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 2r5j_1_I DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVT RTNIYYHAGS SRLLAVGHPY YAIKKQDSNK IAVPKVSGLQ DATA SEQUENCE YRVFRVKLPD PNKFGFPDTS FYDPASQRLV WACTGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENSNKYVGNS GTDNRECISM DYKQTQLCLI GCRPPIGEHW DATA SEQUENCE GKGTPSNANQ VKAGECPPLE LLNTVLQDGD MVDTGFGAMD FTTLQANKSD DATA SEQUENCE VPLDICSSIC KYPDYLKMVS EPYGDMLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE TVPADLYIKG TTGTLPSTSY FPTPSGSMVT SDAQIFNKPY WLQRAQGHNN DATA SEQUENCE GICWSNQLFV TVVDTTRSTN MSVCSAVSSS DSTYKNDNFK EYLRHGEEYD DATA SEQUENCE LQFIFQLCKI TLTADVMTYI HSMNPSILED WNXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX PLKNYTFWEV DLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.593 177.584 0.016 0.000 1.274 20 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 20 A CB 0.000 19.008 19.000 0.013 0.000 0.831 21 V N 2.067 121.908 119.914 -0.121 0.000 2.740 21 V HA 0.428 4.548 4.120 0.000 0.000 0.303 21 V C 0.362 176.308 176.094 -0.247 0.000 1.054 21 V CA 0.225 62.382 62.300 -0.239 0.000 1.106 21 V CB 1.247 32.703 31.823 -0.611 0.000 0.957 21 V HN 0.825 nan 8.190 nan 0.000 0.486 22 V N 2.844 122.708 119.914 -0.083 0.000 2.971 22 V HA 0.363 4.483 4.120 0.000 0.000 0.309 22 V C -0.042 176.176 176.094 0.207 0.000 1.130 22 V CA -0.710 61.602 62.300 0.020 0.000 0.964 22 V CB 2.266 34.103 31.823 0.023 0.000 1.029 22 V HN 0.875 nan 8.190 nan 0.000 0.427 23 S N 1.690 117.550 115.700 0.266 0.000 2.515 23 S HA 0.022 4.492 4.470 0.000 0.000 0.285 23 S C 1.685 176.306 174.600 0.035 0.000 1.265 23 S CA 0.449 58.806 58.200 0.262 0.000 1.079 23 S CB 0.744 64.074 63.200 0.216 0.000 0.877 23 S HN 1.406 nan 8.310 nan 0.000 0.493 24 T N 2.032 116.550 114.554 -0.059 0.000 2.932 24 T HA -0.177 4.174 4.350 0.000 0.000 0.269 24 T C 0.780 175.176 174.700 -0.507 0.000 1.131 24 T CA 1.820 63.578 62.100 -0.570 0.000 1.107 24 T CB -0.506 68.221 68.868 -0.235 0.000 0.824 24 T HN 0.695 nan 8.240 nan 0.000 0.552 25 D N 0.816 121.102 120.400 -0.191 0.000 2.347 25 D HA 0.018 4.659 4.640 0.000 0.000 0.215 25 D C 2.004 178.262 176.300 -0.070 0.000 0.976 25 D CA 0.463 54.404 54.000 -0.098 0.000 0.884 25 D CB -0.086 40.700 40.800 -0.022 0.000 0.915 25 D HN 0.511 nan 8.370 nan 0.000 0.526 26 E N -0.177 119.983 120.200 -0.067 0.000 2.478 26 E HA -0.024 4.326 4.350 0.000 0.000 0.194 26 E C 0.446 177.172 176.600 0.210 0.000 1.045 26 E CA 0.217 56.658 56.400 0.069 0.000 0.868 26 E CB 0.243 30.017 29.700 0.123 0.000 0.885 26 E HN 0.592 nan 8.360 nan 0.000 0.505 27 Y N -3.238 117.095 120.300 0.055 0.000 2.863 27 Y HA 0.443 4.993 4.550 0.000 0.000 0.254 27 Y C -0.307 175.675 175.900 0.137 0.000 1.124 27 Y CA -0.622 57.525 58.100 0.078 0.000 1.203 27 Y CB 0.131 38.633 38.460 0.069 0.000 1.269 27 Y HN -0.291 nan 8.280 nan 0.000 0.586 28 V N 1.454 121.396 119.914 0.048 0.000 2.509 28 V HA 0.300 4.420 4.120 0.000 0.000 0.289 28 V C -0.123 175.968 176.094 -0.006 0.000 1.026 28 V CA -0.562 61.765 62.300 0.046 0.000 0.872 28 V CB 1.503 33.288 31.823 -0.062 0.000 1.017 28 V HN 0.362 nan 8.190 nan 0.000 0.436 29 T N 5.963 120.526 114.554 0.016 0.000 2.884 29 T HA 0.367 4.717 4.350 0.000 0.000 0.298 29 T C 0.332 175.006 174.700 -0.042 0.000 0.998 29 T CA -0.314 61.780 62.100 -0.010 0.000 1.124 29 T CB 0.408 69.277 68.868 0.002 0.000 0.931 29 T HN 0.435 nan 8.240 nan 0.000 0.531 30 R N 2.185 122.657 120.500 -0.047 0.000 2.500 30 R HA 0.532 4.872 4.340 0.000 0.000 0.277 30 R C 0.512 176.770 176.300 -0.070 0.000 1.026 30 R CA -0.545 55.513 56.100 -0.071 0.000 1.058 30 R CB 0.984 31.256 30.300 -0.048 0.000 1.078 30 R HN 0.774 nan 8.270 nan 0.000 0.509 31 T N -2.603 111.887 114.554 -0.107 0.000 2.942 31 T HA 0.263 4.613 4.350 0.000 0.000 0.289 31 T C 0.557 175.197 174.700 -0.100 0.000 1.044 31 T CA -0.919 61.137 62.100 -0.073 0.000 1.023 31 T CB 1.268 70.087 68.868 -0.083 0.000 1.123 31 T HN 0.502 nan 8.240 nan 0.000 0.512 32 N N 0.440 119.149 118.700 0.015 0.000 2.523 32 N HA 0.093 4.833 4.740 0.000 0.000 0.208 32 N C -0.419 175.157 175.510 0.111 0.000 1.313 32 N CA -0.148 52.975 53.050 0.122 0.000 0.853 32 N CB -0.181 38.420 38.487 0.190 0.000 1.090 32 N HN 0.436 nan 8.380 nan 0.000 0.463 33 I N 1.648 122.175 120.570 -0.071 0.000 2.307 33 I HA 0.181 4.351 4.170 0.000 0.000 0.289 33 I C -0.542 175.597 176.117 0.035 0.000 1.021 33 I CA -0.669 60.669 61.300 0.064 0.000 1.224 33 I CB -0.463 37.572 38.000 0.057 0.000 1.376 33 I HN -0.022 nan 8.210 nan 0.000 0.470 34 Y N 6.058 126.467 120.300 0.181 0.000 2.364 34 Y HA 0.523 5.073 4.550 0.000 0.000 0.340 34 Y C -0.521 175.387 175.900 0.013 0.000 0.975 34 Y CA -0.631 57.519 58.100 0.084 0.000 1.089 34 Y CB 1.813 40.194 38.460 -0.130 0.000 1.192 34 Y HN 0.346 nan 8.280 nan 0.000 0.454 35 Y N 1.883 122.241 120.300 0.096 0.000 2.446 35 Y HA 0.324 4.875 4.550 0.000 0.000 0.345 35 Y C -0.038 175.720 175.900 -0.236 0.000 0.984 35 Y CA -1.003 57.094 58.100 -0.004 0.000 1.058 35 Y CB 1.402 39.870 38.460 0.012 0.000 1.220 35 Y HN 0.595 nan 8.280 nan 0.000 0.455 36 H N 1.917 120.813 119.070 -0.291 0.000 2.525 36 H HA 0.881 5.437 4.556 0.000 0.000 0.340 36 H C -1.574 173.330 175.328 -0.707 0.000 1.168 36 H CA -0.517 55.212 56.048 -0.531 0.000 1.247 36 H CB 1.736 31.021 29.762 -0.795 0.000 1.568 36 H HN 0.804 nan 8.280 nan 0.000 0.536 37 A N 1.899 124.097 122.820 -1.037 0.000 2.517 37 A HA 0.611 4.931 4.320 0.000 0.000 0.297 37 A C -0.993 176.291 177.584 -0.501 0.000 1.050 37 A CA -0.010 51.611 52.037 -0.693 0.000 0.694 37 A CB 1.660 20.160 19.000 -0.832 0.000 1.277 37 A HN 0.894 nan 8.150 nan 0.000 0.400 38 G N 0.561 109.253 108.800 -0.180 0.000 2.746 38 G HA2 0.637 4.597 3.960 0.000 0.000 0.297 38 G HA3 0.637 4.597 3.960 0.000 0.000 0.297 38 G C -0.375 174.520 174.900 -0.010 0.000 1.426 38 G CA 0.178 45.209 45.100 -0.116 0.000 0.989 38 G HN 1.493 nan 8.290 nan 0.000 0.520 39 S N 0.363 116.037 115.700 -0.043 0.000 2.592 39 S HA 0.629 5.099 4.470 0.000 0.000 0.271 39 S C 0.984 175.580 174.600 -0.007 0.000 1.326 39 S CA 0.003 58.193 58.200 -0.018 0.000 1.024 39 S CB 1.337 64.474 63.200 -0.105 0.000 0.921 39 S HN 1.583 nan 8.310 nan 0.000 0.527 40 S N 1.027 116.747 115.700 0.034 0.000 2.624 40 S HA 0.307 4.777 4.470 0.000 0.000 0.263 40 S C 0.239 174.858 174.600 0.032 0.000 1.287 40 S CA -0.964 57.264 58.200 0.047 0.000 0.990 40 S CB 0.079 63.323 63.200 0.073 0.000 0.950 40 S HN 0.838 nan 8.310 nan 0.000 0.561 41 R N 0.271 120.795 120.500 0.039 0.000 2.695 41 R HA -0.067 4.273 4.340 0.000 0.000 0.304 41 R C -0.994 175.366 176.300 0.099 0.000 0.836 41 R CA 0.385 56.516 56.100 0.051 0.000 1.135 41 R CB -0.942 29.393 30.300 0.060 0.000 0.882 41 R HN 0.591 nan 8.270 nan 0.000 0.413 42 L N 7.031 128.313 121.223 0.099 0.000 2.265 42 L HA 0.370 4.710 4.340 0.000 0.000 0.289 42 L C -0.182 176.884 176.870 0.327 0.000 1.033 42 L CA -0.433 54.542 54.840 0.225 0.000 0.814 42 L CB 1.034 43.085 42.059 -0.015 0.000 1.203 42 L HN 0.472 nan 8.230 nan 0.000 0.423 43 L N 2.921 124.374 121.223 0.384 0.000 2.331 43 L HA 1.000 5.340 4.340 0.000 0.000 0.268 43 L C -0.016 177.122 176.870 0.448 0.000 1.015 43 L CA -0.663 54.384 54.840 0.345 0.000 0.807 43 L CB 1.893 44.075 42.059 0.205 0.000 1.293 43 L HN 0.714 nan 8.230 nan 0.000 0.451 44 A N 0.644 123.664 122.820 0.332 0.000 2.577 44 A HA 0.777 5.097 4.320 0.000 0.000 0.297 44 A C -1.716 175.961 177.584 0.155 0.000 1.060 44 A CA -0.441 51.734 52.037 0.229 0.000 0.697 44 A CB 1.781 20.980 19.000 0.333 0.000 1.281 44 A HN 0.321 nan 8.150 nan 0.000 0.402 45 V N 1.292 121.259 119.914 0.089 0.000 2.697 45 V HA 0.794 4.914 4.120 0.000 0.000 0.296 45 V C 0.379 176.508 176.094 0.058 0.000 1.140 45 V CA 0.319 62.669 62.300 0.083 0.000 0.921 45 V CB 1.361 33.225 31.823 0.069 0.000 1.036 45 V HN 1.939 nan 8.190 nan 0.000 0.438 46 G N 2.003 110.841 108.800 0.063 0.000 2.753 46 G HA2 0.455 4.415 3.960 0.000 0.000 0.303 46 G HA3 0.455 4.415 3.960 0.000 0.000 0.303 46 G C -1.620 173.314 174.900 0.056 0.000 1.242 46 G CA -0.560 44.579 45.100 0.066 0.000 0.810 46 G HN 0.658 nan 8.290 nan 0.000 0.515 47 H N 1.529 120.576 119.070 -0.037 0.000 2.525 47 H HA 0.392 4.948 4.556 0.000 0.000 0.339 47 H C -1.604 173.635 175.328 -0.147 0.000 1.109 47 H CA -1.570 54.391 56.048 -0.146 0.000 1.352 47 H CB 2.588 32.230 29.762 -0.199 0.000 1.461 47 H HN 0.162 nan 8.280 nan 0.000 0.533 48 P HA 0.004 nan 4.420 nan 0.000 0.251 48 P C 0.330 177.752 177.300 0.203 0.000 1.223 48 P CA 0.757 63.826 63.100 -0.053 0.000 0.796 48 P CB 0.346 31.956 31.700 -0.150 0.000 1.068 49 Y N -0.304 120.164 120.300 0.280 0.000 2.472 49 Y HA 0.153 4.704 4.550 0.000 0.000 0.288 49 Y C 0.930 176.918 175.900 0.147 0.000 1.154 49 Y CA -0.570 57.610 58.100 0.134 0.000 1.238 49 Y CB 0.256 38.727 38.460 0.018 0.000 1.287 49 Y HN -0.146 nan 8.280 nan 0.000 0.524 50 Y N -1.437 118.981 120.300 0.198 0.000 2.609 50 Y HA 0.798 5.348 4.550 0.000 0.000 0.336 50 Y C -0.875 174.982 175.900 -0.072 0.000 1.129 50 Y CA -2.853 55.260 58.100 0.021 0.000 1.040 50 Y CB 0.387 38.819 38.460 -0.047 0.000 1.310 50 Y HN -0.059 nan 8.280 nan 0.000 0.460 51 A N 2.318 125.302 122.820 0.273 0.000 2.425 51 A HA 0.605 4.926 4.320 0.000 0.000 0.249 51 A C -0.744 176.944 177.584 0.173 0.000 1.084 51 A CA -0.304 51.834 52.037 0.169 0.000 0.781 51 A CB -0.303 18.759 19.000 0.104 0.000 1.019 51 A HN 0.653 nan 8.150 nan 0.000 0.490 52 I N 2.969 123.621 120.570 0.135 0.000 2.354 52 I HA 0.240 4.410 4.170 0.000 0.000 0.286 52 I C 0.496 176.657 176.117 0.073 0.000 1.007 52 I CA -0.156 61.217 61.300 0.122 0.000 1.167 52 I CB 1.241 39.327 38.000 0.143 0.000 1.320 52 I HN 0.801 nan 8.210 nan 0.000 0.458 53 K N 4.675 125.102 120.400 0.044 0.000 2.267 53 K HA 0.625 4.945 4.320 0.000 0.000 0.236 53 K C -0.328 176.286 176.600 0.023 0.000 1.030 53 K CA -1.219 55.084 56.287 0.026 0.000 0.930 53 K CB 0.760 33.266 32.500 0.010 0.000 1.182 53 K HN 0.099 nan 8.250 nan 0.000 0.474 54 K N 0.609 121.018 120.400 0.015 0.000 2.355 54 K HA -0.071 4.249 4.320 0.000 0.000 0.270 54 K C 0.960 177.566 176.600 0.010 0.000 1.003 54 K CA 0.330 56.626 56.287 0.014 0.000 0.957 54 K CB 1.035 33.541 32.500 0.009 0.000 0.939 54 K HN 0.655 nan 8.250 nan 0.000 0.482 55 Q N 1.689 121.497 119.800 0.013 0.000 2.173 55 Q HA -0.212 4.128 4.340 0.000 0.000 0.208 55 Q C 0.397 176.396 176.000 -0.001 0.000 0.989 55 Q CA 2.379 58.187 55.803 0.008 0.000 0.872 55 Q CB 0.045 28.791 28.738 0.012 0.000 0.909 55 Q HN 0.817 nan 8.270 nan 0.000 0.420 56 D N -1.328 119.072 120.400 -0.000 0.000 2.584 56 D HA 0.026 4.667 4.640 0.000 0.000 0.254 56 D C 0.526 176.823 176.300 -0.006 0.000 1.085 56 D CA 0.627 54.625 54.000 -0.004 0.000 0.971 56 D CB -0.781 40.017 40.800 -0.002 0.000 1.103 56 D HN 0.180 nan 8.370 nan 0.000 0.453 57 S N 1.327 117.025 115.700 -0.003 0.000 2.563 57 S HA -0.054 4.417 4.470 0.000 0.000 0.269 57 S C 0.971 175.567 174.600 -0.006 0.000 1.364 57 S CA -0.109 58.089 58.200 -0.004 0.000 1.010 57 S CB 0.313 63.512 63.200 -0.002 0.000 0.877 57 S HN 0.290 nan 8.310 nan 0.000 0.549 58 N N 1.664 120.360 118.700 -0.007 0.000 2.203 58 N HA 0.067 4.807 4.740 0.000 0.000 0.207 58 N C -0.042 175.464 175.510 -0.006 0.000 1.130 58 N CA -0.365 52.680 53.050 -0.009 0.000 0.861 58 N CB 0.040 38.520 38.487 -0.012 0.000 1.005 58 N HN 0.474 nan 8.380 nan 0.000 0.507 59 K N 1.291 121.688 120.400 -0.004 0.000 2.355 59 K HA 0.132 4.452 4.320 0.000 0.000 0.270 59 K C 0.174 176.775 176.600 0.002 0.000 1.003 59 K CA -0.371 55.914 56.287 -0.003 0.000 0.957 59 K CB 0.846 33.344 32.500 -0.004 0.000 0.939 59 K HN -0.020 nan 8.250 nan 0.000 0.482 60 I N 3.339 123.910 120.570 0.001 0.000 2.556 60 I HA -0.034 4.136 4.170 0.000 0.000 0.284 60 I C 1.063 177.186 176.117 0.010 0.000 1.114 60 I CA 0.430 61.736 61.300 0.009 0.000 1.418 60 I CB 0.800 38.803 38.000 0.004 0.000 1.394 60 I HN 0.796 nan 8.210 nan 0.000 0.552 61 A N 6.664 129.497 122.820 0.022 0.000 1.944 61 A HA 0.299 4.619 4.320 0.000 0.000 0.207 61 A C 0.590 178.190 177.584 0.026 0.000 1.265 61 A CA 0.410 52.461 52.037 0.022 0.000 0.712 61 A CB 0.367 19.385 19.000 0.030 0.000 0.915 61 A HN 0.457 nan 8.150 nan 0.000 0.470 62 V N 2.166 122.105 119.914 0.043 0.000 2.525 62 V HA 0.379 4.499 4.120 0.000 0.000 0.299 62 V C -2.585 173.544 176.094 0.060 0.000 1.034 62 V CA -1.722 60.609 62.300 0.053 0.000 0.863 62 V CB 1.992 33.863 31.823 0.081 0.000 0.999 62 V HN 0.309 nan 8.190 nan 0.000 0.423 63 P HA 0.281 nan 4.420 nan 0.000 0.297 63 P C -1.087 176.255 177.300 0.070 0.000 1.303 63 P CA -0.687 62.437 63.100 0.040 0.000 0.753 63 P CB 1.315 33.016 31.700 0.001 0.000 1.281 64 K N 0.318 120.759 120.400 0.070 0.000 2.404 64 K HA 0.393 4.713 4.320 0.000 0.000 0.257 64 K C -1.316 175.324 176.600 0.067 0.000 1.026 64 K CA -0.570 55.775 56.287 0.096 0.000 0.951 64 K CB 0.222 32.793 32.500 0.117 0.000 1.203 64 K HN 0.093 nan 8.250 nan 0.000 0.446 65 V N 3.147 123.092 119.914 0.052 0.000 2.370 65 V HA 0.439 4.560 4.120 0.000 0.000 0.279 65 V C -0.355 175.684 176.094 -0.092 0.000 1.029 65 V CA -0.544 61.754 62.300 -0.003 0.000 0.870 65 V CB 1.092 32.915 31.823 -0.001 0.000 0.984 65 V HN 0.810 nan 8.190 nan 0.000 0.451 66 S N 3.149 118.758 115.700 -0.152 0.000 2.533 66 S HA 0.554 5.024 4.470 0.000 0.000 0.271 66 S C 1.019 175.544 174.600 -0.126 0.000 1.143 66 S CA 0.092 58.230 58.200 -0.104 0.000 0.891 66 S CB 1.830 65.120 63.200 0.149 0.000 1.105 66 S HN 0.962 nan 8.310 nan 0.000 0.468 67 G N 1.840 110.661 108.800 0.036 0.000 2.479 67 G HA2 -0.044 3.916 3.960 0.000 0.000 0.220 67 G HA3 -0.044 3.916 3.960 0.000 0.000 0.220 67 G C 0.708 175.719 174.900 0.184 0.000 1.115 67 G CA 0.749 45.984 45.100 0.225 0.000 0.757 67 G HN 0.687 nan 8.290 nan 0.000 0.560 68 L N 0.270 121.612 121.223 0.199 0.000 2.805 68 L HA 0.348 4.688 4.340 0.000 0.000 0.237 68 L C 0.726 177.680 176.870 0.140 0.000 1.252 68 L CA 0.111 55.062 54.840 0.185 0.000 1.064 68 L CB 0.202 42.424 42.059 0.272 0.000 1.361 68 L HN 0.149 nan 8.230 nan 0.000 0.474 69 Q N -1.363 118.501 119.800 0.107 0.000 2.433 69 Q HA 0.459 4.800 4.340 0.000 0.000 0.279 69 Q C -1.334 174.722 176.000 0.094 0.000 1.105 69 Q CA -0.895 54.990 55.803 0.137 0.000 0.815 69 Q CB 2.437 31.251 28.738 0.127 0.000 1.403 69 Q HN 0.023 nan 8.270 nan 0.000 0.435 70 Y N 0.288 120.615 120.300 0.045 0.000 2.335 70 Y HA 0.366 4.916 4.550 0.000 0.000 0.323 70 Y C 0.251 176.101 175.900 -0.085 0.000 1.224 70 Y CA -0.403 