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 2ww3_1_E DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL MGSQSTFELS TGNTYPAIAR PWGMNFWTPQ TGKMGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIMP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE MTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANMNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY MFTDTGFWDT FRCLFPLLNL MYPSVNKEMQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCMVGNNS ASILVDAYMK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAMNYK NLFDKESKLM RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLMGGKEM FVTMMDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREM TVMNMGNYAH GNQPIQHMIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVMD RMYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VMGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSMSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDMSNRPNL NRGTKEEDMP YSFSKE 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 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.007 176.600 -0.988 0.000 0.988 20 K CA 0.000 55.902 56.287 -0.641 0.000 0.838 20 K CB 0.000 32.078 32.500 -0.704 0.000 1.064 21 D N 0.973 120.837 120.400 -0.893 0.000 2.217 21 D HA 0.612 5.252 4.640 -0.000 0.000 0.243 21 D C 0.315 176.075 176.300 -0.900 0.000 1.054 21 D CA -0.347 53.222 54.000 -0.719 0.000 0.838 21 D CB 0.724 41.279 40.800 -0.408 0.000 1.162 21 D HN 0.555 nan 8.370 nan 0.000 0.472 22 W N 2.196 123.387 121.300 -0.181 0.000 3.058 22 W HA 0.021 4.681 4.660 -0.000 0.000 0.306 22 W C 1.810 178.202 176.519 -0.211 0.000 1.188 22 W CA 0.436 57.608 57.345 -0.287 0.000 1.651 22 W CB -0.190 28.956 29.460 -0.524 0.000 1.051 22 W HN 0.560 nan 8.180 nan 0.000 0.592 23 T N -0.771 113.804 114.554 0.035 0.000 2.962 23 T HA -0.274 4.076 4.350 -0.000 0.000 0.270 23 T C 1.702 176.368 174.700 -0.056 0.000 1.088 23 T CA 1.543 63.669 62.100 0.043 0.000 1.127 23 T CB -0.390 68.588 68.868 0.184 0.000 0.883 23 T HN 0.355 nan 8.240 nan 0.000 0.493 24 Q N 0.020 119.696 119.800 -0.206 0.000 2.297 24 Q HA -0.175 4.165 4.340 -0.000 0.000 0.208 24 Q C 1.322 177.173 176.000 -0.249 0.000 0.981 24 Q CA 1.469 57.091 55.803 -0.302 0.000 0.876 24 Q CB -0.816 27.605 28.738 -0.528 0.000 0.921 24 Q HN 0.648 nan 8.270 nan 0.000 0.446 25 Y N 0.490 120.815 120.300 0.040 0.000 2.482 25 Y HA 0.239 4.789 4.550 -0.000 0.000 0.270 25 Y C 0.560 176.527 175.900 0.111 0.000 1.152 25 Y CA -0.550 57.632 58.100 0.137 0.000 1.292 25 Y CB 0.727 39.371 38.460 0.306 0.000 1.070 25 Y HN -0.118 nan 8.280 nan 0.000 0.528 26 V N 2.174 122.155 119.914 0.112 0.000 2.455 26 V HA 0.084 4.204 4.120 -0.000 0.000 0.273 26 V C -0.129 175.873 176.094 -0.152 0.000 1.045 26 V CA -0.572 61.695 62.300 -0.055 0.000 0.976 26 V CB 0.791 32.422 31.823 -0.320 0.000 0.993 26 V HN 0.232 nan 8.190 nan 0.000 0.475 27 N N 7.136 125.776 118.700 -0.101 0.000 2.621 27 N HA 0.398 5.138 4.740 -0.000 0.000 0.237 27 N C -1.964 173.482 175.510 -0.106 0.000 0.997 27 N CA -2.239 50.758 53.050 -0.088 0.000 0.918 27 N CB 1.979 40.460 38.487 -0.010 0.000 1.122 27 N HN 0.203 nan 8.380 nan 0.000 0.510 28 P HA -0.008 nan 4.420 nan 0.000 0.228 28 P C 0.866 178.186 177.300 0.033 0.000 1.151 28 P CA 0.822 63.856 63.100 -0.109 0.000 0.770 28 P CB 0.284 31.857 31.700 -0.211 0.000 0.786 29 L N -2.365 118.891 121.223 0.056 0.000 2.492 29 L HA 0.118 4.458 4.340 -0.000 0.000 0.223 29 L C 1.420 178.363 176.870 0.121 0.000 1.132 29 L CA -0.041 54.886 54.840 0.145 0.000 0.850 29 L CB -0.629 41.563 42.059 0.220 0.000 0.966 29 L HN 0.082 nan 8.230 nan 0.000 0.454 30 M N 1.226 120.873 119.600 0.079 0.000 2.427 30 M HA 0.125 4.605 4.480 -0.000 0.000 0.345 30 M C 0.980 177.392 176.300 0.186 0.000 1.653 30 M CA 1.183 56.514 55.300 0.052 0.000 1.138 30 M CB -0.010 32.583 32.600 -0.012 0.000 1.995 30 M HN 0.299 nan 8.290 nan 0.000 0.459 31 G N 1.925 110.833 108.800 0.181 0.000 2.184 31 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.206 31 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.206 31 G C 0.639 175.686 174.900 0.244 0.000 0.995 31 G CA 0.465 45.742 45.100 0.294 0.000 0.651 31 G HN 0.845 nan 8.290 nan 0.000 0.511 32 S N -0.605 115.252 115.700 0.262 0.000 2.489 32 S HA 0.129 4.599 4.470 -0.000 0.000 0.228 32 S C 1.218 176.020 174.600 0.337 0.000 0.995 32 S CA 1.294 59.718 58.200 0.373 0.000 0.934 32 S CB 0.088 63.645 63.200 0.594 0.000 0.771 32 S HN 0.604 nan 8.310 nan 0.000 0.522 33 Q N 1.725 121.663 119.800 0.230 0.000 3.184 33 Q HA 0.396 4.736 4.340 -0.000 0.000 0.288 33 Q C -1.073 175.026 176.000 0.164 0.000 1.412 33 Q CA -0.233 55.682 55.803 0.187 0.000 0.991 33 Q CB -0.218 28.550 28.738 0.050 0.000 1.688 33 Q HN 0.338 nan 8.270 nan 0.000 0.554 34 S N 0.343 116.175 115.700 0.220 0.000 2.548 34 S HA 0.628 5.098 4.470 -0.000 0.000 0.286 34 S C -0.681 174.053 174.600 0.224 0.000 1.098 34 S CA -0.654 57.683 58.200 0.228 0.000 0.930 34 S CB 1.882 65.259 63.200 0.296 0.000 1.070 34 S HN 0.610 nan 8.310 nan 0.000 0.480 35 T N -0.684 113.940 114.554 0.117 0.000 2.907 35 T HA 0.540 4.890 4.350 -0.000 0.000 0.290 35 T C 0.690 175.347 174.700 -0.070 0.000 1.066 35 T CA -0.738 61.309 62.100 -0.088 0.000 1.012 35 T CB 0.595 69.419 68.868 -0.073 0.000 1.184 35 T HN 0.386 nan 8.240 nan 0.000 0.522 36 F N 1.240 120.898 119.950 -0.487 0.000 2.202 36 F HA 0.018 4.545 4.527 -0.000 0.000 0.301 36 F C 1.966 177.790 175.800 0.041 0.000 1.082 36 F CA 1.589 59.429 58.000 -0.267 0.000 1.313 36 F CB -0.284 38.447 39.000 -0.448 0.000 1.024 36 F HN 0.662 nan 8.300 nan 0.000 0.495 37 E N 0.126 120.312 120.200 -0.024 0.000 2.158 37 E HA 0.079 4.429 4.350 -0.000 0.000 0.191 37 E C -0.268 176.316 176.600 -0.026 0.000 0.982 37 E CA 0.794 57.165 56.400 -0.049 0.000 0.823 37 E CB 0.121 29.840 29.700 0.032 0.000 0.766 37 E HN 0.297 nan 8.360 nan 0.000 0.468 38 L N -0.159 121.067 121.223 0.005 0.000 2.611 38 L HA 0.334 4.674 4.340 -0.000 0.000 0.263 38 L C -0.926 175.980 176.870 0.060 0.000 0.969 38 L CA -0.364 54.502 54.840 0.044 0.000 0.894 38 L CB 1.864 43.940 42.059 0.029 0.000 1.229 38 L HN -0.167 nan 8.230 nan 0.000 0.416 39 S N 1.699 117.442 115.700 0.071 0.000 2.548 39 S HA 0.453 4.923 4.470 -0.000 0.000 0.277 39 S C 0.873 175.544 174.600 0.118 0.000 1.315 39 S CA 0.360 58.614 58.200 0.090 0.000 1.050 39 S CB 0.624 63.864 63.200 0.067 0.000 0.918 39 S HN 0.783 nan 8.310 nan 0.000 0.497 40 T N 1.091 115.727 114.554 0.137 0.000 3.228 40 T HA 0.563 4.913 4.350 -0.000 0.000 0.278 40 T C 1.004 175.848 174.700 0.241 0.000 1.014 40 T CA 0.163 62.353 62.100 0.149 0.000 0.904 40 T CB 0.178 69.110 68.868 0.107 0.000 1.110 40 T HN 1.117 nan 8.240 nan 0.000 0.541 41 G N 1.577 110.491 108.800 0.189 0.000 3.211 41 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.202 41 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.202 41 G C 0.170 175.101 174.900 0.051 0.000 1.035 41 G CA -0.221 44.954 45.100 0.124 0.000 0.846 41 G HN 0.359 nan 8.290 nan 0.000 0.464 42 N N 1.507 120.268 118.700 0.102 0.000 2.725 42 N HA -0.148 4.592 4.740 -0.000 0.000 0.251 42 N C 0.400 175.904 175.510 -0.010 0.000 1.031 42 N CA 1.921 54.979 53.050 0.013 0.000 0.720 42 N CB -1.580 36.858 38.487 -0.082 0.000 0.930 42 N HN 1.358 nan 8.380 nan 0.000 0.543 43 T N -2.443 112.160 114.554 0.081 0.000 2.948 43 T HA 0.747 5.097 4.350 -0.000 0.000 0.285 43 T C -0.012 174.785 174.700 0.161 0.000 1.019 43 T CA -0.765 61.366 62.100 0.051 0.000 1.013 43 T CB 1.998 70.904 68.868 0.063 0.000 1.117 43 T HN 0.237 nan 8.240 nan 0.000 0.533 44 Y N -1.902 118.468 120.300 0.116 0.000 2.602 44 Y HA 0.760 5.310 4.550 -0.000 0.000 0.342 44 Y C -3.050 172.855 175.900 0.008 0.000 1.029 44 Y CA -3.726 54.426 58.100 0.087 0.000 1.080 44 Y CB 0.327 38.833 38.460 0.077 0.000 1.284 44 Y HN 0.372 nan 8.280 nan 0.000 0.485 45 P HA 0.241 nan 4.420 nan 0.000 0.271 45 P C -0.702 176.587 177.300 -0.018 0.000 1.380 45 P CA 0.031 63.071 63.100 -0.100 0.000 0.992 45 P CB 0.282 31.822 31.700 -0.266 0.000 1.230 46 A N 6.148 128.928 122.820 -0.066 0.000 2.544 46 A HA 0.278 4.598 4.320 -0.000 0.000 0.301 46 A C 0.370 177.890 177.584 -0.106 0.000 1.368 46 A CA -0.351 51.604 52.037 -0.138 0.000 1.045 46 A CB -0.672 18.013 19.000 -0.524 0.000 1.129 46 A HN 0.363 nan 8.150 nan 0.000 0.540 47 I N 2.163 122.710 120.570 -0.038 0.000 2.322 47 I HA 0.542 4.712 4.170 -0.000 0.000 0.292 47 I C 0.585 176.743 176.117 0.069 0.000 1.060 47 I CA 0.206 61.504 61.300 -0.004 0.000 1.309 47 I CB -0.427 37.564 38.000 -0.015 0.000 1.415 47 I HN 0.698 nan 8.210 nan 0.000 0.492 48 A N 7.144 130.035 122.820 0.118 0.000 2.583 48 A HA 0.650 4.970 4.320 -0.000 0.000 0.292 48 A C -0.491 177.317 177.584 0.374 0.000 1.045 48 A CA -0.909 51.222 52.037 0.155 0.000 0.672 48 A CB 1.537 20.340 19.000 -0.327 0.000 1.283 48 A HN 0.466 nan 8.150 nan 0.000 0.419 49 R N 0.127 120.775 120.500 0.248 0.000 2.560 49 R HA 0.459 4.799 4.340 -0.000 0.000 0.270 49 R C -2.618 173.577 176.300 -0.176 0.000 1.074 49 R CA -1.920 54.204 56.100 0.039 0.000 1.140 49 R CB -0.297 30.014 30.300 0.018 0.000 1.073 49 R HN 0.425 nan 8.270 nan 0.000 0.527 50 P HA -0.112 nan 4.420 nan 0.000 0.262 50 P C -0.242 176.876 177.300 -0.303 0.000 1.182 50 P CA 0.372 62.843 63.100 -1.049 0.000 0.761 50 P CB 0.194 31.050 31.700 -1.406 0.000 0.795 51 W N 0.326 121.653 121.300 0.045 0.000 4.973 51 W HA -0.160 4.500 4.660 -0.000 0.000 0.350 51 W C 0.704 177.344 176.519 0.202 0.000 1.280 51 W CA 0.857 58.307 57.345 0.175 0.000 0.854 51 W CB -2.504 27.096 29.460 0.234 0.000 2.367 51 W HN 0.499 nan 8.180 nan 0.000 1.511 52 G N 1.013 110.064 108.800 0.418 0.000 2.321 52 G HA2 0.145 4.105 3.960 -0.000 0.000 0.237 52 G HA3 0.145 4.105 3.960 -0.000 0.000 0.237 52 G C 0.905 175.984 174.900 0.298 0.000 1.282 52 G CA 0.321 45.652 45.100 0.386 0.000 0.886 52 G HN 0.319 nan 8.290 nan 0.000 0.528 53 M N 1.917 121.627 119.600 0.182 0.000 2.159 53 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 53 M C 0.117 176.569 176.300 0.253 0.000 1.063 53 M CA 1.185 56.594 55.300 0.181 0.000 1.110 53 M CB 0.000 32.670 32.600 0.115 0.000 1.374 53 M HN 0.425 nan 8.290 nan 0.000 0.411 54 N N 0.053 118.890 118.700 0.229 0.000 2.354 54 N HA 0.317 5.057 4.740 -0.000 0.000 0.287 54 N C -1.675 173.987 175.510 0.253 0.000 1.016 54 N CA -0.306 52.804 53.050 0.101 0.000 0.871 54 N CB 1.389 39.968 38.487 0.153 0.000 1.299 54 N HN -0.010 nan 8.380 nan 0.000 0.482 55 F N 0.601 120.393 119.950 -0.263 0.000 2.507 55 F HA 0.528 5.055 4.527 -0.000 0.000 0.327 55 F C -0.194 175.379 175.800 -0.379 0.000 1.068 55 F CA -1.228 56.698 58.000 -0.122 0.000 0.965 55 F CB 0.978 39.954 39.000 -0.040 0.000 1.192 55 F HN 0.315 nan 8.300 nan 0.000 0.476 56 W N 0.310 121.675 121.300 0.108 0.000 2.819 56 W HA 0.578 5.238 4.660 0.000 0.000 0.337 56 W C -0.402 176.088 176.519 -0.048 0.000 1.077 56 W CA -0.598 56.741 57.345 -0.011 0.000 1.226 56 W CB 2.201 31.638 29.460 -0.038 0.000 1.419 56 W HN 0.404 nan 8.180 nan 0.000 0.502 57 T N 3.885 118.512 114.554 0.122 0.000 2.956 57 T HA 0.452 4.802 4.350 -0.000 0.000 0.312 57 T C -2.824 171.821 174.700 -0.093 0.000 1.151 57 T CA -2.102 59.967 62.100 -0.052 0.000 1.024 57 T CB 1.357 70.209 68.868 -0.026 0.000 1.140 57 T HN 0.090 nan 8.240 nan 0.000 0.473 58 P HA 0.107 nan 4.420 nan 0.000 0.267 58 P C -1.124 176.131 177.300 -0.074 0.000 1.200 58 P CA -0.008 62.940 63.100 -0.253 0.000 0.772 58 P CB 0.444 31.980 31.700 -0.274 0.000 0.855 59 Q N 1.277 120.983 119.800 -0.157 0.000 2.327 59 Q HA 0.291 4.631 4.340 -0.000 0.000 0.270 59 Q C 0.468 176.413 176.000 -0.091 0.000 1.022 59 Q CA -0.427 55.342 55.803 -0.057 0.000 0.773 59 Q CB 1.121 29.818 28.738 -0.070 0.000 1.251 59 Q HN 0.517 nan 8.270 nan 0.000 0.457 60 T N -0.098 114.432 114.554 -0.041 0.000 3.040 60 T HA 0.247 4.597 4.350 -0.000 0.000 0.252 60 T C 0.929 175.579 174.700 -0.083 0.000 1.064 60 T CA 0.440 62.479 62.100 -0.101 0.000 1.110 60 T CB 0.175 68.948 68.868 -0.159 0.000 0.921 60 T HN 0.521 nan 8.240 nan 0.000 0.480 61 G N 1.425 110.202 108.800 -0.038 0.000 2.606 61 G HA2 0.437 4.397 3.960 -0.000 0.000 0.252 61 G HA3 0.437 4.397 3.960 -0.000 0.000 0.252 61 G C -0.572 174.292 174.900 -0.061 0.000 1.206 61 G CA -0.831 44.253 45.100 -0.028 0.000 0.861 61 G HN 0.438 nan 8.290 nan 0.000 0.561 62 K N 0.464 120.821 120.400 -0.072 0.000 2.319 62 K HA 0.101 4.421 4.320 -0.000 0.000 0.265 62 K C 0.851 177.373 176.600 -0.130 0.000 1.000 62 K CA -0.273 55.950 56.287 -0.108 0.000 0.943 62 K CB 0.903 33.343 32.500 -0.100 0.000 0.950 62 K HN 0.557 nan 8.250 nan 0.000 0.485 63 M N 1.568 121.029 119.600 -0.231 0.000 2.255 63 M HA -0.127 4.353 4.480 -0.000 0.000 0.356 63 M C 0.831 177.013 176.300 -0.197 0.000 1.338 63 M CA 2.102 57.185 55.300 -0.362 0.000 0.962 63 M CB -0.187 31.979 32.600 -0.723 0.000 1.877 63 M HN 0.984 nan 8.290 nan 0.000 0.463 64 G N 3.006 111.753 108.800 -0.087 0.000 2.268 64 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.240 64 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.240 64 G C -0.110 174.792 174.900 0.005 0.000 1.010 64 G CA 0.230 45.319 45.100 -0.019 0.000 0.618 64 G HN 0.814 nan 8.290 nan 0.000 0.516 65 D N 1.544 121.946 120.400 0.003 0.000 2.348 65 D HA 0.448 5.088 4.640 -0.000 0.000 0.253 65 D C 1.746 178.077 176.300 0.053 0.000 1.161 65 D CA 0.719 54.752 54.000 0.054 0.000 0.876 65 D CB 0.750 41.587 40.800 0.060 0.000 1.160 65 D HN 0.266 nan 8.370 nan 0.000 0.459 66 G N 3.883 112.710 108.800 0.045 0.000 2.475 66 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 66 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 66 G C 0.732 175.468 174.900 -0.273 0.000 1.125 66 G CA -0.008 44.977 45.100 -0.192 0.000 0.755 66 G HN 0.606 nan 8.290 nan 0.000 0.565 67 W N 2.188 123.422 121.300 -0.110 0.000 1.664 67 W HA 0.223 4.883 4.660 -0.000 0.000 0.428 67 W C 1.495 177.998 176.519 -0.026 0.000 0.726 67 W CA -0.372 56.938 57.345 -0.058 0.000 1.774 67 W CB -0.096 29.325 29.460 -0.065 0.000 1.801 67 W HN 0.545 nan 8.180 nan 0.000 0.243 68 Q N 0.929 120.769 119.800 0.067 0.000 2.311 68 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 68 Q C -0.061 176.019 176.000 0.134 0.000 0.954 68 Q CA 1.131 56.957 55.803 0.039 0.000 0.885 68 Q CB 0.150 28.830 28.738 -0.097 0.000 0.963 68 Q HN 0.381 nan 8.270 nan 0.000 0.471 69 Y N 1.247 121.596 120.300 0.082 0.000 2.361 69 Y HA 0.370 4.920 4.550 -0.000 0.000 0.328 69 Y C -1.410 174.618 175.900 0.214 0.000 1.044 69 Y CA -0.623 57.556 58.100 0.132 0.000 1.085 69 Y CB 2.091 40.638 38.460 0.145 0.000 1.194 69 Y HN 0.095 nan 8.280 nan 0.000 0.438 70 T N 1.988 116.431 114.554 -0.184 0.000 2.861 70 T HA 0.188 4.538 4.350 -0.000 0.000 0.287 70 T C 0.220 174.846 174.700 -0.123 0.000 1.003 70 T CA -0.568 61.546 62.100 0.025 0.000 0.977 70 T CB 1.212 70.135 68.868 0.092 0.000 0.996 70 T HN 0.756 nan 8.240 nan 0.000 0.448 71 Y N 3.023 123.348 120.300 0.042 0.000 2.207 71 Y HA -0.175 4.375 4.550 -0.000 0.000 0.287 71 Y C 2.690 178.679 175.900 0.149 0.000 1.156 71 Y CA 2.530 60.699 58.100 0.114 0.000 1.182 71 Y CB -0.260 38.238 38.460 0.063 0.000 0.979 71 Y HN 0.880 nan 8.280 nan 0.000 0.521 72 T N -1.563 113.063 114.554 0.119 0.000 3.148 72 T HA 0.299 4.649 4.350 -0.000 0.000 0.253 72 T C 0.762 175.393 174.700 -0.114 0.000 1.134 72 T CA 0.173 62.289 62.100 0.027 0.000 1.051 72 T CB -0.625 68.272 68.868 0.050 0.000 0.959 72 T HN 0.357 nan 8.240 nan 0.000 0.525 73 A N 1.942 124.664 122.820 -0.162 0.000 2.440 73 A HA 0.409 4.729 4.320 -0.000 0.000 0.251 73 A C 1.178 178.537 177.584 -0.375 0.000 1.089 73 A CA -0.658 51.243 52.037 -0.227 0.000 0.779 73 A CB 0.203 19.092 19.000 -0.184 0.000 1.022 73 A HN 0.294 nan 8.150 nan 0.000 0.492 74 N N 0.803 119.193 118.700 -0.517 0.000 2.409 74 N HA -0.007 4.733 4.740 -0.000 0.000 0.179 74 N C -0.093 174.997 175.510 -0.701 0.000 1.032 74 N CA 1.116 53.615 53.050 -0.917 0.000 0.898 74 N CB 0.081 37.610 38.487 -1.596 0.000 0.971 74 N HN 0.644 nan 8.380 nan 0.000 0.441 75 K N 0.291 120.503 120.400 -0.313 0.000 2.426 75 K HA 0.470 4.790 4.320 -0.000 0.000 0.251 75 K C -0.764 175.836 176.600 -0.001 0.000 0.941 75 K CA -0.582 55.639 56.287 -0.109 0.000 0.808 75 K CB 2.629 34.962 32.500 -0.278 0.000 1.265 75 K HN -0.160 nan 8.250 nan 0.000 0.432 76 I N 2.958 123.489 120.570 -0.065 0.000 2.359 76 I HA 0.267 4.437 4.170 -0.000 0.000 0.294 76 I C 1.368 177.359 176.117 -0.210 0.000 0.987 76 I CA -0.398 60.751 61.300 -0.252 0.000 1.225 76 I CB 1.150 38.860 38.000 -0.483 0.000 1.366 76 I HN 0.632 nan 8.210 nan 0.000 0.466 77 R N 4.156 124.524 120.500 -0.219 0.000 2.476 77 R HA 0.505 4.845 4.340 -0.000 0.000 0.276 77 R C 0.194 176.392 176.300 -0.171 0.000 0.941 77 R CA -0.145 55.859 56.100 -0.159 0.000 1.088 77 R CB 0.973 31.190 30.300 -0.138 0.000 1.216 77 R HN 0.733 nan 8.270 nan 0.000 0.533 78 G N 0.664 109.289 108.800 -0.291 0.000 2.328 78 G HA2 0.400 4.360 3.960 -0.000 0.000 0.295 78 G HA3 0.400 4.360 3.960 -0.000 0.000 0.295 78 G C -1.926 172.690 174.900 -0.473 0.000 1.413 78 G CA -0.938 44.019 45.100 -0.238 0.000 0.817 78 G HN 0.028 nan 8.290 nan 0.000 0.546 79 F N 0.818 120.850 119.950 0.136 0.000 2.426 79 F HA 0.675 5.202 4.527 -0.000 0.000 0.348 79 F C 0.481 176.442 175.800 0.268 0.000 1.124 79 F CA -0.704 57.443 58.000 0.244 0.000 1.008 79 F CB 2.499 41.793 39.000 0.490 0.000 1.139 79 F HN 0.352 nan 8.300 nan 0.000 0.452 80 K N 3.464 124.013 120.400 0.248 0.000 2.376 80 K HA 0.272 4.592 4.320 -0.000 0.000 0.257 80 K C -0.800 175.415 176.600 -0.642 0.000 0.939 80 K CA -0.704 55.477 56.287 -0.176 0.000 0.809 80 K CB 1.605 33.991 32.500 -0.190 0.000 1.121 80 K HN 0.757 nan 8.250 nan 0.000 0.425 81 Q N 2.757 121.637 119.800 -1.533 0.000 2.297 81 Q HA 0.059 4.399 4.340 -0.000 0.000 0.267 81 Q C -1.100 174.255 176.000 -1.075 0.000 1.006 81 Q CA 0.559 55.219 55.803 -1.905 0.000 0.896 81 Q CB 1.003 28.454 28.738 -2.145 0.000 1.186 81 Q HN 0.625 nan 8.270 nan 0.000 0.392 82 T N 2.572 116.580 114.554 -0.909 0.000 2.903 82 T HA 0.394 4.744 4.350 -0.000 0.000 0.299 82 T C -0.827 173.390 174.700 -0.805 0.000 1.093 82 T CA -0.506 61.192 62.100 -0.670 0.000 1.002 82 T CB 0.959 69.514 68.868 -0.521 0.000 1.127 82 T HN 0.793 nan 8.240 nan 0.000 0.488 83 H N 0.786 119.640 119.070 -0.361 0.000 3.078 83 H HA 0.344 4.900 4.556 -0.000 0.000 0.263 83 H C 0.546 175.845 175.328 -0.050 0.000 1.177 83 H CA -0.368 55.465 56.048 -0.358 0.000 1.128 83 H CB 0.636 29.923 29.762 -0.791 0.000 1.623 83 H HN 0.457 nan 8.280 nan 0.000 0.592 84 Q N 3.551 123.397 119.800 0.077 0.000 2.255 84 Q HA 0.024 4.364 4.340 -0.000 0.000 0.280 84 Q C -1.648 174.617 176.000 0.441 0.000 1.068 84 Q CA -1.469 54.451 55.803 0.195 0.000 0.911 84 Q CB 1.059 29.806 28.738 0.016 0.000 1.157 84 Q HN 0.186 nan 8.270 nan 0.000 0.380 85 P HA 0.003 nan 4.420 nan 0.000 0.230 85 P C -0.613 176.693 177.300 0.009 0.000 1.168 85 P CA 0.560 63.689 63.100 0.049 0.000 0.793 85 P CB 0.476 32.323 31.700 0.246 0.000 0.851 86 S N -2.609 113.124 115.700 0.056 0.000 2.586 86 S HA 0.335 4.805 4.470 -0.000 0.000 0.277 86 S C -2.749 171.711 174.600 -0.233 0.000 1.131 86 S CA -1.041 57.136 58.200 -0.039 0.000 0.848 86 S CB 1.292 64.556 63.200 0.106 0.000 1.091 86 S HN -0.241 nan 8.310 nan 0.000 0.453 87 P HA 0.003 nan 4.420 nan 0.000 0.225 87 P C 0.577 177.391 177.300 -0.810 0.000 1.148 87 P CA 0.961 63.471 63.100 -0.984 0.000 0.779 87 P CB -0.223 30.248 31.700 -2.049 0.000 0.780 88 W N -0.456 120.714 121.300 -0.216 0.000 2.481 88 W HA 0.058 4.718 4.660 -0.000 0.000 0.293 88 W C 2.274 178.699 176.519 -0.156 0.000 1.201 88 W CA -0.209 57.066 57.345 -0.117 0.000 1.328 88 W CB -0.718 28.694 29.460 -0.080 0.000 1.112 88 W HN -0.224 nan 8.180 nan 0.000 0.546 89 I N 0.135 120.678 120.570 -0.045 0.000 2.716 89 I HA -0.103 4.067 4.170 -0.000 0.000 0.259 89 I C 1.229 177.302 176.117 -0.074 0.000 1.172 89 I CA 0.962 62.163 61.300 -0.165 0.000 1.478 89 I CB -1.490 36.301 38.000 -0.347 0.000 1.104 89 I HN 0.165 nan 8.210 nan 0.000 0.439 90 N N 1.117 119.776 118.700 -0.069 0.000 6.260 90 N HA -0.223 4.517 4.740 -0.000 0.000 0.382 90 N C -0.271 175.263 175.510 0.041 0.000 0.928 90 N CA 1.133 54.159 53.050 -0.040 0.000 1.195 90 N CB -0.383 38.090 38.487 -0.023 0.000 0.819 90 N HN 0.189 nan 8.380 nan 0.000 0.400 91 D N -0.874 119.563 120.400 0.062 0.000 2.414 91 D HA 0.743 5.383 4.640 -0.000 0.000 0.241 91 D C -0.903 175.520 176.300 0.206 0.000 1.008 91 D CA 0.044 54.092 54.000 0.081 0.000 1.001 91 D CB 0.996 41.790 40.800 -0.010 0.000 1.277 91 D HN 0.456 nan 8.370 nan 0.000 0.538 92 Y N -2.732 117.646 120.300 0.130 0.000 2.641 92 Y HA 0.466 5.016 4.550 -0.000 0.000 0.333 92 Y C 0.113 176.279 175.900 0.444 0.000 1.174 92 Y CA -0.941 57.267 58.100 0.180 0.000 1.057 92 Y CB 0.843 39.286 38.460 -0.029 0.000 1.322 92 Y HN 0.534 nan 8.280 nan 0.000 0.457 93 G N 2.203 111.416 108.800 0.688 0.000 2.333 93 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.296 93 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.296 93 G C -0.853 174.202 174.900 0.257 0.000 1.059 93 G CA 0.299 45.780 45.100 0.635 0.000 1.050 93 G HN 1.009 nan 8.290 nan 0.000 0.508 94 Q N -0.883 118.945 119.800 0.047 0.000 2.337 94 Q HA 0.846 5.186 4.340 -0.000 0.000 0.270 94 Q C -0.313 175.301 176.000 -0.643 0.000 1.043 94 Q CA -1.238 54.327 55.803 -0.398 0.000 0.794 94 Q CB 2.124 30.594 28.738 -0.445 0.000 1.281 94 Q HN 1.049 nan 8.270 nan 0.000 0.446 95 F N -0.992 118.412 119.950 -0.910 0.000 2.745 95 F HA 0.848 5.375 4.527 -0.000 0.000 0.316 95 F C -1.300 174.180 175.800 -0.535 0.000 1.155 95 F CA -0.729 56.768 58.000 -0.838 0.000 0.937 95 F CB 1.466 40.052 39.000 -0.690 0.000 1.361 95 F HN 0.738 nan 8.300 nan 0.000 0.472 96 S N 1.230 116.875 115.700 -0.092 0.000 2.596 96 S HA 0.813 5.283 4.470 -0.000 0.000 0.270 96 S C -1.879 172.830 174.600 0.182 0.000 1.155 96 S CA -0.743 57.454 58.200 -0.005 0.000 0.827 96 S CB 1.946 65.226 63.200 0.134 0.000 1.130 96 S HN 1.241 nan 8.310 nan 0.000 0.467 97 I N 1.250 121.922 120.570 0.171 0.000 2.647 97 I HA 0.770 4.940 4.170 -0.000 0.000 0.295 97 I C -1.909 174.324 176.117 0.193 0.000 1.078 97 I CA -1.123 60.264 61.300 0.145 0.000 1.048 97 I CB 2.100 40.100 38.000 0.000 0.000 1.239 97 I HN 0.921 nan 8.210 nan 0.000 0.421 98 M N 10.545 130.213 119.600 0.113 0.000 2.238 98 M HA 0.560 5.040 4.480 -0.000 0.000 0.278 98 M C -2.927 173.340 176.300 -0.055 0.000 1.040 98 M CA -1.821 53.544 55.300 0.110 0.000 0.969 98 M CB 2.336 34.960 32.600 0.040 0.000 1.694 98 M HN 0.128 nan 8.290 nan 0.000 0.472 99 P HA 0.576 nan 4.420 nan 0.000 0.288 99 P C -1.163 176.011 177.300 -0.211 0.000 1.267 99 P CA -0.328 62.614 63.100 -0.264 0.000 0.815 99 P CB 0.805 32.140 31.700 -0.609 0.000 0.989 100 I N 0.426 120.896 120.570 -0.167 0.000 3.279 100 I HA 0.811 4.981 4.170 -0.000 0.000 0.315 100 I C -1.041 175.040 176.117 -0.060 0.000 1.225 100 I CA -1.478 59.494 61.300 -0.547 0.000 0.947 100 I CB 2.284 39.978 38.000 -0.510 0.000 1.293 100 I HN 0.235 nan 8.210 nan 0.000 0.468 101 V N -0.669 119.232 119.914 -0.021 0.000 3.130 101 V HA 1.014 5.134 4.120 -0.000 0.000 0.310 101 V C 0.319 176.549 176.094 0.226 0.000 1.158 101 V CA 0.375 62.790 62.300 0.192 0.000 1.029 101 V CB 0.720 32.682 31.823 0.232 0.000 1.057 101 V HN 1.903 nan 8.190 nan 0.000 0.436 102 G N 1.082 110.023 108.800 0.235 0.000 3.692 102 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.265 102 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.265 102 G C -0.149 174.848 174.900 0.162 0.000 1.733 102 G CA 0.352 45.564 45.100 0.186 0.000 1.144 102 G HN 1.111 nan 8.290 nan 0.000 0.602 103 Q N 2.190 122.019 119.800 0.047 0.000 2.309 103 Q HA 0.518 4.858 4.340 -0.000 0.000 0.264 103 Q C -2.498 173.280 176.000 -0.370 0.000 1.008 103 Q CA -1.762 53.964 55.803 -0.129 0.000 0.853 103 Q CB 2.196 30.869 28.738 -0.108 0.000 1.314 103 Q HN 0.494 nan 8.270 nan 0.000 0.448 104 P HA 0.064 nan 4.420 nan 0.000 0.277 104 P C -0.512 176.546 177.300 -0.403 0.000 1.354 104 P CA -0.107 62.402 63.100 -0.986 0.000 0.891 104 P CB 0.192 31.159 31.700 -1.222 0.000 1.058 105 V N 1.513 121.274 119.914 -0.255 0.000 2.495 105 V HA 0.387 4.507 4.120 -0.000 0.000 0.298 105 V C 0.574 176.655 176.094 -0.022 0.000 1.031 105 V CA -0.698 61.541 62.300 -0.101 0.000 0.871 105 V CB 1.480 33.264 31.823 -0.066 0.000 0.988 105 V HN 0.266 nan 8.190 nan 0.000 0.432 106 F N 2.630 122.504 119.950 -0.128 0.000 2.387 106 F HA 0.275 4.802 4.527 -0.000 0.000 0.294 106 F C 1.299 177.050 175.800 -0.081 0.000 1.093 106 F CA 0.371 58.305 58.000 -0.110 0.000 1.420 106 F CB 0.034 38.956 39.000 -0.131 0.000 1.086 106 F HN 0.826 nan 8.300 nan 0.000 0.531 107 D N 1.299 121.661 120.400 -0.062 0.000 2.581 107 D HA -0.133 4.507 4.640 -0.000 0.000 0.238 107 D C 1.387 177.567 176.300 -0.199 0.000 1.145 107 D CA 0.646 54.573 54.000 -0.122 0.000 0.866 107 D CB 0.508 41.285 40.800 -0.038 0.000 1.151 107 D HN 0.615 nan 8.370 nan 0.000 0.500 108 E N 2.559 122.614 120.200 -0.242 0.000 2.333 108 E HA -0.234 4.116 4.350 -0.000 0.000 0.198 108 E C 0.785 177.300 176.600 -0.142 0.000 1.007 108 E CA 1.091 57.357 56.400 -0.223 0.000 0.845 108 E CB 0.033 29.596 29.700 -0.228 0.000 0.766 108 E HN 0.675 nan 8.360 nan 0.000 0.507 109 E N 0.414 120.549 120.200 -0.107 0.000 2.127 109 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 109 E C 1.785 178.351 176.600 -0.056 0.000 0.964 109 E CA 0.341 56.692 56.400 -0.082 0.000 0.832 109 E CB 0.136 29.795 29.700 -0.068 0.000 0.790 109 E HN 0.011 nan 8.360 nan 0.000 0.465 110 K N 1.260 121.632 120.400 -0.047 0.000 2.283 110 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 110 K C 1.970 178.576 176.600 0.009 0.000 1.048 110 K CA 0.898 57.174 56.287 -0.019 0.000 0.948 110 K CB -0.230 32.258 32.500 -0.019 0.000 0.742 110 K HN 0.146 nan 8.250 nan 0.000 0.458 111 R N -0.396 120.097 120.500 -0.012 0.000 2.297 111 R HA 0.293 4.633 4.340 -0.000 0.000 0.197 111 R C 0.575 176.955 176.300 0.133 0.000 0.943 111 R CA 0.212 56.340 56.100 0.047 0.000 1.038 111 R CB 0.003 30.273 30.300 -0.049 0.000 0.957 111 R HN -0.049 nan 