0.453 0.000 0.862 457 E CB -0.336 28.994 29.700 -0.618 0.000 0.799 457 E HN 0.533 nan 8.360 nan 0.000 0.518 458 I N -4.822 115.784 120.570 0.060 0.000 4.050 458 I HA 0.609 4.777 4.170 -0.003 0.000 0.327 458 I C 1.087 177.191 176.117 -0.023 0.000 1.473 458 I CA -0.105 61.217 61.300 0.037 0.000 1.124 458 I CB 1.174 39.133 38.000 -0.068 0.000 1.129 458 I HN 0.050 nan 8.210 nan 0.000 0.428 459 G N 1.355 110.132 108.800 -0.038 0.000 2.211 459 G HA2 -0.174 3.785 3.960 -0.003 0.000 0.201 459 G HA3 -0.174 3.785 3.960 -0.003 0.000 0.201 459 G C 0.210 175.016 174.900 -0.156 0.000 0.997 459 G CA -0.276 44.766 45.100 -0.097 0.000 0.652 459 G HN 0.258 nan 8.290 nan 0.000 0.500 460 M N 1.156 120.660 119.600 -0.160 0.000 2.252 460 M HA 0.457 4.935 4.480 -0.003 0.000 0.321 460 M C 0.802 177.004 176.300 -0.162 0.000 1.070 460 M CA 1.211 56.406 55.300 -0.175 0.000 1.143 460 M CB 0.740 33.201 32.600 -0.230 0.000 1.498 460 M HN 0.591 nan 8.290 nan 0.000 0.445 461 A N 1.352 124.091 122.820 -0.135 0.000 2.389 461 A HA 1.035 5.354 4.320 -0.003 0.000 0.293 461 A C -0.257 177.285 177.584 -0.070 0.000 1.186 461 A CA -0.227 51.749 52.037 -0.101 0.000 0.828 461 A CB 1.859 20.795 19.000 -0.107 0.000 1.369 461 A HN 0.937 nan 8.150 nan 0.000 0.446 462 G N -1.879 106.897 108.800 -0.040 0.000 2.405 462 G HA2 0.655 4.613 3.960 -0.003 0.000 0.303 462 G HA3 0.655 4.613 3.960 -0.003 0.000 0.303 462 G C -0.496 174.402 174.900 -0.004 0.000 1.644 462 G CA 0.248 45.334 45.100 -0.023 0.000 0.899 462 G HN 1.676 nan 8.290 nan 0.000 0.667 463 A N 0.755 123.573 122.820 -0.003 0.000 2.250 463 A HA 0.890 5.208 4.320 -0.003 0.000 0.283 463 A C 1.223 178.821 177.584 0.024 0.000 1.206 463 A CA 0.659 52.702 52.037 0.010 0.000 0.840 463 A CB 0.424 19.428 19.000 0.007 0.000 1.220 463 A HN 1.731 nan 8.150 nan 0.000 0.505 464 T N -0.733 113.840 114.554 0.032 0.000 2.640 464 T HA 0.123 4.471 4.350 -0.003 0.000 0.316 464 T C 0.306 175.025 174.700 0.032 0.000 1.036 464 T CA 0.346 62.469 62.100 0.039 0.000 1.009 464 T CB -0.092 68.803 68.868 0.046 0.000 1.017 464 T HN 0.738 nan 8.240 nan 0.000 0.530 465 D N 1.163 121.577 120.400 0.023 0.000 2.586 465 D HA 0.015 4.654 4.640 -0.003 0.000 0.234 465 D C -1.448 174.857 176.300 0.008 0.000 1.132 465 D CA -1.372 52.623 54.000 -0.009 0.000 0.860 465 D CB 0.996 41.782 40.800 -0.023 0.000 1.159 465 D HN 0.316 nan 8.370 nan 0.000 0.490 466 P HA 0.077 nan 4.420 nan 0.000 0.261 466 P C 0.546 177.818 177.300 -0.045 0.000 1.268 466 P CA -0.076 62.970 63.100 -0.091 0.000 0.833 466 P CB 0.525 32.130 31.700 -0.159 0.000 1.231 467 D N 0.421 120.814 120.400 -0.012 0.000 2.264 467 D HA -0.117 4.521 4.640 -0.003 0.000 0.208 467 D C 1.541 177.826 176.300 -0.026 0.000 0.966 467 D CA 0.793 54.781 54.000 -0.020 0.000 0.864 467 D CB -0.474 40.324 40.800 -0.004 0.000 0.933 467 D HN 0.200 nan 8.370 nan 0.000 0.499 468 C N -0.555 118.749 119.300 0.007 0.000 2.500 468 C HA 0.224 4.682 4.460 -0.003 0.000 0.273 468 C C 1.717 176.755 174.990 0.080 0.000 1.428 468 C CA -0.455 58.604 59.018 0.068 0.000 1.766 468 C CB -1.221 26.581 27.740 0.105 0.000 1.817 468 C HN 0.070 nan 8.230 nan 0.000 0.543 469 R N 1.345 121.823 120.500 -0.036 0.000 2.555 469 R HA 0.198 4.536 4.340 -0.003 0.000 0.272 469 R C 0.144 176.338 176.300 -0.176 0.000 1.089 469 R CA -0.197 55.815 56.100 -0.147 0.000 1.126 469 R CB -0.206 29.839 30.300 -0.425 0.000 1.250 469 R HN 0.615 nan 8.270 nan 0.000 0.551 470 R N 1.734 122.124 120.500 -0.183 0.000 2.698 470 R HA 0.060 4.398 4.340 -0.003 0.000 0.266 470 R C -2.259 173.798 176.300 -0.406 0.000 1.026 470 R CA -1.712 54.192 56.100 -0.326 0.000 1.102 470 R CB -0.419 29.727 30.300 -0.257 0.000 0.978 470 R HN -0.112 nan 8.270 nan 0.000 0.436 471 P HA -0.141 nan 4.420 nan 0.000 0.257 471 P C 0.060 177.125 177.300 -0.392 0.000 1.162 471 P CA 0.251 62.748 63.100 -1.006 0.000 0.762 471 P CB 0.246 30.989 31.700 -1.595 0.000 0.753 472 M N 5.044 124.623 119.600 -0.034 0.000 2.243 472 M HA -0.078 4.401 4.480 -0.003 0.000 0.365 472 M C -0.418 175.729 176.300 -0.255 0.000 1.327 472 M CA 0.925 56.162 55.300 -0.105 0.000 0.918 472 M CB -0.627 31.846 32.600 -0.210 0.000 1.894 472 M HN 0.203 nan 8.290 nan 0.000 0.473 473 I N 6.969 127.296 120.570 -0.404 0.000 2.278 473 I HA 0.003 4.172 4.170 -0.003 0.000 0.296 473 I C -0.208 175.619 176.117 -0.484 0.000 1.121 473 I CA 0.271 61.391 61.300 -0.299 0.000 1.267 473 I CB 0.112 37.982 38.000 -0.216 0.000 1.447 473 I HN 0.876 nan 8.210 nan 0.000 0.509 474 W N 3.274 124.521 121.300 -0.088 0.000 3.139 474 W HA 0.117 4.775 4.660 -0.002 0.000 0.260 474 W C 1.102 177.515 176.519 -0.177 0.000 1.312 474 W CA -0.335 56.876 57.345 -0.223 0.000 1.606 474 W CB 0.427 29.719 29.460 -0.279 0.000 1.118 474 W HN 0.367 nan 8.180 nan 0.000 0.675 475 E N 1.766 122.009 120.200 0.073 0.000 2.129 475 E HA -0.019 4.330 4.350 -0.003 0.000 0.283 475 E C 0.869 177.470 176.600 0.001 0.000 1.080 475 E CA 0.074 56.498 56.400 0.040 0.000 0.867 475 E CB 0.812 30.535 29.700 0.038 0.000 1.056 475 E HN 0.358 nan 8.360 nan 0.000 0.404 476 E N 3.321 123.523 120.200 0.003 0.000 2.086 476 E HA -0.294 4.054 4.350 -0.003 0.000 0.205 476 E C 1.707 178.301 176.600 -0.009 0.000 1.027 476 E CA 1.316 57.710 56.400 -0.010 0.000 0.830 476 E CB 0.002 29.704 29.700 0.002 0.000 0.751 476 E HN 0.418 nan 8.360 nan 0.000 0.456 477 K N 0.579 120.979 120.400 -0.001 0.000 2.107 477 K HA -0.233 4.085 4.320 -0.003 0.000 0.211 477 K C 1.862 178.458 176.600 -0.007 0.000 1.049 477 K CA 1.371 57.658 56.287 0.001 0.000 0.927 477 K CB 0.031 32.533 32.500 0.004 0.000 0.714 477 K HN 0.009 nan 8.250 nan 0.000 0.452 478 E N 0.697 120.888 120.200 -0.014 0.000 2.427 478 E HA -0.027 4.322 4.350 -0.003 0.000 0.196 478 E C 0.175 176.747 176.600 -0.047 0.000 1.028 478 E CA 0.563 56.947 56.400 -0.027 0.000 0.864 478 E CB 0.178 29.863 29.700 -0.025 0.000 0.813 478 E HN 0.429 nan 8.360 nan 0.000 0.514 479 Q N 0.384 120.156 119.800 -0.047 0.000 2.235 479 Q HA 0.199 4.537 4.340 -0.003 0.000 0.256 479 Q C 0.015 176.004 176.000 -0.018 0.000 0.951 479 Q CA -0.534 55.232 55.803 -0.062 0.000 0.890 479 Q CB 1.021 29.702 28.738 -0.095 0.000 1.279 479 Q HN -0.137 nan 8.270 nan 0.000 0.444 480 N N 1.825 120.527 118.700 0.004 0.000 3.178 480 N HA 0.006 4.745 4.740 -0.003 0.000 0.300 480 N C 0.390 175.974 175.510 0.122 0.000 1.242 480 N CA 0.151 53.236 53.050 0.058 0.000 1.192 480 N CB 0.134 38.663 38.487 0.070 0.000 1.463 480 N HN 0.425 nan 8.380 nan 0.000 0.539 481 R N 0.419 120.978 120.500 0.098 0.000 2.226 481 R HA -0.094 4.245 4.340 -0.003 0.000 0.246 481 R C 1.865 178.308 176.300 0.239 0.000 1.161 481 R CA 1.353 57.557 56.100 0.173 0.000 0.997 481 R CB -0.743 29.633 30.300 0.125 0.000 0.870 481 R HN 0.530 nan 8.270 nan 0.000 0.465 482 G N -0.484 108.425 108.800 0.181 0.000 2.403 482 G HA2 -0.182 3.777 3.960 -0.003 0.000 0.216 482 G HA3 -0.182 3.777 3.960 -0.003 0.000 0.216 482 G C 1.220 176.270 174.900 0.250 0.000 1.154 482 G CA 0.264 45.470 45.100 0.177 0.000 0.784 482 G HN 0.266 nan 8.290 nan 0.000 0.538 483 L N 0.060 121.457 121.223 0.289 0.000 2.027 483 L HA 0.224 4.563 4.340 -0.003 0.000 0.206 483 L C 2.428 179.640 176.870 0.570 0.000 1.074 483 L CA 1.417 56.515 54.840 0.429 0.000 0.745 483 L CB -1.052 41.247 42.059 0.400 0.000 0.898 483 L HN 0.258 nan 8.230 nan 0.000 0.433 484 F N 0.418 120.527 119.950 0.265 0.000 2.115 484 F HA -0.292 4.233 4.527 -0.003 0.000 0.300 484 F C 2.335 178.267 175.800 0.220 0.000 1.092 484 F CA 1.974 60.090 58.000 0.194 0.000 1.245 484 F CB 0.096 39.172 39.000 0.127 0.000 0.995 484 F HN 0.225 nan 8.300 nan 0.000 0.481 485 E N -0.451 119.916 120.200 0.278 0.000 2.230 485 E HA -0.159 4.189 4.350 -0.003 0.000 0.192 485 E C 1.981 178.660 176.600 0.131 0.000 0.987 485 E CA 0.713 57.183 56.400 0.117 0.000 0.841 485 E CB -0.550 29.255 29.700 0.175 0.000 0.783 485 E HN 0.565 nan 8.360 nan 0.000 0.481 486 F N 0.473 120.472 119.950 0.082 0.000 2.075 486 F HA -0.287 4.238 4.527 -0.003 0.000 0.297 486 F C 2.127 177.934 175.800 0.011 0.000 1.113 486 F CA 1.305 59.336 58.000 0.051 0.000 1.218 486 F CB -0.224 38.832 39.000 0.093 0.000 0.984 486 F HN -0.068 nan 8.300 nan 0.000 0.472 487 Y N 1.215 121.428 120.300 -0.145 0.000 2.081 487 Y HA -0.301 4.247 4.550 -0.003 0.000 0.280 487 Y C 2.473 178.156 175.900 -0.362 0.000 1.163 487 Y CA 2.287 60.207 58.100 -0.300 0.000 1.135 487 Y CB -0.729 37.635 38.460 -0.160 0.000 0.970 487 Y HN -0.005 nan 8.280 nan 0.000 0.498 488 K N -0.197 120.073 120.400 -0.218 0.000 2.074 488 K HA -0.287 4.031 4.320 -0.003 0.000 0.209 488 K C 2.108 178.573 176.600 -0.225 0.000 1.048 488 K CA 1.948 58.059 56.287 -0.293 0.000 0.926 488 K CB -0.250 32.032 32.500 -0.364 0.000 0.713 488 K HN 0.418 nan 8.250 nan 0.000 0.444 489 E N 0.963 121.048 120.200 -0.192 0.000 2.107 489 E HA -0.146 4.202 4.350 -0.003 0.000 0.191 489 E C 2.009 178.462 176.600 -0.244 0.000 0.982 489 E CA 0.617 56.913 56.400 -0.173 0.000 0.809 489 E CB 0.062 29.706 29.700 -0.092 0.000 0.756 489 E HN 0.220 nan 8.360 nan 0.000 0.459 490 