57.699 58.100 0.004 0.000 1.241 70 Y CB 0.963 39.425 38.460 0.004 0.000 1.235 70 Y HN 0.191 nan 8.280 nan 0.000 0.492 71 R N 2.063 122.524 120.500 -0.065 0.000 2.443 71 R HA 0.337 4.677 4.340 0.000 0.000 0.287 71 R C -1.779 174.170 176.300 -0.584 0.000 1.425 71 R CA -0.530 55.253 56.100 -0.530 0.000 1.300 71 R CB 0.780 30.516 30.300 -0.939 0.000 1.129 71 R HN 0.405 nan 8.270 nan 0.000 0.577 72 V N 4.660 124.415 119.914 -0.265 0.000 2.348 72 V HA 0.364 4.484 4.120 0.000 0.000 0.270 72 V C 0.117 176.126 176.094 -0.141 0.000 1.037 72 V CA -0.299 61.951 62.300 -0.082 0.000 0.872 72 V CB 0.412 32.328 31.823 0.156 0.000 1.002 72 V HN 0.379 nan 8.190 nan 0.000 0.464 73 F N 4.389 124.324 119.950 -0.024 0.000 2.410 73 F HA 0.531 5.058 4.527 0.000 0.000 0.349 73 F C 0.696 176.301 175.800 -0.325 0.000 1.117 73 F CA -0.539 57.398 58.000 -0.107 0.000 1.104 73 F CB 1.220 40.120 39.000 -0.166 0.000 1.122 73 F HN 0.351 nan 8.300 nan 0.000 0.483 74 R N 3.824 124.232 120.500 -0.154 0.000 2.215 74 R HA 0.524 4.864 4.340 0.000 0.000 0.336 74 R C -1.690 174.427 176.300 -0.305 0.000 0.996 74 R CA -0.433 55.288 56.100 -0.632 0.000 0.847 74 R CB 1.028 31.049 30.300 -0.464 0.000 1.127 74 R HN 0.529 nan 8.270 nan 0.000 0.465 75 V N 5.994 125.670 119.914 -0.396 0.000 2.348 75 V HA 0.215 4.335 4.120 0.000 0.000 0.270 75 V C 0.037 175.986 176.094 -0.241 0.000 1.037 75 V CA -0.577 61.571 62.300 -0.253 0.000 0.872 75 V CB 1.206 32.836 31.823 -0.322 0.000 1.002 75 V HN 0.607 nan 8.190 nan 0.000 0.464 76 K N 5.811 126.128 120.400 -0.138 0.000 2.276 76 K HA 0.511 4.831 4.320 0.000 0.000 0.285 76 K C -0.520 176.005 176.600 -0.126 0.000 1.062 76 K CA -0.131 56.090 56.287 -0.110 0.000 0.918 76 K CB 1.377 33.851 32.500 -0.043 0.000 1.055 76 K HN 0.523 nan 8.250 nan 0.000 0.477 77 L N 5.025 126.140 121.223 -0.180 0.000 2.360 77 L HA 0.427 4.767 4.340 0.000 0.000 0.271 77 L C -1.770 174.958 176.870 -0.237 0.000 1.057 77 L CA -2.182 52.496 54.840 -0.271 0.000 0.803 77 L CB 0.993 42.828 42.059 -0.373 0.000 1.207 77 L HN 0.377 nan 8.230 nan 0.000 0.445 78 P HA -0.065 nan 4.420 nan 0.000 0.268 78 P C -1.034 176.153 177.300 -0.189 0.000 1.205 78 P CA -0.170 62.718 63.100 -0.353 0.000 0.771 78 P CB 0.903 32.152 31.700 -0.752 0.000 0.858 79 D N 4.876 125.214 120.400 -0.103 0.000 2.358 79 D HA 0.034 4.675 4.640 0.000 0.000 0.258 79 D C -1.116 175.098 176.300 -0.144 0.000 1.223 79 D CA -1.857 52.096 54.000 -0.079 0.000 0.886 79 D CB 0.772 41.579 40.800 0.012 0.000 1.120 79 D HN 0.237 nan 8.370 nan 0.000 0.482 80 P HA -0.120 nan 4.420 nan 0.000 0.231 80 P C 0.491 177.780 177.300 -0.018 0.000 1.154 80 P CA 0.637 63.545 63.100 -0.320 0.000 0.762 80 P CB 0.413 31.568 31.700 -0.908 0.000 0.790 81 N N 0.243 118.934 118.700 -0.015 0.000 2.439 81 N HA 0.014 4.754 4.740 0.000 0.000 0.176 81 N C 1.614 177.167 175.510 0.071 0.000 1.029 81 N CA 0.591 53.664 53.050 0.038 0.000 0.886 81 N CB 0.062 38.556 38.487 0.011 0.000 1.057 81 N HN 0.309 nan 8.380 nan 0.000 0.437 82 K N 0.557 121.001 120.400 0.073 0.000 2.025 82 K HA -0.024 4.296 4.320 0.000 0.000 0.207 82 K C 0.519 177.166 176.600 0.079 0.000 1.049 82 K CA 0.425 56.757 56.287 0.075 0.000 0.933 82 K CB -0.343 32.206 32.500 0.082 0.000 0.714 82 K HN -0.043 nan 8.250 nan 0.000 0.438 83 F N 1.714 121.571 119.950 -0.155 0.000 2.642 83 F HA 0.013 4.540 4.527 0.000 0.000 0.371 83 F C 1.289 176.810 175.800 -0.465 0.000 1.120 83 F CA 0.394 58.178 58.000 -0.359 0.000 1.331 83 F CB 0.316 39.042 39.000 -0.458 0.000 1.044 83 F HN 0.016 nan 8.300 nan 0.000 0.594 84 G N 3.377 111.870 108.800 -0.513 0.000 2.420 84 G HA2 0.609 4.569 3.960 0.000 0.000 0.331 84 G HA3 0.609 4.569 3.960 0.000 0.000 0.331 84 G C -1.791 172.734 174.900 -0.624 0.000 1.168 84 G CA -0.495 44.382 45.100 -0.372 0.000 0.936 84 G HN 0.400 nan 8.290 nan 0.000 0.479 85 F N 0.740 120.696 119.950 0.009 0.000 2.577 85 F HA 0.496 5.024 4.527 0.000 0.000 0.318 85 F C -1.214 174.583 175.800 -0.005 0.000 1.065 85 F CA -1.799 56.214 58.000 0.022 0.000 0.929 85 F CB 2.944 41.942 39.000 -0.003 0.000 1.237 85 F HN 0.331 nan 8.300 nan 0.000 0.468 86 P HA -0.016 nan 4.420 nan 0.000 0.224 86 P C 0.653 177.961 177.300 0.012 0.000 1.159 86 P CA 1.035 64.189 63.100 0.090 0.000 0.824 86 P CB 0.421 32.181 31.700 0.100 0.000 0.833 87 D N 0.706 121.127 120.400 0.035 0.000 2.347 87 D HA -0.055 4.585 4.640 0.000 0.000 0.215 87 D C 0.418 176.516 176.300 -0.338 0.000 0.976 87 D CA 0.694 54.633 54.000 -0.101 0.000 0.884 87 D CB -0.466 40.357 40.800 0.038 0.000 0.915 87 D HN 0.098 nan 8.370 nan 0.000 0.526 88 T N -1.256 113.195 114.554 -0.171 0.000 4.098 88 T HA 0.221 4.571 4.350 0.000 0.000 0.291 88 T C 1.078 175.726 174.700 -0.087 0.000 1.440 88 T CA -0.029 61.964 62.100 -0.178 0.000 1.164 88 T CB 0.203 68.938 68.868 -0.221 0.000 1.313 88 T HN -0.012 nan 8.240 nan 0.000 0.951 89 S N 0.860 116.326 115.700 -0.389 0.000 2.514 89 S HA 0.182 4.653 4.470 0.000 0.000 0.223 89 S C 0.584 175.118 174.600 -0.109 0.000 1.046 89 S CA -0.692 57.359 58.200 -0.248 0.000 0.914 89 S CB -0.432 62.625 63.200 -0.239 0.000 0.807 89 S HN 0.637 nan 8.310 nan 0.000 0.497 90 F N 1.282 121.300 119.950 0.114 0.000 2.942 90 F HA 0.666 5.193 4.527 0.000 0.000 0.324 90 F C -0.487 175.396 175.800 0.139 0.000 1.265 90 F CA -2.408 55.647 58.000 0.092 0.000 1.255 90 F CB -0.824 38.214 39.000 0.064 0.000 1.048 90 F HN 0.182 nan 8.300 nan 0.000 0.512 91 Y N 1.049 121.440 120.300 0.153 0.000 2.386 91 Y HA 0.570 5.121 4.550 0.000 0.000 0.334 91 Y C -1.769 174.146 175.900 0.026 0.000 1.002 91 Y CA -1.935 56.215 58.100 0.084 0.000 1.068 91 Y CB 1.430 39.915 38.460 0.040 0.000 1.203 91 Y HN 0.199 nan 8.280 nan 0.000 0.443 92 D N 8.598 128.756 120.400 -0.404 0.000 2.349 92 D HA 0.387 5.027 4.640 0.000 0.000 0.232 92 D C -1.991 173.801 176.300 -0.846 0.000 1.071 92 D CA -2.701 51.000 54.000 -0.498 0.000 0.832 92 D CB 2.227 42.893 40.800 -0.224 0.000 1.086 92 D HN 0.369 nan 8.370 nan 0.000 0.504 93 P HA -0.123 nan 4.420 nan 0.000 0.222 93 P C 0.954 178.079 177.300 -0.291 0.000 1.147 93 P CA 0.659 63.399 63.100 -0.600 0.000 0.790 93 P CB 0.288 31.795 31.700 -0.322 0.000 0.780 94 A N 0.976 123.651 122.820 -0.241 0.000 1.898 94 A HA -0.105 4.215 4.320 0.000 0.000 0.216 94 A C 2.262 179.773 177.584 -0.122 0.000 1.181 94 A CA 2.264 54.216 52.037 -0.141 0.000 0.620 94 A CB -1.056 17.877 19.000 -0.111 0.000 0.819 94 A HN 0.408 nan 8.150 nan 0.000 0.442 95 S N -1.869 113.745 115.700 -0.144 0.000 2.526 95 S HA 0.256 4.726 4.470 0.000 0.000 0.220 95 S C 0.508 175.050 174.600 -0.097 0.000 1.017 95 S CA -0.501 57.644 58.200 -0.091 0.000 0.930 95 S CB 0.073 63.237 63.200 -0.060 0.000 0.856 95 S HN 0.602 nan 8.310 nan 0.000 0.497 96 Q N 0.587 120.292 119.800 -0.158 0.000 2.301 96 Q HA 0.670 5.010 4.340 0.000 0.000 0.267 96 Q C -0.600 175.328 176.000 -0.120 0.000 1.035 96 Q CA -1.040 54.712 55.803 -0.086 0.000 0.856 96 Q CB 1.545 30.298 28.738 0.026 0.000 1.337 96 Q HN 0.070 nan 8.270 nan 0.000 0.450 97 R N 0.423 120.793 120.500 -0.218 0.000 3.003 97 R HA 0.654 4.995 4.340 0.000 0.000 0.251 97 R C -1.076 175.023 176.300 -0.335 0.000 1.265 97 R CA -0.864 54.974 56.100 -0.438 0.000 1.026 97 R CB 0.984 30.495 30.300 -1.315 0.000 1.307 97 R HN 0.539 nan 8.270 nan 0.000 0.475 98 L N 0.559 121.547 121.223 -0.392 0.000 2.388 98 L HA 0.700 5.040 4.340 0.000 0.000 0.264 98 L C -0.684 176.073 176.870 -0.188 0.000 0.998 98 L CA -1.053 53.592 54.840 -0.324 0.000 0.817 98 L CB 2.390 44.185 42.059 -0.440 0.000 1.338 98 L HN 0.200 nan 8.230 nan 0.000 0.414 99 V N -1.015 118.777 119.914 -0.204 0.000 3.040 99 V HA 0.428 4.548 4.120 0.000 0.000 0.312 99 V C -1.280 174.612 176.094 -0.336 0.000 1.115 99 V CA -0.897 61.313 62.300 -0.150 0.000 0.998 99 V CB 2.180 33.940 31.823 -0.104 0.000 1.042 99 V HN 0.657 nan 8.190 nan 0.000 0.433 100 W N 1.120 122.296 121.300 -0.207 0.000 2.338 100 W HA 0.679 5.340 4.660 0.001 0.000 0.307 100 W C 0.209 176.617 176.519 -0.185 0.000 1.167 100 W CA -0.449 56.754 57.345 -0.238 0.000 1.208 100 W CB 1.453 30.644 29.460 -0.447 0.000 1.228 100 W HN 0.731 nan 8.180 nan 0.000 0.499 101 A N 4.092 127.032 122.820 0.200 0.000 2.253 101 A HA 0.359 4.679 4.320 0.000 0.000 0.316 101 A C -0.489 177.249 177.584 0.256 0.000 1.327 101 A CA -0.609 51.490 52.037 0.103 0.000 0.917 101 A CB 0.230 19.225 19.000 -0.007 0.000 1.162 101 A HN 0.766 nan 8.150 nan 0.000 0.535 102 C N 3.119 122.587 119.300 0.279 0.000 2.633 102 C HA 0.347 4.807 4.460 0.000 0.000 0.415 102 C C 1.553 176.564 174.990 0.035 0.000 1.393 102 C CA 0.926 60.094 59.018 0.251 0.000 1.700 102 C CB -0.983 26.875 27.740 0.197 0.000 2.541 102 C HN 0.888 nan 8.230 nan 0.000 0.603 103 T N 3.632 118.178 114.554 -0.014 0.000 3.056 103 T HA 0.330 4.680 4.350 0.000 0.000 0.243 103 T C 0.638 175.459 174.700 0.200 0.000 0.995 103 T CA 0.726 62.895 62.100 0.115 0.000 1.091 103 T CB 0.315 69.297 68.868 0.190 0.000 0.990 103 T HN 0.905 nan 8.240 nan 0.000 0.464 104 G N 0.876 109.702 108.800 0.042 0.000 2.719 104 G HA2 0.583 4.543 3.960 0.000 0.000 0.298 104 G HA3 0.583 4.543 3.960 0.000 0.000 0.298 104 G C -1.617 173.076 174.900 -0.345 0.000 1.411 104 G CA -0.417 44.624 45.100 -0.099 0.000 0.991 104 G HN 0.168 nan 8.290 nan 0.000 0.509 105 V N 0.962 120.626 119.914 -0.416 0.000 2.769 105 V HA 0.683 4.803 4.120 0.000 0.000 0.312 105 V C -0.559 175.143 176.094 -0.653 0.000 1.061 105 V CA -0.924 61.117 62.300 -0.432 0.000 0.931 105 V CB 2.125 33.906 31.823 -0.071 0.000 1.010 105 V HN 0.706 nan 8.190 nan 0.000 0.433 106 E N 2.039 121.824 120.200 -0.692 0.000 2.316 106 E HA 0.356 4.706 4.350 0.000 0.000 0.254 106 E C -1.615 174.662 176.600 -0.539 0.000 0.902 106 E CA -0.333 55.664 56.400 -0.672 0.000 0.801 106 E CB 2.249 31.619 29.700 -0.551 0.000 1.270 106 E HN 0.468 nan 8.360 nan 0.000 0.414 107 V N 3.361 123.019 119.914 -0.427 0.000 2.299 107 V HA 0.235 4.355 4.120 0.000 0.000 0.255 107 V C 0.894 176.840 176.094 -0.246 0.000 1.100 107 V CA -0.434 61.694 62.300 -0.285 0.000 0.938 107 V CB 0.745 32.476 31.823 -0.154 0.000 1.139 107 V HN 0.645 nan 8.190 nan 0.000 0.490 108 G N 5.907 114.558 108.800 -0.249 0.000 2.299 108 G HA2 0.261 4.222 3.960 0.000 0.000 0.256 108 G HA3 0.261 4.222 3.960 0.000 0.000 0.256 108 G C 0.085 174.846 174.900 -0.231 0.000 1.259 108 G CA -0.375 44.609 45.100 -0.194 0.000 0.943 108 G HN 0.497 nan 8.290 nan 0.000 0.479 109 R N 1.558 121.937 120.500 -0.202 0.000 2.589 109 R HA 0.602 4.943 4.340 0.000 0.000 0.293 109 R C 0.321 176.525 176.300 -0.161 0.000 0.963 109 R CA -0.533 55.396 56.100 -0.284 0.000 0.905 109 R CB 2.092 32.244 30.300 -0.246 0.000 1.144 109 R HN 0.582 nan 8.270 nan 0.000 0.459 110 G N 0.795 109.488 108.800 -0.178 0.000 2.568 110 G HA2 0.535 4.495 3.960 0.000 0.000 0.313 110 G HA3 0.535 4.495 3.960 0.000 0.000 0.313 110 G C -1.059 173.803 174.900 -0.065 0.000 1.227 110 G CA -0.203 44.840 45.100 -0.094 0.000 0.979 110 G HN 0.350 nan 8.290 nan 0.000 0.486 111 Q N -1.519 118.266 119.800 -0.024 0.000 1.900 111 Q HA -0.122 4.218 4.340 0.000 0.000 0.048 111 Q C -2.672 173.327 176.000 -0.001 0.000 1.340 111 Q CA -0.022 55.780 55.803 -0.001 0.000 0.202 111 Q CB -1.508 27.240 28.738 0.016 0.000 4.630 111 Q HN 0.664 nan 8.270 nan 0.000 0.299 112 P HA 0.300 nan 4.420 nan 0.000 0.275 112 P C -0.233 177.074 177.300 0.011 0.000 1.228 112 P CA -0.589 62.513 63.100 0.003 0.000 0.786 112 P CB 0.441 32.140 31.700 -0.002 0.000 0.927 113 L N 2.060 123.292 121.223 0.016 0.000 2.499 113 L HA 0.407 4.747 4.340 0.000 0.000 0.273 113 L C 1.304 178.185 176.870 0.018 0.000 1.195 113 L CA 1.552 56.407 54.840 0.026 0.000 0.882 113 L CB -0.499 41.575 42.059 0.025 0.000 1.133 113 L HN 0.724 nan 8.230 nan 0.000 0.483 114 G N 1.981 110.794 108.800 0.021 0.000 2.749 114 G HA2 0.756 4.716 3.960 0.000 0.000 0.300 114 G HA3 0.756 4.716 3.960 0.000 0.000 0.300 114 G C -1.571 173.338 174.900 0.015 0.000 1.352 114 G CA 0.027 45.129 45.100 0.003 0.000 0.789 114 G HN 0.754 nan 8.290 nan 0.000 0.509 115 V N -2.597 117.319 119.914 0.003 0.000 3.048 115 V HA 0.952 5.073 4.120 0.000 0.000 0.303 115 V C 0.260 176.357 176.094 0.006 0.000 1.214 115 V CA 0.115 62.430 62.300 0.025 0.000 0.984 115 V CB 1.397 33.243 31.823 0.039 0.000 1.054 115 V HN 1.637 nan 8.190 nan 0.000 0.430 116 G N 1.822 110.637 108.800 0.026 0.000 2.568 116 G HA2 0.845 4.805 3.960 0.000 0.000 0.293 116 G HA3 0.845 4.805 3.960 0.000 0.000 0.293 116 G C -0.887 174.002 174.900 -0.017 0.000 1.347 116 G CA -0.633 44.475 45.100 0.014 0.000 1.039 116 G HN 1.514 nan 8.290 nan 0.000 0.523 117 I N -0.783 119.778 120.570 -0.016 0.000 2.735 117 I HA 0.396 4.566 4.170 0.000 0.000 0.287 117 I C -1.411 174.668 176.117 -0.063 0.000 1.452 117 I CA -0.467 60.787 61.300 -0.076 0.000 1.061 117 I CB 1.730 39.715 38.000 -0.024 0.000 1.383 117 I HN 0.486 nan 8.210 nan 0.000 0.425 118 S N 4.980 120.514 115.700 -0.277 0.000 2.571 118 S HA 0.905 5.375 4.470 0.000 0.000 0.284 118 S C -0.213 174.202 174.600 -0.309 0.000 1.128 118 S CA -0.543 57.431 58.200 -0.377 0.000 0.970 118 S CB 1.916 64.885 63.200 -0.384 0.000 1.039 118 S HN 0.921 nan 8.310 nan 0.000 0.485 119 G N 0.799 109.406 108.800 -0.322 0.000 3.176 119 G HA2 0.685 4.645 3.960 0.000 0.000 0.272 119 G HA3 0.685 4.645 3.960 0.000 0.000 0.272 119 G C -1.776 173.057 174.900 -0.113 0.000 1.349 119 G CA -0.438 44.573 45.100 -0.148 0.000 0.953 119 G HN 0.657 nan 8.290 nan 0.000 0.559 120 H N -0.446 118.546 119.070 -0.131 0.000 2.856 120 H HA 0.358 4.914 4.556 0.000 0.000 0.355 120 H C -2.103 173.186 175.328 -0.066 0.000 1.079 120 H CA -1.361 54.626 56.048 -0.103 0.000 1.240 120 H CB 2.933 32.628 29.762 -0.111 0.000 1.701 120 H HN 0.092 nan 8.280 nan 0.000 0.527 121 P HA -0.088 nan 4.420 nan 0.000 0.215 121 P C 0.724 178.135 177.300 0.185 0.000 1.157 121 P CA 1.298 64.452 63.100 0.091 0.000 0.874 121 P CB 0.364 32.069 31.700 0.008 0.000 0.790 122 L N -1.357 120.137 121.223 0.451 0.000 3.073 122 L HA 0.228 4.569 4.340 0.000 0.000 0.242 122 L C 0.371 177.158 176.870 -0.139 0.000 1.317 122 L CA -0.951 53.982 54.840 0.155 0.000 1.081 122 L CB -0.294 41.853 42.059 0.146 0.000 1.456 122 L HN -0.028 nan 8.230 nan 0.000 0.525 123 L N 0.817 121.955 121.223 -0.140 0.000 2.485 123 L HA 0.034 4.374 4.340 0.000 0.000 0.275 123 L C 0.763 177.491 176.870 -0.237 0.000 1.207 123 L CA 0.423 55.077 54.840 -0.311 0.000 0.855 123 L CB 0.361 42.322 42.059 -0.163 0.000 1.114 123 L HN 0.190 nan 8.230 nan 0.000 0.485 124 N N 4.606 