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 2wvz_1_B 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 YSFSKELEHH HH 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 0.000 176.072 176.600 -0.880 0.000 0.988 20 K CA 0.000 55.932 56.287 -0.591 0.000 0.838 20 K CB 0.000 32.129 32.500 -0.619 0.000 1.064 21 D N 0.757 120.707 120.400 -0.749 0.000 2.177 21 D HA 0.599 5.239 4.640 0.000 0.000 0.247 21 D C 0.483 176.346 176.300 -0.728 0.000 1.063 21 D CA -0.289 53.367 54.000 -0.573 0.000 0.867 21 D CB 0.705 41.300 40.800 -0.342 0.000 1.168 21 D HN 0.557 nan 8.370 nan 0.000 0.445 22 W N 2.044 123.239 121.300 -0.176 0.000 2.940 22 W HA 0.006 4.666 4.660 0.000 0.000 0.297 22 W C 1.947 178.352 176.519 -0.190 0.000 1.149 22 W CA 0.461 57.644 57.345 -0.271 0.000 1.564 22 W CB -0.230 28.956 29.460 -0.456 0.000 1.010 22 W HN 0.587 nan 8.180 nan 0.000 0.578 23 T N -0.320 114.287 114.554 0.089 0.000 2.822 23 T HA -0.328 4.022 4.350 0.000 0.000 0.270 23 T C 1.691 176.362 174.700 -0.049 0.000 1.064 23 T CA 1.895 64.040 62.100 0.076 0.000 1.131 23 T CB -0.489 68.511 68.868 0.220 0.000 0.858 23 T HN 0.383 nan 8.240 nan 0.000 0.483 24 Q N -0.039 119.634 119.800 -0.212 0.000 2.297 24 Q HA -0.153 4.187 4.340 0.000 0.000 0.208 24 Q C 1.394 177.232 176.000 -0.271 0.000 0.981 24 Q CA 1.375 56.989 55.803 -0.315 0.000 0.876 24 Q CB -0.736 27.688 28.738 -0.523 0.000 0.921 24 Q HN 0.668 nan 8.270 nan 0.000 0.446 25 Y N 0.498 120.825 120.300 0.044 0.000 2.482 25 Y HA 0.246 4.796 4.550 0.000 0.000 0.270 25 Y C 0.688 176.658 175.900 0.117 0.000 1.152 25 Y CA -0.548 57.634 58.100 0.137 0.000 1.292 25 Y CB 0.611 39.243 38.460 0.287 0.000 1.070 25 Y HN -0.120 nan 8.280 nan 0.000 0.528 26 V N 2.072 122.062 119.914 0.126 0.000 2.530 26 V HA 0.111 4.231 4.120 0.000 0.000 0.282 26 V C -0.159 175.856 176.094 -0.132 0.000 1.048 26 V CA -0.543 61.736 62.300 -0.034 0.000 0.997 26 V CB 1.093 32.750 31.823 -0.278 0.000 0.987 26 V HN 0.249 nan 8.190 nan 0.000 0.477 27 N N 6.328 124.961 118.700 -0.111 0.000 2.569 27 N HA 0.422 5.162 4.740 0.000 0.000 0.254 27 N C -2.141 173.300 175.510 -0.115 0.000 1.004 27 N CA -2.145 50.849 53.050 -0.093 0.000 0.904 27 N CB 2.166 40.644 38.487 -0.014 0.000 1.165 27 N HN 0.175 nan 8.380 nan 0.000 0.513 28 P HA 0.026 nan 4.420 nan 0.000 0.231 28 P C 0.757 178.068 177.300 0.018 0.000 1.158 28 P CA 0.848 63.879 63.100 -0.115 0.000 0.763 28 P CB 0.321 31.909 31.700 -0.187 0.000 0.805 29 L N -2.594 118.652 121.223 0.038 0.000 2.513 29 L HA 0.212 4.552 4.340 0.000 0.000 0.222 29 L C 1.345 178.265 176.870 0.083 0.000 1.096 29 L CA -0.214 54.688 54.840 0.103 0.000 0.857 29 L CB -0.423 41.740 42.059 0.174 0.000 1.026 29 L HN 0.035 nan 8.230 nan 0.000 0.469 30 M N 1.102 120.729 119.600 0.044 0.000 2.338 30 M HA 0.117 4.597 4.480 0.000 0.000 0.360 30 M C 1.041 177.431 176.300 0.150 0.000 1.547 30 M CA 1.520 56.830 55.300 0.017 0.000 1.001 30 M CB 0.091 32.664 32.600 -0.045 0.000 2.008 30 M HN 0.278 nan 8.290 nan 0.000 0.464 31 G N 2.287 111.183 108.800 0.160 0.000 2.194 31 G HA2 -0.296 3.664 3.960 0.000 0.000 0.236 31 G HA3 -0.296 3.664 3.960 0.000 0.000 0.236 31 G C 0.671 175.697 174.900 0.209 0.000 0.987 31 G CA 0.607 45.877 45.100 0.284 0.000 0.635 31 G HN 1.011 nan 8.290 nan 0.000 0.520 32 S N -0.585 115.239 115.700 0.207 0.000 2.470 32 S HA 0.154 4.624 4.470 0.000 0.000 0.225 32 S C 1.249 176.034 174.600 0.308 0.000 1.006 32 S CA 1.275 59.668 58.200 0.321 0.000 0.934 32 S CB 0.084 63.584 63.200 0.500 0.000 0.778 32 S HN 0.589 nan 8.310 nan 0.000 0.517 33 Q N 2.071 121.982 119.800 0.184 0.000 3.184 33 Q HA 0.328 4.668 4.340 0.000 0.000 0.288 33 Q C -1.036 175.052 176.000 0.146 0.000 1.412 33 Q CA -0.288 55.610 55.803 0.158 0.000 0.991 33 Q CB -0.255 28.491 28.738 0.013 0.000 1.688 33 Q HN 0.445 nan 8.270 nan 0.000 0.554 34 S N 0.170 115.992 115.700 0.204 0.000 2.600 34 S HA 0.666 5.136 4.470 0.000 0.000 0.300 34 S C -0.418 174.294 174.600 0.187 0.000 1.087 34 S CA -0.730 57.593 58.200 0.205 0.000 0.965 34 S CB 1.956 65.313 63.200 0.263 0.000 1.089 34 S HN 0.568 nan 8.310 nan 0.000 0.496 35 T N -1.513 113.108 114.554 0.112 0.000 2.887 35 T HA 0.545 4.895 4.350 0.000 0.000 0.292 35 T C 0.575 175.259 174.700 -0.026 0.000 1.087 35 T CA -0.796 61.271 62.100 -0.056 0.000 1.009 35 T CB 0.603 69.443 68.868 -0.048 0.000 1.203 35 T HN 0.362 nan 8.240 nan 0.000 0.518 36 F N 1.441 121.131 119.950 -0.432 0.000 2.154 36 F HA -0.052 4.475 4.527 0.000 0.000 0.301 36 F C 1.977 177.794 175.800 0.029 0.000 1.087 36 F CA 1.825 59.692 58.000 -0.222 0.000 1.274 36 F CB -0.203 38.555 39.000 -0.403 0.000 1.009 36 F HN 0.687 nan 8.300 nan 0.000 0.485 37 E N 0.010 120.248 120.200 0.063 0.000 2.216 37 E HA 0.113 4.463 4.350 0.000 0.000 0.192 37 E C -0.334 176.274 176.600 0.013 0.000 0.988 37 E CA 0.622 57.038 56.400 0.028 0.000 0.834 37 E CB 0.198 29.952 29.700 0.091 0.000 0.772 37 E HN 0.320 nan 8.360 nan 0.000 0.479 38 L N -0.178 121.066 121.223 0.036 0.000 2.596 38 L HA 0.351 4.691 4.340 0.000 0.000 0.265 38 L C -1.075 175.852 176.870 0.093 0.000 0.962 38 L CA -0.403 54.477 54.840 0.067 0.000 0.891 38 L CB 2.014 44.097 42.059 0.040 0.000 1.248 38 L HN -0.174 nan 8.230 nan 0.000 0.410 39 S N 1.570 117.357 115.700 0.146 0.000 2.537 39 S HA 0.493 4.963 4.470 0.000 0.000 0.275 39 S C 0.767 175.447 174.600 0.134 0.000 1.272 39 S CA 0.236 58.527 58.200 0.152 0.000 1.050 39 S CB 0.804 64.122 63.200 0.196 0.000 0.961 39 S HN 0.753 nan 8.310 nan 0.000 0.496 40 T N 1.354 115.989 114.554 0.135 0.000 3.248 40 T HA 0.565 4.915 4.350 0.000 0.000 0.271 40 T C 1.065 175.905 174.700 0.232 0.000 1.005 40 T CA 0.160 62.343 62.100 0.139 0.000 0.902 40 T CB 0.069 68.991 68.868 0.090 0.000 1.102 40 T HN 1.103 nan 8.240 nan 0.000 0.548 41 G N 1.572 110.474 108.800 0.171 0.000 3.514 41 G HA2 -0.159 3.801 3.960 0.000 0.000 0.197 41 G HA3 -0.159 3.801 3.960 0.000 0.000 0.197 41 G C 0.178 175.089 174.900 0.018 0.000 1.098 41 G CA -0.249 44.909 45.100 0.096 0.000 0.884 41 G HN 0.361 nan 8.290 nan 0.000 0.433 42 N N 1.761 120.510 118.700 0.082 0.000 2.714 42 N HA -0.152 4.588 4.740 0.000 0.000 0.252 42 N C 0.522 176.006 175.510 -0.043 0.000 1.014 42 N CA 1.909 54.963 53.050 0.007 0.000 0.735 42 N CB -1.462 36.972 38.487 -0.087 0.000 0.924 42 N HN 1.320 nan 8.380 nan 0.000 0.540 43 T N -2.538 112.037 114.554 0.035 0.000 2.910 43 T HA 0.738 5.088 4.350 0.000 0.000 0.279 43 T C 0.059 174.823 174.700 0.108 0.000 0.989 43 T CA -0.733 61.356 62.100 -0.019 0.000 0.968 43 T CB 1.814 70.670 68.868 -0.019 0.000 1.135 43 T HN 0.247 nan 8.240 nan 0.000 0.562 44 Y N -2.245 118.083 120.300 0.048 0.000 2.570 44 Y HA 0.745 5.295 4.550 0.000 0.000 0.345 44 Y C -3.039 172.813 175.900 -0.081 0.000 1.014 44 Y CA -3.536 54.566 58.100 0.004 0.000 1.063 44 Y CB 0.579 39.042 38.460 0.005 0.000 1.272 44 Y HN 0.391 nan 8.280 nan 0.000 0.477 45 P HA 0.224 nan 4.420 nan 0.000 0.275 45 P C -0.776 176.538 177.300 0.024 0.000 1.276 45 P CA 0.158 63.191 63.100 -0.112 0.000 0.782 45 P CB 0.623 32.137 31.700 -0.310 0.000 0.851 46 A N 6.322 129.136 122.820 -0.009 0.000 2.366 46 A HA 0.399 4.719 4.320 0.000 0.000 0.322 46 A C 0.282 177.827 177.584 -0.064 0.000 1.397 46 A CA -0.601 51.399 52.037 -0.062 0.000 0.984 46 A CB -0.359 18.361 19.000 -0.467 0.000 1.149 46 A HN 0.386 nan 8.150 nan 0.000 0.540 47 I N 2.248 122.822 120.570 0.007 0.000 2.322 47 I HA 0.558 4.728 4.170 0.000 0.000 0.292 47 I C 0.527 176.739 176.117 0.158 0.000 1.060 47 I CA 0.227 61.557 61.300 0.050 0.000 1.309 47 I CB -0.285 37.737 38.000 0.037 0.000 1.415 47 I HN 0.672 nan 8.210 nan 0.000 0.492 48 A N 7.191 130.137 122.820 0.211 0.000 2.601 48 A HA 0.714 5.034 4.320 0.000 0.000 0.291 48 A C -0.507 177.379 177.584 0.504 0.000 1.075 48 A CA -0.886 51.335 52.037 0.306 0.000 0.671 48 A CB 1.731 20.752 19.000 0.035 0.000 1.277 48 A HN 0.483 nan 8.150 nan 0.000 0.417 49 R N 0.132 120.842 120.500 0.350 0.000 2.560 49 R HA 0.463 4.803 4.340 0.000 0.000 0.270 49 R C -2.648 173.597 176.300 -0.091 0.000 1.074 49 R CA -2.014 54.148 56.100 0.104 0.000 1.140 49 R CB -0.224 30.109 30.300 0.054 0.000 1.073 49 R HN 0.421 nan 8.270 nan 0.000 0.527 50 P HA -0.124 nan 4.420 nan 0.000 0.261 50 P C -0.193 176.982 177.300 -0.207 0.000 1.173 50 P CA 0.377 62.906 63.100 -0.951 0.000 0.760 50 P CB 0.187 31.067 31.700 -1.366 0.000 0.783 51 W N 0.142 121.487 121.300 0.075 0.000 5.400 51 W HA -0.169 4.491 4.660 0.000 0.000 0.357 51 W C 0.675 177.300 176.519 0.178 0.000 1.291 51 W CA 0.734 58.184 57.345 0.175 0.000 0.911 51 W CB -2.454 27.142 29.460 0.226 0.000 2.382 51 W HN 0.485 nan 8.180 nan 0.000 1.557 52 G N 0.818 109.865 108.800 0.412 0.000 2.414 52 G HA2 0.189 4.149 3.960 0.000 0.000 0.236 52 G HA3 0.189 4.149 3.960 0.000 0.000 0.236 52 G C 0.819 175.801 174.900 0.138 0.000 1.293 52 G CA 0.239 45.531 45.100 0.319 0.000 0.869 52 G HN 0.291 nan 8.290 nan 0.000 0.556 53 M N 1.698 121.343 119.600 0.076 0.000 2.213 53 M HA -0.031 4.449 4.480 0.000 0.000 0.263 53 M C 0.166 176.536 176.300 0.117 0.000 1.062 53 M CA 1.152 56.487 55.300 0.058 0.000 1.105 53 M CB 0.019 32.642 32.600 0.038 0.000 1.385 53 M HN 0.418 nan 8.290 nan 0.000 0.417 54 N N -0.191 118.567 118.700 0.096 0.000 2.296 54 N HA 0.299 5.039 4.740 0.000 0.000 0.294 54 N C -1.750 173.787 175.510 0.044 0.000 1.033 54 N CA -0.333 52.696 53.050 -0.035 0.000 0.839 54 N CB 1.465 39.980 38.487 0.046 0.000 1.395 54 N HN -0.041 nan 8.380 nan 0.000 0.479 55 F N 0.602 120.351 119.950 -0.336 0.000 2.458 55 F HA 0.492 5.019 4.527 -0.000 0.000 0.330 55 F C -0.136 175.368 175.800 -0.492 0.000 1.082 55 F CA -1.217 56.664 58.000 -0.198 0.000 0.995 55 F CB 0.832 39.801 39.000 -0.051 0.000 1.170 55 F HN 0.290 nan 8.300 nan 0.000 0.478 56 W N 0.859 122.227 121.300 0.114 0.000 2.587 56 W HA 0.567 5.227 4.660 0.000 0.000 0.324 56 W C -0.193 176.289 176.519 -0.061 0.000 1.040 56 W CA -0.601 56.731 57.345 -0.021 0.000 1.222 56 W CB 2.107 31.538 29.460 -0.049 0.000 1.381 56 W HN 0.341 nan 8.180 nan 0.000 0.483 57 T N 5.037 119.629 114.554 0.063 0.000 2.916 57 T HA 0.445 4.795 4.350 0.000 0.000 0.298 57 T C -2.621 171.984 174.700 -0.158 0.000 1.031 57 T CA -2.322 59.717 62.100 -0.102 0.000 0.993 57 T CB 1.139 69.908 68.868 -0.165 0.000 1.045 57 T HN 0.018 nan 8.240 nan 0.000 0.454 58 P HA 0.043 nan 4.420 nan 0.000 0.266 58 P C -1.027 176.152 177.300 -0.201 0.000 1.193 58 P CA 0.088 62.916 63.100 -0.454 0.000 0.770 58 P CB 0.407 31.793 31.700 -0.525 0.000 0.836 59 Q N 1.251 120.897 119.800 -0.257 0.000 2.327 59 Q HA 0.293 4.633 4.340 0.000 0.000 0.270 59 Q C 0.575 176.484 176.000 -0.152 0.000 1.022 59 Q CA -0.410 55.321 55.803 -0.120 0.000 0.773 59 Q CB 1.207 29.883 28.738 -0.103 0.000 1.251 59 Q HN 0.530 nan 8.270 nan 0.000 0.457 60 T N -0.144 114.351 114.554 -0.099 0.000 3.039 60 T HA 0.259 4.609 4.350 0.000 0.000 0.250 60 T C 0.869 175.509 174.700 -0.101 0.000 1.052 60 T CA 0.467 62.478 62.100 -0.147 0.000 1.125 60 T CB 0.220 68.963 68.868 -0.208 0.000 0.908 60 T HN 0.510 nan 8.240 nan 0.000 0.473 61 G N 1.101 109.872 108.800 -0.048 0.000 2.537 61 G HA2 0.486 4.446 3.960 0.000 0.000 0.273 61 G HA3 0.486 4.446 3.960 0.000 0.000 0.273 61 G C -0.718 174.153 174.900 -0.048 0.000 1.189 61 G CA -0.856 44.229 45.100 -0.025 0.000 0.881 61 G HN 0.410 nan 8.290 nan 0.000 0.535 62 K N 0.314 120.684 120.400 -0.050 0.000 2.237 62 K HA 0.143 4.463 4.320 0.000 0.000 0.270 62 K C 0.805 177.364 176.600 -0.068 0.000 1.015 62 K CA -0.356 55.884 56.287 -0.078 0.000 0.949 62 K CB 1.165 33.620 32.500 -0.076 0.000 0.976 62 K HN 0.577 nan 8.250 nan 0.000 0.472 63 M N 1.991 121.504 119.600 -0.145 0.000 2.273 63 M HA -0.198 4.282 4.480 0.000 0.000 0.424 63 M C 0.706 176.982 176.300 -0.041 0.000 1.461 63 M CA 2.095 57.289 55.300 -0.177 0.000 0.819 63 M CB -0.460 31.836 32.600 -0.507 0.000 2.023 63 M HN 0.986 nan 8.290 nan 0.000 0.510 64 G N 2.996 111.837 108.800 0.068 0.000 2.234 64 G HA2 -0.240 3.720 3.960 0.000 0.000 0.235 64 G HA3 -0.240 3.720 3.960 0.000 0.000 0.235 64 G C -0.265 174.671 174.900 0.059 0.000 0.997 64 G CA 0.165 45.307 45.100 0.071 0.000 0.623 64 G HN 0.824 nan 8.290 nan 0.000 0.514 65 D N 0.959 121.394 120.400 0.058 0.000 2.308 65 D HA 0.510 5.150 4.640 0.000 0.000 0.251 65 D C 1.741 178.102 176.300 0.101 0.000 1.127 65 D CA 0.697 54.760 54.000 0.103 0.000 0.876 65 D CB 0.796 41.661 40.800 0.108 0.000 1.176 65 D HN 0.259 nan 8.370 nan 0.000 0.446 66 G N 3.498 112.361 108.800 0.105 0.000 2.469 66 G HA2 -0.246 3.714 3.960 0.000 0.000 0.220 66 G HA3 -0.246 3.714 3.960 0.000 0.000 0.220 66 G C 0.698 175.452 174.900 -0.242 0.000 1.136 66 G CA 0.069 45.060 45.100 -0.183 0.000 0.759 66 G HN 0.610 nan 8.290 nan 0.000 0.562 67 W N 2.332 123.575 121.300 -0.096 0.000 1.664 67 W HA 0.219 4.879 4.660 0.000 0.000 0.428 67 W C 1.510 178.018 176.519 -0.018 0.000 0.726 67 W CA -0.325 56.991 57.345 -0.048 0.000 1.774 67 W CB -0.182 29.248 29.460 -0.051 0.000 1.801 67 W HN 0.558 nan 8.180 nan 0.000 0.243 68 Q N 0.638 120.489 119.800 0.084 0.000 2.364 68 Q HA -0.170 4.170 4.340 0.000 0.000 0.207 68 Q C -0.067 176.008 176.000 0.125 0.000 0.970 68 Q CA 1.199 57.025 55.803 0.038 0.000 0.888 68 Q CB 0.069 28.745 28.738 -0.102 0.000 0.951 68 Q HN 0.420 nan 8.270 nan 0.000 0.469 69 Y N 0.882 121.220 120.300 0.063 0.000 2.362 69 Y HA 0.348 4.898 4.550 0.000 0.000 0.326 69 Y C -1.509 174.510 175.900 0.198 0.000 1.083 69 Y CA -0.630 57.532 58.100 0.103 0.000 1.073 69 Y CB 2.128 40.645 38.460 0.095 0.000 1.211 69 Y HN 0.077 nan 8.280 nan 0.000 0.433 70 T N 2.204 116.659 114.554 -0.165 0.000 2.879 70 T HA 0.158 4.508 4.350 0.000 0.000 0.290 70 T C 0.126 174.789 174.700 -0.062 0.000 0.993 70 T CA -0.585 61.544 62.100 0.049 0.000 0.975 70 T CB 0.944 69.858 68.868 0.076 0.000 0.981 70 T HN 0.764 nan 8.240 nan 0.000 0.439 71 Y N 3.017 123.358 120.300 0.069 0.000 2.365 71 Y HA -0.150 4.400 4.550 0.000 0.000 0.287 71 Y C 2.354 178.351 175.900 0.162 0.000 1.162 71 Y CA 1.824 60.010 58.100 0.144 0.000 1.260 71 Y CB -0.069 38.434 38.460 0.073 0.000 0.976 71 Y HN 0.746 nan 8.280 nan 0.000 0.548 72 T N 0.408 115.033 114.554 0.118 0.000 3.100 72 T HA 0.275 4.625 4.350 0.000 0.000 0.253 72 T C 0.590 175.223 174.700 -0.112 0.000 1.118 72 T CA 0.369 62.485 62.100 0.026 0.000 1.058 72 T CB -0.450 68.451 68.868 0.055 0.000 0.953 72 T HN 0.349 nan 8.240 nan 0.000 0.515 73 A N 1.485 124.212 122.820 -0.155 0.000 2.351 73 A HA 0.377 4.697 4.320 0.000 0.000 0.257 73 A C 1.016 178.377 177.584 -0.373 0.000 1.087 73 A CA -0.462 51.443 52.037 -0.221 0.000 0.798 73 A CB 0.291 19.186 19.000 -0.174 0.000 1.033 73 A HN 0.251 nan 8.150 nan 0.000 0.488 74 N N 0.119 118.514 118.700 -0.508 0.000 2.388 74 N HA 0.063 4.803 4.740 0.000 0.000 0.176 74 N C -0.425 174.701 175.510 -0.641 0.000 1.062 74 N CA 0.835 53.344 53.050 -0.903 0.000 0.895 74 N CB 0.267 37.774 38.487 -1.633 0.000 1.018 74 N HN 0.605 nan 8.380 nan 0.000 0.456 75 K N 0.653 120.890 120.400 -0.271 0.000 2.471 75 K HA 0.459 4.779 4.320 0.000 0.000 0.252 75 K C -0.802 175.765 176.600 -0.055 0.000 0.938 75 K CA -0.431 55.791 56.287 -0.109 0.000 0.796 75 K CB 2.567 34.893 32.500 -0.291 0.000 1.161 75 K HN -0.135 nan 8.250 nan 0.000 0.425 76 I N 4.128 124.609 120.570 -0.148 0.000 2.325 76 I HA 0.157 4.327 4.170 0.000 0.000 0.291 76 I C 1.568 177.552 176.117 -0.221 0.000 1.019 76 I CA -0.110 60.988 61.300 -0.336 0.000 1.302 76 I CB 0.733 38.380 38.000 -0.587 0.000 1.401 76 I HN 0.630 nan 8.210 nan 0.000 0.485 77 R N 5.024 125.401 120.500 -0.205 0.000 2.362 77 R HA 0.436 4.776 4.340 0.000 0.000 0.227 77 R C 0.255 176.477 176.300 -0.129 0.000 0.905 77 R CA 0.051 56.066 56.100 -0.142 0.000 1.067 77 R CB 0.659 30.875 30.300 -0.139 0.000 1.078 77 R HN 0.721 nan 8.270 nan 0.000 0.516 78 G N 0.460 109.138 108.800 -0.204 0.000 2.368 78 G HA2 0.394 4.354 3.960 0.000 0.000 0.293 78 G HA3 0.394 4.354 3.960 0.000 0.000 0.293 78 G C -1.897 172.834 174.900 -0.281 0.000 1.467 78 G CA -0.924 44.117 45.100 -0.098 0.000 0.804 78 G HN 0.032 nan 8.290 nan 0.000 0.535 79 F N 0.871 120.886 119.950 0.108 0.000 2.444 79 F HA 0.704 5.231 4.527 0.000 0.000 0.342 79 F C 0.525 176.482 175.800 0.261 0.000 1.121 79 F CA -0.790 57.336 58.000 0.210 0.000 0.997 79 F CB 2.466 41.691 39.000 0.375 0.000 1.130 79 F HN 0.191 nan 8.300 nan 0.000 0.454 80 K N 3.472 124.043 120.400 0.285 0.000 2.507 80 K HA 0.199 4.519 4.320 0.000 0.000 0.252 80 K C -0.873 175.379 176.600 -0.579 0.000 0.943 80 K CA -0.650 55.562 56.287 -0.124 0.000 0.808 80 K CB 1.822 34.219 32.500 -0.173 0.000 1.142 80 K HN 0.826 nan 8.250 nan 0.000 0.426 81 Q N 2.597 121.529 119.800 -1.446 0.000 2.289 81 Q HA 0.056 4.396 4.340 0.000 0.000 0.273 81 Q C -1.027 174.271 176.000 -1.170 0.000 1.029 81 Q CA 0.682 55.309 55.803 -1.960 0.000 0.896 81 Q CB 0.831 28.240 28.738 -2.214 0.000 1.182 81 Q HN 0.556 nan 8.270 nan 0.000 0.385 82 T N 2.685 116.632 114.554 -1.011 0.000 2.909 82 T HA 0.390 4.740 4.350 0.000 0.000 0.299 82 T C -0.794 173.408 174.700 -0.831 0.000 1.073 82 T CA -0.513 61.131 62.100 -0.760 0.000 0.999 82 T CB 0.981 69.512 68.868 -0.562 0.000 1.098 82 T HN 0.813 nan 8.240 nan 0.000 0.477 83 H N 0.850 119.679 119.070 -0.401 0.000 3.058 83 H HA 0.345 4.901 4.556 0.000 0.000 0.266 83 H C 0.740 176.015 175.328 -0.089 0.000 1.135 83 H CA -0.387 55.422 56.048 -0.398 0.000 1.174 83 H CB 0.592 29.877 29.762 -0.794 0.000 1.581 83 H HN 0.504 nan 8.280 nan 0.000 0.553 84 Q N 3.490 123.317 119.800 0.045 0.000 2.269 84 Q HA -0.028 4.312 4.340 0.000 0.000 0.300 84 Q C -1.676 174.605 176.000 0.468 0.000 1.070 84 Q CA -1.061 54.849 55.803 0.177 0.000 0.957 84 Q CB 1.042 29.795 28.738 0.026 0.000 1.131 84 Q HN 0.186 nan 8.270 nan 0.000 0.377 85 P HA 0.015 nan 4.420 nan 0.000 0.220 85 P C -0.467 176.875 177.300 0.070 0.000 1.154 85 P CA 0.550 63.823 63.100 0.289 0.000 0.837 85 P CB 0.463 32.411 31.700 0.414 0.000 0.815 86 S N -2.801 112.932 115.700 0.055 0.000 2.596 86 S HA 0.468 4.938 4.470 0.000 0.000 0.270 86 S C -2.506 171.936 174.600 -0.264 0.000 1.155 86 S CA -1.381 56.779 58.200 -0.067 0.000 0.827 86 S CB 1.538 64.781 63.200 0.071 0.000 1.130 86 S HN -0.220 nan 8.310 nan 0.000 0.467 87 P HA -0.034 nan 4.420 nan 0.000 0.218 87 P C 0.650 177.478 177.300 -0.786 0.000 1.149 87 P CA 1.221 63.703 63.100 -1.030 0.000 0.817 87 P CB -0.213 30.221 31.700 -2.110 0.000 0.785 88 W N -0.403 120.751 121.300 -0.243 0.000 2.443 88 W HA 0.016 4.676 4.660 0.000 0.000 0.296 88 W C 2.349 178.764 176.519 -0.173 0.000 1.202 88 W CA -0.196 57.066 57.345 -0.138 0.000 1.312 88 W CB -1.071 28.333 29.460 -0.093 0.000 1.120 88 W HN -0.206 nan 8.180 nan 0.000 0.536 89 I N 0.112 120.652 120.570 -0.050 0.000 2.286 89 I HA -0.166 4.004 4.170 0.000 0.000 0.245 89 I C 1.364 177.425 176.117 -0.093 0.000 1.104 89 I CA 1.338 62.522 61.300 -0.193 0.000 1.397 89 I CB -1.435 36.329 38.000 -0.393 0.000 1.072 89 I HN 0.201 nan 8.210 nan 0.000 0.417 90 N N 0.556 119.206 118.700 -0.083 0.000 6.802 90 N HA -0.201 4.539 4.740 0.000 0.000 0.414 90 N C -0.383 175.138 175.510 0.018 0.000 0.936 90 N CA 0.914 53.934 53.050 -0.051 0.000 1.204 90 N CB -0.549 37.924 38.487 -0.022 0.000 0.839 90 N HN 0.183 nan 8.380 nan 0.000 0.278 91 D N -0.864 119.555 120.400 0.031 0.000 2.414 91 D HA 0.766 5.406 4.640 0.000 0.000 0.241 91 D C -0.853 175.533 176.300 0.143 0.000 1.008 91 D CA 0.074 54.089 54.000 0.025 0.000 1.001 91 D CB 1.039 41.794 40.800 -0.075 0.000 1.277 91 D HN 0.455 nan 8.370 nan 0.000 0.538 92 Y N -2.987 117.379 120.300 0.111 0.000 2.677 92 Y HA 0.463 5.013 4.550 0.000 0.000 0.334 92 Y C 0.328 176.467 175.900 0.400 0.000 1.196 92 Y CA -0.885 57.322 58.100 0.178 0.000 1.059 92 Y CB 0.849 39.310 38.460 0.001 0.000 1.315 92 Y HN 0.517 nan 8.280 nan 0.000 0.455 93 G N 1.802 111.010 108.800 0.681 0.000 2.295 93 G HA2 -0.209 3.751 3.960 0.000 0.000 0.287 93 G HA3 -0.209 3.751 3.960 0.000 0.000 0.287 93 G C -0.680 174.315 174.900 0.158 0.000 1.055 93 G CA 0.390 45.835 45.100 0.575 0.000 0.922 93 G HN 0.961 nan 8.290 nan 0.000 0.503 94 Q N -0.752 119.007 119.800 -0.068 0.000 2.333 94 Q HA 0.753 5.093 4.340 0.000 0.000 0.265 94 Q C -0.241 175.310 176.000 -0.748 0.000 0.989 94 Q CA -1.124 54.360 55.803 -0.532 0.000 0.842 94 Q CB 1.486 29.837 28.738 -0.645 0.000 1.262 94 Q HN 0.888 nan 8.270 nan 0.000 0.451 95 F N -0.628 118.848 119.950 -0.790 0.000 2.643 95 F HA 0.843 5.370 4.527 0.000 0.000 0.314 95 F C -1.012 174.603 175.800 -0.309 0.000 1.096 95 F CA -0.950 56.673 58.000 -0.629 0.000 0.953 95 F CB 1.697 40.408 39.000 -0.480 0.000 1.345 95 F HN 0.600 nan 8.300 nan 0.000 0.468 96 S N 1.869 117.689 115.700 0.200 0.000 2.627 96 S HA 0.819 5.289 4.470 0.000 0.000 0.283 96 S C -1.585 173.197 174.600 0.303 0.000 1.127 96 S CA -0.753 57.573 58.200 0.211 0.000 0.863 96 S CB 2.004 65.382 63.200 0.296 0.000 1.121 96 S HN 1.112 nan 8.310 nan 0.000 0.479 97 I N 1.361 122.085 120.570 0.258 0.000 2.608 97 I HA 0.743 4.913 4.170 0.000 0.000 0.295 97 I C -1.790 174.444 176.117 0.195 0.000 1.049 97 I CA -1.170 60.235 61.300 0.175 0.000 1.063 97 I CB 2.105 40.118 38.000 0.022 0.000 1.248 97 I HN 0.887 nan 8.210 nan 0.000 0.424 98 M N 10.476 130.142 119.600 0.109 0.000 2.271 98 M HA 0.583 5.063 4.480 0.000 0.000 0.285 98 M C -2.903 173.334 176.300 -0.105 0.000 1.059 98 M CA -1.979 53.387 55.300 0.111 0.000 0.940 98 M CB 2.399 35.040 32.600 0.068 0.000 1.636 98 M HN 0.130 nan 8.290 nan 0.000 0.460 99 P HA 0.634 nan 4.420 nan 0.000 0.286 99 P C -1.169 175.952 177.300 -0.298 0.000 1.261 99 P CA -0.388 62.468 63.100 -0.407 0.000 0.821 99 P CB 0.998 32.223 31.700 -0.791 0.000 1.013 100 I N -0.627 119.800 120.570 -0.238 0.000 3.263 100 I HA 0.773 4.943 4.170 0.000 0.000 0.314 100 I C -1.045 175.021 176.117 -0.085 0.000 1.269 100 I CA -1.479 59.478 61.300 -0.572 0.000 0.942 100 I CB 2.155 39.795 38.000 -0.600 0.000 1.305 100 I HN 0.229 nan 8.210 nan 0.000 0.474 101 V N -0.416 119.445 119.914 -0.088 0.000 3.102 101 V HA 1.057 5.177 4.120 0.000 0.000 0.312 101 V C 0.299 176.455 176.094 0.105 0.000 1.135 101 V CA 0.300 62.707 62.300 0.179 0.000 1.022 101 V CB 0.644 32.620 31.823 0.255 0.000 1.056 101 V HN 2.081 nan 8.190 nan 0.000 0.436 102 G N 1.116 109.989 108.800 0.121 0.000 2.499 102 G HA2 -0.112 3.848 3.960 0.000 0.000 0.232 102 G HA3 -0.112 3.848 3.960 0.000 0.000 0.232 102 G C -0.455 174.320 174.900 -0.209 0.000 1.251 102 G CA 0.062 45.143 45.100 -0.031 0.000 0.917 102 G HN 1.203 nan 8.290 