L N 0.735 121.737 121.223 -0.368 0.000 2.046 490 L HA -0.202 4.136 4.340 -0.003 0.000 0.208 490 L C 2.533 179.193 176.870 -0.351 0.000 1.077 490 L CA 1.020 55.625 54.840 -0.391 0.000 0.747 490 L CB -0.378 41.343 42.059 -0.564 0.000 0.896 490 L HN 0.250 nan 8.230 nan 0.000 0.432 491 I N -0.694 119.660 120.570 -0.361 0.000 2.361 491 I HA -0.268 3.901 4.170 -0.003 0.000 0.251 491 I C 2.720 178.515 176.117 -0.538 0.000 1.133 491 I CA 1.123 62.150 61.300 -0.455 0.000 1.413 491 I CB -0.311 37.480 38.000 -0.348 0.000 1.073 491 I HN 0.215 nan 8.210 nan 0.000 0.424 492 R N 0.474 120.782 120.500 -0.320 0.000 2.090 492 R HA -0.059 4.279 4.340 -0.003 0.000 0.228 492 R C 2.334 178.506 176.300 -0.213 0.000 1.110 492 R CA 1.041 57.012 56.100 -0.216 0.000 0.973 492 R CB -0.103 30.111 30.300 -0.144 0.000 0.869 492 R HN 0.341 nan 8.270 nan 0.000 0.440 493 L N -0.108 120.977 121.223 -0.229 0.000 2.056 493 L HA -0.155 4.183 4.340 -0.003 0.000 0.207 493 L C 2.685 179.440 176.870 -0.193 0.000 1.078 493 L CA 1.228 55.952 54.840 -0.194 0.000 0.749 493 L CB -0.315 41.642 42.059 -0.170 0.000 0.901 493 L HN 0.151 nan 8.230 nan 0.000 0.433 494 R N -0.863 119.489 120.500 -0.248 0.000 2.105 494 R HA -0.195 4.144 4.340 -0.003 0.000 0.239 494 R C 2.284 178.533 176.300 -0.085 0.000 1.135 494 R CA 1.429 57.411 56.100 -0.197 0.000 0.967 494 R CB -0.130 30.001 30.300 -0.281 0.000 0.861 494 R HN 0.403 nan 8.270 nan 0.000 0.442 495 H N 0.053 119.057 119.070 -0.111 0.000 2.470 495 H HA -0.009 4.546 4.556 -0.003 0.000 0.289 495 H C 1.353 176.616 175.328 -0.108 0.000 1.033 495 H CA 1.479 57.468 56.048 -0.098 0.000 1.331 495 H CB 0.065 29.774 29.762 -0.089 0.000 1.414 495 H HN 0.418 nan 8.280 nan 0.000 0.545 496 R N -0.022 120.455 120.500 -0.037 0.000 2.432 496 R HA 0.283 4.621 4.340 -0.003 0.000 0.260 496 R C -0.397 175.807 176.300 -0.160 0.000 0.935 496 R CA -0.002 56.043 56.100 -0.092 0.000 1.080 496 R CB 0.270 30.501 30.300 -0.115 0.000 1.155 496 R HN 0.019 nan 8.270 nan 0.000 0.531 497 L N 1.364 122.503 121.223 -0.140 0.000 2.345 497 L HA 0.474 4.812 4.340 -0.003 0.000 0.274 497 L C 0.993 177.820 176.870 -0.072 0.000 0.999 497 L CA -0.672 54.075 54.840 -0.156 0.000 0.849 497 L CB 1.934 43.888 42.059 -0.176 0.000 1.220 497 L HN 0.159 nan 8.230 nan 0.000 0.422 498 A N 1.819 124.608 122.820 -0.050 0.000 1.917 498 A HA -0.215 4.103 4.320 -0.003 0.000 0.219 498 A C 2.253 179.825 177.584 -0.020 0.000 1.182 498 A CA 2.355 54.375 52.037 -0.028 0.000 0.633 498 A CB -0.429 18.560 19.000 -0.020 0.000 0.819 498 A HN 0.798 nan 8.150 nan 0.000 0.448 499 S N -0.371 115.329 115.700 -0.001 0.000 2.481 499 S HA 0.028 4.497 4.470 -0.003 0.000 0.231 499 S C 1.699 176.302 174.600 0.004 0.000 0.996 499 S CA 1.165 59.370 58.200 0.008 0.000 0.942 499 S CB -0.558 62.666 63.200 0.040 0.000 0.768 499 S HN 0.473 nan 8.310 nan 0.000 0.520 500 L N 1.744 122.964 121.223 -0.005 0.000 2.179 500 L HA -0.003 4.335 4.340 -0.003 0.000 0.208 500 L C 3.013 179.854 176.870 -0.048 0.000 1.096 500 L CA 1.484 56.317 54.840 -0.013 0.000 0.779 500 L CB -0.908 41.135 42.059 -0.027 0.000 0.922 500 L HN 0.586 nan 8.230 nan 0.000 0.443 501 T N -3.838 110.688 114.554 -0.046 0.000 3.040 501 T HA 0.036 4.384 4.350 -0.003 0.000 0.252 501 T C 1.781 176.435 174.700 -0.077 0.000 1.064 501 T CA 0.144 62.209 62.100 -0.060 0.000 1.110 501 T CB 0.183 69.032 68.868 -0.032 0.000 0.921 501 T HN 0.179 nan 8.240 nan 0.000 0.480 502 R N 0.173 120.635 120.500 -0.063 0.000 2.541 502 R HA 0.391 4.730 4.340 -0.003 0.000 0.332 502 R C 1.029 177.292 176.300 -0.061 0.000 0.951 502 R CA -0.174 55.884 56.100 -0.070 0.000 1.136 502 R CB 1.070 31.334 30.300 -0.059 0.000 1.449 502 R HN 0.426 nan 8.270 nan 0.000 0.531 503 G N 0.497 109.268 108.800 -0.049 0.000 2.580 503 G HA2 0.084 4.043 3.960 -0.003 0.000 0.278 503 G HA3 0.084 4.043 3.960 -0.003 0.000 0.278 503 G C -0.284 174.589 174.900 -0.045 0.000 1.212 503 G CA -0.667 44.414 45.100 -0.031 0.000 0.939 503 G HN 0.370 nan 8.290 nan 0.000 0.513 504 N N -2.539 116.148 118.700 -0.022 0.000 2.405 504 N HA 0.498 5.236 4.740 -0.003 0.000 0.269 504 N C -0.892 174.614 175.510 -0.007 0.000 1.249 504 N CA -0.847 52.185 53.050 -0.030 0.000 0.974 504 N CB 1.449 39.932 38.487 -0.008 0.000 1.204 504 N HN 0.258 nan 8.380 nan 0.000 0.565 505 V N -0.255 119.649 119.914 -0.016 0.000 2.604 505 V HA 0.532 4.651 4.120 -0.003 0.000 0.305 505 V C -0.418 175.737 176.094 0.101 0.000 1.043 505 V CA -0.895 61.439 62.300 0.057 0.000 0.888 505 V CB 1.330 33.147 31.823 -0.011 0.000 0.995 505 V HN 0.674 nan 8.190 nan 0.000 0.429 506 R N 1.677 122.282 120.500 0.176 0.000 2.621 506 R HA 0.588 4.926 4.340 -0.003 0.000 0.292 506 R C -0.412 176.044 176.300 0.260 0.000 0.969 506 R CA -0.678 55.518 56.100 0.161 0.000 0.887 506 R CB 2.105 32.461 30.300 0.093 0.000 1.180 506 R HN 0.730 nan 8.270 nan 0.000 0.450 507 S N 1.373 117.230 115.700 0.261 0.000 2.572 507 S HA 0.098 4.566 4.470 -0.003 0.000 0.279 507 S C 0.155 174.941 174.600 0.310 0.000 1.341 507 S CA -0.244 58.150 58.200 0.323 0.000 1.043 507 S CB 0.686 64.088 63.200 0.338 0.000 0.887 507 S HN 0.680 nan 8.310 nan 0.000 0.516 508 W N 2.262 123.589 121.300 0.044 0.000 3.471 508 W HA 0.281 4.940 4.660 -0.003 0.000 0.230 508 W C 0.319 176.889 176.519 0.086 0.000 1.105 508 W CA 0.587 57.944 57.345 0.020 0.000 1.631 508 W CB 0.050 29.476 29.460 -0.056 0.000 0.848 508 W HN 0.751 nan 8.180 nan 0.000 0.766 509 H N -0.378 118.696 119.070 0.007 0.000 3.085 509 H HA 0.517 5.072 4.556 -0.003 0.000 0.356 509 H C -1.760 173.580 175.328 0.021 0.000 1.178 509 H CA 0.160 56.153 56.048 -0.092 0.000 1.214 509 H CB 1.727 31.275 29.762 -0.356 0.000 1.881 509 H HN -0.086 nan 8.280 nan 0.000 0.538 510 A N 4.044 126.556 122.820 -0.514 0.000 2.604 510 A HA 0.225 4.543 4.320 -0.003 0.000 0.285 510 A C -1.631 175.812 177.584 -0.235 0.000 1.095 510 A CA -0.655 51.318 52.037 -0.106 0.000 0.842 510 A CB 0.818 19.939 19.000 0.201 0.000 1.385 510 A HN 0.568 nan 8.150 nan 0.000 0.404 511 D N 2.858 123.161 120.400 -0.162 0.000 2.441 511 D HA 0.185 4.824 4.640 -0.003 0.000 0.231 511 D C 1.124 177.374 176.300 -0.084 0.000 1.073 511 D CA -0.427 53.502 54.000 -0.118 0.000 0.850 511 D CB 1.243 42.050 40.800 0.011 0.000 1.062 511 D HN 0.567 nan 8.370 nan 0.000 0.524 512 K N 2.762 123.047 120.400 -0.193 0.000 2.362 512 K HA -0.183 4.135 4.320 -0.003 0.000 0.200 512 K C 1.165 177.604 176.600 -0.268 0.000 1.046 512 K CA 0.736 56.776 56.287 -0.411 0.000 0.952 512 K CB 0.287 32.191 32.500 -0.992 0.000 0.753 512 K HN 0.201 nan 8.250 nan 0.000 0.466 513 Q N 1.634 121.340 119.800 -0.157 0.000 1.896 513 Q HA 0.044 4.383 4.340 -0.003 0.000 0.205 513 Q C 2.140 178.102 176.000 -0.063 0.000 0.978 513 Q CA 2.317 58.062 55.803 -0.096 0.000 0.850 513 Q CB -0.760 27.938 28.738 -0.067 0.000 0.908 513 Q HN 0.404 nan 8.270 nan 0.000 0.431 514 A N 0.372 123.171 122.820 -0.035 0.000 2.186 514 A HA -0.151 4.168 4.320 -0.003 0.000 0.219 514 A C 0.693 178.266 177.584 -0.018 0.000 1.159 514 A CA 1.196 53.219 52.037 -0.024 0.000 0.680 514 A CB -0.768 18.230 19.000 -0.004 0.000 0.787 514 A HN 0.704 nan 8.150 nan 0.000 0.467 515 N N -2.141 116.562 118.700 0.005 0.000 2.721 515 N HA -0.149 4.590 4.740 -0.003 0.000 0.249 515 N C -0.518 175.074 175.510 0.136 0.000 1.072 515 N CA 0.865 53.955 53.050 0.066 0.000 0.710 515 N CB -1.585 36.898 38.487 -0.007 0.000 0.993 515 N HN 0.589 nan 8.380 nan 0.000 0.547 516 L N 0.964 122.274 121.223 0.145 0.000 2.313 516 L HA 0.520 4.858 4.340 -0.003 0.000 0.283 516 L C -0.751 176.290 176.870 0.284 0.000 1.013 516 L CA -0.989 53.959 54.840 0.181 0.000 0.816 516 L CB 1.000 43.126 42.059 0.112 0.000 1.236 516 L HN 0.241 nan 8.230 nan 0.000 0.419 517 Y N 4.656 125.059 120.300 0.172 0.000 2.406 517 Y HA 0.749 5.298 4.550 -0.003 0.000 0.340 517 Y C -0.819 175.227 175.900 0.245 0.000 0.975 517 Y CA -0.604 57.600 58.100 0.174 0.000 1.056 517 Y CB 1.772 40.293 38.460 0.102 0.000 1.210 517 Y HN 0.630 nan 8.280 nan 0.000 0.448 518 A N 5.801 128.320 122.820 -0.502 0.000 2.498 518 A HA 0.837 5.156 4.320 -0.003 0.000 0.298 518 A C -1.842 175.581 177.584 -0.269 0.000 1.075 518 A CA -0.535 51.316 52.037 -0.309 0.000 0.714 518 A CB 1.123 19.987 19.000 -0.227 0.000 1.299 518 A HN 0.920 nan 8.150 nan 0.000 0.407 519 F N -0.917 119.027 119.950 -0.011 0.000 2.754 519 F HA 0.879 5.404 4.527 -0.003 0.000 0.320 519 F C -1.384 174.518 175.800 0.170 0.000 1.156 519 F CA -1.309 56.764 58.000 0.122 0.000 0.950 519 F CB 1.265 40.353 39.000 0.147 0.000 1.388 519 F HN 0.419 nan 8.300 nan 0.000 0.485 520 V N 1.944 122.007 119.914 0.249 0.000 2.668 520 V HA 0.526 4.644 4.120 -0.003 0.000 0.304 520 V C -0.975 175.237 176.094 0.197 0.000 1.071 520 V CA -0.812 61.481 62.300 -0.011 0.000 0.894 520 V CB 1.900 33.566 31.823 -0.261 0.000 1.008 520 V HN 0.702 nan 8.190 nan 0.000 0.425 521 R N 2.329 122.931 120.500 0.171 0.000 2.265 521 R HA 0.701 5.039 4.340 -0.003 0.000 0.319 521 R C -0.503 175.865 176.300 0.114 0.000 1.006 521 R CA -0.353 55.844 56.100 0.162 0.000 