8.270 nan 0.000 0.484 112 A N 1.224 124.064 122.820 0.033 0.000 2.386 112 A HA 0.342 4.662 4.320 -0.000 0.000 0.246 112 A C -0.243 177.337 177.584 -0.007 0.000 1.089 112 A CA 0.100 52.136 52.037 -0.002 0.000 0.790 112 A CB 0.721 19.678 19.000 -0.073 0.000 1.042 112 A HN 0.359 nan 8.150 nan 0.000 0.497 113 S N -0.610 115.074 115.700 -0.028 0.000 2.572 113 S HA 0.461 4.931 4.470 -0.000 0.000 0.274 113 S C -1.119 173.523 174.600 0.069 0.000 1.150 113 S CA -0.558 57.618 58.200 -0.040 0.000 0.944 113 S CB 0.213 63.375 63.200 -0.064 0.000 1.071 113 S HN 0.591 nan 8.310 nan 0.000 0.479 114 W N 4.587 125.865 121.300 -0.036 0.000 2.364 114 W HA 0.325 4.985 4.660 -0.000 0.000 0.343 114 W C 0.243 176.831 176.519 0.115 0.000 1.237 114 W CA 0.748 58.094 57.345 0.003 0.000 1.319 114 W CB 0.295 29.718 29.460 -0.061 0.000 1.179 114 W HN 0.590 nan 8.180 nan 0.000 0.578 115 F N 0.731 120.766 119.950 0.141 0.000 2.745 115 F HA 0.876 5.403 4.527 -0.000 0.000 0.316 115 F C -1.082 174.753 175.800 0.058 0.000 1.155 115 F CA -1.994 56.057 58.000 0.085 0.000 0.937 115 F CB 0.558 39.567 39.000 0.015 0.000 1.361 115 F HN 0.408 nan 8.300 nan 0.000 0.472 116 A N 0.145 122.893 122.820 -0.120 0.000 2.469 116 A HA 0.560 4.880 4.320 -0.000 0.000 0.299 116 A C -0.139 177.351 177.584 -0.157 0.000 1.098 116 A CA -0.708 51.136 52.037 -0.322 0.000 0.737 116 A CB 0.702 19.675 19.000 -0.046 0.000 1.312 116 A HN 0.984 nan 8.150 nan 0.000 0.414 117 H N 0.574 119.617 119.070 -0.045 0.000 2.495 117 H HA -0.002 4.554 4.556 -0.000 0.000 0.287 117 H C 0.846 176.257 175.328 0.139 0.000 1.033 117 H CA 1.448 57.568 56.048 0.120 0.000 1.307 117 H CB 0.286 30.090 29.762 0.071 0.000 1.401 117 H HN 0.647 nan 8.280 nan 0.000 0.555 118 K N 0.362 120.873 120.400 0.186 0.000 2.486 118 K HA 0.017 4.337 4.320 -0.000 0.000 0.194 118 K C 1.609 178.278 176.600 0.115 0.000 1.033 118 K CA 0.511 56.880 56.287 0.136 0.000 1.004 118 K CB 0.391 32.950 32.500 0.099 0.000 0.798 118 K HN 0.144 nan 8.250 nan 0.000 0.495 119 G N 0.967 109.857 108.800 0.151 0.000 3.502 119 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.267 119 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.267 119 G C -0.446 174.552 174.900 0.163 0.000 1.090 119 G CA -0.191 45.009 45.100 0.168 0.000 0.795 119 G HN 0.132 nan 8.290 nan 0.000 0.535 120 E N 0.279 120.560 120.200 0.134 0.000 2.248 120 E HA 0.532 4.882 4.350 -0.000 0.000 0.267 120 E C -1.552 175.018 176.600 -0.051 0.000 0.877 120 E CA -0.555 55.866 56.400 0.035 0.000 0.759 120 E CB 2.679 32.506 29.700 0.212 0.000 1.182 120 E HN -0.115 nan 8.360 nan 0.000 0.418 121 V N 2.907 122.670 119.914 -0.252 0.000 2.376 121 V HA 0.584 4.704 4.120 -0.000 0.000 0.287 121 V C -0.499 175.371 176.094 -0.373 0.000 1.015 121 V CA -0.561 61.610 62.300 -0.215 0.000 0.834 121 V CB 1.195 32.940 31.823 -0.129 0.000 1.001 121 V HN 0.734 nan 8.190 nan 0.000 0.428 122 A N 4.046 126.762 122.820 -0.173 0.000 2.287 122 A HA 0.880 5.200 4.320 -0.000 0.000 0.317 122 A C 0.174 177.655 177.584 -0.172 0.000 1.220 122 A CA -0.235 51.753 52.037 -0.081 0.000 0.835 122 A CB 1.069 20.130 19.000 0.101 0.000 1.180 122 A HN 0.896 nan 8.150 nan 0.000 0.500 123 T N -0.274 114.111 114.554 -0.282 0.000 2.887 123 T HA 0.680 5.030 4.350 -0.000 0.000 0.292 123 T C -2.521 171.852 174.700 -0.544 0.000 1.087 123 T CA -1.774 60.029 62.100 -0.495 0.000 1.009 123 T CB 1.708 70.080 68.868 -0.826 0.000 1.203 123 T HN 0.113 nan 8.240 nan 0.000 0.518 124 P HA 0.016 nan 4.420 nan 0.000 0.220 124 P C 0.791 177.987 177.300 -0.173 0.000 1.148 124 P CA 0.954 63.700 63.100 -0.589 0.000 0.803 124 P CB -0.284 30.670 31.700 -1.244 0.000 0.782 125 Y N -4.327 115.961 120.300 -0.019 0.000 2.444 125 Y HA 0.448 4.998 4.550 -0.000 0.000 0.249 125 Y C 0.229 176.226 175.900 0.161 0.000 1.134 125 Y CA -0.992 57.197 58.100 0.149 0.000 1.261 125 Y CB -0.134 38.441 38.460 0.193 0.000 1.143 125 Y HN -0.166 nan 8.280 nan 0.000 0.523 126 Y N 0.503 120.570 120.300 -0.388 0.000 2.436 126 Y HA 0.475 5.025 4.550 -0.000 0.000 0.327 126 Y C -2.429 173.352 175.900 -0.199 0.000 1.138 126 Y CA -2.420 55.545 58.100 -0.225 0.000 1.042 126 Y CB 1.092 39.445 38.460 -0.178 0.000 1.302 126 Y HN 0.061 nan 8.280 nan 0.000 0.439 127 Y N 6.256 126.077 120.300 -0.798 0.000 2.406 127 Y HA 0.624 5.174 4.550 -0.000 0.000 0.340 127 Y C -1.444 173.964 175.900 -0.821 0.000 0.975 127 Y CA -0.818 56.882 58.100 -0.666 0.000 1.056 127 Y CB 1.455 39.708 38.460 -0.344 0.000 1.210 127 Y HN 0.708 nan 8.280 nan 0.000 0.448 128 K N 5.316 125.072 120.400 -1.074 0.000 2.422 128 K HA 0.820 5.140 4.320 -0.000 0.000 0.251 128 K C -2.347 173.894 176.600 -0.600 0.000 0.933 128 K CA -0.869 55.013 56.287 -0.675 0.000 0.798 128 K CB 2.274 34.508 32.500 -0.444 0.000 1.238 128 K HN 0.565 nan 8.250 nan 0.000 0.428 129 V N 3.904 123.701 119.914 -0.195 0.000 3.048 129 V HA 0.381 4.501 4.120 -0.000 0.000 0.303 129 V C -2.083 174.124 176.094 0.188 0.000 1.214 129 V CA -0.750 61.551 62.300 0.002 0.000 0.984 129 V CB 1.888 33.769 31.823 0.097 0.000 1.054 129 V HN 0.803 nan 8.190 nan 0.000 0.430 130 Y N 5.861 126.223 120.300 0.104 0.000 2.341 130 Y HA 0.631 5.181 4.550 -0.000 0.000 0.340 130 Y C -0.361 175.655 175.900 0.193 0.000 0.997 130 Y CA -0.768 57.410 58.100 0.130 0.000 1.149 130 Y CB 1.299 39.821 38.460 0.103 0.000 1.171 130 Y HN 0.578 nan 8.280 nan 0.000 0.494 131 L N 7.865 128.940 121.223 -0.247 0.000 2.334 131 L HA 0.316 4.656 4.340 -0.000 0.000 0.286 131 L C 1.284 177.869 176.870 -0.474 0.000 1.108 131 L CA -0.121 54.618 54.840 -0.168 0.000 0.875 131 L CB 0.587 42.680 42.059 0.057 0.000 1.246 131 L HN 0.947 nan 8.230 nan 0.000 0.439 132 A N 2.528 125.147 122.820 -0.335 0.000 1.972 132 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 132 A C 1.957 179.436 177.584 -0.176 0.000 1.169 132 A CA 1.372 53.231 52.037 -0.297 0.000 0.635 132 A CB -0.149 18.867 19.000 0.026 0.000 0.810 132 A HN 0.780 nan 8.150 nan 0.000 0.446 133 E N -1.402 118.695 120.200 -0.171 0.000 2.435 133 E HA -0.057 4.293 4.350 -0.000 0.000 0.195 133 E C 0.767 177.206 176.600 -0.267 0.000 1.029 133 E CA 0.423 56.694 56.400 -0.215 0.000 0.865 133 E CB 0.011 29.568 29.700 -0.238 0.000 0.833 133 E HN 0.710 nan 8.360 nan 0.000 0.510 134 H N -0.346 118.709 119.070 -0.025 0.000 2.755 134 H HA 0.039 4.595 4.556 -0.000 0.000 0.273 134 H C -0.023 175.316 175.328 0.018 0.000 1.055 134 H CA 0.134 56.193 56.048 0.018 0.000 1.191 134 H CB 0.486 30.267 29.762 0.033 0.000 1.536 134 H HN 0.055 nan 8.280 nan 0.000 0.529 135 D N 1.141 121.553 120.400 0.019 0.000 2.697 135 D HA -0.190 4.450 4.640 -0.000 0.000 0.235 135 D C -0.615 175.765 176.300 0.133 0.000 1.167 135 D CA 0.388 54.433 54.000 0.076 0.000 0.656 135 D CB -1.536 39.382 40.800 0.196 0.000 1.025 135 D HN 0.425 nan 8.370 nan 0.000 0.419 136 I N 0.008 120.575 120.570 -0.005 0.000 2.545 136 I HA 0.354 4.524 4.170 -0.000 0.000 0.292 136 I C 0.133 176.309 176.117 0.098 0.000 1.040 136 I CA -1.254 60.064 61.300 0.030 0.000 1.068 136 I CB 2.216 40.170 38.000 -0.077 0.000 1.251 136 I HN -0.228 nan 8.210 nan 0.000 0.424 137 V N 4.428 124.436 119.914 0.156 0.000 2.394 137 V HA 0.381 4.501 4.120 -0.000 0.000 0.282 137 V C 0.077 176.226 176.094 0.091 0.000 1.031 137 V CA -0.310 62.099 62.300 0.182 0.000 0.881 137 V CB 1.660 33.591 31.823 0.180 0.000 0.982 137 V HN 0.723 nan 8.190 nan 0.000 0.451 138 T N 5.361 119.959 114.554 0.073 0.000 2.794 138 T HA 0.559 4.909 4.350 -0.000 0.000 0.280 138 T C -0.445 174.142 174.700 -0.188 0.000 0.987 138 T CA -0.515 61.550 62.100 -0.059 0.000 0.993 138 T CB 1.071 69.772 68.868 -0.277 0.000 0.939 138 T HN 0.769 nan 8.240 nan 0.000 0.449 139 E N 2.715 122.746 120.200 -0.282 0.000 2.312 139 E HA 0.727 5.077 4.350 -0.000 0.000 0.267 139 E C -0.588 175.696 176.600 -0.528 0.000 0.894 139 E CA -0.987 55.202 56.400 -0.352 0.000 0.773 139 E CB 2.320 31.935 29.700 -0.142 0.000 1.241 139 E HN 0.630 nan 8.360 nan 0.000 0.432 140 M N -0.766 118.485 119.600 -0.582 0.000 2.421 140 M HA 0.578 5.058 4.480 -0.000 0.000 0.287 140 M C -1.375 174.668 176.300 -0.428 0.000 1.183 140 M CA -0.839 53.976 55.300 -0.808 0.000 0.916 140 M CB 2.245 33.972 32.600 -1.455 0.000 1.701 140 M HN 0.409 nan 8.290 nan 0.000 0.470 141 T N 0.321 114.670 114.554 -0.341 0.000 2.890 141 T HA 0.730 5.080 4.350 -0.000 0.000 0.295 141 T C -3.104 171.512 174.700 -0.141 0.000 0.993 141 T CA -1.366 60.672 62.100 -0.102 0.000 0.979 141 T CB 1.693 70.579 68.868 0.030 0.000 0.967 141 T HN 0.597 nan 8.240 nan 0.000 0.441 142 P HA 0.456 nan 4.420 nan 0.000 0.285 142 P C -0.072 177.285 177.300 0.094 0.000 1.269 142 P CA -0.295 62.815 63.100 0.018 0.000 0.844 142 P CB 1.622 33.416 31.700 0.158 0.000 1.094 143 T N -2.800 111.820 114.554 0.110 0.000 2.819 143 T HA 0.308 4.658 4.350 -0.000 0.000 0.271 143 T C 1.231 176.024 174.700 0.154 0.000 0.986 143 T CA -0.471 61.697 62.100 0.114 0.000 0.989 143 T CB 0.404 69.324 68.868 0.088 0.000 1.396 143 T HN 0.318 nan 8.240 nan 0.000 0.597 144 E N 0.174 120.450 120.200 0.126 0.000 2.118 144 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 144 E C 1.942 178.643 176.600 0.169 0.000 0.992 144 E CA 1.074 57.557 56.400 0.138 0.000 0.804 144 E CB -0.005 29.744 29.700 0.082 0.000 0.741 144 E HN 0.455 nan 8.360 nan 0.000 0.458 145 R N -1.387 119.207 120.500 0.156 0.000 2.521 145 R HA 0.338 4.678 4.340 -0.000 0.000 0.289 145 R C -0.056 176.383 176.300 0.232 0.000 0.936 145 R CA -0.010 56.193 56.100 0.172 0.000 1.089 145 R CB 1.568 31.928 30.300 0.101 0.000 1.348 145 R HN -0.057 nan 8.270 nan 0.000 0.536 146 A N 0.455 123.408 122.820 0.221 0.000 2.486 146 A HA 0.816 5.136 4.320 -0.000 0.000 0.289 146 A C -1.395 176.272 177.584 0.139 0.000 1.176 146 A CA -0.635 51.530 52.037 0.212 0.000 0.757 146 A CB 2.177 21.257 19.000 0.134 0.000 1.337 146 A HN -0.060 nan 8.150 nan 0.000 0.423 147 V N -0.317 119.603 119.914 0.010 0.000 3.147 147 V HA 0.647 4.767 4.120 -0.000 0.000 0.299 147 V C -2.110 173.857 176.094 -0.211 0.000 1.302 147 V CA -0.522 61.635 62.300 -0.239 0.000 1.015 147 V CB 1.996 33.336 31.823 -0.806 0.000 1.086 147 V HN 1.248 nan 8.190 nan 0.000 0.437 148 L N 5.173 126.234 121.223 -0.271 0.000 2.322 148 L HA 0.757 5.097 4.340 -0.000 0.000 0.281 148 L C -1.414 175.226 176.870 -0.383 0.000 1.014 148 L CA 0.141 54.858 54.840 -0.206 0.000 0.815 148 L CB 1.470 43.450 42.059 -0.132 0.000 1.247 148 L HN 0.580 nan 8.230 nan 0.000 0.421 149 F N 4.050 123.747 119.950 -0.421 0.000 2.480 149 F HA 0.634 5.160 4.527 -0.000 0.000 0.329 149 F C 0.134 175.545 175.800 -0.649 0.000 1.091 149 F CA -0.405 57.214 58.000 -0.635 0.000 0.972 149 F CB 1.635 40.129 39.000 -0.844 0.000 1.150 149 F HN 0.409 nan 8.300 nan 0.000 0.467 150 R N 3.599 123.805 120.500 -0.490 0.000 2.480 150 R HA 0.567 4.907 4.340 -0.000 0.000 0.306 150 R C -1.997 174.029 176.300 -0.456 0.000 0.958 150 R CA -0.475 55.411 56.100 -0.355 0.000 0.861 150 R CB 0.806 31.017 30.300 -0.147 0.000 1.171 150 R HN 0.538 nan 8.270 nan 0.000 0.445 151 F N 2.166 122.154 119.950 0.063 0.000 2.427 151 F HA 0.343 4.870 4.527 -0.000 0.000 0.346 151 F C 0.195 175.947 175.800 -0.080 0.000 1.120 151 F CA -0.863 57.085 58.000 -0.086 0.000 1.033 151 F CB 2.389 41.272 39.000 -0.195 0.000 1.126 151 F HN 0.290 nan 8.300 nan 0.000 0.462 152 T N 4.360 118.946 114.554 0.052 0.000 2.753 152 T HA 0.411 4.761 4.350 -0.000 0.000 0.297 152 T C -0.524 174.205 174.700 0.048 0.000 0.981 152 T CA -0.319 61.837 62.100 0.095 0.000 0.956 152 T CB -0.063 68.864 68.868 0.097 0.000 0.936 152 T HN 0.180 nan 8.240 nan 0.000 0.463 153 F N 5.044 125.098 119.950 0.172 0.000 2.403 153 F HA 0.485 5.012 4.527 -0.000 0.000 0.326 153 F C -1.598 174.277 175.800 0.124 0.000 1.081 153 F CA -2.133 55.959 58.000 0.153 0.000 1.041 153 F CB 1.218 40.301 39.000 0.140 0.000 1.234 153 F HN 0.331 nan 8.300 nan 0.000 0.503 154 P HA 0.101 nan 4.420 nan 0.000 0.293 154 P C -1.200 176.205 177.300 0.175 0.000 1.304 154 P CA -0.553 62.680 63.100 0.221 0.000 0.767 154 P CB 0.554 32.375 31.700 0.202 0.000 1.247 155 E N 0.455 120.724 120.200 0.116 0.000 2.324 155 E HA 0.186 4.536 4.350 -0.000 0.000 0.271 155 E C -0.397 176.239 176.600 0.060 0.000 1.028 155 E CA -0.035 56.407 56.400 0.069 0.000 0.890 155 E CB -0.043 29.687 29.700 0.051 0.000 1.004 155 E HN 0.287 nan 8.360 nan 0.000 0.431 156 N N 3.378 122.088 118.700 0.017 0.000 2.928 156 N HA 0.007 4.747 4.740 -0.000 0.000 0.247 156 N C -0.982 174.459 175.510 -0.116 0.000 1.141 156 N CA -0.426 52.619 53.050 -0.009 0.000 0.977 156 N CB 1.422 39.932 38.487 0.039 0.000 1.663 156 N HN 0.407 nan 8.380 nan 0.000 0.509 157 D N -0.012 120.267 120.400 -0.202 0.000 2.317 157 D HA 0.011 4.651 4.640 -0.000 0.000 0.211 157 D C -0.285 175.562 176.300 -0.755 0.000 0.966 157 D CA 1.273 54.986 54.000 -0.479 0.000 0.876 157 D CB 0.159 40.599 40.800 -0.600 0.000 0.927 157 D HN 0.381 nan 8.370 nan 0.000 0.519 158 H N -0.119 118.845 119.070 -0.177 0.000 2.569 158 H HA 0.361 4.917 4.556 -0.000 0.000 0.247 158 H C -0.507 174.489 175.328 -0.552 0.000 1.346 158 H CA -0.260 55.554 56.048 -0.390 0.000 1.502 158 H CB 0.417 30.104 29.762 -0.124 0.000 1.512 158 H HN -0.205 nan 8.280 nan 0.000 0.502 159 S N 2.021 117.335 115.700 -0.643 0.000 2.525 159 S HA 0.606 5.076 4.470 -0.000 0.000 0.290 159 S C -0.641 173.340 174.600 -1.032 0.000 1.152 159 S CA -0.495 57.349 58.200 -0.593 0.000 1.072 159 S CB 1.103 63.921 63.200 -0.635 0.000 1.027 159 S HN 0.349 nan 8.310 nan 0.000 0.500 160 Y N -0.172 119.939 120.300 -0.314 0.000 2.581 160 Y HA 0.612 5.162 4.550 -0.000 0.000 0.345 160 Y C -0.484 175.281 175.900 -0.226 0.000 1.036 160 Y CA -1.142 56.711 58.100 -0.412 0.000 1.042 160 Y CB 1.328 39.583 38.460 -0.342 0.000 1.289 160 Y HN 0.308 nan 8.280 nan 0.000 0.471 161 V N 2.682 122.526 119.914 -0.116 0.000 2.487 161 V HA 0.479 4.599 4.120 -0.000 0.000 0.298 161 V C -0.709 175.374 176.094 -0.019 0.000 1.028 161 V CA -0.919 61.344 62.300 -0.062 0.000 0.860 161 V CB 1.609 33.434 31.823 0.003 0.000 0.991 161 V HN 0.549 nan 8.190 nan 0.000 0.427 162 V N 5.545 125.469 119.914 0.016 0.000 2.439 162 V HA 0.483 4.603 4.120 -0.000 0.000 0.282 162 V C -0.057 176.131 176.094 0.158 0.000 1.039 162 V CA -0.491 61.861 62.300 0.087 0.000 0.913 162 V CB 1.754 33.615 31.823 0.063 0.000 0.983 162 V HN 0.600 nan 8.190 nan 0.000 0.460 163 V N 3.534 123.584 119.914 0.228 0.000 2.495 163 V HA 0.488 4.608 4.120 -0.000 0.000 0.298 163 V C -0.617 175.714 176.094 0.395 0.000 1.031 163 V CA -0.442 62.028 62.300 0.284 0.000 0.871 163 V CB 1.912 33.907 31.823 0.285 0.000 0.988 163 V HN 0.914 nan 8.190 nan 0.000 0.432 164 D N 3.513 124.160 120.400 0.411 0.000 2.469 164 D HA 0.510 5.150 4.640 -0.000 0.000 0.251 164 D C 0.485 177.134 176.300 0.582 0.000 1.173 164 D CA -0.344 53.996 54.000 0.567 0.000 0.882 164 D CB 2.113 43.160 40.800 0.411 0.000 1.129 164 D HN 0.568 nan 8.370 nan 0.000 0.549 165 A N 3.759 126.920 122.820 0.569 0.000 2.238 165 A HA 0.273 4.593 4.320 -0.000 0.000 0.208 165 A C 0.428 178.387 177.584 0.626 0.000 1.177 165 A CA 0.074 52.417 52.037 0.511 0.000 0.804 165 A CB -0.544 18.737 19.000 0.469 0.000 0.823 165 A HN 0.549 nan 8.150 nan 0.000 0.482 166 F N -0.810 119.365 119.950 0.375 0.000 2.183 166 F HA -0.171 4.356 4.527 -0.000 0.000 0.318 166 F C 0.432 176.211 175.800 -0.035 0.000 0.132 166 F CA 0.467 58.527 58.000 0.100 0.000 0.912 166 F CB -1.008 38.042 39.000 0.083 0.000 4.135 166 F HN 0.572 nan 8.300 nan 0.000 0.137 167 D N 0.051 120.371 120.400 -0.134 0.000 2.595 167 D HA 0.463 5.102 4.640 -0.000 0.000 0.268 167 D C 0.036 176.391 176.300 0.092 0.000 1.181 167 D CA 0.014 53.957 54.000 -0.096 0.000 1.085 167 D CB 0.692 41.331 40.800 -0.268 0.000 1.186 167 D HN 0.457 nan 8.370 nan 0.000 0.621 168 K N -1.485 118.967 120.400 0.086 0.000 3.339 168 K HA -0.012 4.308 4.320 -0.000 0.000 0.299 168 K C 0.290 176.983 176.600 0.155 0.000 1.270 168 K CA 1.023 57.378 56.287 0.114 0.000 0.875 168 K CB -2.236 30.336 32.500 0.120 0.000 1.298 168 K HN 1.421 nan 8.250 nan 0.000 0.485 169 G N 0.075 108.976 108.800 0.170 0.000 3.035 169 G HA2 0.061 4.021 3.960 -0.000 0.000 0.674 169 G HA3 0.061 4.021 3.960 -0.000 0.000 0.674 169 G C -0.218 174.832 174.900 0.251 0.000 1.159 169 G CA 0.187 45.405 45.100 0.198 0.000 1.098 169 G HN 0.961 nan 8.290 nan 0.000 0.473 170 S N 1.039 116.856 115.700 0.196 0.000 2.794 170 S HA 0.908 5.378 4.470 -0.000 0.000 0.299 170 S C -0.965 173.576 174.600 -0.098 0.000 1.179 170 S CA -0.909 57.360 58.200 0.115 0.000 0.838 170 S CB 2.747 66.076 63.200 0.215 0.000 1.206 170 S HN 2.023 nan 8.310 nan 0.000 0.523 171 Y N -0.271 119.704 120.300 -0.541 0.000 2.513 171 Y HA 0.814 5.364 4.550 -0.000 0.000 0.340 171 Y C -1.940 173.738 175.900 -0.370 0.000 1.055 171 Y CA -1.123 56.612 58.100 -0.609 0.000 1.020 171 Y CB 1.471 39.164 38.460 -1.279 0.000 1.301 171 Y HN 0.960 nan 8.280 nan 0.000 0.453 172 I N 5.232 125.186 120.570 -1.028 0.000 2.752 172 I HA 0.534 4.704 4.170 -0.000 0.000 0.295 172 I C -1.906 173.692 176.117 -0.866 0.000 1.219 172 I CA -0.491 60.354 61.300 -0.759 0.000 1.030 172 I CB 2.035 39.857 38.000 -0.296 0.000 1.259 172 I HN 0.668 nan 8.210 nan 0.000 0.423 173 K N 7.623 127.657 120.400 -0.610 0.000 2.535 173 K HA 0.615 4.935 4.320 -0.000 0.000 0.250 173 K C -1.813 174.684 176.600 -0.173 0.000 0.948 173 K CA -0.506 55.565 56.287 -0.361 0.000 0.796 173 K CB 1.342 33.666 32.500 -0.292 0.000 1.216 173 K HN 0.590 nan 8.250 nan 0.000 0.432 174 I N 5.793 126.294 120.570 -0.115 0.000 2.365 174 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 174 I C -0.047 176.091 176.117 0.035 0.000 1.004 174 I CA -0.705 60.576 61.300 -0.031 0.000 1.311 174 I CB 1.136 39.084 38.000 -0.086 0.000 1.401 174 I HN 0.494 nan 8.210 nan 0.000 0.491 175 I N 8.466 129.113 120.570 0.128 0.000 2.503 175 I HA 0.220 4.390 4.170 -0.000 0.000 0.277 175 I C -1.550 174.680 176.117 0.189 0.000 1.078 175 I CA -1.549 59.819 61.300 0.114 0.000 1.184 175 I CB 0.989 39.031 38.000 0.070 0.000 1.353 175 I HN 0.375 nan 8.210 nan 0.000 0.490 176 P HA -0.210 nan 4.420 nan 0.000 0.219 176 P C 1.098 178.408 177.300 0.016 0.000 1.146 176 P CA 1.420 64.638 63.100 0.196 0.000 0.808 176 P CB 0.135 31.933 31.700 0.164 0.000 0.779 177 E N 0.741 120.955 120.200 0.022 0.000 2.482 177 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 177 E C 0.750 177.340 176.600 -0.018 0.000 1.047 177 E CA 0.830 57.225 56.400 -0.009 0.000 0.869 177 E CB -0.442 29.258 29.700 0.000 0.000 0.836 177 E HN 0.380 nan 8.360 nan 0.000 0.520 178 E N 0.672 120.871 120.200 -0.001 0.000 2.660 178 E HA 0.129 4.479 4.350 -0.000 0.000 0.216 178 E C -0.560 176.039 176.600 -0.002 0.000 0.986 178 E CA -0.399 56.005 56.400 0.006 0.000 1.037 178 E CB 0.218 29.939 29.700 0.037 0.000 1.041 178 E HN 0.040 nan 8.360 nan 0.000 0.480 179 N N 2.335 120.955 118.700 -0.132 0.000 2.714 179 N HA -0.219 4.521 4.740 -0.000 0.000 0.252 179 N C -0.706 174.964 175.510 0.267 0.000 1.014 179 N CA 1.217 54.048 53.050 -0.365 0.000 0.735 179 N CB -0.854 37.463 38.487 -0.284 0.000 0.924 179 N HN 0.294 nan 8.380 nan 0.000 0.540 180 K N 0.332 120.997 120.400 0.442 0.000 2.422 180 K HA 0.632 4.952 4.320 -0.000 0.000 0.251 180 K C -0.937 175.919 176.600 0.427 0.000 0.933 180 K CA -0.623 55.916 56.287 0.420 0.000 0.798 180 K CB 1.463 34.085 32.500 0.203 0.000 1.238 180 K HN 0.085 nan 8.250 nan 0.000 0.428 181 I N 6.071 126.869 120.570 0.380 0.000 2.498 181 I HA 0.423 4.592 4.170 -0.000 0.000 0.290 181 I C -0.217 175.992 176.117 0.153 0.000 1.032 181 I CA -0.954 60.487 61.300 0.236 0.000 1.073 181 I CB 1.753 39.933 38.000 0.300 0.000 1.251 181 I HN 0.604 nan 8.210 nan 0.000 0.426 182 I N 2.372 122.932 120.570 -0.016 0.000 2.957 182 I HA 1.073 5.243 4.170 -0.000 0.000 0.310 182 I C -0.244 175.632 176.117 -0.402 0.000 1.063 182 I CA -0.497 60.719 61.300 -0.139 0.000 1.033 182 I CB 2.440 40.312 38.000 -0.213 0.000 1.230 182 I HN 0.615 nan 8.210 nan 0.000 0.447 183 G N 1.829 110.208 108.800 -0.702 0.000 2.451 183 G HA2 0.520 4.479 3.960 -0.000 0.000 0.292 183 G HA3 0.520 4.479 3.960 -0.000 0.000 0.292 183 G C -2.163 172.165 174.900 -0.952 0.000 1.427 183 G CA -0.595 43.899 45.100 -1.010 0.000 0.792 183 G HN 1.047 nan 8.290 nan 0.000 0.498 184 Y N -1.601 118.485 120.300 -0.358 0.000 2.553 184 Y HA 0.878 5.427 4.550 -0.000 0.000 0.347 184 Y C -0.283 175.665 175.900 0.080 0.000 1.019 184 Y CA -1.332 56.591 58.100 -0.294 0.000 1.032 184 Y CB 1.873 40.022 38.460 -0.519 0.000 1.284 184 Y HN 0.741 nan 8.280 nan 0.000 0.466 185 T N 0.196 114.979 114.554 0.382 0.000 2.887 185 T HA 0.515 4.865 4.350 -0.000 0.000 0.288 185 T C 0.288 175.168 174.700 0.300 0.000 1.021 185 T CA 0.141 62.467 62.100 0.376 0.000 1.000 185 T CB 1.263 70.343 68.868 0.353 0.000 1.034 185 T HN 1.135 nan 8.240 nan 0.000 0.467 186 T N 0.860 115.632 114.554 0.363 0.000 2.986 186 T HA 0.297 4.647 4.350 -0.000 0.000 0.264 186 T C 0.782 175.752 174.700 0.451 0.000 0.964 186 T CA -0.405 61.953 62.100 0.430 0.000 0.895 186 T CB -0.127 68.942 68.868 0.335 0.000 1.163 186 T HN 0.636 nan 8.240 nan 0.000 0.517 187 R N 3.307 124.024 120.500 0.362 0.000 2.486 187 R HA 0.099 4.439 4.340 -0.000 0.000 0.303 187 R C -0.188 176.282 176.300 0.282 0.000 0.958 187 R CA 0.672 56.947 56.100 0.292 0.000 1.077 187 R CB 0.034 30.519 30.300 0.308 0.000 0.921 187 R HN 0.738 nan 8.270 nan 0.000 0.406 188 N N 1.356 120.159 118.700 0.172 0.000 2.902 188 N HA 0.134 4.874 4.740 -0.000 0.000 0.268 188 N C -1.067 174.463 175.510 0.034 0.000 1.450 188 N CA -0.928 52.172 53.050 0.083 0.000 0.819 188 N CB 1.745 40.139 38.487 -0.154 0.000 1.540 188 N HN 0.341 nan 8.380 nan 0.000 0.545 189 S N -1.173 114.523 115.700 -0.006 0.000 2.663 189 S HA 0.499 4.969 4.470 -0.000 0.000 0.243 189 S C 0.530 175.089 174.600 -0.068 0.000 1.009 189 S CA 0.115 58.306 58.200 -0.015 0.000 0.988 189 S CB -0.167 63.039 63.200 0.010 0.000 0.896 189 S HN 1.115 nan 8.310 nan 0.000 0.502 190 G N 0.356 109.085 108.800 -0.118 0.000 2.479 190 G HA2 0.371 4.331 3.960 -0.000 0.000 0.686 190 G HA3 0.371 4.331 3.960 -0.000 0.000 0.686 190 G C 0.348 175.120 174.900 -0.214 0.000 1.295 190 G CA -0.411 44.610 45.100 -0.131 0.000 0.922 190 G HN 1.110 nan 8.290 nan 0.000 0.582 191 G N -2.212 106.479 108.800 -0.182 0.000 2.283 191 G HA2 0.243 4.203 3.960 -0.000 0.000 0.280 191 G HA3 0.243 4.203 3.960 -0.000 0.000 0.280 191 G C 0.901 175.591 174.900 -0.350 0.000 1.029 191 G CA 1.616 46.574 45.100 -0.238 0.000 0.840 191 G HN 2.407 nan 8.290 nan 0.000 0.505 192 V N -3.407 116.331 119.914 -0.292 0.000 2.815 192 V HA 0.947 5.067 4.120 -0.000 0.000 0.314 192 V C -1.711 174.348 176.094 -0.059 0.000 1.064 192 V CA -2.659 59.484 62.300 -0.263 0.000 0.952 192 V CB 1.845 33.398 31.823 -0.450 0.000 1.020 192 V HN 0.074 nan 8.190 nan 0.000 0.439 193 P HA 0.336 nan 4.420 nan 0.000 0.274 193 P C 0.626 178.034 177.300 0.179 0.000 1.246 193 P CA -0.326 62.846 63.100 0.120 0.000 0.795 193 P CB 0.545 32.333 31.700 0.148 0.000 1.006 194 E N 0.815 121.097 120.200 0.136 0.000 2.209 194 E HA -0.192 4.157 4.350 -0.000 0.000 0.196 194 E C 0.862 177.544 176.600 0.138 0.000 0.993 194 E CA 1.133 57.607 56.400 0.123 0.000 0.819 194 E CB -0.333 29.420 29.700 0.087 0.000 0.745 194 E HN 0.503 nan 8.360 nan 0.000 0.477 195 N N 0.653 119.453 118.700 0.168 0.000 2.313 195 N HA -0.087 4.653 4.740 -0.000 0.000 0.207 195 N C -0.066 175.507 175.510 0.105 0.000 1.141 195 N CA -0.240 52.883 53.050 0.121 0.000 0.830 195 N CB -0.615 37.953 38.487 0.135 0.000 1.008 195 N HN -0.014 nan 8.380 nan 0.000 0.481 196 F N 2.354 122.342 119.950 0.063 0.000 2.608 196 F HA 0.170 4.697 4.527 -0.000 0.000 0.380 196 F C 0.038 175.746 175.800 -0.152 0.000 1.083 196 F CA 0.245 58.247 58.000 0.003 0.000 1.266 196 F CB 0.383 39.430 39.000 0.078 0.000 1.076 196 F HN -0.034 nan 8.300 nan 0.000 0.574 197 K N 5.193 124.876 120.400 -1.195 0.000 2.542 197 K HA 0.168 4.488 4.320 -0.000 0.000 0.259 197 K C -1.448 174.441 176.600 -1.186 0.000 0.932 197 K CA -1.023 54.539 56.287 -1.209 0.000 0.820 197 K CB 1.874 33.525 32.500 -1.415 0.000 1.345 197 K HN 0.636 nan 8.250 nan 0.000 0.432 198 N N 2.849 121.065 118.700 -0.806 0.000 2.446 198 N HA 0.229 4.969 4.740 -0.000 0.000 0.265 198 N C -1.376 173.908 175.510 -0.377 0.000 0.975 198 N CA -0.335 52.406 53.050 -0.515 0.000 0.928 198 N CB 0.655 38.999 38.487 -0.237 0.000 1.160 198 N HN 0.409 nan 8.380 nan 0.000 0.495 199 Y N 3.872 123.936 120.300 -0.394 0.000 2.327 199 Y HA 0.344 4.894 4.550 -0.000 0.000 0.336 199 Y C 0.057 175.816 175.900 -0.236 0.000 1.035 199 Y CA -0.681 57.115 58.100 -0.506 0.000 1.165 199 Y CB 0.536 38.446 38.460 -0.917 0.000 1.181 199 Y HN 0.318 nan 8.280 nan 0.000 0.494 200 F N 1.314 121.242 119.950 -0.036 0.000 2.588 200 F HA 0.903 5.430 4.527 -0.000 0.000 0.314 200 F C -1.470 174.402 175.800 0.118 0.000 1.069 200 F CA -1.916 56.041 58.000 -0.071 0.000 0.931 200 F CB 1.328 39.955 39.000 -0.622 0.000 1.260 200 F HN 0.210 nan 8.300 nan 0.000 0.465 201 I N 3.534 124.311 120.570 0.345 0.000 2.569 201 I HA 0.460 4.630 4.170 -0.000 0.000 0.290 201 I C -1.183 175.095 176.117 0.268 0.000 1.088 201 I CA -0.683 60.777 61.300 0.266 0.000 1.047 201 I CB 2.348 40.476 38.000 0.213 0.000 1.237 201 I HN 0.588 nan 8.210 nan 0.000 0.421 202 I N 5.642 126.354 120.570 0.236 0.000 2.439 202 I HA 0.348 4.518 4.170 -0.000 0.000 0.285 202 I C -0.669 175.487 176.117 0.065 0.000 1.021 202 I CA -0.479 60.894 61.300 0.122 0.000 1.091 202 I CB 1.766 39.859 38.000 0.156 0.000 1.242 202 I HN 0.523 nan 8.210 nan 0.000 0.439 203 E N 6.106 126.281 120.200 -0.041 0.000 2.165 203 E HA 0.505 4.855 4.350 -0.000 0.000 0.266 203 E C -1.378 175.182 176.600 -0.067 0.000 0.889 203 E CA -0.629 55.798 56.400 0.045 0.000 0.756 203 E CB 2.048 31.787 29.700 0.066 0.000 1.131 203 E HN 0.275 nan 8.360 nan 0.000 0.411 204 F N 1.902 121.987 119.950 0.225 0.000 2.399 204 F HA 0.119 4.646 4.527 -0.000 0.000 0.334 204 F C 1.338 177.201 175.800 0.105 0.000 1.097 204 F CA -0.780 57.363 58.000 0.238 0.000 1.076 204 F CB 1.014 40.267 39.000 0.421 0.000 1.162 204 F HN 0.474 nan 8.300 