nan 0.000 0.580 103 Q N 1.598 121.254 119.800 -0.239 0.000 2.315 103 Q HA 0.272 4.612 4.340 0.000 0.000 0.289 103 Q C -2.015 173.683 176.000 -0.504 0.000 1.044 103 Q CA -0.828 54.782 55.803 -0.322 0.000 0.920 103 Q CB 0.173 28.791 28.738 -0.201 0.000 1.214 103 Q HN 0.390 nan 8.270 nan 0.000 0.392 104 P HA -0.002 nan 4.420 nan 0.000 0.264 104 P C -0.720 176.400 177.300 -0.300 0.000 1.229 104 P CA 0.273 62.960 63.100 -0.688 0.000 0.780 104 P CB 0.163 31.509 31.700 -0.590 0.000 0.808 105 V N 1.095 120.880 119.914 -0.214 0.000 2.760 105 V HA 0.439 4.559 4.120 0.000 0.000 0.309 105 V C 0.144 176.241 176.094 0.005 0.000 1.077 105 V CA -0.662 61.590 62.300 -0.080 0.000 0.910 105 V CB 1.898 33.671 31.823 -0.084 0.000 1.008 105 V HN 0.301 nan 8.190 nan 0.000 0.424 106 F N 1.919 121.801 119.950 -0.113 0.000 2.553 106 F HA 0.364 4.891 4.527 0.000 0.000 0.282 106 F C 1.232 176.973 175.800 -0.099 0.000 1.089 106 F CA 0.319 58.258 58.000 -0.102 0.000 1.411 106 F CB 0.210 39.143 39.000 -0.112 0.000 1.125 106 F HN 0.827 nan 8.300 nan 0.000 0.610 107 D N 1.493 121.855 120.400 -0.063 0.000 2.648 107 D HA -0.159 4.481 4.640 0.000 0.000 0.229 107 D C 1.381 177.549 176.300 -0.219 0.000 1.119 107 D CA 0.917 54.831 54.000 -0.142 0.000 0.850 107 D CB 0.625 41.390 40.800 -0.059 0.000 1.169 107 D HN 0.637 nan 8.370 nan 0.000 0.489 108 E N 2.625 122.676 120.200 -0.248 0.000 2.150 108 E HA -0.234 4.116 4.350 0.000 0.000 0.193 108 E C 1.132 177.644 176.600 -0.147 0.000 0.985 108 E CA 0.938 57.201 56.400 -0.229 0.000 0.814 108 E CB -0.165 29.394 29.700 -0.234 0.000 0.752 108 E HN 0.663 nan 8.360 nan 0.000 0.466 109 E N 1.444 121.575 120.200 -0.115 0.000 2.047 109 E HA -0.119 4.231 4.350 0.000 0.000 0.191 109 E C 1.983 178.544 176.600 -0.065 0.000 0.987 109 E CA 1.031 57.379 56.400 -0.087 0.000 0.799 109 E CB -0.066 29.591 29.700 -0.072 0.000 0.752 109 E HN 0.280 nan 8.360 nan 0.000 0.449 110 K N 0.810 121.175 120.400 -0.059 0.000 2.366 110 K HA -0.053 4.267 4.320 0.000 0.000 0.198 110 K C 2.152 178.750 176.600 -0.004 0.000 1.044 110 K CA 0.639 56.906 56.287 -0.032 0.000 0.973 110 K CB 0.018 32.497 32.500 -0.034 0.000 0.767 110 K HN 0.101 nan 8.250 nan 0.000 0.475 111 R N 0.657 121.144 120.500 -0.022 0.000 2.240 111 R HA 0.207 4.547 4.340 0.000 0.000 0.203 111 R C 0.714 177.096 176.300 0.137 0.000 1.011 111 R CA 0.251 56.375 56.100 0.040 0.000 1.007 111 R CB -0.174 30.095 30.300 -0.053 0.000 0.911 111 R HN -0.084 nan 8.270 nan 0.000 0.468 112 A N 1.680 124.514 122.820 0.024 0.000 2.466 112 A HA 0.266 4.586 4.320 0.000 0.000 0.238 112 A C -0.051 177.524 177.584 -0.015 0.000 1.074 112 A CA 0.210 52.240 52.037 -0.011 0.000 0.774 112 A CB 0.557 19.509 19.000 -0.080 0.000 1.015 112 A HN 0.379 nan 8.150 nan 0.000 0.498 113 S N 0.831 116.514 115.700 -0.028 0.000 2.547 113 S HA 0.527 4.997 4.470 0.000 0.000 0.281 113 S C -0.913 173.731 174.600 0.074 0.000 1.118 113 S CA -0.584 57.593 58.200 -0.038 0.000 0.947 113 S CB 0.356 63.500 63.200 -0.093 0.000 1.053 113 S HN 0.603 nan 8.310 nan 0.000 0.482 114 W N 3.904 125.182 121.300 -0.036 0.000 2.123 114 W HA 0.437 5.097 4.660 0.000 0.000 0.351 114 W C 0.177 176.775 176.519 0.133 0.000 1.292 114 W CA 0.534 57.886 57.345 0.013 0.000 1.263 114 W CB 0.426 29.852 29.460 -0.057 0.000 1.165 114 W HN 0.615 nan 8.180 nan 0.000 0.590 115 F N 0.159 120.189 119.950 0.134 0.000 2.773 115 F HA 0.832 5.359 4.527 0.000 0.000 0.314 115 F C -1.277 174.532 175.800 0.014 0.000 1.160 115 F CA -1.909 56.130 58.000 0.066 0.000 0.920 115 F CB 0.467 39.457 39.000 -0.016 0.000 1.323 115 F HN 0.464 nan 8.300 nan 0.000 0.457 116 A N 0.335 123.055 122.820 -0.166 0.000 2.515 116 A HA 0.571 4.891 4.320 0.000 0.000 0.296 116 A C -0.269 177.215 177.584 -0.168 0.000 1.094 116 A CA -0.734 51.079 52.037 -0.374 0.000 0.718 116 A CB 0.745 19.688 19.000 -0.095 0.000 1.307 116 A HN 0.987 nan 8.150 nan 0.000 0.408 117 H N 0.591 119.627 119.070 -0.057 0.000 2.521 117 H HA 0.010 4.566 4.556 0.000 0.000 0.286 117 H C 0.976 176.371 175.328 0.113 0.000 1.034 117 H CA 1.350 57.452 56.048 0.089 0.000 1.278 117 H CB 0.321 30.098 29.762 0.025 0.000 1.386 117 H HN 0.623 nan 8.280 nan 0.000 0.567 118 K N 0.265 120.758 120.400 0.155 0.000 2.418 118 K HA 0.035 4.355 4.320 0.000 0.000 0.195 118 K C 1.415 178.077 176.600 0.103 0.000 1.035 118 K CA 0.448 56.809 56.287 0.123 0.000 1.003 118 K CB 0.523 33.075 32.500 0.087 0.000 0.793 118 K HN 0.143 nan 8.250 nan 0.000 0.494 119 G N 1.010 109.886 108.800 0.127 0.000 3.899 119 G HA2 0.021 3.981 3.960 0.000 0.000 0.293 119 G HA3 0.021 3.981 3.960 0.000 0.000 0.293 119 G C -0.663 174.326 174.900 0.149 0.000 1.054 119 G CA -0.198 44.979 45.100 0.129 0.000 0.846 119 G HN 0.082 nan 8.290 nan 0.000 0.525 120 E N 0.511 120.793 120.200 0.137 0.000 2.222 120 E HA 0.554 4.904 4.350 0.000 0.000 0.267 120 E C -1.595 175.000 176.600 -0.008 0.000 0.884 120 E CA -0.523 55.917 56.400 0.068 0.000 0.764 120 E CB 2.689 32.537 29.700 0.247 0.000 1.169 120 E HN -0.098 nan 8.360 nan 0.000 0.413 121 V N 2.816 122.608 119.914 -0.203 0.000 2.443 121 V HA 0.631 4.751 4.120 0.000 0.000 0.293 121 V C -0.656 175.292 176.094 -0.244 0.000 1.021 121 V CA -0.536 61.685 62.300 -0.131 0.000 0.848 121 V CB 1.318 33.129 31.823 -0.019 0.000 0.998 121 V HN 0.747 nan 8.190 nan 0.000 0.424 122 A N 3.911 126.687 122.820 -0.073 0.000 2.330 122 A HA 0.958 5.278 4.320 0.000 0.000 0.313 122 A C -0.045 177.467 177.584 -0.119 0.000 1.124 122 A CA -0.280 51.754 52.037 -0.006 0.000 0.774 122 A CB 1.545 20.642 19.000 0.161 0.000 1.198 122 A HN 0.946 nan 8.150 nan 0.000 0.465 123 T N -0.335 114.080 114.554 -0.233 0.000 2.864 123 T HA 0.679 5.029 4.350 0.000 0.000 0.299 123 T C -2.604 171.769 174.700 -0.546 0.000 1.166 123 T CA -1.613 60.203 62.100 -0.473 0.000 1.007 123 T CB 1.731 70.133 68.868 -0.777 0.000 1.219 123 T HN 0.132 nan 8.240 nan 0.000 0.506 124 P HA -0.051 nan 4.420 nan 0.000 0.216 124 P C 1.065 178.245 177.300 -0.200 0.000 1.150 124 P CA 1.148 63.857 63.100 -0.651 0.000 0.837 124 P CB -0.354 30.520 31.700 -1.375 0.000 0.786 125 Y N -3.856 116.437 120.300 -0.012 0.000 2.482 125 Y HA 0.399 4.949 4.550 0.000 0.000 0.270 125 Y C 0.343 176.362 175.900 0.197 0.000 1.152 125 Y CA -0.906 57.303 58.100 0.183 0.000 1.292 125 Y CB -0.427 38.168 38.460 0.224 0.000 1.070 125 Y HN -0.130 nan 8.280 nan 0.000 0.528 126 Y N 0.410 120.532 120.300 -0.295 0.000 2.480 126 Y HA 0.477 5.027 4.550 0.000 0.000 0.329 126 Y C -2.317 173.517 175.900 -0.110 0.000 1.127 126 Y CA -2.407 55.603 58.100 -0.151 0.000 1.037 126 Y CB 1.168 39.548 38.460 -0.134 0.000 1.320 126 Y HN 0.031 nan 8.280 nan 0.000 0.446 127 Y N 5.959 125.803 120.300 -0.761 0.000 2.457 127 Y HA 0.629 5.179 4.550 0.000 0.000 0.343 127 Y C -1.565 173.910 175.900 -0.709 0.000 0.994 127 Y CA -0.894 56.864 58.100 -0.570 0.000 1.031 127 Y CB 1.596 39.909 38.460 -0.245 0.000 1.246 127 Y HN 0.688 nan 8.280 nan 0.000 0.449 128 K N 5.218 124.961 120.400 -1.095 0.000 2.464 128 K HA 0.789 5.109 4.320 0.000 0.000 0.253 128 K C -2.397 173.837 176.600 -0.610 0.000 0.933 128 K CA -0.864 55.036 56.287 -0.644 0.000 0.801 128 K CB 2.312 34.606 32.500 -0.344 0.000 1.271 128 K HN 0.561 nan 8.250 nan 0.000 0.430 129 V N 4.217 124.044 119.914 -0.145 0.000 2.971 129 V HA 0.423 4.543 4.120 0.000 0.000 0.309 129 V C -1.997 174.218 176.094 0.202 0.000 1.130 129 V CA -0.716 61.614 62.300 0.051 0.000 0.964 129 V CB 1.787 33.701 31.823 0.151 0.000 1.029 129 V HN 0.812 nan 8.190 nan 0.000 0.427 130 Y N 6.203 126.571 120.300 0.113 0.000 2.425 130 Y HA 0.567 5.117 4.550 0.000 0.000 0.347 130 Y C -0.132 175.875 175.900 0.180 0.000 0.976 130 Y CA -0.618 57.559 58.100 0.128 0.000 1.190 130 Y CB 0.993 39.513 38.460 0.100 0.000 1.136 130 Y HN 0.607 nan 8.280 nan 0.000 0.517 131 L N 8.118 129.167 121.223 -0.291 0.000 2.401 131 L HA 0.231 4.571 4.340 0.000 0.000 0.283 131 L C 1.507 178.083 176.870 -0.491 0.000 1.151 131 L CA 0.028 54.748 54.840 -0.200 0.000 0.942 131 L CB 0.125 42.195 42.059 0.019 0.000 1.283 131 L HN 0.954 nan 8.230 nan 0.000 0.442 132 A N 2.794 125.410 122.820 -0.340 0.000 1.915 132 A HA -0.234 4.086 4.320 0.000 0.000 0.220 132 A C 1.986 179.472 177.584 -0.162 0.000 1.198 132 A CA 1.815 53.724 52.037 -0.213 0.000 0.647 132 A CB -0.267 18.789 19.000 0.094 0.000 0.825 132 A HN 0.774 nan 8.150 nan 0.000 0.456 133 E N -1.553 118.542 120.200 -0.175 0.000 2.511 133 E HA -0.078 4.272 4.350 0.000 0.000 0.196 133 E C 0.504 176.899 176.600 -0.341 0.000 1.066 133 E CA 0.523 56.776 56.400 -0.245 0.000 0.871 133 E CB -0.035 29.491 29.700 -0.291 0.000 0.863 133 E HN 0.761 nan 8.360 nan 0.000 0.520 134 H N -0.438 118.598 119.070 -0.057 0.000 3.233 134 H HA 0.035 4.591 4.556 0.000 0.000 0.263 134 H C -0.068 175.239 175.328 -0.034 0.000 1.168 134 H CA -0.076 55.957 56.048 -0.025 0.000 1.159 134 H CB 0.512 30.259 29.762 -0.025 0.000 1.593 134 H HN 0.053 nan 8.280 nan 0.000 0.580 135 D N 1.283 121.669 120.400 -0.023 0.000 2.692 135 D HA -0.198 4.442 4.640 0.000 0.000 0.233 135 D C -0.591 175.746 176.300 0.062 0.000 1.172 135 D CA 0.413 54.443 54.000 0.050 0.000 0.636 135 D CB -1.551 39.363 40.800 0.189 0.000 1.028 135 D HN 0.455 nan 8.370 nan 0.000 0.419 136 I N 0.282 120.775 120.570 -0.130 0.000 2.436 136 I HA 0.270 4.440 4.170 0.000 0.000 0.289 136 I C 0.360 176.479 176.117 0.002 0.000 1.010 136 I CA -1.232 60.023 61.300 -0.074 0.000 1.098 136 I CB 2.035 39.940 38.000 -0.159 0.000 1.266 136 I HN -0.238 nan 8.210 nan 0.000 0.434 137 V N 5.173 125.164 119.914 0.128 0.000 2.583 137 V HA 0.294 4.414 4.120 0.000 0.000 0.287 137 V C 0.262 176.403 176.094 0.079 0.000 1.051 137 V CA 0.009 62.406 62.300 0.161 0.000 1.010 137 V CB 1.409 33.332 31.823 0.167 0.000 0.988 137 V HN 0.732 nan 8.190 nan 0.000 0.478 138 T N 5.241 119.836 114.554 0.068 0.000 2.807 138 T HA 0.547 4.897 4.350 0.000 0.000 0.279 138 T C -0.496 174.123 174.700 -0.135 0.000 0.993 138 T CA -0.591 61.468 62.100 -0.068 0.000 0.970 138 T CB 1.357 70.109 68.868 -0.193 0.000 0.950 138 T HN 0.742 nan 8.240 nan 0.000 0.441 139 E N 2.555 122.614 120.200 -0.236 0.000 2.299 139 E HA 0.769 5.119 4.350 0.000 0.000 0.265 139 E C -0.572 175.783 176.600 -0.408 0.000 0.911 139 E CA -1.039 55.194 56.400 -0.279 0.000 0.789 139 E CB 2.243 31.870 29.700 -0.122 0.000 1.246 139 E HN 0.696 nan 8.360 nan 0.000 0.427 140 M N -0.711 118.610 119.600 -0.464 0.000 2.307 140 M HA 0.415 4.896 4.480 0.000 0.000 0.279 140 M C -1.624 174.452 176.300 -0.374 0.000 1.080 140 M CA -0.760 54.140 55.300 -0.666 0.000 0.964 140 M CB 1.941 33.906 32.600 -1.059 0.000 1.825 140 M HN 0.366 nan 8.290 nan 0.000 0.489 141 T N 1.016 115.394 114.554 -0.294 0.000 2.965 141 T HA 0.777 5.127 4.350 0.000 0.000 0.306 141 T C -3.151 171.484 174.700 -0.109 0.000 0.991 141 T CA -1.310 60.757 62.100 -0.056 0.000 1.001 141 T CB 1.568 70.479 68.868 0.072 0.000 0.984 141 T HN 0.576 nan 8.240 nan 0.000 0.446 142 P HA 0.516 nan 4.420 nan 0.000 0.283 142 P C 0.022 177.389 177.300 0.112 0.000 1.271 142 P CA -0.337 62.770 63.100 0.012 0.000 0.841 142 P CB 1.613 33.406 31.700 0.156 0.000 1.122 143 T N -3.179 111.448 114.554 0.121 0.000 2.797 143 T HA 0.321 4.671 4.350 0.000 0.000 0.267 143 T C 1.201 176.006 174.700 0.176 0.000 0.986 143 T CA -0.419 61.761 62.100 0.132 0.000 0.999 143 T CB 0.235 69.160 68.868 0.095 0.000 1.508 143 T HN 0.305 nan 8.240 nan 0.000 0.595 144 E N 0.262 120.547 120.200 0.142 0.000 2.110 144 E HA -0.060 4.290 4.350 0.000 0.000 0.193 144 E C 2.000 178.700 176.600 0.166 0.000 0.988 144 E CA 0.963 57.451 56.400 0.147 0.000 0.804 144 E CB -0.002 29.751 29.700 0.089 0.000 0.745 144 E HN 0.458 nan 8.360 nan 0.000 0.458 145 R N -1.116 119.479 120.500 0.159 0.000 2.521 145 R HA 0.330 4.670 4.340 0.000 0.000 0.289 145 R C 0.031 176.482 176.300 0.252 0.000 0.936 145 R CA 0.027 56.234 56.100 0.178 0.000 1.089 145 R CB 1.458 31.823 30.300 0.109 0.000 1.348 145 R HN -0.049 nan 8.270 nan 0.000 0.536 146 A N 0.458 123.419 122.820 0.235 0.000 2.437 146 A HA 0.833 5.153 4.320 0.000 0.000 0.288 146 A C -1.301 176.365 177.584 0.137 0.000 1.201 146 A CA -0.652 51.518 52.037 0.221 0.000 0.795 146 A CB 2.072 21.152 19.000 0.133 0.000 1.359 146 A HN -0.057 nan 8.150 nan 0.000 0.435 147 V N -0.348 119.543 119.914 -0.037 0.000 3.147 147 V HA 0.622 4.742 4.120 0.000 0.000 0.299 147 V C -2.139 173.763 176.094 -0.321 0.000 1.302 147 V CA -0.542 61.554 62.300 -0.340 0.000 1.015 147 V CB 2.010 33.216 31.823 -1.029 0.000 1.086 147 V HN 1.255 nan 8.190 nan 0.000 0.437 148 L N 5.424 126.427 121.223 -0.367 0.000 2.305 148 L HA 0.730 5.070 4.340 0.000 0.000 0.284 148 L C -1.201 175.388 176.870 -0.468 0.000 1.013 148 L CA 0.219 54.898 54.840 -0.268 0.000 0.819 148 L CB 1.185 43.153 42.059 -0.152 0.000 1.227 148 L HN 0.572 nan 8.230 nan 0.000 0.417 149 F N 4.161 123.895 119.950 -0.359 0.000 2.403 149 F HA 0.652 5.179 4.527 0.000 0.000 0.326 149 F C 0.376 175.883 175.800 -0.488 0.000 1.081 149 F CA -0.354 57.321 58.000 -0.542 0.000 1.041 149 F CB 1.386 39.948 39.000 -0.730 0.000 1.234 149 F HN 0.415 nan 8.300 nan 0.000 0.503 150 R N 2.914 123.169 120.500 -0.408 0.000 2.569 150 R HA 0.373 4.713 4.340 0.000 0.000 0.293 150 R C -2.082 174.009 176.300 -0.349 0.000 1.186 150 R CA -0.445 55.500 56.100 -0.259 0.000 0.956 150 R CB 0.538 30.782 30.300 -0.093 0.000 1.196 150 R HN 0.524 nan 8.270 nan 0.000 0.444 151 F N 1.831 121.834 119.950 0.088 0.000 2.404 151 F HA 0.313 4.840 4.527 0.000 0.000 0.345 151 F C 0.775 176.579 175.800 0.007 0.000 1.110 151 F CA -0.530 57.443 58.000 -0.045 0.000 1.130 151 F CB 2.165 41.095 39.000 -0.116 0.000 1.129 151 F HN 0.218 nan 8.300 nan 0.000 0.500 152 T N 4.886 119.501 114.554 0.100 0.000 3.145 152 T HA 0.342 4.692 4.350 0.000 0.000 0.362 152 T C -0.269 174.501 174.700 0.116 0.000 1.340 152 T CA -0.377 61.805 62.100 0.137 0.000 1.069 152 T CB -0.521 68.415 68.868 0.113 0.000 1.129 152 T HN 0.188 nan 8.240 nan 0.000 0.585 153 F N 4.712 124.761 119.950 0.165 0.000 2.406 153 F HA 0.382 4.909 4.527 0.000 0.000 0.327 153 F C -1.580 174.294 175.800 0.123 0.000 1.153 153 F CA -1.949 56.138 58.000 0.145 0.000 1.218 153 F CB 0.703 39.780 39.000 0.128 0.000 1.215 153 F HN 0.256 nan 8.300 nan 0.000 0.570 154 P HA 0.098 nan 4.420 nan 0.000 0.298 154 P C -1.193 176.233 177.300 0.209 0.000 1.314 154 P CA -0.663 62.576 63.100 0.232 0.000 0.854 154 P CB 1.274 33.104 31.700 0.217 0.000 1.019 155 E N 3.846 124.131 120.200 0.143 0.000 2.820 155 E HA -0.090 4.260 4.350 0.000 0.000 0.251 155 E C -0.568 176.092 176.600 0.100 0.000 0.944 155 E CA 0.701 57.161 56.400 0.099 0.000 0.955 155 E CB -0.179 29.564 29.700 0.072 0.000 0.904 155 E HN 0.350 nan 8.360 nan 0.000 0.513 156 N N 3.574 122.317 118.700 0.072 0.000 3.049 156 N HA 0.017 4.757 4.740 0.000 0.000 0.244 156 N C -0.837 174.674 175.510 0.002 0.000 1.203 156 N CA -0.540 52.557 53.050 0.079 0.000 0.945 156 N CB 1.513 40.085 38.487 0.141 0.000 1.616 156 N HN 0.398 nan 8.380 nan 0.000 0.505 157 D N -0.093 120.311 120.400 0.007 0.000 2.224 157 D HA -0.002 4.638 4.640 0.000 0.000 0.205 157 D C -0.145 175.867 176.300 -0.480 0.000 0.965 157 D CA 1.285 55.155 54.000 -0.217 0.000 0.852 157 D CB 0.161 40.842 40.800 -0.198 0.000 0.947 157 D HN 0.407 nan 8.370 nan 0.000 0.494 158 H N -0.007 119.044 119.070 -0.032 0.000 2.355 158 H HA 0.310 4.866 4.556 0.000 0.000 0.232 158 H C -0.390 174.963 175.328 0.041 0.000 1.422 158 H CA -0.221 55.826 56.048 -0.002 0.000 1.261 158 H CB 0.192 30.095 29.762 0.235 0.000 1.595 158 H HN -0.160 nan 8.280 nan 0.000 0.529 159 S N 1.856 117.420 115.700 -0.227 0.000 2.465 159 S HA 0.363 4.833 4.470 0.000 0.000 0.279 159 S C -0.465 173.755 174.600 -0.633 0.000 1.201 159 S CA -0.416 57.623 58.200 -0.268 0.000 1.053 159 S CB 0.383 63.161 63.200 -0.704 0.000 0.953 159 S HN 0.295 nan 8.310 nan 0.000 0.488 160 Y N 0.412 120.526 120.300 -0.310 0.000 2.693 160 Y HA 0.749 5.299 4.550 0.000 0.000 0.331 160 Y C -0.184 175.542 175.900 -0.290 0.000 1.092 160 Y CA -1.540 56.290 58.100 -0.451 0.000 1.131 160 Y CB 0.829 39.063 38.460 -0.377 0.000 1.318 160 Y HN 0.297 nan 8.280 nan 0.000 0.510 161 V N 1.604 121.402 119.914 -0.194 0.000 2.623 161 V HA 0.498 4.618 4.120 0.000 0.000 0.304 161 V C -0.949 175.090 176.094 -0.092 0.000 1.054 161 V CA -0.873 61.312 62.300 -0.192 0.000 0.882 161 V CB 1.767 33.468 31.823 -0.205 0.000 1.002 161 V HN 0.542 nan 8.190 nan 0.000 0.424 162 V N 5.057 124.954 119.914 -0.029 0.000 2.532 162 V HA 0.613 4.733 4.120 0.000 0.000 0.295 162 V C -0.298 175.889 176.094 0.156 0.000 1.041 162 V CA -0.602 61.745 62.300 0.079 0.000 0.926 162 V CB 2.024 33.881 31.823 0.058 0.000 0.992 162 V HN 0.589 nan 8.190 nan 0.000 0.457 163 V N 3.143 123.213 119.914 0.260 0.000 2.482 163 V HA 0.430 4.550 4.120 0.000 0.000 0.295 163 V C -0.980 175.371 176.094 0.428 0.000 1.026 163 V CA -0.451 62.029 62.300 0.301 0.000 0.856 163 V CB 1.824 33.818 31.823 0.285 0.000 1.001 163 V HN 0.938 nan 8.190 nan 0.000 0.424 164 D N 3.981 124.634 120.400 0.421 0.000 2.425 164 D HA 0.592 5.232 4.640 0.000 0.000 0.240 164 D C 0.493 177.169 176.300 0.626 0.000 1.080 164 D CA -0.286 54.037 54.000 0.539 0.000 0.836 164 D CB 2.280 43.227 40.800 0.244 0.000 1.125 164 D HN 0.544 nan 8.370 nan 0.000 0.525 165 A N 3.807 127.002 122.820 0.625 0.000 2.275 165 A HA 0.338 4.658 4.320 0.000 0.000 0.212 165 A C 0.271 178.225 177.584 0.615 0.000 1.201 165 A CA -0.115 52.252 52.037 0.549 0.000 0.843 165 A CB -0.554 18.739 19.000 0.490 0.000 0.873 165 A HN 0.539 nan 8.150 nan 0.000 0.492 166 F N -0.468 119.588 119.950 0.177 0.000 2.182 166 F HA -0.188 4.339 4.527 0.000 0.000 0.318 166 F C 0.550 176.143 175.800 -0.345 0.000 0.140 166 F CA 0.477 58.377 58.000 -0.166 0.000 0.912 166 F CB -0.980 38.002 39.000 -0.030 0.000 4.133 166 F HN 0.565 nan 8.300 nan 0.000 0.139 167 D N 0.028 120.255 120.400 -0.288 0.000 2.560 167 D HA 0.419 5.059 4.640 0.000 0.000 0.277 167 D C 0.278 176.621 176.300 0.072 0.000 1.194 167 D CA 0.066 53.970 54.000 -0.161 0.000 1.092 167 D CB 0.501 41.183 40.800 -0.196 0.000 1.169 167 D HN 0.477 nan 8.370 nan 0.000 0.607 168 K N -1.670 118.786 120.400 0.093 0.000 3.446 168 K HA -0.056 4.264 4.320 0.000 0.000 0.312 168 K C 0.280 176.968 176.600 0.147 0.000 1.329 168 K CA 1.132 57.490 56.287 0.119 0.000 0.935 168 K CB -2.084 30.490 32.500 0.124 0.000 1.281 168 K HN 1.312 nan 8.250 nan 0.000 0.457 169 G N 0.257 109.155 108.800 0.164 0.000 2.730 169 G HA2 0.037 3.997 3.960 0.000 0.000 0.644 169 G HA3 0.037 3.997 3.960 0.000 0.000 0.644 169 G C -0.242 174.806 174.900 0.247 0.000 1.168 169 G CA -0.037 45.181 45.100 0.196 0.000 1.240 169 G HN 0.578 nan 8.290 nan 0.000 0.551 170 S N 0.777 116.597 115.700 0.200 0.000 2.841 170 S HA 0.940 5.410 4.470 0.000 0.000 0.318 170 S C -0.782 173.783 174.600 -0.059 0.000 1.127 170 S CA -1.046 57.243 58.200 0.148 0.000 0.883 170 S CB 2.716 66.046 63.200 0.218 0.000 1.271 170 S HN 1.939 nan 8.310 nan 0.000 0.567 171 Y N -0.460 119.568 120.300 -0.453 0.000 2.474 171 Y HA 0.712 5.262 4.550 0.000 0.000 0.326 171 Y C -2.198 173.504 175.900 -0.329 0.000 1.160 171 Y CA -0.924 56.853 58.100 -0.538 0.000 1.056 171 Y CB 1.108 38.911 38.460 -1.095 0.000 1.330 171 Y HN 0.903 nan 8.280 nan 0.000 0.447 172 I N 5.784 125.846 120.570 -0.847 0.000 2.656 172 I HA 0.576 4.746 4.170 0.000 0.000 0.292 172 I C -1.990 173.719 176.117 -0.679 0.000 1.144 172 I CA -0.440 60.550 61.300 -0.515 0.000 1.038 172 I CB 2.023 39.933 38.000 -0.150 0.000 1.244 172 I HN 0.660 nan 8.210 nan 0.000 0.420 173 K N 7.815 127.975 120.400 -0.401 0.000 2.513 173 K HA 0.671 4.991 4.320 0.000 0.000 0.251 173 K C -1.983 174.574 176.600 -0.071 0.000 0.939 173 K CA -0.540 55.589 56.287 -0.264 0.000 0.793 173 K CB 1.417 33.773 32.500 -0.240 0.000 1.241 173 K HN 0.595 nan 8.250 nan 0.000 0.431 174 I N 5.254 125.806 120.570 -0.030 0.000 2.359 174 I HA 0.377 4.547 4.170 0.000 0.000 0.294 174 I C -0.154 175.996 176.117 0.055 0.000 0.987 174 I CA -0.868 60.480 61.300 0.081 0.000 1.225 174 I CB 1.341 39.399 38.000 0.096 0.000 1.366 174 I HN 0.584 nan 8.210 nan 0.000 0.466 175 I N 8.261 128.879 120.570 0.081 0.000 2.862 175 I HA 0.198 4.368 4.170 0.000 0.000 0.285 175 I C -1.509 174.552 176.117 -0.093 0.000 1.339 175 I CA -1.486 59.810 61.300 -0.007 0.000 1.002 175 I CB 1.294 39.288 38.000 -0.009 0.000 1.618 175 I HN 0.356 nan 8.210 nan 0.000 0.593 176 P HA -0.240 nan 4.420 nan 0.000 0.218 176 P C 1.032 178.161 177.300 -0.285 0.000 1.154 176 P CA 1.673 64.573 63.100 -0.333 0.000 0.872 176 P CB 0.275 31.876 31.700 -0.166 0.000 0.790 177 E N 0.230 120.336 120.200 -0.156 0.000 2.171 177 E HA -0.202 4.148 4.350 0.000 0.000 0.197 177 E C 1.396 177.931 176.600 -0.108 0.000 0.997 177 E CA 1.469 57.802 56.400 -0.112 0.000 0.810 177 E CB -0.641 29.016 29.700 -0.071 0.000 0.738 177 E HN 0.627 nan 8.360 nan 0.000 0.467 178 E N -0.466 119.669 120.200 -0.108 0.000 2.693 178 E HA 0.209 4.559 4.350 0.000 0.000 0.214 178 E C -0.432 176.135 176.600 -0.056 0.000 0.990 178 E CA -0.415 55.947 56.400 -0.063 0.000 1.047 178 E CB 0.178 29.866 29.700 -0.020 0.000 1.039 178 E HN -0.066 nan 8.360 nan 0.000 0.475 179 N N 1.656 120.230 118.700 -0.209 0.000 2.771 179 N HA -0.153 4.587 4.740 0.000 0.000 0.249 179 N C -1.190 174.465 175.510 0.242 0.000 1.069 179 N CA 1.029 53.940 53.050 -0.231 0.000 0.688 179 N CB -0.901 37.644 38.487 0.098 0.000 0.928 179 N HN 0.434 nan 8.380 nan 0.000 0.551 180 K N 0.626 121.147 120.400 0.202 0.000 2.468 180 K HA 0.606 4.926 4.320 0.000 0.000 0.252 180 K C -0.819 176.014 176.600 0.388 0.000 0.932 180 K CA -0.600 55.880 56.287 0.322 0.000 0.794 180 K CB 1.415 33.998 32.500 0.138 0.000 1.241 180 K HN 0.127 nan 8.250 nan 0.000 0.428 181 I N 6.244 127.059 120.570 0.408 0.000 2.433 181 I HA 0.453 4.623 4.170 0.000 0.000 0.292 181 I C -0.024 176.236 176.117 0.237 0.000 1.001 181 I CA -1.046 60.446 61.300 0.321 0.000 1.119 181 I CB 1.547 39.787 38.000 0.400 0.000 1.289 181 I HN 0.594 nan 8.210 nan 0.000 0.438 182 I N 1.940 122.579 120.570 0.114 0.000 3.108 182 I HA 1.089 5.259 4.170 0.000 0.000 0.312 182 I C -0.100 175.956 176.117 -0.100 0.000 1.095 182 I CA -0.569 60.749 61.300 0.030 0.000 1.000 182 I CB 2.479 40.413 38.000 -0.111 0.000 1.229 182 I HN 0.680 nan 8.210 nan 0.000 0.454 183 G N 1.498 110.103 108.800 -0.325 0.000 2.320 183 G HA2 0.438 4.398 3.960 0.000 0.000 0.297 183 G HA3 0.438 4.398 3.960 0.000 0.000 0.297 183 G C -2.201 172.081 