0.880 521 R CB 1.608 32.001 30.300 0.155 0.000 1.077 521 R HN 0.716 nan 8.270 nan 0.000 0.454 522 T N 1.417 116.022 114.554 0.085 0.000 2.848 522 T HA 0.426 4.774 4.350 -0.003 0.000 0.285 522 T C -0.896 173.792 174.700 -0.020 0.000 0.995 522 T CA -0.582 61.538 62.100 0.034 0.000 0.970 522 T CB 2.130 71.068 68.868 0.117 0.000 0.976 522 T HN 0.230 nan 8.240 nan 0.000 0.441 523 V N 3.792 123.671 119.914 -0.059 0.000 2.686 523 V HA 0.621 4.740 4.120 -0.003 0.000 0.306 523 V C -0.519 175.528 176.094 -0.078 0.000 1.065 523 V CA -0.106 62.163 62.300 -0.052 0.000 0.894 523 V CB 1.641 33.444 31.823 -0.034 0.000 1.004 523 V HN 0.951 nan 8.190 nan 0.000 0.424 524 Q N 3.452 123.211 119.800 -0.068 0.000 1.149 524 Q HA -0.195 4.144 4.340 -0.003 0.000 0.300 524 Q C 0.550 176.477 176.000 -0.122 0.000 1.014 524 Q CA 1.980 57.741 55.803 -0.069 0.000 0.726 524 Q CB -1.043 27.663 28.738 -0.052 0.000 4.217 524 Q HN 0.876 nan 8.270 nan 0.000 0.463 525 D N 0.262 120.586 120.400 -0.127 0.000 2.360 525 D HA -0.003 4.635 4.640 -0.003 0.000 0.210 525 D C 0.093 176.213 176.300 -0.300 0.000 1.047 525 D CA 0.119 54.004 54.000 -0.192 0.000 0.854 525 D CB 0.193 40.929 40.800 -0.106 0.000 0.936 525 D HN 0.271 nan 8.370 nan 0.000 0.514 526 Q N 1.468 121.150 119.800 -0.197 0.000 2.255 526 Q HA -0.031 4.308 4.340 -0.003 0.000 0.280 526 Q C -0.708 175.109 176.000 -0.305 0.000 1.068 526 Q CA 0.417 56.144 55.803 -0.126 0.000 0.911 526 Q CB 0.355 29.148 28.738 0.091 0.000 1.157 526 Q HN 0.169 nan 8.270 nan 0.000 0.380 527 H N 2.496 121.593 119.070 0.045 0.000 2.492 527 H HA 0.419 4.973 4.556 -0.003 0.000 0.345 527 H C -0.923 174.475 175.328 0.117 0.000 1.136 527 H CA -0.621 55.446 56.048 0.033 0.000 1.202 527 H CB 1.737 31.486 29.762 -0.021 0.000 1.524 527 H HN 0.341 nan 8.280 nan 0.000 0.506 528 V N 2.311 122.339 119.914 0.191 0.000 2.409 528 V HA 0.345 4.463 4.120 -0.003 0.000 0.290 528 V C 0.623 176.722 176.094 0.008 0.000 1.017 528 V CA -0.908 61.498 62.300 0.176 0.000 0.841 528 V CB 1.647 33.574 31.823 0.174 0.000 1.003 528 V HN 0.933 nan 8.190 nan 0.000 0.426 529 G N 3.675 112.429 108.800 -0.077 0.000 2.353 529 G HA2 0.558 4.516 3.960 -0.003 0.000 0.284 529 G HA3 0.558 4.516 3.960 -0.003 0.000 0.284 529 G C -0.776 174.079 174.900 -0.075 0.000 1.172 529 G CA -0.282 44.710 45.100 -0.179 0.000 0.854 529 G HN 0.549 nan 8.290 nan 0.000 0.485 530 V N 2.878 122.613 119.914 -0.298 0.000 2.448 530 V HA 0.591 4.709 4.120 -0.003 0.000 0.295 530 V C 0.030 175.998 176.094 -0.209 0.000 1.025 530 V CA -0.802 61.313 62.300 -0.309 0.000 0.859 530 V CB 1.359 32.856 31.823 -0.543 0.000 0.988 530 V HN 0.828 nan 8.190 nan 0.000 0.431 531 V N 5.763 125.652 119.914 -0.041 0.000 2.588 531 V HA 0.759 4.877 4.120 -0.003 0.000 0.304 531 V C -1.127 175.010 176.094 0.073 0.000 1.042 531 V CA -0.562 61.718 62.300 -0.033 0.000 0.877 531 V CB 1.850 33.582 31.823 -0.150 0.000 0.996 531 V HN 0.703 nan 8.190 nan 0.000 0.425 532 L N 5.294 126.607 121.223 0.149 0.000 2.343 532 L HA 0.565 4.903 4.340 -0.003 0.000 0.278 532 L C 0.032 177.021 176.870 0.198 0.000 0.996 532 L CA -0.422 54.575 54.840 0.261 0.000 0.831 532 L CB 1.640 43.989 42.059 0.483 0.000 1.232 532 L HN 0.871 nan 8.230 nan 0.000 0.413 533 N N 2.223 120.996 118.700 0.122 0.000 2.801 533 N HA 0.075 4.814 4.740 -0.003 0.000 0.235 533 N C -0.276 175.218 175.510 -0.027 0.000 1.069 533 N CA -0.422 52.643 53.050 0.025 0.000 0.946 533 N CB 0.516 38.985 38.487 -0.030 0.000 1.212 533 N HN 0.537 nan 8.380 nan 0.000 0.509 534 N N 3.029 121.719 118.700 -0.016 0.000 3.245 534 N HA 0.103 4.842 4.740 -0.003 0.000 0.296 534 N C -1.271 174.043 175.510 -0.326 0.000 1.254 534 N CA 0.017 52.974 53.050 -0.157 0.000 1.190 534 N CB -0.171 38.046 38.487 -0.450 0.000 1.460 534 N HN 0.572 nan 8.380 nan 0.000 0.538 535 R N -0.328 119.838 120.500 -0.557 0.000 2.566 535 R HA 0.366 4.704 4.340 -0.003 0.000 0.271 535 R C -0.263 175.470 176.300 -0.944 0.000 1.071 535 R CA -0.775 54.975 56.100 -0.582 0.000 0.915 535 R CB 0.929 31.055 30.300 -0.290 0.000 1.228 535 R HN 0.296 nan 8.270 nan 0.000 0.449 536 G N 2.870 111.227 108.800 -0.738 0.000 3.180 536 G HA2 0.106 4.064 3.960 -0.003 0.000 0.252 536 G HA3 0.106 4.064 3.960 -0.003 0.000 0.252 536 G C -0.392 174.396 174.900 -0.187 0.000 0.871 536 G CA 0.425 45.298 45.100 -0.379 0.000 1.979 536 G HN 0.367 nan 8.290 nan 0.000 0.624 537 E N 0.163 120.232 120.200 -0.218 0.000 2.388 537 E HA 0.128 4.476 4.350 -0.003 0.000 0.289 537 E C -0.834 175.703 176.600 -0.105 0.000 0.944 