123.131 118.700 -0.292 0.000 2.605 124 N HA 0.105 4.845 4.740 0.000 0.000 0.258 124 N C -1.145 174.284 175.510 -0.136 0.000 1.156 124 N CA 0.079 53.003 53.050 -0.209 0.000 1.008 124 N CB -0.139 38.206 38.487 -0.237 0.000 1.354 124 N HN 0.455 nan 8.380 nan 0.000 0.509 125 K N 4.919 125.287 120.400 -0.053 0.000 2.559 125 K HA 0.123 4.443 4.320 0.000 0.000 0.249 125 K C 0.036 176.666 176.600 0.049 0.000 0.958 125 K CA -0.563 55.736 56.287 0.019 0.000 0.901 125 K CB 0.935 33.291 32.500 -0.240 0.000 1.124 125 K HN 0.321 nan 8.250 nan 0.000 0.437 126 L N 3.748 125.060 121.223 0.149 0.000 1.909 126 L HA 0.049 4.389 4.340 0.000 0.000 0.216 126 L C -0.096 176.858 176.870 0.139 0.000 1.097 126 L CA 1.935 56.850 54.840 0.125 0.000 0.777 126 L CB -0.223 41.925 42.059 0.148 0.000 0.887 126 L HN 0.796 nan 8.230 nan 0.000 0.432 127 D N -1.999 118.522 120.400 0.201 0.000 2.533 127 D HA 0.283 4.923 4.640 0.000 0.000 0.247 127 D C -1.310 175.191 176.300 0.334 0.000 1.056 127 D CA -0.575 53.557 54.000 0.221 0.000 1.054 127 D CB 0.424 41.317 40.800 0.156 0.000 1.400 127 D HN 0.163 nan 8.370 nan 0.000 0.533 128 D N -0.566 119.998 120.400 0.273 0.000 2.483 128 D HA 0.139 4.779 4.640 0.000 0.000 0.220 128 D C 0.757 177.069 176.300 0.021 0.000 1.173 128 D CA -0.377 53.724 54.000 0.168 0.000 0.964 128 D CB 0.151 41.042 40.800 0.152 0.000 1.046 128 D HN 0.379 nan 8.370 nan 0.000 0.517 129 T N -0.072 114.472 114.554 -0.015 0.000 3.227 129 T HA -0.061 4.289 4.350 0.000 0.000 0.257 129 T C 1.417 176.022 174.700 -0.158 0.000 1.162 129 T CA 0.174 62.233 62.100 -0.068 0.000 1.051 129 T CB -0.061 68.759 68.868 -0.079 0.000 0.953 129 T HN 0.468 nan 8.240 nan 0.000 0.535 130 E N 1.904 121.989 120.200 -0.192 0.000 2.058 130 E HA -0.164 4.186 4.350 0.000 0.000 0.194 130 E C 0.874 177.396 176.600 -0.130 0.000 0.997 130 E CA 1.004 57.286 56.400 -0.198 0.000 0.801 130 E CB 0.119 29.673 29.700 -0.243 0.000 0.746 130 E HN 0.506 nan 8.360 nan 0.000 0.450 131 N N -0.216 118.431 118.700 -0.088 0.000 2.658 131 N HA 0.001 4.741 4.740 0.000 0.000 0.238 131 N C -1.611 173.886 175.510 -0.021 0.000 1.495 131 N CA 0.015 53.033 53.050 -0.053 0.000 0.883 131 N CB 0.359 38.813 38.487 -0.055 0.000 1.463 131 N HN -0.016 nan 8.380 nan 0.000 0.531 132 S N 0.130 115.826 115.700 -0.006 0.000 2.542 132 S HA -0.007 4.463 4.470 0.000 0.000 0.287 132 S C 1.381 175.999 174.600 0.029 0.000 1.315 132 S CA 0.452 58.669 58.200 0.028 0.000 1.037 132 S CB 0.323 63.552 63.200 0.048 0.000 0.822 132 S HN 0.542 nan 8.310 nan 0.000 0.513 133 N N 2.770 121.493 118.700 0.039 0.000 2.124 133 N HA 0.020 4.760 4.740 0.000 0.000 0.188 133 N C 0.606 176.143 175.510 0.045 0.000 1.045 133 N CA 0.458 53.529 53.050 0.034 0.000 0.846 133 N CB -0.039 38.466 38.487 0.031 0.000 1.020 133 N HN 0.414 nan 8.380 nan 0.000 0.432 134 K N -0.385 120.052 120.400 0.061 0.000 1.815 134 K HA 0.269 4.589 4.320 0.000 0.000 0.292 134 K C -1.318 175.380 176.600 0.163 0.000 0.932 134 K CA -0.507 55.834 56.287 0.091 0.000 0.802 134 K CB -0.155 32.385 32.500 0.067 0.000 3.215 134 K HN 0.035 nan 8.250 nan 0.000 1.129 135 Y N 1.513 121.826 120.300 0.021 0.000 2.301 135 Y HA 0.396 4.946 4.550 0.000 0.000 0.325 135 Y C -1.265 174.648 175.900 0.022 0.000 1.103 135 Y CA -0.908 57.206 58.100 0.023 0.000 1.182 135 Y CB 0.672 39.145 38.460 0.021 0.000 1.139 135 Y HN 0.152 nan 8.280 nan 0.000 0.443 136 V N 4.439 124.061 119.914 -0.487 0.000 2.973 136 V HA 0.754 4.874 4.120 0.000 0.000 0.314 136 V C 1.047 176.694 176.094 -0.745 0.000 1.066 136 V CA -0.362 61.662 62.300 -0.460 0.000 1.021 136 V CB 1.430 33.144 31.823 -0.182 0.000 1.076 136 V HN 0.958 nan 8.190 nan 0.000 0.462 137 G N 0.536 109.073 108.800 -0.439 0.000 2.716 137 G HA2 0.117 4.077 3.960 0.000 0.000 0.251 137 G HA3 0.117 4.077 3.960 0.000 0.000 0.251 137 G C -0.090 174.718 174.900 -0.153 0.000 1.224 137 G CA -0.530 44.383 45.100 -0.313 0.000 0.891 137 G HN 0.813 nan 8.290 nan 0.000 0.561 138 N N 0.162 118.841 118.700 -0.034 0.000 2.294 138 N HA 0.119 4.860 4.740 0.000 0.000 0.263 138 N C 1.109 176.614 175.510 -0.008 0.000 1.281 138 N CA 0.645 53.704 53.050 0.015 0.000 0.846 138 N CB 0.646 39.153 38.487 0.033 0.000 1.061 138 N HN 0.670 nan 8.380 nan 0.000 0.478 139 S N 1.335 117.038 115.700 0.004 0.000 2.587 139 S HA 0.446 4.916 4.470 0.000 0.000 0.252 139 S C 0.950 175.550 174.600 0.001 0.000 1.282 139 S CA -0.134 58.066 58.200 -0.000 0.000 0.977 139 S CB 0.069 63.277 63.200 0.012 0.000 1.015 139 S HN 0.533 nan 8.310 nan 0.000 0.557 140 G N -0.933 107.868 108.800 0.002 0.000 3.019 140 G HA2 0.568 4.528 3.960 0.000 0.000 0.152 140 G HA3 0.568 4.528 3.960 0.000 0.000 0.152 140 G C -0.702 174.199 174.900 0.002 0.000 1.320 140 G CA -0.484 44.616 45.100 0.001 0.000 1.013 140 G HN 0.767 nan 8.290 nan 0.000 0.593 141 T N 0.369 114.923 114.554 -0.000 0.000 2.952 141 T HA 0.426 4.776 4.350 0.000 0.000 0.286 141 T C -0.584 174.114 174.700 -0.003 0.000 1.024 141 T CA 0.119 62.218 62.100 -0.002 0.000 1.029 141 T CB 1.272 70.139 68.868 -0.003 0.000 1.094 141 T HN 0.536 nan 8.240 nan 0.000 0.515 142 D N 1.607 122.003 120.400 -0.007 0.000 3.091 142 D HA -0.151 4.489 4.640 0.000 0.000 0.215 142 D C -0.238 176.058 176.300 -0.007 0.000 1.214 142 D CA 0.356 54.350 54.000 -0.010 0.000 0.870 142 D CB -0.897 39.899 40.800 -0.007 0.000 0.874 142 D HN 0.517 nan 8.370 nan 0.000 0.393 143 N N 1.404 120.099 118.700 -0.007 0.000 2.320 143 N HA 0.098 4.838 4.740 0.000 0.000 0.237 143 N C 0.209 175.712 175.510 -0.010 0.000 1.129 143 N CA -0.337 52.712 53.050 -0.002 0.000 0.854 143 N CB 0.448 38.940 38.487 0.009 0.000 1.083 143 N HN 0.264 nan 8.380 nan 0.000 0.504 144 R N 1.276 121.763 120.500 -0.022 0.000 2.679 144 R HA 0.267 4.608 4.340 0.000 0.000 0.269 144 R C 0.208 176.492 176.300 -0.027 0.000 1.076 144 R CA 0.002 56.078 56.100 -0.041 0.000 1.160 144 R CB 0.465 30.733 30.300 -0.054 0.000 1.054 144 R HN 0.417 nan 8.270 nan 0.000 0.507 145 E N 0.021 120.198 120.200 -0.038 0.000 2.412 145 E HA 0.173 4.523 4.350 0.000 0.000 0.279 145 E C -1.322 175.270 176.600 -0.014 0.000 0.984 145 E CA -0.991 55.398 56.400 -0.019 0.000 0.788 145 E CB 1.198 30.886 29.700 -0.020 0.000 1.277 145 E HN 0.443 nan 8.360 nan 0.000 0.455 146 C N 2.489 121.793 119.300 0.007 0.000 2.648 146 C HA 0.446 4.906 4.460 0.000 0.000 0.415 146 C C -0.154 174.832 174.990 -0.006 0.000 1.366 146 C CA 0.218 59.246 59.018 0.017 0.000 1.756 146 C CB -1.720 26.031 27.740 0.018 0.000 2.549 146 C HN 0.507 nan 8.230 nan 0.000 0.597 147 I N 6.282 126.847 120.570 -0.008 0.000 2.680 147 I HA 0.291 4.462 4.170 0.000 0.000 0.291 147 I C 0.014 176.119 176.117 -0.020 0.000 1.244 147 I CA -0.013 61.269 61.300 -0.029 0.000 1.042 147 I CB 2.343 40.298 38.000 -0.076 0.000 1.277 147 I HN 0.733 nan 8.210 nan 0.000 0.423 148 S N 6.567 122.252 115.700 -0.025 0.000 2.801 148 S HA 0.969 5.440 4.470 0.000 0.000 0.312 148 S C -0.463 174.115 174.600 -0.036 0.000 1.112 148 S CA -0.743 57.428 58.200 -0.048 0.000 0.943 148 S CB 2.531 65.705 63.200 -0.044 0.000 1.269 148 S HN 0.761 nan 8.310 nan 0.000 0.558 149 M N -0.281 119.270 119.600 -0.081 0.000 3.142 149 M HA 0.335 4.816 4.480 0.000 0.000 0.246 149 M C -2.849 173.351 176.300 -0.167 0.000 0.834 149 M CA -0.701 54.565 55.300 -0.056 0.000 0.808 149 M CB 0.834 33.468 32.600 0.055 0.000 1.572 149 M HN 0.741 nan 8.290 nan 0.000 0.580 150 D N 0.811 121.146 120.400 -0.108 0.000 2.278 150 D HA 0.615 5.255 4.640 0.000 0.000 0.245 150 D C -1.357 174.920 176.300 -0.039 0.000 1.052 150 D CA -0.412 53.514 54.000 -0.125 0.000 0.834 150 D CB 1.159 41.943 40.800 -0.026 0.000 1.194 150 D HN 0.525 nan 8.370 nan 0.000 0.481 151 Y N 0.927 121.276 120.300 0.081 0.000 2.299 151 Y HA 0.105 4.655 4.550 0.000 0.000 0.335 151 Y C 1.584 177.515 175.900 0.052 0.000 1.287 151 Y CA -1.056 57.094 58.100 0.083 0.000 1.424 151 Y CB 0.788 39.322 38.460 0.122 0.000 1.326 151 Y HN 0.420 nan 8.280 nan 0.000 0.567 152 K N 1.969 122.515 120.400 0.243 0.000 2.508 152 K HA -0.102 4.218 4.320 0.000 0.000 0.273 152 K C -0.601 176.093 176.600 0.157 0.000 0.964 152 K CA -0.177 56.189 56.287 0.132 0.000 0.948 152 K CB 0.420 32.975 32.500 0.092 0.000 0.917 152 K HN 0.778 nan 8.250 nan 0.000 0.512 153 Q N 1.704 121.579 119.800 0.124 0.000 2.342 153 Q HA 0.412 4.752 4.340 0.000 0.000 0.267 153 Q C -1.526 174.540 176.000 0.109 0.000 1.038 153 Q CA -0.671 55.207 55.803 0.124 0.000 0.832 153 Q CB 2.170 30.973 28.738 0.107 0.000 1.323 153 Q HN 0.706 nan 8.270 nan 0.000 0.448 154 T N 2.244 116.864 114.554 0.110 0.000 2.868 154 T HA 0.439 4.789 4.350 0.000 0.000 0.306 154 T C -1.293 173.461 174.700 0.091 0.000 1.224 154 T CA -0.866 61.294 62.100 0.100 0.000 1.012 154 T CB 1.780 70.718 68.868 0.117 0.000 1.221 154 T HN 0.634 nan 8.240 nan 0.000 0.499 155 Q N 1.623 121.463 119.800 0.066 0.000 2.709 155 Q HA 0.479 4.820 4.340 0.000 0.000 0.232 155 Q C -1.346 174.703 176.000 0.081 0.000 0.856 155 Q CA -0.553 55.283 55.803 0.054 0.000 0.788 155 Q CB 1.262 29.889 28.738 -0.185 0.000 1.386 155 Q HN 0.612 nan 8.270 nan 0.000 0.453 156 L N -1.443 119.919 121.223 0.232 0.000 2.286 156 L HA 1.017 5.357 4.340 0.000 0.000 0.265 156 L C -0.670 176.417 176.870 0.361 0.000 1.012 156 L CA -1.003 53.974 54.840 0.229 0.000 0.818 156 L CB 2.149 44.337 42.059 0.214 0.000 1.337 156 L HN 0.531 nan 8.230 nan 0.000 0.438 157 C N 2.082 121.560 119.300 0.295 0.000 2.924 157 C HA 0.645 5.105 4.460 0.000 0.000 0.400 157 C C -1.207 173.942 174.990 0.264 0.000 1.032 157 C CA -0.569 58.663 59.018 0.357 0.000 1.236 157 C CB 0.134 28.180 27.740 0.511 0.000 1.660 157 C HN 0.845 nan 8.230 nan 0.000 0.510 158 L N 6.600 127.979 121.223 0.260 0.000 2.322 158 L HA 0.726 5.066 4.340 0.000 0.000 0.281 158 L C -0.509 176.507 176.870 0.244 0.000 1.014 158 L CA -0.727 54.242 54.840 0.214 0.000 0.815 158 L CB 1.378 43.505 42.059 0.113 0.000 1.247 158 L HN 0.421 nan 8.230 nan 0.000 0.421 159 I N 2.406 123.147 120.570 0.285 0.000 2.389 159 I HA 0.772 4.942 4.170 0.000 0.000 0.288 159 I C 0.436 176.494 176.117 -0.097 0.000 0.999 159 I CA -0.251 61.235 61.300 0.311 0.000 1.129 159 I CB 1.217 39.575 38.000 0.597 0.000 1.288 159 I HN 0.765 nan 8.210 nan 0.000 0.444 160 G N 3.460 112.103 108.800 -0.261 0.000 2.660 160 G HA2 0.409 4.369 3.960 0.000 0.000 0.290 160 G HA3 0.409 4.369 3.960 0.000 0.000 0.290 160 G C 0.047 174.725 174.900 -0.370 0.000 1.432 160 G CA -0.377 44.190 45.100 -0.888 0.000 0.807 160 G HN 0.668 nan 8.290 nan 0.000 0.485 161 C N -0.914 118.193 119.300 -0.321 0.000 2.791 161 C HA 0.590 5.050 4.460 0.000 0.000 0.270 161 C C 0.683 175.753 174.990 0.133 0.000 1.257 161 C CA -0.711 58.411 59.018 0.174 0.000 1.699 161 C CB -1.287 26.644 27.740 0.319 0.000 1.904 161 C HN 0.486 nan 8.230 nan 0.000 0.603 162 R N 1.403 121.828 120.500 -0.124 0.000 2.837 162 R HA 0.521 4.861 4.340 0.000 0.000 0.271 162 R C -2.988 172.807 176.300 -0.842 0.000 0.993 162 R CA -1.715 54.144 56.100 -0.402 0.000 0.931 162 R CB 1.179 31.335 30.300 -0.239 0.000 1.206 162 R HN 0.062 nan 8.270 nan 0.000 0.474 163 P HA 0.081 nan 4.420 nan 0.000 0.267 163 P C -2.379 174.604 177.300 -0.529 0.000 1.209 163 P CA -0.956 61.477 63.100 -1.111 0.000 0.763 163 P CB 0.218 31.358 31.700 -0.934 0.000 0.816 164 P HA 0.166 nan 4.420 nan 0.000 0.272 164 P C 0.031 177.164 177.300 -0.278 0.000 1.240 164 P CA -0.072 62.856 63.100 -0.286 0.000 0.791 164 P CB 0.535 32.099 31.700 -0.226 0.000 0.978 165 I N -2.519 117.892 120.570 -0.265 0.000 2.562 165 I HA 0.839 5.009 4.170 0.000 0.000 0.301 165 I C -0.033 175.930 176.117 -0.257 0.000 1.003 165 I CA -0.764 60.392 61.300 -0.241 0.000 1.127 165 I CB 2.089 39.974 38.000 -0.192 0.000 1.304 165 I HN 0.340 nan 8.210 nan 0.000 0.446 166 G N 3.509 112.177 108.800 -0.219 0.000 2.568 166 G HA2 0.731 4.691 3.960 0.000 0.000 0.313 166 G HA3 0.731 4.691 3.960 0.000 0.000 0.313 166 G C -1.558 173.277 174.900 -0.108 0.000 1.227 166 G CA -0.768 44.218 45.100 -0.189 0.000 0.979 166 G HN 0.852 nan 8.290 nan 0.000 0.486 167 E N -0.398 119.765 120.200 -0.063 0.000 2.292 167 E HA 0.583 4.933 4.350 0.000 0.000 0.272 167 E C -1.199 175.350 176.600 -0.085 0.000 0.881 167 E CA -1.033 55.291 56.400 -0.126 0.000 0.754 167 E CB 2.125 31.723 29.700 -0.170 0.000 1.201 167 E HN 0.745 nan 8.360 nan 0.000 0.425 168 H N 0.782 119.710 119.070 -0.237 0.000 3.046 168 H HA 0.273 4.829 4.556 0.000 0.000 0.361 168 H C -1.645 173.536 175.328 -0.245 0.000 1.235 168 H CA -1.283 54.646 56.048 -0.198 0.000 1.146 168 H CB 0.489 30.216 29.762 -0.058 0.000 1.859 168 H HN 0.665 nan 8.280 nan 0.000 0.548 169 W N 1.838 123.113 121.300 -0.041 0.000 2.356 169 W HA 0.480 5.141 4.660 0.000 0.000 0.311 169 W C 0.783 177.263 176.519 -0.065 0.000 1.328 169 W CA 0.224 57.509 57.345 -0.099 0.000 1.251 169 W CB 1.180 30.604 29.460 -0.059 0.000 1.280 169 W HN 0.807 nan 8.180 nan 0.000 0.524 170 G N 2.275 111.158 108.800 0.138 0.000 2.667 170 G HA2 0.402 4.363 3.960 0.000 0.000 0.310 170 G HA3 0.402 4.363 3.960 0.000 0.000 0.310 170 G C -1.411 173.550 174.900 0.101 0.000 1.259 170 G CA -1.104 44.061 45.100 0.108 0.000 1.019 170 G HN 0.315 nan 8.290 nan 0.000 0.496 171 K N 0.135 120.575 120.400 0.066 0.000 2.310 171 K HA 0.437 4.758 4.320 0.000 0.000 0.290 171 K C 0.343 176.964 176.600 0.035 0.000 1.077 171 K CA -0.207 56.104 56.287 0.039 0.000 0.922 171 K CB 0.217 32.733 32.500 0.027 0.000 1.057 171 K HN 0.488 nan 8.250 nan 0.000 0.479 172 G N 2.271 111.091 108.800 0.033 0.000 2.389 172 G HA2 0.168 4.128 3.960 0.000 0.000 0.328 172 G HA3 0.168 4.128 3.960 0.000 0.000 0.328 172 G C -0.581 174.328 174.900 0.015 0.000 1.133 172 G CA -0.519 44.597 45.100 0.027 0.000 0.891 172 G HN 0.551 nan 8.290 nan 0.000 0.485 173 T N 3.822 118.383 114.554 0.012 0.000 2.867 173 T HA 0.260 4.611 4.350 0.000 0.000 0.297 173 T C -1.228 173.476 174.700 0.005 0.000 0.989 173 T CA -0.293 61.811 62.100 0.007 0.000 1.159 173 T CB 0.829 69.700 68.868 0.005 0.000 0.928 173 T HN 0.504 nan 8.240 nan 0.000 0.538 174 P HA 0.250 nan 4.420 nan 0.000 0.274 174 P C -0.130 177.170 177.300 0.001 0.000 1.246 174 P CA -0.622 62.478 63.100 0.001 0.000 0.795 174 P CB 0.609 32.308 31.700 -0.002 0.000 1.006 175 S N 0.033 115.733 115.700 0.000 0.000 2.681 175 S HA 0.103 4.573 4.470 0.000 0.000 0.270 175 S C 0.622 175.222 174.600 -0.000 0.000 1.209 175 S CA -0.831 57.369 58.200 0.001 0.000 0.988 175 S CB 0.102 63.303 63.200 0.001 0.000 1.006 175 S HN 0.528 nan 8.310 nan 0.000 0.558 176 N N 1.488 