174.900 -1.031 0.000 1.344 183 G CA -0.408 44.430 45.100 -0.437 0.000 0.851 183 G HN 1.291 nan 8.290 nan 0.000 0.567 184 Y N -1.532 118.527 120.300 -0.402 0.000 2.562 184 Y HA 0.872 5.422 4.550 0.000 0.000 0.345 184 Y C -0.364 175.555 175.900 0.032 0.000 1.045 184 Y CA -1.247 56.622 58.100 -0.384 0.000 1.028 184 Y CB 1.646 39.760 38.460 -0.576 0.000 1.297 184 Y HN 0.875 nan 8.280 nan 0.000 0.463 185 T N 0.477 115.242 114.554 0.352 0.000 2.888 185 T HA 0.508 4.858 4.350 0.000 0.000 0.284 185 T C 0.447 175.243 174.700 0.160 0.000 1.017 185 T CA 0.145 62.434 62.100 0.316 0.000 1.022 185 T CB 1.136 70.180 68.868 0.294 0.000 1.013 185 T HN 1.122 nan 8.240 nan 0.000 0.465 186 T N 0.965 115.647 114.554 0.214 0.000 3.004 186 T HA 0.315 4.665 4.350 0.000 0.000 0.266 186 T C 0.773 175.681 174.700 0.346 0.000 0.986 186 T CA -0.424 61.790 62.100 0.189 0.000 0.902 186 T CB -0.049 68.911 68.868 0.154 0.000 1.118 186 T HN 0.578 nan 8.240 nan 0.000 0.522 187 R N 3.320 123.992 120.500 0.288 0.000 2.480 187 R HA 0.148 4.488 4.340 0.000 0.000 0.303 187 R C -0.389 176.087 176.300 0.293 0.000 0.985 187 R CA 0.426 56.682 56.100 0.261 0.000 1.051 187 R CB 0.112 30.559 30.300 0.245 0.000 0.935 187 R HN 0.695 nan 8.270 nan 0.000 0.410 188 N N 1.282 120.121 118.700 0.232 0.000 2.525 188 N HA 0.111 4.851 4.740 0.000 0.000 0.270 188 N C -1.021 174.549 175.510 0.099 0.000 1.321 188 N CA -0.858 52.301 53.050 0.181 0.000 0.797 188 N CB 1.873 40.393 38.487 0.055 0.000 1.529 188 N HN 0.301 nan 8.380 nan 0.000 0.491 189 S N -0.863 114.877 115.700 0.067 0.000 2.582 189 S HA 0.484 4.954 4.470 0.000 0.000 0.234 189 S C 0.753 175.338 174.600 -0.024 0.000 0.961 189 S CA 0.050 58.267 58.200 0.029 0.000 0.953 189 S CB -0.461 62.758 63.200 0.031 0.000 0.800 189 S HN 1.146 nan 8.310 nan 0.000 0.471 190 G N 0.261 109.024 108.800 -0.061 0.000 2.479 190 G HA2 0.396 4.356 3.960 0.000 0.000 0.686 190 G HA3 0.396 4.356 3.960 0.000 0.000 0.686 190 G C 0.303 175.092 174.900 -0.185 0.000 1.295 190 G CA -0.440 44.602 45.100 -0.096 0.000 0.922 190 G HN 1.189 nan 8.290 nan 0.000 0.582 191 G N -2.287 106.407 108.800 -0.178 0.000 2.221 191 G HA2 0.267 4.227 3.960 0.000 0.000 0.265 191 G HA3 0.267 4.227 3.960 0.000 0.000 0.265 191 G C 0.868 175.539 174.900 -0.383 0.000 1.041 191 G CA 1.479 46.433 45.100 -0.245 0.000 0.807 191 G HN 2.420 nan 8.290 nan 0.000 0.502 192 V N -3.353 116.361 119.914 -0.333 0.000 2.960 192 V HA 0.981 5.101 4.120 0.000 0.000 0.315 192 V C -2.060 173.957 176.094 -0.128 0.000 1.087 192 V CA -2.587 59.496 62.300 -0.362 0.000 0.982 192 V CB 1.904 33.392 31.823 -0.558 0.000 1.039 192 V HN 0.102 nan 8.190 nan 0.000 0.437 193 P HA 0.420 nan 4.420 nan 0.000 0.277 193 P C 0.501 177.900 177.300 0.165 0.000 1.240 193 P CA -0.372 62.778 63.100 0.083 0.000 0.798 193 P CB 0.752 32.522 31.700 0.116 0.000 0.979 194 E N 1.263 121.535 120.200 0.121 0.000 2.130 194 E HA -0.225 4.125 4.350 0.000 0.000 0.196 194 E C 1.014 177.693 176.600 0.131 0.000 0.998 194 E CA 1.289 57.758 56.400 0.115 0.000 0.806 194 E CB -0.305 29.444 29.700 0.082 0.000 0.738 194 E HN 0.535 nan 8.360 nan 0.000 0.459 195 N N 0.943 119.736 118.700 0.155 0.000 2.421 195 N HA -0.101 4.639 4.740 0.000 0.000 0.201 195 N C -0.125 175.429 175.510 0.073 0.000 1.198 195 N CA -0.100 53.014 53.050 0.106 0.000 0.838 195 N CB -0.512 38.055 38.487 0.133 0.000 1.011 195 N HN 0.007 nan 8.380 nan 0.000 0.463 196 F N 2.252 122.212 119.950 0.016 0.000 2.538 196 F HA 0.265 4.792 4.527 0.000 0.000 0.371 196 F C -0.022 175.648 175.800 -0.215 0.000 1.087 196 F CA -0.058 57.908 58.000 -0.057 0.000 1.250 196 F CB 0.439 39.466 39.000 0.045 0.000 1.110 196 F HN -0.067 nan 8.300 nan 0.000 0.570 197 K N 5.058 124.622 120.400 -1.394 0.000 2.542 197 K HA 0.182 4.502 4.320 0.000 0.000 0.259 197 K C -1.481 174.309 176.600 -1.351 0.000 0.932 197 K CA -1.040 54.400 56.287 -1.411 0.000 0.820 197 K CB 1.981 33.586 32.500 -1.493 0.000 1.345 197 K HN 0.642 nan 8.250 nan 0.000 0.432 198 N N 2.511 120.620 118.700 -0.984 0.000 2.424 198 N HA 0.254 4.994 4.740 0.000 0.000 0.271 198 N C -1.381 173.775 175.510 -0.591 0.000 0.985 198 N CA -0.331 52.293 53.050 -0.711 0.000 0.921 198 N CB 0.705 38.974 38.487 -0.363 0.000 1.149 198 N HN 0.403 nan 8.380 nan 0.000 0.492 199 Y N 3.697 123.702 120.300 -0.492 0.000 2.320 199 Y HA 0.359 4.909 4.550 0.000 0.000 0.334 199 Y C 0.052 175.759 175.900 -0.321 0.000 1.055 199 Y CA -0.693 57.017 58.100 -0.649 0.000 1.143 199 Y CB 0.652 38.518 38.460 -0.990 0.000 1.193 199 Y HN 0.332 nan 8.280 nan 0.000 0.477 200 F N 0.969 120.885 119.950 -0.057 0.000 2.603 200 F HA 0.913 5.440 4.527 0.000 0.000 0.317 200 F C -1.534 174.342 175.800 0.128 0.000 1.066 200 F CA -2.025 55.945 58.000 -0.051 0.000 0.941 200 F CB 1.413 40.102 39.000 -0.519 0.000 1.291 200 F HN 0.215 nan 8.300 nan 0.000 0.472 201 I N 2.671 123.475 120.570 0.390 0.000 2.644 201 I HA 0.458 4.628 4.170 0.000 0.000 0.291 201 I C -1.370 174.903 176.117 0.260 0.000 1.180 201 I CA -0.632 60.846 61.300 0.296 0.000 1.040 201 I CB 2.498 40.631 38.000 0.222 0.000 1.255 201 I HN 0.575 nan 8.210 nan 0.000 0.422 202 I N 5.170 125.864 120.570 0.207 0.000 2.466 202 I HA 0.363 4.533 4.170 0.000 0.000 0.289 202 I C -0.764 175.336 176.117 -0.029 0.000 1.026 202 I CA -0.461 60.870 61.300 0.051 0.000 1.078 202 I CB 2.037 40.048 38.000 0.017 0.000 1.249 202 I HN 0.498 nan 8.210 nan 0.000 0.429 203 E N 6.144 126.282 120.200 -0.103 0.000 2.186 203 E HA 0.431 4.781 4.350 0.000 0.000 0.255 203 E C -1.373 175.213 176.600 -0.023 0.000 0.881 203 E CA -0.544 55.863 56.400 0.011 0.000 0.752 203 E CB 1.565 31.304 29.700 0.065 0.000 1.176 203 E HN 0.289 nan 8.360 nan 0.000 0.421 204 F N 2.193 122.319 119.950 0.294 0.000 2.384 204 F HA 0.115 4.642 4.527 0.000 0.000 0.338 204 F C 1.444 177.379 175.800 0.226 0.000 1.103 204 F CA -0.738 57.450 58.000 0.314 0.000 1.157 204 F CB 0.804 40.091 39.000 0.479 0.000 1.167 204 F HN 0.433 nan 8.300 nan 0.000 0.529 205 D N 0.880 121.484 120.400 0.340 0.000 2.336 205 D HA 0.010 4.650 4.640 0.000 0.000 0.228 205 D C -0.047 176.339 176.300 0.142 0.000 1.120 205 D CA 0.089 54.205 54.000 0.193 0.000 0.839 205 D CB 0.121 40.998 40.800 0.127 0.000 0.932 205 D HN 0.329 nan 8.370 nan 0.000 0.509 206 K N 1.056 121.567 120.400 0.185 0.000 2.535 206 K HA 0.357 4.677 4.320 0.000 0.000 0.250 206 K C -3.249 173.439 176.600 0.146 0.000 0.948 206 K CA -1.763 54.536 56.287 0.020 0.000 0.796 206 K CB 2.499 34.858 32.500 -0.235 0.000 1.216 206 K HN -0.228 nan 8.250 nan 0.000 0.432 207 P HA 0.127 nan 4.420 nan 0.000 0.271 207 P C -0.633 176.936 177.300 0.449 0.000 1.218 207 P CA -0.221 62.982 63.100 0.173 0.000 0.780 207 P CB 0.139 31.865 31.700 0.042 0.000 0.901 208 F N 0.687 120.703 119.950 0.109 0.000 2.504 208 F HA 0.137 4.664 4.527 0.000 0.000 0.369 208 F C 1.853 177.668 175.800 0.025 0.000 1.082 208 F CA -0.123 57.909 58.000 0.054 0.000 1.216 208 F CB -0.709 38.254 39.000 -0.062 0.000 1.108 208 F HN 0.231 nan 8.300 nan 0.000 0.554 209 T N 2.241 116.912 114.554 0.195 0.000 3.014 209 T HA 0.032 4.382 4.350 0.000 0.000 0.250 209 T C -0.593 174.151 174.700 0.073 0.000 1.060 209 T CA 0.515 62.669 62.100 0.089 0.000 1.040 209 T CB -0.229 68.664 68.868 0.042 0.000 0.971 209 T HN 0.497 nan 8.240 nan 0.000 0.497 210 Y N 1.946 122.172 120.300 -0.123 0.000 2.581 210 Y HA 0.582 5.132 4.550 0.000 0.000 0.345 210 Y C -1.726 174.112 175.900 -0.103 0.000 1.036 210 Y CA -1.448 56.585 58.100 -0.112 0.000 1.042 210 Y CB 1.298 39.664 38.460 -0.157 0.000 1.289 210 Y HN -0.035 nan 8.280 nan 0.000 0.471 211 K N 3.332 123.219 120.400 -0.854 0.000 2.592 211 K HA 0.813 5.133 4.320 0.000 0.000 0.259 211 K C -2.363 173.874 176.600 -0.605 0.000 0.937 211 K CA -0.754 55.224 56.287 -0.516 0.000 0.874 211 K CB 1.141 33.563 32.500 -0.130 0.000 1.339 211 K HN 0.990 nan 8.250 nan 0.000 0.425 212 A N 1.355 123.951 122.820 -0.373 0.000 2.572 212 A HA 0.782 5.102 4.320 0.000 0.000 0.295 212 A C -0.790 176.698 177.584 -0.159 0.000 1.072 212 A CA -0.608 51.278 52.037 -0.251 0.000 0.691 212 A CB 1.808 20.690 19.000 -0.198 0.000 1.291 212 A HN 0.838 nan 8.150 nan 0.000 0.404 213 T N -1.031 113.425 114.554 -0.164 0.000 2.925 213 T HA 0.731 5.081 4.350 0.000 0.000 0.285 213 T C -0.185 174.369 174.700 -0.244 0.000 1.021 213 T CA -0.619 61.370 62.100 -0.185 0.000 1.042 213 T CB 1.250 70.014 68.868 -0.173 0.000 1.037 213 T HN 0.824 nan 8.240 nan 0.000 0.481 214 V N 1.394 121.087 119.914 -0.368 0.000 2.850 214 V HA 0.696 4.816 4.120 0.000 0.000 0.315 214 V C -0.004 175.869 176.094 -0.368 0.000 1.064 214 V CA -0.788 61.212 62.300 -0.500 0.000 0.979 214 V CB 1.646 32.806 31.823 -1.106 0.000 1.039 214 V HN 1.048 nan 8.190 nan 0.000 0.452 215 E N 2.495 122.519 120.200 -0.292 0.000 2.738 215 E HA 0.201 4.551 4.350 0.000 0.000 0.347 215 E C -0.592 175.939 176.600 -0.114 0.000 1.077 215 E CA -0.308 55.996 56.400 -0.160 0.000 0.755 215 E CB 0.479 30.109 29.700 -0.116 0.000 1.576 215 E HN 0.875 nan 8.360 nan 0.000 0.379 216 N N 2.379 121.025 118.700 -0.089 0.000 2.705 216 N HA -0.314 4.426 4.740 0.000 0.000 0.255 216 N C 0.750 176.224 175.510 -0.059 0.000 1.008 216 N CA 0.652 53.679 53.050 -0.038 0.000 0.742 216 N CB -0.765 37.731 38.487 0.015 0.000 0.906 216 N HN 0.868 nan 8.380 nan 0.000 0.541 217 G N -0.402 108.334 108.800 -0.106 0.000 2.336 217 G HA2 -0.316 3.644 3.960 0.000 0.000 0.233 217 G HA3 -0.316 3.644 3.960 0.000 0.000 0.233 217 G C 0.003 174.853 174.900 -0.082 0.000 1.053 217 G CA 0.042 45.117 45.100 -0.041 0.000 0.625 217 G HN 0.467 nan 8.290 nan 0.000 0.511 218 N N 1.545 120.181 118.700 -0.108 0.000 2.400 218 N HA 0.293 5.033 4.740 0.000 0.000 0.267 218 N C -0.029 175.404 175.510 -0.129 0.000 1.208 218 N CA -0.034 52.959 53.050 -0.095 0.000 0.951 218 N CB 1.249 39.691 38.487 -0.075 0.000 1.227 218 N HN 0.348 nan 8.380 nan 0.000 0.488 219 L N 3.592 124.755 121.223 -0.099 0.000 2.500 219 L HA -0.021 4.319 4.340 0.000 0.000 0.272 219 L C 0.178 177.004 176.870 -0.073 0.000 1.149 219 L CA 0.576 55.362 54.840 -0.090 0.000 0.897 219 L CB 0.115 42.156 42.059 -0.029 0.000 1.178 219 L HN 0.334 nan 8.230 nan 0.000 0.473 220 Q N 5.129 124.869 119.800 -0.100 0.000 2.788 220 Q HA 0.189 4.529 4.340 0.000 0.000 0.261 220 Q C -0.306 175.626 176.000 -0.114 0.000 1.029 220 Q CA -0.311 55.437 55.803 -0.092 0.000 0.848 220 Q CB 0.650 29.329 28.738 -0.098 0.000 1.185 220 Q HN 0.636 nan 8.270 nan 0.000 0.482 221 E N 2.314 122.446 120.200 -0.113 0.000 2.568 221 E HA -0.156 4.194 4.350 0.000 0.000 0.262 221 E C 0.029 176.526 176.600 -0.172 0.000 0.961 221 E CA 0.405 56.684 56.400 -0.202 0.000 0.945 221 E CB 0.303 29.900 29.700 -0.171 0.000 0.924 221 E HN 0.384 nan 8.360 nan 0.000 0.467 222 N N 1.005 119.579 118.700 -0.209 0.000 2.815 222 N HA -0.189 4.551 4.740 0.000 0.000 0.247 222 N C -0.985 174.464 175.510 -0.102 0.000 1.030 222 N CA 1.011 53.976 53.050 -0.141 0.000 0.881 222 N CB -1.246 37.172 38.487 -0.114 0.000 1.134 222 N HN 0.190 nan 8.380 nan 0.000 0.582 223 V N 0.657 120.508 119.914 -0.105 0.000 2.461 223 V HA 0.499 4.619 4.120 0.000 0.000 0.275 223 V C 1.535 177.570 176.094 -0.099 0.000 1.047 223 V CA 0.349 62.595 62.300 -0.090 0.000 0.955 223 V CB 1.505 33.275 31.823 -0.087 0.000 0.988 223 V HN 0.320 nan 8.190 nan 0.000 0.471 224 A N 4.143 126.912 122.820 -0.086 0.000 2.132 224 A HA 0.211 4.531 4.320 0.000 0.000 0.213 224 A C 0.758 178.269 177.584 -0.122 0.000 1.154 224 A CA 0.720 52.706 52.037 -0.085 0.000 0.753 224 A CB -0.022 18.941 19.000 -0.063 0.000 0.826 224 A HN 0.943 nan 8.150 nan 0.000 0.469 225 E N -0.889 119.225 120.200 -0.143 0.000 2.392 225 E HA 0.519 4.869 4.350 0.000 0.000 0.279 225 E C -1.770 174.699 176.600 -0.220 0.000 0.964 225 E CA -0.958 55.304 56.400 -0.229 0.000 0.777 225 E CB 0.955 30.518 29.700 -0.228 0.000 1.249 225 E HN 0.017 nan 8.360 nan 0.000 0.449 226 Q N 1.148 120.754 119.800 -0.325 0.000 2.359 226 Q HA 0.419 4.759 4.340 0.000 0.000 0.274 226 Q C -1.247 174.637 176.000 -0.194 0.000 1.074 226 Q CA -0.866 54.812 55.803 -0.208 0.000 0.810 226 Q CB 2.539 31.172 28.738 -0.176 0.000 1.342 226 Q HN 0.675 nan 8.270 nan 0.000 0.427 227 T N 1.500 116.041 114.554 -0.022 0.000 3.226 227 T HA 0.436 4.786 4.350 0.000 0.000 0.378 227 T C -0.547 174.198 174.700 0.075 0.000 1.380 227 T CA -0.192 61.965 62.100 0.095 0.000 1.396 227 T CB 0.744 69.736 68.868 0.206 0.000 1.044 227 T HN 0.548 nan 8.240 nan 0.000 0.586 228 T N 0.345 114.937 114.554 0.064 0.000 2.787 228 T HA 0.316 4.666 4.350 0.000 0.000 0.297 228 T C 0.771 175.540 174.700 0.115 0.000 1.221 228 T CA -0.447 61.698 62.100 0.075 0.000 1.006 228 T CB 1.934 70.827 68.868 0.042 0.000 1.328 228 T HN 0.352 nan 8.240 nan 0.000 0.509 229 D N 0.025 120.497 120.400 0.120 0.000 2.149 229 D HA -0.155 4.485 4.640 0.000 0.000 0.194 229 D C 0.564 176.988 176.300 0.207 0.000 1.001 229 D CA 1.729 55.816 54.000 0.146 0.000 0.849 229 D CB -0.001 40.876 40.800 0.129 0.000 0.939 229 D HN 0.561 nan 8.370 nan 0.000 0.449 230 H N -1.162 117.964 119.070 0.093 0.000 3.108 230 H HA 0.563 5.119 4.556 0.000 0.000 0.301 230 H C -1.387 173.994 175.328 0.088 0.000 1.139 230 H CA -0.876 55.249 56.048 0.128 0.000 1.552 230 H CB 0.817 30.661 29.762 0.137 0.000 1.663 230 H HN 0.121 nan 8.280 nan 0.000 0.517 231 A N 3.439 126.466 122.820 0.345 0.000 2.303 231 A HA 0.792 5.112 4.320 0.000 0.000 0.317 231 A C 0.154 177.841 177.584 0.171 0.000 1.149 231 A CA 0.143 52.257 52.037 0.128 0.000 0.822 231 A CB 1.196 20.225 19.000 0.049 0.000 1.131 231 A HN 0.773 nan 8.150 nan 0.000 0.493 232 G N -1.268 107.462 108.800 -0.117 0.000 2.645 232 G HA2 0.810 4.770 3.960 0.000 0.000 0.292 232 G HA3 0.810 4.770 3.960 0.000 0.000 0.292 232 G C -1.092 173.718 174.900 -0.151 0.000 1.415 232 G CA 0.074 45.117 45.100 -0.094 0.000 0.785 232 G HN 1.883 nan 8.290 nan 0.000 0.483 233 A N -0.614 122.206 122.820 -0.001 0.000 2.574 233 A HA 0.800 5.120 4.320 0.000 0.000 0.297 233 A C -1.373 176.240 177.584 0.047 0.000 1.062 233 A CA -0.493 51.531 52.037 -0.022 0.000 0.686 233 A CB 1.238 20.251 19.000 0.022 0.000 1.285 233 A HN 0.780 nan 8.150 nan 0.000 0.403 234 I N 1.892 122.472 120.570 0.016 0.000 2.509 234 I HA 0.614 4.784 4.170 0.000 0.000 0.293 234 I C -0.921 175.198 176.117 0.003 0.000 1.020 234 I CA -0.827 60.508 61.300 0.058 0.000 1.088 234 I CB 2.049 40.135 38.000 0.144 0.000 1.267 234 I HN 0.675 nan 8.210 nan 0.000 0.430 235 I N 2.442 122.893 120.570 -0.197 0.000 2.686 235 I HA 1.022 5.192 4.170 0.000 0.000 0.295 235 I C -0.299 175.425 176.117 -0.655 0.000 1.114 235 I CA -0.193 60.829 61.300 -0.462 0.000 1.038 235 I CB 2.000 39.271 38.000 -1.215 0.000 1.238 235 I HN 0.552 nan 8.210 nan 0.000 0.420 236 G N 3.470 111.833 108.800 -0.729 0.000 2.708 236 G HA2 0.883 4.843 3.960 0.000 0.000 0.289 236 G HA3 0.883 4.843 3.960 0.000 0.000 0.289 236 G C -1.447 172.709 174.900 -1.239 0.000 1.416 236 G CA -0.884 43.370 45.100 -1.409 0.000 0.829 236 G HN 0.890 nan 8.290 nan 0.000 0.480 237 F N -2.165 117.388 119.950 -0.662 0.000 3.052 237 F HA 0.651 5.178 4.527 0.000 0.000 0.323 237 F C -0.414 175.111 175.800 -0.460 0.000 1.178 237 F CA -1.558 56.174 58.000 -0.447 0.000 0.892 237 F CB 1.362 40.176 39.000 -0.310 0.000 1.416 237 F HN 0.298 nan 8.300 nan 0.000 0.488 238 K N 0.986 121.361 120.400 -0.041 0.000 2.249 238 K HA 0.578 4.898 4.320 0.000 0.000 0.280 238 K C -0.797 175.733 176.600 -0.118 0.000 1.033 238 K CA -0.365 55.854 56.287 -0.114 0.000 0.946 238 K CB 1.594 34.036 32.500 -0.097 0.000 1.005 238 K HN 0.761 nan 8.250 nan 0.000 0.469 239 T N -0.083 114.407 114.554 -0.107 0.000 2.893 239 T HA 0.423 4.773 4.350 0.000 0.000 0.293 239 T C -0.307 174.386 174.700 -0.012 0.000 1.027 239 T CA -1.228 60.818 62.100 -0.090 0.000 0.988 239 T CB 1.459 70.266 68.868 -0.101 0.000 1.043 239 T HN 0.690 nan 8.240 nan 0.000 0.461 240 R N 1.624 122.124 120.500 0.001 0.000 2.546 240 R HA 0.465 4.805 4.340 0.000 0.000 0.266 240 R C -0.038 176.304 176.300 0.071 0.000 1.086 240 R CA -1.086 55.032 56.100 0.029 0.000 1.160 240 R CB 0.797 31.106 30.300 0.015 0.000 1.138 240 R HN 0.761 nan 8.270 nan 0.000 0.567 241 K N 0.466 120.910 120.400 0.074 0.000 2.436 241 K HA 0.073 4.393 4.320 0.000 0.000 0.282 241 K C 0.260 176.916 176.600 0.094 0.000 1.044 241 K CA 1.043 57.387 56.287 0.095 0.000 1.028 241 K CB -0.030 32.517 32.500 0.078 0.000 0.919 241 K HN 0.909 nan 8.250 nan 0.000 0.474 242 G N 2.800 111.674 108.800 0.123 0.000 2.132 242 G HA2 -0.260 3.700 3.960 0.000 0.000 0.234 242 G HA3 -0.260 3.700 3.960 0.000 0.000 0.234 242 G C -0.227 174.742 174.900 0.115 0.000 0.989 242 G CA 0.145 45.312 45.100 0.111 0.000 0.676 242 G HN 0.716 nan 8.290 nan 0.000 0.522 243 E N 0.604 120.888 120.200 0.141 0.000 2.194 243 E HA 0.365 4.715 4.350 0.000 0.000 0.284 243 E C 0.356 177.067 176.600 0.184 0.000 1.035 243 E CA -0.313 56.158 56.400 0.118 0.000 0.836 243 E CB 0.325 30.065 29.700 0.067 0.000 1.070 243 E HN 0.515 nan 8.360 nan 0.000 0.401 244 Q N 2.308 122.193 119.800 0.141 0.000 2.294 244 Q HA 0.296 4.636 4.340 0.000 0.000 0.257 244 Q C -0.906 175.207 176.000 0.188 0.000 0.955 244 Q CA -0.481 55.428 55.803 0.176 0.000 0.936 244 Q CB 1.863 30.669 28.738 0.114 0.000 1.188 244 Q HN 0.280 nan 8.270 nan 0.000 0.420 245 V N 3.927 124.035 119.914 0.323 0.000 2.384 245 V HA 0.239 4.359 4.120 0.000 0.000 0.287 245 V C -0.156 176.167 176.094 0.382 0.000 1.020 245 V CA -0.903 61.597 62.300 0.334 0.000 0.850 245 V CB 1.298 33.383 31.823 0.437 0.000 0.987 245 V HN 0.756 nan 8.190 nan 0.000 0.436 246 N N 3.326 122.181 118.700 0.259 0.000 2.479 246 N HA 0.632 5.372 4.740 0.000 0.000 0.285 246 N C -0.308 175.329 175.510 0.212 0.000 1.075 246 N CA -0.204 52.950 53.050 0.173 0.000 0.967 246 N CB 2.297 40.840 38.487 0.093 0.000 1.137 246 N HN 0.771 nan 8.380 nan 0.000 0.472 247 A N 2.863 125.751 122.820 0.115 0.000 2.409 247 A HA 0.355 4.675 4.320 0.000 0.000 0.300 247 A C -0.037 177.529 177.584 -0.029 0.000 1.273 247 A CA -0.720 51.292 52.037 -0.042 0.000 0.774 247 A CB 0.499 19.440 19.000 -0.099 0.000 1.144 247 A HN 0.578 nan 8.150 nan 0.000 0.472 248 R N 1.560 122.037 120.500 -0.038 0.000 2.401 248 R HA 0.540 4.880 4.340 0.000 0.000 0.299 248 R C -0.744 175.567 176.300 0.019 0.000 1.064 248 R CA 0.554 56.651 56.100 -0.005 0.000 1.000 248 R CB 0.467 30.778 30.300 0.018 0.000 0.973 248 R HN 0.671 nan 8.270 nan 0.000 0.438 249 I N 1.336 121.942 120.570 0.059 0.000 2.722 249 I HA 0.646 4.816 4.170 0.000 0.000 0.295 249 I C -0.721 175.533 176.117 0.228 0.000 1.161 249 I CA -0.910 60.490 61.300 0.167 0.000 1.032 249 I CB 2.341 40.474 38.000 0.223 0.000 1.244 249 I HN 0.669 nan 8.210 nan 0.000 0.421 250 A N 3.309 126.318 122.820 0.315 0.000 2.604 250 A HA 0.867 5.187 4.320 0.000 0.000 0.295 250 A C -0.899 176.885 177.584 0.334 0.000 1.067 250 A CA -0.393 51.826 52.037 0.304 0.000 0.683 250 A CB 2.075 21.191 19.000 0.193 0.000 1.281 250 A HN 0.789 nan 8.150 nan 0.000 0.407 251 S N 0.007 115.874 115.700 0.279 0.000 2.732 251 S HA 0.944 5.414 4.470 0.000 0.000 0.293 251 S C -0.481 174.126 174.600 0.012 0.000 1.159 251 S CA 0.076 58.386 58.200 0.182 0.000 0.847 251 S CB 1.606 64.960 63.200 0.258 0.000 1.169 251 S HN 2.409 nan 8.310 nan 0.000 0.501 252 S N -0.656 114.964 115.700 -0.134 0.000 2.543 252 S HA 0.596 5.066 4.470 0.000 0.000 0.274 252 S C -1.297 173.155 174.600 -0.247 0.000 1.149 252 S CA -0.705 57.404 58.200 -0.151 0.000 0.866 252 S CB 0.595 63.764 63.200 -0.052 0.000 1.111 252 S HN 0.637 nan 8.310 nan 0.000 0.457 253 F N 2.313 122.231 119.950 -0.053 0.000 2.727 253 F HA 0.449 4.976 4.527 0.000 0.000 0.302 253 F C 1.370 177.111 175.800 -0.099 0.000 1.097 253 F CA 0.021 57.936 58.000 -0.140 0.000 1.330 253 F CB 0.176 39.065 39.000 -0.186 0.000 1.084 253 F HN 0.457 nan 8.300 nan 0.000 0.578 254 I N -1.519 119.116 120.570 0.108 0.000 2.900 254 I HA 0.067 4.237 4.170 0.000 0.000 0.251 254 I C 0.672 176.605 176.117 -0.307 0.000 1.102 254 I CA 0.388 61.702 61.300 0.023 0.000 1.457 254 I CB 0.054 38.078 38.000 0.039 0.000 1.285 254 I HN -0.005 nan 8.210 nan 0.000 0.459 255 S N -1.501 113.853 115.700 -0.576 0.000 2.587 255 S HA 0.350 4.820 4.470 0.000 0.000 0.269 255 S C 0.036 174.130 174.600 -0.844 0.000 1.154 255 S CA -0.690 56.888 58.200 -1.036 0.000 0.824 255 S CB 0.768 63.696 63.200 -0.455 0.000 1.118 255 S HN 0.060 nan 8.310 nan 0.000 0.462 256 F N 1.127 120.671 119.950 -0.676 0.000 2.161 256 F HA 0.019 4.546 4.527 0.000 0.000 0.300 256 F C 2.605 178.309 175.800 -0.160 0.000 1.089 256 F CA 1.941 59.787 58.000 -0.257 0.000 1.282 256 F CB -0.302 38.609 39.000 -0.148 0.000 1.010 256 F HN 0.845 nan 8.300 nan 0.000 0.485 257 E N -0.318 119.878 120.200 -0.008 0.000 2.150 257 E HA -0.270 4.080 4.350 0.000 0.000 0.193 257 E C 2.111 178.705 176.600 -0.010 0.000 0.985 257 E CA 0.928 57.329 56.400 0.002 0.000 0.814 257 E CB -0.005 29.684 29.700 -0.017 0.000 0.752 257 E HN 0.314 nan 8.360 nan 0.000 0.466 258 Q N 0.145 119.911 119.800 -0.058 0.000 2.137 258 Q HA -0.003 4.337 4.340 0.000 0.000 0.198 258 Q C 1.823 177.824 176.000 0.002 0.000 0.960 258 Q CA 1.499 57.284 55.803 -0.029 0.000 0.847 258 Q CB -0.258 28.452 28.738 -0.045 0.000 0.915 258 Q HN 0.253 nan 8.270 nan 0.000 0.448 259 A N 0.558 123.374 122.820 -0.006 0.000 1.948 259 A HA -0.164 4.156 4.320 0.000 0.000 0.220 259 A C 2.279 179.912 177.584 0.082 0.000 1.177 259 A CA 1.997 54.065 52.037 0.052 0.000 0.636 259 A CB -1.197 17.850 19.000 0.078 0.000 0.815 259 A HN 0.529 nan 8.150 nan 0.000 0.449 260 A N -0.237 122.629 122.820 0.076 0.000 1.902 260 A HA 0.156 4.476 4.320 0.000 0.000 0.217 260 A C 2.529 180.149 177.584 0.060 0.000 1.181 260 A CA 2.138 54.220 52.037 0.074 0.000 0.623 260 A CB -1.058 17.980 19.000 0.063 0.000 0.818 260 A HN 1.102 nan 8.150 nan 0.000 0.443 261 A N 0.435 123.283 122.820 0.048 0.000 1.883 261 A HA -0.226 4.094 4.320 0.000 0.000 0.217 261 A C 1.891 179.509 177.584 0.056 0.000 1.186 261 A CA 1.936 54.001 52.037 0.046 0.000 0.624 261 A CB -0.736 18.287 19.000 0.038 0.000 0.822 261 A HN 0.538 nan 8.150 nan 0.000 0.444 262 N N -0.787 117.950 118.700 0.062 0.000 2.137 262 N HA -0.197 4.543 4.740 0.000 0.000 0.190 262 N C 1.532 177.091 175.510 0.082 0.000 1.017 262 N CA 1.828 54.922 53.050 0.073 0.000 0.859 262 N CB -0.513 38.022 38.487 0.080 0.000 1.002 262 N HN 0.534 nan 8.380 nan 0.000 0.428 263 M N 1.139 120.790 119.600 0.086 0.000 2.144 263 M HA -0.117 4.363 4.480 0.000 0.000 0.260 263 