537 E CA -0.734 55.592 56.400 -0.122 0.000 0.792 537 E CB 1.484 31.114 29.700 -0.117 0.000 1.239 537 E HN 0.288 nan 8.360 nan 0.000 0.412 538 K N 2.762 123.122 120.400 -0.066 0.000 2.436 538 K HA 0.066 4.384 4.320 -0.003 0.000 0.282 538 K C -0.395 176.169 176.600 -0.060 0.000 1.044 538 K CA 0.600 56.854 56.287 -0.054 0.000 1.028 538 K CB 0.460 32.939 32.500 -0.034 0.000 0.919 538 K HN 0.351 nan 8.250 nan 0.000 0.474 539 Q N 2.133 121.893 119.800 -0.066 0.000 2.413 539 Q HA 0.342 4.680 4.340 -0.003 0.000 0.276 539 Q C -1.146 174.813 176.000 -0.070 0.000 1.099 539 Q CA -1.050 54.713 55.803 -0.068 0.000 0.814 539 Q CB 2.604 31.297 28.738 -0.075 0.000 1.379 539 Q HN 0.491 nan 8.270 nan 0.000 0.436 540 T N 0.989 115.500 114.554 -0.072 0.000 2.812 540 T HA 0.515 4.863 4.350 -0.003 0.000 0.282 540 T C -1.139 173.494 174.700 -0.111 0.000 0.990 540 T CA -0.463 61.586 62.100 -0.085 0.000 0.960 540 T CB 1.515 70.344 68.868 -0.066 0.000 0.948 540 T HN 0.316 nan 8.240 nan 0.000 0.438 541 V N 4.269 124.085 119.914 -0.164 0.000 3.046 541 V HA 0.738 4.857 4.120 -0.003 0.000 0.316 541 V C -1.499 174.432 176.094 -0.272 0.000 1.104 541 V CA -1.021 61.132 62.300 -0.246 0.000 1.006 541 V CB 2.107 33.712 31.823 -0.364 0.000 1.058 541 V HN 0.672 nan 8.190 nan 0.000 0.440 542 L N 5.425 126.450 121.223 -0.329 0.000 2.406 542 L HA 0.575 4.913 4.340 -0.003 0.000 0.270 542 L C -1.388 175.276 176.870 -0.344 0.000 0.982 542 L CA -0.205 54.479 54.840 -0.260 0.000 0.843 542 L CB 1.345 43.319 42.059 -0.142 0.000 1.225 542 L HN 0.606 nan 8.230 nan 0.000 0.412 543 L N 4.018 125.024 121.223 -0.361 0.000 2.329 543 L HA 0.447 4.785 4.340 -0.003 0.000 0.279 543 L C -0.135 176.653 176.870 -0.136 0.000 1.014 543 L CA -0.893 53.675 54.840 -0.453 0.000 0.814 543 L CB 2.121 43.652 42.059 -0.879 0.000 1.257 543 L HN 0.488 nan 8.230 nan 0.000 0.424 544 Q N 2.924 122.730 119.800 0.010 0.000 2.304 544 Q HA 0.359 4.697 4.340 -0.003 0.000 0.260 544 Q C -0.559 175.656 176.000 0.357 0.000 0.965 544 Q CA -0.163 55.746 55.803 0.176 0.000 0.898 544 Q CB 1.628 30.470 28.738 0.173 0.000 1.196 544 Q HN 0.463 nan 8.270 nan 0.000 0.402 545 V N 0.112 120.179 119.914 0.256 0.000 2.722 545 V HA 0.320 4.438 4.120 -0.003 0.000 0.260 545 V C -2.543 173.671 176.094 0.200 0.000 0.941 545 V CA -2.048 60.413 62.300 0.269 0.000 0.888 545 V CB 1.130 33.195 31.823 0.403 0.000 1.059 545 V HN 0.521 nan 8.190 nan 0.000 0.486 546 P HA 0.063 nan 4.420 nan 0.000 0.266 546 P C 0.959 178.309 177.300 0.084 0.000 1.186 546 P CA 0.375 63.527 63.100 0.087 0.000 0.767 546 P CB 0.923 32.655 31.700 0.053 0.000 0.820 547 E N 1.049 121.284 120.200 0.058 0.000 2.333 547 E HA -0.154 4.194 4.350 -0.003 0.000 0.198 547 E C 1.880 178.477 176.600 -0.004 0.000 1.007 547 E CA 1.418 57.834 56.400 0.026 0.000 0.845 547 E CB -0.209 29.500 29.700 0.015 0.000 0.766 547 E HN 0.586 nan 8.360 nan 0.000 0.507 548 S N 0.873 116.579 115.700 0.011 0.000 2.359 548 S HA -0.176 4.292 4.470 -0.003 0.000 0.223 548 S C 2.280 176.885 174.600 0.008 0.000 1.039 548 S CA 1.353 59.557 58.200 0.008 0.000 1.042 548 S CB -1.052 62.160 63.200 0.021 0.000 0.915 548 S HN 0.322 nan 8.310 nan 0.000 0.439 549 G N 1.229 110.037 108.800 0.013 0.000 2.450 549 G HA2 0.376 4.334 3.960 -0.003 0.000 0.220 549 G HA3 0.376 4.334 3.960 -0.003 0.000 0.220 549 G C 0.773 175.635 174.900 -0.064 0.000 1.130 549 G CA 0.494 45.625 45.100 0.050 0.000 0.760 549 G HN 1.495 nan 8.290 nan 0.000 0.557 550 G N -1.847 106.843 108.800 -0.182 0.000 2.316 550 G HA2 0.146 4.104 3.960 -0.003 0.000 0.468 550 G HA3 0.146 4.104 3.960 -0.003 0.000 0.468 550 G C -0.130 174.407 174.900 -0.605 0.000 1.523 550 G CA 0.013 44.849 45.100 -0.440 0.000 0.972 550 G HN 0.122 nan 8.290 nan 0.000 0.667 551 K N -1.014 119.065 120.400 -0.535 0.000 2.353 551 K HA 0.329 4.647 4.320 -0.003 0.000 0.195 551 K C 0.668 176.943 176.600 -0.542 0.000 1.031 551 K CA 0.768 56.822 56.287 -0.388 0.000 1.079 551 K CB 0.540 32.971 32.500 -0.115 0.000 0.857 551 K HN 0.553 nan 8.250 nan 0.000 0.535 552 T N 0.062 114.097 114.554 -0.865 0.000 2.916 552 T HA 0.431 4.779 4.350 -0.003 0.000 0.298 552 T C -1.821 172.415 174.700 -0.774 0.000 1.031 552 T CA -0.723 61.004 62.100 -0.622 0.000 0.993 552 T CB 0.692 69.342 68.868 -0.364 0.000 1.045 552 T HN 0.111 nan 8.240 nan 0.000 0.454 553 W N 3.332 124.504 121.300 -0.212 0.000 3.032 553 W HA 0.663 5.322 4.660 -0.002 0.000 0.341 553 W C -1.276 175.188 176.519 -0.092 0.000 1.202 553 W CA -0.930 56.329 57.345 -0.144 0.000 1.132 553 