120.188 118.700 -0.000 0.000 2.429 176 N HA 0.170 4.910 4.740 0.000 0.000 0.298 176 N C 0.041 175.551 175.510 -0.001 0.000 1.256 176 N CA 0.646 53.696 53.050 -0.001 0.000 1.090 176 N CB -0.940 37.547 38.487 -0.001 0.000 1.477 176 N HN 0.751 nan 8.380 nan 0.000 0.491 177 A N 3.124 125.943 122.820 -0.001 0.000 4.087 177 A HA 0.296 4.616 4.320 0.000 0.000 0.137 177 A C -0.744 176.839 177.584 -0.002 0.000 1.114 177 A CA -0.522 51.513 52.037 -0.002 0.000 2.001 177 A CB 0.184 19.183 19.000 -0.002 0.000 2.638 177 A HN 0.489 nan 8.150 nan 0.000 1.123 178 N N 1.495 120.193 118.700 -0.003 0.000 2.525 178 N HA 0.381 5.121 4.740 0.000 0.000 0.271 178 N C -0.249 175.259 175.510 -0.004 0.000 1.194 178 N CA -0.119 52.929 53.050 -0.003 0.000 0.964 178 N CB 0.632 39.116 38.487 -0.004 0.000 1.126 178 N HN 0.552 nan 8.380 nan 0.000 0.452 179 Q N 1.931 121.729 119.800 -0.004 0.000 2.307 179 Q HA 0.142 4.482 4.340 0.000 0.000 0.259 179 Q C -1.008 174.990 176.000 -0.004 0.000 0.998 179 Q CA -0.471 55.330 55.803 -0.004 0.000 0.923 179 Q CB 0.528 29.264 28.738 -0.003 0.000 1.196 179 Q HN 0.401 nan 8.270 nan 0.000 0.416 180 V N 7.119 127.030 119.914 -0.005 0.000 2.359 180 V HA -0.011 4.109 4.120 0.000 0.000 0.248 180 V C 0.702 176.792 176.094 -0.006 0.000 1.091 180 V CA -0.170 62.126 62.300 -0.006 0.000 1.103 180 V CB -0.785 31.034 31.823 -0.007 0.000 1.176 180 V HN 0.645 nan 8.190 nan 0.000 0.488 181 K N 3.759 124.156 120.400 -0.006 0.000 2.180 181 K HA 0.489 4.809 4.320 0.000 0.000 0.251 181 K C 0.263 176.859 176.600 -0.007 0.000 1.014 181 K CA -0.087 56.197 56.287 -0.006 0.000 0.913 181 K CB 0.642 33.139 32.500 -0.005 0.000 1.008 181 K HN 0.439 nan 8.250 nan 0.000 0.490 182 A N 0.079 122.896 122.820 -0.006 0.000 2.498 182 A HA 0.427 4.747 4.320 0.000 0.000 0.239 182 A C 1.186 178.765 177.584 -0.008 0.000 1.068 182 A CA 0.924 52.956 52.037 -0.007 0.000 0.766 182 A CB -0.849 18.147 19.000 -0.007 0.000 1.003 182 A HN 1.203 nan 8.150 nan 0.000 0.497 183 G N 0.852 109.646 108.800 -0.010 0.000 3.141 183 G HA2 -0.151 3.809 3.960 0.000 0.000 0.205 183 G HA3 -0.151 3.809 3.960 0.000 0.000 0.205 183 G C 0.164 175.056 174.900 -0.014 0.000 1.924 183 G CA 0.062 45.155 45.100 -0.011 0.000 1.573 183 G HN 0.882 nan 8.290 nan 0.000 0.591 184 E N 0.402 120.594 120.200 -0.013 0.000 2.609 184 E HA 0.125 4.475 4.350 0.000 0.000 0.278 184 E C 0.524 177.113 176.600 -0.019 0.000 1.115 184 E CA 0.547 56.938 56.400 -0.015 0.000 1.039 184 E CB 0.136 29.828 29.700 -0.013 0.000 1.049 184 E HN 0.941 nan 8.360 nan 0.000 0.466 185 C N 4.388 123.674 119.300 -0.023 0.000 2.239 185 C HA 0.393 4.853 4.460 0.000 0.000 0.325 185 C C -2.069 172.904 174.990 -0.029 0.000 1.231 185 C CA -1.846 57.154 59.018 -0.029 0.000 1.652 185 C CB -0.459 27.259 27.740 -0.036 0.000 2.284 185 C HN 0.394 nan 8.230 nan 0.000 0.499 186 P HA 0.256 nan 4.420 nan 0.000 0.268 186 P C -2.576 174.708 177.300 -0.027 0.000 1.205 186 P CA -0.721 62.367 63.100 -0.020 0.000 0.771 186 P CB 0.268 31.960 31.700 -0.013 0.000 0.858 187 P HA 0.125 nan 4.420 nan 0.000 0.275 187 P C -0.430 176.860 177.300 -0.016 0.000 1.227 187 P CA -0.145 62.939 63.100 -0.027 0.000 0.781 187 P CB 0.654 32.347 31.700 -0.013 0.000 0.906 188 L N 1.842 123.040 121.223 -0.042 0.000 2.431 188 L HA 0.535 4.875 4.340 0.000 0.000 0.260 188 L C 0.780 177.722 176.870 0.119 0.000 1.098 188 L CA -0.138 54.702 54.840 0.000 0.000 0.800 188 L CB -0.126 41.836 42.059 -0.163 0.000 1.210 188 L HN 0.601 nan 8.230 nan 0.000 0.465 189 E N 0.716 121.097 120.200 0.302 0.000 2.347 189 E HA 0.219 4.569 4.350 0.000 0.000 0.285 189 E C -1.831 174.908 176.600 0.231 0.000 0.925 189 E CA -0.728 55.839 56.400 0.279 0.000 0.779 189 E CB 2.302 32.061 29.700 0.098 0.000 1.233 189 E HN 0.380 nan 8.360 nan 0.000 0.414 190 L N 5.732 126.985 121.223 0.051 0.000 2.385 190 L HA 0.319 4.659 4.340 0.000 0.000 0.281 190 L C -1.111 175.545 176.870 -0.357 0.000 1.106 190 L CA 0.189 54.737 54.840 -0.487 0.000 0.856 190 L CB 0.150 41.769 42.059 -0.734 0.000 1.186 190 L HN 0.446 nan 8.230 nan 0.000 0.453 191 L N 4.995 125.937 121.223 -0.467 0.000 2.309 191 L HA 0.500 4.841 4.340 0.000 0.000 0.282 191 L C 0.056 176.742 176.870 -0.305 0.000 1.036 191 L CA -0.713 53.902 54.840 -0.376 0.000 0.806 191 L CB 0.990 42.796 42.059 -0.422 0.000 1.220 191 L HN 0.522 nan 8.230 nan 0.000 0.429 192 N N 1.020 119.618 118.700 -0.170 0.000 2.508 192 N HA 0.520 5.260 4.740 0.000 0.000 0.285 192 N C -0.334 175.141 175.510 -0.057 0.000 1.144 192 N CA -0.098 52.882 53.050 -0.117 0.000 0.978 192 N CB 2.020 40.444 38.487 -0.105 0.000 1.180 192 N HN 0.668 nan 8.380 nan 0.000 0.484 193 T N -1.131 113.388 114.554 -0.058 0.000 2.840 193 T HA 0.343 4.694 4.350 0.000 0.000 0.317 193 T C -1.248 173.376 174.700 -0.127 0.000 1.401 193 T CA -0.589 61.489 62.100 -0.037 0.000 1.028 193 T CB 0.690 69.586 68.868 0.046 0.000 1.317 193 T HN 0.021 nan 8.240 nan 0.000 0.495 194 V N 3.781 123.588 119.914 -0.178 0.000 2.583 194 V HA 0.408 4.528 4.120 0.000 0.000 0.287 194 V C 0.334 176.264 176.094 -0.273 0.000 1.051 194 V CA -0.477 61.634 62.300 -0.315 0.000 1.010 194 V CB 1.045 32.492 31.823 -0.627 0.000 0.988 194 V HN 0.733 nan 8.190 nan 0.000 0.478 195 L N 5.823 126.890 121.223 -0.259 0.000 2.319 195 L HA 0.389 4.729 4.340 0.000 0.000 0.280 195 L C 0.132 176.959 176.870 -0.071 0.000 1.099 195 L CA 0.200 54.874 54.840 -0.276 0.000 0.828 195 L CB 0.706 42.523 42.059 -0.405 0.000 1.150 195 L HN 0.675 nan 8.230 nan 0.000 0.442 196 Q N 1.492 121.250 119.800 -0.069 0.000 2.387 196 Q HA 0.254 4.594 4.340 0.000 0.000 0.273 196 Q C -1.065 174.988 176.000 0.088 0.000 1.089 196 Q CA -0.986 54.862 55.803 0.076 0.000 0.824 196 Q CB 2.368 31.067 28.738 -0.065 0.000 1.367 196 Q HN 0.487 nan 8.270 nan 0.000 0.443 197 D N 0.053 120.563 120.400 0.183 0.000 2.531 197 D HA 0.218 4.859 4.640 0.000 0.000 0.239 197 D C 0.705 177.059 176.300 0.090 0.000 1.144 197 D CA 1.933 56.012 54.000 0.132 0.000 0.869 197 D CB 0.148 41.048 40.800 0.166 0.000 1.160 197 D HN 0.703 nan 8.370 nan 0.000 0.484 198 G N 2.963 111.828 108.800 0.108 0.000 2.148 198 G HA2 -0.193 3.768 3.960 0.000 0.000 0.203 198 G HA3 -0.193 3.768 3.960 0.000 0.000 0.203 198 G C -0.109 174.862 174.900 0.118 0.000 0.993 198 G CA -0.158 45.003 45.100 0.101 0.000 0.661 198 G HN 0.603 nan 8.290 nan 0.000 0.518 199 D N 0.782 121.268 120.400 0.145 0.000 2.329 199 D HA 0.558 5.198 4.640 0.000 0.000 0.246 199 D C 1.123 177.610 176.300 0.311 0.000 1.111 199 D CA -0.010 54.071 54.000 0.135 0.000 0.941 199 D CB 0.657 41.415 40.800 -0.070 0.000 1.169 199 D HN 0.066 nan 8.370 nan 0.000 0.441 200 M N 0.947 120.702 119.600 0.259 0.000 2.314 200 M HA 0.277 4.758 4.480 0.000 0.000 0.342 200 M C 0.224 176.778 176.300 0.423 0.000 1.171 200 M CA -0.897 54.576 55.300 0.288 0.000 1.098 200 M CB 0.986 33.694 32.600 0.179 0.000 1.559 200 M HN 0.065 nan 8.290 nan 0.000 0.459 201 V N -0.287 119.817 119.914 0.316 0.000 3.513 201 V HA 0.391 4.512 4.120 0.000 0.000 0.297 201 V C 0.341 176.599 176.094 0.273 0.000 1.058 201 V CA -1.061 61.436 62.300 0.330 0.000 1.003 201 V CB 0.562 32.419 31.823 0.057 0.000 1.236 201 V HN 0.907 nan 8.190 nan 0.000 0.436 202 D N -0.088 120.493 120.400 0.302 0.000 2.302 202 D HA 0.116 4.756 4.640 0.000 0.000 0.248 202 D C 0.439 176.813 176.300 0.123 0.000 1.094 202 D CA 0.293 54.443 54.000 0.250 0.000 0.897 202 D CB 1.670 42.637 40.800 0.277 0.000 1.200 202 D HN 0.795 nan 8.370 nan 0.000 0.429 203 T N -2.112 112.450 114.554 0.014 0.000 3.174 203 T HA 0.478 4.829 4.350 0.000 0.000 0.269 203 T C 1.224 175.912 174.700 -0.020 0.000 1.017 203 T CA 0.049 62.053 62.100 -0.160 0.000 0.899 203 T CB 0.252 68.583 68.868 -0.894 0.000 1.077 203 T HN 0.798 nan 8.240 nan 0.000 0.552 204 G N 1.085 109.905 108.800 0.034 0.000 2.352 204 G HA2 -0.167 3.793 3.960 0.000 0.000 0.204 204 G HA3 -0.167 3.793 3.960 0.000 0.000 0.204 204 G C 0.276 175.054 174.900 -0.203 0.000 1.004 204 G CA -0.300 44.749 45.100 -0.085 0.000 0.648 204 G HN 0.464 nan 8.290 nan 0.000 0.491 205 F N 2.185 122.196 119.950 0.101 0.000 2.653 205 F HA 0.514 5.041 4.527 0.000 0.000 0.304 205 F C 1.517 177.493 175.800 0.295 0.000 1.092 205 F CA 1.061 59.182 58.000 0.202 0.000 1.279 205 F CB 1.228 40.333 39.000 0.175 0.000 1.044 205 F HN 0.850 nan 8.300 nan 0.000 0.564 206 G N 0.734 109.751 108.800 0.361 0.000 2.603 206 G HA2 0.207 4.168 3.960 0.000 0.000 0.686 206 G HA3 0.207 4.168 3.960 0.000 0.000 0.686 206 G C -1.036 174.073 174.900 0.349 0.000 1.286 206 G CA -0.724 44.558 45.100 0.303 0.000 0.871 206 G HN 0.502 nan 8.290 nan 0.000 0.568 207 A N 0.515 123.514 122.820 0.297 0.000 2.322 207 A HA 0.857 5.177 4.320 0.000 0.000 0.327 207 A C 0.442 178.175 177.584 0.248 0.000 1.394 207 A CA 0.808 53.014 52.037 0.283 0.000 0.921 207 A CB -0.222 18.939 19.000 0.267 0.000 1.153 207 A HN 2.046 nan 8.150 nan 0.000 0.523 208 M N 0.498 120.164 119.600 0.109 0.000 3.502 208 M HA 0.726 5.206 4.480 0.000 0.000 0.310 208 M C -1.785 174.377 176.300 -0.229 0.000 1.458 208 M CA -0.796 54.480 55.300 -0.041 0.000 0.782 208 M CB 1.437 33.905 32.600 -0.221 0.000 1.942 208 M HN 0.309 nan 8.290 nan 0.000 0.438 209 D N 0.087 120.317 120.400 -0.283 0.000 2.542 209 D HA 0.400 5.040 4.640 0.000 0.000 0.252 209 D C -0.972 175.205 176.300 -0.206 0.000 1.222 209 D CA -0.477 53.443 54.000 -0.134 0.000 0.895 209 D CB 1.007 41.818 40.800 0.017 0.000 1.207 209 D HN 0.573 nan 8.370 nan 0.000 0.558 210 F N 1.361 121.327 119.950 0.026 0.000 2.615 210 F HA -0.010 4.518 4.527 0.000 0.000 0.297 210 F C 2.395 178.194 175.800 -0.002 0.000 1.124 210 F CA 0.658 58.662 58.000 0.007 0.000 1.451 210 F CB 0.012 38.998 39.000 -0.022 0.000 1.103 210 F HN 0.339 nan 8.300 nan 0.000 0.569 211 T N -1.723 112.906 114.554 0.125 0.000 2.701 211 T HA -0.199 4.152 4.350 0.000 0.000 0.263 211 T C 2.236 176.960 174.700 0.040 0.000 1.040 211 T CA 1.916 64.061 62.100 0.074 0.000 1.147 211 T CB -1.021 67.882 68.868 0.059 0.000 0.865 211 T HN 0.383 nan 8.240 nan 0.000 0.426 212 T N 0.880 115.450 114.554 0.027 0.000 2.857 212 T HA 0.032 4.383 4.350 0.000 0.000 0.266 212 T C 1.850 176.551 174.700 0.001 0.000 1.048 212 T CA 0.550 62.659 62.100 0.015 0.000 1.139 212 T CB -0.499 68.382 68.868 0.022 0.000 0.874 212 T HN 0.086 nan 8.240 nan 0.000 0.455 213 L N 0.983 122.195 121.223 -0.017 0.000 2.341 213 L HA 0.345 4.685 4.340 0.000 0.000 0.214 213 L C 1.125 177.981 176.870 -0.023 0.000 1.115 213 L CA 1.100 55.917 54.840 -0.038 0.000 0.820 213 L CB -0.690 41.315 42.059 -0.090 0.000 0.944 213 L HN 0.476 nan 8.230 nan 0.000 0.452 214 Q N -1.224 118.579 119.800 0.005 0.000 2.454 214 Q HA 0.469 4.809 4.340 0.000 0.000 0.255 214 Q C 0.825 176.831 176.000 0.009 0.000 1.034 214 Q CA 0.050 55.862 55.803 0.016 0.000 0.736 214 Q CB 1.669 30.443 28.738 0.060 0.000 1.210 214 Q HN 0.152 nan 8.270 nan 0.000 0.500 215 A N 3.474 126.290 122.820 -0.006 0.000 1.841 215 A HA -0.261 4.059 4.320 0.000 0.000 0.216 215 A C 1.828 179.404 177.584 -0.012 0.000 1.199 215 A CA 2.137 54.170 52.037 -0.008 0.000 0.621 215 A CB -0.629 18.363 19.000 -0.013 0.000 0.835 215 A HN 0.881 nan 8.150 nan 0.000 0.445 216 N N 1.251 119.934 118.700 -0.028 0.000 2.242 216 N HA -0.303 4.438 4.740 0.000 0.000 0.191 216 N C 0.662 176.147 175.510 -0.042 0.000 1.005 216 N CA 1.993 55.018 53.050 -0.041 0.000 0.877 216 N CB -0.837 37.610 38.487 -0.066 0.000 0.983 216 N HN 0.788 nan 8.380 nan 0.000 0.439 217 K N -2.045 118.335 120.400 -0.032 0.000 3.012 217 K HA -0.185 4.136 4.320 0.000 0.000 0.259 217 K C -0.441 176.131 176.600 -0.047 0.000 0.989 217 K CA 1.131 57.411 56.287 -0.012 0.000 0.728 217 K CB -2.371 30.146 32.500 0.028 0.000 1.260 217 K HN 0.245 nan 8.250 nan 0.000 0.480 218 S N 0.173 115.751 115.700 -0.203 0.000 2.817 218 S HA 0.022 4.492 4.470 0.000 0.000 0.262 218 S C -0.295 173.973 174.600 -0.553 0.000 1.051 218 S CA 0.128 58.031 58.200 -0.496 0.000 1.185 218 S CB 0.480 63.468 63.200 -0.353 0.000 1.152 218 S HN 0.609 nan 8.310 nan 0.000 0.653 219 D N 2.048 122.218 120.400 -0.384 0.000 2.894 219 D HA 0.364 5.004 4.640 0.000 0.000 0.273 219 D C -0.154 175.835 176.300 -0.519 0.000 1.328 219 D CA -0.552 53.179 54.000 -0.449 0.000 0.845 219 D CB 0.082 40.620 40.800 -0.437 0.000 1.072 219 D HN 0.169 nan 8.370 nan 0.000 0.484 220 V N -5.051 114.581 119.914 -0.471 0.000 2.971 220 V HA 0.458 4.578 4.120 0.000 0.000 0.281 220 V C -3.142 172.788 176.094 -0.272 0.000 1.470 220 V CA -2.007 59.945 62.300 -0.580 0.000 0.966 220 V CB 1.465 32.789 31.823 -0.832 0.000 1.156 220 V HN -0.232 nan 8.190 nan 0.000 0.441 221 P HA 0.115 nan 4.420 nan 0.000 0.269 221 P C 1.337 178.628 177.300 -0.015 0.000 1.205 221 P CA -0.079 63.009 63.100 -0.021 0.000 0.780 221 P CB 0.434 32.130 31.700 -0.006 0.000 0.858 222 L N 2.170 123.365 121.223 -0.047 0.000 1.997 222 L HA -0.236 4.104 4.340 0.000 0.000 0.216 222 L C 1.771 178.678 176.870 0.061 0.000 1.074 222 L CA 2.605 57.439 54.840 -0.009 0.000 0.763 222 L CB -2.249 39.802 42.059 -0.013 0.000 0.890 222 L HN 0.485 nan 8.230 nan 0.000 0.434 223 D N 0.479 120.927 120.400 0.080 0.000 2.362 223 D HA -0.229 4.411 4.640 0.000 0.000 0.215 223 D C 1.644 178.003 176.300 0.099 0.000 0.978 223 D CA 1.701 55.809 54.000 0.178 0.000 0.921 223 D CB -0.448 40.525 40.800 0.288 0.000 0.895 223 D HN 0.713 nan 8.370 nan 0.000 0.494 224 I N -3.096 117.464 120.570 -0.017 0.000 4.607 224 I HA 0.169 4.340 4.170 0.000 0.000 0.324 224 I C 2.090 178.104 176.117 -0.171 0.000 1.279 224 I CA -0.173 61.048 61.300 -0.131 0.000 1.286 224 I CB -0.148 37.640 38.000 -0.353 0.000 1.265 224 I HN 0.123 nan 8.210 nan 0.000 0.446 225 C N 1.675 120.876 119.300 -0.166 0.000 2.396 225 C HA -0.110 4.350 4.460 0.000 0.000 0.277 225 C C 2.250 177.289 174.990 0.082 0.000 1.231 225 C CA 0.845 59.825 59.018 -0.064 0.000 1.775 225 C CB -2.056 25.688 27.740 0.006 0.000 2.036 225 C HN 0.730 nan 8.230 nan 0.000 0.484 226 S N 0.046 115.792 115.700 0.076 0.000 2.489 226 S HA 0.610 5.080 4.470 0.000 0.000 0.237 226 S C -0.066 174.593 174.600 0.100 0.000 1.220 226 S CA -0.103 58.148 58.200 0.085 0.000 1.231 226 S CB -0.233 62.999 63.200 0.053 0.000 0.900 226 S HN 0.685 nan 8.310 nan 0.000 0.492 227 S N 0.446 116.242 115.700 0.159 0.000 2.790 227 S HA 0.619 5.090 4.470 0.000 0.000 0.292 227 S C -1.236 173.486 174.600 0.204 0.000 1.197 227 S CA -0.919 57.367 58.200 0.142 0.000 0.851 227 S CB 0.920 64.192 63.200 0.120 0.000 1.217 227 S HN 0.468 nan 8.310 nan 0.000 0.526 