M C 0.935 177.274 176.300 0.066 0.000 1.067 263 M CA 1.490 56.840 55.300 0.084 0.000 1.095 263 M CB -0.479 32.172 32.600 0.084 0.000 1.365 263 M HN 0.093 nan 8.290 nan 0.000 0.406 264 N N -0.058 118.678 118.700 0.059 0.000 2.588 264 N HA -0.156 4.584 4.740 0.000 0.000 0.190 264 N C 1.185 176.726 175.510 0.051 0.000 1.094 264 N CA 0.971 54.051 53.050 0.050 0.000 0.921 264 N CB -0.124 38.391 38.487 0.046 0.000 0.959 264 N HN 0.556 nan 8.380 nan 0.000 0.448 265 E N 0.137 120.372 120.200 0.058 0.000 2.153 265 E HA -0.129 4.221 4.350 0.000 0.000 0.194 265 E C 1.390 178.020 176.600 0.050 0.000 0.988 265 E CA 0.721 57.157 56.400 0.059 0.000 0.811 265 E CB 0.048 29.791 29.700 0.071 0.000 0.746 265 E HN 0.466 nan 8.360 nan 0.000 0.466 266 L N -0.608 120.641 121.223 0.044 0.000 2.240 266 L HA 0.082 4.422 4.340 0.000 0.000 0.211 266 L C 1.661 178.548 176.870 0.028 0.000 1.106 266 L CA 0.380 55.239 54.840 0.031 0.000 0.793 266 L CB -0.937 41.137 42.059 0.024 0.000 0.927 266 L HN 0.232 nan 8.230 nan 0.000 0.446 267 G N 1.101 109.920 108.800 0.032 0.000 2.574 267 G HA2 -0.333 3.627 3.960 0.000 0.000 0.286 267 G HA3 -0.333 3.627 3.960 0.000 0.000 0.286 267 G C 0.453 175.369 174.900 0.025 0.000 1.212 267 G CA 0.389 45.506 45.100 0.028 0.000 0.979 267 G HN 0.237 nan 8.290 nan 0.000 0.557 268 K N 1.550 121.963 120.400 0.021 0.000 2.455 268 K HA 0.274 4.594 4.320 0.000 0.000 0.206 268 K C 0.041 176.651 176.600 0.016 0.000 1.027 268 K CA -0.239 56.060 56.287 0.020 0.000 1.113 268 K CB 0.280 32.791 32.500 0.019 0.000 0.850 268 K HN 0.486 nan 8.250 nan 0.000 0.503 269 D N 2.749 123.158 120.400 0.014 0.000 2.399 269 D HA -0.022 4.618 4.640 0.000 0.000 0.241 269 D C 0.556 176.860 176.300 0.007 0.000 1.133 269 D CA 0.296 54.301 54.000 0.009 0.000 0.890 269 D CB 0.732 41.538 40.800 0.009 0.000 1.201 269 D HN 0.211 nan 8.370 nan 0.000 0.432 270 N N 1.214 119.917 118.700 0.005 0.000 2.476 270 N HA 0.077 4.817 4.740 0.000 0.000 0.287 270 N C 1.174 176.685 175.510 0.003 0.000 1.262 270 N CA -0.517 52.536 53.050 0.005 0.000 0.980 270 N CB 0.604 39.095 38.487 0.006 0.000 1.163 270 N HN 0.154 nan 8.380 nan 0.000 0.592 271 I N -0.099 120.475 120.570 0.007 0.000 2.127 271 I HA -0.225 3.945 4.170 0.000 0.000 0.241 271 I C 1.758 177.888 176.117 0.022 0.000 1.075 271 I CA 1.715 63.030 61.300 0.024 0.000 1.334 271 I CB -1.145 36.886 38.000 0.052 0.000 1.040 271 I HN 0.581 nan 8.210 nan 0.000 0.405 272 E N 0.502 120.699 120.200 -0.006 0.000 2.171 272 E HA -0.236 4.114 4.350 0.000 0.000 0.197 272 E C 2.214 178.791 176.600 -0.039 0.000 0.997 272 E CA 1.179 57.553 56.400 -0.042 0.000 0.810 272 E CB -0.188 29.485 29.700 -0.046 0.000 0.738 272 E HN 0.560 nan 8.360 nan 0.000 0.467 273 Q N -0.393 119.396 119.800 -0.019 0.000 2.033 273 Q HA 0.005 4.345 4.340 0.000 0.000 0.196 273 Q C 2.299 178.293 176.000 -0.010 0.000 0.970 273 Q CA 0.824 56.616 55.803 -0.018 0.000 0.828 273 Q CB -0.106 28.626 28.738 -0.009 0.000 0.895 273 Q HN 0.273 nan 8.270 nan 0.000 0.440 274 L N 0.595 121.823 121.223 0.009 0.000 2.079 274 L HA -0.212 4.128 4.340 0.000 0.000 0.210 274 L C 2.521 179.423 176.870 0.054 0.000 1.081 274 L CA 0.887 55.745 54.840 0.030 0.000 0.752 274 L CB -0.658 41.419 42.059 0.031 0.000 0.896 274 L HN 0.233 nan 8.230 nan 0.000 0.433 275 A N -0.075 122.782 122.820 0.062 0.000 1.851 275 A HA -0.332 3.988 4.320 0.000 0.000 0.216 275 A C 2.221 179.734 177.584 -0.118 0.000 1.195 275 A CA 2.136 54.231 52.037 0.096 0.000 0.622 275 A CB -0.728 18.291 19.000 0.032 0.000 0.831 275 A HN 0.404 nan 8.150 nan 0.000 0.444 276 Q N -0.233 119.485 119.800 -0.137 0.000 2.181 276 Q HA -0.155 4.185 4.340 0.000 0.000 0.205 276 Q C 1.905 177.820 176.000 -0.142 0.000 0.980 276 Q CA 2.246 57.938 55.803 -0.184 0.000 0.862 276 Q CB -0.251 28.416 28.738 -0.118 0.000 0.905 276 Q HN 0.698 nan 8.270 nan 0.000 0.429 277 K N -1.520 118.839 120.400 -0.067 0.000 2.116 277 K HA 0.036 4.356 4.320 0.000 0.000 0.203 277 K C 1.929 178.530 176.600 0.001 0.000 1.052 277 K CA 0.833 57.105 56.287 -0.024 0.000 0.952 277 K CB -0.260 32.243 32.500 0.005 0.000 0.729 277 K HN 0.365 nan 8.250 nan 0.000 0.446 278 G N 1.740 110.564 108.800 0.040 0.000 2.421 278 G HA2 -0.296 3.664 3.960 0.000 0.000 0.216 278 G HA3 -0.296 3.664 3.960 0.000 0.000 0.216 278 G C 1.408 176.385 174.900 0.129 0.000 1.171 278 G CA 0.867 46.071 45.100 0.174 0.000 0.775 278 G HN 0.220 nan 8.290 nan 0.000 0.543 279 K N 0.241 120.451 120.400 -0.317 0.000 2.103 279 K HA -0.139 4.181 4.320 0.000 0.000 0.207 279 K C 1.960 178.494 176.600 -0.110 0.000 1.048 279 K CA 1.686 57.639 56.287 -0.557 0.000 0.930 279 K CB -0.139 31.720 32.500 -1.068 0.000 0.716 279 K HN 0.124 nan 8.250 nan 0.000 0.444 280 D N 0.340 120.691 120.400 -0.081 0.000 2.097 280 D HA -0.130 4.510 4.640 0.000 0.000 0.195 280 D C 1.829 178.158 176.300 0.048 0.000 0.989 280 D CA 1.513 55.511 54.000 -0.004 0.000 0.827 280 D CB -0.333 40.456 40.800 -0.018 0.000 0.966 280 D HN 0.373 nan 8.370 nan 0.000 0.456 281 A N 0.069 122.906 122.820 0.028 0.000 1.877 281 A HA -0.172 4.148 4.320 0.000 0.000 0.216 281 A C 2.219 179.773 177.584 -0.051 0.000 1.186 281 A CA 1.345 53.360 52.037 -0.035 0.000 0.620 281 A CB -1.275 17.654 19.000 -0.117 0.000 0.822 281 A HN 0.319 nan 8.150 nan 0.000 0.443 282 W N 0.026 121.375 121.300 0.082 0.000 2.358 282 W HA -0.111 4.549 4.660 -0.000 0.000 0.303 282 W C 2.258 178.855 176.519 0.130 0.000 1.208 282 W CA 1.375 58.783 57.345 0.105 0.000 1.274 282 W CB -0.401 29.150 29.460 0.152 0.000 1.138 282 W HN 0.422 nan 8.180 nan 0.000 0.515 283 N N -0.147 118.763 118.700 0.349 0.000 2.289 283 N HA -0.236 4.504 4.740 0.000 0.000 0.184 283 N C 1.664 177.338 175.510 0.272 0.000 1.016 283 N CA 1.060 54.321 53.050 0.352 0.000 0.872 283 N CB -0.169 38.497 38.487 0.298 0.000 0.973 283 N HN 0.128 nan 8.380 nan 0.000 0.433 284 Q N 1.131 121.040 119.800 0.181 0.000 2.079 284 Q HA -0.096 4.244 4.340 0.000 0.000 0.200 284 Q C 1.977 178.070 176.000 0.155 0.000 0.974 284 Q CA 1.412 57.297 55.803 0.137 0.000 0.840 284 Q CB -0.068 28.729 28.738 0.099 0.000 0.898 284 Q HN 0.338 nan 8.270 nan 0.000 0.430 285 V N -2.090 117.926 119.914 0.170 0.000 2.446 285 V HA -0.022 4.098 4.120 0.000 0.000 0.244 285 V C 2.179 178.436 176.094 0.271 0.000 1.039 285 V CA 1.217 63.671 62.300 0.258 0.000 1.045 285 V CB -0.756 31.116 31.823 0.081 0.000 0.681 285 V HN 0.325 nan 8.190 nan 0.000 0.459 286 L N 1.550 122.918 121.223 0.242 0.000 2.083 286 L HA 0.006 4.346 4.340 0.000 0.000 0.209 286 L C 2.693 179.483 176.870 -0.134 0.000 1.083 286 L CA 1.721 56.690 54.840 0.215 0.000 0.752 286 L CB -1.080 41.172 42.059 0.322 0.000 0.899 286 L HN 0.537 nan 8.230 nan 0.000 0.433 287 G N -0.815 107.784 108.800 -0.335 0.000 2.776 287 G HA2 -0.142 3.818 3.960 0.000 0.000 0.209 287 G HA3 -0.142 3.818 3.960 0.000 0.000 0.209 287 G C 1.516 176.168 174.900 -0.413 0.000 1.145 287 G CA 0.031 44.543 45.100 -0.979 0.000 0.791 287 G HN 0.117 nan 8.290 nan 0.000 0.530 288 K N 0.143 120.474 120.400 -0.114 0.000 2.283 288 K HA 0.106 4.426 4.320 0.000 0.000 0.202 288 K C 0.779 177.327 176.600 -0.086 0.000 1.048 288 K CA 0.361 56.632 56.287 -0.026 0.000 0.948 288 K CB 0.092 32.575 32.500 -0.030 0.000 0.742 288 K HN 0.368 nan 8.250 nan 0.000 0.458 289 I N 1.728 122.240 120.570 -0.097 0.000 2.389 289 I HA 0.177 4.347 4.170 0.000 0.000 0.288 289 I C -0.531 175.490 176.117 -0.161 0.000 0.999 289 I CA -0.492 60.743 61.300 -0.108 0.000 1.129 289 I CB 1.683 39.712 38.000 0.048 0.000 1.288 289 I HN -0.141 nan 8.210 nan 0.000 0.444 290 E N 6.357 126.455 120.200 -0.170 0.000 2.114 290 E HA 0.397 4.747 4.350 0.000 0.000 0.266 290 E C -0.762 175.745 176.600 -0.156 0.000 0.896 290 E CA -0.612 55.750 56.400 -0.063 0.000 0.750 290 E CB 2.400 32.164 29.700 0.106 0.000 1.121 290 E HN 0.480 nan 8.360 nan 0.000 0.413 291 V N 0.757 120.512 119.914 -0.266 0.000 2.547 291 V HA 0.649 4.769 4.120 0.000 0.000 0.299 291 V C -0.342 175.535 176.094 -0.362 0.000 1.040 291 V CA -0.576 61.361 62.300 -0.606 0.000 0.913 291 V CB 1.491 32.346 31.823 -1.614 0.000 0.992 291 V HN 0.723 nan 8.190 nan 0.000 0.449 292 E N 2.094 122.186 120.200 -0.180 0.000 2.449 292 E HA 0.680 5.030 4.350 0.000 0.000 0.278 292 E C 0.265 177.012 176.600 0.244 0.000 0.992 292 E CA -0.911 55.537 56.400 0.080 0.000 0.807 292 E CB 1.610 31.336 29.700 0.043 0.000 1.350 292 E HN 1.836 nan 8.360 nan 0.000 0.462 293 G N -0.402 108.573 108.800 0.293 0.000 2.225 293 G HA2 -0.027 3.933 3.960 0.000 0.000 0.264 293 G HA3 -0.027 3.933 3.960 0.000 0.000 0.264 293 G C 0.112 175.150 174.900 0.230 0.000 1.060 293 G CA 0.139 45.373 45.100 0.223 0.000 0.833 293 G HN 0.863 nan 8.290 nan 0.000 0.498 294 G N -0.529 108.393 108.800 0.203 0.000 3.086 294 G HA2 0.807 4.767 3.960 0.000 0.000 0.282 294 G HA3 0.807 4.767 3.960 0.000 0.000 0.282 294 G C -0.342 174.344 174.900 -0.357 0.000 1.343 294 G CA 0.017 45.068 45.100 -0.082 0.000 0.895 294 G HN 1.048 nan 8.290 nan 0.000 0.557 295 N N -1.548 116.904 118.700 -0.413 0.000 2.518 295 N HA 0.414 5.154 4.740 0.000 0.000 0.284 295 N C 0.817 176.069 175.510 -0.430 0.000 1.230 295 N CA -0.879 51.978 53.050 -0.322 0.000 0.941 295 N CB 1.532 39.931 38.487 -0.146 0.000 1.219 295 N HN 0.306 nan 8.380 nan 0.000 0.560 296 L N -0.008 121.130 121.223 -0.141 0.000 2.093 296 L HA -0.046 4.294 4.340 0.000 0.000 0.208 296 L C 0.985 177.889 176.870 0.055 0.000 1.085 296 L CA 1.822 56.687 54.840 0.042 0.000 0.755 296 L CB -0.935 41.217 42.059 0.155 0.000 0.904 296 L HN 0.593 nan 8.230 nan 0.000 0.435 297 D N -0.707 119.701 120.400 0.013 0.000 2.133 297 D HA -0.246 4.394 4.640 0.000 0.000 0.195 297 D C 2.175 178.506 176.300 0.052 0.000 0.997 297 D CA 1.432 55.451 54.000 0.031 0.000 0.840 297 D CB -0.066 40.735 40.800 0.002 0.000 0.947 297 D HN 0.519 nan 8.370 nan 0.000 0.452 298 Q N -0.925 118.872 119.800 -0.004 0.000 2.083 298 Q HA -0.137 4.203 4.340 0.000 0.000 0.198 298 Q C 2.129 178.312 176.000 0.304 0.000 0.969 298 Q CA 0.813 56.670 55.803 0.090 0.000 0.838 298 Q CB -0.123 28.562 28.738 -0.088 0.000 0.900 298 Q HN 0.374 nan 8.270 nan 0.000 0.436 299 Y N 0.715 121.134 120.300 0.198 0.000 2.165 299 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 299 Y C 2.247 178.270 175.900 0.205 0.000 1.155 299 Y CA 1.071 59.198 58.100 0.044 0.000 1.164 299 Y CB -0.346 37.797 38.460 -0.527 0.000 0.978 299 Y HN 0.037 nan 8.280 nan 0.000 0.513 300 R N -0.844 119.871 120.500 0.360 0.000 2.062 300 R HA -0.095 4.245 4.340 0.000 0.000 0.229 300 R C 2.213 178.667 176.300 0.256 0.000 1.128 300 R CA 1.827 58.144 56.100 0.362 0.000 0.960 300 R CB -0.784 29.677 30.300 0.269 0.000 0.855 300 R HN 0.224 nan 8.270 nan 0.000 0.432 301 T N 1.202 115.849 114.554 0.155 0.000 2.684 301 T HA -0.204 4.146 4.350 0.000 0.000 0.267 301 T C 1.425 176.135 174.700 0.016 0.000 1.036 301 T CA 1.549 63.626 62.100 -0.038 0.000 1.148 301 T CB -0.372 68.374 68.868 -0.205 0.000 0.863 301 T HN 0.176 nan 8.240 nan 0.000 0.436 302 F N 0.800 120.840 119.950 0.150 0.000 2.051 302 F HA -0.135 4.392 4.527 -0.000 0.000 0.296 302 F C 2.058 177.877 175.800 0.032 0.000 1.122 302 F CA 1.278 59.398 58.000 0.201 0.000 1.201 302 F CB -0.404 38.688 39.000 0.152 0.000 0.978 302 F HN 0.108 nan 8.300 nan 0.000 0.472 303 Y N 0.139 120.697 120.300 0.430 0.000 2.373 303 Y HA -0.119 4.431 4.550 0.000 0.000 0.293 303 Y C 2.675 178.686 175.900 0.184 0.000 1.129 303 Y CA 1.249 59.534 58.100 0.308 0.000 1.226 303 Y CB -0.926 37.798 38.460 0.441 0.000 1.000 303 Y HN 0.036 nan 8.280 nan 0.000 0.549 304 S N -1.290 114.572 115.700 0.270 0.000 2.368 304 S HA -0.194 4.276 4.470 0.000 0.000 0.224 304 S C 2.193 176.928 174.600 0.225 0.000 1.029 304 S CA 1.303 59.632 58.200 0.215 0.000 0.988 304 S CB -0.781 62.493 63.200 0.123 0.000 0.838 304 S HN 0.529 nan 8.310 nan 0.000 0.462 305 C N 1.043 120.403 119.300 0.101 0.000 2.440 305 C HA 0.081 4.541 4.460 0.000 0.000 0.278 305 C C 2.495 177.504 174.990 0.031 0.000 1.295 305 C CA 0.327 59.403 59.018 0.096 0.000 1.738 305 C CB -1.228 26.541 27.740 0.048 0.000 1.987 305 C HN 0.503 nan 8.230 nan 0.000 0.492 306 L N 0.530 121.712 121.223 -0.067 0.000 2.056 306 L HA -0.117 4.223 4.340 0.000 0.000 0.207 306 L C 2.316 179.246 176.870 0.100 0.000 1.078 306 L CA 2.037 56.849 54.840 -0.046 0.000 0.749 306 L CB -1.457 40.555 42.059 -0.077 0.000 0.901 306 L HN 0.560 nan 8.230 nan 0.000 0.433 307 Y N 0.118 120.438 120.300 0.033 0.000 2.165 307 Y HA -0.232 4.318 4.550 0.000 0.000 0.286 307 Y C 2.391 178.281 175.900 -0.017 0.000 1.155 307 Y CA 1.657 59.739 58.100 -0.029 0.000 1.164 307 Y CB -0.331 37.983 38.460 -0.243 0.000 0.978 307 Y HN 0.077 nan 8.280 nan 0.000 0.513 308 R N 0.270 120.633 120.500 -0.229 0.000 2.189 308 R HA -0.029 4.311 4.340 0.000 0.000 0.223 308 R C 1.710 177.949 176.300 -0.100 0.000 1.092 308 R CA 1.097 57.029 56.100 -0.281 0.000 0.989 308 R CB -0.760 29.529 30.300 -0.018 0.000 0.876 308 R HN 0.335 nan 8.270 nan 0.000 0.457 309 S N 0.380 116.055 115.700 -0.042 0.000 2.597 309 S HA 0.244 4.714 4.470 0.000 0.000 0.224 309 S C 0.883 175.467 174.600 -0.027 0.000 0.955 309 S CA -0.011 58.197 58.200 0.013 0.000 0.933 309 S CB 0.285 63.503 63.200 0.030 0.000 0.788 309 S HN 0.161 nan 8.310 nan 0.000 0.488 310 L N 0.772 121.886 121.223 -0.182 0.000 3.291 310 L HA 0.433 4.773 4.340 0.000 0.000 0.307 310 L C 0.387 176.688 176.870 -0.949 0.000 1.303 310 L CA 0.182 54.643 54.840 -0.632 0.000 0.949 310 L CB 0.275 41.945 42.059 -0.648 0.000 1.375 310 L HN 0.227 nan 8.230 nan 0.000 0.596 311 L N -1.325 119.681 121.223 -0.363 0.000 2.694 311 L HA 0.367 4.707 4.340 0.000 0.000 0.228 311 L C -0.277 176.616 176.870 0.038 0.000 1.048 311 L CA 0.314 55.037 54.840 -0.196 0.000 0.887 311 L CB 0.693 42.646 42.059 -0.177 0.000 1.265 311 L HN 0.036 nan 8.230 nan 0.000 0.492 312 F N 0.723 120.849 119.950 0.294 0.000 2.546 312 F HA 0.523 5.050 4.527 0.000 0.000 0.320 312 F C -2.243 173.739 175.800 0.303 0.000 1.076 312 F CA -2.697 55.519 58.000 0.359 0.000 0.928 312 F CB 0.891 40.043 39.000 0.254 0.000 1.189 312 F HN -0.271 nan 8.300 nan 0.000 0.465 313 P HA 0.230 nan 4.420 nan 0.000 0.276 313 P C -1.028 176.632 177.300 0.600 0.000 1.252 313 P CA -0.658 62.782 63.100 0.566 0.000 0.802 313 P CB 1.001 33.008 31.700 0.512 0.000 1.035 314 R N 0.855 121.615 120.500 0.434 0.000 2.500 314 R HA 0.346 4.686 4.340 0.000 0.000 0.275 314 R C -0.171 176.295 176.300 0.277 0.000 1.051 314 R CA -0.762 55.524 56.100 0.310 0.000 1.088 314 R CB 0.540 30.837 30.300 -0.005 0.000 1.063 314 R HN 0.279 nan 8.270 nan 0.000 0.511 315 K N 1.783 122.189 120.400 0.011 0.000 2.524 315 K HA -0.087 4.233 4.320 0.000 0.000 0.279 315 K C -0.468 176.010 176.600 -0.204 0.000 0.993 315 K CA 0.558 56.490 56.287 -0.591 0.000 1.030 315 K CB 0.264 32.451 32.500 -0.522 0.000 0.891 315 K HN 0.539 nan 8.250 nan 0.000 0.488 316 F N 3.619 123.360 119.950 -0.349 0.000 2.791 316 F HA 0.161 4.688 4.527 0.000 0.000 0.316 316 F C -0.958 174.873 175.800 0.052 0.000 1.134 316 F CA -0.689 57.241 58.000 -0.116 0.000 1.222 316 F CB 0.486 39.426 39.000 -0.100 0.000 1.034 316 F HN 0.494 nan 8.300 nan 0.000 0.516 317 Y N -1.030 119.258 120.300 -0.020 0.000 2.562 317 Y HA 0.828 5.378 4.550 0.000 0.000 0.343 317 Y C -0.939 174.996 175.900 0.059 0.000 1.025 317 Y CA -1.428 56.722 58.100 0.083 0.000 1.082 317 Y CB 0.953 39.500 38.460 0.145 0.000 1.264 317 Y HN 0.031 nan 8.280 nan 0.000 0.478 318 E N 1.678 122.010 120.200 0.220 0.000 2.343 318 E HA 0.436 4.786 4.350 0.000 0.000 0.270 318 E C -1.750 174.968 176.600 0.197 0.000 0.895 318 E CA -1.247 55.222 56.400 0.116 0.000 0.767 318 E CB 2.450 32.197 29.700 0.078 0.000 1.248 318 E HN 0.449 nan 8.360 nan 0.000 0.440 319 L N 3.062 124.373 121.223 0.146 0.000 2.319 319 L HA 0.142 4.482 4.340 0.000 0.000 0.280 319 L C 0.279 177.199 176.870 0.083 0.000 1.099 319 L CA 0.008 54.928 54.840 0.132 0.000 0.828 319 L CB -0.193 41.937 42.059 0.119 0.000 1.150 319 L HN 0.547 nan 8.230 nan 0.000 0.442 320 D N 2.322 122.760 120.400 0.064 0.000 2.414 320 D HA 0.185 4.825 4.640 0.000 0.000 0.259 320 D C 1.149 177.470 176.300 0.035 0.000 1.269 320 D CA 0.059 54.082 54.000 0.039 0.000 1.028 320 D CB 0.451 41.264 40.800 0.021 0.000 1.093 320 D HN 0.478 nan 8.370 nan 0.000 0.545 321 A N -0.234 122.600 122.820 0.025 0.000 2.084 321 A HA -0.219 4.101 4.320 0.000 0.000 0.221 321 A C 1.506 179.105 177.584 0.025 0.000 1.161 321 A CA 1.248 53.299 52.037 0.023 0.000 0.653 321 A CB -0.721 18.289 19.000 0.016 0.000 0.802 321 A HN 0.564 nan 8.150 nan 0.000 0.457 322 N N -1.066 117.648 118.700 0.024 0.000 2.235 322 N HA 0.185 4.925 4.740 0.000 0.000 0.209 322 N C 1.047 176.576 175.510 0.031 0.000 1.122 322 N CA 0.867 53.931 53.050 0.023 0.000 0.845 322 N CB 0.508 39.004 38.487 0.015 0.000 1.004 322 N HN 0.591 nan 8.380 nan 0.000 0.499 323 G N 0.790 109.615 108.800 0.043 0.000 2.155 323 G HA2 -0.241 3.719 3.960 0.000 0.000 0.257 323 G HA3 -0.241 3.719 3.960 0.000 0.000 0.257 323 G C -0.055 174.880 174.900 0.059 0.000 0.983 323 G CA 0.107 45.242 45.100 0.059 0.000 0.676 323 G HN 0.234 nan 8.290 nan 0.000 0.528 324 Q N 0.308 120.129 119.800 0.036 0.000 2.274 324 Q HA 0.466 4.806 4.340 0.000 0.000 0.260 324 Q C -2.436 173.561 176.000 -0.005 0.000 0.974 324 Q CA -2.118 53.684 55.803 -0.002 0.000 0.876 324 Q CB 2.267 30.992 28.738 -0.021 0.000 1.297 324 Q HN 0.282 nan 8.270 nan 0.000 0.446 325 P HA 0.226 nan 4.420 nan 0.000 0.276 325 P C -0.420 176.857 177.300 -0.039 0.000 1.235 325 P CA 0.061 63.120 63.100 -0.068 0.000 0.772 325 P CB 0.552 31.903 31.700 -0.581 0.000 0.871 326 I N 0.480 121.108 120.570 0.097 0.000 3.145 326 I HA 0.706 4.876 4.170 0.000 0.000 0.313 326 I C -0.716 175.521 176.117 0.201 0.000 1.122 326 I CA -1.113 60.219 61.300 0.054 0.000 0.987 326 I CB 2.723 40.726 38.000 0.005 0.000 1.236 326 I HN 0.437 nan 8.210 nan 0.000 0.453 327 H N 0.752 119.911 119.070 0.149 0.000 3.079 327 H HA 0.305 4.861 4.556 0.000 0.000 0.356 327 H C -2.257 173.207 175.328 0.227 0.000 1.221 327 H CA -0.739 55.432 56.048 0.204 0.000 1.185 327 H CB 1.220 31.146 29.762 0.272 0.000 1.882 327 H HN 0.808 nan 8.280 nan 0.000 0.543 328 Y N 2.392 122.861 120.300 0.282 0.000 2.411 328 Y HA 0.199 4.749 4.550 0.000 0.000 0.333 328 Y C 0.258 176.459 175.900 0.501 0.000 1.186 328 Y CA 0.286 58.562 58.100 0.293 0.000 1.381 328 Y CB 1.064 39.694 38.460 0.283 0.000 1.273 328 Y HN 0.655 nan 8.280 nan 0.000 0.546 329 S N 8.000 123.520 115.700 -0.300 0.000 2.410 329 S HA 0.329 4.799 4.470 0.000 0.000 0.304 329 S C -1.791 172.482 174.600 -0.545 0.000 1.095 329 S CA -1.623 56.486 58.200 -0.151 0.000 1.089 329 S CB 0.753 63.958 63.200 0.007 0.000 0.968 329 S HN 0.648 nan 8.310 nan 0.000 0.480 330 P HA -0.042 nan 4.420 nan 0.000 0.231 330 P C 0.126 177.010 177.300 -0.692 0.000 1.158 330 P CA 0.870 63.601 63.100 -0.615 0.000 0.763 330 P CB -0.111 30.987 31.700 -1.003 0.000 0.805 331 Y N 1.232 121.365 120.300 -0.277 0.000 2.353 331 Y HA 0.031 4.581 4.550 0.000 0.000 0.294 331 Y C 2.110 177.925 175.900 -0.141 0.000 1.135 331 Y CA 1.224 59.190 58.100 -0.223 0.000 1.176 331 Y CB -0.751 37.577 38.460 -0.221 0.000 1.124 331 Y HN 0.087 nan 8.280 nan 0.000 0.537 332 N N -1.377 117.320 118.700 -0.004 0.000 2.171 332 N HA 0.210 4.950 4.740 0.000 0.000 0.212 332 N C 1.243 176.715 175.510 -0.062 0.000 1.184 332 N CA 0.636 53.676 53.050 -0.017 0.000 0.888 332 N CB 0.722 39.212 38.487 0.005 0.000 1.038 332 N HN 0.260 nan 8.380 nan 0.000 0.517 333 G N -0.182 108.494 108.800 -0.208 0.000 2.143 333 G HA2 -0.309 3.651 3.960 0.000 0.000 0.249 333 G HA3 -0.309 3.651 3.960 0.000 0.000 0.249 333 G C -0.319 174.539 174.900 -0.070 0.000 0.981 333 G CA 0.459 45.442 45.100 -0.195 0.000 0.665 333 G HN 0.519 nan 8.290 nan 0.000 0.528 334 Q N -1.003 118.736 119.800 -0.102 0.000 2.169 334 Q HA 0.669 5.009 4.340 0.000 0.000 0.234 334 Q C -0.023 175.963 176.000 -0.022 0.000 0.980 334 Q CA -0.807 54.986 55.803 -0.018 0.000 0.941 334 Q CB 2.073 30.799 28.738 -0.021 0.000 1.199 334 Q HN 0.204 nan 8.270 nan 0.000 0.496 335 V N 2.200 122.122 119.914 0.014 0.000 2.370 335 V HA 0.462 4.582 4.120 0.000 0.000 0.283 335 V C -0.409 175.614 176.094 -0.118 0.000 1.023 335 V CA -0.437 61.853 62.300 -0.017 0.000 0.857 335 V CB 0.637 32.484 31.823 0.039 0.000 0.985 335 V HN 0.504 nan 8.190 nan 0.000 0.443 336 L N 5.823 126.865 121.223 -0.303 0.000 2.359 336 L HA 0.652 4.992 4.340 0.000 0.000 0.256 336 L C -2.655 173.994 176.870 -0.368 0.000 1.026 336 L CA -2.076 52.591 54.840 -0.288 0.000 0.828 336 L CB 2.837 44.764 42.059 -0.220 0.000 1.406 336 L HN 0.382 nan 8.230 nan 0.000 0.413 337 P HA 0.423 nan 4.420 nan 0.000 0.274 337 P C -0.146 177.126 177.300 -0.046 0.000 1.246 337 P CA 0.137 63.169 63.100 -0.114 0.000 0.795 337 P CB 0.885 32.546 31.700 -0.066 0.000 1.006 338 G N -0.688 108.072 108.800 -0.066 0.000 2.655 338 G HA2 -0.123 3.837 3.960 0.000 0.000 0.680 338 G HA3 -0.123 3.837 3.960 0.000 0.000 0.680 338 G C -1.331 173.574 174.900 0.008 0.000 1.302 338 G CA -0.952 44.095 45.100 -0.088 0.000 0.872 338 G HN 0.287 nan 8.290 nan 0.000 0.540 339 Y N -0.869 119.458 120.300 0.045 0.000 2.314 339 Y HA 0.691 5.241 4.550 0.000 0.000 0.334 339 Y C 0.968 176.925 175.900 0.096 0.000 1.266 339 Y CA 0.387 58.458 58.100 -0.049 0.000 1.391 339 Y CB 1.489 39.946 38.460 -0.004 0.000 1.306 339 Y HN 0.839 nan 8.280 nan 0.000 0.558 340 M N 2.687 122.495 119.600 0.346 0.000 2.325 340 M HA 0.535 5.015 4.480 0.000 0.000 0.285 340 M C -2.432 174.082 176.300 0.357 0.000 1.119 340 M CA -0.750 54.675 55.300 0.209 0.000 0.959 340 M CB 1.060 33.502 32.600 -0.265 0.000 1.737 340 M HN 0.392 nan 8.290 nan 0.000 0.486 341 F N 0.940 121.043 119.950 0.255 0.000 2.620 341 F HA 0.941 5.468 4.527 0.000 0.000 0.320 341 F C 0.304 176.197 175.800 0.155 0.000 1.069 341 F CA -0.343 57.819 58.000 0.271 0.000 0.953 341 F CB 2.433 41.596 39.000 0.272 0.000 1.322 341 F HN 0.691 nan 8.300 nan 0.000 0.479 342 T N -1.277 113.478 114.554 0.335 0.000 2.658 342 T HA 0.327 4.677 4.350 0.000 0.000 0.306 342 T C -2.314 172.558 174.700 0.287 0.000 1.544 342 T CA -0.578 61.625 62.100 0.171 0.000 0.991 342 T CB 0.742 69.494 68.868 -0.194 0.000 1.774 342 T HN 0.638 nan 8.240 nan 0.000 0.479 343 D N 0.958 121.530 120.400 0.287 0.000 2.990 343 D HA -0.076 4.564 4.640 0.000 0.000 0.245 343 D C -0.511 176.089 176.300 0.500 0.000 1.120 343 D CA 1.547 55.849 54.000 0.504 0.000 0.838 343 D CB -1.448 39.722 40.800 0.617 0.000 