W CB 1.962 31.389 29.460 -0.055 0.000 1.465 553 W HN 0.485 nan 8.180 nan 0.000 0.576 554 L N 2.499 123.880 121.223 0.263 0.000 2.372 554 L HA 0.289 4.627 4.340 -0.003 0.000 0.274 554 L C -0.463 176.554 176.870 0.246 0.000 0.988 554 L CA -0.118 54.859 54.840 0.229 0.000 0.833 554 L CB 0.897 43.128 42.059 0.287 0.000 1.236 554 L HN 0.219 nan 8.230 nan 0.000 0.410 555 D N 3.670 124.172 120.400 0.170 0.000 2.338 555 D HA 0.062 4.700 4.640 -0.003 0.000 0.255 555 D C 0.689 177.064 176.300 0.126 0.000 1.237 555 D CA -0.019 54.063 54.000 0.136 0.000 0.883 555 D CB 1.068 41.926 40.800 0.097 0.000 1.087 555 D HN 0.714 nan 8.370 nan 0.000 0.485 556 C N 3.693 123.065 119.300 0.120 0.000 2.500 556 C HA 0.051 4.510 4.460 -0.003 0.000 0.273 556 C C 2.517 177.541 174.990 0.056 0.000 1.428 556 C CA -0.162 58.904 59.018 0.082 0.000 1.766 556 C CB -1.012 26.752 27.740 0.040 0.000 1.817 556 C HN 0.684 nan 8.230 nan 0.000 0.543 557 L N 0.875 122.141 121.223 0.071 0.000 2.270 557 L HA -0.019 4.319 4.340 -0.003 0.000 0.210 557 L C 2.497 179.413 176.870 0.077 0.000 1.104 557 L CA 1.786 56.673 54.840 0.078 0.000 0.804 557 L CB -0.402 41.724 42.059 0.111 0.000 0.937 557 L HN 0.518 nan 8.230 nan 0.000 0.450 558 T N -5.885 108.713 114.554 0.074 0.000 3.004 558 T HA 0.262 4.611 4.350 -0.003 0.000 0.266 558 T C 1.399 176.139 174.700 0.066 0.000 0.986 558 T CA 0.454 62.594 62.100 0.067 0.000 0.902 558 T CB 0.975 69.882 68.868 0.064 0.000 1.118 558 T HN 0.291 nan 8.240 nan 0.000 0.522 559 G N 1.577 110.422 108.800 0.074 0.000 2.168 559 G HA2 -0.283 3.676 3.960 -0.003 0.000 0.263 559 G HA3 -0.283 3.676 3.960 -0.003 0.000 0.263 559 G C -0.132 174.816 174.900 0.080 0.000 0.977 559 G CA 0.372 45.519 45.100 0.078 0.000 0.659 559 G HN 0.735 nan 8.290 nan 0.000 0.533 560 E N 0.627 120.873 120.200 0.078 0.000 2.452 560 E HA 0.270 4.618 4.350 -0.003 0.000 0.261 560 E C 0.290 176.939 176.600 0.082 0.000 0.987 560 E CA 0.307 56.753 56.400 0.076 0.000 0.926 560 E CB 0.356 30.098 29.700 0.070 0.000 0.934 560 E HN 0.536 nan 8.360 nan 0.000 0.452 561 E N 2.729 122.974 120.200 0.074 0.000 2.158 561 E HA 0.357 4.705 4.350 -0.003 0.000 0.271 561 E C -1.628 174.969 176.600 -0.005 0.000 0.911 561 E CA -0.707 55.709 56.400 0.027 0.000 0.767 561 E CB 1.445 31.166 29.700 0.036 0.000 1.120 561 E HN 0.135 nan 8.360 nan 0.000 0.405 562 V N 5.317 125.202 119.914 -0.049 0.000 2.540 562 V HA 0.322 4.440 4.120 -0.003 0.000 0.302 562 V C -0.663 175.434 176.094 0.005 0.000 1.035 562 V CA -0.750 61.580 62.300 0.051 0.000 0.873 562 V CB 1.737 33.636 31.823 0.128 0.000 0.992 562 V HN 0.746 nan 8.190 nan 0.000 0.428 563 H N 2.533 121.733 119.070 0.216 0.000 2.472 563 H HA 0.526 5.081 4.556 -0.003 0.000 0.338 563 H C 0.255 175.738 175.328 0.260 0.000 1.133 563 H CA -0.363 55.805 56.048 0.200 0.000 1.216 563 H CB 2.369 32.186 29.762 0.092 0.000 1.497 563 H HN 0.797 nan 8.280 nan 0.000 0.500 564 G N 2.049 111.091 108.800 0.403 0.000 2.329 564 G HA2 0.322 4.281 3.960 -0.003 0.000 0.309 564 G HA3 0.322 4.281 3.960 -0.003 0.000 0.309 564 G C -0.551 174.468 174.900 0.199 0.000 1.110 564 G CA -0.825 44.487 45.100 0.353 0.000 0.923 564 G HN 0.331 nan 8.290 nan 0.000 0.430 565 K N 2.237 122.725 120.400 0.146 0.000 2.284 565 K HA 0.397 4.716 4.320 -0.003 0.000 0.287 565 K C 0.194 176.843 176.600 0.081 0.000 1.081 565 K CA -0.519 55.823 56.287 0.091 0.000 0.910 565 K CB 1.064 33.601 32.500 0.062 0.000 1.088 565 K HN 0.601 nan 8.250 nan 0.000 0.478 566 Q N 1.967 121.810 119.800 0.072 0.000 2.454 566 Q HA -0.228 4.111 4.340 -0.003 0.000 0.341 566 Q C 0.752 176.797 176.000 0.075 0.000 1.437 566 Q CA 0.688 56.528 55.803 0.061 0.000 0.935 566 Q CB -1.973 26.791 28.738 0.045 0.000 1.164 566 Q HN 1.117 nan 8.270 nan 0.000 0.373 567 G N -0.489 108.371 108.800 0.101 0.000 2.186 567 G HA2 -0.371 3.587 3.960 -0.003 0.000 0.266 567 G HA3 -0.371 3.587 3.960 -0.003 0.000 0.266 567 G C 0.028 175.004 174.900 0.126 0.000 0.982 567 G CA 0.956 46.129 45.100 0.120 0.000 0.670 567 G HN 0.482 nan 8.290 nan 0.000 0.533 568 Q N -0.943 118.924 119.800 0.110 0.000 2.345 568 Q HA 0.767 5.105 4.340 -0.003 0.000 0.268 568 Q C -0.556 175.501 176.000 0.094 0.000 1.054 568 Q CA -0.787 55.063 55.803 0.078 0.000 0.835 568 Q CB 2.745 31.505 28.738 0.036 0.000 1.339 568 Q HN 0.294 nan 8.270 nan 0.000 0.447 569 L N 1.725 122.965 121.223 0.027 0.000 2.385 569 L HA 0.584 4.922 4.340 -0.003 0.000 0.273 569 L C -1.435 175.380 176.870 -0.093 0.000 0.990 569 L CA -0.652 54.188 54.840 -0.001 0.000 