nan 0.000 0.495 205 D N 0.455 121.005 120.400 0.251 0.000 2.328 205 D HA -0.014 4.626 4.640 -0.000 0.000 0.226 205 D C 0.010 176.350 176.300 0.067 0.000 1.066 205 D CA 0.134 54.204 54.000 0.117 0.000 0.861 205 D CB -0.034 40.810 40.800 0.074 0.000 0.912 205 D HN 0.420 nan 8.370 nan 0.000 0.521 206 K N 0.812 121.267 120.400 0.092 0.000 2.507 206 K HA 0.411 4.731 4.320 -0.000 0.000 0.252 206 K C -3.025 173.548 176.600 -0.045 0.000 0.943 206 K CA -2.116 54.141 56.287 -0.050 0.000 0.808 206 K CB 2.036 34.386 32.500 -0.250 0.000 1.142 206 K HN -0.267 nan 8.250 nan 0.000 0.426 207 P HA -0.010 nan 4.420 nan 0.000 0.265 207 P C -0.873 176.436 177.300 0.015 0.000 1.193 207 P CA 0.053 63.043 63.100 -0.183 0.000 0.765 207 P CB 0.141 31.781 31.700 -0.100 0.000 0.823 208 F N 0.708 120.735 119.950 0.127 0.000 2.484 208 F HA 0.172 4.699 4.527 -0.000 0.000 0.360 208 F C 1.905 177.749 175.800 0.073 0.000 1.101 208 F CA 0.121 58.179 58.000 0.096 0.000 1.251 208 F CB -0.444 38.545 39.000 -0.019 0.000 1.132 208 F HN 0.219 nan 8.300 nan 0.000 0.570 209 T N 1.271 115.988 114.554 0.271 0.000 2.990 209 T HA 0.058 4.408 4.350 -0.000 0.000 0.250 209 T C -0.989 173.810 174.700 0.164 0.000 1.041 209 T CA 0.359 62.560 62.100 0.167 0.000 1.010 209 T CB -0.228 68.723 68.868 0.138 0.000 1.003 209 T HN 0.461 nan 8.240 nan 0.000 0.499 210 Y N 2.486 122.789 120.300 0.005 0.000 2.477 210 Y HA 0.582 5.132 4.550 -0.000 0.000 0.347 210 Y C -1.391 174.465 175.900 -0.073 0.000 0.981 210 Y CA -1.405 56.687 58.100 -0.013 0.000 1.033 210 Y CB 1.142 39.615 38.460 0.023 0.000 1.245 210 Y HN -0.021 nan 8.280 nan 0.000 0.455 211 K N 4.183 124.135 120.400 -0.745 0.000 2.557 211 K HA 0.948 5.268 4.320 -0.000 0.000 0.257 211 K C -2.250 173.974 176.600 -0.626 0.000 0.933 211 K CA -0.944 55.029 56.287 -0.523 0.000 0.820 211 K CB 1.941 34.272 32.500 -0.282 0.000 1.330 211 K HN 0.946 nan 8.250 nan 0.000 0.432 212 A N 1.147 123.740 122.820 -0.378 0.000 2.594 212 A HA 0.650 4.970 4.320 -0.000 0.000 0.296 212 A C -0.882 176.580 177.584 -0.204 0.000 1.061 212 A CA -0.617 51.254 52.037 -0.276 0.000 0.689 212 A CB 1.543 20.409 19.000 -0.222 0.000 1.280 212 A HN 0.867 nan 8.150 nan 0.000 0.406 213 T N -1.157 113.276 114.554 -0.202 0.000 2.952 213 T HA 0.798 5.148 4.350 -0.000 0.000 0.286 213 T C -0.338 174.204 174.700 -0.262 0.000 1.024 213 T CA -0.713 61.254 62.100 -0.222 0.000 1.029 213 T CB 1.451 70.197 68.868 -0.202 0.000 1.094 213 T HN 1.128 nan 8.240 nan 0.000 0.515 214 V N 0.882 120.579 119.914 -0.363 0.000 2.735 214 V HA 0.669 4.789 4.120 -0.000 0.000 0.310 214 V C -0.406 175.460 176.094 -0.380 0.000 1.061 214 V CA -0.768 61.249 62.300 -0.471 0.000 0.913 214 V CB 1.618 32.863 31.823 -0.963 0.000 1.005 214 V HN 1.058 nan 8.190 nan 0.000 0.428 215 E N 3.063 123.099 120.200 -0.274 0.000 2.302 215 E HA 0.430 4.780 4.350 -0.000 0.000 0.263 215 E C 0.339 176.871 176.600 -0.114 0.000 0.897 215 E CA 0.517 56.819 56.400 -0.163 0.000 0.809 215 E CB 1.283 30.916 29.700 -0.111 0.000 1.270 215 E HN 1.141 nan 8.360 nan 0.000 0.410 216 N N 2.502 121.162 118.700 -0.068 0.000 2.721 216 N HA -0.271 4.469 4.740 -0.000 0.000 0.249 216 N C 1.030 176.523 175.510 -0.028 0.000 1.072 216 N CA 1.630 54.672 53.050 -0.013 0.000 0.710 216 N CB -2.244 36.242 38.487 -0.001 0.000 0.993 216 N HN 1.192 nan 8.380 nan 0.000 0.547 217 G N -2.011 106.743 108.800 -0.076 0.000 2.284 217 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.247 217 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.247 217 G C 0.004 174.864 174.900 -0.066 0.000 1.012 217 G CA 0.453 45.536 45.100 -0.028 0.000 0.618 217 G HN 1.301 nan 8.290 nan 0.000 0.521 218 N N 0.703 119.347 118.700 -0.093 0.000 2.488 218 N HA 0.481 5.221 4.740 -0.000 0.000 0.274 218 N C -0.175 175.255 175.510 -0.133 0.000 1.111 218 N CA -0.328 52.669 53.050 -0.089 0.000 0.974 218 N CB 1.627 40.073 38.487 -0.068 0.000 1.089 218 N HN 0.244 nan 8.380 nan 0.000 0.465 219 L N 2.236 123.395 121.223 -0.107 0.000 2.360 219 L HA 0.134 4.474 4.340 -0.000 0.000 0.276 219 L C 0.098 176.907 176.870 -0.101 0.000 1.121 219 L CA 0.407 55.179 54.840 -0.113 0.000 0.845 219 L CB 0.244 42.264 42.059 -0.067 0.000 1.143 219 L HN 0.389 nan 8.230 nan 0.000 0.452 220 Q N 4.776 124.500 119.800 -0.126 0.000 2.464 220 Q HA 0.275 4.615 4.340 -0.000 0.000 0.256 220 Q C -0.849 175.065 176.000 -0.143 0.000 1.020 220 Q CA -0.434 55.299 55.803 -0.117 0.000 0.716 220 Q CB 1.473 30.142 28.738 -0.114 0.000 1.230 220 Q HN 0.548 nan 8.270 nan 0.000 0.494 221 E N 2.500 122.614 120.200 -0.144 0.000 2.415 221 E HA -0.039 4.311 4.350 -0.000 0.000 0.263 221 E C 0.034 176.524 176.600 -0.184 0.000 0.995 221 E CA 0.138 56.407 56.400 -0.218 0.000 0.915 221 E CB 0.372 29.955 29.700 -0.195 0.000 0.951 221 E HN 0.513 nan 8.360 nan 0.000 0.449 222 N N 0.725 119.295 118.700 -0.217 0.000 2.741 222 N HA -0.175 4.565 4.740 -0.000 0.000 0.251 222 N C -0.919 174.523 175.510 -0.114 0.000 1.112 222 N CA 0.543 53.501 53.050 -0.152 0.000 0.750 222 N CB -1.201 37.213 38.487 -0.121 0.000 1.119 222 N HN 0.129 nan 8.380 nan 0.000 0.561 223 V N 0.869 120.709 119.914 -0.123 0.000 2.364 223 V HA 0.459 4.579 4.120 -0.000 0.000 0.272 223 V C 1.594 177.622 176.094 -0.111 0.000 1.036 223 V CA 0.286 62.526 62.300 -0.101 0.000 0.880 223 V CB 1.333 33.098 31.823 -0.096 0.000 0.991 223 V HN 0.357 nan 8.190 nan 0.000 0.460 224 A N 4.318 127.086 122.820 -0.088 0.000 2.015 224 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 224 A C 0.898 178.413 177.584 -0.116 0.000 1.163 224 A CA 0.973 52.956 52.037 -0.089 0.000 0.646 224 A CB 0.040 19.006 19.000 -0.056 0.000 0.806 224 A HN 0.776 nan 8.150 nan 0.000 0.448 225 E N -0.605 119.531 120.200 -0.106 0.000 2.343 225 E HA 0.406 4.756 4.350 -0.000 0.000 0.278 225 E C -1.614 174.925 176.600 -0.101 0.000 0.910 225 E CA -0.650 55.678 56.400 -0.120 0.000 0.757 225 E CB 1.032 30.714 29.700 -0.030 0.000 1.218 225 E HN 0.250 nan 8.360 nan 0.000 0.435 226 Q N 1.574 121.284 119.800 -0.150 0.000 2.359 226 Q HA 0.439 4.779 4.340 -0.000 0.000 0.274 226 Q C -1.337 174.669 176.000 0.010 0.000 1.074 226 Q CA -0.723 55.031 55.803 -0.082 0.000 0.810 226 Q CB 2.480 31.140 28.738 -0.130 0.000 1.342 226 Q HN 0.518 nan 8.270 nan 0.000 0.427 227 T N 1.249 115.849 114.554 0.076 0.000 2.864 227 T HA 0.617 4.967 4.350 -0.000 0.000 0.299 227 T C -0.439 174.304 174.700 0.072 0.000 1.011 227 T CA -0.401 61.773 62.100 0.122 0.000 0.975 227 T CB 1.477 70.441 68.868 0.161 0.000 0.962 227 T HN 0.548 nan 8.240 nan 0.000 0.448 228 T N 0.981 115.577 114.554 0.069 0.000 2.739 228 T HA 0.290 4.640 4.350 -0.000 0.000 0.303 228 T C 0.547 175.309 174.700 0.104 0.000 1.389 228 T CA -0.404 61.737 62.100 0.067 0.000 1.001 228 T CB 1.850 70.736 68.868 0.030 0.000 1.436 228 T HN 0.515 nan 8.240 nan 0.000 0.500 229 D N 0.308 120.772 120.400 0.108 0.000 2.106 229 D HA -0.134 4.506 4.640 -0.000 0.000 0.191 229 D C 0.674 177.094 176.300 0.201 0.000 0.997 229 D CA 1.764 55.845 54.000 0.135 0.000 0.834 229 D CB -0.016 40.852 40.800 0.114 0.000 0.956 229 D HN 0.548 nan 8.370 nan 0.000 0.448 230 H N -0.757 118.360 119.070 0.078 0.000 2.854 230 H HA 0.580 5.136 4.556 -0.000 0.000 0.275 230 H C -1.244 174.119 175.328 0.058 0.000 1.198 230 H CA -0.920 55.195 56.048 0.113 0.000 1.489 230 H CB 0.628 30.468 29.762 0.131 0.000 1.519 230 H HN 0.196 nan 8.280 nan 0.000 0.503 231 A N 3.183 126.123 122.820 0.200 0.000 2.293 231 A HA 0.765 5.085 4.320 -0.000 0.000 0.302 231 A C 0.224 177.774 177.584 -0.057 0.000 1.119 231 A CA 0.160 52.183 52.037 -0.024 0.000 0.823 231 A CB 1.135 20.111 19.000 -0.040 0.000 1.097 231 A HN 0.764 nan 8.150 nan 0.000 0.491 232 G N -1.539 107.094 108.800 -0.279 0.000 2.608 232 G HA2 0.778 4.738 3.960 -0.000 0.000 0.291 232 G HA3 0.778 4.738 3.960 -0.000 0.000 0.291 232 G C -1.079 173.676 174.900 -0.242 0.000 1.425 232 G CA 0.140 45.077 45.100 -0.271 0.000 0.787 232 G HN 1.842 nan 8.290 nan 0.000 0.484 233 A N -0.489 122.283 122.820 -0.081 0.000 2.572 233 A HA 0.850 5.170 4.320 -0.000 0.000 0.295 233 A C -1.342 176.227 177.584 -0.024 0.000 1.072 233 A CA -0.572 51.407 52.037 -0.096 0.000 0.691 233 A CB 1.363 20.319 19.000 -0.073 0.000 1.291 233 A HN 0.857 nan 8.150 nan 0.000 0.404 234 I N 2.339 122.872 120.570 -0.061 0.000 2.500 234 I HA 0.394 4.564 4.170 -0.000 0.000 0.286 234 I C -1.021 175.073 176.117 -0.037 0.000 1.063 234 I CA -0.575 60.716 61.300 -0.015 0.000 1.062 234 I CB 1.724 39.733 38.000 0.015 0.000 1.223 234 I HN 0.690 nan 8.210 nan 0.000 0.435 235 I N 3.021 123.461 120.570 -0.216 0.000 2.863 235 I HA 1.069 5.239 4.170 -0.000 0.000 0.311 235 I C 0.145 176.028 176.117 -0.391 0.000 1.026 235 I CA -0.513 60.551 61.300 -0.392 0.000 1.077 235 I CB 1.895 39.210 38.000 -1.141 0.000 1.262 235 I HN 0.532 nan 8.210 nan 0.000 0.461 236 G N 1.757 110.258 108.800 -0.499 0.000 2.660 236 G HA2 0.820 4.780 3.960 -0.000 0.000 0.290 236 G HA3 0.820 4.780 3.960 -0.000 0.000 0.290 236 G C -1.494 172.858 174.900 -0.914 0.000 1.432 236 G CA -0.763 43.783 45.100 -0.923 0.000 0.807 236 G HN 0.992 nan 8.290 nan 0.000 0.485 237 F N -2.837 116.905 119.950 -0.347 0.000 2.978 237 F HA 0.765 5.292 4.527 -0.000 0.000 0.324 237 F C -0.060 175.532 175.800 -0.346 0.000 1.157 237 F CA -1.268 56.585 58.000 -0.245 0.000 0.879 237 F CB 0.695 39.593 39.000 -0.171 0.000 1.364 237 F HN 0.808 nan 8.300 nan 0.000 0.465 238 K N 0.312 120.733 120.400 0.035 0.000 2.172 238 K HA 0.752 5.072 4.320 -0.000 0.000 0.276 238 K C -0.493 176.054 176.600 -0.089 0.000 1.013 238 K CA -0.092 56.142 56.287 -0.089 0.000 0.913 238 K CB 0.650 33.089 32.500 -0.102 0.000 1.055 238 K HN 0.937 nan 8.250 nan 0.000 0.461 239 T N -1.095 113.394 114.554 -0.108 0.000 2.908 239 T HA 0.702 5.052 4.350 -0.000 0.000 0.290 239 T C 0.200 174.882 174.700 -0.030 0.000 1.034 239 T CA -0.923 61.120 62.100 -0.095 0.000 1.010 239 T CB 1.206 70.018 68.868 -0.094 0.000 1.068 239 T HN 0.820 nan 8.240 nan 0.000 0.481 240 R N 0.927 121.421 120.500 -0.010 0.000 2.541 240 R HA 0.571 4.911 4.340 -0.000 0.000 0.254 240 R C -0.103 176.231 176.300 0.057 0.000 1.130 240 R CA -1.179 54.930 56.100 0.016 0.000 1.152 240 R CB 0.674 30.977 30.300 0.005 0.000 1.222 240 R HN 0.621 nan 8.270 nan 0.000 0.579 241 K N -0.148 120.287 120.400 0.057 0.000 2.412 241 K HA 0.106 4.426 4.320 -0.000 0.000 0.281 241 K C 0.356 177.005 176.600 0.083 0.000 1.027 241 K CA 1.222 57.556 56.287 0.079 0.000 0.989 241 K CB 0.310 32.847 32.500 0.062 0.000 0.935 241 K HN 0.864 nan 8.250 nan 0.000 0.475 242 G N 2.793 111.660 108.800 0.112 0.000 2.168 242 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.263 242 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.263 242 G C 0.013 174.979 174.900 0.111 0.000 0.977 242 G CA 0.638 45.800 45.100 0.104 0.000 0.659 242 G HN 0.746 nan 8.290 nan 0.000 0.533 243 E N 0.740 121.017 120.200 0.128 0.000 2.417 243 E HA 0.307 4.657 4.350 -0.000 0.000 0.261 243 E C 0.539 177.250 176.600 0.184 0.000 1.000 243 E CA 0.082 56.552 56.400 0.116 0.000 0.919 243 E CB 0.180 29.923 29.700 0.072 0.000 0.955 243 E HN 0.551 nan 8.360 nan 0.000 0.455 244 Q N 2.622 122.501 119.800 0.131 0.000 2.271 244 Q HA 0.408 4.748 4.340 -0.000 0.000 0.258 244 Q C -1.103 174.997 176.000 0.166 0.000 0.936 244 Q CA -0.816 55.081 55.803 0.157 0.000 0.909 244 Q CB 2.192 30.984 28.738 0.090 0.000 1.253 244 Q HN 0.311 nan 8.270 nan 0.000 0.440 245 V N 3.157 123.246 119.914 0.291 0.000 2.444 245 V HA 0.317 4.437 4.120 -0.000 0.000 0.294 245 V C -0.406 175.885 176.094 0.328 0.000 1.022 245 V CA -0.956 61.541 62.300 0.328 0.000 0.850 245 V CB 1.670 33.808 31.823 0.524 0.000 0.992 245 V HN 0.746 nan 8.190 nan 0.000 0.426 246 N N 3.059 121.888 118.700 0.214 0.000 2.430 246 N HA 0.701 5.441 4.740 -0.000 0.000 0.292 246 N C -0.439 175.136 175.510 0.107 0.000 1.051 246 N CA -0.246 52.860 53.050 0.093 0.000 0.917 246 N CB 2.459 40.965 38.487 0.032 0.000 1.164 246 N HN 0.804 nan 8.380 nan 0.000 0.484 247 A N 2.770 125.580 122.820 -0.017 0.000 2.311 247 A HA 0.436 4.756 4.320 -0.000 0.000 0.306 247 A C -0.098 177.422 177.584 -0.105 0.000 1.189 247 A CA -0.730 51.200 52.037 -0.179 0.000 0.791 247 A CB 0.679 19.519 19.000 -0.267 0.000 1.172 247 A HN 0.581 nan 8.150 nan 0.000 0.481 248 R N 1.690 122.134 120.500 -0.093 0.000 2.308 248 R HA 0.626 4.966 4.340 -0.000 0.000 0.305 248 R C -0.888 175.420 176.300 0.012 0.000 1.053 248 R CA 0.217 56.302 56.100 -0.025 0.000 0.957 248 R CB 0.823 31.124 30.300 0.001 0.000 1.022 248 R HN 0.674 nan 8.270 nan 0.000 0.461 249 I N 1.382 121.995 120.570 0.071 0.000 2.686 249 I HA 0.637 4.807 4.170 -0.000 0.000 0.295 249 I C -0.666 175.599 176.117 0.246 0.000 1.114 249 I CA -0.860 60.552 61.300 0.187 0.000 1.038 249 I CB 2.332 40.482 38.000 0.251 0.000 1.238 249 I HN 0.667 nan 8.210 nan 0.000 0.420 250 A N 3.423 126.429 122.820 0.310 0.000 2.606 250 A HA 0.912 5.232 4.320 -0.000 0.000 0.293 250 A C -0.825 176.957 177.584 0.330 0.000 1.082 250 A CA -0.433 51.785 52.037 0.301 0.000 0.685 250 A CB 2.069 21.184 19.000 0.191 0.000 1.284 250 A HN 0.754 nan 8.150 nan 0.000 0.408 251 S N -0.196 115.666 115.700 0.270 0.000 2.732 251 S HA 0.934 5.403 4.470 -0.000 0.000 0.293 251 S C -0.439 174.152 174.600 -0.015 0.000 1.159 251 S CA -0.049 58.246 58.200 0.158 0.000 0.847 251 S CB 1.553 64.878 63.200 0.208 0.000 1.169 251 S HN 2.224 nan 8.310 nan 0.000 0.501 252 S N -0.932 114.673 115.700 -0.158 0.000 2.547 252 S HA 0.614 5.084 4.470 -0.000 0.000 0.270 252 S C -1.239 173.151 174.600 -0.350 0.000 1.150 252 S CA -0.753 57.318 58.200 -0.215 0.000 0.850 252 S CB 0.676 63.807 63.200 -0.115 0.000 1.118 252 S HN 0.618 nan 8.310 nan 0.000 0.461 253 F N 2.296 122.178 119.950 -0.114 0.000 2.765 253 F HA 0.430 4.957 4.527 -0.000 0.000 0.302 253 F C 1.331 177.016 175.800 -0.192 0.000 1.111 253 F CA 0.033 57.901 58.000 -0.220 0.000 1.359 253 F CB 0.105 38.927 39.000 -0.297 0.000 1.097 253 F HN 0.435 nan 8.300 nan 0.000 0.577 254 I N -1.543 119.004 120.570 -0.039 0.000 2.900 254 I HA 0.075 4.245 4.170 -0.000 0.000 0.251 254 I C 0.711 176.508 176.117 -0.535 0.000 1.102 254 I CA 0.390 61.614 61.300 -0.127 0.000 1.457 254 I CB 0.129 38.103 38.000 -0.043 0.000 1.285 254 I HN 0.031 nan 8.210 nan 0.000 0.459 255 S N -1.566 113.687 115.700 -0.746 0.000 2.636 255 S HA 0.321 4.791 4.470 -0.000 0.000 0.266 255 S C 0.018 174.146 174.600 -0.785 0.000 1.147 255 S CA -0.700 56.814 58.200 -1.144 0.000 0.815 255 S CB 0.667 63.548 63.200 -0.533 0.000 1.119 255 S HN 0.033 nan 8.310 nan 0.000 0.470 256 F N 1.413 121.064 119.950 -0.499 0.000 2.134 256 F HA 0.041 4.568 4.527 -0.000 0.000 0.299 256 F C 2.717 178.448 175.800 -0.115 0.000 1.097 256 F CA 1.914 59.814 58.000 -0.166 0.000 1.264 256 F CB -0.408 38.554 39.000 -0.064 0.000 1.001 256 F HN 0.929 nan 8.300 nan 0.000 0.479 257 E N 0.079 120.305 120.200 0.043 0.000 2.058 257 E HA -0.328 4.021 4.350 -0.000 0.000 0.194 257 E C 2.224 178.823 176.600 -0.001 0.000 0.997 257 E CA 1.451 57.863 56.400 0.021 0.000 0.801 257 E CB -0.157 29.539 29.700 -0.007 0.000 0.746 257 E HN 0.310 nan 8.360 nan 0.000 0.450 258 Q N 0.575 120.341 119.800 -0.057 0.000 2.084 258 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 258 Q C 1.883 177.878 176.000 -0.008 0.000 0.978 258 Q CA 1.998 57.776 55.803 -0.040 0.000 0.844 258 Q CB -0.529 28.165 28.738 -0.074 0.000 0.898 258 Q HN 0.371 nan 8.270 nan 0.000 0.426 259 A N 0.326 123.139 122.820 -0.012 0.000 1.908 259 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 259 A C 2.302 179.937 177.584 0.086 0.000 1.181 259 A CA 2.111 54.179 52.037 0.053 0.000 0.627 259 A CB -1.255 17.801 19.000 0.094 0.000 0.818 259 A HN 0.532 nan 8.150 nan 0.000 0.445 260 A N -0.243 122.629 122.820 0.086 0.000 1.902 260 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 260 A C 2.528 180.149 177.584 0.062 0.000 1.181 260 A CA 2.197 54.282 52.037 0.080 0.000 0.623 260 A CB -1.060 17.982 19.000 0.070 0.000 0.818 260 A HN 1.102 nan 8.150 nan 0.000 0.443 261 A N 0.444 123.293 122.820 0.048 0.000 1.902 261 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 261 A C 1.866 179.481 177.584 0.052 0.000 1.181 261 A CA 1.843 53.906 52.037 0.044 0.000 0.623 261 A CB -0.699 18.322 19.000 0.035 0.000 0.818 261 A HN 0.550 nan 8.150 nan 0.000 0.443 262 N N -0.730 118.004 118.700 0.056 0.000 2.205 262 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 262 N C 1.479 177.036 175.510 0.078 0.000 1.015 262 N CA 1.737 54.826 53.050 0.066 0.000 0.862 262 N CB -0.524 38.005 38.487 0.070 0.000 0.986 262 N HN 0.498 nan 8.380 nan 0.000 0.429 263 M N 1.351 121.001 119.600 0.083 0.000 2.195 263 M HA -0.116 4.364 4.480 -0.000 0.000 0.260 263 M C 0.886 177.224 176.300 0.064 0.000 1.066 263 M CA 1.477 56.827 55.300 0.083 0.000 1.089 263 M CB -0.614 32.035 32.600 0.083 0.000 1.377 263 M HN 0.151 nan 8.290 nan 0.000 0.411 264 N N -0.401 118.333 118.700 0.057 0.000 2.573 264 N HA -0.125 4.615 4.740 -0.000 0.000 0.187 264 N C 1.057 176.595 175.510 0.047 0.000 1.107 264 N CA 0.735 53.813 53.050 0.047 0.000 0.918 264 N CB -0.099 38.414 38.487 0.043 0.000 0.966 264 N HN 0.571 nan 8.380 nan 0.000 0.448 265 E N 0.635 120.868 120.200 0.055 0.000 2.204 265 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 265 E C 1.519 178.146 176.600 0.045 0.000 0.990 265 E CA 0.658 57.091 56.400 0.054 0.000 0.821 265 E CB 0.019 29.759 29.700 0.066 0.000 0.750 265 E HN 0.472 nan 8.360 nan 0.000 0.477 266 L N -0.031 121.217 121.223 0.041 0.000 2.240 266 L HA 0.020 4.360 4.340 -0.000 0.000 0.211 266 L C 1.655 178.537 176.870 0.021 0.000 1.106 266 L CA 0.417 55.273 54.840 0.027 0.000 0.793 266 L CB -1.025 41.048 42.059 0.023 0.000 0.927 266 L HN 0.229 nan 8.230 nan 0.000 0.446 267 G N 0.669 109.485 108.800 0.026 0.000 2.596 267 G HA2 -0.489 3.471 3.960 -0.000 0.000 0.295 267 G HA3 -0.489 3.471 3.960 -0.000 0.000 0.295 267 G C 0.705 175.615 174.900 0.016 0.000 1.240 267 G CA 0.747 45.860 45.100 0.021 0.000 0.985 267 G HN 0.326 nan 8.290 nan 0.000 0.555 268 K N 0.015 120.422 120.400 0.011 0.000 2.399 268 K HA 0.450 4.770 4.320 -0.000 0.000 0.204 268 K C 0.586 177.187 176.600 0.001 0.000 1.023 268 K CA 1.118 57.410 56.287 0.007 0.000 1.127 268 K CB -0.017 32.487 32.500 0.006 0.000 0.856 268 K HN 0.638 nan 8.250 nan 0.000 0.514 269 D N 2.128 122.528 120.400 -0.000 0.000 2.423 269 D HA 0.071 4.711 4.640 -0.000 0.000 0.238 269 D C 0.447 176.739 176.300 -0.013 0.000 1.142 269 D CA 0.078 54.074 54.000 -0.007 0.000 0.884 269 D CB 0.917 41.713 40.800 -0.006 0.000 1.199 269 D HN 0.668 nan 8.370 nan 0.000 0.438 270 N N 0.986 119.676 118.700 -0.018 0.000 2.476 270 N HA 0.137 4.877 4.740 -0.000 0.000 0.287 270 N C 1.116 176.608 175.510 -0.029 0.000 1.262 270 N CA -0.572 52.464 53.050 -0.023 0.000 0.980 270 N CB 0.603 39.077 38.487 -0.021 0.000 1.163 270 N HN 0.134 nan 8.380 nan 0.000 0.592 271 I N -0.325 120.226 120.570 -0.032 0.000 2.151 271 I HA -0.229 3.940 4.170 -0.000 0.000 0.243 271 I C 1.745 177.839 176.117 -0.039 0.000 1.080 271 I CA 1.706 62.992 61.300 -0.023 0.000 1.339 271 I CB -1.112 36.887 38.000 -0.002 0.000 1.039 271 I HN 0.579 nan 8.210 nan 0.000 0.409 272 E N 0.678 120.839 120.200 -0.064 0.000 2.058 272 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 272 E C 2.236 178.790 176.600 -0.076 0.000 0.997 272 E CA 1.244 57.587 56.400 -0.095 0.000 0.801 272 E CB -0.293 29.356 29.700 -0.085 0.000 0.746 272 E HN 0.496 nan 8.360 nan 0.000 0.450 273 Q N -0.180 119.589 119.800 -0.052 0.000 2.050 273 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 273 Q C 2.279 178.260 176.000 -0.031 0.000 0.980 273 Q CA 1.204 56.982 55.803 -0.042 0.000 0.840 273 Q CB -0.159 28.562 28.738 -0.029 0.000 0.898 273 Q HN 0.275 nan 8.270 nan 0.000 0.424 274 L N -0.075 121.140 121.223 -0.014 0.000 2.093 274 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 274 L C 2.501 179.398 176.870 0.044 0.000 1.085 274 L CA 0.750 55.597 54.840 0.012 0.000 0.755 274 L CB -0.619 41.446 42.059 0.011 0.000 0.904 274 L HN 0.221 nan 8.230 nan 0.000 0.435 275 A N -0.080 122.770 122.820 0.050 0.000 1.873 275 A HA -0.333 3.987 4.320 -0.000 0.000 0.218 275 A C 2.227 179.768 177.584 -0.071 0.000 1.193 275 A CA 2.220 54.333 52.037 0.127 0.000 0.629 275 A CB -0.677 18.334 19.000 0.018 0.000 0.826 275 A HN 0.400 nan 8.150 nan 0.000 0.447 276 Q N -0.029 119.697 119.800 -0.124 0.000 2.096 276 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 276 Q C 1.955 177.867 176.000 -0.147 0.000 0.982 276 Q CA 2.342 58.034 55.803 -0.184 0.000 0.850 276 Q CB -0.307 28.353 28.738 -0.129 0.000 0.901 276 Q HN 0.699 nan 8.270 nan 0.000 0.422 277 K N -1.115 119.244 120.400 -0.069 0.000 2.057 277 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 277 K C 2.014 178.610 176.600 -0.006 0.000 1.049 277 K CA 1.076 57.344 56.287 -0.031 0.000 0.931 277 K CB -0.454 32.044 32.500 -0.004 0.000 0.714 277 K HN 0.400 nan 8.250 nan 0.000 0.440 278 G N 1.947 110.772 108.800 0.042 0.000 2.418 278 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 278 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 278 G C 1.427 176.429 174.900 0.170 0.000 1.158 278 G CA 0.903 46.108 45.100 0.175 0.000 0.771 278 G HN 0.253 nan 8.290 nan 0.000 0.545 279 K N 0.304 120.548 120.400 -0.261 0.000 2.063 279 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 279 K C 1.955 178.493 176.600 -0.103 0.000 1.048 279 K CA 1.751 57.722 56.287 -0.528 0.000 0.928 279 K CB -0.170 31.666 32.500 -1.106 0.000 0.713 279 K HN 0.128 nan 8.250 nan 0.000 0.442 280 D N 0.431 120.777 120.400 -0.090 0.000 2.097 280 D HA -0.127 4.513 4.640 -0.000 0.000 0.195 280 D C 1.850 178.175 176.300 0.041 0.000 0.989 280 D CA 1.465 55.456 54.000 -0.014 0.000 0.827 280 D CB -0.344 40.438 40.800 -0.029 0.000 0.966 280 D HN 0.384 nan 8.370 nan 0.000 0.456 281 A N 0.048 122.878 122.820 0.017 0.000 1.908 281 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 281 A C 2.181 179.724 177.584 -0.067 0.000 1.181 281 A CA 1.312 53.318 52.037 -0.052 0.000 0.627 281 A CB -1.220 17.701 19.000 -0.132 0.000 0.818 281 A HN 0.321 nan 8.150 nan 0.000 0.445 282 W N -0.104 121.229 121.300 0.054 0.000 2.418 282 W HA -0.049 4.610 4.660 -0.000 0.000 0.292 282 W C 2.184 178.772 176.519 0.116 0.000 1.213 282 W CA 1.211 58.603 57.345 0.077 0.000 1.283 282 W CB -0.292 29.240 29.460 0.119 0.000 1.119 282 W HN 0.432 nan 8.180 nan 0.000 0.542 283 N N -0.146 118.763 118.700 0.349 0.000 2.309 283 N HA -0.229 4.511 4.740 -0.000 0.000 0.182 283 N C 1.643 177.336 175.510 0.306 0.000 1.018 283 N CA 1.167 54.455 53.050 0.396 0.000 0.876 283 N CB -0.231 38.465 38.487 0.347 0.000 0.972 283 N HN 0.140 nan 8.380 nan 0.000 0.434 284 Q N 1.050 120.968 119.800 0.197 0.000 2.124 284 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 284 Q C 1.864 177.959 176.000 0.159 0.000 0.977 284 Q CA 1.578 57.468 55.803 0.145 0.000 0.850 284 Q CB 0.070 28.868 28.738 0.100 0.000 0.901 284 Q HN 0.371 nan 8.270 nan 0.000 0.429 285 V N -2.406 117.608 119.914 0.166 0.000 2.725 285 V HA 0.006 4.126 4.120 -0.000 0.000 0.247 285 V C 2.115 178.383 176.094 0.290 0.000 1.058 285 V CA 0.953 63.406 62.300 0.255 0.000 1.080 285 V CB -0.611 31.213 31.823 0.002 0.000 0.713 285 V HN 0.318 nan 8.190 nan 0.000 0.465 286 L N 1.585 122.951 121.223 0.238 0.000 2.072 286 L HA 0.108 4.448 4.340 -0.000 0.000 0.205 286 L C 2.723 179.500 176.870 -0.155 0.000 1.079 286 L CA 1.613 56.577 54.840 0.207 0.000 0.752 286 L CB -1.086 41.148 42.059 0.292 0.000 0.906 286 L HN 0.496 nan 8.230 nan 0.000 0.436 287 G N -0.496 108.038 108.800 -0.443 0.000 2.708 287 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.210 287 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.210 287 G C 1.485 176.159 174.900 -0.378 0.000 1.141 287 G CA 0.144 44.590 45.100 -1.089 0.000 0.788 287 G HN 0.116 nan 8.290 nan 0.000 0.531 288 K N -0.012 120.325 120.400 -0.104 0.000 2.362 288 K HA 0.123 4.443 4.320 -0.000 0.000 0.200 288 K C 0.577 177.080 176.600 -0.162 0.000 1.046 288 K CA 0.338 56.601 56.287 -0.040 0.000 0.952 288 K CB 0.155 32.620 32.500 -0.057 0.000 0.753 288 K HN 0.376 nan 8.250 nan 0.000 0.466 289 I N 1.687 122.166 120.570 -0.152 0.000 2.476 289 I HA 0.143 4.313 4.170 -0.000 0.000 0.281 289 I C -0.746 175.272 176.117 -0.165 0.000 1.040 289 I CA -0.409 60.799 61.300 -0.154 0.000 1.094 289 I CB 1.742 39.764 38.000 0.036 0.000 1.219 289 I HN -0.153 nan 8.210 nan 0.000 0.450 290 E N 6.104 126.159 120.200 -0.242 0.000 2.109 290 E HA 0.424 4.773 4.350 -0.000 0.000 0.278 290 E C -0.568 175.901 176.600 -0.218 0.000 0.954 290 E CA -0.659 55.658 56.400 -0.140 0.000 0.779 290 E CB 2.368 32.071 29.700 0.005 0.000 1.093 290 E HN 0.437 nan 8.360 nan 0.000 0.401 291 V N 0.311 120.041 119.914 -0.308 0.000 2.630 291 V HA 0.607 4.727 4.120 -0.000 0.000 0.305 291 V C -0.276 175.607 176.094 -0.352 0.000 1.046 291 V CA -0.626 61.297 62.300 -0.629 0.000 0.934 291 V CB 1.624 32.452 31.823 -1.659 0.000 1.003 291 V HN 0.643 nan 8.190 nan 0.000 0.451 292 E N 1.563 121.653 120.200 -0.182 0.000 2.433 292 E HA 0.651 5.001 4.350 -0.000 0.000 0.278 292 E C 0.172 176.910 176.600 0.230 0.000 0.976 292 E CA -0.705 55.734 56.400 0.065 0.000 0.793 292 E CB 1.924 31.643 29.700 0.032 0.000 1.311 292 E HN 1.579 nan 8.360 nan 0.000 0.460 293 G N 0.498 109.473 108.800 0.292 0.000 2.272 293 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.280 293 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.280 293 G C 0.092 175.131 174.900 0.233 0.000 1.067 293 G CA 0.164 45.395 45.100 0.218 0.000 0.902 293 G HN 0.717 nan 8.290 nan 0.000 0.500 294 G N -0.561 108.365 108.800 0.210 0.000 3.015 294 G HA2 0.801 4.761 3.960 -0.000 0.000 0.281 294 G HA3 0.801 4.761 3.960 -0.000 0.000 0.281 294 G C -0.277 174.370 174.900 -0.422 0.000 1.386 294 G CA -0.077 44.958 45.100 -0.107 0.000 0.959 294 G HN 1.009 nan 8.290 nan 0.000 0.522 295 N N -1.432 117.014 118.700 -0.423 0.000 2.485 295 N HA 0.354 5.094 4.740 -0.000 0.000 0.280 295 N C 0.943 176.225 175.510 -0.380 0.000 1.205 295 N CA -0.885 51.982 53.050 -0.304 0.000 0.959 295 N CB 