1.000 343 D HN 0.699 nan 8.370 nan 0.000 0.420 344 T N -1.119 113.532 114.554 0.163 0.000 2.886 344 T HA 0.584 4.934 4.350 0.000 0.000 0.330 344 T C -0.750 173.279 174.700 -1.118 0.000 1.488 344 T CA -0.029 61.906 62.100 -0.274 0.000 1.054 344 T CB 1.729 70.650 68.868 0.088 0.000 1.348 344 T HN 0.284 nan 8.240 nan 0.000 0.489 345 G N 2.149 109.973 108.800 -1.626 0.000 2.437 345 G HA2 0.550 4.510 3.960 0.000 0.000 0.315 345 G HA3 0.550 4.510 3.960 0.000 0.000 0.315 345 G C 0.478 175.095 174.900 -0.471 0.000 1.210 345 G CA -0.569 43.473 45.100 -1.765 0.000 0.943 345 G HN 0.572 nan 8.290 nan 0.000 0.471 346 F N 1.056 120.912 119.950 -0.156 0.000 2.202 346 F HA 0.008 4.535 4.527 0.000 0.000 0.301 346 F C 2.091 178.051 175.800 0.267 0.000 1.082 346 F CA 0.191 58.228 58.000 0.063 0.000 1.313 346 F CB -0.478 38.528 39.000 0.010 0.000 1.024 346 F HN 0.748 nan 8.300 nan 0.000 0.495 347 W N 1.821 123.268 121.300 0.244 0.000 2.308 347 W HA -0.263 4.397 4.660 0.000 0.000 0.301 347 W C 1.964 178.626 176.519 0.239 0.000 1.220 347 W CA 2.251 59.784 57.345 0.314 0.000 1.240 347 W CB -0.222 29.387 29.460 0.247 0.000 1.142 347 W HN -0.039 nan 8.180 nan 0.000 0.521 348 D N -1.535 119.043 120.400 0.296 0.000 2.149 348 D HA -0.111 4.529 4.640 0.000 0.000 0.206 348 D C 2.069 178.330 176.300 -0.066 0.000 0.967 348 D CA 2.355 56.386 54.000 0.052 0.000 0.848 348 D CB -0.770 40.129 40.800 0.166 0.000 0.998 348 D HN 0.280 nan 8.370 nan 0.000 0.474 349 T N -0.924 113.706 114.554 0.128 0.000 3.086 349 T HA 0.023 4.373 4.350 0.000 0.000 0.250 349 T C 1.871 176.786 174.700 0.357 0.000 1.074 349 T CA -0.344 61.910 62.100 0.255 0.000 0.988 349 T CB -0.656 68.473 68.868 0.435 0.000 0.988 349 T HN 0.192 nan 8.240 nan 0.000 0.530 350 F N 2.389 122.442 119.950 0.172 0.000 2.216 350 F HA 0.160 4.687 4.527 -0.000 0.000 0.300 350 F C 2.206 178.011 175.800 0.009 0.000 1.085 350 F CA 0.215 58.227 58.000 0.019 0.000 1.326 350 F CB -0.459 38.477 39.000 -0.106 0.000 1.027 350 F HN -0.053 nan 8.300 nan 0.000 0.497 351 R N 0.378 120.284 120.500 -0.990 0.000 2.080 351 R HA -0.143 4.197 4.340 0.000 0.000 0.236 351 R C 1.958 178.102 176.300 -0.260 0.000 1.137 351 R CA 2.257 57.901 56.100 -0.759 0.000 0.943 351 R CB -0.832 29.095 30.300 -0.622 0.000 0.846 351 R HN 0.679 nan 8.270 nan 0.000 0.431 352 C N -2.912 116.355 119.300 -0.056 0.000 4.150 352 C HA 0.357 4.817 4.460 0.000 0.000 0.330 352 C C 1.732 176.912 174.990 0.317 0.000 1.905 352 C CA -0.914 58.144 59.018 0.068 0.000 1.724 352 C CB -0.599 27.121 27.740 -0.033 0.000 3.096 352 C HN 0.361 nan 8.230 nan 0.000 0.601 353 L N 1.040 122.402 121.223 0.232 0.000 2.023 353 L HA 0.178 4.518 4.340 0.000 0.000 0.205 353 L C 2.208 179.166 176.870 0.146 0.000 1.073 353 L CA 2.232 57.180 54.840 0.180 0.000 0.745 353 L CB -1.116 41.010 42.059 0.112 0.000 0.900 353 L HN 0.363 nan 8.230 nan 0.000 0.435 354 F N 0.660 120.708 119.950 0.163 0.000 2.171 354 F HA -0.092 4.435 4.527 0.000 0.000 0.300 354 F C -0.295 175.607 175.800 0.170 0.000 1.090 354 F CA 1.371 59.453 58.000 0.137 0.000 1.293 354 F CB -1.753 37.283 39.000 0.061 0.000 1.013 354 F HN 0.214 nan 8.300 nan 0.000 0.486 355 P HA -0.164 nan 4.420 nan 0.000 0.218 355 P C 1.852 179.470 177.300 0.530 0.000 1.149 355 P CA 0.982 64.312 63.100 0.383 0.000 0.817 355 P CB 0.011 31.873 31.700 0.270 0.000 0.785 356 L N -0.882 120.630 121.223 0.481 0.000 2.083 356 L HA -0.150 4.190 4.340 0.000 0.000 0.209 356 L C 2.015 179.060 176.870 0.291 0.000 1.083 356 L CA 1.804 56.766 54.840 0.202 0.000 0.752 356 L CB -1.265 40.773 42.059 -0.035 0.000 0.899 356 L HN -0.092 nan 8.230 nan 0.000 0.433 357 L N -0.906 120.500 121.223 0.305 0.000 2.056 357 L HA -0.201 4.139 4.340 0.000 0.000 0.207 357 L C 2.153 179.202 176.870 0.299 0.000 1.078 357 L CA 1.730 56.769 54.840 0.332 0.000 0.749 357 L CB -0.752 41.403 42.059 0.159 0.000 0.901 357 L HN 0.380 nan 8.230 nan 0.000 0.433 358 N N -0.136 118.736 118.700 0.287 0.000 2.289 358 N HA -0.204 4.536 4.740 0.000 0.000 0.184 358 N C 1.688 177.439 175.510 0.402 0.000 1.016 358 N CA 0.735 53.951 53.050 0.277 0.000 0.872 358 N CB 0.031 38.638 38.487 0.199 0.000 0.973 358 N HN 0.160 nan 8.380 nan 0.000 0.433 359 L N -0.251 121.226 121.223 0.422 0.000 2.168 359 L HA 0.142 4.482 4.340 0.000 0.000 0.203 359 L C 1.475 178.580 176.870 0.391 0.000 1.078 359 L CA 1.475 56.566 54.840 0.420 0.000 0.780 359 L CB 0.084 42.367 42.059 0.374 0.000 0.939 359 L HN 0.110 nan 8.230 nan 0.000 0.451 360 M N -2.102 117.590 119.600 0.153 0.000 2.338 360 M HA 0.214 4.694 4.480 0.000 0.000 0.276 360 M C -0.201 175.730 176.300 -0.615 0.000 1.057 360 M CA 0.476 55.629 55.300 -0.245 0.000 1.079 360 M CB 0.184 32.445 32.600 -0.566 0.000 1.547 360 M HN 0.142 nan 8.290 nan 0.000 0.549 361 Y N -0.659 119.763 120.300 0.204 0.000 2.555 361 Y HA 0.327 4.877 4.550 0.000 0.000 0.317 361 Y C -1.855 174.085 175.900 0.066 0.000 0.928 361 Y CA -1.822 56.357 58.100 0.133 0.000 1.116 361 Y CB -0.318 38.235 38.460 0.156 0.000 1.169 361 Y HN 0.054 nan 8.280 nan 0.000 0.627 362 P HA -0.191 nan 4.420 nan 0.000 0.217 362 P C 1.823 179.146 177.300 0.039 0.000 1.150 362 P CA 2.153 65.332 63.100 0.131 0.000 0.832 362 P CB 0.195 32.002 31.700 0.178 0.000 0.787 363 S N -1.093 114.629 115.700 0.036 0.000 2.420 363 S HA -0.140 4.330 4.470 0.000 0.000 0.237 363 S C 1.874 176.417 174.600 -0.096 0.000 1.023 363 S CA 1.659 59.851 58.200 -0.013 0.000 0.991 363 S CB -1.757 61.455 63.200 0.020 0.000 0.792 363 S HN 0.008 nan 8.310 nan 0.000 0.488 364 V N 2.216 122.044 119.914 -0.142 0.000 2.500 364 V HA 0.016 4.136 4.120 0.000 0.000 0.243 364 V C 2.626 178.484 176.094 -0.393 0.000 1.039 364 V CA 1.521 63.606 62.300 -0.358 0.000 1.053 364 V CB -1.157 30.257 31.823 -0.683 0.000 0.695 364 V HN 0.485 nan 8.190 nan 0.000 0.463 365 N N 0.828 119.390 118.700 -0.230 0.000 2.289 365 N HA -0.198 4.542 4.740 0.000 0.000 0.184 365 N C 1.659 177.059 175.510 -0.182 0.000 1.016 365 N CA 1.344 54.292 53.050 -0.170 0.000 0.872 365 N CB -0.206 38.288 38.487 0.011 0.000 0.973 365 N HN 0.429 nan 8.380 nan 0.000 0.433 366 K N 1.187 121.487 120.400 -0.167 0.000 2.001 366 K HA -0.131 4.189 4.320 0.000 0.000 0.214 366 K C 1.674 178.125 176.600 -0.247 0.000 1.050 366 K CA 1.740 57.931 56.287 -0.159 0.000 0.934 366 K CB -0.336 32.088 32.500 -0.127 0.000 0.718 366 K HN 0.288 nan 8.250 nan 0.000 0.443 367 E N -0.142 119.822 120.200 -0.393 0.000 2.058 367 E HA -0.234 4.116 4.350 0.000 0.000 0.194 367 E C 2.133 178.509 176.600 -0.373 0.000 0.997 367 E CA 1.970 58.009 56.400 -0.602 0.000 0.801 367 E CB -0.224 29.120 29.700 -0.594 0.000 0.746 367 E HN 0.397 nan 8.360 nan 0.000 0.450 368 M N 0.518 119.734 119.600 -0.642 0.000 2.159 368 M HA -0.197 4.283 4.480 0.000 0.000 0.263 368 M C 2.298 178.525 176.300 -0.122 0.000 1.063 368 M CA 1.231 56.166 55.300 -0.608 0.000 1.110 368 M CB -0.115 32.123 32.600 -0.603 0.000 1.374 368 M HN -0.006 nan 8.290 nan 0.000 0.411 369 Q N 0.474 120.204 119.800 -0.116 0.000 2.050 369 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 369 Q C 1.985 178.002 176.000 0.029 0.000 0.980 369 Q CA 1.299 57.069 55.803 -0.055 0.000 0.840 369 Q CB -0.593 28.097 28.738 -0.080 0.000 0.898 369 Q HN 0.520 nan 8.270 nan 0.000 0.424 370 E N 0.231 120.451 120.200 0.033 0.000 2.097 370 E HA -0.151 4.199 4.350 0.000 0.000 0.196 370 E C 2.047 178.778 176.600 0.217 0.000 1.000 370 E CA 1.279 57.765 56.400 0.144 0.000 0.804 370 E CB -0.490 29.343 29.700 0.221 0.000 0.740 370 E HN 0.505 nan 8.360 nan 0.000 0.454 371 G N 1.421 110.368 108.800 0.244 0.000 2.469 371 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 371 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 371 G C 1.743 176.796 174.900 0.256 0.000 1.150 371 G CA 0.774 46.069 45.100 0.324 0.000 0.763 371 G HN 0.194 nan 8.290 nan 0.000 0.561 372 L N 0.327 121.689 121.223 0.233 0.000 2.141 372 L HA -0.017 4.323 4.340 0.000 0.000 0.209 372 L C 2.778 179.891 176.870 0.405 0.000 1.094 372 L CA 0.140 55.160 54.840 0.301 0.000 0.763 372 L CB -0.338 41.834 42.059 0.190 0.000 0.908 372 L HN 0.116 nan 8.230 nan 0.000 0.437 373 I N 0.485 121.250 120.570 0.325 0.000 2.163 373 I HA -0.299 3.871 4.170 0.000 0.000 0.243 373 I C 2.060 178.300 176.117 0.204 0.000 1.085 373 I CA 1.772 63.254 61.300 0.303 0.000 1.347 373 I CB -1.342 36.784 38.000 0.210 0.000 1.044 373 I HN 0.384 nan 8.210 nan 0.000 0.408 374 N N 0.000 118.806 118.700 0.176 0.000 2.149 374 N HA -0.169 4.571 4.740 0.000 0.000 0.188 374 N C 1.669 177.199 175.510 0.034 0.000 1.019 374 N CA 1.870 54.998 53.050 0.129 0.000 0.857 374 N CB -0.170 38.426 38.487 0.182 0.000 0.997 374 N HN 0.336 nan 8.380 nan 0.000 0.426 375 T N -0.046 114.514 114.554 0.010 0.000 2.720 375 T HA -0.201 4.149 4.350 0.000 0.000 0.268 375 T C 1.569 176.102 174.700 -0.279 0.000 1.037 375 T CA 1.095 63.028 62.100 -0.277 0.000 1.144 375 T CB -0.435 68.330 68.868 -0.173 0.000 0.864 375 T HN 0.335 nan 8.240 nan 0.000 0.444 376 Y N 1.644 121.794 120.300 -0.250 0.000 2.133 376 Y HA -0.025 4.525 4.550 0.000 0.000 0.287 376 Y C 2.048 177.770 175.900 -0.296 0.000 1.134 376 Y CA 1.047 58.886 58.100 -0.436 0.000 1.133 376 Y CB -0.592 37.314 38.460 -0.922 0.000 0.987 376 Y HN 0.100 nan 8.280 nan 0.000 0.502 377 L N 0.044 121.132 121.223 -0.226 0.000 2.079 377 L HA -0.239 4.101 4.340 0.000 0.000 0.210 377 L C 2.126 178.858 176.870 -0.231 0.000 1.081 377 L CA 1.991 56.694 54.840 -0.228 0.000 0.752 377 L CB -0.440 41.596 42.059 -0.038 0.000 0.896 377 L HN 0.337 nan 8.230 nan 0.000 0.433 378 E N -1.190 118.909 120.200 -0.169 0.000 2.385 378 E HA -0.076 4.274 4.350 0.000 0.000 0.194 378 E C 1.968 178.505 176.600 -0.105 0.000 1.013 378 E CA 1.009 57.353 56.400 -0.094 0.000 0.866 378 E CB 0.276 29.983 29.700 0.013 0.000 0.832 378 E HN 0.490 nan 8.360 nan 0.000 0.500 379 S N -1.940 113.645 115.700 -0.193 0.000 2.575 379 S HA 0.313 4.783 4.470 0.000 0.000 0.230 379 S C 1.623 176.227 174.600 0.006 0.000 1.062 379 S CA 0.348 58.526 58.200 -0.036 0.000 0.913 379 S CB 1.122 64.284 63.200 -0.062 0.000 0.837 379 S HN 0.275 nan 8.310 nan 0.000 0.487 380 G N 0.423 109.041 108.800 -0.304 0.000 2.213 380 G HA2 -0.133 3.827 3.960 0.000 0.000 0.226 380 G HA3 -0.133 3.827 3.960 0.000 0.000 0.226 380 G C -0.159 174.426 174.900 -0.525 0.000 0.992 380 G CA 0.054 44.846 45.100 -0.513 0.000 0.632 380 G HN 0.499 nan 8.290 nan 0.000 0.511 381 F N -0.437 119.445 119.950 -0.113 0.000 2.599 381 F HA 0.781 5.308 4.527 0.000 0.000 0.311 381 F C 0.068 175.949 175.800 0.135 0.000 1.076 381 F CA -1.480 56.608 58.000 0.147 0.000 0.937 381 F CB 1.106 40.183 39.000 0.129 0.000 1.282 381 F HN -0.060 nan 8.300 nan 0.000 0.460 382 F N 2.906 123.150 119.950 0.490 0.000 2.410 382 F HA 0.378 4.905 4.527 0.000 0.000 0.334 382 F C -1.887 174.103 175.800 0.316 0.000 1.134 382 F CA -2.038 56.150 58.000 0.313 0.000 1.227 382 F CB -0.056 39.042 39.000 0.163 0.000 1.194 382 F HN 0.095 nan 8.300 nan 0.000 0.571 383 P HA 0.183 nan 4.420 nan 0.000 0.281 383 P C -0.340 177.151 177.300 0.318 0.000 1.249 383 P CA -0.212 63.144 63.100 0.426 0.000 0.810 383 P CB 1.596 33.539 31.700 0.404 0.000 1.008 384 E N 0.703 120.996 120.200 0.155 0.000 2.101 384 E HA 0.079 4.429 4.350 0.000 0.000 0.194 384 E C -0.173 176.353 176.600 -0.124 0.000 0.950 384 E CA 0.833 57.308 56.400 0.124 0.000 0.917 384 E CB -0.331 29.483 29.700 0.189 0.000 0.963 384 E HN 0.504 nan 8.360 nan 0.000 0.476 385 W N 0.528 121.810 121.300 -0.029 0.000 2.429 385 W HA 0.544 5.204 4.660 0.000 0.000 0.314 385 W C -0.782 175.727 176.519 -0.016 0.000 1.062 385 W CA -0.340 56.980 57.345 -0.042 0.000 1.211 385 W CB 1.417 30.881 29.460 0.007 0.000 1.305 385 W HN 0.029 nan 8.180 nan 0.000 0.476 386 A N 3.260 126.345 122.820 0.442 0.000 2.359 386 A HA 0.689 5.009 4.320 0.000 0.000 0.303 386 A C -0.876 176.859 177.584 0.251 0.000 1.066 386 A CA -0.529 51.665 52.037 0.262 0.000 0.730 386 A CB 1.842 20.940 19.000 0.163 0.000 1.211 386 A HN 0.354 nan 8.150 nan 0.000 0.439 387 S N 3.788 119.494 115.700 0.010 0.000 2.465 387 S HA 0.410 4.880 4.470 0.000 0.000 0.186 387 S C -2.569 171.788 174.600 -0.405 0.000 0.839 387 S CA -0.385 57.775 58.200 -0.067 0.000 1.037 387 S CB 1.077 64.370 63.200 0.155 0.000 1.407 387 S HN 0.463 nan 8.310 nan 0.000 0.396 388 P HA 0.231 nan 4.420 nan 0.000 0.230 388 P C 0.976 177.767 177.300 -0.848 0.000 1.168 388 P CA 0.524 63.043 63.100 -0.969 0.000 0.793 388 P CB 0.087 30.922 31.700 -1.441 0.000 0.851 389 G N -0.632 107.688 108.800 -0.801 0.000 2.702 389 G HA2 0.225 4.185 3.960 0.000 0.000 0.254 389 G HA3 0.225 4.185 3.960 0.000 0.000 0.254 389 G C -0.726 173.971 174.900 -0.337 0.000 1.380 389 G CA -0.379 44.164 45.100 -0.929 0.000 1.042 389 G HN 0.055 nan 8.290 nan 0.000 0.557 390 H N 1.106 120.117 119.070 -0.098 0.000 3.091 390 H HA 0.230 4.786 4.556 0.000 0.000 0.289 390 H C 0.386 175.639 175.328 -0.125 0.000 0.995 390 H CA 0.440 56.464 56.048 -0.041 0.000 1.461 390 H CB 0.269 29.942 29.762 -0.148 0.000 1.510 390 H HN 0.107 nan 8.280 nan 0.000 0.546 391 R N 1.625 122.169 120.500 0.074 0.000 2.740 391 R HA 0.363 4.703 4.340 0.000 0.000 0.282 391 R C 0.392 176.689 176.300 -0.004 0.000 0.969 391 R CA -0.985 55.105 56.100 -0.016 0.000 0.918 391 R CB 2.072 32.333 30.300 -0.065 0.000 1.175 391 R HN 0.753 nan 8.270 nan 0.000 0.464 392 G N 0.707 109.476 108.800 -0.052 0.000 2.448 392 G HA2 0.364 4.324 3.960 0.000 0.000 0.309 392 G HA3 0.364 4.324 3.960 0.000 0.000 0.309 392 G C -0.572 174.297 174.900 -0.052 0.000 1.027 392 G CA -0.115 44.963 45.100 -0.036 0.000 1.104 392 G HN 0.484 nan 8.290 nan 0.000 0.428 393 C N 5.654 124.955 119.300 0.002 0.000 2.871 393 C HA 0.657 5.117 4.460 0.000 0.000 0.378 393 C C -0.089 174.963 174.990 0.104 0.000 1.052 393 C CA -0.600 58.392 59.018 -0.044 0.000 1.250 393 C CB 0.209 27.729 27.740 -0.366 0.000 1.689 393 C HN 1.008 nan 8.230 nan 0.000 0.506 394 M N 3.306 122.873 119.600 -0.055 0.000 7.319 394 M HA -0.138 4.342 4.480 0.000 0.000 0.129 394 M C 0.001 176.246 176.300 -0.092 0.000 0.480 394 M CA 1.722 56.880 55.300 -0.237 0.000 1.311 394 M CB -2.174 30.221 32.600 -0.342 0.000 0.421 394 M HN 1.772 nan 8.290 nan 0.000 0.500 395 V N -3.237 116.623 119.914 -0.089 0.000 3.112 395 V HA 1.035 5.155 4.120 0.000 0.000 0.310 395 V C 0.231 176.540 176.094 0.357 0.000 1.364 395 V CA 0.777 63.150 62.300 0.121 0.000 1.058 395 V CB 1.177 33.036 31.823 0.060 0.000 1.079 395 V HN 2.741 nan 8.190 nan 0.000 0.463 396 G N 0.659 109.644 108.800 0.309 0.000 2.756 396 G HA2 -0.150 3.810 3.960 0.000 0.000 0.678 396 G HA3 -0.150 3.810 3.960 0.000 0.000 0.678 396 G C -0.337 174.794 174.900 0.385 0.000 1.349 396 G CA 0.188 45.516 45.100 0.380 0.000 0.847 396 G HN 1.855 nan 8.290 nan 0.000 0.548 397 N N -0.292 118.583 118.700 0.292 0.000 2.553 397 N HA 0.140 4.880 4.740 0.000 0.000 0.298 397 N C 0.992 176.482 175.510 -0.034 0.000 1.596 397 N CA 0.140 53.258 53.050 0.114 0.000 0.910 397 N CB -0.055 38.413 38.487 -0.032 0.000 1.336 397 N HN 0.485 nan 8.380 nan 0.000 0.497 398 N N -0.476 118.211 118.700 -0.023 0.000 2.515 398 N HA -0.110 4.630 4.740 0.000 0.000 0.185 398 N C 1.842 177.154 175.510 -0.331 0.000 1.109 398 N CA 0.589 53.470 53.050 -0.280 0.000 0.903 398 N CB 0.282 38.536 38.487 -0.388 0.000 0.969 398 N HN 0.298 nan 8.380 nan 0.000 0.450 399 S N 0.694 116.277 115.700 -0.195 0.000 2.392 399 S HA -0.272 4.198 4.470 0.000 0.000 0.232 399 S C 2.156 176.407 174.600 -0.581 0.000 1.041 399 S CA 1.063 58.969 58.200 -0.491 0.000 1.026 399 S CB -0.608 62.531 63.200 -0.101 0.000 0.845 399 S HN 0.394 nan 8.310 nan 0.000 0.465 400 A N 1.746 124.299 122.820 -0.445 0.000 1.883 400 A HA -0.103 4.217 4.320 0.000 0.000 0.217 400 A C 2.506 179.767 177.584 -0.538 0.000 1.186 400 A CA 2.252 53.996 52.037 -0.487 0.000 0.624 400 A CB -1.468 17.267 19.000 -0.441 0.000 0.822 400 A HN 0.655 nan 8.150 nan 0.000 0.444 401 S N -0.586 114.772 115.700 -0.571 0.000 2.368 401 S HA -0.116 4.354 4.470 0.000 0.000 0.224 401 S C 1.953 176.303 174.600 -0.417 0.000 1.029 401 S CA 1.340 59.234 58.200 -0.510 0.000 0.988 401 S CB -0.462 62.422 63.200 -0.527 0.000 0.838 401 S HN 0.385 nan 8.310 nan 0.000 0.462 402 I N 1.790 122.023 120.570 -0.562 0.000 2.127 402 I HA -0.167 4.004 4.170 0.000 0.000 0.241 402 I C 2.427 178.195 176.117 -0.580 0.000 1.075 402 I CA 1.324 62.200 61.300 -0.706 0.000 1.334 402 I CB -1.488 35.713 38.000 -1.333 0.000 1.040 402 I HN 0.368 nan 8.210 nan 0.000 0.405 403 L N 0.053 120.902 121.223 -0.624 0.000 2.012 403 L HA -0.202 4.138 4.340 0.000 0.000 0.210 403 L C 2.615 179.284 176.870 -0.336 0.000 1.073 403 L CA 1.034 55.571 54.840 -0.505 0.000 0.748 403 L CB -0.759 40.913 42.059 -0.645 0.000 0.891 403 L HN 0.045 nan 8.230 nan 0.000 0.431 404 V N -0.563 119.137 119.914 -0.358 0.000 2.488 404 V HA -0.228 3.892 4.120 0.000 0.000 0.246 404 V C 2.063 178.034 176.094 -0.204 0.000 1.046 404 V CA 1.777 63.901 62.300 -0.293 0.000 1.053 404 V CB -0.340 31.252 31.823 -0.386 0.000 0.679 404 V HN 0.419 nan 8.190 nan 0.000 0.458 405 D N 0.370 120.650 120.400 -0.201 0.000 2.144 405 D HA -0.104 4.536 4.640 0.000 0.000 0.200 405 D C 2.125 178.350 176.300 -0.125 0.000 0.978 405 D CA 1.359 55.276 54.000 -0.139 0.000 0.833 405 D CB -0.030 40.717 40.800 -0.089 0.000 0.961 405 D HN 0.356 nan 8.370 nan 0.000 0.470 406 A N -0.467 122.280 122.820 -0.121 0.000 1.858 406 A HA -0.191 4.129 4.320 0.000 0.000 0.216 406 A C 2.224 179.756 177.584 -0.086 0.000 1.190 406 A CA 1.535 53.517 52.037 -0.090 0.000 0.617 406 A CB -1.433 17.507 19.000 -0.100 0.000 0.827 406 A HN 0.446 nan 8.150 nan 0.000 0.443 407 Y N 0.166 120.358 120.300 -0.180 0.000 2.081 407 Y HA -0.276 4.274 4.550 -0.000 0.000 0.280 407 Y C 2.447 178.249 175.900 -0.163 0.000 1.163 407 Y CA 2.395 60.398 58.100 -0.163 0.000 1.135 407 Y CB -0.209 38.141 38.460 -0.184 0.000 0.970 407 Y HN 0.228 nan 8.280 nan 0.000 0.498 408 M N -0.254 119.368 119.600 0.037 0.000 2.358 408 M HA -0.180 4.300 4.480 0.000 0.000 0.264 408 M C 1.368 177.560 176.300 -0.180 0.000 1.064 408 M CA 1.635 56.896 55.300 -0.065 0.000 1.093 408 M CB -0.818 31.708 32.600 -0.123 0.000 1.401 408 M HN 0.176 nan 8.290 nan 0.000 0.440 409 K N -0.439 119.822 120.400 -0.232 0.000 2.437 409 K HA 0.306 4.626 4.320 0.000 0.000 0.205 409 K C 0.788 177.287 176.600 -0.168 0.000 1.026 409 K CA 0.312 56.387 56.287 -0.352 0.000 1.153 409 K CB 0.192 32.372 32.500 -0.534 0.000 0.863 409 K HN 0.463 nan 8.250 nan 0.000 0.502 410 G N 0.311 109.008 108.800 -0.171 0.000 2.141 410 G HA2 -0.208 3.752 3.960 0.000 0.000 0.231 410 G HA3 -0.208 3.752 3.960 0.000 0.000 0.231 410 G C -0.094 174.734 174.900 -0.121 0.000 0.984 410 G CA -0.141 44.881 45.100 -0.130 0.000 0.660 410 G HN 0.131 nan 8.290 nan 0.000 0.525 411 V N 2.265 122.095 119.914 -0.140 0.000 2.259 411 V HA 0.383 4.503 4.120 0.000 0.000 0.267 411 V C 0.260 176.254 176.094 -0.167 0.000 1.051 411 V CA -0.488 61.748 62.300 -0.106 0.000 0.830 411 V CB 0.908 32.703 31.823 -0.047 0.000 1.080 411 V HN 0.305 nan 8.190 nan 0.000 0.467 412 K N 3.684 123.963 120.400 -0.202 0.000 2.235 412 K HA 0.587 4.907 4.320 0.000 0.000 0.266 412 K C -0.130 176.421 176.600 -0.081 0.000 0.980 412 K CA -0.695 55.444 56.287 -0.247 0.000 0.849 412 K CB 2.540 34.766 32.500 -0.456 0.000 1.098 412 K HN 0.468 nan 8.250 nan 0.000 0.445 413 V N -0.417 119.498 119.914 0.002 0.000 3.139 413 V HA -0.030 4.090 4.120 0.000 0.000 0.307 413 V C 0.670 176.794 176.094 0.049 0.000 1.095 413 V CA 0.045 62.367 62.300 0.037 0.000 1.160 413 V CB 0.553 32.416 31.823 0.066 0.000 1.003 413 V HN 0.644 nan 8.190 nan 0.000 0.489 414 D N 0.784 121.217 120.400 0.054 0.000 2.084 414 D HA -0.068 4.572 4.640 0.000 0.000 0.196 414 D C 0.997 177.333 176.300 0.060 0.000 0.985 414 D CA 1.914 55.945 54.000 0.051 0.000 0.826 414 D CB -0.247 40.585 40.800 0.054 0.000 0.978 414 D HN 0.892 nan 8.370 nan 0.000 0.456 415 D N 0.452 120.893 120.400 0.069 0.000 2.551 415 D HA 0.059 4.699 4.640 0.000 0.000 0.223 415 D C 1.326 177.663 176.300 0.063 0.000 1.144 415 D CA -0.107 53.930 54.000 0.062 0.000 1.025 415 D CB -0.372 40.468 40.800 0.067 0.000 1.085 415 D HN 0.159 nan 8.370 nan 0.000 0.506 416 I N 1.308 121.916 120.570 0.063 0.000 2.361 416 I HA -0.225 3.945 4.170 0.000 0.000 0.251 416 I C 2.367 178.492 176.117 0.013 0.000 1.133 416 I CA 0.562 61.889 61.300 0.045 0.000 1.413 416 I CB -0.182 37.844 38.000 0.044 0.000 1.073 416 I HN 0.247 nan 8.210 nan 0.000 0.424 417 K N 1.413 121.821 120.400 0.013 0.000 2.020 417 K HA -0.204 4.116 4.320 0.000 0.000 0.212 417 K C 2.068 178.678 176.600 0.017 0.000 1.050 417 K CA 2.329 58.624 56.287 0.013 0.000 0.929 417 K CB -0.166 32.339 32.500 0.009 0.000 0.714 417 K HN 0.228 nan 8.250 nan 0.000 0.443 418 T N 2.121 116.682 114.554 0.011 0.000 2.777 418 T HA -0.131 4.219 4.350 0.000 0.000 0.266 418 T C 1.637 176.285 174.700 -0.087 0.000 1.040 418 T CA 1.059 63.142 62.100 -0.029 0.000 1.141 418 T CB -0.264 68.627 68.868 0.039 0.000 0.868 418 T HN 0.174 nan 8.240 nan 0.000 0.444 419 L N 0.769 122.002 121.223 0.017 0.000 1.956 419 L HA -0.146 4.194 4.340 0.000 0.000 0.216 419 L C 2.094 178.941 176.870 -0.039 0.000 1.073 419 L CA 1.925 56.789 54.840 0.042 0.000 0.762 419 L CB -1.404 40.653 42.059 -0.004 0.000 0.889 419 L HN 0.292 nan 8.230 nan 0.000 0.433 420 Y N 0.646 120.839 120.300 -0.179 0.000 2.145 420 Y HA -0.240 4.310 4.550 0.000 0.000 0.286 420 Y C 2.583 178.368 175.900 -0.191 0.000 1.145 420 Y CA 2.292 60.264 58.100 -0.213 0.000 1.148 420 Y CB -0.218 38.116 38.460 -0.210 0.000 0.981 420 Y HN 0.442 nan 8.280 nan 0.000 0.507 421 E N -0.805 119.328 120.200 -0.111 0.000 2.153 421 E HA -0.172 4.178 4.350 0.000 0.000 0.194 421 E C 2.392 178.772 176.600 -0.367 0.000 0.988 421 E CA 0.857 57.141 56.400 -0.193 0.000 0.811 421 E CB -0.510 29.134 29.700 -0.092 0.000 0.746 421 E HN 0.649 nan 8.360 nan 0.000 0.466 422 G N 1.241 109.682 108.800 -0.599 0.000 2.446 422 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 422 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 422 G C 1.558 176.282 174.900 -0.292 0.000 1.168 422 G CA 0.584 45.088 45.100 -0.994 0.000 0.771 422 G HN 0.097 nan 8.290 nan 0.000 0.551 423 L N 0.402 121.512 121.223 -0.189 0.000 2.046 423 L HA -0.057 4.283 4.340 0.000 0.000 0.208 423 L C 2.776 179.450 176.870 -0.326 0.000 1.077 423 L CA 0.449 55.136 54.840 -0.255 0.000 0.747 423 L CB -0.333 41.458 42.059 -0.446 0.000 0.896 423 L HN 0.117 nan 8.230 