0.821 569 L CB 1.893 43.890 42.059 -0.102 0.000 1.279 569 L HN 0.533 nan 8.230 nan 0.000 0.412 570 K N 4.918 125.285 120.400 -0.054 0.000 2.244 570 K HA 0.738 5.057 4.320 -0.003 0.000 0.260 570 K C -1.720 174.829 176.600 -0.085 0.000 0.951 570 K CA -0.449 55.788 56.287 -0.084 0.000 0.826 570 K CB 1.432 33.907 32.500 -0.042 0.000 1.108 570 K HN 0.595 nan 8.250 nan 0.000 0.433 571 L N 2.524 123.672 121.223 -0.125 0.000 2.409 571 L HA 0.527 4.866 4.340 -0.003 0.000 0.262 571 L C -0.934 175.880 176.870 -0.093 0.000 0.992 571 L CA -0.927 53.847 54.840 -0.111 0.000 0.817 571 L CB 2.686 44.645 42.059 -0.166 0.000 1.350 571 L HN 0.665 nan 8.230 nan 0.000 0.411 572 T N 3.304 117.823 114.554 -0.059 0.000 2.841 572 T HA 0.631 4.979 4.350 -0.003 0.000 0.285 572 T C -0.717 173.961 174.700 -0.037 0.000 0.991 572 T CA -0.557 61.513 62.100 -0.049 0.000 0.966 572 T CB 1.530 70.379 68.868 -0.032 0.000 0.962 572 T HN 0.178 nan 8.240 nan 0.000 0.438 573 L N 2.698 123.896 121.223 -0.043 0.000 2.365 573 L HA 0.557 4.895 4.340 -0.003 0.000 0.273 573 L C 0.619 177.473 176.870 -0.027 0.000 1.000 573 L CA -0.890 53.933 54.840 -0.028 0.000 0.819 573 L CB 2.028 44.067 42.059 -0.034 0.000 1.284 573 L HN 0.536 nan 8.230 nan 0.000 0.418 574 R N 1.757 122.253 120.500 -0.008 0.000 2.738 574 R HA 0.193 4.531 4.340 -0.003 0.000 0.268 574 R C -2.158 174.132 176.300 -0.017 0.000 1.062 574 R CA -1.435 54.662 56.100 -0.004 0.000 1.158 574 R CB -0.142 30.169 30.300 0.018 0.000 1.046 574 R HN 0.336 nan 8.270 nan 0.000 0.493 575 P HA -0.159 nan 4.420 nan 0.000 0.263 575 P C -0.803 176.517 177.300 0.033 0.000 1.168 575 P CA 0.819 63.864 63.100 -0.091 0.000 0.759 575 P CB 0.066 31.771 31.700 0.008 0.000 0.782 576 Y N -1.725 118.582 120.300 0.012 0.000 3.875 576 Y HA -0.294 4.254 4.550 -0.003 0.000 0.216 576 Y C 1.106 177.032 175.900 0.043 0.000 1.148 576 Y CA 0.539 58.660 58.100 0.034 0.000 1.629 576 Y CB -2.109 36.367 38.460 0.027 0.000 1.506 576 Y HN 0.450 nan 8.280 nan 0.000 0.629 577 Q N 0.802 120.673 119.800 0.119 0.000 2.354 577 Q HA 0.527 4.865 4.340 -0.003 0.000 0.244 577 Q C 0.582 176.655 176.000 0.122 0.000 0.969 577 Q CA 0.272 56.135 55.803 0.099 0.000 0.885 577 Q CB 1.109 29.880 28.738 0.054 0.000 1.241 577 Q HN 0.393 nan 8.270 nan 0.000 0.461 578 G N 2.966 111.846 108.800 0.132 0.000 2.590 578 G HA2 0.575 4.533 3.960 -0.003 0.000 0.310 578 G HA3 0.575 4.533 3.960 -0.003 0.000 0.310 578 G C -1.018 173.951 174.900 0.114 0.000 1.347 578 G CA -0.722 44.467 45.100 0.149 0.000 0.963 578 G HN 0.575 nan 8.290 nan 0.000 0.494 579 M N 1.938 121.587 119.600 0.082 0.000 2.404 579 M HA 0.490 4.968 4.480 -0.003 0.000 0.338 579 M C -0.588 175.750 176.300 0.063 0.000 1.150 579 M CA -0.516 54.823 55.300 0.065 0.000 1.016 579 M CB 2.511 35.131 32.600 0.034 0.000 1.672 579 M HN 0.237 nan 8.290 nan 0.000 0.448 580 I N 4.434 125.048 120.570 0.073 0.000 2.460 580 I HA 0.313 4.481 4.170 -0.003 0.000 0.277 580 I C -0.968 175.218 176.117 0.115 0.000 1.057 580 I CA -0.333 61.009 61.300 0.070 0.000 1.179 580 I CB 0.493 38.528 38.000 0.057 0.000 1.329 580 I HN 0.550 nan 8.210 nan 0.000 0.478 581 L N 5.020 126.312 121.223 0.114 0.000 2.268 581 L HA 0.258 4.597 4.340 -0.003 0.000 0.289 581 L C -0.579 176.471 176.870 0.299 0.000 1.064 581 L CA -0.271 54.673 54.840 0.173 0.000 0.824 581 L CB 0.367 42.451 42.059 0.041 0.000 1.202 581 L HN 0.565 nan 8.230 nan 0.000 0.433 582 W N 5.386 126.785 121.300 0.166 0.000 2.351 582 W HA 0.205 4.863 4.660 -0.003 0.000 0.311 582 W C 1.273 177.936 176.519 0.241 0.000 1.168 582 W CA -0.830 56.611 57.345 0.160 0.000 1.200 582 W CB 0.748 30.252 29.460 0.074 0.000 1.221 582 W HN 0.589 nan 8.180 nan 0.000 0.519 583 N N 3.754 122.317 118.700 -0.228 0.000 2.515 583 N HA 0.027 4.766 4.740 -0.003 0.000 0.185 583 N C 1.171 176.044 175.510 -1.063 0.000 1.109 583 N CA 1.268 53.995 53.050 -0.540 0.000 0.903 583 N CB 0.127 38.478 38.487 -0.227 0.000 0.969 583 N HN 0.924 nan 8.380 nan 0.000 0.450 584 G N -0.029 107.450 108.800 -2.201 0.000 2.284 584 G HA2 -0.223 3.736 3.960 -0.003 0.000 0.216 584 G HA3 -0.223 3.736 3.960 -0.003 0.000 0.216 584 G C 0.252 174.546 174.900 -1.010 0.000 1.009 584 G CA -0.112 43.830 45.100 -1.931 0.000 0.625 584 G HN 0.387 nan 8.290 nan 0.000 0.501 585 R N 0.000 120.161 120.500 -0.565 0.000 2.786 585 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 585 R CA 0.000 56.057 56.100 -0.072 0.000 0.921 585 R CB 0.000 30.230 30.300 -0.116 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535