1.444 39.848 38.487 -0.139 0.000 1.206 295 N HN 0.294 nan 8.380 nan 0.000 0.545 296 L N -0.016 121.154 121.223 -0.088 0.000 2.079 296 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 296 L C 0.972 177.892 176.870 0.084 0.000 1.081 296 L CA 1.849 56.748 54.840 0.098 0.000 0.752 296 L CB -0.947 41.221 42.059 0.181 0.000 0.896 296 L HN 0.602 nan 8.230 nan 0.000 0.433 297 D N -0.810 119.604 120.400 0.023 0.000 2.123 297 D HA -0.220 4.419 4.640 -0.000 0.000 0.196 297 D C 2.187 178.526 176.300 0.065 0.000 0.992 297 D CA 1.436 55.459 54.000 0.039 0.000 0.833 297 D CB -0.049 40.754 40.800 0.005 0.000 0.954 297 D HN 0.536 nan 8.370 nan 0.000 0.455 298 Q N -0.869 118.941 119.800 0.016 0.000 2.083 298 Q HA -0.119 4.221 4.340 -0.000 0.000 0.198 298 Q C 2.108 178.322 176.000 0.357 0.000 0.969 298 Q CA 0.727 56.608 55.803 0.132 0.000 0.838 298 Q CB -0.152 28.532 28.738 -0.091 0.000 0.900 298 Q HN 0.356 nan 8.270 nan 0.000 0.436 299 Y N 1.051 121.485 120.300 0.223 0.000 2.165 299 Y HA -0.195 4.355 4.550 -0.000 0.000 0.286 299 Y C 2.274 178.269 175.900 0.159 0.000 1.155 299 Y CA 1.115 59.212 58.100 -0.005 0.000 1.164 299 Y CB -0.407 37.709 38.460 -0.573 0.000 0.978 299 Y HN 0.035 nan 8.280 nan 0.000 0.513 300 R N -0.882 119.824 120.500 0.343 0.000 2.066 300 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 300 R C 2.237 178.678 176.300 0.235 0.000 1.131 300 R CA 1.845 58.149 56.100 0.340 0.000 0.955 300 R CB -0.821 29.633 30.300 0.258 0.000 0.851 300 R HN 0.221 nan 8.270 nan 0.000 0.432 301 T N 1.110 115.754 114.554 0.150 0.000 2.684 301 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 301 T C 1.419 176.145 174.700 0.042 0.000 1.036 301 T CA 1.491 63.572 62.100 -0.031 0.000 1.148 301 T CB -0.355 68.400 68.868 -0.188 0.000 0.863 301 T HN 0.169 nan 8.240 nan 0.000 0.436 302 F N 0.706 120.766 119.950 0.182 0.000 2.075 302 F HA -0.143 4.384 4.527 -0.000 0.000 0.297 302 F C 2.004 177.780 175.800 -0.041 0.000 1.113 302 F CA 1.292 59.405 58.000 0.188 0.000 1.218 302 F CB -0.348 38.711 39.000 0.097 0.000 0.984 302 F HN 0.139 nan 8.300 nan 0.000 0.472 303 Y N -0.229 120.283 120.300 0.353 0.000 2.337 303 Y HA -0.095 4.455 4.550 -0.000 0.000 0.293 303 Y C 2.746 178.741 175.900 0.158 0.000 1.123 303 Y CA 1.197 59.443 58.100 0.242 0.000 1.201 303 Y CB -1.119 37.568 38.460 0.378 0.000 1.011 303 Y HN -0.008 nan 8.280 nan 0.000 0.545 304 S N -0.750 115.109 115.700 0.265 0.000 2.353 304 S HA -0.242 4.228 4.470 -0.000 0.000 0.222 304 S C 2.261 177.009 174.600 0.247 0.000 1.035 304 S CA 1.570 59.897 58.200 0.212 0.000 1.025 304 S CB -0.878 62.394 63.200 0.119 0.000 0.902 304 S HN 0.543 nan 8.310 nan 0.000 0.440 305 C N 0.884 120.262 119.300 0.131 0.000 2.429 305 C HA -0.019 4.441 4.460 -0.000 0.000 0.277 305 C C 2.519 177.553 174.990 0.073 0.000 1.262 305 C CA 0.553 59.656 59.018 0.142 0.000 1.733 305 C CB -1.345 26.451 27.740 0.093 0.000 2.010 305 C HN 0.520 nan 8.230 nan 0.000 0.483 306 L N 0.437 121.634 121.223 -0.044 0.000 2.046 306 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 306 L C 2.347 179.306 176.870 0.147 0.000 1.077 306 L CA 2.023 56.855 54.840 -0.013 0.000 0.747 306 L CB -1.372 40.661 42.059 -0.044 0.000 0.896 306 L HN 0.553 nan 8.230 nan 0.000 0.432 307 Y N 0.416 120.748 120.300 0.053 0.000 2.081 307 Y HA -0.283 4.267 4.550 -0.000 0.000 0.280 307 Y C 2.457 178.359 175.900 0.003 0.000 1.163 307 Y CA 1.964 60.038 58.100 -0.045 0.000 1.135 307 Y CB -0.364 37.937 38.460 -0.265 0.000 0.970 307 Y HN 0.104 nan 8.280 nan 0.000 0.498 308 R N 0.148 120.517 120.500 -0.218 0.000 2.237 308 R HA -0.043 4.297 4.340 -0.000 0.000 0.219 308 R C 2.008 178.283 176.300 -0.042 0.000 1.080 308 R CA 1.078 57.025 56.100 -0.255 0.000 0.995 308 R CB -0.608 29.701 30.300 0.014 0.000 0.875 308 R HN 0.353 nan 8.270 nan 0.000 0.462 309 S N 0.597 116.307 115.700 0.018 0.000 2.603 309 S HA 0.154 4.624 4.470 -0.000 0.000 0.220 309 S C 1.135 175.757 174.600 0.038 0.000 0.967 309 S CA 0.330 58.575 58.200 0.074 0.000 0.920 309 S CB 0.187 63.441 63.200 0.089 0.000 0.773 309 S HN 0.204 nan 8.310 nan 0.000 0.529 310 L N 0.831 121.986 121.223 -0.114 0.000 3.255 310 L HA 0.425 4.765 4.340 -0.000 0.000 0.293 310 L C 0.407 176.782 176.870 -0.824 0.000 1.302 310 L CA 0.133 54.673 54.840 -0.500 0.000 0.977 310 L CB 0.220 41.914 42.059 -0.608 0.000 1.390 310 L HN 0.217 nan 8.230 nan 0.000 0.588 311 L N -1.459 119.579 121.223 -0.309 0.000 2.663 311 L HA 0.355 4.695 4.340 -0.000 0.000 0.218 311 L C -0.168 176.680 176.870 -0.036 0.000 1.043 311 L CA 0.264 54.953 54.840 -0.252 0.000 0.876 311 L CB 0.582 42.417 42.059 -0.374 0.000 1.263 311 L HN 0.035 nan 8.230 nan 0.000 0.486 312 F N 0.995 121.147 119.950 0.337 0.000 2.522 312 F HA 0.500 5.027 4.527 -0.000 0.000 0.324 312 F C -2.203 173.799 175.800 0.335 0.000 1.077 312 F CA -2.603 55.622 58.000 0.375 0.000 0.944 312 F CB 0.879 40.038 39.000 0.266 0.000 1.175 312 F HN -0.263 nan 8.300 nan 0.000 0.468 313 P HA 0.192 nan 4.420 nan 0.000 0.274 313 P C -1.063 176.653 177.300 0.694 0.000 1.231 313 P CA -0.596 62.873 63.100 0.614 0.000 0.790 313 P CB 0.948 32.980 31.700 0.553 0.000 0.951 314 R N 1.196 122.017 120.500 0.536 0.000 2.459 314 R HA 0.353 4.693 4.340 -0.000 0.000 0.281 314 R C -0.132 176.347 176.300 0.298 0.000 1.050 314 R CA -0.829 55.512 56.100 0.401 0.000 1.055 314 R CB 0.560 30.948 30.300 0.147 0.000 1.045 314 R HN 0.275 nan 8.270 nan 0.000 0.495 315 K N 1.779 122.196 120.400 0.028 0.000 2.530 315 K HA -0.133 4.187 4.320 -0.000 0.000 0.280 315 K C -0.444 176.115 176.600 -0.069 0.000 1.004 315 K CA 0.642 56.640 56.287 -0.483 0.000 1.071 315 K CB 0.196 32.456 32.500 -0.400 0.000 0.876 315 K HN 0.538 nan 8.250 nan 0.000 0.487 316 F N 3.732 123.555 119.950 -0.212 0.000 2.724 316 F HA 0.143 4.670 4.527 -0.000 0.000 0.310 316 F C -0.489 175.406 175.800 0.159 0.000 1.107 316 F CA -0.713 57.298 58.000 0.019 0.000 1.218 316 F CB 0.469 39.483 39.000 0.024 0.000 1.042 316 F HN 0.487 nan 8.300 nan 0.000 0.540 317 Y N -0.489 119.857 120.300 0.078 0.000 2.496 317 Y HA 0.799 5.349 4.550 -0.000 0.000 0.331 317 Y C -0.541 175.421 175.900 0.104 0.000 1.140 317 Y CA -1.173 57.012 58.100 0.143 0.000 1.166 317 Y CB 0.751 39.325 38.460 0.190 0.000 1.249 317 Y HN 0.052 nan 8.280 nan 0.000 0.479 318 E N 1.956 122.271 120.200 0.192 0.000 2.410 318 E HA 0.476 4.826 4.350 -0.000 0.000 0.269 318 E C -1.627 175.075 176.600 0.170 0.000 0.937 318 E CA -1.230 55.223 56.400 0.088 0.000 0.793 318 E CB 2.187 31.924 29.700 0.061 0.000 1.314 318 E HN 0.368 nan 8.360 nan 0.000 0.447 319 L N 2.430 123.725 121.223 0.120 0.000 2.307 319 L HA 0.306 4.646 4.340 -0.000 0.000 0.284 319 L C 0.048 176.965 176.870 0.079 0.000 1.023 319 L CA -0.525 54.391 54.840 0.125 0.000 0.810 319 L CB 0.482 42.616 42.059 0.125 0.000 1.231 319 L HN 0.695 nan 8.230 nan 0.000 0.423 320 D N 1.972 122.411 120.400 0.066 0.000 2.440 320 D HA 0.290 4.930 4.640 -0.000 0.000 0.269 320 D C 1.187 177.509 176.300 0.038 0.000 1.249 320 D CA -0.057 53.968 54.000 0.041 0.000 1.055 320 D CB 0.538 41.354 40.800 0.028 0.000 1.104 320 D HN 0.460 nan 8.370 nan 0.000 0.561 321 A N -0.185 122.652 122.820 0.027 0.000 1.927 321 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 321 A C 1.562 179.164 177.584 0.030 0.000 1.185 321 A CA 1.639 53.691 52.037 0.026 0.000 0.639 321 A CB -0.840 18.171 19.000 0.019 0.000 0.820 321 A HN 0.614 nan 8.150 nan 0.000 0.451 322 N N -0.719 117.998 118.700 0.029 0.000 2.295 322 N HA 0.222 4.962 4.740 -0.000 0.000 0.221 322 N C 0.955 176.489 175.510 0.039 0.000 1.129 322 N CA 0.846 53.914 53.050 0.030 0.000 0.836 322 N CB 0.365 38.866 38.487 0.023 0.000 1.040 322 N HN 0.677 nan 8.380 nan 0.000 0.494 323 G N 0.842 109.672 108.800 0.050 0.000 2.168 323 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.257 323 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.257 323 G C 0.003 174.947 174.900 0.073 0.000 0.997 323 G CA 0.112 45.253 45.100 0.069 0.000 0.708 323 G HN 0.239 nan 8.290 nan 0.000 0.520 324 Q N 0.312 120.141 119.800 0.049 0.000 2.235 324 Q HA 0.456 4.796 4.340 -0.000 0.000 0.250 324 Q C -2.238 173.783 176.000 0.034 0.000 0.909 324 Q CA -2.219 53.597 55.803 0.021 0.000 0.910 324 Q CB 1.565 30.302 28.738 -0.003 0.000 1.223 324 Q HN 0.321 nan 8.270 nan 0.000 0.432 325 P HA 0.258 nan 4.420 nan 0.000 0.281 325 P C -0.480 176.836 177.300 0.026 0.000 1.252 325 P CA -0.044 63.071 63.100 0.025 0.000 0.778 325 P CB 0.566 32.039 31.700 -0.379 0.000 0.895 326 I N 0.907 121.558 120.570 0.135 0.000 3.206 326 I HA 0.713 4.883 4.170 -0.000 0.000 0.313 326 I C -0.605 175.654 176.117 0.237 0.000 1.103 326 I CA -1.140 60.214 61.300 0.089 0.000 0.985 326 I CB 2.619 40.634 38.000 0.024 0.000 1.240 326 I HN 0.420 nan 8.210 nan 0.000 0.464 327 H N 0.591 119.756 119.070 0.160 0.000 3.085 327 H HA 0.263 4.819 4.556 -0.000 0.000 0.356 327 H C -2.187 173.280 175.328 0.231 0.000 1.178 327 H CA -0.746 55.433 56.048 0.217 0.000 1.214 327 H CB 1.038 30.977 29.762 0.294 0.000 1.881 327 H HN 0.802 nan 8.280 nan 0.000 0.538 328 Y N 2.560 123.006 120.300 0.244 0.000 2.526 328 Y HA 0.144 4.694 4.550 -0.000 0.000 0.330 328 Y C 0.305 176.486 175.900 0.467 0.000 1.156 328 Y CA 0.325 58.576 58.100 0.251 0.000 1.419 328 Y CB 0.816 39.415 38.460 0.233 0.000 1.250 328 Y HN 0.652 nan 8.280 nan 0.000 0.540 329 S N 8.728 124.313 115.700 -0.191 0.000 2.416 329 S HA 0.270 4.740 4.470 -0.000 0.000 0.287 329 S C -1.645 172.665 174.600 -0.483 0.000 1.139 329 S CA -1.531 56.641 58.200 -0.046 0.000 1.058 329 S CB 0.503 63.737 63.200 0.056 0.000 0.967 329 S HN 0.671 nan 8.310 nan 0.000 0.495 330 P HA -0.006 nan 4.420 nan 0.000 0.239 330 P C 0.026 176.975 177.300 -0.585 0.000 1.184 330 P CA 0.697 63.511 63.100 -0.478 0.000 0.760 330 P CB -0.123 31.111 31.700 -0.778 0.000 0.884 331 Y N 1.045 121.216 120.300 -0.215 0.000 2.500 331 Y HA 0.071 4.621 4.550 -0.000 0.000 0.284 331 Y C 2.001 177.856 175.900 -0.075 0.000 1.118 331 Y CA 0.925 58.936 58.100 -0.148 0.000 1.241 331 Y CB -0.420 37.955 38.460 -0.142 0.000 1.171 331 Y HN 0.086 nan 8.280 nan 0.000 0.540 332 N N -1.413 117.320 118.700 0.054 0.000 2.143 332 N HA 0.204 4.944 4.740 -0.000 0.000 0.222 332 N C 1.229 176.730 175.510 -0.016 0.000 1.264 332 N CA 0.615 53.684 53.050 0.031 0.000 0.897 332 N CB 0.729 39.240 38.487 0.041 0.000 1.092 332 N HN 0.231 nan 8.380 nan 0.000 0.516 333 G N -0.020 108.698 108.800 -0.136 0.000 2.162 333 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 333 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 333 G C -0.268 174.624 174.900 -0.014 0.000 0.976 333 G CA 0.574 45.602 45.100 -0.121 0.000 0.655 333 G HN 0.530 nan 8.290 nan 0.000 0.533 334 Q N -0.968 118.803 119.800 -0.048 0.000 2.185 334 Q HA 0.654 4.994 4.340 -0.000 0.000 0.225 334 Q C -0.077 175.920 176.000 -0.004 0.000 0.983 334 Q CA -0.738 55.068 55.803 0.006 0.000 0.950 334 Q CB 2.020 30.754 28.738 -0.008 0.000 1.176 334 Q HN 0.174 nan 8.270 nan 0.000 0.510 335 V N 2.359 122.280 119.914 0.012 0.000 2.347 335 V HA 0.425 4.545 4.120 -0.000 0.000 0.280 335 V C -0.475 175.546 176.094 -0.120 0.000 1.021 335 V CA -0.361 61.926 62.300 -0.021 0.000 0.847 335 V CB 0.631 32.472 31.823 0.031 0.000 0.990 335 V HN 0.494 nan 8.190 nan 0.000 0.444 336 L N 6.889 127.929 121.223 -0.306 0.000 2.350 336 L HA 0.651 4.991 4.340 -0.000 0.000 0.260 336 L C -2.449 174.208 176.870 -0.356 0.000 1.015 336 L CA -2.007 52.655 54.840 -0.297 0.000 0.821 336 L CB 3.175 45.079 42.059 -0.259 0.000 1.370 336 L HN 0.377 nan 8.230 nan 0.000 0.416 337 P HA 0.351 nan 4.420 nan 0.000 0.274 337 P C -0.102 177.196 177.300 -0.004 0.000 1.246 337 P CA 0.261 63.312 63.100 -0.082 0.000 0.795 337 P CB 1.162 32.833 31.700 -0.049 0.000 1.006 338 G N -0.278 108.516 108.800 -0.010 0.000 2.603 338 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.686 338 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.686 338 G C -1.440 173.472 174.900 0.020 0.000 1.286 338 G CA -0.935 44.140 45.100 -0.042 0.000 0.871 338 G HN 0.314 nan 8.290 nan 0.000 0.568 339 Y N -0.771 119.554 120.300 0.043 0.000 2.326 339 Y HA 0.724 5.274 4.550 -0.000 0.000 0.333 339 Y C 0.948 176.860 175.900 0.020 0.000 1.240 339 Y CA 0.152 58.204 58.100 -0.081 0.000 1.365 339 Y CB 1.522 39.957 38.460 -0.042 0.000 1.289 339 Y HN 0.809 nan 8.280 nan 0.000 0.548 340 M N 2.796 122.578 119.600 0.304 0.000 2.325 340 M HA 0.508 4.988 4.480 -0.000 0.000 0.285 340 M C -2.405 174.122 176.300 0.378 0.000 1.119 340 M CA -0.898 54.523 55.300 0.202 0.000 0.959 340 M CB 1.039 33.507 32.600 -0.220 0.000 1.737 340 M HN 0.388 nan 8.290 nan 0.000 0.486 341 F N 0.924 121.032 119.950 0.265 0.000 2.620 341 F HA 0.930 5.457 4.527 -0.000 0.000 0.320 341 F C 0.275 176.176 175.800 0.169 0.000 1.069 341 F CA -0.365 57.809 58.000 0.290 0.000 0.953 341 F CB 2.522 41.689 39.000 0.279 0.000 1.322 341 F HN 0.645 nan 8.300 nan 0.000 0.479 342 T N -0.927 113.831 114.554 0.341 0.000 2.658 342 T HA 0.357 4.707 4.350 -0.000 0.000 0.305 342 T C -2.204 172.662 174.700 0.277 0.000 1.551 342 T CA -0.557 61.632 62.100 0.148 0.000 0.985 342 T CB 0.907 69.629 68.868 -0.244 0.000 1.731 342 T HN 0.633 nan 8.240 nan 0.000 0.486 343 D N 0.800 121.351 120.400 0.251 0.000 2.800 343 D HA -0.084 4.556 4.640 -0.000 0.000 0.248 343 D C -0.525 175.964 176.300 0.316 0.000 1.091 343 D CA 1.467 55.721 54.000 0.423 0.000 0.746 343 D CB -1.465 39.698 40.800 0.604 0.000 1.062 343 D HN 0.648 nan 8.370 nan 0.000 0.431 344 T N -1.169 113.370 114.554 -0.025 0.000 2.932 344 T HA 0.610 4.960 4.350 -0.000 0.000 0.318 344 T C -0.571 173.416 174.700 -1.189 0.000 1.265 344 T CA 0.004 61.868 62.100 -0.394 0.000 1.036 344 T CB 1.782 70.679 68.868 0.049 0.000 1.209 344 T HN 0.216 nan 8.240 nan 0.000 0.484 345 G N 2.456 110.241 108.800 -1.692 0.000 2.437 345 G HA2 0.545 4.505 3.960 -0.000 0.000 0.315 345 G HA3 0.545 4.505 3.960 -0.000 0.000 0.315 345 G C 0.384 174.997 174.900 -0.479 0.000 1.210 345 G CA -0.548 43.374 45.100 -1.965 0.000 0.943 345 G HN 0.601 nan 8.290 nan 0.000 0.471 346 F N 1.063 120.917 119.950 -0.160 0.000 2.269 346 F HA 0.060 4.587 4.527 -0.000 0.000 0.301 346 F C 2.004 177.982 175.800 0.296 0.000 1.082 346 F CA -0.213 57.836 58.000 0.082 0.000 1.360 346 F CB -0.330 38.697 39.000 0.045 0.000 1.041 346 F HN 0.743 nan 8.300 nan 0.000 0.512 347 W N 1.733 123.218 121.300 0.309 0.000 2.325 347 W HA -0.233 4.426 4.660 -0.000 0.000 0.299 347 W C 1.960 178.663 176.519 0.306 0.000 1.215 347 W CA 2.108 59.680 57.345 0.380 0.000 1.244 347 W CB -0.229 29.430 29.460 0.331 0.000 1.140 347 W HN -0.076 nan 8.180 nan 0.000 0.523 348 D N -1.314 119.294 120.400 0.346 0.000 2.110 348 D HA -0.127 4.513 4.640 -0.000 0.000 0.202 348 D C 2.125 178.431 176.300 0.010 0.000 0.975 348 D CA 2.555 56.622 54.000 0.111 0.000 0.839 348 D CB -0.929 40.001 40.800 0.217 0.000 0.996 348 D HN 0.259 nan 8.370 nan 0.000 0.464 349 T N -0.895 113.768 114.554 0.183 0.000 3.107 349 T HA 0.006 4.356 4.350 -0.000 0.000 0.249 349 T C 1.861 176.761 174.700 0.334 0.000 1.096 349 T CA -0.249 62.016 62.100 0.275 0.000 1.012 349 T CB -0.702 68.430 68.868 0.440 0.000 0.977 349 T HN 0.214 nan 8.240 nan 0.000 0.527 350 F N 1.958 122.010 119.950 0.170 0.000 2.293 350 F HA 0.250 4.777 4.527 -0.000 0.000 0.300 350 F C 2.213 178.009 175.800 -0.006 0.000 1.086 350 F CA -0.073 57.942 58.000 0.025 0.000 1.375 350 F CB -0.372 38.575 39.000 -0.089 0.000 1.045 350 F HN -0.050 nan 8.300 nan 0.000 0.516 351 R N 0.364 120.328 120.500 -0.893 0.000 2.070 351 R HA -0.120 4.220 4.340 -0.000 0.000 0.233 351 R C 1.987 178.091 176.300 -0.326 0.000 1.137 351 R CA 2.201 57.774 56.100 -0.877 0.000 0.945 351 R CB -0.757 29.116 30.300 -0.712 0.000 0.845 351 R HN 0.665 nan 8.270 nan 0.000 0.430 352 C N -2.940 116.299 119.300 -0.101 0.000 4.403 352 C HA 0.333 4.793 4.460 -0.000 0.000 0.408 352 C C 1.913 177.048 174.990 0.243 0.000 1.714 352 C CA -0.848 58.142 59.018 -0.047 0.000 2.002 352 C CB -0.629 27.017 27.740 -0.157 0.000 3.129 352 C HN 0.341 nan 8.230 nan 0.000 0.662 353 L N 1.226 122.580 121.223 0.218 0.000 1.994 353 L HA 0.098 4.438 4.340 -0.000 0.000 0.208 353 L C 2.188 179.147 176.870 0.148 0.000 1.071 353 L CA 2.352 57.309 54.840 0.196 0.000 0.745 353 L CB -1.223 40.922 42.059 0.144 0.000 0.892 353 L HN 0.369 nan 8.230 nan 0.000 0.431 354 F N 0.517 120.568 119.950 0.168 0.000 2.186 354 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 354 F C -0.267 175.630 175.800 0.162 0.000 1.090 354 F CA 1.238 59.322 58.000 0.138 0.000 1.307 354 F CB -1.782 37.249 39.000 0.052 0.000 1.019 354 F HN 0.199 nan 8.300 nan 0.000 0.489 355 P HA -0.201 nan 4.420 nan 0.000 0.216 355 P C 1.886 179.496 177.300 0.517 0.000 1.150 355 P CA 1.155 64.448 63.100 0.322 0.000 0.837 355 P CB -0.032 31.762 31.700 0.157 0.000 0.786 356 L N -0.958 120.586 121.223 0.535 0.000 2.046 356 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 356 L C 2.094 179.162 176.870 0.330 0.000 1.077 356 L CA 1.748 56.790 54.840 0.338 0.000 0.747 356 L CB -1.268 40.857 42.059 0.111 0.000 0.896 356 L HN -0.129 nan 8.230 nan 0.000 0.432 357 L N -0.565 120.852 121.223 0.323 0.000 2.046 357 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 357 L C 2.149 179.208 176.870 0.315 0.000 1.077 357 L CA 1.912 56.962 54.840 0.349 0.000 0.747 357 L CB -0.945 41.222 42.059 0.180 0.000 0.896 357 L HN 0.392 nan 8.230 nan 0.000 0.432 358 N N -0.208 118.672 118.700 0.300 0.000 2.289 358 N HA -0.190 4.550 4.740 -0.000 0.000 0.184 358 N C 1.688 177.470 175.510 0.453 0.000 1.016 358 N CA 0.640 53.862 53.050 0.287 0.000 0.872 358 N CB 0.011 38.602 38.487 0.174 0.000 0.973 358 N HN 0.162 nan 8.380 nan 0.000 0.433 359 L N -0.021 121.497 121.223 0.492 0.000 2.071 359 L HA 0.097 4.437 4.340 -0.000 0.000 0.201 359 L C 1.628 178.767 176.870 0.448 0.000 1.076 359 L CA 1.542 56.714 54.840 0.553 0.000 0.755 359 L CB -0.089 42.255 42.059 0.475 0.000 0.915 359 L HN 0.107 nan 8.230 nan 0.000 0.445 360 M N -1.814 117.874 119.600 0.147 0.000 2.516 360 M HA 0.157 4.637 4.480 -0.000 0.000 0.259 360 M C -0.118 175.829 176.300 -0.588 0.000 1.146 360 M CA 0.653 55.770 55.300 -0.305 0.000 1.122 360 M CB -0.255 31.913 32.600 -0.721 0.000 1.341 360 M HN 0.165 nan 8.290 nan 0.000 0.478 361 Y N -0.523 119.903 120.300 0.211 0.000 2.501 361 Y HA 0.323 4.873 4.550 -0.000 0.000 0.331 361 Y C -1.811 174.139 175.900 0.083 0.000 0.950 361 Y CA -1.935 56.253 58.100 0.146 0.000 1.120 361 Y CB -0.203 38.368 38.460 0.185 0.000 1.154 361 Y HN 0.048 nan 8.280 nan 0.000 0.630 362 P HA -0.171 nan 4.420 nan 0.000 0.217 362 P C 1.783 179.118 177.300 0.059 0.000 1.151 362 P CA 1.916 65.105 63.100 0.149 0.000 0.828 362 P CB 0.229 32.049 31.700 0.199 0.000 0.788 363 S N -0.738 114.996 115.700 0.056 0.000 2.400 363 S HA -0.117 4.353 4.470 -0.000 0.000 0.232 363 S C 1.977 176.532 174.600 -0.075 0.000 1.025 363 S CA 1.455 59.658 58.200 0.005 0.000 0.993 363 S CB -1.719 61.502 63.200 0.035 0.000 0.808 363 S HN -0.019 nan 8.310 nan 0.000 0.478 364 V N 2.539 122.388 119.914 -0.108 0.000 2.346 364 V HA -0.062 4.058 4.120 -0.000 0.000 0.244 364 V C 2.755 178.614 176.094 -0.392 0.000 1.037 364 V CA 1.863 63.963 62.300 -0.335 0.000 1.029 364 V CB -1.182 30.237 31.823 -0.673 0.000 0.663 364 V HN 0.511 nan 8.190 nan 0.000 0.454 365 N N 0.596 119.156 118.700 -0.234 0.000 2.289 365 N HA -0.202 4.538 4.740 -0.000 0.000 0.184 365 N C 1.686 177.089 175.510 -0.179 0.000 1.016 365 N CA 1.377 54.323 53.050 -0.173 0.000 0.872 365 N CB -0.242 38.255 38.487 0.016 0.000 0.973 365 N HN 0.412 nan 8.380 nan 0.000 0.433 366 K N 1.261 121.573 120.400 -0.147 0.000 2.020 366 K HA -0.141 4.179 4.320 -0.000 0.000 0.212 366 K C 1.665 178.133 176.600 -0.220 0.000 1.050 366 K CA 1.718 57.927 56.287 -0.130 0.000 0.929 366 K CB -0.342 32.104 32.500 -0.090 0.000 0.714 366 K HN 0.312 nan 8.250 nan 0.000 0.443 367 E N -0.179 119.793 120.200 -0.381 0.000 2.058 367 E HA -0.220 4.129 4.350 -0.000 0.000 0.194 367 E C 2.148 178.517 176.600 -0.386 0.000 0.997 367 E CA 1.911 57.942 56.400 -0.615 0.000 0.801 367 E CB -0.210 29.102 29.700 -0.648 0.000 0.746 367 E HN 0.385 nan 8.360 nan 0.000 0.450 368 M N 0.551 119.763 119.600 -0.646 0.000 2.108 368 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 368 M C 2.300 178.514 176.300 -0.143 0.000 1.066 368 M CA 1.300 56.212 55.300 -0.647 0.000 1.107 368 M CB -0.150 32.075 32.600 -0.625 0.000 1.356 368 M HN 0.024 nan 8.290 nan 0.000 0.406 369 Q N 0.253 119.985 119.800 -0.113 0.000 2.119 369 Q HA -0.125 4.215 4.340 -0.000 0.000 0.201 369 Q C 1.930 177.960 176.000 0.050 0.000 0.972 369 Q CA 1.141 56.921 55.803 -0.038 0.000 0.847 369 Q CB -0.473 28.232 28.738 -0.056 0.000 0.903 369 Q HN 0.519 nan 8.270 nan 0.000 0.433 370 E N 0.374 120.614 120.200 0.068 0.000 2.085 370 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 370 E C 2.074 178.805 176.600 0.218 0.000 0.994 370 E CA 1.256 57.757 56.400 0.169 0.000 0.801 370 E CB -0.543 29.320 29.700 0.271 0.000 0.743 370 E HN 0.493 nan 8.360 nan 0.000 0.453 371 G N 1.559 110.507 108.800 0.247 0.000 2.476 371 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 371 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 371 G C 1.750 176.791 174.900 0.234 0.000 1.164 371 G CA 0.935 46.211 45.100 0.292 0.000 0.768 371 G HN 0.199 nan 8.290 nan 0.000 0.560 372 L N 0.228 121.588 121.223 0.228 0.000 2.056 372 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 372 L C 2.849 179.972 176.870 0.422 0.000 1.078 372 L CA 0.256 55.281 54.840 0.308 0.000 0.749 372 L CB -0.454 41.723 42.059 0.196 0.000 0.901 372 L HN 0.107 nan 8.230 nan 0.000 0.433 373 I N 0.660 121.431 120.570 0.337 0.000 2.118 373 I HA -0.332 3.838 4.170 -0.000 0.000 0.241 373 I C 2.125 178.351 176.117 0.181 0.000 1.070 373 I CA 1.873 63.346 61.300 0.288 0.000 1.327 373 I CB -1.441 36.681 38.000 0.203 0.000 1.034 373 I HN 0.387 nan 8.210 nan 0.000 0.405 374 N N -0.064 118.730 118.700 0.156 0.000 2.104 374 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 374 N C 1.665 177.187 175.510 0.021 0.000 1.024 374 N CA 1.905 55.022 53.050 0.112 0.000 0.853 374 N CB -0.192 38.390 38.487 0.158 0.000 1.008 374 N HN 0.358 nan 8.380 nan 0.000 0.424 375 T N 0.040 114.590 114.554 -0.007 0.000 2.699 375 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 375 T C 1.583 176.124 174.700 -0.265 0.000 1.036 375 T CA 1.219 63.150 62.100 -0.281 0.000 1.147 375 T CB -0.482 68.248 68.868 -0.230 0.000 0.862 375 T HN 0.340 nan 8.240 nan 0.000 0.446 376 Y N 1.575 121.704 120.300 -0.284 0.000 2.163 376 Y HA 0.002 4.552 4.550 -0.000 0.000 0.288 376 Y C 2.031 177.742 175.900 -0.315 0.000 1.136 376 Y CA 0.942 58.765 58.100 -0.461 0.000 1.147 376 Y CB -0.534 37.374 38.460 -0.920 0.000 0.987 376 Y HN 0.124 nan 8.280 nan 0.000 0.509 377 L N -0.123 120.946 121.223 -0.256 0.000 2.131 377 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 377 L C 2.011 178.739 176.870 -0.236 0.000 1.092 377 L CA 1.825 56.511 54.840 -0.256 0.000 0.759 377 L CB -0.413 41.603 42.059 -0.071 0.000 0.903 377 L HN 0.297 nan 8.230 nan 0.000 0.435 378 E N -1.121 118.974 120.200 -0.175 0.000 2.400 378 E HA -0.068 4.282 4.350 -0.000 0.000 0.195 378 E C 1.840 178.385 176.600 -0.092 0.000 1.012 378 E CA 0.962 57.306 56.400 -0.093 0.000 0.875 378 E CB 0.311 30.019 29.700 0.013 0.000 0.859 378 E HN 0.423 nan 8.360 nan 0.000 0.498 379 S N -1.885 113.712 115.700 -0.171 0.000 2.649 379 S HA 0.278 4.748 4.470 -0.000 0.000 0.246 379 S C 1.555 176.146 174.600 -0.016 0.000 1.057 379 S CA 0.344 58.550 58.200 0.010 0.000 1.051 379 S CB 0.978 64.239 63.200 0.101 0.000 1.018 379 S HN 0.266 nan 8.310 nan 0.000 0.569 380 G N 0.524 109.085 108.800 -0.398 0.000 2.184 380 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.264 380 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.264 380 G C -0.115 174.373 174.900 -0.687 0.000 0.975 380 G CA 0.591 45.243 45.100 -0.747 0.000 0.642 380 G HN 0.557 nan 8.290 nan 0.000 0.536 381 F N -0.992 118.903 119.950 -0.092 0.000 2.599 381 F HA 0.756 5.282 4.527 -0.000 0.000 0.311 381 F C 0.234 176.131 175.800 0.162 0.000 1.076 381 F CA -1.454 56.638 58.000 0.155 0.000 0.937 381 F CB 1.107 40.157 39.000 0.082 0.000 1.282 381 F HN -0.072 nan 8.300 nan 0.000 0.460 382 F N 3.279 123.516 119.950 0.478 0.000 2.450 382 F HA 0.319 4.846 4.527 -0.000 0.000 0.339 382 F C -1.787 174.242 175.800 0.383 0.000 1.146 382 F CA -1.957 56.239 58.000 0.326 0.000 1.267 382 F CB -0.062 39.046 39.000 0.180 0.000 1.178 382 F HN 0.107 nan 8.300 nan 0.000 0.585 383 P HA 0.172 nan 4.420 nan 0.000 0.276 383 P C -0.485 177.025 177.300 0.350 0.000 1.252 383 P CA -0.149 63.257 63.100 0.510 0.000 0.802 383 P CB 1.830 33.723 31.700 0.321 0.000 1.035 384 E N 0.147 120.476 120.200 0.215 0.000 2.538 384 E HA 0.109 4.459 4.350 -0.000 0.000 0.188 384 E C -0.250 176.297 176.600 -0.089 0.000 1.014 384 E CA 0.668 57.170 56.400 0.170 0.000 1.140 384 E CB -0.266 29.590 29.700 0.260 0.000 1.262 384 E HN 0.477 nan 8.360 nan 0.000 0.488 385 W N 0.913 122.220 121.300 0.012 0.000 2.429 385 W HA 0.577 5.237 4.660 -0.000 0.000 0.314 385 W C -0.692 175.819 176.519 -0.013 0.000 1.062 385 W CA -0.306 57.028 57.345 -0.019 0.000 1.211 385 W CB 1.446 30.924 29.460 0.031 0.000 1.305 385 W HN 0.047 nan 8.180 nan 0.000 0.476 386 A N 3.154 126.185 122.820 0.351 0.000 2.374 386 A HA 0.711 5.031 4.320 -0.000 0.000 0.305 386 A C -0.874 176.841 177.584 0.218 0.000 1.053 386 A CA -0.554 51.598 52.037 0.190 0.000 0.726 386 A CB 1.897 20.936 19.000 0.065 0.000 1.229 386 A HN 0.356 nan 8.150 nan 0.000 0.431 387 S N 3.510 119.210 115.700 0.000 0.000 2.465 387 S HA 0.425 4.895 4.470 -0.000 0.000 0.186 387 S C -2.625 171.728 174.600 -0.413 0.000 0.839 387 S CA -0.375 57.787 58.200 -0.062 0.000 1.037 387 S CB 1.134 64.438 63.200 0.173 0.000 1.407 387 S HN 0.478 nan 8.310 nan 0.000 0.396 388 P HA 0.255 nan 4.420 nan 0.000 0.239 388 P C 0.964 177.751 177.300 -0.856 0.000 1.188 388 P CA 0.350 62.924 63.100 -0.877 0.000 0.794 388 P CB 0.133 31.060 31.700 -1.288 0.000 0.937 389 G N -0.492 107.836 108.800 -0.787 0.000 2.583 389 G HA2 0.206 4.166 3.960 -0.000 0.000 0.280 389 G HA3 0.206 4.166 3.960 -0.000 0.000 0.280 389 G C -0.607 174.020 174.900 -0.456 0.000 1.376 389 G CA -0.388 44.136 45.100 -0.961 0.000 1.043 389 G HN 0.069 nan 8.290 nan 0.000 0.538 390 H N 0.954 119.950 119.070 -0.123 0.000 3.046 390 H HA 0.217 4.773 4.556 -0.000 0.000 0.303 390 H C 0.335 175.597 175.328 -0.111 0.000 1.002 390 H CA 0.465 56.495 56.048 -0.029 0.000 1.460 390 H CB 0.475 30.162 29.762 -0.126 0.000 1.493 390 H HN 0.112 nan 8.280 nan 0.000 0.559 391 R N 1.502 122.056 120.500 0.089 0.000 2.740 391 R HA 0.345 4.685 4.340 -0.000 0.000 0.282 391 R C 0.328 176.630 176.300 0.003 0.000 0.969 391 R CA -1.001 55.098 56.100 -0.003 0.000 0.918 391 R CB 2.012 32.285 30.300 -0.046 0.000 1.175 391 R HN 0.762 nan 8.270 nan 0.000 0.464 392 G N 0.550 109.320 108.800 -0.050 0.000 2.391 392 G HA2 0.403 4.363 3.960 -0.000 0.000 0.305 392 G HA3 0.403 4.363 3.960 -0.000 0.000 0.305 392 G C -0.592 174.266 174.900 -0.071 0.000 1.072 392 G CA -0.089 44.987 45.100 -0.040 0.000 1.016 392 G HN 0.493 nan 8.290 nan 0.000 0.418 393 C N 5.147 124.427 119.300 -0.034 0.000 3.218 393 C HA 0.579 5.039 4.460 -0.000 0.000 0.420 393 C C -0.189 174.826 174.990 0.042 0.000 0.987 393 C CA -0.620 58.342 59.018 -0.094 0.000 1.196 393 C CB 0.335 27.838 27.740 -0.395 0.000 1.576 393 C HN 1.057 nan 8.230 nan 0.000 0.594 394 M N 2.880 122.431 119.600 -0.082 0.000 7.319 394 M HA -0.140 4.340 4.480 -0.000 0.000 0.207 394 M C -0.013 176.229 176.300 -0.098 0.000 0.480 394 M CA 1.765 56.924 55.300 -0.235 0.000 1.311 394 M CB -2.127 30.338 32.600 -0.225 0.000 0.421 394 M HN 1.788 nan 8.290 nan 0.000 0.243 395 V N -3.295 116.556 119.914 -0.104 0.000 3.165 395 V HA 1.048 5.168 4.120 -0.000 0.000 0.309 395 V C 0.281 176.560 176.094 0.309 0.000 1.267 395 V CA 0.639 62.994 62.300 0.091 0.000 1.067 395 V CB 1.178 33.015 31.823 0.023 0.000 1.082 395 V HN 2.679 nan 8.190 nan 0.000 0.451 396 G N 0.614 109.551 108.800 0.228 0.000 2.710 396 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.668 396 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.668 396 G C -0.414 174.712 174.900 0.377 0.000 1.320 396 G CA 0.144 45.409 45.100 0.275 0.000 0.860 396 G HN 1.750 nan 8.290 nan 0.000 0.538 397 N N -0.271 118.633 118.700 0.339 0.000 2.599 397 N HA 0.163 4.903 4.740 -0.000 0.000 0.309 397 N C 1.010 176.551 175.510 0.051 0.000 1.743 397 N CA 0.088 53.268 53.050 0.216 0.000 0.918 397 N CB -0.073 38.504 38.487 0.149 0.000 1.339 397 N HN 0.491 nan 8.380 nan 0.000 0.493 398 N N -0.546 118.187 118.700 0.056 0.000 2.512 398 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 398 N C 1.847 177.198 175.510 -0.265 0.000 1.073 398 N CA 0.660 53.600 53.050 -0.183 0.000 0.911 398 N CB 0.257 38.645 38.487 -0.166 0.000 0.964 398 N HN 0.314 nan 8.380 nan 0.000 0.447 399 S N 0.572 116.209 115.700 -0.106 0.000 2.407 399 S HA -0.243 4.227 4.470 -0.000 0.000 0.235 399 S C 2.092 176.371 174.600 -0.535 0.000 1.036 399 S CA 1.040 59.013 58.200 -0.379 0.000 1.013 399 S CB -0.492 62.702 63.200 -0.010 0.000 0.820 399 S HN 0.389 nan 8.310 nan 0.000 0.476 400 A N 1.576 124.153 122.820 -0.405 0.000 1.902 400 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 400 A C 2.461 179.752 177.584 -0.488 0.000 1.181 400 A CA 1.883 53.652 52.037 -0.447 0.000 0.623 400 A CB -1.448 17.325 19.000 -0.379 0.000 0.818 400 A HN 0.585 nan 8.150 nan 0.000 0.443 401 S N -0.325 115.064 115.700 -0.518 0.000 2.353 401 S HA -0.164 4.306 4.470 -0.000 0.000 0.222 401 S C 1.957 176.334 174.600 -0.371 0.000 1.035 401 S CA 1.611 59.547 58.200 -0.440 0.000 1.025 401 S CB -0.483 62.450 63.200 -0.445 0.000 0.902 401 S HN 0.383 nan 8.310 nan 0.000 0.440 402 I N 1.645 121.899 120.570 -0.526 0.000 2.118 402 I HA -0.199 3.971 4.170 -0.000 0.000 0.241 402 I C 2.414 178.212 176.117 -0.533 0.000 1.070 402 I CA 1.503 62.398 61.300 -0.676 0.000 1.327 402 I CB -1.600 35.615 38.000 -1.307 0.000 1.034 402 I HN 0.364 nan 8.210 nan 0.000 0.405 403 L N -0.220 120.664 121.223 -0.564 0.000 2.027 403 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 403 L C 2.616 179.305 176.870 -0.302 0.000 1.074 403 L CA 0.868 55.432 54.840 -0.461 0.000 0.745 403 L CB -0.566 41.134 42.059 -0.599 0.000 0.898 403 L HN 0.022 nan 8.230 nan 0.000 0.433 404 V N -0.439 119.284 119.914 -0.319 0.000 2.453 404 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 404 V C 2.092 178.084 176.094 -0.169 0.000 1.048 404 V CA 1.854 64.004 62.300 -0.249 0.000 1.049 404 V CB -0.388 31.237 31.823 -0.331 0.000 0.672 404 V HN 0.451 nan 8.190 nan 0.000 0.457 405 D N 0.416 120.712 120.400 -0.174 0.000 2.149 405 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 405 D C 2.105 178.336 176.300 -0.115 0.000 0.990 405 D CA 1.568 55.493 54.000 -0.124 0.000 0.839 405 D CB -0.064 40.685 40.800 -0.084 0.000 0.948 405 D HN 0.378 nan 8.370 nan 0.000 0.460 406 A N -0.634 122.123 122.820 -0.104 0.000 1.841 406 A HA -0.163 4.157 4.320 -0.000 0.000 0.214 406 A C 2.245 179.792 177.584 -0.062 0.000 1.195 406 A CA 1.505 53.500 52.037 -0.070 0.000 0.611 406 A CB -1.453 17.506 19.000 -0.070 0.000 0.835 406 A HN 0.462 nan 8.150 nan 0.000 0.443 407 Y N 0.062 120.270 120.300 -0.154 0.000 2.114 407 Y HA -0.262 4.288 4.550 -0.000 0.000 0.282 407 Y C 2.328 178.144 175.900 -0.140 0.000 1.165 407 Y CA 2.336 60.353 58.100 -0.138 0.000 1.148 407 Y CB -0.152 38.215 38.460 -0.154 0.000 0.972 407 Y HN 0.221 nan 8.280 nan 0.000 0.504 408 M N -0.165 119.445 119.600 0.018 0.000 2.460 408 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 408 M C 1.344 177.538 176.300 -0.176 0.000 1.071 408 M CA 1.481 56.738 55.300 -0.071 0.000 1.096 408 M CB -0.726 31.813 32.600 -0.101 0.000 1.408 408 M HN 0.196 nan 8.290 nan 0.000 0.463 409 K N -0.426 119.844 120.400 -0.217 0.000 2.410 409 K HA 0.300 4.620 4.320 -0.000 0.000 0.200 409 K C 0.848 177.351 176.600 -0.163 0.000 1.023 409 K CA 0.354 56.450 56.287 -0.317 0.000 1.149 409 K CB 0.278 32.483 32.500 -0.490 0.000 0.859 409 K HN 0.463 nan 8.250 nan 0.000 0.514 410 G N 0.626 109.322 108.800 -0.173 0.000 2.159 410 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.227 410 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.227 410 G C -0.029 174.799 174.900 -0.121 0.000 0.986 410 G CA -0.251 44.765 45.100 -0.140 0.000 0.651 410 G HN 0.117 nan 8.290 nan 0.000 0.523 411 V N 1.745 121.587 119.914 -0.120 0.000 2.270 411 V HA 0.401 4.521 4.120 -0.000 0.000 0.263 411 V C 0.395 176.422 176.094 -0.112 0.000 1.066 411 V CA -0.199 62.055 62.300 -0.075 0.000 0.857 411 V CB 0.823 32.632 31.823 -0.025 0.000 1.099 411 V HN 0.305 nan 8.190 nan 0.000 0.476 412 K N 3.470 123.787 120.400 -0.139 0.000 2.235 412 K HA 0.590 4.910 4.320 -0.000 0.000 0.266 412 K C -0.099 176.504 176.600 0.005 0.000 0.980 412 K CA -0.645 55.562 56.287 -0.134 0.000 0.849 412 K CB 2.349 34.664 32.500 -0.308 0.000 1.098 412 K HN 0.529 nan 8.250 nan 0.000 0.445 413 V N -0.496 119.471 119.914 0.088 0.000 3.185 413 V HA 0.051 4.171 4.120 -0.000 0.000 0.305 413 V C 0.571 176.719 176.094 0.089 0.000 1.090 413 V CA -0.066 62.285 62.300 0.085 0.000 1.107 413 V CB 0.752 32.632 31.823 0.095 0.000 1.061 413 V HN 0.665 nan 8.190 nan 0.000 0.480 414 D N 0.171 120.619 120.400 0.080 0.000 2.162 414 D HA -0.020 4.620 4.640 -0.000 0.000 0.203 414 D C 0.755 177.095 176.300 0.067 0.000 0.967 414 D CA 1.563 55.603 54.000 0.068 0.000 0.840 414 D CB -0.090 40.748 40.800 0.064 0.000 0.972 414 D HN 0.827 nan 8.370 nan 0.000 0.482 415 D N 1.004 121.446 120.400 0.071 0.000 2.638 415 D HA 0.014 4.654 4.640 -0.000 0.000 0.245 415 D C 1.318 177.650 176.300 0.054 0.000 1.176 415 D CA -0.258 53.777 54.000 0.058 0.000 0.996 415 D CB -0.239 40.597 40.800 0.060 0.000 1.012 415 D HN 0.070 nan 8.370 nan 0.000 0.515 416 I N 1.206 121.806 120.570 0.051 0.000 2.756 416 I HA -0.148 4.022 4.170 -0.000 0.000 0.262 416 I C 1.563 177.660 176.117 -0.033 0.000 1.225 416 I CA 0.996 62.303 61.300 0.011 0.000 1.472 416 I CB 0.149 38.170 38.000 0.035 0.000 1.094 416 I HN 0.148 nan 8.210 nan 0.000 0.454 417 K N 0.690 121.083 120.400 -0.012 0.000 2.076 417 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 417 K C 1.830 178.438 176.600 0.013 0.000 1.051 417 K CA 1.803 58.083 56.287 -0.012 0.000 0.949 417 K CB -0.109 32.383 32.500 -0.012 0.000 0.726 417 K HN 0.252 nan 8.250 nan 0.000 0.443 418 T N 2.718 117.283 114.554 0.019 0.000 2.867 418 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 418 T C 1.603 176.287 174.700 -0.028 0.000 1.057 418 T CA 1.055 63.163 62.100 0.014 0.000 1.136 418 T CB -0.195 68.708 68.868 0.059 0.000 0.874 418 T HN 0.177 nan 8.240 nan 0.000 0.466 419 L N 0.801 122.042 121.223 0.030 0.000 1.970 419 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 419 L C 2.051 178.914 176.870 -0.011 0.000 1.071 419 L CA 1.903 56.780 54.840 0.062 0.000 0.751 419 L CB -1.641 40.418 42.059 -0.001 0.000 0.889 419 L HN 0.283 nan 8.230 nan 0.000 0.432 420 Y N 1.045 121.240 120.300 -0.175 0.000 2.128 420 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 420 Y C 2.592 178.382 175.900 -0.184 0.000 1.154 420 Y CA 2.368 60.340 58.100 -0.214 0.000 1.149 420 Y CB -0.171 38.154 38.460 -0.226 0.000 0.976 420 Y HN 0.439 nan 8.280 nan 0.000 0.505 421 E N -0.798 119.366 120.200 -0.061 0.000 2.118 421 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 421 E C 2.391 178.793 176.600 -0.329 0.000 0.992 421 E CA 0.965 57.282 56.400 -0.138 0.000 0.804 421 E CB -0.551 29.118 29.700 -0.052 0.000 0.741 421 E HN 0.656 nan 8.360 nan 0.000 0.458 422 G N 1.244 109.683 108.800 -0.601 0.000 2.418 422 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 422 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 422 G C 1.582 176.293 174.900 -0.315 0.000 1.158 422 G CA 0.421 44.825 45.100 -1.159 0.000 0.771 422 G HN 0.070 nan 8.290 nan 0.000 0.545 423 L N 0.384 121.524 121.223 -0.138 0.000 1.976 423 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 423 L C 2.869 179.573 176.870 -0.276 0.000 1.071 423 L CA 0.644 55.359 54.840 -0.209 0.000 0.746 423 L CB -0.451 41.350 42.059 -0.429 0.000 0.890 423 L HN 0.097 nan 8.230 nan 0.000 0.432 424 I N -0.480 119.846 120.570 -0.406 0.000 2.151 424 I HA -0.386 3.784 4.170 -0.000 0.000 0.243 424 I C 2.584 178.614 176.117 -0.144 0.000 1.080 424 I CA 1.758 62.903 61.300 -0.258 0.000 1.339 424 I CB -1.698 36.155 38.000 -0.245 0.000 1.039 424 I HN 0.470 nan 8.210 nan 0.000 0.409 425 H N 1.303 120.238 119.070 -0.225 0.000 2.319 425 H HA -0.181 4.375 4.556 -0.000 0.000 0.297 425 H C 2.176 177.389 175.328 -0.192 0.000 1.097 425 H CA 2.113 58.036 56.048 -0.208 0.000 1.285 425 H CB -0.180 29.460 29.762 -0.203 0.000 1.368 425 H HN 0.342 nan 8.280 nan 0.000 0.495 426 G N -0.423 108.327 108.800 -0.084 0.000 2.448 426 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 426 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 426 G C 1.821 176.633 174.900 -0.146 0.000 1.127 426 G CA 1.422 46.515 45.100 -0.012 0.000 0.766 426 G HN 0.624 nan 8.290 nan 0.000 0.552 427 T N -0.950 113.495 114.554 -0.182 0.000 3.118 427 T HA 0.093 4.443 4.350 -0.000 0.000 0.260 427 T C 1.202 175.697 174.700 -0.343 0.000 1.139 427 T CA 1.212 63.200 62.100 -0.186 0.000 1.085 427 T CB -0.104 68.764 68.868 0.000 0.000 0.934 427 T HN 0.604 nan 8.240 nan 0.000 0.518 428 E N 0.221 120.084 120.200 -0.561 0.000 3.254 428 E HA 0.333 4.683 4.350 -0.000 0.000 0.184 428 E C -0.744 175.064 176.600 -1.320 0.000 0.967 428 E CA -0.857 54.921 56.400 -1.037 0.000 1.311 428 E CB 0.224 29.605 29.700 -0.531 0.000 1.071 428 E HN 0.221 nan 8.360 nan 0.000 0.456 429 N N 0.622 118.756 118.700 -0.944 0.000 2.504 429 N HA 0.281 5.021 4.740 -0.000 0.000 0.268 429 N C -2.024 173.533 175.510 0.079 0.000 1.184 429 N CA -0.495 52.328 53.050 -0.379 0.000 0.875 429 N CB 2.802 41.024 38.487 -0.441 0.000 1.630 429 N HN 0.041 nan 8.380 nan 0.000 0.486 430 V N 1.133 121.194 119.914 0.245 0.000 2.735 430 V HA 0.323 4.442 4.120 -0.000 0.000 0.310 430 V C -0.533 175.568 176.094 0.011 0.000 1.061 430 V CA -0.529 61.857 62.300 0.143 0.000 0.913 430 V CB 1.694 33.629 31.823 0.185 0.000 1.005 430 V HN 0.824 nan 8.190 nan 0.000 0.428 431 H N 8.087 126.845 119.070 -0.519 0.000 2.848 431 H HA 0.293 4.848 4.556 -0.000 0.000 0.341 431 H C -1.571 173.664 175.328 -0.154 0.000 1.060 431 H CA -0.536 55.168 56.048 -0.573 0.000 1.444 431 H CB 1.655 30.921 29.762 -0.828 0.000 1.446 431 H HN 0.497 nan 8.280 nan 0.000 0.583 432 P HA -0.141 nan 4.420 nan 0.000 0.223 432 P C 0.138 177.485 177.300 0.079 0.000 1.151 432 P CA 1.187 64.258 63.100 -0.049 0.000 0.787 432 P CB 0.479 32.117 31.700 -0.104 0.000 0.788 433 E N -1.084 119.285 120.200 0.281 0.000 2.572 433 E HA 0.152 4.502 4.350 -0.000 0.000 0.220 433 E C -0.054 176.630 176.600 0.140 0.000 0.945 433 E CA 0.079 56.598 56.400 0.198 0.000 1.070 433 E CB 0.623 30.421 29.700 0.163 0.000 1.090 433 E HN 0.028 nan 8.360 nan 0.000 0.506 434 V N 3.091 123.097 119.914 0.153 0.000 2.325 434 V HA 0.111 4.231 4.120 -0.000 0.000 0.280 434 V C 1.092 177.152 176.094 -0.056 0.000 1.016 434 V CA -0.029 62.223 62.300 -0.080 0.000 0.818 434 V CB 1.231 32.846 31.823 -0.346 0.000 1.019 434 V HN 0.238 nan 8.190 nan 0.000 0.434 435 S N 1.941 117.636 115.700 -0.009 0.000 2.522 435 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 435 S C 1.665 176.281 174.600 0.026 0.000 0.986 435 S CA 0.788 58.997 58.200 0.015 0.000 0.929 435 S CB -0.095 63.123 63.200 0.030 0.000 0.769 435 S HN 0.841 nan 8.310 nan 0.000 0.529 436 S N 0.258 115.968 115.700 0.017 0.000 2.593 436 S HA 0.163 4.633 4.470 -0.000 0.000 0.217 436 S C 0.388 175.019 174.600 0.052 0.000 0.966 436 S CA -0.346 57.893 58.200 0.064 0.000 0.914 436 S CB -0.388 62.867 63.200 0.091 0.000 0.776 436 S HN 0.372 nan 8.310 nan 0.000 0.523 437 T N 2.533 117.042 114.554 -0.074 0.000 2.771 437 T HA 0.659 5.009 4.350 -0.000 0.000 0.281 437 T C 0.631 175.180 174.700 -0.250 0.000 0.982 437 T CA 0.266 62.245 62.100 -0.203 0.000 0.978 437 T CB 0.922 69.463 68.868 -0.544 0.000 0.930 437 T HN 0.764 nan 8.240 nan 0.000 0.447 438 G N 3.311 112.097 108.800 -0.024 0.000 2.642 438 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.231 438 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.231 438 G C -0.811 174.155 174.900 0.110 0.000 1.338 438 G CA -0.829 44.351 45.100 0.135 0.000 0.883 438 G HN 0.785 nan 8.290 nan 0.000 0.570 439 R N -0.353 120.198 120.500 0.084 0.000 2.310 439 R HA 0.431 4.771 4.340 -0.000 0.000 0.316 439 R C -0.025 176.407 176.300 0.221 0.000 1.004 439 R CA -0.835 55.307 56.100 0.070 0.000 0.900 439 R CB 1.296 31.372 30.300 -0.375 0.000 1.152 439 R HN 0.546 nan 8.270 nan 0.000 0.513 440 L N 2.063 123.441 121.223 0.259 0.000 2.499 440 L HA 0.175 4.515 4.340 -0.000 0.000 0.273 440 L C 1.160 178.182 176.870 0.254 0.000 1.195 440 L CA 1.614 56.584 54.840 0.216 0.000 0.882 440 L CB 0.614 42.765 42.059 0.154 0.000 1.133 440 L HN 0.929 nan 8.230 nan 0.000 0.483 441 G N 3.425 112.325 108.800 0.168 0.000 2.143 441 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.249 441 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.249 441 G C 0.575 175.575 174.900 0.167 0.000 0.981 441 G CA 0.801 46.017 45.100 0.193 0.000 0.665 441 G HN 1.146 nan 8.290 nan 0.000 0.528 442 Y N 0.300 120.647 120.300 0.078 0.000 2.256 442 Y HA 0.040 4.590 4.550 -0.000 0.000 0.288 442 Y C 2.149 178.079 175.900 0.050 0.000 1.155 442 Y CA 1.727 59.838 58.100 0.017 0.000 1.203 442 Y CB -0.509 37.898 38.460 -0.088 0.000 0.980 442 Y HN 0.428 nan 8.280 nan 0.000 0.530 443 E N 0.649 120.372 120.200 -0.794 0.000 2.026 443 E HA -0.269 4.081 4.350 -0.000 0.000 0.206 443 E C 1.816 178.208 176.600 -0.346 0.000 1.028 443 E CA 2.436 58.426 56.400 -0.684 0.000 0.845 443 E CB -0.990 28.199 29.700 -0.853 0.000 0.772 443 E HN 0.655 nan 8.360 nan 0.000 0.462 444 Y N -0.840 119.367 120.300 -0.154 0.000 2.224 444 Y HA -0.215 4.335 4.550 -0.000 0.000 0.289 444 Y C 2.364 178.201 175.900 -0.105 0.000 1.146 444 Y CA 1.439 59.453 58.100 -0.143 0.000 1.182 444 Y CB -0.631 37.736 38.460 -0.154 0.000 0.983 444 Y HN 0.167 nan 8.280 nan 0.000 0.524 445 Y N 1.092 121.424 120.300 0.054 0.000 2.163 445 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 445 Y C 1.881 177.793 175.900 0.021 0.000 1.136 445 Y CA 1.917 60.057 58.100 0.066 0.000 1.147 445 Y CB -0.733 37.828 38.460 0.169 0.000 0.987 445 Y HN 0.153 nan 8.280 nan 0.000 0.509 446 N N -0.172 118.578 118.700 0.084 0.000 2.223 446 N HA -0.179 4.561 4.740 -0.000 0.000 0.185 446 N C 1.824 177.269 175.510 -0.108 0.000 1.016 446 N CA 1.078 54.109 53.050 -0.031 0.000 0.863 446 N CB -0.143 38.383 38.487 0.066 0.000 0.983 446 N HN 0.328 nan 8.380 nan 0.000 0.429 447 K N 1.104 121.444 120.400 -0.100 0.000 1.991 447 K HA 0.009 4.329 4.320 -0.000 0.000 0.207 447 K C 1.666 178.186 176.600 -0.134 0.000 1.045 447 K CA 0.906 57.125 56.287 -0.112 0.000 0.937 447 K CB 0.140 32.568 32.500 -0.120 0.000 0.720 447 K HN 0.097 nan 8.250 nan 0.000 0.438 448 L N -1.559 119.552 121.223 -0.186 0.000 2.463 448 L HA 0.260 4.600 4.340 -0.000 0.000 0.219 448 L C 1.199 177.959 176.870 -0.184 0.000 1.088 448 L CA 0.446 55.145 54.840 -0.236 0.000 0.849 448 L CB 0.580 42.335 42.059 -0.506 0.000 1.012 448 L HN 0.578 nan 8.230 nan 0.000 0.468 449 G N 0.173 108.815 108.800 -0.262 0.000 2.157 449 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.239 449 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.239 449 G C -0.028 174.855 174.900 -0.029 0.000 0.982 449 G CA 0.197 45.153 45.100 -0.241 0.000 0.650 449 G HN 0.457 nan 8.290 nan 0.000 0.527 450 Y N -2.840 117.427 120.300 -0.055 0.000 2.604 450 Y HA 0.610 5.160 4.550 -0.000 0.000 0.331 450 Y C -0.457 175.576 175.900 0.222 0.000 1.158 450 Y CA -1.691 56.505 58.100 0.159 0.000 1.056 450 Y CB 0.761 39.254 38.460 0.055 0.000 1.330 450 Y HN 0.418 nan 8.280 nan 0.000 0.457 451 V N 3.612 123.746 119.914 0.366 0.000 2.427 451 V HA 0.339 4.459 4.120 -0.000 0.000 0.268 451 V C -2.142 174.029 176.094 0.128 0.000 1.046 451 V CA -1.529 60.875 62.300 0.173 0.000 0.970 451 V CB 0.481 32.410 31.823 0.176 0.000 1.001 451 V HN 0.605 nan 8.190 nan 0.000 0.476 452 P HA 0.072 nan 4.420 nan 0.000 0.272 452 P C 0.110 177.405 177.300 -0.008 0.000 1.240 452 P CA -0.075 63.043 63.100 0.029 0.000 0.791 452 P CB 0.567 32.143 31.700 -0.206 0.000 0.978 453 Y N 1.332 121.584 120.300 -0.081 0.000 2.490 453 Y HA -0.014 4.536 4.550 -0.000 0.000 0.285 453 Y C 0.803 176.643 175.900 -0.100 0.000 1.117 453 Y CA 1.022 59.060 58.100 -0.105 0.000 1.262 453 Y CB 0.167 38.572 38.460 -0.091 0.000 1.043 453 Y HN 0.249 nan 8.280 nan 0.000 0.553 454 D N 0.193 120.586 120.400 -0.011 0.000 2.772 454 D HA 0.063 4.703 4.640 -0.000 0.000 0.272 454 D C 0.153 176.383 176.300 -0.117 0.000 1.314 454 D CA 0.277 54.249 54.000 -0.047 0.000 0.835 454 D CB -0.331 40.514 40.800 0.075 0.000 1.080 454 D HN 0.211 nan 8.370 nan 0.000 0.482 455 V N -2.908 116.888 119.914 -0.196 0.000 2.991 455 V HA 0.438 4.558 4.120 -0.000 0.000 0.355 455 V C 0.296 176.304 176.094 -0.142 0.000 1.384 455 V CA -0.831 61.341 62.300 -0.213 0.000 1.171 455 V CB -0.058 31.468 31.823 -0.495 0.000 1.190 455 V HN 0.003 nan 8.190 nan 0.000 0.540 456 K N 0.342 120.664 120.400 -0.130 0.000 3.160 456 K HA -0.158 4.162 4.320 -0.000 0.000 0.280 456 K C -0.282 176.272 176.600 -0.077 0.000 1.154 456 K CA 1.220 57.453 56.287 -0.091 0.000 0.822 456 K CB -2.167 30.305 32.500 -0.048 0.000 1.239 456 K HN 0.800 nan 8.250 nan 0.000 0.489 457 I N 1.568 122.072 120.570 -0.110 0.000 2.428 457 I HA 0.151 4.321 4.170 -0.000 0.000 0.279 457 I C 0.264 176.315 176.117 -0.110 0.000 1.040 457 I CA -0.880 60.375 61.300 -0.075 0.000 1.171 457 I CB 0.930 38.905 38.000 -0.042 0.000 1.312 457 I HN 0.031 nan 8.210 nan 0.000 0.470 458 N N 5.365 124.015 118.700 -0.084 0.000 2.381 458 N HA 0.007 4.747 4.740 -0.000 0.000 0.241 458 N C 0.367 175.798 175.510 -0.132 0.000 1.279 458 N CA 0.460 53.450 53.050 -0.101 0.000 0.896 458 N CB 0.327 38.824 38.487 0.017 0.000 1.118 458 N HN 0.498 nan 8.380 nan 0.000 0.438 459 E N -0.930 119.140 120.200 -0.217 0.000 2.476 459 E HA -0.270 4.080 4.350 -0.000 0.000 0.251 459 E C 0.421 176.884 176.600 -0.227 0.000 1.130 459 E CA 0.349 56.608 56.400 -0.234 0.000 0.736 459 E CB -1.555 28.055 29.700 -0.150 0.000 1.298 459 E HN 0.677 nan 8.360 nan 0.000 0.400 460 N N 0.180 118.743 118.700 -0.229 0.000 2.188 460 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 460 N C 1.843 177.256 175.510 -0.161 0.000 1.018 460 N CA 1.291 54.249 53.050 -0.153 0.000 0.858 460 N CB -0.088 38.334 38.487 -0.108 0.000 0.989 460 N HN 0.276 nan 8.380 nan 0.000 0.426 461 A N 1.379 124.013 122.820 -0.309 0.000 1.929 461 A HA 0.281 4.601 4.320 -0.000 0.000 0.216 461 A C 2.532 179.985 177.584 -0.218 0.000 1.176 461 A CA 1.300 53.163 52.037 -0.290 0.000 0.628 461 A CB -0.695 17.918 19.000 -0.646 0.000 0.816 461 A HN 0.419 nan 8.150 nan 0.000 0.444 462 A N 0.071 122.661 122.820 -0.382 0.000 1.902 462 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 462 A C 2.234 179.722 177.584 -0.161 0.000 1.181 462 A CA 1.547 53.297 52.037 -0.479 0.000 0.623 462 A CB -0.474 18.172 19.000 -0.591 0.000 0.818 462 A HN 0.525 nan 8.150 nan 0.000 0.443 463 R N -1.020 119.334 120.500 -0.243 0.000 2.081 463 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 463 R C 2.273 178.193 176.300 -0.634 0.000 1.131 463 R CA 1.865 57.655 56.100 -0.518 0.000 0.960 463 R CB -0.657 29.357 30.300 -0.477 0.000 0.856 463 R HN 0.539 nan 8.270 nan 0.000 0.436 464 T N 1.389 115.841 114.554 -0.170 0.000 2.737 464 T HA -0.051 4.299 4.350 -0.000 0.000 0.265 464 T C 1.865 176.721 174.700 0.259 0.000 1.038 464 T CA 0.996 63.187 62.100 0.151 0.000 1.144 464 T CB -0.103 68.943 68.868 0.296 0.000 0.866 464 T HN 0.109 nan 8.240 nan 0.000 0.434 465 L N 0.637 122.001 121.223 0.234 0.000 2.046 465 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 465 L C 2.664 179.786 176.870 0.420 0.000 1.077 465 L CA 1.445 56.508 54.840 0.371 0.000 0.747 465 L CB -0.548 41.745 42.059 0.391 0.000 0.896 465 L HN 0.288 nan 8.230 nan 0.000 0.432 466 E N -0.964 119.435 120.200 0.331 0.000 2.152 466 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 466 E C 2.133 178.916 176.600 0.304 0.000 0.983 466 E CA 0.822 57.438 56.400 0.359 0.000 0.818 466 E CB -0.017 29.885 29.700 0.336 0.000 0.758 466 E HN 0.403 nan 8.360 nan 0.000 0.467 467 Y N 0.709 121.093 120.300 0.140 0.000 2.181 467 Y HA -0.143 4.407 4.550 -0.000 0.000 0.288 467 Y C 2.392 178.394 175.900 0.169 0.000 1.146 467 Y CA 0.622 58.709 58.100 -0.022 0.000 1.164 467 Y CB -1.121 37.038 38.460 -0.502 0.000 0.982 467 Y HN 0.033 nan 8.280 nan 0.000 0.515 468 A N -0.260 122.877 122.820 0.528 0.000 1.865 468 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 468 A C 2.187 179.979 177.584 0.347 0.000 1.191 468 A CA 1.997 54.363 52.037 0.549 0.000 0.623 468 A CB -1.526 17.873 19.000 0.664 0.000 0.826 468 A HN 0.525 nan 8.150 nan 0.000 0.444 469 Y N 1.394 121.827 120.300 0.221 0.000 2.145 469 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 469 Y C 1.822 177.714 175.900 -0.012 0.000 1.145 469 Y CA 1.805 59.882 58.100 -0.039 0.000 1.148 469 Y CB -0.461 38.152 38.460 0.255 0.000 0.981 469 Y HN 0.370 nan 8.280 nan 0.000 0.507 470 D N 0.290 120.544 120.400 -0.244 0.000 2.149 470 D HA -0.193 4.447 4.640 -0.000 0.000 0.198 470 D C 1.662 177.830 176.300 -0.220 0.000 0.990 470 D CA 1.718 55.495 54.000 -0.372 0.000 0.839 470 D CB -0.347 40.375 40.800 -0.130 0.000 0.948 470 D HN 0.466 nan 8.370 nan 0.000 0.460 471 D N -0.617 119.790 120.400 0.012 0.000 2.219 471 D HA -0.112 4.528 4.640 -0.000 0.000 0.205 471 D C 1.836 178.197 176.300 0.102 0.000 0.970 471 D CA 0.313 54.420 54.000 0.178 0.000 0.851 471 D CB -0.312 40.714 40.800 0.376 0.000 0.943 471 D HN 0.375 nan 8.370 nan 0.000 0.488 472 W N 1.027 122.178 121.300 -0.248 0.000 2.388 472 W HA -0.201 4.459 4.660 -0.000 0.000 0.294 472 W C 2.153 178.522 176.519 -0.251 0.000 1.212 472 W CA 0.851 57.986 57.345 -0.349 0.000 1.271 472 W CB -0.381 28.693 29.460 -0.643 0.000 1.126 472 W HN -0.075 nan 8.180 nan 0.000 0.535 473 C N 0.640 119.753 119.300 -0.313 0.000 2.413 473 C HA -0.214 4.246 4.460 -0.000 0.000 0.276 473 C C 2.678 177.338 174.990 -0.550 0.000 1.236 473 C CA 1.391 60.086 59.018 -0.539 0.000 1.735 473 C CB -1.485 25.957 27.740 -0.495 0.000 2.031 473 C HN 0.374 nan 8.230 nan 0.000 0.474 474 I N -0.174 120.106 120.570 -0.484 0.000 2.286 474 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 474 I C 2.468 178.274 176.117 -0.519 0.000 1.115 474 I CA 1.814 62.750 61.300 -0.606 0.000 1.392 474 I CB -0.654 36.770 38.000 -0.961 0.000 1.065 474 I HN 0.424 nan 8.210 nan 0.000 0.418 475 Y N 2.052 122.060 120.300 -0.488 0.000 2.128 475 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 475 Y C 2.731 178.378 175.900 -0.421 0.000 1.154 475 Y CA 1.493 59.396 58.100 -0.328 0.000 1.149 475 Y CB -0.217 38.083 38.460 -0.266 0.000 0.976 475 Y HN -0.069 nan 8.280 nan 0.000 0.505 476 R N 0.058 120.126 120.500 -0.720 0.000 2.091 476 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 476 R C 2.222 178.188 176.300 -0.557 0.000 1.136 476 R CA 1.566 57.207 56.100 -0.765 0.000 0.959 476 R CB -1.088 28.671 30.300 -0.902 0.000 0.856 476 R HN 0.431 nan 8.270 nan 0.000 0.437 477 L N 0.665 121.601 121.223 -0.477 0.000 2.072 477 L HA 0.000 4.340 4.340 -0.000 0.000 0.205 477 L C 2.305 178.971 176.870 -0.341 0.000 1.079 477 L CA 1.783 56.395 54.840 -0.380 0.000 0.752 477 L CB -0.782 41.069 42.059 -0.347 0.000 0.906 477 L HN 0.123 nan 8.230 nan 0.000 0.436 478 A N -0.372 122.280 122.820 -0.279 0.000 1.892 478 A HA -0.339 3.981 4.320 -0.000 0.000 0.218 478 A C 2.457 179.844 177.584 -0.328 0.000 1.188 478 A CA 2.361 54.245 52.037 -0.254 0.000 0.631 478 A CB -0.682 18.249 19.000 -0.114 0.000 0.822 478 A HN 0.511 nan 8.150 nan 0.000 0.447 479 K N -0.485 119.661 120.400 -0.424 0.000 2.001 479 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 479 K C 2.088 178.529 176.600 -0.265 