nan 0.000 0.432 424 I N -0.810 119.511 120.570 -0.415 0.000 2.315 424 I HA -0.313 3.857 4.170 0.000 0.000 0.248 424 I C 2.520 178.535 176.117 -0.168 0.000 1.117 424 I CA 1.536 62.660 61.300 -0.292 0.000 1.404 424 I CB -1.595 36.237 38.000 -0.280 0.000 1.071 424 I HN 0.430 nan 8.210 nan 0.000 0.419 425 H N 1.371 120.289 119.070 -0.254 0.000 2.353 425 H HA -0.161 4.395 4.556 0.000 0.000 0.298 425 H C 2.154 177.331 175.328 -0.252 0.000 1.103 425 H CA 1.874 57.776 56.048 -0.244 0.000 1.293 425 H CB 0.055 29.681 29.762 -0.226 0.000 1.372 425 H HN 0.333 nan 8.280 nan 0.000 0.501 426 G N -0.419 108.259 108.800 -0.203 0.000 2.471 426 G HA2 -0.241 3.719 3.960 0.000 0.000 0.219 426 G HA3 -0.241 3.719 3.960 0.000 0.000 0.219 426 G C 1.811 176.576 174.900 -0.225 0.000 1.125 426 G CA 1.196 46.203 45.100 -0.155 0.000 0.775 426 G HN 0.604 nan 8.290 nan 0.000 0.548 427 T N -0.921 113.495 114.554 -0.229 0.000 3.085 427 T HA 0.058 4.408 4.350 0.000 0.000 0.263 427 T C 1.357 175.883 174.700 -0.290 0.000 1.127 427 T CA 1.310 63.298 62.100 -0.187 0.000 1.103 427 T CB -0.088 68.784 68.868 0.007 0.000 0.921 427 T HN 0.599 nan 8.240 nan 0.000 0.510 428 E N 0.163 120.054 120.200 -0.516 0.000 3.029 428 E HA 0.310 4.660 4.350 0.000 0.000 0.196 428 E C -0.667 175.098 176.600 -1.391 0.000 0.973 428 E CA -0.813 55.020 56.400 -0.946 0.000 1.242 428 E CB 0.289 29.724 29.700 -0.442 0.000 1.056 428 E HN 0.237 nan 8.360 nan 0.000 0.469 429 N N 0.772 118.866 118.700 -1.010 0.000 2.277 429 N HA 0.338 5.078 4.740 0.000 0.000 0.286 429 N C -1.821 173.665 175.510 -0.040 0.000 1.140 429 N CA -0.566 52.145 53.050 -0.565 0.000 0.799 429 N CB 2.945 41.074 38.487 -0.597 0.000 1.596 429 N HN 0.001 nan 8.380 nan 0.000 0.473 430 V N 0.913 120.964 119.914 0.228 0.000 2.715 430 V HA 0.278 4.398 4.120 0.000 0.000 0.310 430 V C -0.414 175.776 176.094 0.160 0.000 1.054 430 V CA -0.568 61.871 62.300 0.230 0.000 0.928 430 V CB 1.557 33.525 31.823 0.243 0.000 1.007 430 V HN 0.793 nan 8.190 nan 0.000 0.437 431 H N 7.584 126.443 119.070 -0.352 0.000 2.928 431 H HA 0.217 4.773 4.556 0.000 0.000 0.338 431 H C -1.663 173.594 175.328 -0.118 0.000 1.047 431 H CA -0.541 55.217 56.048 -0.483 0.000 1.435 431 H CB 1.563 30.843 29.762 -0.804 0.000 1.428 431 H HN 0.489 nan 8.280 nan 0.000 0.590 432 P HA -0.103 nan 4.420 nan 0.000 0.229 432 P C 0.116 177.494 177.300 0.129 0.000 1.160 432 P CA 1.025 64.151 63.100 0.043 0.000 0.777 432 P CB 0.439 32.129 31.700 -0.017 0.000 0.814 433 E N -1.490 118.892 120.200 0.304 0.000 2.676 433 E HA 0.155 4.505 4.350 0.000 0.000 0.225 433 E C -0.397 176.251 176.600 0.080 0.000 0.944 433 E CA 0.040 56.547 56.400 0.178 0.000 1.156 433 E CB 0.589 30.376 29.700 0.145 0.000 1.117 433 E HN -0.023 nan 8.360 nan 0.000 0.523 434 V N 3.097 123.021 119.914 0.017 0.000 2.327 434 V HA 0.069 4.189 4.120 0.000 0.000 0.272 434 V C 1.294 177.331 176.094 -0.094 0.000 1.019 434 V CA 0.048 62.257 62.300 -0.152 0.000 0.814 434 V CB 1.090 32.681 31.823 -0.386 0.000 1.040 434 V HN 0.270 nan 8.190 nan 0.000 0.440 435 S N 2.122 117.809 115.700 -0.022 0.000 2.469 435 S HA -0.138 4.332 4.470 0.000 0.000 0.238 435 S C 1.678 176.290 174.600 0.020 0.000 0.998 435 S CA 1.339 59.548 58.200 0.015 0.000 0.957 435 S CB -0.185 63.035 63.200 0.032 0.000 0.764 435 S HN 0.918 nan 8.310 nan 0.000 0.514 436 S N -0.195 115.504 115.700 -0.002 0.000 2.556 436 S HA 0.218 4.688 4.470 0.000 0.000 0.216 436 S C 0.282 174.892 174.600 0.017 0.000 0.970 436 S CA -0.488 57.739 58.200 0.045 0.000 0.912 436 S CB -0.237 63.008 63.200 0.075 0.000 0.790 436 S HN 0.360 nan 8.310 nan 0.000 0.504 437 T N 2.584 117.066 114.554 -0.119 0.000 2.771 437 T HA 0.669 5.019 4.350 0.000 0.000 0.281 437 T C 0.635 175.199 174.700 -0.226 0.000 0.982 437 T CA 0.270 62.220 62.100 -0.249 0.000 0.978 437 T CB 0.865 69.337 68.868 -0.659 0.000 0.930 437 T HN 0.824 nan 8.240 nan 0.000 0.447 438 G N 3.151 111.969 108.800 0.030 0.000 2.632 438 G HA2 -0.187 3.773 3.960 0.000 0.000 0.224 438 G HA3 -0.187 3.773 3.960 0.000 0.000 0.224 438 G C -0.786 174.175 174.900 0.101 0.000 1.341 438 G CA -0.868 44.349 45.100 0.193 0.000 0.880 438 G HN 0.775 nan 8.290 nan 0.000 0.566 439 R N -0.343 120.204 120.500 0.079 0.000 2.310 439 R HA 0.420 4.760 4.340 0.000 0.000 0.316 439 R C -0.093 176.371 176.300 0.272 0.000 1.004 439 R CA -0.823 55.314 56.100 0.062 0.000 0.900 439 R CB 1.159 31.290 30.300 -0.282 0.000 1.152 439 R HN 0.523 nan 8.270 nan 0.000 0.513 440 L N 2.071 123.474 121.223 0.299 0.000 2.455 440 L HA 0.201 4.541 4.340 0.000 0.000 0.272 440 L C 1.148 178.210 176.870 0.321 0.000 1.174 440 L CA 1.583 56.579 54.840 0.260 0.000 0.869 440 L CB 0.785 42.952 42.059 0.179 0.000 1.130 440 L HN 0.919 nan 8.230 nan 0.000 0.474 441 G N 3.318 112.264 108.800 0.242 0.000 2.157 441 G HA2 -0.393 3.567 3.960 0.000 0.000 0.239 441 G HA3 -0.393 3.567 3.960 0.000 0.000 0.239 441 G C 0.596 175.666 174.900 0.284 0.000 0.982 441 G CA 0.706 45.977 45.100 0.286 0.000 0.650 441 G HN 1.046 nan 8.290 nan 0.000 0.527 442 Y N 0.972 121.380 120.300 0.180 0.000 2.165 442 Y HA 0.047 4.597 4.550 -0.000 0.000 0.286 442 Y C 2.253 178.223 175.900 0.118 0.000 1.155 442 Y CA 2.023 60.200 58.100 0.129 0.000 1.164 442 Y CB -0.574 37.891 38.460 0.008 0.000 0.978 442 Y HN 0.348 nan 8.280 nan 0.000 0.513 443 E N 0.477 120.309 120.200 -0.613 0.000 2.038 443 E HA -0.214 4.136 4.350 0.000 0.000 0.195 443 E C 1.846 178.306 176.600 -0.232 0.000 1.000 443 E CA 2.113 58.238 56.400 -0.459 0.000 0.803 443 E CB -1.047 28.247 29.700 -0.677 0.000 0.750 443 E HN 0.654 nan 8.360 nan 0.000 0.448 444 Y N -0.528 119.706 120.300 -0.110 0.000 2.097 444 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 444 Y C 2.428 178.289 175.900 -0.064 0.000 1.152 444 Y CA 1.614 59.652 58.100 -0.103 0.000 1.136 444 Y CB -0.867 37.534 38.460 -0.098 0.000 0.975 444 Y HN 0.163 nan 8.280 nan 0.000 0.498 445 Y N 0.849 121.219 120.300 0.116 0.000 2.200 445 Y HA -0.212 4.338 4.550 0.000 0.000 0.290 445 Y C 1.915 177.862 175.900 0.080 0.000 1.137 445 Y CA 1.775 59.944 58.100 0.115 0.000 1.163 445 Y CB -0.732 37.890 38.460 0.271 0.000 0.988 445 Y HN 0.167 nan 8.280 nan 0.000 0.518 446 N N 0.038 118.821 118.700 0.139 0.000 2.120 446 N HA -0.216 4.524 4.740 0.000 0.000 0.188 446 N C 1.851 177.307 175.510 -0.090 0.000 1.024 446 N CA 1.416 54.468 53.050 0.003 0.000 0.852 446 N CB -0.198 38.355 38.487 0.110 0.000 1.003 446 N HN 0.326 nan 8.380 nan 0.000 0.424 447 K N 1.124 121.479 120.400 -0.076 0.000 2.044 447 K HA 0.003 4.324 4.320 0.000 0.000 0.204 447 K C 1.676 178.200 176.600 -0.127 0.000 1.049 447 K CA 0.816 57.046 56.287 -0.095 0.000 0.945 447 K CB 0.146 32.590 32.500 -0.094 0.000 0.724 447 K HN 0.098 nan 8.250 nan 0.000 0.440 448 L N -1.033 120.076 121.223 -0.190 0.000 2.463 448 L HA 0.260 4.600 4.340 0.000 0.000 0.219 448 L C 1.120 177.850 176.870 -0.232 0.000 1.088 448 L CA 0.450 55.122 54.840 -0.279 0.000 0.849 448 L CB 0.520 42.223 42.059 -0.593 0.000 1.012 448 L HN 0.593 nan 8.230 nan 0.000 0.468 449 G N -0.088 108.555 108.800 -0.262 0.000 2.141 449 G HA2 -0.295 3.665 3.960 0.000 0.000 0.231 449 G HA3 -0.295 3.665 3.960 0.000 0.000 0.231 449 G C -0.052 174.872 174.900 0.040 0.000 0.984 449 G CA 0.204 45.182 45.100 -0.203 0.000 0.660 449 G HN 0.453 nan 8.290 nan 0.000 0.525 450 Y N -3.683 116.639 120.300 0.037 0.000 2.741 450 Y HA 0.610 5.160 4.550 -0.000 0.000 0.339 450 Y C -0.731 175.320 175.900 0.252 0.000 1.226 450 Y CA -1.611 56.623 58.100 0.224 0.000 1.072 450 Y CB 0.790 39.295 38.460 0.076 0.000 1.331 450 Y HN 0.420 nan 8.280 nan 0.000 0.453 451 V N 3.413 123.559 119.914 0.387 0.000 2.333 451 V HA 0.413 4.533 4.120 0.000 0.000 0.274 451 V C -2.244 173.946 176.094 0.160 0.000 1.028 451 V CA -1.911 60.496 62.300 0.178 0.000 0.851 451 V CB 0.742 32.633 31.823 0.115 0.000 1.000 451 V HN 0.577 nan 8.190 nan 0.000 0.456 452 P HA 0.012 nan 4.420 nan 0.000 0.270 452 P C 0.108 177.395 177.300 -0.022 0.000 1.223 452 P CA 0.060 63.211 63.100 0.086 0.000 0.785 452 P CB 0.586 32.186 31.700 -0.167 0.000 0.923 453 Y N 1.380 121.615 120.300 -0.108 0.000 2.519 453 Y HA -0.008 4.542 4.550 0.000 0.000 0.287 453 Y C 0.580 176.407 175.900 -0.120 0.000 1.128 453 Y CA 0.846 58.864 58.100 -0.138 0.000 1.282 453 Y CB 0.237 38.613 38.460 -0.140 0.000 1.027 453 Y HN 0.255 nan 8.280 nan 0.000 0.551 454 D N 0.115 120.462 120.400 -0.089 0.000 2.957 454 D HA 0.099 4.740 4.640 0.000 0.000 0.352 454 D C -0.120 176.095 176.300 -0.141 0.000 1.352 454 D CA 0.131 54.065 54.000 -0.110 0.000 0.831 454 D CB -0.245 40.570 40.800 0.026 0.000 1.147 454 D HN 0.198 nan 8.370 nan 0.000 0.467 455 V N -3.011 116.775 119.914 -0.213 0.000 2.925 455 V HA 0.344 4.464 4.120 0.000 0.000 0.361 455 V C 0.533 176.547 176.094 -0.134 0.000 1.361 455 V CA -0.936 61.240 62.300 -0.207 0.000 1.184 455 V CB -0.389 31.137 31.823 -0.494 0.000 1.245 455 V HN 0.166 nan 8.190 nan 0.000 0.575 456 K N 0.810 121.133 120.400 -0.129 0.000 3.069 456 K HA -0.175 4.145 4.320 0.000 0.000 0.267 456 K C -0.129 176.422 176.600 -0.081 0.000 1.082 456 K CA 1.133 57.365 56.287 -0.092 0.000 0.782 456 K CB -1.399 31.075 32.500 -0.043 0.000 1.230 456 K HN 0.680 nan 8.250 nan 0.000 0.488 457 I N 1.833 122.330 120.570 -0.123 0.000 2.502 457 I HA 0.131 4.301 4.170 0.000 0.000 0.276 457 I C 0.244 176.282 176.117 -0.131 0.000 1.057 457 I CA -0.873 60.373 61.300 -0.090 0.000 1.163 457 I CB 0.908 38.873 38.000 -0.060 0.000 1.288 457 I HN 0.030 nan 8.210 nan 0.000 0.479 458 N N 4.253 122.891 118.700 -0.103 0.000 2.340 458 N HA 0.008 4.748 4.740 0.000 0.000 0.236 458 N C 0.466 175.884 175.510 -0.152 0.000 1.296 458 N CA 0.403 53.378 53.050 -0.125 0.000 0.896 458 N CB 0.285 38.773 38.487 0.002 0.000 1.127 458 N HN 0.475 nan 8.380 nan 0.000 0.442 459 E N -0.994 119.064 120.200 -0.236 0.000 2.586 459 E HA -0.253 4.097 4.350 0.000 0.000 0.259 459 E C 0.438 176.883 176.600 -0.259 0.000 1.107 459 E CA 0.509 56.761 56.400 -0.247 0.000 0.754 459 E CB -1.216 28.402 29.700 -0.137 0.000 1.335 459 E HN 0.630 nan 8.360 nan 0.000 0.411 460 N N -0.512 118.028 118.700 -0.267 0.000 2.331 460 N HA -0.129 4.611 4.740 0.000 0.000 0.180 460 N C 1.775 177.165 175.510 -0.200 0.000 1.019 460 N CA 1.184 54.114 53.050 -0.200 0.000 0.881 460 N CB -0.044 38.353 38.487 -0.149 0.000 0.972 460 N HN 0.267 nan 8.380 nan 0.000 0.435 461 A N 1.357 123.980 122.820 -0.328 0.000 1.930 461 A HA 0.300 4.620 4.320 0.000 0.000 0.215 461 A C 2.501 179.966 177.584 -0.199 0.000 1.176 461 A CA 1.257 53.126 52.037 -0.281 0.000 0.632 461 A CB -0.660 17.991 19.000 -0.582 0.000 0.819 461 A HN 0.396 nan 8.150 nan 0.000 0.445 462 A N 0.042 122.649 122.820 -0.355 0.000 1.930 462 A HA -0.127 4.193 4.320 0.000 0.000 0.217 462 A C 2.224 179.715 177.584 -0.155 0.000 1.175 462 A CA 1.423 53.212 52.037 -0.412 0.000 0.627 462 A CB -0.420 18.177 19.000 -0.670 0.000 0.815 462 A HN 0.539 nan 8.150 nan 0.000 0.443 463 R N -0.826 119.512 120.500 -0.270 0.000 2.073 463 R HA -0.090 4.250 4.340 0.000 0.000 0.234 463 R C 2.319 178.200 176.300 -0.699 0.000 1.134 463 R CA 1.898 57.648 56.100 -0.584 0.000 0.952 463 R CB -0.906 29.003 30.300 -0.652 0.000 0.850 463 R HN 0.513 nan 8.270 nan 0.000 0.433 464 T N 1.859 116.238 114.554 -0.292 0.000 2.665 464 T HA -0.144 4.206 4.350 0.000 0.000 0.268 464 T C 1.915 176.736 174.700 0.202 0.000 1.035 464 T CA 1.338 63.465 62.100 0.045 0.000 1.151 464 T CB -0.248 68.761 68.868 0.235 0.000 0.862 464 T HN 0.128 nan 8.240 nan 0.000 0.438 465 L N 0.505 121.853 121.223 0.208 0.000 2.046 465 L HA -0.083 4.257 4.340 0.000 0.000 0.208 465 L C 2.777 179.872 176.870 0.373 0.000 1.077 465 L CA 1.425 56.475 54.840 0.350 0.000 0.747 465 L CB -0.576 41.721 42.059 0.396 0.000 0.896 465 L HN 0.321 nan 8.230 nan 0.000 0.432 466 E N -0.794 119.583 120.200 0.295 0.000 2.072 466 E HA -0.190 4.160 4.350 0.000 0.000 0.190 466 E C 2.246 179.018 176.600 0.287 0.000 0.982 466 E CA 0.907 57.489 56.400 0.303 0.000 0.803 466 E CB -0.106 29.765 29.700 0.284 0.000 0.755 466 E HN 0.372 nan 8.360 nan 0.000 0.453 467 Y N 0.873 121.205 120.300 0.053 0.000 2.139 467 Y HA -0.248 4.302 4.550 -0.000 0.000 0.282 467 Y C 2.457 178.412 175.900 0.092 0.000 1.179 467 Y CA 0.917 58.967 58.100 -0.084 0.000 1.161 467 Y CB -1.220 36.934 38.460 -0.511 0.000 0.970 467 Y HN 0.052 nan 8.280 nan 0.000 0.511 468 A N -0.811 122.277 122.820 0.448 0.000 1.933 468 A HA -0.246 4.074 4.320 0.000 0.000 0.218 468 A C 2.159 179.885 177.584 0.237 0.000 1.175 468 A CA 1.574 53.900 52.037 0.481 0.000 0.628 468 A CB -1.349 18.021 19.000 0.617 0.000 0.814 468 A HN 0.525 nan 8.150 nan 0.000 0.444 469 Y N 1.352 121.658 120.300 0.009 0.000 2.293 469 Y HA -0.155 4.395 4.550 -0.000 0.000 0.291 469 Y C 1.625 177.441 175.900 -0.140 0.000 1.137 469 Y CA 1.560 59.471 58.100 -0.315 0.000 1.202 469 Y CB -0.262 38.126 38.460 -0.119 0.000 0.990 469 Y HN 0.348 nan 8.280 nan 0.000 0.537 470 D N 0.225 120.485 120.400 -0.235 0.000 2.117 470 D HA -0.180 4.460 4.640 0.000 0.000 0.198 470 D C 1.692 177.821 176.300 -0.284 0.000 0.982 470 D CA 1.603 55.371 54.000 -0.386 0.000 0.828 470 D CB -0.353 40.318 40.800 -0.215 0.000 0.967 470 D HN 0.436 nan 8.370 nan 0.000 0.464 471 D N -0.260 120.103 120.400 -0.061 0.000 2.178 471 D HA -0.145 4.495 4.640 0.000 0.000 0.201 471 D C 1.878 178.176 176.300 -0.004 0.000 0.980 471 D CA 0.466 54.497 54.000 0.050 0.000 0.842 471 D CB -0.314 40.693 40.800 0.345 0.000 0.948 471 D HN 0.365 nan 8.370 nan 0.000 0.472 472 W N 1.156 122.300 121.300 -0.259 0.000 2.388 472 W HA -0.204 4.456 4.660 -0.000 0.000 0.294 472 W C 2.193 178.558 176.519 -0.257 0.000 1.212 472 W CA 0.788 57.945 57.345 -0.313 0.000 1.271 472 W CB -0.368 28.789 29.460 -0.505 0.000 1.126 472 W HN -0.069 nan 8.180 nan 0.000 0.535 473 C N 0.534 119.611 119.300 -0.373 0.000 2.436 473 C HA -0.207 4.253 4.460 0.000 0.000 0.277 473 C C 2.703 177.311 174.990 -0.637 0.000 1.241 473 C CA 1.378 60.022 59.018 -0.623 0.000 1.721 473 C CB -1.439 25.954 27.740 -0.578 0.000 2.043 473 C HN 0.362 nan 8.230 nan 0.000 0.472 474 I N 0.139 120.373 120.570 -0.561 0.000 2.264 474 I HA -0.256 3.914 4.170 0.000 0.000 0.248 474 I C 2.462 178.267 176.117 -0.520 0.000 1.111 474 I CA 1.953 62.870 61.300 -0.639 0.000 1.382 474 I CB -0.665 36.751 38.000 -0.973 0.000 1.060 474 I HN 0.482 nan 8.210 nan 0.000 0.418 475 Y N 1.769 121.762 120.300 -0.513 0.000 2.242 475 Y HA -0.159 4.391 4.550 -0.000 0.000 0.291 475 Y C 2.633 178.246 175.900 -0.478 0.000 1.137 475 Y CA 1.298 59.194 58.100 -0.339 0.000 1.181 475 Y CB -0.244 38.056 38.460 -0.267 0.000 0.989 475 Y HN -0.087 nan 8.280 nan 0.000 0.527 476 R N 0.261 120.188 120.500 -0.956 0.000 2.092 476 R HA -0.119 4.221 4.340 0.000 0.000 0.231 476 R C 2.178 178.052 176.300 -0.710 0.000 1.119 476 R CA 1.360 56.848 56.100 -1.021 0.000 0.970 476 R CB -0.885 28.765 30.300 -1.084 0.000 0.864 476 R HN 0.476 nan 8.270 nan 0.000 0.440 477 L N 0.415 121.288 121.223 -0.583 0.000 2.095 477 L HA 0.069 4.409 4.340 0.000 0.000 0.204 477 L C 2.187 178.815 176.870 -0.404 0.000 1.080 477 L CA 1.707 56.265 54.840 -0.469 0.000 0.759 477 L CB -0.605 41.193 42.059 -0.434 0.000 0.914 477 L HN 0.072 nan 8.230 nan 0.000 0.439 478 A N -0.366 122.264 122.820 -0.317 0.000 1.883 478 A HA -0.277 4.043 4.320 0.000 0.000 0.217 478 A C 2.458 179.855 177.584 -0.311 0.000 1.186 478 A CA 2.112 54.005 52.037 -0.239 0.000 0.624 478 A CB -0.649 18.335 19.000 -0.027 0.000 0.822 478 A HN 0.477 nan 8.150 nan 0.000 0.444 479 K N -0.521 119.619 120.400 -0.433 0.000 2.002 479 K HA -0.242 4.078 4.320 0.000 0.000 0.209 479 K C 2.116 178.543 176.600 -0.288 0.000 1.048 479 K CA 1.837 57.890 56.287 -0.389 0.000 0.930 479 K CB -0.171 31.946 32.500 -0.639 0.000 0.714 479 K HN 0.444 nan 8.250 nan 0.000 0.438 480 E N 0.753 120.760 120.200 -0.322 0.000 2.097 480 E HA -0.196 4.154 4.350 0.000 0.000 0.196 480 E C 1.348 177.833 176.600 -0.192 0.000 1.000 480 E CA 1.279 57.545 56.400 -0.224 0.000 0.804 480 E CB -0.185 29.378 29.700 -0.228 0.000 0.740 480 E HN 0.185 nan 8.360 nan 0.000 0.454 481 L N 0.820 121.882 121.223 -0.268 0.000 2.645 481 L HA 0.135 4.475 4.340 0.000 0.000 0.235 481 L C -0.002 176.742 176.870 -0.210 0.000 1.150 481 L CA 0.575 55.258 54.840 -0.262 0.000 0.911 481 L CB -1.040 40.773 42.059 -0.410 0.000 1.077 481 L HN 0.085 nan 8.230 nan 0.000 0.438 482 K N -0.008 120.294 120.400 -0.164 0.000 3.177 482 K HA -0.227 4.093 4.320 0.000 0.000 0.266 482 K C 0.155 176.680 176.600 -0.125 0.000 0.937 482 K CA 0.467 56.686 56.287 -0.114 0.000 0.702 482 K CB -1.106 31.347 32.500 -0.078 0.000 1.365 482 K HN 0.136 nan 8.250 nan 0.000 0.466 483 R N 0.301 120.703 120.500 -0.163 0.000 2.637 483 R HA 0.247 4.587 4.340 0.000 0.000 0.269 483 R C -1.958 174.310 176.300 -0.053 0.000 1.089 483 R CA -2.007 54.005 56.100 -0.146 0.000 1.177 483 R CB -0.512 29.669 30.300 -0.197 0.000 1.091 483 R HN 0.058 nan 8.270 nan 0.000 0.540 484 P HA 0.009 nan 4.420 nan 0.000 0.266 484 P C 0.288 177.617 177.300 0.049 0.000 1.195 484 P CA -0.083 63.025 63.100 0.013 0.000 0.768 484 P CB 0.518 32.227 31.700 0.015 0.000 0.838 485 K N 2.928 123.367 120.400 0.064 0.000 2.160 485 K HA -0.210 4.110 4.320 0.000 0.000 0.206 485 K C 1.765 178.430 176.600 0.109 0.000 1.047 485 K CA 1.755 58.104 56.287 0.103 0.000 0.930 485 K CB -0.385 32.172 32.500 0.095 0.000 0.720 485 K HN 0.538 nan 8.250 nan 0.000 0.450 486 K N 1.733 122.177 120.400 0.074 0.000 2.063 486 K HA -0.190 4.130 4.320 0.000 0.000 0.208 486 K C 1.780 178.420 176.600 0.066 0.000 1.048 486 K CA 1.810 58.131 56.287 0.057 0.000 0.928 486 K CB 0.028 32.548 32.500 0.033 0.000 0.713 486 K HN 0.195 nan 8.250 nan 0.000 0.442 487 E N 0.642 120.903 120.200 0.102 0.000 2.015 487 E HA -0.142 4.208 4.350 0.000 0.000 0.191 487 E C 2.149 178.903 176.600 0.256 0.000 0.991 487 E CA 1.577 58.080 56.400 0.172 0.000 0.802 487 E CB -0.203 29.651 29.700 0.257 0.000 0.759 487 E HN 0.318 nan 8.360 nan 0.000 0.447 488 I N 1.321 122.035 120.570 0.241 0.000 2.236 488 I HA -0.332 3.838 4.170 0.000 0.000 0.249 488 I C 2.311 178.670 176.117 0.403 0.000 1.102 488 I CA 1.018 62.505 61.300 0.311 0.000 1.365 488 I CB -0.290 37.849 38.000 0.232 0.000 1.051 488 I HN 0.032 nan 8.210 nan 0.000 0.420 489 S N 0.507 116.374 115.700 0.278 0.000 2.387 489 S HA -0.092 4.378 4.470 0.000 0.000 0.226 489 S C 1.866 176.569 174.600 0.173 0.000 1.026 489 S CA 0.753 59.110 58.200 0.262 0.000 0.972 489 S CB -0.268 63.041 63.200 0.181 0.000 0.814 489 S HN 0.313 nan 8.310 nan 0.000 0.477 490 L N 0.842 122.077 121.223 0.020 0.000 2.083 490 L HA 0.018 4.358 4.340 0.000 0.000 0.209 490 L C 1.511 178.217 176.870 -0.273 0.000 1.083 490 L CA 1.850 56.565 54.840 -0.207 0.000 0.752 490 L CB -0.588 41.202 42.059 -0.449 0.000 0.899 490 L HN 0.210 nan 8.230 nan 0.000 0.433 491 F N -0.876 119.171 119.950 0.162 0.000 2.473 491 F HA 0.212 4.739 4.527 0.000 0.000 0.294 491 F C 2.423 178.321 175.800 0.164 0.000 1.103 491 F CA 0.611 58.701 58.000 0.150 0.000 1.442 491 F CB -1.195 37.874 39.000 0.115 0.000 1.097 491 F HN 0.108 nan 8.300 nan 0.000 0.547 492 A N 0.382 123.414 122.820 0.353 0.000 1.908 492 A HA -0.271 4.049 4.320 0.000 0.000 0.218 492 A C 2.218 180.039 177.584 0.396 0.000 1.181 492 A CA 2.155 54.383 52.037 0.319 0.000 0.627 492 A CB -0.698 18.553 19.000 0.420 0.000 0.818 492 A HN 0.330 nan 8.150 nan 0.000 0.445 493 K N -0.429 120.146 120.400 0.292 0.000 2.025 493 K HA -0.076 4.244 4.320 0.000 0.000 0.207 493 K C 2.218 178.939 176.600 0.201 0.000 1.049 493 K CA 1.402 57.828 56.287 0.233 0.000 0.933 493 K CB -0.197 32.393 32.500 0.151 0.000 0.714 493 K HN 0.403 nan 8.250 nan 0.000 0.438 494 R N -0.127 120.481 120.500 0.181 0.000 2.115 494 R HA -0.028 4.312 4.340 0.000 0.000 0.230 494 R C 2.234 178.744 176.300 0.350 0.000 1.111 494 R CA 0.951 57.175 56.100 0.206 0.000 0.976 494 R CB -0.311 30.122 30.300 0.223 0.000 0.870 494 R HN 0.269 nan 8.270 nan 0.000 0.445 495 A N 0.606 123.656 122.820 0.383 0.000 2.131 495 A HA -0.119 4.201 4.320 0.000 0.000 0.220 495 A C 1.754 179.762 177.584 0.706 0.000 1.158 495 A CA 1.172 53.498 52.037 0.482 0.000 0.665 495 A CB -0.113 19.083 19.000 0.326 0.000 0.795 495 A HN 0.117 nan 8.150 nan 0.000 0.460 496 M N -0.049 119.843 119.600 0.487 0.000 2.495 496 M HA 0.114 4.594 4.480 0.000 0.000 0.237 496 M C 0.738 177.052 176.300 0.024 0.000 1.131 496 M CA 0.130 55.589 55.300 0.264 0.000 1.032 496 M CB -0.980 31.682 32.600 0.103 0.000 1.513 496 M HN 0.288 nan 8.290 nan 0.000 0.488 497 N N 0.588 119.435 118.700 0.244 0.000 2.520 497 N HA -0.152 4.588 4.740 0.000 0.000 0.185 497 N C 1.488 177.125 175.510 0.212 0.000 1.068 497 N CA 0.862 54.024 53.050 0.188 0.000 0.911 497 N CB -0.298 38.330 38.487 0.236 0.000 0.961 497 N HN 0.594 nan 8.380 nan 0.000 0.446 498 Y N 0.597 121.061 120.300 0.273 0.000 2.274 498 Y HA 0.014 4.564 4.550 -0.000 0.000 0.290 498 Y C 1.777 177.789 175.900 0.186 0.000 1.145 498 Y CA 0.857 59.103 58.100 0.243 0.000 1.203 498 Y CB -0.583 38.020 38.460 0.238 0.000 0.984 498 Y HN -0.138 nan 8.280 nan 0.000 0.533 499 K N 0.565 120.659 120.400 -0.510 0.000 2.218 499 K HA -0.171 4.149 4.320 0.000 0.000 0.205 499 K C 1.278 177.889 176.600 0.018 0.000 1.046 499 K CA 1.347 57.474 56.287 -0.267 0.000 0.933 499 K CB -0.333 31.945 32.500 -0.371 0.000 0.728 499 K HN 0.425 nan 8.250 nan 0.000 0.454 500 N N 0.697 119.418 118.700 0.035 0.000 2.520 500 N HA -0.077 4.663 4.740 0.000 0.000 0.185 500 N C 1.203 176.694 175.510 -0.031 0.000 1.068 500 N CA 0.860 53.926 53.050 0.028 0.000 0.911 500 N CB 0.169 38.718 38.487 0.104 0.000 0.961 500 N HN 0.236 nan 8.380 nan 0.000 0.446 501 L N -1.007 120.288 121.223 0.119 0.000 2.858 501 L HA 0.275 4.615 4.340 0.000 0.000 0.251 501 L C -0.072 176.965 176.870 0.279 0.000 1.149 501 L CA -0.343 54.591 54.840 0.157 0.000 0.955 501 L CB 0.235 42.360 42.059 0.109 0.000 1.289 501 L HN -0.057 nan 8.230 nan 0.000 0.542 502 F N 2.000 122.018 119.950 0.114 0.000 2.427 502 F HA 0.212 4.739 4.527 0.000 0.000 0.352 502 F C 0.321 176.005 175.800 -0.195 0.000 1.100 502 F CA -0.530 57.452 58.000 -0.031 0.000 1.191 502 F CB 0.650 39.641 39.000 -0.014 0.000 1.128 502 F HN -0.085 nan 8.300 nan 0.000 0.533 503 D N 5.709 125.443 120.400 -1.111 0.000 2.392 503 D HA 0.210 4.850 4.640 0.000 0.000 0.228 503 D C 0.496 176.233 176.300 -0.938 0.000 1.074 503 D CA -0.408 52.904 54.000 -1.146 0.000 0.838 503 D CB 1.306 41.301 40.800 -1.340 0.000 1.067 503 