228 I N 1.142 121.778 120.570 0.110 0.000 2.418 228 I HA 0.347 4.518 4.170 0.000 0.000 0.287 228 I C -1.041 175.138 176.117 0.104 0.000 1.008 228 I CA -0.402 60.903 61.300 0.009 0.000 1.104 228 I CB 1.405 39.240 38.000 -0.276 0.000 1.264 228 I HN 0.484 nan 8.210 nan 0.000 0.438 229 C N 6.430 125.878 119.300 0.247 0.000 2.281 229 C HA 0.293 4.754 4.460 0.000 0.000 0.336 229 C C 0.604 175.729 174.990 0.225 0.000 1.217 229 C CA -0.732 58.460 59.018 0.289 0.000 1.730 229 C CB -0.513 27.504 27.740 0.463 0.000 2.338 229 C HN 0.646 nan 8.230 nan 0.000 0.521 230 K N 2.308 122.821 120.400 0.188 0.000 2.144 230 K HA 0.388 4.708 4.320 0.000 0.000 0.270 230 K C -0.962 175.821 176.600 0.304 0.000 1.005 230 K CA -0.282 56.090 56.287 0.141 0.000 0.932 230 K CB 1.205 33.631 32.500 -0.122 0.000 1.021 230 K HN 0.641 nan 8.250 nan 0.000 0.462 231 Y N 2.947 123.316 120.300 0.116 0.000 2.331 231 Y HA 0.281 4.831 4.550 0.000 0.000 0.334 231 Y C -2.532 173.380 175.900 0.021 0.000 0.960 231 Y CA -2.585 55.599 58.100 0.140 0.000 1.130 231 Y CB 1.535 40.074 38.460 0.131 0.000 1.164 231 Y HN 0.446 nan 8.280 nan 0.000 0.458 232 P HA -0.080 nan 4.420 nan 0.000 0.262 232 P C -0.686 176.238 177.300 -0.627 0.000 1.182 232 P CA 0.485 63.167 63.100 -0.696 0.000 0.761 232 P CB 0.498 31.494 31.700 -1.172 0.000 0.795 233 D N 3.087 123.245 120.400 -0.403 0.000 2.558 233 D HA 0.017 4.657 4.640 0.000 0.000 0.221 233 D C 0.547 176.688 176.300 -0.265 0.000 1.143 233 D CA -0.074 53.800 54.000 -0.211 0.000 1.010 233 D CB -0.251 40.451 40.800 -0.164 0.000 1.068 233 D HN 0.323 nan 8.370 nan 0.000 0.511 234 Y N 1.219 121.461 120.300 -0.096 0.000 2.207 234 Y HA -0.180 4.370 4.550 0.000 0.000 0.287 234 Y C 2.298 178.135 175.900 -0.105 0.000 1.156 234 Y CA 0.845 58.855 58.100 -0.151 0.000 1.182 234 Y CB 0.016 38.433 38.460 -0.072 0.000 0.979 234 Y HN 0.342 nan 8.280 nan 0.000 0.521 235 L N -0.209 121.074 121.223 0.101 0.000 2.083 235 L HA -0.239 4.101 4.340 0.000 0.000 0.209 235 L C 2.497 179.370 176.870 0.004 0.000 1.083 235 L CA 1.492 56.370 54.840 0.063 0.000 0.752 235 L CB -0.309 41.794 42.059 0.073 0.000 0.899 235 L HN 0.168 nan 8.230 nan 0.000 0.433 236 K N -0.245 120.134 120.400 -0.035 0.000 2.007 236 K HA -0.123 4.197 4.320 0.000 0.000 0.206 236 K C 2.218 178.782 176.600 -0.061 0.000 1.047 236 K CA 1.160 57.417 56.287 -0.050 0.000 0.937 236 K CB -0.021 32.435 32.500 -0.074 0.000 0.718 236 K HN 0.114 nan 8.250 nan 0.000 0.438 237 M N 0.381 119.915 119.600 -0.110 0.000 2.108 237 M HA -0.191 4.290 4.480 0.000 0.000 0.261 237 M C 2.059 178.310 176.300 -0.080 0.000 1.066 237 M CA 1.343 56.567 55.300 -0.127 0.000 1.107 237 M CB -0.109 32.355 32.600 -0.226 0.000 1.356 237 M HN 0.026 nan 8.290 nan 0.000 0.406 238 V N -1.094 118.776 119.914 -0.074 0.000 2.626 238 V HA -0.174 3.947 4.120 0.000 0.000 0.252 238 V C 2.015 178.115 176.094 0.010 0.000 1.067 238 V CA 1.599 63.874 62.300 -0.041 0.000 1.081 238 V CB -0.130 31.680 31.823 -0.022 0.000 0.686 238 V HN 0.383 nan 8.190 nan 0.000 0.468 239 S N -1.331 114.376 115.700 0.011 0.000 2.535 239 S HA 0.071 4.541 4.470 0.000 0.000 0.214 239 S C 0.850 175.476 174.600 0.042 0.000 0.980 239 S CA -0.248 57.970 58.200 0.030 0.000 0.907 239 S CB -0.106 63.108 63.200 0.023 0.000 0.790 239 S HN 0.775 nan 8.310 nan 0.000 0.510 240 E N 3.134 123.359 120.200 0.042 0.000 2.384 240 E HA 0.033 4.383 4.350 0.000 0.000 0.266 240 E C -1.404 175.262 176.600 0.111 0.000 1.012 240 E CA -1.409 55.030 56.400 0.066 0.000 0.901 240 E CB 0.790 30.526 29.700 0.061 0.000 0.967 240 E HN 0.062 nan 8.360 nan 0.000 0.435 241 P HA -0.219 nan 4.420 nan 0.000 0.214 241 P C 0.809 178.161 177.300 0.085 0.000 1.163 241 P CA 1.570 64.689 63.100 0.032 0.000 0.883 241 P CB -0.127 31.503 31.700 -0.116 0.000 0.788 242 Y N 0.201 120.589 120.300 0.147 0.000 2.263 242 Y HA 0.156 4.706 4.550 0.000 0.000 0.292 242 Y C 1.830 177.901 175.900 0.286 0.000 1.130 242 Y CA 1.268 59.490 58.100 0.203 0.000 1.179 242 Y CB -1.063 37.478 38.460 0.135 0.000 0.998 242 Y HN 0.083 nan 8.280 nan 0.000 0.532 243 G N 0.939 109.940 108.800 0.335 0.000 2.385 243 G HA2 -0.239 3.721 3.960 0.000 0.000 0.294 243 G HA3 -0.239 3.721 3.960 0.000 0.000 0.294 243 G C 0.064 175.140 174.900 0.293 0.000 1.070 243 G CA 0.462 45.723 45.100 0.268 0.000 1.172 243 G HN 0.398 nan 8.290 nan 0.000 0.516 244 D N -0.276 120.244 120.400 0.199 0.000 2.379 244 D HA 0.065 4.705 4.640 0.000 0.000 0.218 244 D C 2.366 178.616 176.300 -0.084 0.000 1.006 244 D CA 0.586 54.688 54.000 0.170 0.000 0.893 244 D CB 0.013 40.915 40.800 0.170 0.000 1.019 244 D HN 0.452 nan 8.370 nan 0.000 0.503 245 M N 0.790 120.345 119.600 -0.074 0.000 2.110 245 M HA -0.173 4.308 4.480 0.000 0.000 0.257 245 M C -0.139 175.999 176.300 -0.271 0.000 1.071 245 M CA 1.666 56.865 55.300 -0.169 0.000 1.096 245 M CB 0.025 32.546 32.600 -0.131 0.000 1.300 245 M HN 0.032 nan 8.290 nan 0.000 0.411 246 L N -2.978 118.101 121.223 -0.239 0.000 2.455 246 L HA 0.492 4.832 4.340 0.000 0.000 0.264 246 L C -1.096 175.726 176.870 -0.080 0.000 0.968 246 L CA -0.908 53.775 54.840 -0.260 0.000 0.827 246 L CB 1.170 43.131 42.059 -0.163 0.000 1.317 246 L HN 0.218 nan 8.230 nan 0.000 0.407 247 F N 1.210 121.280 119.950 0.201 0.000 2.814 247 F HA 0.809 5.336 4.527 0.000 0.000 0.326 247 F C -0.611 175.407 175.800 0.364 0.000 1.159 247 F CA -1.754 56.384 58.000 0.230 0.000 1.234 247 F CB -0.177 38.942 39.000 0.199 0.000 1.016 247 F HN 0.468 nan 8.300 nan 0.000 0.510 248 F N 1.542 121.734 119.950 0.403 0.000 2.767 248 F HA 0.498 5.026 4.527 0.000 0.000 0.317 248 F C -2.030 174.015 175.800 0.409 0.000 1.119 248 F CA -1.658 56.556 58.000 0.357 0.000 0.971 248 F CB 0.645 39.825 39.000 0.301 0.000 1.251 248 F HN 0.174 nan 8.300 nan 0.000 0.450 249 Y N 2.885 122.726 120.300 -0.766 0.000 2.702 249 Y HA 0.801 5.351 4.550 0.000 0.000 0.336 249 Y C -2.436 173.081 175.900 -0.639 0.000 1.203 249 Y CA -1.701 56.106 58.100 -0.488 0.000 1.072 249 Y CB 1.510 39.922 38.460 -0.081 0.000 1.327 249 Y HN 0.642 nan 8.280 nan 0.000 0.456 250 L N 2.839 123.830 121.223 -0.387 0.000 2.505 250 L HA 0.631 4.972 4.340 0.000 0.000 0.266 250 L C -1.156 175.610 176.870 -0.173 0.000 0.954 250 L CA -0.817 53.762 54.840 -0.435 0.000 0.852 250 L CB 2.506 44.336 42.059 -0.381 0.000 1.282 250 L HN 0.828 nan 8.230 nan 0.000 0.403 251 R N 1.712 122.091 120.500 -0.203 0.000 2.832 251 R HA 0.913 5.253 4.340 0.000 0.000 0.271 251 R C -0.702 175.536 176.300 -0.104 0.000 0.996 251 R CA -1.034 55.018 56.100 -0.080 0.000 0.977 251 R CB 1.859 32.083 30.300 -0.127 0.000 1.168 251 R HN 0.453 nan 8.270 nan 0.000 0.482 252 R N 0.966 121.439 120.500 -0.046 0.000 2.810 252 R HA 0.144 4.485 4.340 0.000 0.000 0.280 252 R C -1.469 174.840 176.300 0.014 0.000 1.517 252 R CA -0.281 55.794 56.100 -0.043 0.000 1.063 252 R CB 1.033 31.284 30.300 -0.082 0.000 1.275 252 R HN 0.949 nan 8.270 nan 0.000 0.464 253 E N 3.414 123.641 120.200 0.045 0.000 2.227 253 E HA 0.437 4.788 4.350 0.000 0.000 0.268 253 E C -1.312 175.328 176.600 0.067 0.000 0.907 253 E CA -1.079 55.371 56.400 0.084 0.000 0.786 253 E CB 2.556 32.342 29.700 0.143 0.000 1.191 253 E HN 0.511 nan 8.360 nan 0.000 0.411 254 Q N 2.615 122.460 119.800 0.076 0.000 2.468 254 Q HA 0.523 4.863 4.340 0.000 0.000 0.263 254 Q C -1.175 174.883 176.000 0.096 0.000 0.979 254 Q CA -0.928 54.920 55.803 0.075 0.000 0.932 254 Q CB 1.976 30.752 28.738 0.065 0.000 1.462 254 Q HN 0.661 nan 8.270 nan 0.000 0.403 255 M N 2.285 121.948 119.600 0.104 0.000 3.147 255 M HA 0.767 5.247 4.480 0.000 0.000 0.276 255 M C -2.088 174.283 176.300 0.118 0.000 1.211 255 M CA -0.510 54.847 55.300 0.096 0.000 0.820 255 M CB 1.923 34.539 32.600 0.026 0.000 1.621 255 M HN 1.094 nan 8.290 nan 0.000 0.507 256 F N -0.270 119.689 119.950 0.015 0.000 2.773 256 F HA 0.710 5.237 4.527 0.000 0.000 0.314 256 F C -1.593 174.201 175.800 -0.010 0.000 1.160 256 F CA -1.034 56.964 58.000 -0.003 0.000 0.920 256 F CB 0.517 39.513 39.000 -0.006 0.000 1.323 256 F HN 0.340 nan 8.300 nan 0.000 0.457 257 V N 2.637 122.512 119.914 -0.065 0.000 2.326 257 V HA 0.321 4.441 4.120 0.000 0.000 0.249 257 V C 1.274 177.292 176.094 -0.126 0.000 1.114 257 V CA -0.177 62.043 62.300 -0.134 0.000 1.028 257 V CB -0.091 31.706 31.823 -0.043 0.000 1.170 257 V HN 0.952 nan 8.190 nan 0.000 0.494 258 R N 2.741 123.067 120.500 -0.290 0.000 2.070 258 R HA -0.043 4.298 4.340 0.000 0.000 0.233 258 R C 0.373 176.685 176.300 0.020 0.000 1.137 258 R CA 1.704 57.778 56.100 -0.043 0.000 0.945 258 R CB -0.130 30.172 30.300 0.005 0.000 0.845 258 R HN 0.811 nan 8.270 nan 0.000 0.430 259 H N -2.327 116.616 119.070 -0.211 0.000 2.980 259 H HA 0.493 5.049 4.556 0.000 0.000 0.367 259 H C -1.362 173.632 175.328 -0.557 0.000 1.206 259 H CA -0.667 55.135 56.048 -0.410 0.000 1.126 259 H CB 1.601 31.018 29.762 -0.574 0.000 1.838 259 H HN -0.033 nan 8.280 nan 0.000 0.552 260 L N 2.791 123.645 121.223 -0.615 0.000 2.325 260 L HA 0.513 4.853 4.340 0.000 0.000 0.281 260 L C -0.988 175.451 176.870 -0.718 0.000 1.004 260 L CA -0.346 54.166 54.840 -0.548 0.000 0.823 260 L CB 0.861 42.693 42.059 -0.378 0.000 1.236 260 L HN 0.387 nan 8.230 nan 0.000 0.415 261 F N 0.880 120.596 119.950 -0.390 0.000 2.654 261 F HA 0.412 4.939 4.527 0.000 0.000 0.334 261 F C 0.180 175.959 175.800 -0.034 0.000 1.078 261 F CA -0.807 56.992 58.000 -0.335 0.000 0.986 261 F CB 2.141 40.645 39.000 -0.826 0.000 1.362 261 F HN 0.399 nan 8.300 nan 0.000 0.498 262 N N 0.718 119.683 118.700 0.442 0.000 2.372 262 N HA 0.324 5.064 4.740 0.000 0.000 0.291 262 N C -0.946 174.865 175.510 0.502 0.000 1.024 262 N CA -0.814 52.519 53.050 0.472 0.000 0.873 262 N CB 1.021 39.715 38.487 0.344 0.000 1.206 262 N HN 0.332 nan 8.380 nan 0.000 0.486 263 R N 1.127 121.881 120.500 0.424 0.000 2.615 263 R HA 0.434 4.775 4.340 0.000 0.000 0.270 263 R C -0.292 176.075 176.300 0.112 0.000 1.081 263 R CA -0.302 55.928 56.100 0.216 0.000 1.154 263 R CB 0.760 31.099 30.300 0.064 0.000 1.063 263 R HN 0.498 nan 8.270 nan 0.000 0.519 264 A N -0.226 122.621 122.820 0.045 0.000 2.299 264 A HA 0.764 5.084 4.320 0.000 0.000 0.332 264 A C 0.002 177.585 177.584 -0.002 0.000 1.131 264 A CA -0.013 52.040 52.037 0.026 0.000 0.844 264 A CB 1.356 20.364 19.000 0.013 0.000 1.251 264 A HN 0.820 nan 8.150 nan 0.000 0.486 265 G N -0.321 108.478 108.800 -0.001 0.000 2.650 265 G HA2 0.383 4.343 3.960 0.000 0.000 0.686 265 G HA3 0.383 4.343 3.960 0.000 0.000 0.686 265 G C -0.151 174.744 174.900 -0.009 0.000 1.205 265 G CA -0.193 44.901 45.100 -0.011 0.000 0.781 265 G HN 2.129 nan 8.290 nan 0.000 0.648 266 T N -1.650 112.898 114.554 -0.010 0.000 2.940 266 T HA 0.446 4.796 4.350 0.000 0.000 0.309 266 T C 0.677 175.367 174.700 -0.016 0.000 1.056 266 T CA -0.045 62.049 62.100 -0.009 0.000 1.137 266 T CB 1.506 70.369 68.868 -0.007 0.000 0.976 266 T HN 1.469 nan 8.240 nan 0.000 0.547 267 V N 4.253 124.154 119.914 -0.020 0.000 2.432 267 V HA 0.418 4.538 4.120 0.000 0.000 0.271 267 V C 1.631 177.711 176.094 -0.025 0.000 1.046 267 V CA 0.259 62.541 62.300 -0.030 0.000 0.945 267 V CB 0.517 32.313 31.823 -0.044 0.000 0.992 267 V HN 1.194 nan 8.190 nan 0.000 0.471 268 G N 4.499 113.283 108.800 -0.025 0.000 2.505 268 G HA2 -0.099 3.861 3.960 0.000 0.000 0.214 268 G HA3 -0.099 3.861 3.960 0.000 0.000 0.214 268 G C 0.436 175.325 174.900 -0.018 0.000 1.237 268 G CA -0.004 45.084 45.100 -0.020 0.000 0.802 268 G HN 0.732 nan 8.290 nan 0.000 0.549 269 E N 1.991 122.178 120.200 -0.022 0.000 1.858 269 E HA 0.341 4.691 4.350 0.000 0.000 0.267 269 E C 0.362 176.952 176.600 -0.017 0.000 1.215 269 E CA -0.206 56.184 56.400 -0.017 0.000 0.952 269 E CB 0.297 29.985 29.700 -0.020 0.000 1.058 269 E HN 0.401 nan 8.360 nan 0.000 0.407 270 T N -1.091 113.459 114.554 -0.007 0.000 2.903 270 T HA 0.078 4.428 4.350 0.000 0.000 0.314 270 T C 0.618 175.329 174.700 0.018 0.000 1.078 270 T CA -0.928 61.172 62.100 -0.000 0.000 1.114 270 T CB 0.754 69.631 68.868 0.015 0.000 0.987 270 T HN 0.082 nan 8.240 nan 0.000 0.548 271 V N 4.795 124.722 119.914 0.022 0.000 2.479 271 V HA 0.192 4.313 4.120 0.000 0.000 0.281 271 V C -1.732 174.461 176.094 0.166 0.000 1.031 271 V CA -1.387 60.948 62.300 0.059 0.000 1.038 271 V CB -0.038 31.769 31.823 -0.027 0.000 0.981 271 V HN 0.840 nan 8.190 nan 0.000 0.478 272 P HA 0.039 nan 4.420 nan 0.000 0.258 272 P C 0.670 178.066 177.300 0.159 0.000 1.187 272 P CA 0.217 63.385 63.100 0.113 0.000 0.767 272 P CB 0.588 32.329 31.700 0.069 0.000 0.770 273 A N 4.192 127.050 122.820 0.063 0.000 2.186 273 A HA -0.182 4.138 4.320 0.000 0.000 0.219 273 A C 1.499 178.859 177.584 -0.373 0.000 1.159 273 A CA 1.542 53.446 52.037 -0.222 0.000 0.680 273 A CB -0.701 18.175 19.000 -0.205 0.000 0.787 273 A HN 0.625 nan 8.150 nan 0.000 0.467 274 D N -0.632 119.684 120.400 -0.141 0.000 2.340 274 D HA 0.017 4.657 4.640 0.000 0.000 0.220 274 D C 1.306 177.574 176.300 -0.052 0.000 1.039 274 D CA 0.127 54.059 54.000 -0.114 0.000 0.866 274 D CB -0.123 40.643 40.800 -0.058 0.000 0.913 274 D HN 0.499 nan 8.370 nan 0.000 0.523 275 L N -0.414 120.825 121.223 0.026 0.000 2.585 275 L HA 0.136 4.476 4.340 0.000 0.000 0.226 275 L C 0.069 177.078 176.870 0.231 0.000 1.113 275 L CA 0.060 54.982 54.840 0.137 0.000 0.876 275 L CB 0.031 42.203 42.059 0.188 0.000 1.072 275 L HN 0.121 nan 8.230 nan 0.000 0.468 276 Y N -3.344 116.952 120.300 -0.006 0.000 2.705 276 Y HA 0.587 5.137 4.550 0.000 0.000 0.332 276 Y C -0.837 175.057 175.900 -0.011 0.000 1.221 276 Y CA -1.585 56.510 58.100 -0.008 0.000 1.059 276 Y CB 0.924 39.377 38.460 -0.011 0.000 1.298 276 Y HN -0.297 nan 8.280 nan 0.000 0.459 277 I N 2.647 123.274 120.570 0.095 0.000 2.354 277 I HA 0.254 4.425 4.170 0.000 0.000 0.292 277 I C -0.441 175.717 176.117 0.068 0.000 0.989 277 I CA -1.262 60.021 61.300 -0.028 0.000 1.188 277 I CB 1.395 39.400 38.000 0.009 0.000 1.342 277 I HN 0.443 nan 8.210 nan 0.000 0.457 278 K N 4.807 125.177 120.400 -0.050 0.000 2.364 278 K HA -0.036 4.284 4.320 0.000 0.000 0.265 278 K C 0.184 176.831 176.600 0.078 0.000 1.189 278 K CA 0.085 56.396 56.287 0.040 0.000 1.224 278 K CB -0.095 32.391 32.500 -0.022 0.000 0.813 278 K HN 0.861 nan 8.250 nan 0.000 0.490 279 G N 2.452 111.325 108.800 0.122 0.000 2.343 279 G HA2 0.151 4.111 3.960 0.000 0.000 0.319 279 G HA3 0.151 4.111 3.960 0.000 0.000 0.319 279 G C -0.088 174.839 174.900 0.045 0.000 1.126 279 G CA -0.431 44.705 45.100 0.061 0.000 0.889 279 G HN 0.487 nan 8.290 