0.000 1.048 479 K CA 1.773 57.838 56.287 -0.369 0.000 0.932 479 K CB -0.187 31.998 32.500 -0.524 0.000 0.715 479 K HN 0.408 nan 8.250 nan 0.000 0.437 480 E N 0.521 120.558 120.200 -0.272 0.000 2.085 480 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 480 E C 1.491 177.986 176.600 -0.176 0.000 0.994 480 E CA 1.152 57.444 56.400 -0.180 0.000 0.801 480 E CB -0.156 29.458 29.700 -0.144 0.000 0.743 480 E HN 0.243 nan 8.360 nan 0.000 0.453 481 L N 0.434 121.498 121.223 -0.266 0.000 2.610 481 L HA 0.153 4.493 4.340 -0.000 0.000 0.232 481 L C 0.487 177.210 176.870 -0.245 0.000 1.149 481 L CA 0.652 55.321 54.840 -0.286 0.000 0.872 481 L CB -0.718 41.072 42.059 -0.449 0.000 0.992 481 L HN 0.139 nan 8.230 nan 0.000 0.447 482 K N -0.407 119.870 120.400 -0.206 0.000 3.192 482 K HA -0.178 4.142 4.320 -0.000 0.000 0.278 482 K C 0.175 176.674 176.600 -0.169 0.000 1.164 482 K CA 0.352 56.545 56.287 -0.156 0.000 0.816 482 K CB -0.900 31.529 32.500 -0.118 0.000 1.256 482 K HN 0.092 nan 8.250 nan 0.000 0.497 483 R N -0.126 120.241 120.500 -0.221 0.000 2.726 483 R HA 0.250 4.590 4.340 -0.000 0.000 0.272 483 R C -1.916 174.324 176.300 -0.100 0.000 1.097 483 R CA -1.765 54.212 56.100 -0.206 0.000 1.198 483 R CB -0.542 29.588 30.300 -0.284 0.000 1.114 483 R HN -0.025 nan 8.270 nan 0.000 0.550 484 P HA 0.005 nan 4.420 nan 0.000 0.266 484 P C 0.558 177.863 177.300 0.009 0.000 1.193 484 P CA 0.506 63.595 63.100 -0.018 0.000 0.770 484 P CB 0.359 32.060 31.700 0.002 0.000 0.836 485 K N 2.264 122.673 120.400 0.015 0.000 2.209 485 K HA -0.169 4.151 4.320 -0.000 0.000 0.204 485 K C 2.162 178.798 176.600 0.060 0.000 1.048 485 K CA 2.408 58.717 56.287 0.036 0.000 0.940 485 K CB -1.743 30.775 32.500 0.030 0.000 0.729 485 K HN 0.524 nan 8.250 nan 0.000 0.451 486 K N 1.469 121.898 120.400 0.050 0.000 2.057 486 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 486 K C 2.187 178.836 176.600 0.081 0.000 1.050 486 K CA 1.659 57.977 56.287 0.053 0.000 0.935 486 K CB -0.495 32.025 32.500 0.033 0.000 0.715 486 K HN 0.808 nan 8.250 nan 0.000 0.439 487 E N 0.039 120.307 120.200 0.114 0.000 2.047 487 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 487 E C 2.148 178.930 176.600 0.304 0.000 0.987 487 E CA 1.103 57.631 56.400 0.213 0.000 0.799 487 E CB -0.298 29.560 29.700 0.263 0.000 0.752 487 E HN 0.538 nan 8.360 nan 0.000 0.449 488 I N 1.352 122.053 120.570 0.217 0.000 2.151 488 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 488 I C 2.374 178.703 176.117 0.354 0.000 1.080 488 I CA 1.128 62.576 61.300 0.246 0.000 1.339 488 I CB -0.343 37.722 38.000 0.109 0.000 1.039 488 I HN 0.026 nan 8.210 nan 0.000 0.409 489 S N 0.849 116.688 115.700 0.232 0.000 2.382 489 S HA -0.166 4.304 4.470 -0.000 0.000 0.228 489 S C 1.903 176.587 174.600 0.140 0.000 1.027 489 S CA 1.135 59.450 58.200 0.191 0.000 0.991 489 S CB -0.460 62.807 63.200 0.112 0.000 0.823 489 S HN 0.337 nan 8.310 nan 0.000 0.469 490 L N 0.855 122.125 121.223 0.078 0.000 2.042 490 L HA -0.012 4.328 4.340 -0.000 0.000 0.210 490 L C 1.766 178.544 176.870 -0.154 0.000 1.076 490 L CA 1.845 56.629 54.840 -0.094 0.000 0.749 490 L CB -0.640 41.281 42.059 -0.229 0.000 0.893 490 L HN 0.201 nan 8.230 nan 0.000 0.432 491 F N -0.529 119.504 119.950 0.137 0.000 2.335 491 F HA 0.100 4.627 4.527 -0.000 0.000 0.296 491 F C 2.450 178.340 175.800 0.150 0.000 1.091 491 F CA 0.826 58.910 58.000 0.141 0.000 1.399 491 F CB -1.043 38.032 39.000 0.124 0.000 1.067 491 F HN 0.162 nan 8.300 nan 0.000 0.520 492 A N 0.504 123.535 122.820 0.352 0.000 1.883 492 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 492 A C 2.331 180.070 177.584 0.259 0.000 1.186 492 A CA 2.119 54.280 52.037 0.206 0.000 0.624 492 A CB -0.795 18.373 19.000 0.281 0.000 0.822 492 A HN 0.338 nan 8.150 nan 0.000 0.444 493 K N -0.487 120.011 120.400 0.164 0.000 2.057 493 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 493 K C 2.225 178.891 176.600 0.110 0.000 1.049 493 K CA 1.433 57.783 56.287 0.105 0.000 0.931 493 K CB -0.217 32.300 32.500 0.029 0.000 0.714 493 K HN 0.453 nan 8.250 nan 0.000 0.440 494 R N -0.005 120.555 120.500 0.099 0.000 2.092 494 R HA -0.027 4.313 4.340 -0.000 0.000 0.231 494 R C 2.382 178.849 176.300 0.278 0.000 1.119 494 R CA 0.975 57.152 56.100 0.128 0.000 0.970 494 R CB -0.317 30.048 30.300 0.107 0.000 0.864 494 R HN 0.261 nan 8.270 nan 0.000 0.440 495 A N 0.750 123.754 122.820 0.308 0.000 2.032 495 A HA -0.156 4.164 4.320 -0.000 0.000 0.221 495 A C 1.785 179.733 177.584 0.606 0.000 1.165 495 A CA 1.318 53.589 52.037 0.389 0.000 0.645 495 A CB -0.188 18.955 19.000 0.239 0.000 0.807 495 A HN 0.128 nan 8.150 nan 0.000 0.453 496 M N 0.123 119.975 119.600 0.421 0.000 2.494 496 M HA 0.099 4.579 4.480 -0.000 0.000 0.232 496 M C 0.775 177.070 176.300 -0.009 0.000 1.137 496 M CA 0.129 55.569 55.300 0.234 0.000 1.012 496 M CB -1.067 31.603 32.600 0.117 0.000 1.567 496 M HN 0.301 nan 8.290 nan 0.000 0.486 497 N N 0.341 119.140 118.700 0.164 0.000 2.453 497 N HA -0.150 4.590 4.740 -0.000 0.000 0.183 497 N C 1.497 177.096 175.510 0.148 0.000 1.041 497 N CA 0.802 53.920 53.050 0.114 0.000 0.900 497 N CB -0.366 38.211 38.487 0.150 0.000 0.961 497 N HN 0.601 nan 8.380 nan 0.000 0.443 498 Y N 0.563 121.027 120.300 0.272 0.000 2.315 498 Y HA -0.042 4.508 4.550 -0.000 0.000 0.288 498 Y C 1.697 177.702 175.900 0.176 0.000 1.154 498 Y CA 1.015 59.260 58.100 0.241 0.000 1.229 498 Y CB -0.487 38.114 38.460 0.234 0.000 0.980 498 Y HN -0.119 nan 8.280 nan 0.000 0.540 499 K N 0.521 120.585 120.400 -0.560 0.000 2.283 499 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 499 K C 1.358 177.936 176.600 -0.037 0.000 1.048 499 K CA 1.012 57.092 56.287 -0.344 0.000 0.948 499 K CB -0.199 32.023 32.500 -0.463 0.000 0.742 499 K HN 0.390 nan 8.250 nan 0.000 0.458 500 N N 0.791 119.471 118.700 -0.034 0.000 2.453 500 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 500 N C 1.060 176.501 175.510 -0.115 0.000 1.041 500 N CA 0.922 53.930 53.050 -0.070 0.000 0.900 500 N CB 0.179 38.649 38.487 -0.028 0.000 0.961 500 N HN 0.226 nan 8.380 nan 0.000 0.443 501 L N -0.747 120.519 121.223 0.072 0.000 2.857 501 L HA 0.285 4.625 4.340 -0.000 0.000 0.249 501 L C -0.060 176.974 176.870 0.274 0.000 1.172 501 L CA -0.376 54.562 54.840 0.164 0.000 0.980 501 L CB 0.011 42.137 42.059 0.111 0.000 1.299 501 L HN -0.072 nan 8.230 nan 0.000 0.535 502 F N 1.975 121.999 119.950 0.123 0.000 2.424 502 F HA 0.253 4.780 4.527 -0.000 0.000 0.356 502 F C 0.276 175.981 175.800 -0.157 0.000 1.110 502 F CA -0.706 57.280 58.000 -0.023 0.000 1.161 502 F CB 0.675 39.675 39.000 -0.000 0.000 1.115 502 F HN -0.076 nan 8.300 nan 0.000 0.507 503 D N 5.284 125.013 120.400 -1.118 0.000 2.392 503 D HA 0.204 4.844 4.640 -0.000 0.000 0.228 503 D C 0.386 176.143 176.300 -0.903 0.000 1.074 503 D CA -0.524 52.776 54.000 -1.166 0.000 0.838 503 D CB 1.284 41.132 40.800 -1.587 0.000 1.067 503 D HN 0.586 nan 8.370 nan 0.000 0.511 504 K N 2.355 122.530 120.400 -0.374 0.000 2.209 504 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 504 K C 1.436 177.921 176.600 -0.191 0.000 1.048 504 K CA 0.902 57.128 56.287 -0.101 0.000 0.940 504 K CB 0.222 32.747 32.500 0.042 0.000 0.729 504 K HN 0.476 nan 8.250 nan 0.000 0.451 505 E N 0.716 120.750 120.200 -0.278 0.000 2.077 505 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 505 E C 1.833 178.299 176.600 -0.224 0.000 0.989 505 E CA 1.723 57.993 56.400 -0.217 0.000 0.800 505 E CB 0.048 29.613 29.700 -0.225 0.000 0.746 505 E HN 0.468 nan 8.360 nan 0.000 0.452 506 S N -0.470 115.019 115.700 -0.351 0.000 2.502 506 S HA 0.116 4.586 4.470 -0.000 0.000 0.215 506 S C 0.557 174.945 174.600 -0.354 0.000 1.009 506 S CA -0.170 57.850 58.200 -0.300 0.000 0.908 506 S CB 0.246 63.271 63.200 -0.293 0.000 0.801 506 S HN 0.112 nan 8.310 nan 0.000 0.505 507 K N 0.729 120.846 120.400 -0.471 0.000 3.117 507 K HA -0.125 4.195 4.320 -0.000 0.000 0.269 507 K C -0.886 175.319 176.600 -0.659 0.000 1.098 507 K CA 0.544 56.561 56.287 -0.449 0.000 0.785 507 K CB -2.051 30.422 32.500 -0.043 0.000 1.242 507 K HN 0.479 nan 8.250 nan 0.000 0.491 508 L N -0.535 120.124 121.223 -0.940 0.000 2.403 508 L HA 0.538 4.878 4.340 -0.000 0.000 0.253 508 L C 0.186 176.613 176.870 -0.738 0.000 1.045 508 L CA -1.502 52.878 54.840 -0.767 0.000 0.845 508 L CB 1.296 42.948 42.059 -0.677 0.000 1.447 508 L HN -0.095 nan 8.230 nan 0.000 0.411 509 M N 1.656 121.020 119.600 -0.393 0.000 2.233 509 M HA 0.369 4.848 4.480 -0.000 0.000 0.350 509 M C -0.355 175.903 176.300 -0.069 0.000 1.176 509 M CA 0.377 55.595 55.300 -0.138 0.000 1.150 509 M CB 0.592 33.264 32.600 0.120 0.000 1.530 509 M HN 0.514 nan 8.290 nan 0.000 0.459 510 R N 0.282 120.708 120.500 -0.124 0.000 2.604 510 R HA 0.546 4.886 4.340 -0.000 0.000 0.270 510 R C -0.414 175.853 176.300 -0.054 0.000 1.052 510 R CA -0.465 55.466 56.100 -0.282 0.000 0.902 510 R CB 1.541 31.187 30.300 -1.090 0.000 1.233 510 R HN 0.898 nan 8.270 nan 0.000 0.455 511 G N 2.444 111.172 108.800 -0.120 0.000 2.491 511 G HA2 0.155 4.115 3.960 -0.000 0.000 0.238 511 G HA3 0.155 4.115 3.960 -0.000 0.000 0.238 511 G C -0.798 174.026 174.900 -0.127 0.000 1.277 511 G CA -0.280 44.753 45.100 -0.112 0.000 0.851 511 G HN 0.534 nan 8.290 nan 0.000 0.573 512 R N 1.633 122.037 120.500 -0.160 0.000 2.476 512 R HA 0.159 4.499 4.340 -0.000 0.000 0.305 512 R C -0.380 175.865 176.300 -0.092 0.000 0.965 512 R CA -0.838 55.035 56.100 -0.378 0.000 0.867 512 R CB 0.708 30.440 30.300 -0.946 0.000 1.176 512 R HN 0.593 nan 8.270 nan 0.000 0.447 513 N N 2.127 120.779 118.700 -0.080 0.000 2.344 513 N HA -0.119 4.621 4.740 -0.000 0.000 0.236 513 N C 0.871 176.434 175.510 0.089 0.000 1.279 513 N CA 0.186 53.258 53.050 0.036 0.000 0.882 513 N CB 0.695 39.184 38.487 0.003 0.000 1.110 513 N HN 0.715 nan 8.380 nan 0.000 0.436 514 E N 0.588 120.813 120.200 0.042 0.000 2.118 514 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 514 E C 0.478 177.105 176.600 0.044 0.000 0.992 514 E CA 1.487 57.893 56.400 0.008 0.000 0.804 514 E CB 0.007 29.669 29.700 -0.064 0.000 0.741 514 E HN 0.627 nan 8.360 nan 0.000 0.458 515 D N -1.160 119.254 120.400 0.023 0.000 2.378 515 D HA -0.040 4.600 4.640 -0.000 0.000 0.222 515 D C 1.344 177.644 176.300 0.001 0.000 0.980 515 D CA 1.157 55.163 54.000 0.010 0.000 0.907 515 D CB 0.131 40.930 40.800 -0.002 0.000 0.899 515 D HN 0.400 nan 8.370 nan 0.000 0.527 516 G N -0.470 108.330 108.800 0.000 0.000 2.213 516 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.226 516 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.226 516 G C 0.469 175.232 174.900 -0.228 0.000 0.992 516 G CA 0.273 45.323 45.100 -0.083 0.000 0.632 516 G HN 0.774 nan 8.290 nan 0.000 0.511 517 T N -0.094 114.366 114.554 -0.156 0.000 2.884 517 T HA 0.600 4.950 4.350 -0.000 0.000 0.298 517 T C 0.321 174.886 174.700 -0.225 0.000 0.998 517 T CA -0.510 61.499 62.100 -0.152 0.000 1.124 517 T CB 1.354 70.184 68.868 -0.063 0.000 0.931 517 T HN 0.254 nan 8.240 nan 0.000 0.531 518 F N 2.695 122.533 119.950 -0.188 0.000 2.518 518 F HA 0.246 4.773 4.527 -0.000 0.000 0.359 518 F C 1.231 176.873 175.800 -0.264 0.000 1.118 518 F CA -0.358 57.482 58.000 -0.267 0.000 1.287 518 F CB 0.591 39.401 39.000 -0.317 0.000 1.132 518 F HN 0.689 nan 8.300 nan 0.000 0.587 519 Q N 1.383 121.092 119.800 -0.152 0.000 2.392 519 Q HA 0.472 4.812 4.340 -0.000 0.000 0.262 519 Q C -0.986 174.910 176.000 -0.174 0.000 1.003 519 Q CA -0.138 55.480 55.803 -0.307 0.000 0.888 519 Q CB 0.923 29.102 28.738 -0.931 0.000 1.260 519 Q HN 0.488 nan 8.270 nan 0.000 0.435 520 S N 1.997 117.631 115.700 -0.109 0.000 2.546 520 S HA 0.654 5.124 4.470 -0.000 0.000 0.274 520 S C -2.466 172.132 174.600 -0.005 0.000 1.121 520 S CA -1.145 57.040 58.200 -0.025 0.000 0.887 520 S CB 1.307 64.500 63.200 -0.011 0.000 1.094 520 S HN 0.838 nan 8.310 nan 0.000 0.474 521 P HA 0.489 nan 4.420 nan 0.000 0.277 521 P C -1.420 175.926 177.300 0.076 0.000 1.240 521 P CA -0.378 62.744 63.100 0.038 0.000 0.798 521 P CB 0.447 32.161 31.700 0.024 0.000 0.979 522 F N 0.941 120.838 119.950 -0.088 0.000 2.458 522 F HA 0.508 5.035 4.527 -0.000 0.000 0.336 522 F C -0.477 175.282 175.800 -0.069 0.000 1.114 522 F CA -0.518 57.420 58.000 -0.103 0.000 0.987 522 F CB 1.766 40.671 39.000 -0.160 0.000 1.130 522 F HN 0.308 nan 8.300 nan 0.000 0.458 523 S N 7.297 122.553 115.700 -0.740 0.000 2.561 523 S HA 0.487 4.957 4.470 -0.000 0.000 0.303 523 S C -2.003 172.020 174.600 -0.961 0.000 1.110 523 S CA -1.654 56.100 58.200 -0.744 0.000 1.034 523 S CB 1.643 64.680 63.200 -0.272 0.000 1.010 523 S HN 0.535 nan 8.310 nan 0.000 0.482 524 P HA 0.019 nan 4.420 nan 0.000 0.226 524 P C 0.918 178.063 177.300 -0.258 0.000 1.153 524 P CA 0.721 63.417 63.100 -0.674 0.000 0.777 524 P CB 0.065 31.380 31.700 -0.643 0.000 0.794 525 L N -1.289 119.874 121.223 -0.101 0.000 2.592 525 L HA 0.158 4.498 4.340 -0.000 0.000 0.227 525 L C 1.367 178.384 176.870 0.245 0.000 1.127 525 L CA -0.057 54.857 54.840 0.123 0.000 0.884 525 L CB -0.316 41.836 42.059 0.155 0.000 1.065 525 L HN -0.117 nan 8.230 nan 0.000 0.457 526 K N 0.591 121.064 120.400 0.122 0.000 2.349 526 K HA 0.043 4.363 4.320 -0.000 0.000 0.288 526 K C -0.946 175.867 176.600 0.356 0.000 1.058 526 K CA -0.461 55.977 56.287 0.251 0.000 0.953 526 K CB 0.504 33.093 32.500 0.149 0.000 0.997 526 K HN -0.104 nan 8.250 nan 0.000 0.477 527 W N 2.931 124.369 121.300 0.230 0.000 2.283 527 W HA 0.382 5.042 4.660 -0.000 0.000 0.341 527 W C 0.991 177.652 176.519 0.237 0.000 1.206 527 W CA 1.059 58.582 57.345 0.297 0.000 1.294 527 W CB 0.729 30.415 29.460 0.376 0.000 1.154 527 W HN 0.973 nan 8.180 nan 0.000 0.613 528 G N 1.695 110.727 108.800 0.386 0.000 2.569 528 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.259 528 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.259 528 G C 0.442 174.976 174.900 -0.610 0.000 1.263 528 G CA 1.144 46.101 45.100 -0.238 0.000 0.928 528 G HN 0.875 nan 8.290 nan 0.000 0.572 529 D N -2.682 116.710 120.400 -1.680 0.000 4.508 529 D HA -0.186 4.454 4.640 -0.000 0.000 0.178 529 D C 2.099 178.092 176.300 -0.512 0.000 0.644 529 D CA 4.215 57.660 54.000 -0.924 0.000 1.244 529 D CB -1.548 39.067 40.800 -0.307 0.000 0.727 529 D HN 1.880 nan 8.370 nan 0.000 0.495 530 A N -0.610 122.018 122.820 -0.320 0.000 2.066 530 A HA 0.298 4.618 4.320 -0.000 0.000 0.218 530 A C 1.081 178.187 177.584 -0.797 0.000 1.157 530 A CA 1.243 52.974 52.037 -0.511 0.000 0.670 530 A CB -0.276 18.390 19.000 -0.557 0.000 0.804 530 A HN 0.255 nan 8.150 nan 0.000 0.453 531 F N -1.791 118.039 119.950 -0.199 0.000 2.613 531 F HA 0.534 5.061 4.527 -0.000 0.000 0.342 531 F C 0.328 176.029 175.800 -0.164 0.000 1.066 531 F CA -0.773 57.082 58.000 -0.242 0.000 1.002 531 F CB 1.268 40.184 39.000 -0.139 0.000 1.319 531 F HN -0.334 nan 8.300 nan 0.000 0.495 532 T N 1.059 115.714 114.554 0.168 0.000 2.779 532 T HA 0.277 4.627 4.350 -0.000 0.000 0.280 532 T C -0.396 174.551 174.700 0.413 0.000 0.987 532 T CA -0.538 61.701 62.100 0.232 0.000 0.966 532 T CB 1.059 70.058 68.868 0.219 0.000 0.933 532 T HN 0.568 nan 8.240 nan 0.000 0.442 533 E N 0.506 120.900 120.200 0.324 0.000 2.883 533 E HA -0.190 4.160 4.350 -0.000 0.000 0.271 533 E C 0.371 177.068 176.600 0.162 0.000 1.049 533 E CA 1.321 57.897 56.400 0.294 0.000 0.817 533 E CB -1.431 28.434 29.700 0.275 0.000 1.407 533 E HN 1.115 nan 8.360 nan 0.000 0.434 534 G N -0.291 108.543 108.800 0.058 0.000 2.317 534 G HA2 0.353 4.313 3.960 -0.000 0.000 0.293 534 G HA3 0.353 4.313 3.960 -0.000 0.000 0.293 534 G C -0.892 173.777 174.900 -0.385 0.000 1.287 534 G CA -0.162 44.591 45.100 -0.578 0.000 0.850 534 G HN 0.142 nan 8.290 nan 0.000 0.515 535 N N -1.607 116.749 118.700 -0.574 0.000 2.813 535 N HA 0.603 5.343 4.740 -0.000 0.000 0.320 535 N C 1.325 176.292 175.510 -0.904 0.000 1.315 535 N CA 0.302 52.989 53.050 -0.604 0.000 0.871 535 N CB 1.067 39.223 38.487 -0.553 0.000 1.241 535 N HN 0.596 nan 8.380 nan 0.000 0.602 536 S N -1.400 113.698 115.700 -1.004 0.000 2.382 536 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 536 S C 1.095 175.257 174.600 -0.731 0.000 1.027 536 S CA 0.897 58.436 58.200 -1.102 0.000 0.991 536 S CB -0.629 62.239 63.200 -0.554 0.000 0.823 536 S HN 0.555 nan 8.310 nan 0.000 0.469 537 W N 0.916 121.841 121.300 -0.624 0.000 2.374 537 W HA -0.074 4.586 4.660 -0.000 0.000 0.288 537 W C 2.231 178.531 176.519 -0.364 0.000 1.218 537 W CA 1.301 58.351 57.345 -0.491 0.000 1.245 537 W CB -0.271 28.910 29.460 -0.465 0.000 1.126 537 W HN 0.587 nan 8.180 nan 0.000 0.545 538 H N -3.777 115.248 119.070 -0.075 0.000 2.415 538 H HA -0.049 4.507 4.556 -0.000 0.000 0.297 538 H C 1.399 176.672 175.328 -0.092 0.000 1.048 538 H CA 1.299 57.301 56.048 -0.078 0.000 1.365 538 H CB -0.361 29.246 29.762 -0.259 0.000 1.421 538 H HN 0.113 nan 8.280 nan 0.000 0.533 539 Y N 0.595 120.789 120.300 -0.178 0.000 2.490 539 Y HA -0.081 4.469 4.550 -0.000 0.000 0.285 539 Y C 2.244 178.033 175.900 -0.185 0.000 1.117 539 Y CA 0.534 58.574 58.100 -0.101 0.000 1.262 539 Y CB 0.382 38.801 38.460 -0.068 0.000 1.043 539 Y HN 0.105 nan 8.280 nan 0.000 0.553 540 T N -0.586 113.757 114.554 -0.352 0.000 2.778 540 T HA -0.263 4.087 4.350 -0.000 0.000 0.269 540 T C 0.867 175.279 174.700 -0.480 0.000 1.050 540 T CA 1.890 63.676 62.100 -0.524 0.000 1.137 540 T CB -0.496 67.815 68.868 -0.928 0.000 0.860 540 T HN 0.511 nan 8.240 nan 0.000 0.468 541 W N 1.322 122.590 121.300 -0.052 0.000 3.180 541 W HA 0.272 4.932 4.660 -0.000 0.000 0.254 541 W C 1.123 177.559 176.519 -0.138 0.000 1.318 541 W CA -0.535 56.750 57.345 -0.099 0.000 1.608 541 W CB -0.307 29.022 29.460 -0.217 0.000 1.124 541 W HN -0.051 nan 8.180 nan 0.000 0.694 542 S N 1.303 116.968 115.700 -0.058 0.000 4.069 542 S HA 0.203 4.673 4.470 -0.000 0.000 0.192 542 S C 0.163 174.454 174.600 -0.516 0.000 1.441 542 S CA 0.014 57.951 58.200 -0.438 0.000 0.994 542 S CB -0.448 62.785 63.200 0.054 0.000 1.456 542 S HN -0.044 nan 8.310 nan 0.000 0.458 543 V N 2.758 122.265 119.914 -0.677 0.000 2.405 543 V HA 0.237 4.357 4.120 -0.000 0.000 0.253 543 V C 0.331 176.025 176.094 -0.668 0.000 0.963 543 V CA -0.474 61.432 62.300 -0.655 0.000 1.003 543 V CB -0.590 30.739 31.823 -0.824 0.000 1.251 543 V HN 0.605 nan 8.190 nan 0.000 0.520 544 F N 0.648 120.370 119.950 -0.379 0.000 2.216 544 F HA -0.141 4.386 4.527 -0.000 0.000 0.300 544 F C 2.460 178.028 175.800 -0.386 0.000 1.085 544 F CA 1.845 59.575 58.000 -0.451 0.000 1.326 544 F CB -0.365 38.183 39.000 -0.753 0.000 1.027 544 F HN 0.632 nan 8.300 nan 0.000 0.497 545 H N -2.170 116.718 119.070 -0.302 0.000 2.539 545 H HA 0.173 4.729 4.556 -0.000 0.000 0.269 545 H C -0.231 174.955 175.328 -0.237 0.000 0.980 545 H CA 0.843 56.561 56.048 -0.549 0.000 1.152 545 H CB -0.089 28.949 29.762 -1.207 0.000 1.407 545 H HN 0.222 nan 8.280 nan 0.000 0.564 546 D N 0.116 120.161 120.400 -0.593 0.000 3.220 546 D HA 0.208 4.848 4.640 -0.000 0.000 0.309 546 D C -2.116 173.934 176.300 -0.416 0.000 1.276 546 D CA -1.661 52.093 54.000 -0.410 0.000 0.736 546 D CB 0.778 41.363 40.800 -0.358 0.000 1.304 546 D HN -0.020 nan 8.370 nan 0.000 0.582 547 P HA -0.173 nan 4.420 nan 0.000 0.215 547 P C 1.401 178.495 177.300 -0.343 0.000 1.153 547 P CA 1.079 63.908 63.100 -0.451 0.000 0.853 547 P CB 0.377 31.561 31.700 -0.861 0.000 0.788 548 Q N -0.024 119.656 119.800 -0.200 0.000 2.181 548 Q HA -0.115 4.225 4.340 -0.000 0.000 0.205 548 Q C 2.076 177.965 176.000 -0.185 0.000 0.980 548 Q CA 2.239 57.937 55.803 -0.176 0.000 0.862 548 Q CB -1.517 27.163 28.738 -0.097 0.000 0.905 548 Q HN 0.195 nan 8.270 nan 0.000 0.429 549 G N 0.193 108.898 108.800 -0.158 0.000 2.402 549 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 549 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 549 G C 1.292 176.136 174.900 -0.094 0.000 1.162 549 G CA 0.789 45.849 45.100 -0.067 0.000 0.777 549 G HN 0.416 nan 8.290 nan 0.000 0.539 550 L N 0.803 121.919 121.223 -0.178 0.000 2.017 550 L HA 0.116 4.456 4.340 -0.000 0.000 0.208 550 L C 2.675 179.455 176.870 -0.149 0.000 1.073 550 L CA 1.306 56.059 54.840 -0.146 0.000 0.745 550 L CB -0.491 41.517 42.059 -0.084 0.000 0.894 550 L HN 0.246 nan 8.230 nan 0.000 0.432 551 I N -0.234 120.135 120.570 -0.334 0.000 2.208 551 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 551 I C 1.940 177.967 176.117 -0.150 0.000 1.097 551 I CA 1.400 62.466 61.300 -0.391 0.000 1.363 551 I CB -0.507 37.124 38.000 -0.614 0.000 1.051 551 I HN 0.310 nan 8.210 nan 0.000 0.413 552 D N 0.617 120.921 120.400 -0.160 0.000 2.178 552 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 552 D C 2.300 178.512 176.300 -0.146 0.000 0.980 552 D CA 1.205 55.134 54.000 -0.119 0.000 0.842 552 D CB -0.156 40.578 40.800 -0.110 0.000 0.948 552 D HN 0.341 nan 8.370 nan 0.000 0.472 553 L N -0.211 120.849 121.223 -0.271 0.000 2.156 553 L HA 0.025 4.365 4.340 -0.000 0.000 0.208 553 L C 2.048 178.744 176.870 -0.289 0.000 1.095 553 L CA 0.637 55.160 54.840 -0.529 0.000 0.770 553 L CB -0.149 41.121 42.059 -1.316 0.000 0.914 553 L HN -0.052 nan 8.230 nan 0.000 0.439 554 M N -0.347 119.214 119.600 -0.064 0.000 2.571 554 M HA 0.197 4.677 4.480 -0.000 0.000 0.235 554 M C 0.909 177.322 176.300 0.188 0.000 1.216 554 M CA 0.415 55.846 55.300 0.218 0.000 0.979 554 M CB 0.276 33.099 32.600 0.373 0.000 1.616 554 M HN 0.380 nan 8.290 nan 0.000 0.469 555 G N 0.640 109.503 108.800 0.104 0.000 2.132 555 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.228 555 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.228 555 G C 0.341 175.294 174.900 0.089 0.000 1.000 555 G CA -0.044 45.113 45.100 0.094 0.000 0.693 555 G HN 0.938 nan 8.290 nan 0.000 0.515 556 G N -0.722 108.121 108.800 0.071 0.000 2.699 556 G HA2 0.216 4.176 3.960 -0.000 0.000 0.686 556 G HA3 0.216 4.176 3.960 -0.000 0.000 0.686 556 G C 0.744 175.710 174.900 0.110 0.000 1.301 556 G CA 0.467 45.602 45.100 0.059 0.000 0.816 556 G HN 1.544 nan 8.290 nan 0.000 0.595 557 K N -0.024 120.422 120.400 0.077 0.000 2.103 557 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 557 K C 1.826 178.559 176.600 0.222 0.000 1.048 557 K CA 2.325 58.687 56.287 0.125 0.000 0.930 557 K CB -0.090 32.453 32.500 0.071 0.000 0.716 557 K HN 0.518 nan 8.250 nan 0.000 0.444 558 E N 0.870 121.172 120.200 0.170 0.000 2.072 558 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 558 E C 1.959 178.674 176.600 0.192 0.000 0.985 558 E CA 1.445 57.947 56.400 0.171 0.000 0.801 558 E CB -0.204 29.573 29.700 0.129 0.000 0.750 558 E HN 0.267 nan 8.360 nan 0.000 0.452 559 M N -0.214 119.500 119.600 0.191 0.000 2.254 559 M HA 0.015 4.495 4.480 -0.000 0.000 0.265 559 M C 1.758 178.211 176.300 0.254 0.000 1.066 559 M CA 1.220 56.635 55.300 0.193 0.000 1.123 559 M CB -0.283 32.415 32.600 0.163 0.000 1.388 559 M HN 0.184 nan 8.290 nan 0.000 0.425 560 F N -0.427 119.606 119.950 0.138 0.000 2.134 560 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 560 F C 1.773 177.676 175.800 0.171 0.000 1.097 560 F CA 1.618 59.722 58.000 0.174 0.000 1.264 560 F CB -0.415 38.665 39.000 0.134 0.000 1.001 560 F HN -0.037 nan 8.300 nan 0.000 0.479 561 V N 0.003 120.099 119.914 0.305 0.000 2.407 561 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 561 V C 2.295 178.488 176.094 0.166 0.000 1.055 561 V CA 2.362 64.792 62.300 0.217 0.000 1.049 561 V CB -1.059 30.938 31.823 0.290 0.000 0.662 561 V HN 0.444 nan 8.190 nan 0.000 0.455 562 T N -0.203 114.452 114.554 0.168 0.000 2.746 562 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 562 T C 1.981 176.769 174.700 0.146 0.000 1.039 562 T CA 1.510 63.701 62.100 0.152 0.000 1.142 562 T CB -0.282 68.673 68.868 0.144 0.000 0.866 562 T HN 0.192 nan 8.240 nan 0.000 0.444 563 M N 0.698 120.393 119.600 0.159 0.000 2.080 563 M HA -0.002 4.478 4.480 -0.000 0.000 0.260 563 M C 2.407 178.832 176.300 0.210 0.000 1.068 563 M CA 1.629 57.084 55.300 0.258 0.000 1.109 563 M CB -1.074 31.701 32.600 0.293 0.000 1.342 563 M HN 0.328 nan 8.290 nan 0.000 0.405 564 M N -0.317 119.240 119.600 -0.073 0.000 2.086 564 M HA -0.226 4.254 4.480 -0.000 0.000 0.261 564 M C 1.620 177.857 176.300 -0.106 0.000 1.067 564 M CA 1.480 56.539 55.300 -0.401 0.000 1.116 564 M CB -0.772 31.305 32.600 -0.871 0.000 1.348 564 M HN 0.169 nan 8.290 nan 0.000 0.407 565 D N 0.416 120.897 120.400 0.135 0.000 2.123 565 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 565 D C 2.160 178.540 176.300 0.134 0.000 0.992 565 D CA 1.918 56.082 54.000 0.273 0.000 0.833 565 D CB -0.304 40.643 40.800 0.245 0.000 0.954 565 D HN 0.386 nan 8.370 nan 0.000 0.455 566 S N -0.057 115.656 115.700 0.023 0.000 2.419 566 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 566 S C 2.192 176.571 174.600 -0.370 0.000 1.016 566 S CA 0.766 58.902 58.200 -0.107 0.000 0.974 566 S CB -0.510 62.652 63.200 -0.065 0.000 0.786 566 S HN 0.075 nan 8.310 nan 0.000 0.492 567 V N 1.013 120.646 119.914 -0.469 0.000 2.324 567 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 567 V C 2.186 177.884 176.094 -0.660 0.000 1.060 567 V CA 2.148 64.019 62.300 -0.716 0.000 1.042 567 V CB -1.078 30.330 31.823 -0.693 0.000 0.650 567 V HN 0.569 nan 8.190 nan 0.000 0.450 568 F N 0.205 119.944 119.950 -0.352 0.000 2.502 568 F HA 0.114 4.641 4.527 -0.000 0.000 0.298 568 F C 2.112 177.818 175.800 -0.156 0.000 1.111 568 F CA 1.008 58.808 58.000 -0.333 0.000 1.445 568 F CB -0.497 38.129 39.000 -0.624 0.000 1.081 568 F HN 0.130 nan 8.300 nan 0.000 0.558 569 A N -0.179 122.633 122.820 -0.013 0.000 2.303 569 A HA 0.316 4.636 4.320 -0.000 0.000 0.217 569 A C 0.478 178.020 177.584 -0.070 0.000 1.205 569 A CA 0.116 52.156 52.037 0.006 0.000 0.875 569 A CB -0.608 18.416 19.000 0.040 0.000 0.910 569 A HN 0.020 nan 8.150 nan 0.000 0.501 570 V N -1.458 118.342 119.914 -0.189 0.000 2.406 570 V HA 0.443 4.563 4.120 -0.000 0.000 0.272 570 V C -2.929 173.095 176.094 -0.117 0.000 1.043 570 V CA -2.872 59.314 62.300 -0.191 0.000 0.915 570 V CB 0.468 32.078 31.823 -0.356 0.000 0.988 570 V HN 0.064 nan 8.190 nan 0.000 