D HN 0.609 nan 8.370 nan 0.000 0.511 504 K N 2.223 122.353 120.400 -0.451 0.000 2.063 504 K HA -0.157 4.163 4.320 0.000 0.000 0.208 504 K C 1.384 177.873 176.600 -0.185 0.000 1.048 504 K CA 1.312 57.517 56.287 -0.137 0.000 0.928 504 K CB 0.246 32.752 32.500 0.011 0.000 0.713 504 K HN 0.559 nan 8.250 nan 0.000 0.442 505 E N 0.526 120.583 120.200 -0.237 0.000 2.017 505 E HA -0.173 4.177 4.350 0.000 0.000 0.193 505 E C 2.168 178.665 176.600 -0.173 0.000 0.997 505 E CA 1.816 58.117 56.400 -0.165 0.000 0.804 505 E CB -0.117 29.486 29.700 -0.161 0.000 0.757 505 E HN 0.326 nan 8.360 nan 0.000 0.448 506 S N 0.209 115.753 115.700 -0.259 0.000 2.461 506 S HA -0.021 4.449 4.470 0.000 0.000 0.228 506 S C 0.727 175.143 174.600 -0.307 0.000 1.005 506 S CA 0.483 58.547 58.200 -0.227 0.000 0.942 506 S CB -0.079 63.021 63.200 -0.166 0.000 0.776 506 S HN 0.183 nan 8.310 nan 0.000 0.514 507 K N 0.344 120.481 120.400 -0.439 0.000 3.192 507 K HA -0.105 4.215 4.320 0.000 0.000 0.278 507 K C -0.888 175.355 176.600 -0.594 0.000 1.164 507 K CA 0.566 56.590 56.287 -0.438 0.000 0.816 507 K CB -2.035 30.422 32.500 -0.072 0.000 1.256 507 K HN 0.475 nan 8.250 nan 0.000 0.497 508 L N -0.070 120.679 121.223 -0.791 0.000 2.359 508 L HA 0.527 4.867 4.340 0.000 0.000 0.256 508 L C 0.386 176.876 176.870 -0.633 0.000 1.026 508 L CA -1.480 52.967 54.840 -0.656 0.000 0.828 508 L CB 1.404 43.123 42.059 -0.567 0.000 1.406 508 L HN -0.082 nan 8.230 nan 0.000 0.413 509 M N 1.586 120.975 119.600 -0.351 0.000 2.245 509 M HA 0.296 4.776 4.480 0.000 0.000 0.330 509 M C -0.260 175.964 176.300 -0.126 0.000 1.098 509 M CA 0.544 55.764 55.300 -0.133 0.000 1.172 509 M CB 0.324 32.982 32.600 0.095 0.000 1.467 509 M HN 0.518 nan 8.290 nan 0.000 0.454 510 R N -0.115 120.314 120.500 -0.117 0.000 2.561 510 R HA 0.456 4.796 4.340 0.000 0.000 0.266 510 R C -0.413 175.813 176.300 -0.124 0.000 1.091 510 R CA -0.392 55.510 56.100 -0.330 0.000 0.927 510 R CB 1.298 31.000 30.300 -0.998 0.000 1.240 510 R HN 0.916 nan 8.270 nan 0.000 0.449 511 G N 2.662 111.327 108.800 -0.224 0.000 2.368 511 G HA2 0.048 4.008 3.960 0.000 0.000 0.233 511 G HA3 0.048 4.008 3.960 0.000 0.000 0.233 511 G C -0.664 174.070 174.900 -0.278 0.000 1.267 511 G CA -0.075 44.883 45.100 -0.237 0.000 0.873 511 G HN 0.587 nan 8.290 nan 0.000 0.539 512 R N 1.658 121.969 120.500 -0.316 0.000 2.561 512 R HA 0.215 4.555 4.340 0.000 0.000 0.297 512 R C -0.242 175.912 176.300 -0.245 0.000 0.969 512 R CA -0.873 54.878 56.100 -0.582 0.000 0.879 512 R CB 0.853 30.445 30.300 -1.180 0.000 1.178 512 R HN 0.576 nan 8.270 nan 0.000 0.445 513 N N 1.777 120.361 118.700 -0.193 0.000 2.354 513 N HA -0.066 4.674 4.740 0.000 0.000 0.246 513 N C 0.603 176.158 175.510 0.075 0.000 1.285 513 N CA -0.004 53.041 53.050 -0.009 0.000 0.925 513 N CB 0.866 39.341 38.487 -0.020 0.000 1.174 513 N HN 0.721 nan 8.380 nan 0.000 0.478 514 E N 0.239 120.473 120.200 0.058 0.000 2.153 514 E HA -0.209 4.141 4.350 0.000 0.000 0.194 514 E C 0.341 176.984 176.600 0.072 0.000 0.988 514 E CA 1.091 57.522 56.400 0.051 0.000 0.811 514 E CB 0.066 29.756 29.700 -0.015 0.000 0.746 514 E HN 0.572 nan 8.360 nan 0.000 0.466 515 D N -1.242 119.182 120.400 0.041 0.000 2.363 515 D HA -0.019 4.621 4.640 0.000 0.000 0.226 515 D C 1.300 177.613 176.300 0.021 0.000 1.020 515 D CA 1.017 55.033 54.000 0.027 0.000 0.892 515 D CB 0.195 41.001 40.800 0.010 0.000 0.900 515 D HN 0.356 nan 8.370 nan 0.000 0.531 516 G N -0.051 108.765 108.800 0.026 0.000 2.258 516 G HA2 -0.274 3.686 3.960 0.000 0.000 0.233 516 G HA3 -0.274 3.686 3.960 0.000 0.000 0.233 516 G C 0.543 175.320 174.900 -0.205 0.000 1.006 516 G CA 0.411 45.478 45.100 -0.056 0.000 0.620 516 G HN 0.831 nan 8.290 nan 0.000 0.511 517 T N -0.160 114.312 114.554 -0.137 0.000 2.901 517 T HA 0.570 4.920 4.350 0.000 0.000 0.301 517 T C 0.457 175.017 174.700 -0.233 0.000 1.012 517 T CA -0.424 61.602 62.100 -0.124 0.000 1.135 517 T CB 0.994 69.835 68.868 -0.045 0.000 0.936 517 T HN 0.306 nan 8.240 nan 0.000 0.539 518 F N 2.456 122.296 119.950 -0.184 0.000 2.496 518 F HA 0.258 4.785 4.527 -0.000 0.000 0.344 518 F C 1.223 176.867 175.800 -0.260 0.000 1.155 518 F CA -0.315 57.525 58.000 -0.266 0.000 1.302 518 F CB 0.657 39.471 39.000 -0.310 0.000 1.159 518 F HN 0.690 nan 8.300 nan 0.000 0.595 519 Q N 1.150 120.846 119.800 -0.174 0.000 2.314 519 Q HA 0.449 4.789 4.340 0.000 0.000 0.258 519 Q C -0.896 175.001 176.000 -0.171 0.000 0.954 519 Q CA -0.179 55.432 55.803 -0.318 0.000 0.890 519 Q CB 1.293 29.462 28.738 -0.949 0.000 1.210 519 Q HN 0.451 nan 8.270 nan 0.000 0.410 520 S N 2.796 118.441 115.700 -0.092 0.000 2.542 520 S HA 0.687 5.157 4.470 0.000 0.000 0.293 520 S C -2.243 172.360 174.600 0.005 0.000 1.089 520 S CA -1.156 57.035 58.200 -0.016 0.000 0.961 520 S CB 1.109 64.309 63.200 0.000 0.000 1.062 520 S HN 0.821 nan 8.310 nan 0.000 0.483 521 P HA 0.481 nan 4.420 nan 0.000 0.276 521 P C -1.401 175.957 177.300 0.095 0.000 1.261 521 P CA -0.429 62.698 63.100 0.046 0.000 0.800 521 P CB 0.431 32.150 31.700 0.033 0.000 1.066 522 F N 0.181 120.086 119.950 -0.075 0.000 2.493 522 F HA 0.501 5.028 4.527 0.000 0.000 0.329 522 F C -0.706 175.064 175.800 -0.049 0.000 1.126 522 F CA -0.686 57.261 58.000 -0.088 0.000 0.937 522 F CB 1.784 40.701 39.000 -0.137 0.000 1.146 522 F HN 0.249 nan 8.300 nan 0.000 0.442 523 S N 7.928 123.239 115.700 -0.649 0.000 2.756 523 S HA 0.422 4.892 4.470 0.000 0.000 0.303 523 S C -1.919 172.229 174.600 -0.753 0.000 1.135 523 S CA -1.570 56.235 58.200 -0.659 0.000 1.066 523 S CB 1.268 64.340 63.200 -0.213 0.000 1.008 523 S HN 0.526 nan 8.310 nan 0.000 0.482 524 P HA -0.071 nan 4.420 nan 0.000 0.224 524 P C 0.701 177.936 177.300 -0.108 0.000 1.142 524 P CA 0.982 63.749 63.100 -0.555 0.000 0.778 524 P CB 0.079 31.455 31.700 -0.540 0.000 0.764 525 L N -1.846 119.378 121.223 0.001 0.000 2.693 525 L HA 0.212 4.552 4.340 0.000 0.000 0.235 525 L C 1.225 178.287 176.870 0.320 0.000 1.127 525 L CA -0.288 54.668 54.840 0.194 0.000 0.914 525 L CB -0.041 42.136 42.059 0.195 0.000 1.193 525 L HN -0.166 nan 8.230 nan 0.000 0.502 526 K N 0.695 121.229 120.400 0.223 0.000 2.339 526 K HA 0.058 4.378 4.320 0.000 0.000 0.286 526 K C -0.999 175.878 176.600 0.462 0.000 1.050 526 K CA -0.460 56.037 56.287 0.349 0.000 0.956 526 K CB 0.497 33.134 32.500 0.229 0.000 0.990 526 K HN -0.108 nan 8.250 nan 0.000 0.475 527 W N 3.329 124.807 121.300 0.296 0.000 2.303 527 W HA 0.415 5.075 4.660 0.000 0.000 0.334 527 W C 0.962 177.698 176.519 0.362 0.000 1.197 527 W CA 0.904 58.468 57.345 0.365 0.000 1.262 527 W CB 0.736 30.425 29.460 0.382 0.000 1.153 527 W HN 0.986 nan 8.180 nan 0.000 0.596 528 G N 1.729 110.825 108.800 0.493 0.000 2.562 528 G HA2 -0.283 3.677 3.960 0.000 0.000 0.250 528 G HA3 -0.283 3.677 3.960 0.000 0.000 0.250 528 G C 0.441 174.991 174.900 -0.582 0.000 1.269 528 G CA 1.050 46.087 45.100 -0.105 0.000 0.919 528 G HN 0.802 nan 8.290 nan 0.000 0.574 529 D N -2.540 116.785 120.400 -1.791 0.000 4.541 529 D HA -0.213 4.427 4.640 0.000 0.000 0.209 529 D C 2.162 178.130 176.300 -0.554 0.000 0.584 529 D CA 4.337 57.719 54.000 -1.029 0.000 1.297 529 D CB -1.541 39.058 40.800 -0.336 0.000 0.807 529 D HN 1.875 nan 8.370 nan 0.000 0.433 530 A N -0.753 121.844 122.820 -0.371 0.000 2.066 530 A HA 0.289 4.609 4.320 0.000 0.000 0.218 530 A C 1.096 178.127 177.584 -0.922 0.000 1.157 530 A CA 1.402 53.077 52.037 -0.604 0.000 0.670 530 A CB -0.276 18.282 19.000 -0.736 0.000 0.804 530 A HN 0.269 nan 8.150 nan 0.000 0.453 531 F N -2.227 117.600 119.950 -0.205 0.000 2.746 531 F HA 0.551 5.078 4.527 -0.000 0.000 0.378 531 F C 0.263 175.982 175.800 -0.134 0.000 1.165 531 F CA -0.872 56.977 58.000 -0.251 0.000 1.089 531 F CB 0.922 39.838 39.000 -0.140 0.000 1.439 531 F HN -0.361 nan 8.300 nan 0.000 0.516 532 T N 0.548 115.267 114.554 0.276 0.000 2.864 532 T HA 0.302 4.652 4.350 0.000 0.000 0.299 532 T C -0.885 174.093 174.700 0.463 0.000 1.011 532 T CA -0.714 61.570 62.100 0.308 0.000 0.975 532 T CB 0.447 69.479 68.868 0.274 0.000 0.962 532 T HN 0.589 nan 8.240 nan 0.000 0.448 533 E N 1.357 121.822 120.200 0.442 0.000 2.228 533 E HA -0.153 4.197 4.350 0.000 0.000 0.213 533 E C 0.407 177.160 176.600 0.255 0.000 1.282 533 E CA 0.537 57.173 56.400 0.393 0.000 0.707 533 E CB -1.229 28.591 29.700 0.200 0.000 1.150 533 E HN 0.936 nan 8.360 nan 0.000 0.362 534 G N 0.180 109.067 108.800 0.146 0.000 2.356 534 G HA2 0.413 4.373 3.960 0.000 0.000 0.294 534 G HA3 0.413 4.373 3.960 0.000 0.000 0.294 534 G C -1.284 173.407 174.900 -0.347 0.000 1.423 534 G CA -0.351 44.537 45.100 -0.353 0.000 0.806 534 G HN 0.151 nan 8.290 nan 0.000 0.527 535 N N -1.714 116.615 118.700 -0.618 0.000 3.002 535 N HA 0.599 5.339 4.740 0.000 0.000 0.331 535 N C 1.241 176.219 175.510 -0.885 0.000 1.384 535 N CA 0.134 52.835 53.050 -0.581 0.000 0.780 535 N CB 1.130 39.321 38.487 -0.493 0.000 1.492 535 N HN 0.531 nan 8.380 nan 0.000 0.608 536 S N -1.295 113.935 115.700 -0.784 0.000 2.382 536 S HA -0.092 4.378 4.470 0.000 0.000 0.228 536 S C 0.949 175.188 174.600 -0.601 0.000 1.027 536 S CA 0.953 58.671 58.200 -0.803 0.000 0.991 536 S CB -0.599 62.473 63.200 -0.213 0.000 0.823 536 S HN 0.556 nan 8.310 nan 0.000 0.469 537 W N 0.895 121.877 121.300 -0.531 0.000 2.421 537 W HA -0.017 4.643 4.660 0.000 0.000 0.270 537 W C 2.184 178.537 176.519 -0.276 0.000 1.233 537 W CA 1.174 58.281 57.345 -0.398 0.000 1.226 537 W CB -0.210 29.021 29.460 -0.382 0.000 1.121 537 W HN 0.592 nan 8.180 nan 0.000 0.579 538 H N -3.794 115.225 119.070 -0.084 0.000 2.418 538 H HA -0.023 4.533 4.556 0.000 0.000 0.300 538 H C 1.449 176.664 175.328 -0.187 0.000 1.041 538 H CA 1.159 57.138 56.048 -0.116 0.000 1.364 538 H CB -0.438 29.138 29.762 -0.310 0.000 1.439 538 H HN 0.050 nan 8.280 nan 0.000 0.540 539 Y N 1.012 121.148 120.300 -0.275 0.000 2.457 539 Y HA -0.154 4.396 4.550 -0.000 0.000 0.292 539 Y C 2.450 178.210 175.900 -0.233 0.000 1.125 539 Y CA 0.855 58.830 58.100 -0.208 0.000 1.254 539 Y CB 0.138 38.418 38.460 -0.300 0.000 1.012 539 Y HN 0.137 nan 8.280 nan 0.000 0.555 540 T N -0.629 113.690 114.554 -0.391 0.000 2.685 540 T HA -0.282 4.068 4.350 0.000 0.000 0.268 540 T C 1.018 175.385 174.700 -0.555 0.000 1.034 540 T CA 2.077 63.825 62.100 -0.587 0.000 1.149 540 T CB -0.560 67.690 68.868 -1.029 0.000 0.860 540 T HN 0.532 nan 8.240 nan 0.000 0.449 541 W N 1.518 122.771 121.300 -0.077 0.000 2.961 541 W HA 0.195 4.855 4.660 -0.000 0.000 0.240 541 W C 1.338 177.759 176.519 -0.163 0.000 1.305 541 W CA -0.445 56.815 57.345 -0.141 0.000 1.465 541 W CB -0.455 28.831 29.460 -0.291 0.000 1.135 541 W HN -0.015 nan 8.180 nan 0.000 0.688 542 S N 1.122 116.795 115.700 -0.045 0.000 4.085 542 S HA 0.198 4.668 4.470 0.000 0.000 0.189 542 S C 0.235 174.710 174.600 -0.208 0.000 1.392 542 S CA 0.071 58.134 58.200 -0.228 0.000 0.972 542 S CB -0.453 62.881 63.200 0.223 0.000 1.482 542 S HN -0.029 nan 8.310 nan 0.000 0.446 543 V N 2.609 122.263 119.914 -0.434 0.000 2.575 543 V HA 0.198 4.318 4.120 0.000 0.000 0.281 543 V C 0.411 176.275 176.094 -0.384 0.000 1.087 543 V CA -0.471 61.616 62.300 -0.356 0.000 1.193 543 V CB -0.604 30.852 31.823 -0.612 0.000 1.426 543 V HN 0.581 nan 8.190 nan 0.000 0.623 544 F N 0.700 120.495 119.950 -0.259 0.000 2.147 544 F HA -0.220 4.307 4.527 0.000 0.000 0.301 544 F C 2.546 178.154 175.800 -0.321 0.000 1.084 544 F CA 2.189 59.964 58.000 -0.375 0.000 1.268 544 F CB -0.578 37.967 39.000 -0.759 0.000 1.009 544 F HN 0.639 nan 8.300 nan 0.000 0.486 545 H N -2.158 116.715 119.070 -0.330 0.000 2.551 545 H HA 0.144 4.700 4.556 0.000 0.000 0.266 545 H C -0.087 175.067 175.328 -0.291 0.000 0.964 545 H CA 1.031 56.739 56.048 -0.567 0.000 1.180 545 H CB -0.275 28.757 29.762 -1.218 0.000 1.408 545 H HN 0.231 nan 8.280 nan 0.000 0.563 546 D N 0.375 120.351 120.400 -0.708 0.000 2.945 546 D HA 0.233 4.873 4.640 0.000 0.000 0.340 546 D C -2.038 173.990 176.300 -0.453 0.000 1.240 546 D CA -1.945 51.738 54.000 -0.529 0.000 0.749 546 D CB 0.853 41.313 40.800 -0.568 0.000 1.217 546 D HN -0.014 nan 8.370 nan 0.000 0.514 547 P HA -0.171 nan 4.420 nan 0.000 0.216 547 P C 1.383 178.468 177.300 -0.357 0.000 1.150 547 P CA 1.027 63.845 63.100 -0.470 0.000 0.837 547 P CB 0.428 31.567 31.700 -0.935 0.000 0.786 548 Q N -0.085 119.574 119.800 -0.234 0.000 2.124 548 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 548 Q C 2.196 178.089 176.000 -0.179 0.000 0.977 548 Q CA 2.193 57.878 55.803 -0.197 0.000 0.850 548 Q CB -1.555 27.107 28.738 -0.127 0.000 0.901 548 Q HN 0.170 nan 8.270 nan 0.000 0.429 549 G N 0.527 109.238 108.800 -0.147 0.000 2.469 549 G HA2 -0.268 3.692 3.960 0.000 0.000 0.220 549 G HA3 -0.268 3.692 3.960 0.000 0.000 0.220 549 G C 1.317 176.190 174.900 -0.044 0.000 1.136 549 G CA 1.074 46.151 45.100 -0.038 0.000 0.759 549 G HN 0.416 nan 8.290 nan 0.000 0.562 550 L N 0.607 121.766 121.223 -0.107 0.000 2.044 550 L HA 0.196 4.536 4.340 0.000 0.000 0.205 550 L C 2.724 179.559 176.870 -0.059 0.000 1.075 550 L CA 1.112 55.915 54.840 -0.062 0.000 0.747 550 L CB -0.457 41.606 42.059 0.007 0.000 0.903 550 L HN 0.257 nan 8.230 nan 0.000 0.435 551 I N 0.112 120.541 120.570 -0.235 0.000 2.113 551 I HA -0.399 3.771 4.170 0.000 0.000 0.242 551 I C 2.098 178.163 176.117 -0.086 0.000 1.064 551 I CA 1.744 62.895 61.300 -0.247 0.000 1.320 551 I CB -0.722 36.988 38.000 -0.482 0.000 1.028 551 I HN 0.325 nan 8.210 nan 0.000 0.406 552 D N 0.880 121.207 120.400 -0.122 0.000 2.116 552 D HA -0.185 4.455 4.640 0.000 0.000 0.193 552 D C 2.313 178.534 176.300 -0.131 0.000 0.998 552 D CA 1.299 55.239 54.000 -0.100 0.000 0.836 552 D CB -0.483 40.253 40.800 -0.105 0.000 0.951 552 D HN 0.316 nan 8.370 nan 0.000 0.449 553 L N -0.136 120.939 121.223 -0.247 0.000 2.042 553 L HA -0.148 4.192 4.340 0.000 0.000 0.210 553 L C 2.386 179.076 176.870 -0.299 0.000 1.076 553 L CA 0.985 55.506 54.840 -0.532 0.000 0.749 553 L CB -0.285 41.092 42.059 -1.136 0.000 0.893 553 L HN 0.060 nan 8.230 nan 0.000 0.432 554 M N -1.017 118.562 119.600 -0.035 0.000 2.618 554 M HA 0.085 4.565 4.480 0.000 0.000 0.240 554 M C 1.085 177.477 176.300 0.154 0.000 1.123 554 M CA 0.786 56.212 55.300 0.211 0.000 1.060 554 M CB 0.155 32.948 32.600 0.323 0.000 1.535 554 M HN 0.425 nan 8.290 nan 0.000 0.507 555 G N 1.074 109.920 108.800 0.076 0.000 2.165 555 G HA2 0.015 3.975 3.960 0.000 0.000 0.226 555 G HA3 0.015 3.975 3.960 0.000 0.000 0.226 555 G C 0.257 175.202 174.900 0.076 0.000 1.035 555 G CA -0.113 45.026 45.100 0.065 0.000 0.744 555 G HN 0.919 nan 8.290 nan 0.000 0.501 556 G N -0.878 107.967 108.800 0.076 0.000 2.515 556 G HA2 0.370 4.330 3.960 0.000 0.000 0.686 556 G HA3 0.370 4.330 3.960 0.000 0.000 0.686 556 G C 0.702 175.678 174.900 0.127 0.000 1.274 556 G CA 0.384 45.526 45.100 0.071 0.000 0.874 556 G HN 1.442 nan 8.290 nan 0.000 0.631 557 K N -0.118 120.338 120.400 0.094 0.000 2.160 557 K HA -0.138 4.182 4.320 0.000 0.000 0.206 557 K C 1.693 178.438 176.600 0.241 0.000 1.047 557 K CA 2.326 58.700 56.287 0.145 0.000 0.930 557 K CB -0.010 32.545 32.500 0.090 0.000 0.720 557 K HN 0.491 nan 8.250 nan 0.000 0.450 558 E N 1.070 121.381 120.200 0.185 0.000 2.046 558 E HA -0.036 4.314 4.350 0.000 0.000 0.190 558 E C 2.173 178.894 176.600 0.202 0.000 0.982 558 E CA 1.621 58.129 56.400 0.180 0.000 0.800 558 E CB -0.144 29.635 29.700 0.132 0.000 0.756 558 E HN 0.328 nan 8.360 nan 0.000 0.449 559 M N -0.272 119.447 119.600 0.198 0.000 2.175 559 M HA -0.060 4.420 4.480 0.000 0.000 0.264 559 M C 2.073 178.530 176.300 0.262 0.000 1.063 559 M CA 1.126 56.545 55.300 0.199 0.000 1.119 559 M CB -0.400 32.301 32.600 0.169 0.000 1.377 559 M HN 0.096 nan 8.290 nan 0.000 0.415 560 F N 1.495 121.543 119.950 0.162 0.000 2.069 560 F HA -0.201 4.326 4.527 0.000 0.000 0.298 560 F C 2.190 178.129 175.800 0.231 0.000 1.113 560 F CA 1.628 59.753 58.000 0.208 0.000 1.214 560 F CB -0.213 38.888 39.000 0.167 0.000 0.978 560 F HN -0.222 nan 8.300 nan 0.000 0.474 561 V N -0.344 119.769 119.914 0.332 0.000 2.594 561 V HA -0.287 3.833 4.120 0.000 0.000 0.253 561 V C 2.248 178.458 176.094 0.194 0.000 1.069 561 V CA 2.289 64.745 62.300 0.261 0.000 1.082 561 V CB -0.883 31.115 31.823 0.292 0.000 0.680 561 V HN 0.464 nan 8.190 nan 0.000 0.469 562 T N -0.447 114.217 114.554 0.184 0.000 2.812 562 T HA -0.119 4.231 4.350 0.000 0.000 0.264 562 T C 1.960 176.770 174.700 0.182 0.000 1.042 562 T CA 1.222 63.424 62.100 0.171 0.000 1.140 562 T CB -0.222 68.740 68.868 0.158 0.000 0.870 562 T HN 0.189 nan 8.240 nan 0.000 0.445 563 M N 0.540 120.256 119.600 0.192 0.000 2.159 563 M HA 0.053 4.533 4.480 0.000 0.000 0.263 563 M C 2.261 178.740 176.300 0.299 0.000 1.063 563 M CA 1.418 56.898 55.300 0.300 0.000 1.110 563 M CB -0.964 31.812 32.600 0.293 0.000 1.374 563 M HN 0.329 nan 8.290 nan 0.000 0.411 564 M N -0.345 119.259 119.600 0.007 0.000 2.123 564 M HA -0.193 4.287 4.480 0.000 0.000 0.263 564 M C 1.519 177.827 176.300 0.014 0.000 1.069 564 M CA 1.399 56.533 55.300 -0.276 0.000 1.133 564 M CB -0.589 31.649 32.600 -0.603 0.000 1.356 564 M HN 0.130 nan 8.290 nan 0.000 0.415 565 D N 0.422 120.948 120.400 0.211 0.000 2.158 565 D HA -0.120 4.520 4.640 0.000 0.000 0.197 565 D C 2.045 178.451 176.300 0.176 0.000 0.995 565 D CA 1.532 55.707 54.000 0.291 0.000 0.846 565 D CB -0.223 40.722 40.800 0.241 0.000 0.941 565 D HN 0.268 nan 8.370 nan 0.000 0.456 566 S N 0.023 115.769 115.700 0.077 0.000 2.368 566 S HA -0.118 4.352 4.470 0.000 0.000 0.225 566 S C 2.406 176.817 174.600 -0.316 0.000 1.030 566 S CA 0.646 58.805 58.200 -0.068 0.000 0.999 566 S CB -0.528 62.650 63.200 -0.038 0.000 0.844 566 S HN 0.093 nan 8.310 nan 0.000 0.459 567 V N 1.543 121.222 119.914 -0.392 0.000 2.277 567 V HA -0.290 3.830 4.120 0.000 0.000 0.255 567 V C 2.033 177.778 176.094 -0.581 0.000 1.074 567 V CA 2.135 64.091 62.300 -0.572 0.000 1.058 567 V CB -1.019 30.490 31.823 -0.524 0.000 0.656 567 V HN 0.443 nan 8.190 nan 0.000 0.449 568 F N 0.084 119.853 119.950 -0.302 0.000 2.325 568 F HA 0.102 4.629 4.527 -0.000 0.000 0.299 568 F C 2.208 177.932 175.800 -0.125 0.000 1.090 568 F CA 1.128 58.947 58.000 -0.302 0.000 1.392 568 F CB -0.579 38.093 39.000 -0.547 0.000 1.053 568 F HN 0.125 nan 8.300 nan 0.000 0.521 569 A N -0.098 122.745 122.820 0.038 0.000 2.220 569 A HA 0.265 4.585 4.320 0.000 0.000 0.211 569 A C 0.572 178.130 177.584 -0.042 0.000 1.176 569 A CA 0.193 52.256 52.037 0.044 0.000 0.834 569 A CB -0.788 18.257 19.000 0.075 0.000 0.868 569 A HN 0.031 nan 8.150 nan 0.000 0.488 570 V N -1.585 118.233 119.914 -0.160 0.000 2.461 570 V HA 0.405 4.525 4.120 0.000 0.000 0.275 570 V C -2.858 173.166 176.094 -0.117 0.000 1.047 570 V CA -2.838 59.353 62.300 -0.183 0.000 0.955 570 V CB 0.335 31.935 31.823 -0.372 0.000 0.988 570 V HN 0.067 nan 8.190 nan 0.000 0.471 571 P HA 0.020 nan 4.420 nan 0.000 0.261 571 P C -2.196 175.106 177.300 0.002 0.000 1.158 571 P CA -0.412 62.681 63.100 -0.010 0.000 0.758 571 P CB -0.116 31.580 31.700 -0.007 0.000 0.763 572 P HA 0.020 nan 4.420 nan 0.000 0.238 572 P C 0.263 177.690 177.300 0.211 0.000 1.714 572 P CA 0.156 63.333 63.100 0.128 0.000 0.908 572 P CB -0.667 31.112 31.700 0.132 0.000 1.893 573 I N -1.129 119.514 120.570 0.122 0.000 2.836 573 I HA 0.368 4.538 4.170 0.000 0.000 0.285 573 I C 0.153 176.393 176.117 0.205 0.000 1.174 573 I CA -0.269 61.065 61.300 0.056 0.000 1.405 573 I CB -0.315 37.673 38.000 -0.021 0.000 1.385 573 I HN -0.044 nan 8.210 nan 0.000 0.594 574 F N 1.539 121.530 119.950 0.069 0.000 2.745 574 F HA 0.686 5.213 4.527 -0.000 0.000 0.316 574 F C -1.515 174.339 175.800 0.090 0.000 1.155 574 F CA -1.246 56.830 58.000 0.127 0.000 0.937 574 F CB 1.281 40.270 39.000 -0.018 0.000 1.361 574 F HN 0.445 nan 8.300 nan 0.000 0.472 575 D N 0.724 121.378 120.400 0.423 0.000 2.620 575 D HA 0.233 4.873 4.640 0.000 0.000 0.252 575 D C -0.741 175.821 176.300 0.436 0.000 1.207 575 D CA -0.468 53.701 54.000 0.282 0.000 0.884 575 D CB 1.499 42.426 40.800 0.211 0.000 1.262 575 D HN 0.691 nan 8.370 nan 0.000 0.552 576 D N 1.516 122.154 120.400 0.396 0.000 2.369 576 D HA -0.043 4.597 4.640 0.000 0.000 0.211 576 D C 1.172 177.668 176.300 0.327 0.000 1.077 576 D CA 0.012 54.243 54.000 0.385 0.000 0.842 576 D CB -0.041 40.948 40.800 0.316 0.000 0.947 576 D HN 0.240 nan 8.370 nan 0.000 0.509 577 S N 0.501 116.352 115.700 0.251 0.000 2.390 577 S HA -0.390 4.080 4.470 0.000 0.000 0.234 577 S C 1.887 176.599 174.600 0.187 0.000 1.063 577 S CA 1.326 59.638 58.200 0.187 0.000 1.108 577 S CB -1.371 61.922 63.200 0.154 0.000 0.975 577 S HN 0.399 nan 8.310 nan 0.000 0.442 578 Y N 2.043 122.390 120.300 0.078 0.000 2.069 578 Y HA -0.303 4.247 4.550 0.000 0.000 0.278 578 Y C 2.160 177.977 175.900 -0.139 0.000 1.175 578 Y CA 1.762 59.817 58.100 -0.075 0.000 1.134 578 Y CB -0.771 37.583 38.460 -0.176 0.000 0.965 578 Y HN 0.308 nan 8.280 nan 0.000 0.498 579 Y N -0.851 119.513 120.300 0.107 0.000 2.475 579 Y HA 0.172 4.722 4.550 -0.000 0.000 0.289 579 Y C 2.227 178.120 175.900 -0.012 0.000 1.121 579 Y CA 0.759 58.853 58.100 -0.010 0.000 1.257 579 Y CB -0.377 38.123 38.460 0.067 0.000 1.026 579 Y HN 0.256 nan 8.280 nan 0.000 0.555 580 G N 0.422 109.315 108.800 0.155 0.000 2.168 580 G HA2 -0.274 3.687 3.960 0.000 0.000 0.263 580 G HA3 -0.274 3.687 3.960 0.000 0.000 0.263 580 G C 0.051 175.019 174.900 0.113 0.000 0.977 580 G CA 0.652 45.814 45.100 0.103 0.000 0.659 580 G HN 0.521 nan 8.290 nan 0.000 0.533 581 Q N -2.690 117.193 119.800 0.138 0.000 2.804 581 Q HA 0.604 4.944 4.340 0.000 0.000 0.302 581 Q C -1.221 174.810 176.000 0.051 0.000 0.885 581 Q CA -1.017 54.848 55.803 0.104 0.000 0.759 581 Q CB 1.243 30.051 28.738 0.117 0.000 1.465 581 Q HN 0.456 nan 8.270 nan 0.000 0.432 582 V N 2.872 122.783 119.914 -0.005 0.000 2.284 582 V HA 0.268 4.388 4.120 0.000 0.000 0.260 582 V C 0.432 176.386 176.094 -0.233 0.000 1.084 582 V CA -0.466 61.734 62.300 -0.166 0.000 0.894 582 V CB -0.549 31.205 31.823 -0.114 0.000 1.119 582 V HN 0.608 nan 8.190 nan 0.000 0.484 583 I N 1.094 121.450 120.570 -0.358 0.000 3.060 583 I HA 0.226 4.396 4.170 0.000 0.000 0.285 583 I C 1.838 177.719 176.117 -0.393 0.000 1.190 583 I CA -0.153 60.926 61.300 -0.367 0.000 1.363 583 I CB 0.189 37.865 38.000 -0.540 0.000 1.396 583 I HN 0.763 nan 8.210 nan 0.000 0.607 584 H N 1.077 119.923 119.070 -0.372 0.000 2.352 584 H HA -0.150 4.406 4.556 0.000 0.000 0.299 584 H C 1.530 