nan 0.000 0.457 280 T N 1.279 115.854 114.554 0.035 0.000 2.939 280 T HA 0.273 4.623 4.350 0.000 0.000 0.319 280 T C 0.817 175.546 174.700 0.047 0.000 1.082 280 T CA 1.391 63.514 62.100 0.039 0.000 1.133 280 T CB -0.211 68.678 68.868 0.035 0.000 1.019 280 T HN 1.236 nan 8.240 nan 0.000 0.548 281 T N 1.766 116.358 114.554 0.063 0.000 2.995 281 T HA 0.176 4.526 4.350 0.000 0.000 0.456 281 T C -0.048 174.723 174.700 0.118 0.000 0.777 281 T CA 0.493 62.654 62.100 0.101 0.000 2.404 281 T CB -1.850 67.096 68.868 0.130 0.000 1.682 281 T HN 1.503 nan 8.240 nan 0.000 0.624 282 G N 0.461 109.325 108.800 0.106 0.000 2.386 282 G HA2 0.460 4.421 3.960 0.000 0.000 0.302 282 G HA3 0.460 4.421 3.960 0.000 0.000 0.302 282 G C -0.205 174.742 174.900 0.079 0.000 1.629 282 G CA -0.054 45.111 45.100 0.108 0.000 0.917 282 G HN 0.405 nan 8.290 nan 0.000 0.676 283 T N 1.212 115.820 114.554 0.089 0.000 3.215 283 T HA 0.422 4.772 4.350 0.000 0.000 0.271 283 T C 0.259 174.972 174.700 0.022 0.000 1.012 283 T CA 0.149 62.284 62.100 0.058 0.000 0.899 283 T CB -0.337 68.567 68.868 0.061 0.000 1.089 283 T HN 1.631 nan 8.240 nan 0.000 0.552 284 L N 2.710 123.918 121.223 -0.024 0.000 2.785 284 L HA -0.082 4.258 4.340 0.000 0.000 0.590 284 L C -2.122 174.708 176.870 -0.067 0.000 1.000 284 L CA -0.567 54.205 54.840 -0.114 0.000 1.306 284 L CB -0.615 41.341 42.059 -0.172 0.000 1.738 284 L HN 0.135 nan 8.230 nan 0.000 0.846 285 P HA 0.113 nan 4.420 nan 0.000 0.270 285 P C -0.068 177.222 177.300 -0.017 0.000 1.223 285 P CA -0.020 63.095 63.100 0.025 0.000 0.785 285 P CB 0.748 32.488 31.700 0.067 0.000 0.923 286 S N 0.449 116.159 115.700 0.016 0.000 2.593 286 S HA -0.027 4.443 4.470 0.000 0.000 0.303 286 S C 0.622 175.137 174.600 -0.142 0.000 1.267 286 S CA 0.543 58.723 58.200 -0.034 0.000 1.047 286 S CB -0.641 62.574 63.200 0.026 0.000 0.777 286 S HN 0.525 nan 8.310 nan 0.000 0.498 287 T N 2.685 117.072 114.554 -0.278 0.000 3.200 287 T HA 0.187 4.538 4.350 0.000 0.000 0.284 287 T C -0.052 174.179 174.700 -0.783 0.000 1.009 287 T CA -0.136 61.579 62.100 -0.641 0.000 0.907 287 T CB -0.027 68.604 68.868 -0.396 0.000 1.120 287 T HN 0.654 nan 8.240 nan 0.000 0.534 288 S N 1.571 117.030 115.700 -0.402 0.000 2.466 288 S HA 0.584 5.055 4.470 0.000 0.000 0.313 288 S C -0.596 174.020 174.600 0.027 0.000 1.078 288 S CA -0.858 57.246 58.200 -0.160 0.000 1.115 288 S CB -0.131 63.045 63.200 -0.040 0.000 1.006 288 S HN 0.374 nan 8.310 nan 0.000 0.487 289 Y N 2.270 122.681 120.300 0.184 0.000 2.488 289 Y HA 0.747 5.298 4.550 0.000 0.000 0.325 289 Y C -0.009 176.113 175.900 0.370 0.000 1.204 289 Y CA -1.497 56.741 58.100 0.229 0.000 1.229 289 Y CB 1.197 39.718 38.460 0.102 0.000 1.274 289 Y HN 0.764 nan 8.280 nan 0.000 0.493 290 F N -0.080 120.063 119.950 0.322 0.000 2.688 290 F HA 0.767 5.295 4.527 0.000 0.000 0.308 290 F C -3.604 172.343 175.800 0.245 0.000 1.117 290 F CA -2.441 55.720 58.000 0.268 0.000 0.976 290 F CB 1.738 40.935 39.000 0.329 0.000 1.291 290 F HN 0.084 nan 8.300 nan 0.000 0.439 291 P HA 0.412 nan 4.420 nan 0.000 0.292 291 P C -1.321 175.954 177.300 -0.042 0.000 1.313 291 P CA -0.551 62.480 63.100 -0.114 0.000 0.965 291 P CB 2.383 34.025 31.700 -0.096 0.000 1.303 292 T N 3.253 117.791 114.554 -0.026 0.000 2.744 292 T HA 0.394 4.744 4.350 0.000 0.000 0.291 292 T C -2.052 172.605 174.700 -0.072 0.000 0.957 292 T CA -1.124 61.026 62.100 0.082 0.000 1.002 292 T CB 0.498 69.482 68.868 0.193 0.000 0.919 292 T HN 0.372 nan 8.240 nan 0.000 0.468 293 P HA 0.441 nan 4.420 nan 0.000 0.297 293 P C -0.626 176.514 177.300 -0.268 0.000 1.303 293 P CA -0.616 62.371 63.100 -0.189 0.000 0.753 293 P CB 0.691 32.324 31.700 -0.112 0.000 1.281 294 S N -2.840 112.623 115.700 -0.395 0.000 2.583 294 S HA 0.477 4.947 4.470 0.000 0.000 0.294 294 S C 0.363 174.861 174.600 -0.171 0.000 1.121 294 S CA -0.230 57.744 58.200 -0.376 0.000 0.910 294 S CB 0.043 62.714 63.200 -0.881 0.000 1.102 294 S HN 0.560 nan 8.310 nan 0.000 0.451 295 G N 1.799 110.621 108.800 0.036 0.000 3.141 295 G HA2 0.352 4.313 3.960 0.000 0.000 0.218 295 G HA3 0.352 4.313 3.960 0.000 0.000 0.218 295 G C 0.918 175.919 174.900 0.168 0.000 1.170 295 G CA 0.854 46.017 45.100 0.104 0.000 0.769 295 G HN 1.463 nan 8.290 nan 0.000 0.546 296 S N -0.873 114.994 115.700 0.278 0.000 4.155 296 S HA -0.331 4.140 4.470 0.000 0.000 0.539 296 S C 0.515 175.214 174.600 0.165 0.000 1.841 296 S CA 1.764 60.159 58.200 0.325 0.000 4.215 296 S CB -1.023 62.336 63.200 0.264 0.000 0.531 296 S HN 0.703 nan 8.310 nan 0.000 0.461 297 M N 1.664 121.330 119.600 0.110 0.000 2.446 297 M HA 0.584 5.065 4.480 0.000 0.000 0.294 297 M C -1.280 175.052 176.300 0.052 0.000 1.158 297 M CA -0.701 54.641 55.300 0.070 0.000 0.899 297 M CB 1.947 34.574 32.600 0.045 0.000 1.687 297 M HN 0.585 nan 8.290 nan 0.000 0.455 298 V N 1.473 121.414 119.914 0.046 0.000 2.481 298 V HA 0.935 5.056 4.120 0.000 0.000 0.286 298 V C -0.307 175.802 176.094 0.024 0.000 1.042 298 V CA -0.288 62.034 62.300 0.037 0.000 0.928 298 V CB 0.959 32.808 31.823 0.043 0.000 0.986 298 V HN 0.928 nan 8.190 nan 0.000 0.462 299 T N -0.301 114.262 114.554 0.015 0.000 3.105 299 T HA 0.335 4.685 4.350 0.000 0.000 0.321 299 T C 0.633 175.334 174.700 0.001 0.000 1.135 299 T CA 0.123 62.227 62.100 0.007 0.000 1.053 299 T CB 1.546 70.416 68.868 0.003 0.000 1.133 299 T HN 0.582 nan 8.240 nan 0.000 0.463 300 S N 1.795 117.496 115.700 0.002 0.000 2.461 300 S HA -0.162 4.308 4.470 0.000 0.000 0.249 300 S C 1.429 176.025 174.600 -0.007 0.000 1.012 300 S CA 1.753 59.953 58.200 -0.001 0.000 0.982 300 S CB -0.388 62.812 63.200 0.000 0.000 0.764 300 S HN 0.806 nan 8.310 nan 0.000 0.506 301 D N 1.282 121.677 120.400 -0.009 0.000 2.137 301 D HA 0.038 4.678 4.640 0.000 0.000 0.202 301 D C 2.299 178.587 176.300 -0.021 0.000 0.970 301 D CA 1.031 55.023 54.000 -0.012 0.000 0.837 301 D CB -0.299 40.495 40.800 -0.010 0.000 0.981 301 D HN 0.440 nan 8.370 nan 0.000 0.475 302 A N 1.595 124.400 122.820 -0.024 0.000 1.917 302 A HA -0.180 4.141 4.320 0.000 0.000 0.219 302 A C 1.145 178.686 177.584 -0.071 0.000 1.182 302 A CA 0.961 52.974 52.037 -0.040 0.000 0.633 302 A CB -0.580 18.402 19.000 -0.029 0.000 0.819 302 A HN 0.133 nan 8.150 nan 0.000 0.448 303 Q N -0.267 119.493 119.800 -0.066 0.000 3.520 303 Q HA -0.137 4.203 4.340 0.000 0.000 0.395 303 Q C 0.808 176.729 176.000 -0.132 0.000 1.035 303 Q CA 0.515 56.259 55.803 -0.097 0.000 1.260 303 Q CB -0.079 28.638 28.738 -0.035 0.000 1.061 303 Q HN 0.706 nan 8.270 nan 0.000 0.469 304 I N 2.513 122.899 120.570 -0.307 0.000 2.876 304 I HA -0.043 4.127 4.170 0.000 0.000 0.264 304 I C 0.217 176.215 176.117 -0.199 0.000 1.204 304 I CA 0.555 61.634 61.300 -0.368 0.000 1.485 304 I CB 0.326 37.968 38.000 -0.597 0.000 1.103 304 I HN 0.375 nan 8.210 nan 0.000 0.446 305 F N 0.421 120.429 119.950 0.096 0.000 2.452 305 F HA 0.304 4.831 4.527 0.000 0.000 0.353 305 F C 1.246 177.004 175.800 -0.070 0.000 1.089 305 F CA -0.820 57.199 58.000 0.031 0.000 1.080 305 F CB 0.184 39.188 39.000 0.006 0.000 1.399 305 F HN -0.097 nan 8.300 nan 0.000 0.492 306 N N -0.040 118.710 118.700 0.084 0.000 2.741 306 N HA -0.218 4.522 4.740 0.000 0.000 0.250 306 N C -1.479 173.965 175.510 -0.110 0.000 1.115 306 N CA 0.690 53.710 53.050 -0.049 0.000 0.724 306 N CB -0.777 37.706 38.487 -0.007 0.000 1.090 306 N HN 0.392 nan 8.380 nan 0.000 0.558 307 K N -0.487 119.788 120.400 -0.208 0.000 2.482 307 K HA 0.512 4.832 4.320 0.000 0.000 0.257 307 K C -2.791 173.514 176.600 -0.492 0.000 0.969 307 K CA -1.740 54.416 56.287 -0.218 0.000 0.842 307 K CB 2.490 34.943 32.500 -0.078 0.000 1.359 307 K HN -0.185 nan 8.250 nan 0.000 0.441 308 P HA 0.159 nan 4.420 nan 0.000 0.284 308 P C -1.346 175.532 177.300 -0.703 0.000 1.253 308 P CA -0.234 62.410 63.100 -0.760 0.000 0.800 308 P CB 0.435 31.694 31.700 -0.735 0.000 0.961 309 Y N 0.977 120.784 120.300 -0.822 0.000 2.331 309 Y HA 0.335 4.885 4.550 0.000 0.000 0.338 309 Y C -0.107 175.263 175.900 -0.884 0.000 0.992 309 Y CA -0.857 56.808 58.100 -0.724 0.000 1.121 309 Y CB 1.497 39.570 38.460 -0.646 0.000 1.184 309 Y HN 0.347 nan 8.280 nan 0.000 0.469 310 W N 5.665 126.923 121.300 -0.071 0.000 2.413 310 W HA 0.404 5.064 4.660 0.000 0.000 0.308 310 W C -0.657 175.793 176.519 -0.115 0.000 0.997 310 W CA -0.958 56.351 57.345 -0.061 0.000 1.447 310 W CB 1.168 30.632 29.460 0.007 0.000 1.263 310 W HN 0.447 nan 8.180 nan 0.000 0.416 311 L N 2.062 123.287 121.223 0.003 0.000 2.533 311 L HA 0.206 4.546 4.340 0.000 0.000 0.239 311 L C 1.844 178.763 176.870 0.081 0.000 1.376 311 L CA -0.193 54.633 54.840 -0.024 0.000 1.240 311 L CB -0.359 41.632 42.059 -0.113 0.000 1.487 311 L HN 0.570 nan 8.230 nan 0.000 0.419 312 Q N 0.789 120.674 119.800 0.143 0.000 2.014 312 Q HA -0.161 4.179 4.340 0.000 0.000 0.207 312 Q C 0.251 176.303 176.000 0.086 0.000 0.993 312 Q CA 1.240 57.116 55.803 0.122 0.000 0.850 312 Q CB -0.192 28.618 28.738 0.120 0.000 0.916 312 Q HN 0.582 nan 8.270 nan 0.000 0.417 313 R N 0.165 120.723 120.500 0.096 0.000 2.534 313 R HA 0.621 4.961 4.340 0.000 0.000 0.301 313 R C -1.076 175.292 176.300 0.112 0.000 0.961 313 R CA 0.265 56.415 56.100 0.083 0.000 0.871 313 R CB 2.048 32.394 30.300 0.076 0.000 1.170 313 R HN 0.456 nan 8.270 nan 0.000 0.446 314 A N 1.729 124.607 122.820 0.098 0.000 2.296 314 A HA 0.167 4.487 4.320 0.000 0.000 0.264 314 A C 0.747 178.432 177.584 0.167 0.000 1.097 314 A CA -0.216 51.913 52.037 0.154 0.000 0.811 314 A CB 0.486 19.553 19.000 0.112 0.000 1.072 314 A HN 0.853 nan 8.150 nan 0.000 0.495 315 Q N 0.510 120.443 119.800 0.221 0.000 2.062 315 Q HA 0.260 4.600 4.340 0.000 0.000 0.196 315 Q C 0.995 177.054 176.000 0.098 0.000 0.967 315 Q CA 1.308 57.212 55.803 0.169 0.000 0.832 315 Q CB -0.920 27.950 28.738 0.219 0.000 0.899 315 Q HN 0.775 nan 8.270 nan 0.000 0.442 316 G N -1.036 107.844 108.800 0.134 0.000 2.531 316 G HA2 0.255 4.216 3.960 0.000 0.000 0.281 316 G HA3 0.255 4.216 3.960 0.000 0.000 0.281 316 G C -0.349 174.595 174.900 0.073 0.000 1.382 316 G CA -0.214 44.927 45.100 0.069 0.000 1.045 316 G HN 0.401 nan 8.290 nan 0.000 0.533 317 H N -0.908 118.276 119.070 0.190 0.000 2.423 317 H HA -0.000 4.556 4.556 0.000 0.000 0.297 317 H C 1.078 176.539 175.328 0.221 0.000 1.075 317 H CA 0.735 56.898 56.048 0.192 0.000 1.342 317 H CB 0.269 30.155 29.762 0.206 0.000 1.395 317 H HN 0.219 nan 8.280 nan 0.000 0.530 318 N N 1.864 120.813 118.700 0.415 0.000 2.400 318 N HA -0.096 4.644 4.740 0.000 0.000 0.267 318 N C -0.725 174.887 175.510 0.170 0.000 1.208 318 N CA 0.072 53.338 53.050 0.359 0.000 0.951 318 N CB -0.154 38.633 38.487 0.500 0.000 1.227 318 N HN 0.251 nan 8.380 nan 0.000 0.488 319 N N 2.596 121.322 118.700 0.043 0.000 2.744 319 N HA 0.022 4.762 4.740 0.000 0.000 0.290 319 N C 0.373 175.714 175.510 -0.281 0.000 1.206 319 N CA 0.253 53.256 53.050 -0.079 0.000 1.119 319 N CB -0.528 37.934 38.487 -0.042 0.000 1.449 319 N HN 0.702 nan 8.380 nan 0.000 0.514 320 G N 2.704 111.084 108.800 -0.701 0.000 2.357 320 G HA2 -0.229 3.731 3.960 0.000 0.000 0.282 320 G HA3 -0.229 3.731 3.960 0.000 0.000 0.282 320 G C 0.136 174.761 174.900 -0.459 0.000 0.910 320 G CA -0.082 44.326 45.100 -1.152 0.000 1.267 320 G HN 0.516 nan 8.290 nan 0.000 0.476 321 I N 0.510 120.854 120.570 -0.377 0.000 2.337 321 I HA 0.129 4.299 4.170 0.000 0.000 0.285 321 I C 0.983 176.804 176.117 -0.493 0.000 1.041 321 I CA -0.845 60.133 61.300 -0.537 0.000 1.199 321 I CB 1.012 38.479 38.000 -0.889 0.000 1.370 321 I HN 0.179 nan 8.210 nan 0.000 0.470 322 C N 5.464 124.628 119.300 -0.227 0.000 3.479 322 C HA 0.020 4.480 4.460 0.000 0.000 0.546 322 C C 0.816 175.807 174.990 0.003 0.000 1.207 322 C CA -0.964 58.035 59.018 -0.031 0.000 1.334 322 C CB -2.526 25.202 27.740 -0.020 0.000 1.611 322 C HN 0.606 nan 8.230 nan 0.000 0.640 323 W N 0.586 121.963 121.300 0.128 0.000 2.560 323 W HA 0.053 4.713 4.660 0.000 0.000 0.335 323 W C 1.351 177.872 176.519 0.004 0.000 1.147 323 W CA 0.641 58.015 57.345 0.047 0.000 1.277 323 W CB -0.044 29.424 29.460 0.014 0.000 1.152 323 W HN 0.618 nan 8.180 nan 0.000 0.561 324 S N 1.650 117.496 115.700 0.244 0.000 3.482 324 S HA -0.300 4.170 4.470 0.000 0.000 0.294 324 S C 0.214 174.866 174.600 0.087 0.000 1.244 324 S CA 0.771 59.027 58.200 0.094 0.000 0.911 324 S CB -1.832 61.413 63.200 0.075 0.000 1.070 324 S HN 0.778 nan 8.310 nan 0.000 0.614 325 N N 0.182 118.937 118.700 0.091 0.000 2.708 325 N HA -0.212 4.528 4.740 0.000 0.000 0.251 325 N C -0.160 175.335 175.510 -0.025 0.000 1.017 325 N CA 1.511 54.577 53.050 0.026 0.000 0.742 325 N CB -0.727 37.769 38.487 0.015 0.000 0.943 325 N HN 0.768 nan 8.380 nan 0.000 0.539 326 Q N -0.382 119.425 119.800 0.012 0.000 2.416 326 Q HA 0.779 5.119 4.340 0.000 0.000 0.279 326 Q C -0.396 175.594 176.000 -0.016 0.000 1.101 326 Q CA -0.654 55.128 55.803 -0.034 0.000 0.830 326 Q CB 2.286 31.064 28.738 0.066 0.000 1.402 326 Q HN 0.189 nan 8.270 nan 0.000 0.445 327 L N 1.708 122.835 121.223 -0.159 0.000 2.493 327 L HA 0.515 4.855 4.340 0.000 0.000 0.265 327 L C -1.642 175.048 176.870 -0.300 0.000 0.954 327 L CA -0.556 54.231 54.840 -0.087 0.000 0.844 327 L CB 1.567 43.549 42.059 -0.129 0.000 1.302 327 L HN 0.571 nan 8.230 nan 0.000 0.405 328 F N 2.663 122.590 119.950 -0.038 0.000 2.449 328 F HA 0.472 4.999 4.527 0.000 0.000 0.342 328 F C 0.071 175.899 175.800 0.047 0.000 1.127 328 F CA -0.738 57.221 58.000 -0.067 0.000 0.975 328 F CB 2.008 40.889 39.000 -0.197 0.000 1.146 328 F HN -0.070 nan 8.300 nan 0.000 0.444 329 V N 3.100 123.161 119.914 0.245 0.000 2.266 329 V HA 0.291 4.411 4.120 0.000 0.000 0.271 329 V C -0.341 175.946 176.094 0.322 0.000 1.032 329 V CA -0.638 61.858 62.300 0.328 0.000 0.806 329 V CB 0.800 32.843 31.823 0.367 0.000 1.052 329 V HN 0.773 nan 8.190 nan 0.000 0.449 330 T N 3.798 118.490 114.554 0.230 0.000 2.771 330 T HA 0.640 4.990 4.350 0.000 0.000 0.291 330 T C -0.201 174.619 174.700 0.200 0.000 0.954 330 T CA -0.398 61.801 62.100 0.166 0.000 1.045 330 T CB 1.797 70.753 68.868 0.146 0.000 0.917 330 T HN 0.264 nan 8.240 nan 0.000 0.484 331 V N 3.858 123.856 119.914 0.139 0.000 2.638 331 V HA 0.515 4.636 4.120 0.000 0.000 0.306 331 V C -0.446 175.692 176.094 0.075 0.000 1.052 331 V CA -0.748 61.646 62.300 0.157 0.000 0.885 331 V CB 2.273 34.181 31.823 0.142 0.000 0.999 331 V HN 0.731 nan 8.190 nan 0.000 0.424 332 V N 3.298 123.271 119.914 0.100 0.000 2.628 332 V HA 0.714 4.834 4.120 0.000 