0.466 571 P HA 0.060 nan 4.420 nan 0.000 0.263 571 P C -2.167 175.149 177.300 0.027 0.000 1.168 571 P CA -0.599 62.501 63.100 0.000 0.000 0.759 571 P CB -0.116 31.587 31.700 0.005 0.000 0.782 572 P HA 0.028 nan 4.420 nan 0.000 0.238 572 P C 0.177 177.626 177.300 0.249 0.000 1.714 572 P CA 0.400 63.597 63.100 0.162 0.000 0.908 572 P CB -0.156 31.636 31.700 0.153 0.000 1.893 573 I N 1.759 122.424 120.570 0.158 0.000 2.834 573 I HA 0.430 4.600 4.170 -0.000 0.000 0.305 573 I C -0.467 175.780 176.117 0.216 0.000 1.008 573 I CA -0.673 60.667 61.300 0.066 0.000 1.273 573 I CB 0.882 38.849 38.000 -0.054 0.000 1.432 573 I HN -0.024 nan 8.210 nan 0.000 0.557 574 F N 2.668 122.663 119.950 0.075 0.000 2.741 574 F HA 0.466 4.993 4.527 -0.000 0.000 0.311 574 F C -1.552 174.301 175.800 0.088 0.000 1.149 574 F CA -1.248 56.831 58.000 0.131 0.000 0.930 574 F CB 0.792 39.804 39.000 0.020 0.000 1.312 574 F HN 0.291 nan 8.300 nan 0.000 0.450 575 D N 1.188 121.814 120.400 0.376 0.000 2.471 575 D HA 0.239 4.879 4.640 -0.000 0.000 0.245 575 D C -0.541 176.003 176.300 0.406 0.000 1.116 575 D CA -0.448 53.713 54.000 0.268 0.000 0.853 575 D CB 1.385 42.292 40.800 0.178 0.000 1.123 575 D HN 0.695 nan 8.370 nan 0.000 0.540 576 D N 1.456 122.093 120.400 0.394 0.000 2.368 576 D HA -0.058 4.582 4.640 -0.000 0.000 0.218 576 D C 1.213 177.709 176.300 0.326 0.000 1.112 576 D CA 0.005 54.229 54.000 0.373 0.000 0.834 576 D CB -0.086 40.866 40.800 0.253 0.000 0.953 576 D HN 0.218 nan 8.370 nan 0.000 0.505 577 S N -0.225 115.623 115.700 0.247 0.000 2.407 577 S HA -0.332 4.138 4.470 -0.000 0.000 0.235 577 S C 1.942 176.638 174.600 0.160 0.000 1.036 577 S CA 0.772 59.076 58.200 0.172 0.000 1.013 577 S CB -1.147 62.133 63.200 0.134 0.000 0.820 577 S HN 0.405 nan 8.310 nan 0.000 0.476 578 Y N 1.552 121.873 120.300 0.035 0.000 2.256 578 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 578 Y C 1.671 177.434 175.900 -0.229 0.000 1.155 578 Y CA 1.340 59.349 58.100 -0.153 0.000 1.203 578 Y CB -0.383 37.894 38.460 -0.305 0.000 0.980 578 Y HN 0.326 nan 8.280 nan 0.000 0.530 579 Y N -1.299 119.032 120.300 0.053 0.000 2.509 579 Y HA 0.283 4.833 4.550 -0.000 0.000 0.270 579 Y C 2.075 177.951 175.900 -0.040 0.000 1.103 579 Y CA 0.429 58.499 58.100 -0.050 0.000 1.278 579 Y CB 0.008 38.483 38.460 0.026 0.000 1.087 579 Y HN 0.072 nan 8.280 nan 0.000 0.542 580 G N 0.898 109.785 108.800 0.146 0.000 2.143 580 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 580 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 580 G C -0.108 174.853 174.900 0.103 0.000 0.991 580 G CA 0.524 45.679 45.100 0.092 0.000 0.689 580 G HN 0.500 nan 8.290 nan 0.000 0.522 581 Q N -2.704 117.170 119.800 0.123 0.000 2.776 581 Q HA 0.499 4.839 4.340 -0.000 0.000 0.289 581 Q C -0.857 175.146 176.000 0.005 0.000 0.912 581 Q CA -1.034 54.816 55.803 0.080 0.000 0.789 581 Q CB 1.038 29.834 28.738 0.096 0.000 1.498 581 Q HN 0.469 nan 8.270 nan 0.000 0.408 582 V N 3.191 123.082 119.914 -0.038 0.000 2.242 582 V HA 0.134 4.254 4.120 -0.000 0.000 0.242 582 V C 0.864 176.778 176.094 -0.300 0.000 1.240 582 V CA -0.202 61.973 62.300 -0.207 0.000 1.211 582 V CB -1.481 30.255 31.823 -0.144 0.000 1.338 582 V HN 0.640 nan 8.190 nan 0.000 0.499 583 I N 0.862 121.177 120.570 -0.425 0.000 2.948 583 I HA 0.060 4.230 4.170 -0.000 0.000 0.290 583 I C 1.819 177.616 176.117 -0.533 0.000 1.226 583 I CA 0.001 61.002 61.300 -0.499 0.000 1.413 583 I CB 0.243 37.823 38.000 -0.700 0.000 1.352 583 I HN 0.739 nan 8.210 nan 0.000 0.597 584 H N 2.012 120.816 119.070 -0.444 0.000 2.422 584 H HA -0.148 4.408 4.556 -0.000 0.000 0.298 584 H C 1.444 176.602 175.328 -0.284 0.000 1.098 584 H CA 1.822 57.681 56.048 -0.316 0.000 1.315 584 H CB -0.438 29.199 29.762 -0.209 0.000 1.382 584 H HN 0.761 nan 8.280 nan 0.000 0.523 585 E N 0.693 120.416 120.200 -0.795 0.000 2.153 585 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 585 E C 2.075 178.401 176.600 -0.457 0.000 0.988 585 E CA 1.339 57.461 56.400 -0.463 0.000 0.811 585 E CB -0.089 29.422 29.700 -0.315 0.000 0.746 585 E HN 0.621 nan 8.360 nan 0.000 0.466 586 I N 0.117 120.153 120.570 -0.891 0.000 2.286 586 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 586 I C 2.389 178.102 176.117 -0.675 0.000 1.104 586 I CA 0.582 61.144 61.300 -1.230 0.000 1.397 586 I CB -0.043 36.934 38.000 -1.706 0.000 1.072 586 I HN 0.004 nan 8.210 nan 0.000 0.417 587 R N 1.608 121.809 120.500 -0.498 0.000 2.097 587 R HA -0.218 4.122 4.340 -0.000 0.000 0.236 587 R C 2.024 178.234 176.300 -0.150 0.000 1.135 587 R CA 1.909 57.849 56.100 -0.265 0.000 0.934 587 R CB -0.545 29.651 30.300 -0.173 0.000 0.846 587 R HN 0.336 nan 8.270 nan 0.000 0.431 588 E N -0.293 119.837 120.200 -0.118 0.000 2.086 588 E HA -0.292 4.058 4.350 -0.000 0.000 0.200 588 E C 1.994 178.571 176.600 -0.038 0.000 1.012 588 E CA 1.892 58.264 56.400 -0.047 0.000 0.812 588 E CB -0.305 29.387 29.700 -0.014 0.000 0.743 588 E HN 0.384 nan 8.360 nan 0.000 0.453 589 M N 0.895 120.468 119.600 -0.046 0.000 2.108 589 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 589 M C 2.372 178.690 176.300 0.029 0.000 1.066 589 M CA 2.229 57.540 55.300 0.019 0.000 1.107 589 M CB -0.369 32.318 32.600 0.145 0.000 1.356 589 M HN 0.257 nan 8.290 nan 0.000 0.406 590 T N -1.573 112.979 114.554 -0.004 0.000 2.777 590 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 590 T C 1.557 176.281 174.700 0.040 0.000 1.040 590 T CA 1.528 63.652 62.100 0.041 0.000 1.141 590 T CB -1.470 67.427 68.868 0.048 0.000 0.868 590 T HN 0.459 nan 8.240 nan 0.000 0.444 591 V N -1.215 118.710 119.914 0.019 0.000 2.970 591 V HA 0.144 4.264 4.120 -0.000 0.000 0.260 591 V C 2.264 178.380 176.094 0.037 0.000 1.100 591 V CA 0.765 63.081 62.300 0.025 0.000 1.122 591 V CB -1.036 30.796 31.823 0.014 0.000 0.721 591 V HN 0.252 nan 8.190 nan 0.000 0.483 592 M N 0.418 120.044 119.600 0.044 0.000 2.541 592 M HA 0.189 4.669 4.480 -0.000 0.000 0.252 592 M C 1.245 177.594 176.300 0.082 0.000 1.125 592 M CA 0.525 55.861 55.300 0.059 0.000 1.091 592 M CB -1.798 30.840 32.600 0.063 0.000 1.420 592 M HN 0.776 nan 8.290 nan 0.000 0.486 593 N N 0.684 119.433 118.700 0.082 0.000 2.747 593 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 593 N C -0.345 175.244 175.510 0.132 0.000 1.107 593 N CA 0.156 53.262 53.050 0.094 0.000 0.707 593 N CB -0.479 38.059 38.487 0.084 0.000 1.054 593 N HN 0.342 nan 8.380 nan 0.000 0.555 594 M N 0.408 120.095 119.600 0.145 0.000 2.959 594 M HA 0.209 4.689 4.480 -0.000 0.000 0.337 594 M C 1.271 177.649 176.300 0.130 0.000 1.220 594 M CA 0.441 55.865 55.300 0.206 0.000 0.893 594 M CB 0.740 33.514 32.600 0.289 0.000 1.322 594 M HN 0.383 nan 8.290 nan 0.000 0.519 595 G N 1.812 110.657 108.800 0.075 0.000 2.583 595 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.292 595 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.292 595 G C 0.419 175.301 174.900 -0.030 0.000 1.203 595 G CA 0.337 45.428 45.100 -0.014 0.000 0.987 595 G HN 0.600 nan 8.290 nan 0.000 0.554 596 N N -0.026 118.591 118.700 -0.139 0.000 2.398 596 N HA 0.038 4.778 4.740 -0.000 0.000 0.188 596 N C 0.175 175.678 175.510 -0.011 0.000 1.122 596 N CA 0.077 53.099 53.050 -0.048 0.000 0.866 596 N CB 0.207 38.567 38.487 -0.212 0.000 0.970 596 N HN 0.425 nan 8.380 nan 0.000 0.462 597 Y N 2.137 122.277 120.300 -0.265 0.000 2.674 597 Y HA 0.198 4.748 4.550 -0.000 0.000 0.354 597 Y C -0.133 175.696 175.900 -0.118 0.000 1.089 597 Y CA -0.810 57.108 58.100 -0.305 0.000 1.444 597 Y CB 0.025 38.137 38.460 -0.580 0.000 1.187 597 Y HN -0.067 nan 8.280 nan 0.000 0.523 598 A N 6.385 128.809 122.820 -0.660 0.000 2.412 598 A HA 0.172 4.492 4.320 -0.000 0.000 0.334 598 A C 0.863 178.058 177.584 -0.649 0.000 1.419 598 A CA -0.518 51.230 52.037 -0.482 0.000 0.930 598 A CB -0.337 18.437 19.000 -0.376 0.000 1.149 598 A HN 1.011 nan 8.150 nan 0.000 0.515 599 H N 2.737 121.448 119.070 -0.599 0.000 2.457 599 H HA -0.112 4.444 4.556 -0.000 0.000 0.294 599 H C 1.862 176.958 175.328 -0.387 0.000 1.064 599 H CA 1.774 57.491 56.048 -0.552 0.000 1.330 599 H CB 0.322 29.919 29.762 -0.274 0.000 1.395 599 H HN 0.735 nan 8.280 nan 0.000 0.541 600 G N 0.459 109.060 108.800 -0.332 0.000 2.509 600 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 600 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 600 G C 0.845 175.593 174.900 -0.253 0.000 1.124 600 G CA 0.016 44.961 45.100 -0.259 0.000 0.776 600 G HN 0.435 nan 8.290 nan 0.000 0.547 601 N N 0.084 118.586 118.700 -0.331 0.000 2.399 601 N HA 0.175 4.915 4.740 -0.000 0.000 0.259 601 N C 1.449 176.791 175.510 -0.280 0.000 1.160 601 N CA -0.171 52.712 53.050 -0.278 0.000 0.946 601 N CB 0.568 38.781 38.487 -0.457 0.000 1.156 601 N HN 0.005 nan 8.380 nan 0.000 0.489 602 Q N 3.666 123.361 119.800 -0.176 0.000 2.077 602 Q HA -0.127 4.213 4.340 -0.000 0.000 0.206 602 Q C -0.882 174.940 176.000 -0.297 0.000 0.989 602 Q CA 2.034 57.658 55.803 -0.299 0.000 0.853 602 Q CB -0.712 27.737 28.738 -0.483 0.000 0.907 602 Q HN 0.666 nan 8.270 nan 0.000 0.418 603 P HA -0.141 nan 4.420 nan 0.000 0.218 603 P C 0.816 178.079 177.300 -0.062 0.000 1.148 603 P CA 1.087 64.009 63.100 -0.297 0.000 0.822 603 P CB 0.063 31.312 31.700 -0.751 0.000 0.784 604 I N -1.044 119.441 120.570 -0.142 0.000 3.793 604 I HA -0.056 4.114 4.170 -0.000 0.000 0.315 604 I C 1.728 177.793 176.117 -0.087 0.000 1.275 604 I CA 0.475 61.704 61.300 -0.119 0.000 1.214 604 I CB -0.100 37.773 38.000 -0.212 0.000 1.018 604 I HN -0.064 nan 8.210 nan 0.000 0.439 605 Q N 0.016 119.799 119.800 -0.028 0.000 2.226 605 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 605 Q C 1.755 177.966 176.000 0.353 0.000 0.975 605 Q CA 1.379 57.198 55.803 0.027 0.000 0.866 605 Q CB -0.113 28.564 28.738 -0.102 0.000 0.915 605 Q HN 0.710 nan 8.270 nan 0.000 0.440 606 H N -0.818 118.405 119.070 0.255 0.000 2.551 606 H HA 0.092 4.648 4.556 -0.000 0.000 0.266 606 H C 1.793 177.281 175.328 0.266 0.000 0.964 606 H CA 0.243 56.472 56.048 0.301 0.000 1.180 606 H CB -0.312 29.685 29.762 0.393 0.000 1.408 606 H HN 0.184 nan 8.280 nan 0.000 0.563 607 M N 1.338 120.638 119.600 -0.500 0.000 2.088 607 M HA -0.198 4.282 4.480 -0.000 0.000 0.256 607 M C 1.998 178.083 176.300 -0.357 0.000 1.071 607 M CA 1.827 56.767 55.300 -0.600 0.000 1.097 607 M CB -0.277 31.940 32.600 -0.638 0.000 1.315 607 M HN 0.268 nan 8.290 nan 0.000 0.406 608 I N -0.758 119.721 120.570 -0.152 0.000 2.335 608 I HA -0.336 3.834 4.170 -0.000 0.000 0.251 608 I C 1.902 178.011 176.117 -0.014 0.000 1.129 608 I CA 1.477 62.717 61.300 -0.100 0.000 1.402 608 I CB -0.647 37.333 38.000 -0.033 0.000 1.069 608 I HN 0.313 nan 8.210 nan 0.000 0.424 609 Y N 0.534 120.909 120.300 0.125 0.000 2.421 609 Y HA -0.132 4.418 4.550 -0.000 0.000 0.292 609 Y C 2.287 178.361 175.900 0.290 0.000 1.136 609 Y CA 0.726 58.965 58.100 0.231 0.000 1.255 609 Y CB -0.292 38.330 38.460 0.270 0.000 0.991 609 Y HN 0.134 nan 8.280 nan 0.000 0.552 610 L N -1.627 119.737 121.223 0.235 0.000 2.275 610 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 610 L C 1.661 178.701 176.870 0.284 0.000 1.119 610 L CA 0.939 55.904 54.840 0.208 0.000 0.790 610 L CB -0.694 41.377 42.059 0.020 0.000 0.919 610 L HN 0.275 nan 8.230 nan 0.000 0.443 611 Y N 0.612 121.017 120.300 0.176 0.000 2.256 611 Y HA -0.281 4.269 4.550 -0.000 0.000 0.288 611 Y C 2.277 178.247 175.900 0.115 0.000 1.155 611 Y CA 1.333 59.498 58.100 0.107 0.000 1.203 611 Y CB -0.538 37.908 38.460 -0.023 0.000 0.980 611 Y HN 0.248 nan 8.280 nan 0.000 0.530 612 D N -1.418 119.190 120.400 0.347 0.000 2.144 612 D HA -0.194 4.446 4.640 -0.000 0.000 0.199 612 D C 1.737 178.147 176.300 0.183 0.000 0.984 612 D CA 1.454 55.591 54.000 0.228 0.000 0.834 612 D CB -0.510 40.427 40.800 0.227 0.000 0.955 612 D HN 0.356 nan 8.370 nan 0.000 0.465 613 Y N 0.273 120.639 120.300 0.109 0.000 2.439 613 Y HA 0.159 4.709 4.550 -0.000 0.000 0.292 613 Y C 2.073 177.960 175.900 -0.022 0.000 1.130 613 Y CA 0.568 58.686 58.100 0.030 0.000 1.254 613 Y CB -0.214 38.229 38.460 -0.029 0.000 1.000 613 Y HN -0.077 nan 8.280 nan 0.000 0.554 614 A N -0.655 122.274 122.820 0.183 0.000 2.337 614 A HA 0.482 4.802 4.320 -0.000 0.000 0.227 614 A C 1.930 179.566 177.584 0.087 0.000 1.259 614 A CA 0.598 52.704 52.037 0.114 0.000 0.870 614 A CB -0.983 18.172 19.000 0.259 0.000 0.927 614 A HN 0.522 nan 8.150 nan 0.000 0.497 615 G N -0.895 107.943 108.800 0.063 0.000 2.148 615 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.254 615 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.254 615 G C 0.077 174.912 174.900 -0.108 0.000 0.981 615 G CA 0.445 45.568 45.100 0.039 0.000 0.670 615 G HN 0.623 nan 8.290 nan 0.000 0.528 616 Q N -0.310 119.299 119.800 -0.319 0.000 2.831 616 Q HA 0.211 4.551 4.340 -0.000 0.000 0.366 616 Q C -1.689 173.788 176.000 -0.871 0.000 0.899 616 Q CA -1.515 53.587 55.803 -1.167 0.000 0.987 616 Q CB 1.750 29.852 28.738 -1.060 0.000 1.382 616 Q HN 0.336 nan 8.270 nan 0.000 0.403 617 P HA -0.183 nan 4.420 nan 0.000 0.222 617 P C 0.786 178.098 177.300 0.020 0.000 1.147 617 P CA 1.024 64.106 63.100 -0.030 0.000 0.790 617 P CB -0.128 31.656 31.700 0.139 0.000 0.780 618 W N 1.273 122.627 121.300 0.091 0.000 2.392 618 W HA 0.027 4.687 4.660 -0.000 0.000 0.279 618 W C 1.775 178.380 176.519 0.143 0.000 1.225 618 W CA 0.752 58.177 57.345 0.134 0.000 1.233 618 W CB -1.438 27.986 29.460 -0.060 0.000 1.122 618 W HN -0.133 nan 8.180 nan 0.000 0.561 619 K N 0.727 120.856 120.400 -0.452 0.000 2.076 619 K HA 0.023 4.343 4.320 -0.000 0.000 0.204 619 K C 2.535 178.963 176.600 -0.287 0.000 1.051 619 K CA 1.219 57.189 56.287 -0.529 0.000 0.949 619 K CB -0.510 31.243 32.500 -1.245 0.000 0.726 619 K HN 0.199 nan 8.250 nan 0.000 0.443 620 A N 1.739 124.490 122.820 -0.115 0.000 1.908 620 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 620 A C 2.066 179.667 177.584 0.028 0.000 1.181 620 A CA 1.588 53.685 52.037 0.101 0.000 0.627 620 A CB -0.567 18.500 19.000 0.111 0.000 0.818 620 A HN 0.324 nan 8.150 nan 0.000 0.445 621 Q N -2.077 117.776 119.800 0.087 0.000 2.050 621 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 621 Q C 2.054 178.016 176.000 -0.063 0.000 0.980 621 Q CA 1.897 57.755 55.803 0.093 0.000 0.840 621 Q CB -0.428 28.483 28.738 0.288 0.000 0.898 621 Q HN 0.852 nan 8.270 nan 0.000 0.424 622 Y N -0.483 119.709 120.300 -0.180 0.000 2.128 622 Y HA -0.283 4.267 4.550 -0.000 0.000 0.284 622 Y C 1.553 177.046 175.900 -0.679 0.000 1.154 622 Y CA 1.720 59.484 58.100 -0.560 0.000 1.149 622 Y CB -0.285 37.880 38.460 -0.492 0.000 0.976 622 Y HN 0.138 nan 8.280 nan 0.000 0.505 623 W N -0.101 121.035 121.300 -0.273 0.000 2.453 623 W HA -0.052 4.608 4.660 -0.000 0.000 0.289 623 W C 2.214 178.516 176.519 -0.362 0.000 1.215 623 W CA 0.679 57.779 57.345 -0.407 0.000 1.297 623 W CB -0.301 28.909 29.460 -0.417 0.000 1.113 623 W HN 0.014 nan 8.180 nan 0.000 0.551 624 L N 0.210 121.408 121.223 -0.042 0.000 2.079 624 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 624 L C 2.586 179.389 176.870 -0.111 0.000 1.081 624 L CA 1.299 56.120 54.840 -0.033 0.000 0.752 624 L CB -0.691 41.283 42.059 -0.141 0.000 0.896 624 L HN -0.070 nan 8.230 nan 0.000 0.433 625 R N -0.264 120.041 120.500 -0.324 0.000 2.090 625 R HA -0.109 4.230 4.340 -0.000 0.000 0.228 625 R C 2.320 178.364 176.300 -0.426 0.000 1.110 625 R CA 1.114 56.963 56.100 -0.418 0.000 0.973 625 R CB -0.289 29.619 30.300 -0.654 0.000 0.869 625 R HN 0.273 nan 8.270 nan 0.000 0.440 626 Q N 0.050 119.511 119.800 -0.565 0.000 2.062 626 Q HA -0.164 4.176 4.340 -0.000 0.000 0.209 626 Q C 2.140 178.070 176.000 -0.117 0.000 0.996 626 Q CA 2.078 57.652 55.803 -0.382 0.000 0.859 626 Q CB -0.679 27.827 28.738 -0.386 0.000 0.920 626 Q HN 0.283 nan 8.270 nan 0.000 0.415 627 V N 1.084 120.977 119.914 -0.034 0.000 2.295 627 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 627 V C 2.451 178.650 176.094 0.175 0.000 1.049 627 V CA 1.823 64.137 62.300 0.024 0.000 1.024 627 V CB -0.562 31.205 31.823 -0.094 0.000 0.648 627 V HN 0.340 nan 8.190 nan 0.000 0.447 628 M N -0.418 119.301 119.600 0.199 0.000 2.149 628 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 628 M C 1.864 178.298 176.300 0.224 0.000 1.064 628 M CA 1.834 57.297 55.300 0.273 0.000 1.102 628 M CB -0.504 32.114 32.600 0.028 0.000 1.369 628 M HN 0.331 nan 8.290 nan 0.000 0.408 629 D N -0.499 119.928 120.400 0.045 0.000 2.194 629 D HA -0.038 4.602 4.640 -0.000 0.000 0.204 629 D C 1.914 178.237 176.300 0.038 0.000 0.964 629 D CA 1.079 55.080 54.000 0.002 0.000 0.846 629 D CB 0.098 40.834 40.800 -0.107 0.000 0.962 629 D HN 0.329 nan 8.370 nan 0.000 0.490 630 R N -1.079 119.452 120.500 0.051 0.000 2.257 630 R HA 0.249 4.589 4.340 -0.000 0.000 0.195 630 R C 1.594 177.922 176.300 0.047 0.000 0.921 630 R CA -0.010 56.109 56.100 0.033 0.000 1.069 630 R CB 0.323 30.628 30.300 0.009 0.000 1.115 630 R HN 0.011 nan 8.270 nan 0.000 0.571 631 M N -0.086 119.559 119.600 0.075 0.000 2.541 631 M HA 0.149 4.629 4.480 -0.000 0.000 0.252 631 M C -0.489 175.729 176.300 -0.137 0.000 1.125 631 M CA 0.765 56.048 55.300 -0.027 0.000 1.091 631 M CB 0.147 32.694 32.600 -0.089 0.000 1.420 631 M HN -0.059 nan 8.290 nan 0.000 0.486 632 Y N 0.129 120.435 120.300 0.009 0.000 2.338 632 Y HA 0.445 4.994 4.550 -0.000 0.000 0.333 632 Y C 0.496 176.318 175.900 -0.130 0.000 0.968 632 Y CA -1.210 56.836 58.100 -0.089 0.000 1.123 632 Y CB 1.398 39.761 38.460 -0.162 0.000 1.165 632 Y HN 0.002 nan 8.280 nan 0.000 0.452 633 T N -0.235 114.287 114.554 -0.053 0.000 2.906 633 T HA 0.428 4.778 4.350 -0.000 0.000 0.295 633 T C -2.580 172.046 174.700 -0.122 0.000 1.075 633 T CA -2.434 59.626 62.100 -0.066 0.000 1.005 633 T CB 2.625 71.461 68.868 -0.053 0.000 1.136 633 T HN 0.284 nan 8.240 nan 0.000 0.498 634 P HA 0.204 nan 4.420 nan 0.000 0.245 634 P C 0.923 178.178 177.300 -0.076 0.000 1.206 634 P CA 0.104 63.163 63.100 -0.068 0.000 0.781 634 P CB -0.178 31.523 31.700 0.001 0.000 0.994 635 G N 1.584 110.328 108.800 -0.095 0.000 2.535 635 G HA2 0.225 4.185 3.960 -0.000 0.000 0.282 635 G HA3 0.225 4.185 3.960 -0.000 0.000 0.282 635 G C -1.648 173.153 174.900 -0.165 0.000 1.350 635 G CA -1.126 43.898 45.100 -0.126 0.000 1.039 635 G HN -0.097 nan 8.290 nan 0.000 0.509 636 P HA 0.004 nan 4.420 nan 0.000 0.220 636 P C 0.430 177.648 177.300 -0.137 0.000 1.148 636 P CA 1.140 64.058 63.100 -0.303 0.000 0.803 636 P CB 0.162 31.315 31.700 -0.911 0.000 0.782 637 D N -1.347 118.976 120.400 -0.128 0.000 3.071 637 D HA 0.141 4.781 4.640 -0.000 0.000 0.259 637 D C 1.412 177.683 176.300 -0.048 0.000 1.331 637 D CA -0.543 53.433 54.000 -0.039 0.000 0.861 637 D CB -0.900 39.881 40.800 -0.032 0.000 1.059 637 D HN 0.020 nan 8.370 nan 0.000 0.486 638 G N -0.458 108.285 108.800 -0.095 0.000 2.448 638 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.218 638 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.218 638 G C 0.182 174.909 174.900 -0.287 0.000 1.135 638 G CA 0.319 45.286 45.100 -0.222 0.000 0.784 638 G HN 0.282 nan 8.290 nan 0.000 0.543 639 Y N -1.261 119.009 120.300 -0.050 0.000 2.458 639 Y HA 0.342 4.891 4.550 -0.000 0.000 0.322 639 Y C 1.619 177.440 175.900 -0.132 0.000 1.259 639 Y CA -0.928 57.090 58.100 -0.137 0.000 1.302 639 Y CB 1.071 39.485 38.460 -0.076 0.000 1.314 639 Y HN 0.053 nan 8.280 nan 0.000 0.509 640 C N -1.683 117.611 119.300 -0.009 0.000 2.855 640 C HA 0.819 5.279 4.460 -0.000 0.000 0.279 640 C C 0.677 175.676 174.990 0.014 0.000 1.270 640 C CA 0.092 59.096 59.018 -0.023 0.000 1.702 640 C CB -1.394 26.303 27.740 -0.073 0.000 1.949 640 C HN 0.976 nan 8.230 nan 0.000 0.618 641 G N -0.333 108.498 108.800 0.051 0.000 2.341 641 G HA2 0.377 4.337 3.960 -0.000 0.000 0.299 641 G HA3 0.377 4.337 3.960 -0.000 0.000 0.299 641 G C -2.216 172.723 174.900 0.064 0.000 1.274 641 G CA -0.576 44.569 45.100 0.076 0.000 0.853 641 G HN 0.055 nan 8.290 nan 0.000 0.493 642 D N 0.613 121.083 120.400 0.117 0.000 2.493 642 D HA 0.167 4.807 4.640 -0.000 0.000 0.240 642 D C 1.295 177.555 176.300 -0.068 0.000 1.142 642 D CA -0.101 53.954 54.000 0.092 0.000 0.872 642 D CB 1.677 42.626 40.800 0.247 0.000 1.173 642 D HN 0.426 nan 8.370 nan 0.000 0.467 643 E N 1.689 121.755 120.200 -0.223 0.000 2.106 643 E HA -0.171 4.178 4.350 -0.000 0.000 0.192 643 E C -0.436 176.086 176.600 -0.130 0.000 0.984 643 E CA 0.661 56.810 56.400 -0.418 0.000 0.806 643 E CB 0.124 29.441 29.700 -0.638 0.000 0.750 643 E HN 0.447 nan 8.360 nan 0.000 0.458 644 D N 0.487 120.874 120.400 -0.021 0.000 2.828 644 D HA -0.222 4.418 4.640 -0.000 0.000 0.241 644 D C -0.630 175.684 176.300 0.023 0.000 1.142 644 D CA 1.012 55.055 54.000 0.073 0.000 0.755 644 D CB -2.043 38.853 40.800 0.161 0.000 1.014 644 D HN 0.425 nan 8.370 nan 0.000 0.420 645 N N -1.124 117.528 118.700 -0.080 0.000 2.725 645 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 645 N C 1.116 176.705 175.510 0.132 0.000 1.103 645 N CA 1.599 54.588 53.050 -0.101 0.000 0.707 645 N CB -1.089 37.249 38.487 -0.249 0.000 1.043 645 N HN 0.800 nan 8.380 nan 0.000 0.553 646 G N -1.320 107.552 108.800 0.120 0.000 2.278 646 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.210 646 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.210 646 G C 0.656 175.661 174.900 0.174 0.000 1.000 646 G CA 0.728 45.921 45.100 0.154 0.000 0.635 646 G HN 0.468 nan 8.290 nan 0.000 0.495 647 Q N 1.109 121.002 119.800 0.155 0.000 2.016 647 Q HA 0.065 4.405 4.340 -0.000 0.000 0.200 647 Q C 2.403 178.571 176.000 0.279 0.000 0.978 647 Q CA 3.056 58.975 55.803 0.193 0.000 0.833 647 Q CB -0.881 27.928 28.738 0.119 0.000 0.895 647 Q HN 0.415 nan 8.270 nan 0.000 0.427 648 T N 0.105 114.779 114.554 0.200 0.000 2.962 648 T HA -0.035 4.315 4.350 -0.000 0.000 0.270 648 T C 1.771 176.809 174.700 0.564 0.000 1.088 648 T CA 1.172 63.449 62.100 0.293 0.000 1.127 648 T CB -0.179 68.727 68.868 0.065 0.000 0.883 648 T HN 0.284 nan 8.240 nan 0.000 0.493 649 S N 1.392 117.347 115.700 0.426 0.000 2.388 649 S HA 0.143 4.613 4.470 -0.000 0.000 0.223 649 S C 2.568 177.414 174.600 0.411 0.000 1.034 649 S CA 0.660 59.153 58.200 0.487 0.000 0.963 649 S CB -0.351 63.061 63.200 0.352 0.000 0.827 649 S HN 0.557 nan 8.310 nan 0.000 0.481 650 A N 0.426 123.458 122.820 0.353 0.000 2.015 650 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 650 A C 1.729 179.606 177.584 0.487 0.000 1.163 650 A CA 0.923 53.145 52.037 0.308 0.000 0.646 650 A CB -0.958 18.209 19.000 0.278 0.000 0.806 650 A HN 0.682 nan 8.150 nan 0.000 0.448 651 W N -0.604 120.968 121.300 0.453 0.000 2.318 651 W HA -0.301 4.359 4.660 -0.000 0.000 0.313 651 W C 2.041 178.823 176.519 0.438 0.000 1.221 651 W CA 2.293 59.985 57.345 0.578 0.000 1.266 651 W CB -0.451 29.349 29.460 0.567 0.000 1.150 651 W HN 0.472 nan 8.180 nan 0.000 0.496 652 Y N 0.041 120.643 120.300 0.505 0.000 2.163 652 Y HA -0.265 4.285 4.550 -0.000 0.000 0.288 652 Y C 2.370 178.270 175.900 -0.001 0.000 1.136 652 Y CA 2.676 60.830 58.100 0.090 0.000 1.147 652 Y CB -0.891 37.400 38.460 -0.282 0.000 0.987 652 Y HN -0.187 nan 8.280 nan 0.000 0.509 653 V N -0.053 119.902 119.914 0.069 0.000 2.231 653 V HA -0.369 3.751 4.120 -0.000 0.000 0.248 653 V C 2.166 178.203 176.094 -0.094 0.000 1.054 653 V CA 2.304 64.491 62.300 -0.187 0.000 1.015 653 V CB -1.009 30.603 31.823 -0.351 0.000 0.638 653 V HN 0.358 nan 8.190 nan 0.000 0.444 654 F N 0.937 120.831 119.950 -0.093 0.000 2.069 654 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 654 F C 2.756 178.358 175.800 -0.329 0.000 1.113 654 F CA 2.067 59.944 58.000 -0.205 0.000 1.214 654 F CB -0.898 38.061 39.000 -0.069 0.000 0.978 654 F HN 0.053 nan 8.300 nan 0.000 0.474 655 S N -0.256 115.335 115.700 -0.181 0.000 2.382 655 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 655 S C 2.290 176.699 174.600 -0.319 0.000 1.027 655 S CA 0.976 58.960 58.200 -0.360 0.000 0.991 655 S CB -0.762 61.910 63.200 -0.881 0.000 0.823 655 S HN 0.380 nan 8.310 nan 0.000 0.469 656 A N 1.241 123.844 122.820 -0.363 0.000 2.019 656 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 656 A C 2.018 179.518 177.584 -0.139 0.000 1.164 656 A CA 0.907 52.774 52.037 -0.284 0.000 0.644 656 A CB -0.595 18.308 19.000 -0.161 0.000 0.805 656 A HN 0.464 nan 8.150 nan 0.000 0.449 657 L N -1.879 119.232 121.223 -0.186 0.000 2.217 657 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 657 L C 1.853 178.513 176.870 -0.349 0.000 1.107 657 L CA 1.001 55.649 54.840 -0.321 0.000 0.783 657 L CB -0.259 41.439 42.059 -0.601 0.000 0.919 657 L HN 0.618 nan 8.230 nan 0.000 0.442 658 G N -0.429 108.190 108.800 -0.301 0.000 2.183 658 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.168 658 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.168 658 G C -0.058 174.968 174.900 0.211 0.000 1.008 658 G CA -0.105 44.984 45.100 -0.018 0.000 0.677 658 G HN 0.286 nan 8.290 nan 0.000 0.498 659 F N -2.145 117.924 119.950 0.198 0.000 2.741 659 F HA 0.828 5.355 4.527 -0.000 0.000 0.311 659 F C -1.190 174.677 175.800 0.112 0.000 1.149 659 F CA -2.623 55.499 58.000 0.203 0.000 0.930 659 F CB 1.047 40.154 39.000 0.178 0.000 1.312 659 F HN 0.264 nan 8.300 nan 0.000 0.450 660 Y N 1.402 121.674 120.300 -0.046 0.000 2.482 660 Y HA 0.543 5.093 4.550 -0.000 0.000 0.334 660 Y C -2.820 172.841 175.900 -0.399 0.000 1.091 660 Y CA -2.320 55.451 58.100 -0.550 0.000 1.027 660 Y CB 3.197 40.930 38.460 -1.211 0.000 1.306 660 Y HN 0.457 nan 8.280 nan 0.000 0.446 661 P HA 0.042 nan 4.420 nan 0.000 0.235 661 P C 0.703 177.755 177.300 -0.413 0.000 1.765 661 P CA 0.404 63.111 63.100 -0.655 0.000 1.034 661 P CB 0.247 31.514 31.700 -0.720 0.000 1.984 662 V N 0.456 120.347 119.914 -0.038 0.000 2.317 662 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 662 V C 1.493 177.631 176.094 0.072 0.000 1.065 662 V CA 1.856 64.284 62.300 0.213 0.000 1.049 662 V CB -0.498 31.528 31.823 0.338 0.000 0.651 662 V HN 0.524 nan 8.190 nan 0.000 0.450 663 C N 1.778 121.067 119.300 -0.019 0.000 3.002 663 C HA 0.516 4.976 4.460 -0.000 0.000 0.248 663 C C -2.630 172.353 174.990 -0.011 0.000 1.153 663 C CA -2.200 56.792 59.018 -0.044 0.000 1.502 663 C CB -0.275 27.442 27.740 -0.038 0.000 1.805 663 C HN 0.294 nan 8.230 nan 0.000 0.450 664 P HA 0.318 nan 4.420 nan 0.000 0.266 664 P C 0.916 178.342 177.300 0.210 0.000 1.195 664 P CA 1.996 65.125 63.100 0.049 0.000 0.768 664 P CB 0.552 32.312 31.700 0.100 0.000 0.838 665 G N 0.868 109.724 108.800 0.094 0.000 2.307 665 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.210 665 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.210 665 G C 0.394 175.365 174.900 0.119 0.000 1.005 665 G CA 0.262 45.440 45.100 0.130 0.000 0.634 665 G HN 0.825 nan 8.290 nan 0.000 0.496 666 T N -0.750 113.877 114.554 0.121 0.000 2.884 666 T HA 0.532 4.882 4.350 -0.000 0.000 0.277 666 T C 0.657 175.264 174.700 -0.154 0.000 0.976 666 T CA 0.623 62.693 62.100 -0.050 0.000 0.956 666 T CB 1.717 70.501 68.868 -0.138 0.000 1.113 666 T HN 0.358 nan 8.240 nan 0.000 0.554 667 D N -1.342 118.969 120.400 -0.149 0.000 2.427 667 D HA 0.141 4.781 4.640 -0.000 0.000 0.224 667 D C -0.043 176.161 176.300 -0.159 0.000 1.157 667 D CA -0.364 53.541 54.000 -0.157 0.000 0.828 667 D CB -0.194 40.572 40.800 -0.057 0.000 0.974 667 D HN 0.701 nan 8.370 nan 0.000 0.498 668 E N -0.141 119.915 120.200 -0.241 0.000 2.191 668 E HA 0.370 4.720 4.350 -0.000 0.000 0.274 668 E C -1.049 175.305 176.600 -0.409 0.000 0.948 668 E CA -0.842 55.468 56.400 -0.149 0.000 0.802 668 E CB 1.395 31.047 29.700 -0.081 0.000 1.137 668 E HN 0.124 nan 8.360 nan 0.000 0.397 669 Y N 0.514 120.852 120.300 0.063 0.000 2.341 669 Y HA 0.296 4.846 4.550 -0.000 0.000 0.338 669 Y C -0.060 175.919 175.900 0.132 0.000 0.965 669 Y CA -0.958 57.161 58.100 0.032 0.000 1.108 669 Y CB 1.221 39.673 38.460 -0.013 0.000 1.180 669 Y HN 0.206 nan 8.280 nan 0.000 0.458 670 V N 4.687 124.745 119.914 0.240 0.000 2.607 670 V HA 0.197 4.317 4.120 -0.000 0.000 0.289 670 V C 0.189 176.513 176.094 0.382 0.000 1.053 670 V CA -0.741 61.734 62.300 0.292 0.000 0.996 670 V CB 1.299 33.304 31.823 0.303 0.000 0.995 670 V HN 0.736 nan 8.190 nan 0.000 0.476 671 M N 3.747 123.592 119.600 0.409 0.000 2.211 671 M HA 0.552 5.032 4.480 -0.000 0.000 0.356 671 M C 0.550 177.149 176.300 0.497 0.000 1.216 671 M CA 0.652 56.210 55.300 0.429 0.000 1.134 671 M CB 1.000 33.789 32.600 0.315 0.000 1.564 671 M HN 0.779 nan 8.290 nan 0.000 0.463 672 G N 1.052 110.134 108.800 0.469 0.000 3.069 672 G HA2 0.485 4.445 3.960 -0.000 0.000 0.205 672 G HA3 0.485 4.445 3.960 -0.000 0.000 0.205 672 G C -0.970 174.032 174.900 0.170 0.000 1.771 672 G CA -0.029 45.242 45.100 0.286 0.000 0.739 672 G HN 0.641 nan 8.290 nan 0.000 0.784 673 T N 1.945 116.552 114.554 0.089 0.000 3.172 673 T HA 0.584 4.934 4.350 -0.000 0.000 0.320 673 T C -3.041 171.650 174.700 -0.015 0.000 1.085 673 T CA -1.040 61.092 62.100 0.053 0.000 1.052 673 T CB 2.138 71.030 68.868 0.041 0.000 1.107 673 T HN 0.234 nan 8.240 nan 0.000 0.458 674 P HA 0.247 nan 4.420 nan 0.000 0.274 674 P C 0.348 177.567 177.300 -0.135 0.000 1.231 674 P CA -0.556 62.505 63.100 -0.065 0.000 0.790 674 P CB 1.188 32.879 31.700 -0.014 0.000 0.951 675 L N 1.074 122.149 121.223 -0.246 0.000 2.408 675 L HA 0.335 4.675 4.340 -0.000 0.000 0.215 675 L C 0.455 176.979 176.870 -0.576 0.000 1.081 675 L CA 0.930 55.487 54.840 -0.471 0.000 0.840 675 L CB -0.309 41.308 42.059 -0.737 0.000 1.002 675 L HN 0.155 nan 8.230 nan 0.000 0.468 676 F N -0.592 119.264 119.950 -0.156 0.000 2.450 676 F HA 0.347 4.874 4.527 -0.000 0.000 0.328 676 F C 1.598 177.347 175.800 -0.084 0.000 1.068 676 F CA -0.559 57.363 58.000 -0.131 0.000 1.007 676 F CB 0.766 39.665 39.000 -0.167 0.000 1.251 676 F HN -0.340 nan 8.300 nan 0.000 0.492 677 K N 0.071 120.568 120.400 0.161 0.000 2.217 677 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 677 K C 0.209 176.848 176.600 0.065 0.000 1.051 677 K CA 1.133 57.468 56.287 0.081 0.000 0.952 677 K CB 0.226 32.768 32.500 0.071 0.000 0.736 677 K HN 0.377 nan 8.250 nan 0.000 0.453 678 K N -0.397 120.048 120.400 0.074 0.000 2.523 678 K HA 0.471 4.791 4.320 -0.000 0.000 0.257 678 K C -2.110 174.458 176.600 -0.053 0.000 0.932 678 K CA -0.560 55.734 56.287 0.011 0.000 0.812 678 K CB 2.196 34.699 32.500 0.004 0.000 1.326 678 K HN -0.026 nan 8.250 nan 0.000 0.433 679 A N 2.008 124.775 122.820 -0.087 0.000 2.398 679 A HA 0.608 4.928 4.320 -0.000 0.000 0.301 679 A C -1.217 176.263 177.584 -0.174 0.000 1.041 679 A CA -0.587 51.344 52.037 -0.177 0.000 0.711 679 A CB 1.796 20.685 19.000 -0.184 0.000 1.240 679 A HN 0.523 nan 8.150 nan 0.000 0.420 680 T N 3.369 117.779 114.554 -0.240 0.000 2.786 680 T HA 0.541 4.891 4.350 -0.000 0.000 0.283 680 T C -0.373 174.000 174.700 -0.546 0.000 0.992 680 T CA -0.219 61.680 62.100 -0.335 0.000 0.954 680 T CB 0.532 69.217 68.868 -0.306 0.000 0.934 680 T HN 0.474 nan 8.240 nan 0.000 0.440 681 L N 4.320 125.201 121.223 -0.570 0.000 2.289 681 L HA 0.467 4.807 4.340 -0.000 0.000 0.285 681 L C 0.045 176.309 176.870 -1.010 0.000 1.049 681 L CA -0.970 53.419 54.840 -0.751 0.000 0.804 681 L CB 0.629 42.261 42.059 -0.711 0.000 1.195 681 L HN 0.571 nan 8.230 nan 0.000 0.428 682 H N 3.923 122.649 119.070 -0.574 0.000 2.638 682 H HA 0.345 4.901 4.556 -0.000 0.000 0.303 682 H C -0.488 174.536 175.328 -0.508 0.000 1.034 682 H CA -0.567 55.203 56.048 -0.464 0.000 1.225 682 H CB 0.728 30.344 29.762 -0.243 0.000 1.394 682 H HN 0.287 nan 8.280 nan 0.000 0.477 683 F N 0.756 120.655 119.950 -0.084 0.000 2.380 683 F HA 0.106 4.633 4.527 -0.000 0.000 0.325 683 F C 1.959 177.626 175.800 -0.222 0.000 1.136 683 F CA -0.503 57.355 58.000 -0.237 0.000 1.171 683 F CB 0.890 39.608 39.000 -0.470 0.000 1.230 683 F HN 0.459 nan 8.300 nan 0.000 0.554 684 E N 0.347 120.515 120.200 -0.054 0.000 2.338 684 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 684 E C 1.271 177.823 176.600 -0.080 0.000 1.007 684 E CA 0.999 57.368 56.400 -0.052 0.000 0.849 684 E CB -0.345 29.341 29.700 -0.022 0.000 0.774 684 E HN 0.687 nan 8.360 nan 0.000 0.506 685 N N -0.317 118.280 118.700 -0.171 0.000 2.521 685 N HA -0.045 4.695 4.740 -0.000 0.000 0.188 685 N C 1.242 176.717 175.510 -0.060 0.000 1.146 685 N CA 0.463 53.431 53.050 -0.137 0.000 0.893 685 N CB 0.366 38.714 38.487 -0.232 0.000 0.975 685 N HN 0.121 nan 8.380 nan 0.000 0.451 686 G N 0.114 108.899 108.800 -0.026 0.000 2.195 686 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.246 686 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.246 686 G C -0.272 174.649 174.900 0.035 0.000 0.984 686 G CA -0.152 44.949 45.100 0.002 0.000 0.633 686 G HN 0.436 nan 8.290 nan 0.000 0.525 687 N N 0.585 119.326 118.700 0.069 0.000 2.493 687 N HA 0.677 5.417 4.740 -0.000 0.000 0.275 687 N C -0.254 175.361 175.510 0.176 0.000 1.186 687 N CA 0.232 53.359 53.050 0.129 0.000 0.978 687 N CB 1.482 40.057 38.487 0.148 0.000 1.184 687 N HN 0.222 nan 8.380 nan 0.000 0.487 688 S N 0.341 116.123 115.700 0.137 0.000 2.542 688 S HA 0.591 5.061 4.470 -0.000 0.000 0.293 688 S C -1.080 173.548 174.600 0.046 0.000 1.089 688 S CA -0.624 57.586 58.200 0.017 0.000 0.961 688 S CB 1.771 65.031 63.200 0.101 0.000 1.062 688 S HN 0.421 nan 8.310 nan 0.000 0.483 689 L N 2.958 124.135 121.223 -0.076 0.000 2.372 689 L HA 0.667 5.007 4.340 -0.000 0.000 0.274 689 L C -1.359 175.472 176.870 -0.066 0.000 0.988 689 L CA -0.445 54.419 54.840 0.040 0.000 0.833 689 L CB 1.405 43.595 42.059 0.220 0.000 1.236 689 L HN 0.460 nan 8.230 nan 0.000 0.410 690 V N 6.680 126.576 119.914 -0.029 0.000 2.407 690 V HA 0.416 4.536 4.120 -0.000 0.000 0.278 690 V C 0.189 176.258 176.094 -0.042 0.000 1.037 690 V CA -0.212 62.059 62.300 -0.049 0.000 0.900 690 V CB 1.440 33.252 31.823 -0.020 0.000 0.983 690 V HN 0.600 nan 8.190 nan 0.000 0.459 691 I N 4.194 124.735 120.570 -0.047 0.000 2.337 691 I HA 0.333 4.503 4.170 -0.000 0.000 0.285 691 I C -0.483 175.623 176.117 -0.019 0.000 1.041 691 I CA -0.154 61.126 61.300 -0.034 0.000 1.199 691 I CB 1.130 39.129 38.000 -0.001 0.000 1.370 691 I HN 0.542 nan 8.210 nan 0.000 0.470 692 D N 5.645 126.037 120.400 -0.014 0.000 2.329 692 D HA 0.597 5.237 4.640 -0.000 0.000 0.232 692 D C -0.214 176.091 176.300 0.008 0.000 1.088 692 D CA -0.081 53.919 54.000 0.000 0.000 0.835 692 D CB 1.445 42.248 40.800 0.005 0.000 1.078 692 D HN 0.598 nan 8.370 nan 0.000 0.495 693 A N 4.747 127.576 122.820 0.014 0.000 3.355 693 A HA 0.328 4.648 4.320 -0.000 0.000 0.290 693 A C -1.875 175.718 177.584 0.015 0.000 0.973 693 A CA -0.850 51.196 52.037 0.015 0.000 0.933 693 A CB 0.635 19.645 19.000 0.016 0.000 1.138 693 A HN 0.401 nan 8.150 nan 0.000 0.490 694 P HA -0.144 nan 4.420 nan 0.000 0.222 694 P C 0.667 177.972 177.300 0.008 0.000 1.147 694 P CA 1.222 64.331 63.100 0.015 0.000 0.790 694 P CB 0.213 31.921 31.700 0.014 0.000 0.780 695 N N -0.553 118.148 118.700 0.002 0.000 2.268 695 N HA 0.002 4.742 4.740 -0.000 0.000 0.204 695 N C 0.329 175.829 175.510 -0.017 0.000 1.124 695 N CA -0.259 52.786 53.050 -0.008 0.000 0.838 695 N CB -0.789 37.692 38.487 -0.010 0.000 0.994 695 N HN -0.097 nan 8.380 nan 0.000 0.489 696 N N 0.392 119.084 118.700 -0.013 0.000 2.441 696 N HA 0.072 4.812 4.740 -0.000 0.000 0.251 696 N C -0.558 174.930 175.510 -0.037 0.000 1.242 696 N CA 0.476 53.510 53.050 -0.027 0.000 0.898 696 N CB 0.604 39.075 38.487 -0.027 0.000 1.100 696 N HN 0.363 nan 8.380 nan 0.000 0.443 697 S N -0.352 115.318 115.700 -0.050 0.000 2.656 697 S HA 0.193 4.663 4.470 -0.000 0.000 0.265 697 S C 0.748 175.323 174.600 -0.041 0.000 1.132 697 S CA -0.353 57.817 58.200 -0.050 0.000 0.819 697 S CB 0.029 63.203 63.200 -0.042 0.000 1.119 697 S HN 0.372 nan 8.310 nan 0.000 0.476 698 T N 1.389 115.922 114.554 -0.037 0.000 2.759 698 T HA -0.056 4.294 4.350 -0.000 0.000 0.269 698 T C 1.218 175.956 174.700 0.064 0.000 1.042 698 T CA 2.331 64.425 62.100 -0.011 0.000 1.140 698 T CB -0.524 68.330 68.868 -0.024 0.000 0.864 698 T HN 0.684 nan 8.240 nan 0.000 0.455 699 E N 0.986 121.186 120.200 -0.000 0.000 2.276 699 E HA 0.115 4.465 4.350 -0.000 0.000 0.193 699 E C 0.526 176.954 176.600 -0.288 0.000 0.983 699 E CA 0.276 56.637 56.400 -0.065 0.000 0.861 699 E CB -0.050 29.605 29.700 -0.075 0.000 0.817 699 E HN 0.533 nan 8.360 nan 0.000 0.485 700 N N 1.012 119.599 118.700 -0.189 0.000 3.034 700 N HA 0.104 4.844 4.740 -0.000 0.000 0.265 700 N C -0.544 174.844 175.510 -0.203 0.000 1.166 700 N CA -0.244 52.665 53.050 -0.236 0.000 1.081 700 N CB 0.159 38.578 38.487 -0.113 0.000 1.378 700 N HN 0.151 nan 8.380 nan 0.000 0.520 701 F N -1.755 118.073 119.950 -0.204 0.000 2.682 701 F HA 0.405 4.932 4.527 -0.000 0.000 0.308 701 F C -0.299 175.354 175.800 -0.245 0.000 1.093 701 F CA -0.932 56.907 58.000 -0.267 0.000 1.244 701 F CB -0.356 38.420 39.000 -0.375 0.000 1.052 701 F HN 0.016 nan 8.300 nan 0.000 0.573 702 Y N 2.003 122.248 120.300 -0.093 0.000 2.301 702 Y HA 0.469 5.019 4.550 -0.000 0.000 0.325 702 Y C 0.426 176.341 175.900 0.024 0.000 1.203 702 Y CA -1.698 56.416 58.100 0.024 0.000 1.255 702 Y CB 0.757 39.180 38.460 -0.061 0.000 1.232 702 Y HN -0.109 nan 8.280 nan 0.000 0.501 703 I N 2.781 123.507 120.570 0.259 0.000 2.301 703 I HA 0.045 4.215 4.170 -0.000 0.000 0.292 703 I C 0.535 176.727 176.117 0.125 0.000 1.046 703 I CA 0.127 61.524 61.300 0.162 0.000 1.282 703 I CB 0.997 39.094 38.000 0.162 0.000 1.409 703 I HN 0.721 nan 8.210 nan 0.000 0.484 704 D N 3.858 124.303 120.400 0.076 0.000 2.120 704 D HA -0.053 4.587 4.640 -0.000 0.000 0.202 704 D C 0.516 176.841 176.300 0.042 0.000 0.972 704 D CA 0.940 54.962 54.000 0.036 0.000 0.837 704 D CB 0.505 41.310 40.800 0.009 0.000 0.989 704 D HN 0.581 nan 8.370 nan 0.000 0.469 705 S N -1.794 113.937 115.700 0.053 0.000 2.615 705 S HA 0.600 5.070 4.470 -0.000 0.000 0.269 705 S C -0.952 173.691 174.600 0.073 0.000 1.161 705 S CA -1.072 57.164 58.200 0.060 0.000 0.817 705 S CB 1.576 64.802 63.200 0.043 0.000 1.131 705 S HN 0.028 nan 8.310 nan 0.000 0.467 706 M N 1.918 121.573 119.600 0.091 0.000 2.501 706 M HA 0.598 5.078 4.480 -0.000 0.000 0.293 706 M C -1.264 175.109 176.300 0.121 0.000 1.192 706 M CA -0.443 54.918 55.300 0.101 0.000 0.886 706 M CB 2.705 35.393 32.600 0.147 0.000 1.710 706 M HN 1.017 nan 8.290 nan 0.000 0.457 707 S N 1.415 117.173 115.700 0.096 0.000 2.538 707 S HA 0.719 5.189 4.470 -0.000 0.000 0.288 707 S C -1.431 173.254 174.600 0.143 0.000 1.108 707 S CA -0.714 57.564 58.200 0.130 0.000 0.971 707 S CB 2.024 65.282 63.200 0.097 0.000 1.041 707 S HN 0.542 nan 8.310 nan 0.000 0.483 708 F N 2.796 122.746 119.950 0.000 0.000 2.382 708 F HA 0.477 5.004 4.527 -0.000 0.000 0.361 708 F C 0.311 176.102 175.800 -0.016 0.000 1.109 708 F CA -1.406 56.560 58.000 -0.057 0.000 1.031 708 F CB -0.352 38.556 39.000 -0.154 0.000 1.234 708 F HN 0.973 nan 8.300 nan 0.000 0.445 709 N N 4.045 122.968 118.700 0.372 0.000 2.705 709 N HA -0.206 4.534 4.740 -0.000 0.000 0.255 709 N C 1.066 176.632 175.510 0.093 0.000 1.008 709 N CA 0.818 53.969 53.050 0.168 0.000 0.742 709 N CB -0.906 37.624 38.487 0.072 0.000 0.906 709 N HN 1.138 nan 8.380 nan 0.000 0.541 710 G N -1.521 107.338 108.800 0.099 0.000 2.363 710 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.238 710 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.238 710 G C 0.306 175.250 174.900 0.072 0.000 1.062 710 G CA 0.385 45.527 45.100 0.069 0.000 0.629 710 G HN 1.071 nan 8.290 nan 0.000 0.514 711 A N 0.781 123.649 122.820 0.081 0.000 2.363 711 A HA 0.535 4.855 4.320 -0.000 0.000 0.270 711 A C 0.285 177.943 177.584 0.123 0.000 1.121 711 A CA 0.161 52.244 52.037 0.077 0.000 0.800 711 A CB 0.342 19.371 19.000 0.047 0.000 1.052 711 A HN 0.356 nan 8.150 nan 0.000 0.493 712 D N 0.658 121.116 120.400 0.096 0.000 2.472 712 D HA -0.012 4.628 4.640 -0.000 0.000 0.237 712 D C -0.480 175.915 176.300 0.160 0.000 1.141 712 D CA 1.111 55.174 54.000 0.106 0.000 0.875 712 D CB 0.218 41.054 40.800 0.060 0.000 1.192 712 D HN 0.604 nan 8.370 nan 0.000 0.450 713 H N 1.959 121.061 119.070 0.053 0.000 2.854 713 H HA 0.112 4.668 4.556 -0.000 0.000 0.275 713 H C 0.540 175.882 175.328 0.024 0.000 1.198 713 H CA -0.192 55.882 56.048 0.044 0.000 1.489 713 H CB 0.647 30.459 29.762 0.082 0.000 1.519 713 H HN 0.377 nan 8.280 nan 0.000 0.503 714 T N 0.578 115.027 114.554 -0.175 0.000 3.081 714 T HA 0.158 4.508 4.350 -0.000 0.000 0.250 714 T C 0.633 175.221 174.700 -0.186 0.000 1.100 714 T CA -0.273 61.765 62.100 -0.104 0.000 1.038 714 T CB 0.368 69.209 68.868 -0.045 0.000 0.962 714 T HN 0.332 nan 8.240 nan 0.000 0.516 715 K N 1.945 122.054 120.400 -0.485 0.000 2.355 715 K HA 0.171 4.491 4.320 -0.000 0.000 0.270 715 K C 0.006 176.488 176.600 -0.196 0.000 1.003 715 K CA 0.010 56.040 56.287 -0.429 0.000 0.957 715 K CB 0.262 32.267 32.500 -0.826 0.000 0.939 715 K HN 0.268 nan 8.250 nan 0.000 0.482 716 N N 1.173 119.881 118.700 0.014 0.000 2.362 716 N HA 0.025 4.765 4.740 -0.000 0.000 0.211 716 N C -1.223 174.446 175.510 0.265 0.000 1.170 716 N CA -0.103 53.035 53.050 0.146 0.000 0.828 716 N CB -0.104 38.463 38.487 0.134 0.000 1.034 716 N HN 0.435 nan 8.380 nan 0.000 0.475 717 Y N -2.318 118.070 120.300 0.147 0.000 2.592 717 Y HA 0.558 5.108 4.550 -0.000 0.000 0.334 717 Y C -1.719 174.338 175.900 0.260 0.000 1.136 717 Y CA -1.518 56.682 58.100 0.166 0.000 1.042 717 Y CB 0.836 39.346 38.460 0.083 0.000 1.325 717 Y HN -0.291 nan 8.280 nan 0.000 0.457 718 L N 3.140 124.514 121.223 0.253 0.000 2.322 718 L HA 0.718 5.058 4.340 -0.000 0.000 0.269 718 L C -0.275 176.786 176.870 0.320 0.000 1.012 718 L CA -1.188 53.742 54.840 0.150 0.000 0.815 718 L CB 2.018 43.979 42.059 -0.163 0.000 1.295 718 L HN 0.688 nan 8.230 nan 0.000 0.438 719 R N -0.609 120.054 120.500 0.272 0.000 2.460 719 R HA 0.228 4.568 4.340 -0.000 0.000 0.303 719 R C 0.396 176.812 176.300 0.194 0.000 0.968 719 R CA -0.733 55.522 56.100 0.258 0.000 0.889 719 R CB 1.637 32.065 30.300 0.213 0.000 1.123 719 R HN 0.538 nan 8.270 nan 0.000 0.455 720 H N 2.078 121.213 119.070 0.109 0.000 2.319 720 H HA -0.205 4.351 4.556 -0.000 0.000 0.297 720 H C 0.960 176.120 175.328 -0.280 0.000 1.097 720 H CA 2.406 58.424 56.048 -0.050 0.000 1.285 720 H CB 0.494 30.180 29.762 -0.127 0.000 1.368 720 H HN 0.632 nan 8.280 nan 0.000 0.495 721 E N 0.046 120.217 120.200 -0.048 0.000 2.085 721 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 721 E C 1.917 178.483 176.600 -0.058 0.000 0.994 721 E CA 1.480 57.843 56.400 -0.063 0.000 0.801 721 E CB -0.086 29.617 29.700 0.006 0.000 0.743 721 E HN 0.601 nan 8.360 nan 0.000 0.453 722 D N -0.010 120.375 120.400 -0.026 0.000 2.117 722 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 722 D C 2.023 178.375 176.300 0.088 0.000 0.982 722 D CA 0.681 54.668 54.000 -0.022 0.000 0.828 722 D CB -0.242 40.540 40.800 -0.029 0.000 0.967 722 D HN 0.159 nan 8.370 nan 0.000 0.464 723 L N -0.044 121.198 121.223 0.032 0.000 2.012 723 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 723 L C 2.395 179.182 176.870 -0.139 0.000 1.073 723 L CA 0.889 55.722 54.840 -0.012 0.000 0.748 723 L CB -0.544 41.379 42.059 -0.225 0.000 0.891 723 L HN -0.031 nan 8.230 nan 0.000 0.431 724 F N 0.953 120.515 119.950 -0.647 0.000 2.307 724 F HA -0.196 4.331 4.527 -0.000 0.000 0.301 724 F C 2.363 178.024 175.800 -0.232 0.000 1.076 724 F CA 1.056 58.650 58.000 -0.678 0.000 1.383 724 F CB -0.767 37.928 39.000 -0.508 0.000 1.055 724 F HN 0.086 nan 8.300 nan 0.000 0.526 725 K N -0.140 120.297 120.400 0.062 0.000 2.362 725 K HA 0.157 4.477 4.320 -0.000 0.000 0.200 725 K C 1.361 178.028 176.600 0.111 0.000 1.046 725 K CA 0.558 56.880 56.287 0.058 0.000 0.952 725 K CB -0.487 32.014 32.500 0.003 0.000 0.753 725 K HN 0.342 nan 8.250 nan 0.000 0.466 726 G N 0.208 109.129 108.800 0.202 0.000 2.693 726 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.226 726 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.226 726 G C 0.308 175.343 174.900 0.225 0.000 1.354 726 G CA -0.327 44.932 45.100 0.265 0.000 0.873 726 G HN 0.670 nan 8.290 nan 0.000 0.562 727 G N -3.055 105.852 108.800 0.177 0.000 2.501 727 G HA2 0.500 4.460 3.960 -0.000 0.000 0.213 727 G HA3 0.500 4.460 3.960 -0.000 0.000 0.213 727 G C -0.129 174.855 174.900 0.140 0.000 1.158 727 G CA 0.625 45.818 45.100 0.155 0.000 1.079 727 G HN 2.425 nan 8.290 nan 0.000 0.586 728 T N 0.459 115.110 114.554 0.161 0.000 2.971 728 T HA 0.639 4.989 4.350 -0.000 0.000 0.304 728 T C -0.443 174.292 174.700 0.058 0.000 1.038 728 T CA -0.276 61.875 62.100 0.084 0.000 1.007 728 T CB 1.766 70.673 68.868 0.065 0.000 1.055 728 T HN 0.656 nan 8.240 nan 0.000 0.451 729 I N 2.951 123.469 120.570 -0.086 0.000 2.339 729 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 729 I C -0.072 176.001 176.117 -0.073 0.000 0.994 729 I CA -0.749 60.437 61.300 -0.189 0.000 1.191 729 I CB 1.392 39.142 38.000 -0.416 0.000 1.343 729 I HN 0.329 nan 8.210 nan 0.000 0.458 730 K N 5.815 126.200 120.400 -0.026 0.000 2.213 730 K HA 0.585 4.905 4.320 -0.000 0.000 0.270 730 K C -1.157 175.448 176.600 0.008 0.000 1.002 730 K CA -0.605 55.683 56.287 0.002 0.000 0.868 730 K CB 2.014 34.528 32.500 0.023 0.000 1.093 730 K HN 0.279 nan 8.250 nan 0.000 0.454 731 V N 2.050 121.972 119.914 0.013 0.000 2.350 731 V HA 0.114 4.234 4.120 -0.000 0.000 0.285 731 V C -0.586 175.526 176.094 0.029 0.000 1.014 731 V CA -0.965 61.352 62.300 0.029 0.000 0.831 731 V CB 1.223 33.066 31.823 0.034 0.000 1.000 731 V HN 0.686 nan 8.190 nan 0.000 0.433 732 D N 5.790 126.210 120.400 0.034 0.000 2.336 732 D HA 0.322 4.962 4.640 -0.000 0.000 0.249 732 D C 0.016 176.333 176.300 0.027 0.000 1.213 732 D CA -0.185 53.830 54.000 0.025 0.000 0.870 732 D CB 0.620 41.433 40.800 0.021 0.000 1.076 732 D HN 0.249 nan 8.370 nan 0.000 0.483 733 M N 2.064 121.673 119.600 0.015 0.000 2.342 733 M HA 0.383 4.863 4.480 -0.000 0.000 0.332 733 M C 0.123 176.417 176.300 -0.010 0.000 1.166 733 M CA -0.574 54.731 55.300 0.009 0.000 1.086 733 M CB 1.011 33.607 32.600 -0.006 0.000 1.541 733 M HN 0.364 nan 8.290 nan 0.000 0.462 734 S N 0.786 116.476 115.700 -0.017 0.000 2.550 734 S HA 0.385 4.855 4.470 -0.000 0.000 0.270 734 S C 0.278 174.823 174.600 -0.091 0.000 1.145 734 S CA -0.726 57.450 58.200 -0.040 0.000 0.852 734 S CB 1.036 64.224 63.200 -0.020 0.000 1.119 734 S HN 0.765 nan 8.310 nan 0.000 0.465 735 N N 1.155 119.780 118.700 -0.124 0.000 2.461 735 N HA 0.104 4.844 4.740 -0.000 0.000 0.188 735 N C 0.270 175.770 175.510 -0.016 0.000 1.134 735 N CA 0.295 53.228 53.050 -0.194 0.000 0.878 735 N CB -0.504 37.883 38.487 -0.166 0.000 0.972 735 N HN 0.716 nan 8.380 nan 0.000 0.456 736 R N 1.253 121.749 120.500 -0.008 0.000 2.562 736 R HA 0.546 4.886 4.340 -0.000 0.000 0.298 736 R C -2.955 173.102 176.300 -0.404 0.000 0.961 736 R CA -1.978 54.029 56.100 -0.154 0.000 0.881 736 R CB 0.115 30.320 30.300 -0.159 0.000 1.159 736 R HN 0.213 nan 8.270 nan 0.000 0.450 737 P HA 0.089 nan 4.420 nan 0.000 0.271 737 P C -1.037 175.913 177.300 -0.583 0.000 1.216 737 P CA -0.452 62.004 63.100 -1.073 0.000 0.776 737 P CB 0.871 31.812 31.700 -1.264 0.000 0.881 738 N N 3.143 121.619 118.700 -0.373 0.000 2.558 738 N HA 0.068 4.808 4.740 -0.000 0.000 0.233 738 N C 0.664 175.928 175.510 -0.410 0.000 1.038 738 N CA -0.301 52.576 53.050 -0.289 0.000 0.934 738 N CB -0.233 38.190 38.487 -0.106 0.000 1.175 738 N HN 0.090 nan 8.380 nan 0.000 0.512 739 L N 2.708 123.538 121.223 -0.655 0.000 2.549 739 L HA 0.061 4.401 4.340 -0.000 0.000 0.229 739 L C 1.407 178.087 176.870 -0.316 0.000 1.158 739 L CA 0.786 55.080 54.840 -0.911 0.000 0.842 739 L CB -0.643 40.953 42.059 -0.773 0.000 0.952 739 L HN 0.546 nan 8.230 nan 0.000 0.452 740 N N -0.961 117.646 118.700 -0.155 0.000 2.282 740 N HA 0.032 4.772 4.740 -0.000 0.000 0.185 740 N C 0.803 176.340 175.510 0.046 0.000 1.099 740 N CA 0.085 53.117 53.050 -0.030 0.000 0.878 740 N CB 0.591 39.048 38.487 -0.050 0.000 0.993 740 N HN 0.259 nan 8.380 nan 0.000 0.481 741 R N 0.495 121.038 120.500 0.072 0.000 2.308 741 R HA 0.323 4.663 4.340 -0.000 0.000 0.305 741 R C 0.303 176.702 176.300 0.165 0.000 1.053 741 R CA 0.379 56.540 56.100 0.101 0.000 0.957 741 R CB 0.394 30.748 30.300 0.091 0.000 1.022 741 R HN 0.180 nan 8.270 nan 0.000 0.461 742 G N 2.877 111.745 108.800 0.113 0.000 2.272 742 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.280 742 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.280 742 G C 0.445 175.423 174.900 0.129 0.000 1.067 742 G CA 0.705 45.870 45.100 0.109 0.000 0.902 742 G HN 0.764 nan 8.290 nan 0.000 0.500 743 T N -3.331 111.300 114.554 0.128 0.000 3.023 743 T HA 0.376 4.726 4.350 -0.000 0.000 0.253 743 T C 0.916 175.666 174.700 0.084 0.000 1.038 743 T CA 0.395 62.573 62.100 0.129 0.000 0.962 743 T CB 0.601 69.568 68.868 0.165 0.000 1.018 743 T HN 0.504 nan 8.240 nan 0.000 0.521 744 K N 1.931 122.370 120.400 0.064 0.000 2.185 744 K HA 0.244 4.564 4.320 -0.000 0.000 0.271 744 K C 1.193 177.819 176.600 0.042 0.000 1.013 744 K CA -0.585 55.731 56.287 0.047 0.000 0.943 744 K CB 1.242 33.764 32.500 0.036 0.000 0.998 744 K HN -0.045 nan 8.250 nan 0.000 0.468 745 E N 3.283 123.503 120.200 0.035 0.000 2.136 745 E HA -0.299 4.051 4.350 -0.000 0.000 0.202 745 E C 1.297 177.921 176.600 0.040 0.000 1.019 745 E CA 2.144 58.561 56.400 0.029 0.000 0.819 745 E CB 0.177 29.889 29.700 0.020 0.000 0.739 745 E HN 0.764 nan 8.360 nan 0.000 0.458 746 E N -0.328 119.899 120.200 0.044 0.000 2.265 746 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 746 E C 1.140 177.790 176.600 0.084 0.000 0.996 746 E CA 1.220 57.656 56.400 0.059 0.000 0.832 746 E CB -0.151 29.572 29.700 0.039 0.000 0.756 746 E HN 0.167 nan 8.360 nan 0.000 0.491 747 D N 0.313 120.750 120.400 0.062 0.000 2.355 747 D HA 0.029 4.669 4.640 -0.000 0.000 0.218 747 D C 0.405 176.793 176.300 0.147 0.000 1.004 747 D CA 0.481 54.517 54.000 0.059 0.000 0.880 747 D CB 0.122 40.940 40.800 0.029 0.000 0.911 747 D HN 0.199 nan 8.370 nan 0.000 0.528 748 M N 1.524 121.191 119.600 0.111 0.000 2.235 748 M HA 0.267 4.747 4.480 -0.000 0.000 0.351 748 M C -2.093 174.166 176.300 -0.068 0.000 1.178 748 M CA -2.234 53.066 55.300 0.001 0.000 1.143 748 M CB 0.396 32.975 32.600 -0.035 0.000 1.530 748 M HN -0.262 nan 8.290 nan 0.000 0.461 749 P HA 0.085 nan 4.420 nan 0.000 0.277 749 P C -0.775 176.357 177.300 -0.280 0.000 1.276 749 P CA -0.405 62.345 63.100 -0.584 0.000 0.788 749 P CB 0.245 31.584 31.700 -0.603 0.000 1.114 750 Y N 0.180 120.316 120.300 -0.273 0.000 2.610 750 Y HA 0.173 4.723 4.550 -0.000 0.000 0.332 750 Y C -0.158 175.801 175.900 0.098 0.000 1.201 750 Y CA 1.186 59.254 58.100 -0.053 0.000 1.465 750 Y CB 0.190 38.644 38.460 -0.010 0.000 1.283 750 Y HN 0.165 nan 8.280 nan 0.000 0.563 751 S N 7.146 122.544 115.700 -0.503 0.000 2.557 751 S HA 0.166 4.636 4.470 -0.000 0.000 0.291 751 S C 0.096 174.299 174.600 -0.661 0.000 1.116 751 S CA -0.811 57.151 58.200 -0.396 0.000 0.992 751 S CB 0.914 64.015 63.200 -0.164 0.000 1.028 751 S HN 0.756 nan 8.310 nan 0.000 0.484 752 F N 3.883 123.555 119.950 -0.463 0.000 2.161 752 F HA -0.156 4.370 4.527 -0.000 0.000 0.300 752 F C 2.481 178.233 175.800 -0.080 0.000 1.089 752 F CA 2.190 60.137 58.000 -0.089 0.000 1.282 752 F CB -0.762 38.389 39.000 0.252 0.000 1.010 752 F HN 0.658 nan 8.300 nan 0.000 0.485 753 S N -0.823 114.789 115.700 -0.146 0.000 2.419 753 S HA -0.204 4.266 4.470 -0.000 0.000 0.233 753 S C 1.885 176.362 174.600 -0.205 0.000 1.016 753 S CA 1.256 59.323 58.200 -0.222 0.000 0.974 753 S CB -0.561 62.566 63.200 -0.122 0.000 0.786 753 S HN 0.490 nan 8.310 nan 0.000 0.492 754 K N 1.049 121.332 120.400 -0.195 0.000 2.379 754 K HA 0.233 4.553 4.320 -0.000 0.000 0.194 754 K C 1.064 177.596 176.600 -0.113 0.000 1.031 754 K CA 0.033 56.231 56.287 -0.147 0.000 1.037 754 K CB 0.216 32.630 32.500 -0.143 0.000 0.824 754 K HN 0.658 nan 8.250 nan 0.000 0.516 755 E N 0.000 120.131 120.200 -0.115 0.000 2.725 755 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 755 E CA 0.000 56.426 56.400 0.044 0.000 0.976 755 E CB 0.000 29.878 29.700 0.296 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440