0.000 0.306 332 V C -1.020 175.213 176.094 0.231 0.000 1.045 332 V CA -0.393 61.911 62.300 0.006 0.000 0.905 332 V CB 2.101 33.740 31.823 -0.307 0.000 0.997 332 V HN 1.020 nan 8.190 nan 0.000 0.436 333 D N 1.725 122.250 120.400 0.208 0.000 2.333 333 D HA 0.206 4.846 4.640 0.000 0.000 0.225 333 D C 0.395 176.829 176.300 0.222 0.000 1.345 333 D CA 0.097 54.274 54.000 0.296 0.000 0.971 333 D CB 1.570 42.663 40.800 0.488 0.000 1.451 333 D HN 0.566 nan 8.370 nan 0.000 0.561 334 T N -0.567 114.100 114.554 0.189 0.000 3.122 334 T HA 0.052 4.403 4.350 0.000 0.000 0.250 334 T C 1.626 176.417 174.700 0.152 0.000 1.067 334 T CA 0.676 62.884 62.100 0.179 0.000 0.966 334 T CB -0.009 68.962 68.868 0.173 0.000 1.002 334 T HN 0.365 nan 8.240 nan 0.000 0.542 335 T N 0.749 115.389 114.554 0.143 0.000 3.023 335 T HA 0.032 4.382 4.350 0.000 0.000 0.266 335 T C 1.520 176.278 174.700 0.097 0.000 1.093 335 T CA 0.063 62.226 62.100 0.106 0.000 1.129 335 T CB -0.309 68.615 68.868 0.093 0.000 0.899 335 T HN 0.524 nan 8.240 nan 0.000 0.491 336 R N 1.633 122.206 120.500 0.121 0.000 2.652 336 R HA 0.277 4.617 4.340 0.000 0.000 0.372 336 R C 1.127 177.510 176.300 0.139 0.000 1.104 336 R CA 0.249 56.410 56.100 0.102 0.000 1.072 336 R CB 0.138 30.492 30.300 0.089 0.000 1.367 336 R HN 0.449 nan 8.270 nan 0.000 0.577 337 S N 0.559 116.350 115.700 0.151 0.000 3.283 337 S HA -0.077 4.393 4.470 0.000 0.000 0.249 337 S C 0.379 174.900 174.600 -0.130 0.000 1.050 337 S CA -0.036 58.255 58.200 0.152 0.000 1.226 337 S CB -1.011 62.313 63.200 0.207 0.000 1.061 337 S HN 0.222 nan 8.310 nan 0.000 0.488 338 T N 0.963 115.322 114.554 -0.326 0.000 2.795 338 T HA 0.416 4.766 4.350 0.000 0.000 0.282 338 T C -0.477 173.864 174.700 -0.598 0.000 0.980 338 T CA -1.018 60.882 62.100 -0.333 0.000 1.012 338 T CB 0.682 69.463 68.868 -0.144 0.000 0.936 338 T HN 0.478 nan 8.240 nan 0.000 0.457 339 N N 3.529 121.994 118.700 -0.390 0.000 2.485 339 N HA 0.359 5.099 4.740 0.000 0.000 0.243 339 N C 0.285 175.678 175.510 -0.195 0.000 0.987 339 N CA -0.693 52.163 53.050 -0.323 0.000 0.940 339 N CB 0.869 39.201 38.487 -0.257 0.000 1.122 339 N HN 0.683 nan 8.380 nan 0.000 0.509 340 M N 0.276 119.785 119.600 -0.152 0.000 2.249 340 M HA 0.381 4.861 4.480 0.000 0.000 0.351 340 M C -0.274 175.978 176.300 -0.080 0.000 1.180 340 M CA -0.418 54.826 55.300 -0.094 0.000 1.127 340 M CB 1.118 33.680 32.600 -0.064 0.000 1.546 340 M HN 0.327 nan 8.290 nan 0.000 0.461 341 S N 3.043 118.713 115.700 -0.051 0.000 2.442 341 S HA 0.611 5.082 4.470 0.000 0.000 0.297 341 S C -0.202 174.412 174.600 0.022 0.000 1.131 341 S CA -0.809 57.378 58.200 -0.021 0.000 1.092 341 S CB 1.102 64.290 63.200 -0.018 0.000 0.998 341 S HN 0.830 nan 8.310 nan 0.000 0.478 342 V N 1.038 120.990 119.914 0.063 0.000 2.532 342 V HA 0.744 4.864 4.120 0.000 0.000 0.295 342 V C 0.044 176.242 176.094 0.173 0.000 1.041 342 V CA -0.940 61.410 62.300 0.084 0.000 0.926 342 V CB 0.516 32.365 31.823 0.043 0.000 0.992 342 V HN 1.099 nan 8.190 nan 0.000 0.457 343 C N 4.466 123.854 119.300 0.147 0.000 2.369 343 C HA 0.818 5.278 4.460 0.000 0.000 0.322 343 C C 0.154 175.277 174.990 0.223 0.000 1.258 343 C CA 0.200 59.344 59.018 0.210 0.000 1.487 343 C CB 0.643 28.470 27.740 0.146 0.000 2.165 343 C HN 1.197 nan 8.230 nan 0.000 0.483 344 S N 3.293 119.158 115.700 0.274 0.000 2.542 344 S HA 0.854 5.324 4.470 0.000 0.000 0.293 344 S C -0.362 174.357 174.600 0.198 0.000 1.089 344 S CA -0.223 58.093 58.200 0.192 0.000 0.961 344 S CB 1.535 64.809 63.200 0.124 0.000 1.062 344 S HN 1.305 nan 8.310 nan 0.000 0.483 345 A N 2.948 125.826 122.820 0.098 0.000 2.306 345 A HA 0.568 4.888 4.320 0.000 0.000 0.314 345 A C 0.925 178.438 177.584 -0.118 0.000 1.164 345 A CA -0.582 51.388 52.037 -0.112 0.000 0.822 345 A CB 0.709 19.624 19.000 -0.142 0.000 1.130 345 A HN 0.806 nan 8.150 nan 0.000 0.496 346 V N 1.473 121.270 119.914 -0.196 0.000 2.809 346 V HA 0.021 4.142 4.120 0.000 0.000 0.256 346 V C 0.831 176.858 176.094 -0.112 0.000 1.080 346 V CA 1.854 64.080 62.300 -0.122 0.000 1.102 346 V CB -1.012 30.729 31.823 -0.136 0.000 0.705 346 V HN 1.269 nan 8.190 nan 0.000 0.475 347 S N -1.220 114.389 115.700 -0.152 0.000 2.467 347 S HA 0.074 4.544 4.470 0.000 0.000 0.320 347 S C 0.074 174.598 174.600 -0.127 0.000 0.940 347 S CA -0.000 58.134 58.200 -0.110 0.000 0.896 347 S CB 0.596 63.744 63.200 -0.087 0.000 1.172 347 S HN 0.403 nan 8.310 nan 0.000 0.450 348 S N 1.767 117.421 115.700 -0.076 0.000 2.840 348 S HA 0.126 4.596 4.470 0.000 0.000 0.235 348 S C 1.349 175.936 174.600 -0.022 0.000 0.968 348 S CA 0.198 58.375 58.200 -0.039 0.000 1.026 348 S CB -0.806 62.395 63.200 0.002 0.000 0.788 348 S HN 1.327 nan 8.310 nan 0.000 0.487 349 S N 0.121 115.798 115.700 -0.038 0.000 2.527 349 S HA 0.073 4.543 4.470 0.000 0.000 0.222 349 S C 0.234 174.823 174.600 -0.018 0.000 0.985 349 S CA -0.228 57.958 58.200 -0.024 0.000 0.921 349 S CB -0.262 62.921 63.200 -0.029 0.000 0.772 349 S HN 0.497 nan 8.310 nan 0.000 0.529 350 D N 2.029 122.411 120.400 -0.029 0.000 2.348 350 D HA 0.389 5.029 4.640 0.000 0.000 0.249 350 D C 0.774 177.086 176.300 0.021 0.000 1.110 350 D CA 0.087 54.079 54.000 -0.014 0.000 0.967 350 D CB 1.551 42.325 40.800 -0.043 0.000 1.139 350 D HN 0.365 nan 8.370 nan 0.000 0.466 351 S N -1.775 113.946 115.700 0.035 0.000 2.733 351 S HA 0.152 4.622 4.470 0.000 0.000 0.247 351 S C 0.246 174.892 174.600 0.078 0.000 1.043 351 S CA -0.340 57.893 58.200 0.055 0.000 1.066 351 S CB 0.304 63.528 63.200 0.040 0.000 1.045 351 S HN 0.306 nan 8.310 nan 0.000 0.586 352 T N 1.790 116.393 114.554 0.083 0.000 2.863 352 T HA 0.432 4.782 4.350 0.000 0.000 0.285 352 T C -1.296 173.511 174.700 0.178 0.000 1.009 352 T CA -0.490 61.682 62.100 0.119 0.000 0.989 352 T CB 1.146 70.066 68.868 0.086 0.000 1.004 352 T HN 0.283 nan 8.240 nan 0.000 0.455 353 Y N 2.796 123.164 120.300 0.114 0.000 2.650 353 Y HA 0.235 4.786 4.550 0.000 0.000 0.331 353 Y C 0.269 176.274 175.900 0.175 0.000 1.165 353 Y CA 0.462 58.671 58.100 0.181 0.000 1.473 353 Y CB 0.152 38.676 38.460 0.106 0.000 1.224 353 Y HN 0.416 nan 8.280 nan 0.000 0.533 354 K N 5.673 125.965 120.400 -0.180 0.000 2.613 354 K HA 0.182 4.502 4.320 0.000 0.000 0.248 354 K C 0.375 176.860 176.600 -0.191 0.000 0.959 354 K CA -0.610 55.605 56.287 -0.121 0.000 0.855 354 K CB 1.246 33.702 32.500 -0.074 0.000 1.143 354 K HN 0.743 nan 8.250 nan 0.000 0.437 355 N N 1.531 120.188 118.700 -0.071 0.000 2.122 355 N HA -0.291 4.449 4.740 0.000 0.000 0.199 355 N C 0.788 176.313 175.510 0.025 0.000 1.007 355 N CA 1.914 54.994 53.050 0.049 0.000 0.892 355 N CB -0.031 38.528 38.487 0.121 0.000 1.050 355 N HN 0.569 nan 8.380 nan 0.000 0.468 356 D N -0.136 120.247 120.400 -0.027 0.000 2.228 356 D HA -0.155 4.485 4.640 0.000 0.000 0.203 356 D C 1.181 177.396 176.300 -0.142 0.000 0.988 356 D CA 0.904 54.869 54.000 -0.059 0.000 0.864 356 D CB -0.446 40.321 40.800 -0.055 0.000 0.928 356 D HN 0.369 nan 8.370 nan 0.000 0.469 357 N N -1.017 117.517 118.700 -0.277 0.000 2.521 357 N HA -0.037 4.704 4.740 0.000 0.000 0.188 357 N C -0.703 174.296 175.510 -0.851 0.000 1.146 357 N CA 0.178 52.900 53.050 -0.548 0.000 0.893 357 N CB 0.135 38.274 38.487 -0.579 0.000 0.975 357 N HN -0.062 nan 8.380 nan 0.000 0.451 358 F N -0.361 119.531 119.950 -0.097 0.000 2.577 358 F HA 0.487 5.015 4.527 0.000 0.000 0.318 358 F C -0.100 175.698 175.800 -0.003 0.000 1.065 358 F CA -1.051 56.923 58.000 -0.042 0.000 0.929 358 F CB 1.867 40.831 39.000 -0.060 0.000 1.237 358 F HN -0.388 nan 8.300 nan 0.000 0.468 359 K N 1.812 122.357 120.400 0.242 0.000 2.426 359 K HA 0.345 4.665 4.320 0.000 0.000 0.254 359 K C -1.167 175.524 176.600 0.152 0.000 0.936 359 K CA -0.962 55.404 56.287 0.131 0.000 0.801 359 K CB 2.080 34.671 32.500 0.152 0.000 1.139 359 K HN 0.416 nan 8.250 nan 0.000 0.424 360 E N 2.598 122.767 120.200 -0.051 0.000 2.174 360 E HA 0.273 4.623 4.350 0.000 0.000 0.282 360 E C -0.947 175.573 176.600 -0.133 0.000 0.992 360 E CA -0.240 56.163 56.400 0.006 0.000 0.803 360 E CB 0.933 30.637 29.700 0.007 0.000 1.090 360 E HN 0.360 nan 8.360 nan 0.000 0.396 361 Y N 0.772 121.083 120.300 0.019 0.000 2.605 361 Y HA 0.507 5.057 4.550 0.000 0.000 0.343 361 Y C -0.006 175.841 175.900 -0.088 0.000 1.036 361 Y CA -0.872 57.227 58.100 -0.003 0.000 1.065 361 Y CB 1.515 39.985 38.460 0.018 0.000 1.288 361 Y HN 0.277 nan 8.280 nan 0.000 0.481 362 L N 2.298 123.491 121.223 -0.049 0.000 2.362 362 L HA 0.725 5.066 4.340 0.000 0.000 0.271 362 L C -0.842 175.828 176.870 -0.334 0.000 1.002 362 L CA -0.958 53.700 54.840 -0.303 0.000 0.818 362 L CB 1.797 43.461 42.059 -0.660 0.000 1.298 362 L HN 0.537 nan 8.230 nan 0.000 0.420 363 R N 1.424 121.778 120.500 -0.243 0.000 2.566 363 R HA 0.383 4.723 4.340 0.000 0.000 0.271 363 R C -1.600 174.660 176.300 -0.067 0.000 1.071 363 R CA -0.832 55.182 56.100 -0.144 0.000 0.915 363 R CB 2.098 32.365 30.300 -0.054 0.000 1.228 363 R HN 0.705 nan 8.270 nan 0.000 0.449 364 H N -0.662 118.341 119.070 -0.112 0.000 2.670 364 H HA 0.762 5.318 4.556 0.000 0.000 0.361 364 H C -0.529 174.807 175.328 0.014 0.000 1.169 364 H CA -0.834 55.188 56.048 -0.044 0.000 1.198 364 H CB 2.277 32.016 29.762 -0.038 0.000 1.700 364 H HN 0.741 nan 8.280 nan 0.000 0.542 365 G N 2.667 111.764 108.800 0.496 0.000 2.513 365 G HA2 0.203 4.164 3.960 0.000 0.000 0.282 365 G HA3 0.203 4.164 3.960 0.000 0.000 0.282 365 G C -1.537 173.531 174.900 0.279 0.000 1.397 365 G CA -0.537 44.715 45.100 0.253 0.000 1.291 365 G HN 0.493 nan 8.290 nan 0.000 0.596 366 E N 0.668 121.000 120.200 0.220 0.000 2.248 366 E HA 0.585 4.936 4.350 0.000 0.000 0.272 366 E C -0.463 176.264 176.600 0.213 0.000 1.008 366 E CA -0.510 56.020 56.400 0.216 0.000 0.856 366 E CB 1.682 31.583 29.700 0.335 0.000 1.120 366 E HN 0.506 nan 8.360 nan 0.000 0.397 367 E N 2.633 122.867 120.200 0.057 0.000 2.260 367 E HA 0.266 4.616 4.350 0.000 0.000 0.266 367 E C -1.447 175.067 176.600 -0.144 0.000 0.887 367 E CA -0.538 55.895 56.400 0.055 0.000 0.777 367 E CB 0.756 30.464 29.700 0.015 0.000 1.205 367 E HN 0.437 nan 8.360 nan 0.000 0.414 368 Y N 1.598 121.849 120.300 -0.081 0.000 2.524 368 Y HA 0.412 4.962 4.550 0.000 0.000 0.344 368 Y C -0.199 175.560 175.900 -0.234 0.000 1.012 368 Y CA -0.759 57.218 58.100 -0.204 0.000 1.068 368 Y CB 1.948 40.219 38.460 -0.315 0.000 1.249 368 Y HN 0.391 nan 8.280 nan 0.000 0.468 369 D N 2.620 122.959 120.400 -0.102 0.000 2.936 369 D HA 0.356 4.997 4.640 0.000 0.000 0.238 369 D C -1.897 174.224 176.300 -0.299 0.000 1.248 369 D CA -0.259 53.635 54.000 -0.177 0.000 0.903 369 D CB 1.484 42.200 40.800 -0.140 0.000 1.544 369 D HN 0.554 nan 8.370 nan 0.000 0.543 370 L N 3.346 124.340 121.223 -0.382 0.000 2.325 370 L HA 0.435 4.775 4.340 0.000 0.000 0.281 370 L C -0.163 176.241 176.870 -0.777 0.000 1.004 370 L CA -0.448 54.030 54.840 -0.604 0.000 0.823 370 L CB 1.819 43.565 42.059 -0.523 0.000 1.236 370 L HN 0.323 nan 8.230 nan 0.000 0.415 371 Q N 2.946 122.090 119.800 -1.093 0.000 2.451 371 Q HA 0.721 5.061 4.340 0.000 0.000 0.281 371 Q C -1.585 173.547 176.000 -1.446 0.000 1.099 371 Q CA -0.726 54.477 55.803 -0.999 0.000 0.806 371 Q CB 3.215 31.610 28.738 -0.572 0.000 1.419 371 Q HN 0.335 nan 8.270 nan 0.000 0.427 372 F N -0.018 119.492 119.950 -0.734 0.000 2.685 372 F HA 0.646 5.174 4.527 0.000 0.000 0.315 372 F C -0.847 174.358 175.800 -0.991 0.000 1.126 372 F CA -0.870 56.602 58.000 -0.879 0.000 0.950 372 F CB 1.761 40.092 39.000 -1.116 0.000 1.360 372 F HN 0.290 nan 8.300 nan 0.000 0.469 373 I N 1.900 121.991 120.570 -0.798 0.000 2.560 373 I HA 0.295 4.465 4.170 0.000 0.000 0.283 373 I C -1.508 174.246 176.117 -0.605 0.000 1.115 373 I CA -0.108 60.820 61.300 -0.620 0.000 1.066 373 I CB 1.216 38.994 38.000 -0.370 0.000 1.221 373 I HN 0.332 nan 8.210 nan 0.000 0.450 374 F N 3.957 123.782 119.950 -0.208 0.000 2.440 374 F HA 0.563 5.091 4.527 0.000 0.000 0.328 374 F C 0.344 176.141 175.800 -0.004 0.000 1.070 374 F CA -0.612 57.322 58.000 -0.111 0.000 1.011 374 F CB 1.079 39.945 39.000 -0.224 0.000 1.226 374 F HN 0.301 nan 8.300 nan 0.000 0.491 375 Q N 1.704 121.655 119.800 0.252 0.000 2.333 375 Q HA 0.383 4.723 4.340 0.000 0.000 0.267 375 Q C -1.188 174.930 176.000 0.195 0.000 1.012 375 Q CA -1.258 54.535 55.803 -0.016 0.000 0.824 375 Q CB 2.088 30.622 28.738 -0.341 0.000 1.290 375 Q HN 0.631 nan 8.270 nan 0.000 0.449 376 L N 3.172 124.450 121.223 0.091 0.000 2.559 376 L HA 0.014 4.355 4.340 0.000 0.000 0.282 376 L C -1.057 175.651 176.870 -0.270 0.000 1.232 376 L CA 0.901 55.559 54.840 -0.304 0.000 0.885 376 L CB 0.201 41.971 42.059 -0.482 0.000 1.131 376 L HN 0.737 nan 8.230 nan 0.000 0.498 377 C N 4.011 123.114 119.300 -0.328 0.000 2.888 377 C HA 0.662 5.123 4.460 0.000 0.000 0.308 377 C C -0.648 174.215 174.990 -0.212 0.000 1.213 377 C CA -1.299 57.590 59.018 -0.215 0.000 1.461 377 C CB 2.034 29.684 27.740 -0.150 0.000 1.934 377 C HN 0.857 nan 8.230 nan 0.000 0.474 378 K N 1.648 121.978 120.400 -0.117 0.000 2.324 378 K HA 0.875 5.195 4.320 0.000 0.000 0.253 378 K C -1.529 175.088 176.600 0.028 0.000 0.932 378 K CA -0.393 55.857 56.287 -0.061 0.000 0.799 378 K CB 1.427 33.918 32.500 -0.015 0.000 1.154 378 K HN 0.648 nan 8.250 nan 0.000 0.425 379 I N 2.412 123.006 120.570 0.040 0.000 2.406 379 I HA 0.192 4.362 4.170 0.000 0.000 0.290 379 I C -0.570 175.581 176.117 0.057 0.000 0.999 379 I CA -0.963 60.408 61.300 0.118 0.000 1.124 379 I CB 2.271 40.408 38.000 0.229 0.000 1.289 379 I HN 0.663 nan 8.210 nan 0.000 0.441 380 T N 7.218 121.825 114.554 0.088 0.000 2.738 380 T HA 0.386 4.736 4.350 0.000 0.000 0.298 380 T C 0.200 174.937 174.700 0.063 0.000 0.962 380 T CA -0.432 61.700 62.100 0.053 0.000 0.972 380 T CB 0.355 69.254 68.868 0.051 0.000 0.928 380 T HN 0.303 nan 8.240 nan 0.000 0.474 381 L N 5.227 126.472 121.223 0.037 0.000 2.536 381 L HA 0.219 4.559 4.340 0.000 0.000 0.282 381 L C 1.354 178.252 176.870 0.047 0.000 1.174 381 L CA -0.380 54.497 54.840 0.063 0.000 0.989 381 L CB -0.645 41.452 42.059 0.063 0.000 1.311 381 L HN 0.727 nan 8.230 nan 0.000 0.455 382 T N -1.037 113.547 114.554 0.050 0.000 2.948 382 T HA 0.592 4.942 4.350 0.000 0.000 0.285 382 T C 1.325 176.043 174.700 0.031 0.000 1.019 382 T CA -0.205 61.916 62.100 0.034 0.000 1.013 382 T CB 1.929 70.815 68.868 0.030 0.000 1.117 382 T HN 0.390 nan 8.240 nan 0.000 0.533 383 A N 1.521 124.353 122.820 0.020 0.000 1.893 383 A HA -0.280 4.040 4.320 0.000 0.000 0.222 383 A C 1.824 179.419 177.584 0.018 0.000 1.309 383 A CA 2.826 54.871 52.037 0.015 0.000 0.681 383 A CB -1.726 17.280 19.000 0.009 0.000 0.842 383 A HN 0.991 nan 8.150 nan 0.000 0.468 384 D N -1.082 119.327 120.400 0.015 0.000 2.097 384 D HA -0.032 4.608 4.640 0.000 0.000 0.197 384 D C 1.943 178.251 176.300 0.013 0.000 0.984 384 D CA 1.390 55.397 54.000 0.012 0.000 0.826 384 D CB -0.222 40.577 40.800 -0.002 0.000 0.973 384 D HN 0.212 nan 8.370 nan 0.000 0.460 385 V N 0.644 120.560 119.914 0.004 0.000 2.332 385 V HA -0.303 3.817 4.120 0.000 0.000 0.248 385 V C 2.341 178.459 176.094 0.039 0.000 1.055 385 V CA 1.484 63.776 62.300 -0.014 0.000 1.038 385 V CB -0.479 31.357 31.823 0.021 0.000 0.651 385 V HN 0.273 nan 8.190 nan 0.000 0.450 386 M N -0.030 119.606 119.600 0.060 0.000 2.065 386 M HA -0.213 4.267 4.480 0.000 0.000 0.259 386 M C 2.356 178.702 176.300 0.077 0.000 1.069 386 M CA 2.552 57.898 55.300 0.076 0.000 1.110 386 M CB -0.830 31.811 32.600 0.068 0.000 1.328 386 M HN 0.486 nan 8.290 nan 0.000 0.405 387 T N -0.510 114.078 114.554 0.055 0.000 2.635 387 T HA -0.258 4.092 4.350 0.000 0.000 0.267 387 T C 1.519 176.270 174.700 0.085 0.000 1.040 387 T CA 1.868 63.997 62.100 0.049 0.000 1.156 387 T CB -0.795 68.091 68.868 0.031 0.000 0.863 387 T HN 0.413 nan 8.240 nan 0.000 0.430 388 Y N 2.001 122.271 120.300 -0.049 0.000 2.114 388 Y HA -0.129 4.422 4.550 0.000 0.000 0.284 388 Y C 2.196 178.025 175.900 -0.120 0.000 1.143 388 Y CA 0.977 59.032 58.100 -0.075 0.000 1.135 388 Y CB -0.534 37.831 38.460 -0.157 0.000 0.980 388 Y HN 0.136 nan 8.280 nan 0.000 0.499 389 I N -0.387 120.151 120.570 -0.053 0.000 2.145 389 I HA -0.451 3.719 4.170 0.000 0.000 0.244 389 I C 2.596 178.517 176.117 -0.326 0.000 1.075 389 I CA 2.030 63.176 61.300 -0.256 0.000 1.332 389 I CB -1.009 36.883 38.000 -0.180 0.000 1.033 389 I HN 0.445 nan 8.210 nan 0.000 0.410 390 H N 1.766 120.700 119.070 -0.226 0.000 2.265 390 H HA -0.181 4.376 4.556 0.000 0.000 0.295 390 H C 2.428 177.624 175.328 -0.220 0.000 1.084 390 H CA 2.499 58.430 56.048 -0.194 0.000 1.261 390 H CB -0.024 29.668 29.762 -0.116 0.000 1.360 390 H HN 0.287 nan 8.280 nan 0.000 0.487 391 S N 0.918 116.587 115.700 -0.051 0.000 2.374 391 S HA -0.211 4.260 4.470 0.000 0.000 0.227 391 S C 2.353 176.805 174.600 -0.246 0.000 1.037 391 S CA 1.511 59.657 58.200 -0.089 0.000 1.024 391 S CB -0.315 62.846 63.200 -0.065 0.000 0.861 391 S HN 0.410 nan 8.310 nan 0.000 0.456 392 M N 1.427 120.766 119.600 -0.435 0.000 2.333 392 M HA -0.033 4.447 4.480 0.000 0.000 0.264 392 M C 0.608 176.512 176.300 -0.659 0.000 1.107 392 M CA 1.486 56.323 55.300 -0.772 0.000 1.092 392 M CB -0.096 31.961 32.600 -0.906 0.000 1.212 392 M HN 0.290 nan 8.290 nan 0.000 0.462 393 N N -0.162 118.156 118.700 -0.637 0.000 2.491 393 N HA 0.266 5.007 4.740 0.000 0.000 0.274 393 N C -2.319 172.881 175.510 -0.515 0.000 1.023 393 N CA -1.643 51.094 53.050 -0.521 0.000 0.902 393 N CB 1.949 40.138 38.487 -0.496 0.000 1.267 393 N HN 0.099 nan 8.380 nan 0.000 0.503 394 P HA -0.100 nan 4.420 nan 0.000 0.220 394 P C 0.980 178.051 177.300 -0.383 0.000 1.148 394 P CA 0.895 63.652 63.100 -0.571 0.000 0.803 394 P CB 0.440 31.729 31.700 -0.685 0.000 0.782 395 S N 1.091 116.594 115.700 -0.329 0.000 2.368 395 S HA -0.188 4.282 4.470 0.000 0.000 0.226 395 S C 2.056 176.442 174.600 -0.356 0.000 1.044 395 S CA 1.432 59.471 58.200 -0.267 0.000 1.062 395 S CB -1.260 61.810 63.200 -0.217 0.000 0.931 395 S HN 0.159 nan 8.310 nan 0.000 0.440 396 I N 0.896 121.176 120.570 -0.483 0.000 2.182 396 I HA -0.286 3.884 4.170 0.000 0.000 0.248 396 I C 2.183 177.658 176.117 -1.070 0.000 1.073 396 I CA 1.468 62.297 61.300 -0.786 0.000 1.335 396 I CB -0.347 37.113 38.000 -0.900 0.000 1.031 396 I HN 0.252 nan 8.210 nan 0.000 0.420 397 L N -0.479 120.412 121.223 -0.552 0.000 2.200 397 L HA -0.056 4.284 4.340 0.000 0.000 0.200 397 L C 2.518 179.368 176.870 -0.034 0.000 1.072 397 L CA 0.726 55.459 54.840 -0.179 0.000 0.787 397 L CB -0.287 41.735 42.059 -0.062 0.000 0.957 397 L HN 0.141 nan 8.230 nan 0.000 0.459 398 E N 0.219 120.357 120.200 -0.103 0.000 2.070 398 E HA -0.264 4.086 4.350 0.000 0.000 0.197 398 E C 1.267 177.854 176.600 -0.022 0.000 1.004 398 E CA 1.449 57.822 56.400 -0.045 0.000 0.805 398 E CB -0.145 29.507 29.700 -0.081 0.000 0.744 398 E HN 0.464 nan 8.360 nan 0.000 0.451 399 D N -0.478 119.864 120.400 -0.097 0.000 2.378 399 D HA -0.117 4.523 4.640 0.000 0.000 0.222 399 D C 0.301 176.665 176.300 0.106 0.000 0.980 399 D CA 0.529 54.502 54.000 -0.045 0.000 0.907 399 D CB -0.017 40.705 40.800 -0.129 0.000 0.899 399 D HN 0.273 nan 8.370 nan 0.000 0.527 400 W N 2.615 123.921 121.300 0.011 0.000 2.960 400 W HA 0.142 4.803 4.660 0.000 0.000 0.442 400 W C 0.301 176.830 176.519 0.016 0.000 0.774 400 W CA -0.459 56.898 57.345 0.020 0.000 2.207 400 W CB -1.221 28.256 29.460 0.029 0.000 1.159 400 W HN 0.062 nan 8.180 nan 0.000 0.845 441 L N 1.292 122.581 121.223 0.111 0.000 3.209 441 L HA 0.433 4.773 4.340 0.000 0.000 0.279 441 L C 1.577 178.465 176.870 0.030 0.000 1.301 441 L CA -0.253 54.704 54.840 0.196 0.000 1.004 441 L CB 0.984 43.331 42.059 0.480 0.000 1.402 441 L HN 0.029 nan 8.230 nan 0.000 0.577 442 K N 0.643 120.996 120.400 -0.079 0.000 2.432 442 K HA 0.026 4.346 4.320 0.000 0.000 0.196 442 K C 0.784 177.277 176.600 -0.178 0.000 1.038 442 K CA 0.698 56.931 56.287 -0.089 0.000 0.986 442 K CB 0.366 32.820 32.500 -0.076 0.000 0.782 442 K HN 0.468 nan 8.250 nan 0.000 0.485 443 N N -0.266 118.213 118.700 -0.368 0.000 2.236 443 N HA 0.003 4.743 4.740 0.000 0.000 0.196 443 N C -0.552 174.703 175.510 -0.425 0.000 1.114 443 N CA 0.108 52.903 53.050 -0.424 0.000 0.859 443 N CB 0.425 38.601 38.487 -0.518 0.000 0.982 443 N HN 0.124 nan 8.380 nan 0.000 0.493 444 Y N 1.232 121.389 120.300 -0.239 0.000 2.361 444 Y HA 0.262 4.812 4.550 0.000 0.000 0.332 444 Y C 0.749 176.286 175.900 -0.605 0.000 1.101 444 Y CA -1.114 56.706 58.100 -0.467 0.000 1.137 444 Y CB 1.206 39.282 38.460 -0.640 0.000 1.207 444 Y HN -0.163 nan 8.280 nan 0.000 0.463 445 T N 1.024 115.350 114.554 -0.379 0.000 2.832 445 T HA 0.552 4.902 4.350 0.000 0.000 0.313 445 T C -0.798 173.790 174.700 -0.187 0.000 1.035 445 T CA -0.535 61.421 62.100 -0.240 0.000 0.950 445 T CB -0.429 68.380 68.868 -0.098 0.000 0.984 445 T HN 0.398 nan 8.240 nan 0.000 0.486 446 F N 1.154 121.175 119.950 0.119 0.000 2.556 446 F HA 0.520 5.047 4.527 0.000 0.000 0.327 446 F C 0.291 176.189 175.800 0.163 0.000 1.059 446 F CA -1.739 56.343 58.000 0.137 0.000 0.953 446 F CB 1.419 40.534 39.000 0.193 0.000 1.227 446 F HN 0.491 nan 8.300 nan 0.000 0.478 447 W N 3.199 124.600 121.300 0.168 0.000 2.216 447 W HA 0.165 4.825 4.660 0.000 0.000 0.326 447 W C -0.578 176.064 176.519 0.204 0.000 1.319 447 W CA -0.338 57.091 57.345 0.140 0.000 1.213 447 W CB 0.694 30.204 29.460 0.083 0.000 1.171 447 W HN 0.455 nan 8.180 nan 0.000 0.557 448 E N 3.996 124.489 120.200 0.488 0.000 2.197 448 E HA 0.312 4.662 4.350 0.000 0.000 0.281 448 E C -0.923 175.903 176.600 0.377 0.000 0.995 448 E CA -0.653 55.948 56.400 0.336 0.000 0.808 448 E CB 2.133 31.947 29.700 0.190 0.000 1.093 448 E HN 0.156 nan 8.360 nan 0.000 0.394 449 V N 3.414 123.459 119.914 0.218 0.000 2.385 449 V HA 0.086 4.206 4.120 0.000 0.000 0.277 449 V C -0.285 175.852 176.094 0.072 0.000 1.012 449 V CA -0.900 61.487 62.300 0.144 0.000 0.832 449 V CB 1.556 33.397 31.823 0.031 0.000 1.028 449 V HN 0.495 nan 8.190 nan 0.000 0.436 450 D N 4.713 125.165 120.400 0.087 0.000 2.316 450 D HA 0.307 4.947 4.640 0.000 0.000 0.245 450 D C 0.349 176.695 176.300 0.076 0.000 1.171 450 D CA -0.074 53.964 54.000 0.063 0.000 0.856 450 D CB 1.567 42.408 40.800 0.069 0.000 1.090 450 D HN 0.483 nan 8.370 nan 0.000 0.476 451 L N 3.958 125.222 121.223 0.069 0.000 3.017 451 L HA 0.185 4.526 4.340 0.000 0.000 0.255 451 L C 1.848 178.820 176.870 0.170 0.000 1.247 451 L CA -0.278 54.648 54.840 0.143 0.000 1.038 451 L CB 0.246 42.419 42.059 0.190 0.000 1.380 451 L HN 0.141 nan 8.230 nan 0.000 0.548 452 K N 0.681 121.125 120.400 0.074 0.000 2.097 452 K HA -0.184 4.136 4.320 0.000 0.000 0.206 452 K C 1.496 178.173 176.600 0.128 0.000 1.049 452 K CA 1.281 57.579 56.287 0.018 0.000 0.933 452 K CB 0.143 32.653 32.500 0.017 0.000 0.717 452 K HN 0.030 nan 8.250 nan 0.000 0.442 453 E N 0.176 120.475 120.200 0.165 0.000 2.465 453 E HA 0.041 4.391 4.350 0.000 0.000 0.195 453 E C -0.082 176.664 176.600 0.243 0.000 1.028 453 E CA 0.164 56.686 56.400 0.203 0.000 0.899 453 E CB 0.455 30.244 29.700 0.149 0.000 1.032 453 E HN -0.034 nan 8.360 nan 0.000 0.468 454 K N 0.183 120.752 120.400 0.282 0.000 2.498 454 K HA 0.156 4.476 4.320 0.000 0.000 0.207 454 K C -0.528 176.236 176.600 0.273 0.000 1.033 454 K CA -0.199 56.231 56.287 0.239 0.000 1.138 454 K CB 0.193 32.789 32.500 0.160 0.000 0.860 454 K HN 0.038 nan 8.250 nan 0.000 0.490 455 F N 0.861 120.901 119.950 0.151 0.000 2.371 455 F HA 0.274 4.801 4.527 0.000 0.000 0.329 455 F C 0.878 176.883 175.800 0.342 0.000 1.107 455 F CA -0.439 57.685 58.000 0.207 0.000 1.137 455 F CB 1.442 40.535 39.000 0.155 0.000 1.214 455 F HN -0.216 nan 8.300 nan 0.000 0.536 456 S N 0.630 116.576 115.700 0.410 0.000 2.533 456 S HA 0.662 5.132 4.470 0.000 0.000 0.271 456 S C -0.052 174.608 174.600 0.100 0.000 1.143 456 S CA -0.094 58.317 58.200 0.352 0.000 0.891 456 S CB 1.420 64.811 63.200 0.317 0.000 1.105 456 S HN 0.770 nan 8.310 nan 0.000 0.468 457 A N 2.195 124.973 122.820 -0.071 0.000 2.238 457 A HA 0.269 4.589 4.320 0.000 0.000 0.210 457 A C 0.032 177.538 177.584 -0.131 0.000 1.179 457 A CA 0.180 51.902 52.037 -0.525 0.000 0.827 457 A CB -0.150 18.532 19.000 -0.530 0.000 0.856 457 A HN 0.788 nan 8.150 nan 0.000 0.488 458 D N 1.122 121.557 120.400 0.059 0.000 2.435 458 D HA 0.246 4.886 4.640 0.000 0.000 0.230 458 D C 0.949 177.387 176.300 0.230 0.000 1.215 458 D CA -0.071 53.994 54.000 0.108 0.000 0.947 458 D CB 0.864 41.709 40.800 0.074 0.000 1.048 458 D HN 0.297 nan 8.370 nan 0.000 0.512 459 L N 0.762 122.088 121.223 0.172 0.000 2.141 459 L HA -0.157 4.183 4.340 0.000 0.000 0.209 459 L C 2.067 179.072 176.870 0.226 0.000 1.094 459 L CA 0.780 55.779 54.840 0.265 0.000 0.763 459 L CB -0.203 41.970 42.059 0.191 0.000 0.908 459 L HN 0.214 nan 8.230 nan 0.000 0.437 460 D N 0.188 120.634 120.400 0.077 0.000 2.190 460 D HA -0.221 4.419 4.640 0.000 0.000 0.200 460 D C 1.970 178.187 176.300 -0.139 0.000 0.992 460 D CA 1.139 55.133 54.000 -0.010 0.000 0.854 460 D CB 0.079 40.862 40.800 -0.029 0.000 0.936 460 D HN 0.205 nan 8.370 nan 0.000 0.462 461 Q N -0.741 118.867 119.800 -0.321 0.000 2.557 461 Q HA 0.030 4.371 4.340 0.000 0.000 0.217 461 Q C -0.421 174.933 176.000 -1.076 0.000 0.978 461 Q CA 0.427 55.785 55.803 -0.743 0.000 0.950 461 Q CB -0.223 27.919 28.738 -0.993 0.000 0.991 461 Q HN 0.359 nan 8.270 nan 0.000 0.533 462 F N -0.430 119.431 119.950 -0.148 0.000 2.588 462 F HA 0.310 4.837 4.527 0.000 0.000 0.314 462 F C -1.584 174.190 175.800 -0.044 0.000 1.069 462 F CA -2.658 55.240 58.000 -0.168 0.000 0.931 462 F CB 1.120 39.854 39.000 -0.444 0.000 1.260 462 F HN -0.292 nan 8.300 nan 0.000 0.465 463 P HA -0.153 nan 4.420 nan 0.000 0.215 463 P C 1.924 179.315 177.300 0.153 0.000 1.157 463 P CA 1.413 64.572 63.100 0.099 0.000 0.863 463 P CB 0.737 32.470 31.700 0.055 0.000 0.787 464 L N -0.203 121.127 121.223 0.178 0.000 1.978 464 L HA -0.195 4.146 4.340 0.000 0.000 0.218 464 L C 2.785 179.864 176.870 0.349 0.000 1.075 464 L CA 2.407 57.374 54.840 0.212 0.000 0.767 464 L CB -1.557 40.562 42.059 0.101 0.000 0.890 464 L HN 0.062 nan 8.230 nan 0.000 0.434 465 G N -0.850 108.182 108.800 0.387 0.000 2.556 465 G HA2 -0.351 3.610 3.960 0.000 0.000 0.220 465 G HA3 -0.351 3.610 3.960 0.000 0.000 0.220 465 G C 1.668 176.736 174.900 0.280 0.000 1.156 465 G CA 1.059 46.390 45.100 0.386 0.000 0.766 465 G HN 0.338 nan 8.290 nan 0.000 0.583 466 R N 0.163 120.774 120.500 0.184 0.000 2.096 466 R HA -0.032 4.308 4.340 0.000 0.000 0.235 466 R C 2.741 179.073 176.300 0.053 0.000 1.127 466 R CA 1.514 57.662 56.100 0.081 0.000 0.968 466 R CB -0.172 30.156 30.300 0.047 0.000 0.861 466 R HN 0.363 nan 8.270 nan 0.000 0.440 467 K N -0.401 120.075 120.400 0.126 0.000 2.007 467 K HA -0.135 4.185 4.320 0.000 0.000 0.206 467 K C 1.877 178.431 176.600 -0.076 0.000 1.047 467 K CA 1.254 57.610 56.287 0.114 0.000 0.937 467 K CB -0.353 32.327 32.500 0.301 0.000 0.718 467 K HN 0.031 nan 8.250 nan 0.000 0.438 468 F N 2.566 122.492 119.950 -0.040 0.000 2.015 468 F HA -0.299 4.228 4.527 0.000 0.000 0.297 468 F C 1.862 177.423 175.800 -0.398 0.000 1.141 468 F CA 1.623 59.403 58.000 -0.365 0.000 1.192 468 F CB -0.712 38.231 39.000 -0.096 0.000 0.957 468 F HN -0.104 nan 8.300 nan 0.000 0.491 469 L N -0.447 120.435 121.223 -0.569 0.000 2.021 469 L HA -0.275 4.066 4.340 0.000 0.000 0.215 469 L C 2.476 179.083 176.870 -0.439 0.000 1.074 469 L CA 1.541 56.098 54.840 -0.473 0.000 0.760 469 L CB -1.061 40.914 42.059 -0.140 0.000 0.889 469 L HN 0.380 nan 8.230 nan 0.000 0.433 470 L N -0.454 120.576 121.223 -0.321 0.000 1.988 470 L HA -0.209 4.132 4.340 0.000 0.000 0.207 470 L C 2.614 179.283 176.870 -0.335 0.000 1.071 470 L CA 1.822 56.512 54.840 -0.250 0.000 0.744 470 L CB -1.011 40.955 42.059 -0.155 0.000 0.893 470 L HN 0.309 nan 8.230 nan 0.000 0.433 471 Q N 0.145 119.690 119.800 -0.426 0.000 2.124 471 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 471 Q C 1.900 177.550 176.000 -0.584 0.000 0.977 471 Q CA 1.963 57.479 55.803 -0.479 0.000 0.850 471 Q CB -0.375 28.030 28.738 -0.555 0.000 0.901 471 Q HN 0.610 nan 8.270 nan 0.000 0.429 472 A N -0.100 122.223 122.820 -0.829 0.000 2.225 472 A HA 0.200 4.521 4.320 0.000 0.000 0.215 472 A C 1.464 178.793 177.584 -0.426 0.000 1.164 472 A CA 1.672 53.282 52.037 -0.712 0.000 0.710 472 A CB -0.675 17.695 19.000 -1.050 0.000 0.780 472 A HN 0.722 nan 8.150 nan 0.000 0.473 473 G N -0.653 107.925 108.800 -0.369 0.000 2.866 473 G HA2 -0.266 3.694 3.960 0.000 0.000 0.274 473 G HA3 -0.266 3.694 3.960 0.000 0.000 0.274 473 G C 0.335 175.107 174.900 -0.214 0.000 1.413 473 G CA 0.110 45.068 45.100 -0.236 0.000 0.997 473 G HN 1.206 nan 8.290 nan 0.000 0.559 474 L N 0.000 121.124 121.223 -0.165 0.000 2.949 474 L HA 0.000 4.340 4.340 0.000 0.000 0.249 474 L CA 0.000 54.773 54.840 -0.112 0.000 0.813 474 L CB 0.000 42.021 42.059 -0.064 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502