176.708 175.328 -0.250 0.000 1.097 584 H CA 1.703 57.594 56.048 -0.263 0.000 1.311 584 H CB -0.406 29.263 29.762 -0.155 0.000 1.377 584 H HN 0.731 nan 8.280 nan 0.000 0.504 585 E N 0.943 120.642 120.200 -0.835 0.000 2.097 585 E HA -0.148 4.202 4.350 0.000 0.000 0.196 585 E C 2.186 178.531 176.600 -0.425 0.000 1.000 585 E CA 1.824 57.919 56.400 -0.507 0.000 0.804 585 E CB -0.164 29.314 29.700 -0.370 0.000 0.740 585 E HN 0.634 nan 8.360 nan 0.000 0.454 586 I N 0.042 120.129 120.570 -0.805 0.000 2.163 586 I HA -0.249 3.921 4.170 0.000 0.000 0.240 586 I C 2.461 178.188 176.117 -0.649 0.000 1.081 586 I CA 0.925 61.532 61.300 -1.156 0.000 1.353 586 I CB -0.224 36.791 38.000 -1.641 0.000 1.054 586 I HN 0.022 nan 8.210 nan 0.000 0.407 587 R N 1.578 121.792 120.500 -0.476 0.000 2.094 587 R HA -0.218 4.122 4.340 0.000 0.000 0.239 587 R C 2.046 178.248 176.300 -0.164 0.000 1.137 587 R CA 1.857 57.800 56.100 -0.262 0.000 0.943 587 R CB -0.532 29.672 30.300 -0.161 0.000 0.850 587 R HN 0.337 nan 8.270 nan 0.000 0.433 588 E N -0.385 119.730 120.200 -0.142 0.000 2.086 588 E HA -0.297 4.053 4.350 0.000 0.000 0.200 588 E C 1.958 178.513 176.600 -0.076 0.000 1.012 588 E CA 2.080 58.432 56.400 -0.080 0.000 0.812 588 E CB -0.271 29.390 29.700 -0.064 0.000 0.743 588 E HN 0.405 nan 8.360 nan 0.000 0.453 589 M N 0.673 120.219 119.600 -0.090 0.000 2.086 589 M HA -0.180 4.300 4.480 0.000 0.000 0.261 589 M C 2.395 178.689 176.300 -0.010 0.000 1.067 589 M CA 2.216 57.498 55.300 -0.031 0.000 1.116 589 M CB -0.368 32.277 32.600 0.074 0.000 1.348 589 M HN 0.235 nan 8.290 nan 0.000 0.407 590 T N -1.221 113.314 114.554 -0.033 0.000 2.803 590 T HA -0.114 4.236 4.350 0.000 0.000 0.269 590 T C 1.553 176.265 174.700 0.020 0.000 1.052 590 T CA 1.641 63.752 62.100 0.017 0.000 1.136 590 T CB -1.536 67.347 68.868 0.026 0.000 0.864 590 T HN 0.486 nan 8.240 nan 0.000 0.467 591 V N -0.859 119.055 119.914 -0.001 0.000 3.041 591 V HA 0.188 4.308 4.120 0.000 0.000 0.260 591 V C 2.442 178.546 176.094 0.017 0.000 1.105 591 V CA 1.072 63.377 62.300 0.008 0.000 1.125 591 V CB -1.110 30.712 31.823 -0.002 0.000 0.730 591 V HN 0.426 nan 8.190 nan 0.000 0.479 592 M N 0.498 120.109 119.600 0.019 0.000 2.349 592 M HA 0.121 4.601 4.480 0.000 0.000 0.266 592 M C 1.225 177.561 176.300 0.060 0.000 1.076 592 M CA 1.330 56.648 55.300 0.031 0.000 1.126 592 M CB -0.539 32.077 32.600 0.027 0.000 1.392 592 M HN 0.657 nan 8.290 nan 0.000 0.440 593 N N 0.899 119.638 118.700 0.065 0.000 2.783 593 N HA -0.151 4.589 4.740 0.000 0.000 0.247 593 N C -0.502 175.084 175.510 0.127 0.000 1.089 593 N CA 0.027 53.127 53.050 0.084 0.000 0.690 593 N CB -0.422 38.110 38.487 0.075 0.000 0.991 593 N HN 0.377 nan 8.380 nan 0.000 0.552 594 M N 0.542 120.220 119.600 0.130 0.000 3.114 594 M HA 0.195 4.675 4.480 0.000 0.000 0.386 594 M C 1.133 177.500 176.300 0.111 0.000 1.417 594 M CA 0.326 55.741 55.300 0.191 0.000 0.785 594 M CB 0.848 33.601 32.600 0.255 0.000 1.413 594 M HN 0.401 nan 8.290 nan 0.000 0.498 595 G N 1.957 110.797 108.800 0.067 0.000 2.614 595 G HA2 -0.323 3.637 3.960 0.000 0.000 0.303 595 G HA3 -0.323 3.637 3.960 0.000 0.000 0.303 595 G C 0.348 175.230 174.900 -0.031 0.000 1.270 595 G CA 0.350 45.441 45.100 -0.015 0.000 0.988 595 G HN 0.621 nan 8.290 nan 0.000 0.551 596 N N 0.261 118.887 118.700 -0.122 0.000 2.362 596 N HA 0.050 4.790 4.740 0.000 0.000 0.204 596 N C 0.085 175.594 175.510 -0.002 0.000 1.166 596 N CA 0.060 53.105 53.050 -0.008 0.000 0.831 596 N CB 0.106 38.529 38.487 -0.107 0.000 1.008 596 N HN 0.438 nan 8.380 nan 0.000 0.472 597 Y N 2.071 122.205 120.300 -0.276 0.000 2.573 597 Y HA 0.231 4.781 4.550 0.000 0.000 0.346 597 Y C 0.295 176.081 175.900 -0.191 0.000 1.198 597 Y CA -1.154 56.731 58.100 -0.358 0.000 1.627 597 Y CB -0.412 37.691 38.460 -0.595 0.000 1.457 597 Y HN -0.038 nan 8.280 nan 0.000 0.483 598 A N 5.425 127.865 122.820 -0.633 0.000 3.026 598 A HA 0.013 4.333 4.320 0.000 0.000 0.272 598 A C 1.581 178.743 177.584 -0.702 0.000 1.782 598 A CA -0.063 51.626 52.037 -0.579 0.000 1.451 598 A CB -1.145 17.507 19.000 -0.579 0.000 1.081 598 A HN 0.980 nan 8.150 nan 0.000 0.611 599 H N 1.773 120.299 119.070 -0.907 0.000 2.489 599 H HA -0.138 4.418 4.556 -0.000 0.000 0.295 599 H C 1.851 176.910 175.328 -0.449 0.000 1.082 599 H CA 1.621 57.217 56.048 -0.755 0.000 1.295 599 H CB 0.220 29.654 29.762 -0.547 0.000 1.380 599 H HN 0.634 nan 8.280 nan 0.000 0.548 600 G N -0.057 108.562 108.800 -0.302 0.000 2.776 600 G HA2 -0.129 3.831 3.960 0.000 0.000 0.209 600 G HA3 -0.129 3.831 3.960 0.000 0.000 0.209 600 G C 0.165 174.945 174.900 -0.200 0.000 1.145 600 G CA -0.069 44.906 45.100 -0.208 0.000 0.791 600 G HN 0.260 nan 8.290 nan 0.000 0.530 601 N N -1.847 116.690 118.700 -0.272 0.000 2.357 601 N HA 0.344 5.084 4.740 0.000 0.000 0.284 601 N C 0.746 176.121 175.510 -0.226 0.000 1.236 601 N CA -0.652 52.303 53.050 -0.158 0.000 0.774 601 N CB 1.733 40.173 38.487 -0.078 0.000 1.534 601 N HN -0.197 nan 8.380 nan 0.000 0.478 602 Q N 0.507 120.226 119.800 -0.135 0.000 2.123 602 Q HA 0.121 4.461 4.340 0.000 0.000 0.199 602 Q C -1.188 174.642 176.000 -0.283 0.000 0.966 602 Q CA 1.625 57.265 55.803 -0.271 0.000 0.845 602 Q CB -0.754 27.726 28.738 -0.430 0.000 0.907 602 Q HN 0.585 nan 8.270 nan 0.000 0.439 603 P HA -0.148 nan 4.420 nan 0.000 0.218 603 P C 0.789 178.012 177.300 -0.128 0.000 1.148 603 P CA 1.141 64.047 63.100 -0.324 0.000 0.822 603 P CB 0.091 31.465 31.700 -0.543 0.000 0.784 604 I N -1.095 119.378 120.570 -0.161 0.000 3.883 604 I HA -0.005 4.165 4.170 0.000 0.000 0.326 604 I C 1.630 177.750 176.117 0.006 0.000 1.283 604 I CA 0.356 61.611 61.300 -0.075 0.000 1.161 604 I CB -0.107 37.782 38.000 -0.186 0.000 1.012 604 I HN -0.093 nan 8.210 nan 0.000 0.421 605 Q N 0.036 119.844 119.800 0.014 0.000 2.291 605 Q HA -0.225 4.115 4.340 0.000 0.000 0.206 605 Q C 1.748 177.978 176.000 0.383 0.000 0.976 605 Q CA 1.370 57.206 55.803 0.055 0.000 0.875 605 Q CB -0.062 28.609 28.738 -0.111 0.000 0.927 605 Q HN 0.703 nan 8.270 nan 0.000 0.450 606 H N -1.002 118.193 119.070 0.208 0.000 2.562 606 H HA 0.101 4.657 4.556 -0.000 0.000 0.267 606 H C 1.802 177.231 175.328 0.167 0.000 0.959 606 H CA 0.234 56.408 56.048 0.210 0.000 1.204 606 H CB -0.377 29.575 29.762 0.315 0.000 1.430 606 H HN 0.162 nan 8.280 nan 0.000 0.545 607 M N 1.166 120.406 119.600 -0.600 0.000 2.116 607 M HA -0.203 4.277 4.480 0.000 0.000 0.255 607 M C 1.836 177.838 176.300 -0.496 0.000 1.075 607 M CA 1.708 56.571 55.300 -0.728 0.000 1.087 607 M CB -0.291 31.893 32.600 -0.693 0.000 1.340 607 M HN 0.286 nan 8.290 nan 0.000 0.402 608 I N -0.947 119.467 120.570 -0.260 0.000 2.394 608 I HA -0.307 3.863 4.170 0.000 0.000 0.251 608 I C 1.766 177.772 176.117 -0.186 0.000 1.136 608 I CA 1.193 62.321 61.300 -0.288 0.000 1.425 608 I CB -0.479 37.426 38.000 -0.158 0.000 1.079 608 I HN 0.254 nan 8.210 nan 0.000 0.425 609 Y N 0.538 120.831 120.300 -0.012 0.000 2.483 609 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 609 Y C 2.258 178.289 175.900 0.218 0.000 1.143 609 Y CA 0.749 58.930 58.100 0.136 0.000 1.289 609 Y CB -0.440 38.142 38.460 0.204 0.000 0.983 609 Y HN 0.127 nan 8.280 nan 0.000 0.556 610 L N -1.561 119.765 121.223 0.171 0.000 2.187 610 L HA -0.282 4.058 4.340 0.000 0.000 0.213 610 L C 1.777 178.822 176.870 0.292 0.000 1.100 610 L CA 1.157 56.109 54.840 0.187 0.000 0.765 610 L CB -0.784 41.244 42.059 -0.052 0.000 0.904 610 L HN 0.270 nan 8.230 nan 0.000 0.437 611 Y N 0.607 121.004 120.300 0.162 0.000 2.298 611 Y HA -0.281 4.269 4.550 -0.000 0.000 0.287 611 Y C 2.268 178.215 175.900 0.078 0.000 1.164 611 Y CA 1.170 59.321 58.100 0.085 0.000 1.229 611 Y CB -0.707 37.725 38.460 -0.046 0.000 0.977 611 Y HN 0.285 nan 8.280 nan 0.000 0.538 612 D N -1.797 118.783 120.400 0.299 0.000 2.178 612 D HA -0.163 4.477 4.640 0.000 0.000 0.202 612 D C 1.704 178.060 176.300 0.093 0.000 0.974 612 D CA 1.235 55.328 54.000 0.155 0.000 0.841 612 D CB -0.489 40.393 40.800 0.137 0.000 0.953 612 D HN 0.361 nan 8.370 nan 0.000 0.478 613 Y N 0.228 120.577 120.300 0.081 0.000 2.516 613 Y HA 0.191 4.741 4.550 -0.000 0.000 0.291 613 Y C 1.862 177.735 175.900 -0.046 0.000 1.131 613 Y CA 0.592 58.693 58.100 0.003 0.000 1.281 613 Y CB 0.076 38.501 38.460 -0.059 0.000 1.013 613 Y HN -0.082 nan 8.280 nan 0.000 0.554 614 A N -0.783 122.136 122.820 0.166 0.000 2.574 614 A HA 0.551 4.871 4.320 0.000 0.000 0.283 614 A C 1.662 179.299 177.584 0.088 0.000 1.270 614 A CA 0.343 52.448 52.037 0.113 0.000 0.945 614 A CB -0.851 18.316 19.000 0.278 0.000 1.127 614 A HN 0.464 nan 8.150 nan 0.000 0.522 615 G N -0.582 108.242 108.800 0.041 0.000 2.153 615 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 615 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 615 G C 0.094 174.887 174.900 -0.177 0.000 0.994 615 G CA 0.545 45.645 45.100 0.001 0.000 0.698 615 G HN 0.604 nan 8.290 nan 0.000 0.521 616 Q N -0.420 119.162 119.800 -0.364 0.000 2.831 616 Q HA 0.211 4.551 4.340 0.000 0.000 0.366 616 Q C -1.496 173.935 176.000 -0.949 0.000 0.899 616 Q CA -1.512 53.589 55.803 -1.171 0.000 0.987 616 Q CB 1.563 29.696 28.738 -1.008 0.000 1.382 616 Q HN 0.333 nan 8.270 nan 0.000 0.403 617 P HA -0.186 nan 4.420 nan 0.000 0.221 617 P C 0.702 177.968 177.300 -0.056 0.000 1.145 617 P CA 1.092 64.121 63.100 -0.120 0.000 0.795 617 P CB -0.087 31.652 31.700 0.064 0.000 0.775 618 W N 1.034 122.391 121.300 0.096 0.000 2.425 618 W HA 0.105 4.765 4.660 -0.000 0.000 0.277 618 W C 1.877 178.513 176.519 0.194 0.000 1.231 618 W CA 0.744 58.184 57.345 0.158 0.000 1.248 618 W CB -1.448 27.994 29.460 -0.030 0.000 1.117 618 W HN -0.168 nan 8.180 nan 0.000 0.568 619 K N 0.729 120.875 120.400 -0.423 0.000 2.062 619 K HA -0.028 4.292 4.320 0.000 0.000 0.205 619 K C 2.493 179.069 176.600 -0.040 0.000 1.051 619 K CA 1.414 57.485 56.287 -0.360 0.000 0.941 619 K CB -0.514 31.350 32.500 -1.061 0.000 0.719 619 K HN 0.213 nan 8.250 nan 0.000 0.440 620 A N 1.586 124.454 122.820 0.081 0.000 1.908 620 A HA -0.259 4.061 4.320 0.000 0.000 0.218 620 A C 2.029 179.658 177.584 0.075 0.000 1.181 620 A CA 1.532 53.691 52.037 0.202 0.000 0.627 620 A CB -0.514 18.554 19.000 0.113 0.000 0.818 620 A HN 0.338 nan 8.150 nan 0.000 0.445 621 Q N -2.085 117.790 119.800 0.125 0.000 2.124 621 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 621 Q C 2.010 178.029 176.000 0.033 0.000 0.977 621 Q CA 1.766 57.643 55.803 0.123 0.000 0.850 621 Q CB -0.414 28.487 28.738 0.271 0.000 0.901 621 Q HN 0.862 nan 8.270 nan 0.000 0.429 622 Y N -0.328 119.952 120.300 -0.034 0.000 2.114 622 Y HA -0.264 4.286 4.550 0.000 0.000 0.284 622 Y C 1.592 177.167 175.900 -0.542 0.000 1.143 622 Y CA 1.625 59.522 58.100 -0.339 0.000 1.135 622 Y CB -0.447 37.864 38.460 -0.248 0.000 0.980 622 Y HN 0.107 nan 8.280 nan 0.000 0.499 623 W N 0.421 121.547 121.300 -0.290 0.000 2.363 623 W HA -0.180 4.480 4.660 -0.000 0.000 0.296 623 W C 2.296 178.589 176.519 -0.378 0.000 1.212 623 W CA 1.118 58.190 57.345 -0.456 0.000 1.260 623 W CB -0.369 28.851 29.460 -0.400 0.000 1.131 623 W HN 0.112 nan 8.180 nan 0.000 0.530 624 L N -0.177 121.009 121.223 -0.062 0.000 1.994 624 L HA -0.232 4.108 4.340 0.000 0.000 0.208 624 L C 2.634 179.435 176.870 -0.115 0.000 1.071 624 L CA 1.288 56.097 54.840 -0.052 0.000 0.745 624 L CB -0.846 41.118 42.059 -0.159 0.000 0.892 624 L HN -0.108 nan 8.230 nan 0.000 0.431 625 R N 0.039 120.357 120.500 -0.303 0.000 2.105 625 R HA -0.177 4.163 4.340 0.000 0.000 0.239 625 R C 2.338 178.398 176.300 -0.400 0.000 1.135 625 R CA 1.428 57.288 56.100 -0.400 0.000 0.967 625 R CB -0.405 29.486 30.300 -0.682 0.000 0.861 625 R HN 0.321 nan 8.270 nan 0.000 0.442 626 Q N -0.314 119.171 119.800 -0.524 0.000 2.061 626 Q HA -0.130 4.210 4.340 0.000 0.000 0.204 626 Q C 2.156 178.085 176.000 -0.118 0.000 0.984 626 Q CA 1.871 57.447 55.803 -0.377 0.000 0.846 626 Q CB -0.456 28.051 28.738 -0.384 0.000 0.902 626 Q HN 0.287 nan 8.270 nan 0.000 0.421 627 V N 0.842 120.741 119.914 -0.025 0.000 2.358 627 V HA -0.223 3.897 4.120 0.000 0.000 0.246 627 V C 2.346 178.539 176.094 0.164 0.000 1.047 627 V CA 1.502 63.826 62.300 0.041 0.000 1.035 627 V CB -0.468 31.358 31.823 0.005 0.000 0.658 627 V HN 0.333 nan 8.190 nan 0.000 0.452 628 M N -0.545 119.177 119.600 0.203 0.000 2.279 628 M HA -0.161 4.319 4.480 0.000 0.000 0.264 628 M C 1.730 178.168 176.300 0.231 0.000 1.062 628 M CA 1.492 56.962 55.300 0.284 0.000 1.099 628 M CB -0.405 32.218 32.600 0.038 0.000 1.394 628 M HN 0.313 nan 8.290 nan 0.000 0.426 629 D N -0.204 120.231 120.400 0.057 0.000 2.183 629 D HA -0.013 4.627 4.640 0.000 0.000 0.205 629 D C 1.996 178.314 176.300 0.031 0.000 0.962 629 D CA 1.065 55.066 54.000 0.003 0.000 0.849 629 D CB 0.165 40.901 40.800 -0.105 0.000 0.978 629 D HN 0.327 nan 8.370 nan 0.000 0.488 630 R N -0.834 119.686 120.500 0.034 0.000 2.191 630 R HA 0.238 4.578 4.340 0.000 0.000 0.196 630 R C 1.659 177.970 176.300 0.018 0.000 0.991 630 R CA 0.085 56.195 56.100 0.016 0.000 1.075 630 R CB 0.268 30.567 30.300 -0.002 0.000 1.040 630 R HN 0.032 nan 8.270 nan 0.000 0.526 631 M N 0.080 119.698 119.600 0.030 0.000 2.561 631 M HA 0.154 4.634 4.480 0.000 0.000 0.238 631 M C -0.554 175.584 176.300 -0.270 0.000 1.131 631 M CA 0.704 55.938 55.300 -0.110 0.000 1.046 631 M CB 0.039 32.514 32.600 -0.209 0.000 1.532 631 M HN -0.044 nan 8.290 nan 0.000 0.497 632 Y N 0.019 120.308 120.300 -0.019 0.000 2.361 632 Y HA 0.471 5.021 4.550 0.000 0.000 0.337 632 Y C 0.444 176.256 175.900 -0.147 0.000 0.965 632 Y CA -1.237 56.791 58.100 -0.121 0.000 1.091 632 Y CB 1.558 39.894 38.460 -0.206 0.000 1.182 632 Y HN 0.009 nan 8.280 nan 0.000 0.450 633 T N -0.668 113.839 114.554 -0.079 0.000 2.896 633 T HA 0.412 4.762 4.350 0.000 0.000 0.297 633 T C -2.687 171.930 174.700 -0.138 0.000 1.108 633 T CA -2.501 59.551 62.100 -0.081 0.000 1.004 633 T CB 2.442 71.270 68.868 -0.067 0.000 1.159 633 T HN 0.194 nan 8.240 nan 0.000 0.499 634 P HA 0.206 nan 4.420 nan 0.000 0.241 634 P C 0.941 178.190 177.300 -0.085 0.000 1.191 634 P CA 0.187 63.243 63.100 -0.074 0.000 0.771 634 P CB -0.234 31.464 31.700 -0.003 0.000 0.929 635 G N 1.209 109.945 108.800 -0.107 0.000 2.563 635 G HA2 0.215 4.175 3.960 0.000 0.000 0.283 635 G HA3 0.215 4.175 3.960 0.000 0.000 0.283 635 G C -1.663 173.129 174.900 -0.180 0.000 1.309 635 G CA -1.265 43.754 45.100 -0.135 0.000 1.022 635 G HN -0.091 nan 8.290 nan 0.000 0.501 636 P HA 0.007 nan 4.420 nan 0.000 0.222 636 P C 0.545 177.738 177.300 -0.178 0.000 1.147 636 P CA 1.122 64.019 63.100 -0.338 0.000 0.790 636 P CB 0.217 31.353 31.700 -0.939 0.000 0.780 637 D N -1.469 118.837 120.400 -0.157 0.000 2.895 637 D HA 0.121 4.761 4.640 0.000 0.000 0.258 637 D C 1.348 177.607 176.300 -0.068 0.000 1.311 637 D CA -0.450 53.511 54.000 -0.066 0.000 0.843 637 D CB -0.947 39.821 40.800 -0.053 0.000 1.055 637 D HN 0.022 nan 8.370 nan 0.000 0.486 638 G N -0.590 108.137 108.800 -0.121 0.000 2.744 638 G HA2 -0.007 3.953 3.960 0.000 0.000 0.211 638 G HA3 -0.007 3.953 3.960 0.000 0.000 0.211 638 G C 0.010 174.713 174.900 -0.330 0.000 1.143 638 G CA 0.175 45.136 45.100 -0.233 0.000 0.788 638 G HN 0.258 nan 8.290 nan 0.000 0.534 639 Y N -1.804 118.445 120.300 -0.085 0.000 2.602 639 Y HA 0.362 4.912 4.550 -0.000 0.000 0.330 639 Y C 1.317 177.120 175.900 -0.162 0.000 1.114 639 Y CA -1.082 56.915 58.100 -0.172 0.000 1.182 639 Y CB 1.507 39.909 38.460 -0.097 0.000 1.305 639 Y HN 0.023 nan 8.280 nan 0.000 0.502 640 C N -1.574 117.710 119.300 -0.028 0.000 3.104 640 C HA 0.857 5.317 4.460 0.000 0.000 0.284 640 C C 0.544 175.524 174.990 -0.016 0.000 1.326 640 C CA 0.107 59.095 59.018 -0.050 0.000 1.725 640 C CB -1.167 26.502 27.740 -0.117 0.000 2.156 640 C HN 0.958 nan 8.230 nan 0.000 0.638 641 G N -0.294 108.518 108.800 0.019 0.000 2.342 641 G HA2 0.401 4.361 3.960 0.000 0.000 0.297 641 G HA3 0.401 4.361 3.960 0.000 0.000 0.297 641 G C -2.213 172.700 174.900 0.022 0.000 1.313 641 G CA -0.563 44.561 45.100 0.041 0.000 0.830 641 G HN 0.037 nan 8.290 nan 0.000 0.506 642 D N 0.753 121.204 120.400 0.086 0.000 2.531 642 D HA 0.122 4.762 4.640 0.000 0.000 0.239 642 D C 1.388 177.614 176.300 -0.123 0.000 1.144 642 D CA -0.044 53.988 54.000 0.053 0.000 0.869 642 D CB 1.568 42.507 40.800 0.233 0.000 1.160 642 D HN 0.436 nan 8.370 nan 0.000 0.484 643 E N 1.954 121.966 120.200 -0.312 0.000 2.077 643 E HA -0.211 4.139 4.350 0.000 0.000 0.193 643 E C -0.359 176.123 176.600 -0.197 0.000 0.989 643 E CA 0.834 56.938 56.400 -0.494 0.000 0.800 643 E CB 0.103 29.417 29.700 -0.644 0.000 0.746 643 E HN 0.451 nan 8.360 nan 0.000 0.452 644 D N 0.332 120.669 120.400 -0.105 0.000 2.848 644 D HA -0.213 4.427 4.640 0.000 0.000 0.245 644 D C -0.638 175.617 176.300 -0.076 0.000 1.122 644 D CA 1.019 55.012 54.000 -0.011 0.000 0.769 644 D CB -1.964 38.892 40.800 0.093 0.000 1.025 644 D HN 0.465 nan 8.370 nan 0.000 0.423 645 N N -1.176 117.382 118.700 -0.237 0.000 2.747 645 N HA -0.233 4.507 4.740 0.000 0.000 0.249 645 N C 1.083 176.564 175.510 -0.047 0.000 1.107 645 N CA 1.438 54.278 53.050 -0.349 0.000 0.707 645 N CB -1.047 37.238 38.487 -0.336 0.000 1.054 645 N HN 0.761 nan 8.380 nan 0.000 0.555 646 G N -1.162 107.628 108.800 -0.018 0.000 2.238 646 G HA2 -0.382 3.578 3.960 0.000 0.000 0.217 646 G HA3 -0.382 3.578 3.960 0.000 0.000 0.217 646 G C 0.660 175.623 174.900 0.105 0.000 0.996 646 G CA 0.763 45.898 45.100 0.058 0.000 0.632 646 G HN 0.435 nan 8.290 nan 0.000 0.503 647 Q N 1.240 121.094 119.800 0.091 0.000 2.002 647 Q HA -0.013 4.327 4.340 0.000 0.000 0.204 647 Q C 2.439 178.577 176.000 0.229 0.000 0.988 647 Q CA 3.173 59.061 55.803 0.141 0.000 0.843 647 Q CB -1.037 27.748 28.738 0.078 0.000 0.908 647 Q HN 0.481 nan 8.270 nan 0.000 0.420 648 T N 0.049 114.695 114.554 0.154 0.000 2.962 648 T HA -0.031 4.319 4.350 0.000 0.000 0.270 648 T C 1.801 176.796 174.700 0.492 0.000 1.088 648 T CA 1.120 63.369 62.100 0.248 0.000 1.127 648 T CB -0.171 68.714 68.868 0.028 0.000 0.883 648 T HN 0.237 nan 8.240 nan 0.000 0.493 649 S N 1.271 117.181 115.700 0.349 0.000 2.371 649 S HA 0.174 4.644 4.470 0.000 0.000 0.221 649 S C 2.626 177.427 174.600 0.336 0.000 1.036 649 S CA 0.608 59.042 58.200 0.390 0.000 0.965 649 S CB -0.421 62.926 63.200 0.245 0.000 0.845 649 S HN 0.555 nan 8.310 nan 0.000 0.475 650 A N 0.566 123.555 122.820 0.282 0.000 1.978 650 A HA -0.156 4.164 4.320 0.000 0.000 0.220 650 A C 1.787 179.626 177.584 0.425 0.000 1.170 650 A CA 1.334 53.516 52.037 0.241 0.000 0.636 650 A CB -1.078 18.060 19.000 0.231 0.000 0.810 650 A HN 0.720 nan 8.150 nan 0.000 0.448 651 W N -0.853 120.682 121.300 0.393 0.000 2.338 651 W HA -0.288 4.372 4.660 0.000 0.000 0.304 651 W C 2.040 178.782 176.519 0.372 0.000 1.212 651 W CA 2.080 59.735 57.345 0.516 0.000 1.264 651 W CB -0.342 29.411 29.460 0.487 0.000 1.142 651 W HN 0.479 nan 8.180 nan 0.000 0.512 652 Y N 0.048 120.668 120.300 0.533 0.000 2.200 652 Y HA -0.234 4.316 4.550 0.000 0.000 0.290 652 Y C 2.245 178.147 175.900 0.004 0.000 1.137 652 Y CA 2.484 60.657 58.100 0.121 0.000 1.163 652 Y CB -0.713 37.542 38.460 -0.341 0.000 0.988 652 Y HN -0.176 nan 8.280 nan 0.000 0.518 653 V N -0.332 119.608 119.914 0.044 0.000 2.237 653 V HA -0.303 3.817 4.120 0.000 0.000 0.245 653 V C 2.085 178.105 176.094 -0.123 0.000 1.046 653 V CA 2.059 64.243 62.300 -0.194 0.000 1.007 653 V CB -1.011 30.584 31.823 -0.379 0.000 0.638 653 V HN 0.309 nan 8.190 nan 0.000 0.445 654 F N 1.262 121.130 119.950 -0.137 0.000 2.043 654 F HA -0.229 4.298 4.527 0.000 0.000 0.297 654 F C 2.806 178.378 175.800 -0.380 0.000 1.121 654 F CA 2.203 60.033 58.000 -0.284 0.000 1.199 654 F CB -1.032 37.864 39.000 -0.175 0.000 0.968 654 F HN 0.041 nan 8.300 nan 0.000 0.478 655 S N -0.182 115.414 115.700 -0.174 0.000 2.383 655 S HA -0.215 4.255 4.470 0.000 0.000 0.229 655 S C 2.247 176.685 174.600 -0.271 0.000 1.030 655 S CA 1.040 59.048 58.200 -0.319 0.000 1.002 655 S CB -0.837 61.900 63.200 -0.772 0.000 0.829 655 S HN 0.400 nan 8.310 nan 0.000 0.467 656 A N 1.047 123.688 122.820 -0.298 0.000 2.067 656 A HA 0.075 4.395 4.320 0.000 0.000 0.219 656 A C 1.994 179.538 177.584 -0.068 0.000 1.158 656 A CA 0.885 52.788 52.037 -0.224 0.000 0.661 656 A CB -0.563 18.380 19.000 -0.094 0.000 0.801 656 A HN 0.478 nan 8.150 nan 0.000 0.452 657 L N -1.783 119.365 121.223 -0.126 0.000 2.240 657 L HA 0.124 4.464 4.340 0.000 0.000 0.211 657 L C 1.751 178.510 176.870 -0.186 0.000 1.106 657 L CA 0.790 55.509 54.840 -0.202 0.000 0.793 657 L CB -0.204 41.569 42.059 -0.476 0.000 0.927 657 L HN 0.582 nan 8.230 nan 0.000 0.446 658 G N 0.026 108.715 108.800 -0.186 0.000 2.138 658 G HA2 -0.235 3.725 3.960 0.000 0.000 0.193 658 G HA3 -0.235 3.725 3.960 0.000 0.000 0.193 658 G C -0.068 174.982 174.900 0.251 0.000 0.998 658 G CA -0.056 45.069 45.100 0.041 0.000 0.668 658 G HN 0.301 nan 8.290 nan 0.000 0.516 659 F N -2.471 117.590 119.950 0.186 0.000 2.741 659 F HA 0.808 5.335 4.527 0.000 0.000 0.311 659 F C -1.166 174.665 175.800 0.053 0.000 1.149 659 F CA -2.647 55.463 58.000 0.183 0.000 0.930 659 F CB 1.004 40.092 39.000 0.147 0.000 1.312 659 F HN 0.288 nan 8.300 nan 0.000 0.450 660 Y N 1.726 121.947 120.300 -0.132 0.000 2.479 660 Y HA 0.617 5.167 4.550 -0.000 0.000 0.338 660 Y C -2.954 172.673 175.900 -0.455 0.000 1.055 660 Y CA -2.310 55.396 58.100 -0.656 0.000 1.023 660 Y CB 3.320 40.915 38.460 -1.441 0.000 1.287 660 Y HN 0.464 nan 8.280 nan 0.000 0.447 661 P HA 0.126 nan 4.420 nan 0.000 0.241 661 P C 0.368 177.406 177.300 -0.438 0.000 1.780 661 P CA 0.120 62.834 63.100 -0.643 0.000 1.111 661 P CB 0.957 32.253 31.700 -0.674 0.000 1.852 662 V N 1.555 121.436 119.914 -0.055 0.000 2.324 662 V HA -0.207 3.913 4.120 0.000 0.000 0.250 662 V C 1.445 177.626 176.094 0.145 0.000 1.060 662 V CA 1.833 64.272 62.300 0.232 0.000 1.042 662 V CB -0.373 31.659 31.823 0.348 0.000 0.650 662 V HN 0.556 nan 8.190 nan 0.000 0.450 663 C N 2.116 121.439 119.300 0.037 0.000 2.621 663 C HA 0.510 4.970 4.460 0.000 0.000 0.272 663 C C -2.557 172.452 174.990 0.031 0.000 1.119 663 C CA -2.326 56.697 59.018 0.008 0.000 1.593 663 C CB -0.500 27.229 27.740 -0.017 0.000 1.749 663 C HN 0.295 nan 8.230 nan 0.000 0.420 664 P HA 0.308 nan 4.420 nan 0.000 0.266 664 P C 0.923 178.348 177.300 0.208 0.000 1.195 664 P CA 1.977 65.123 63.100 0.077 0.000 0.768 664 P CB 0.545 32.321 31.700 0.126 0.000 0.838 665 G N 0.899 109.748 108.800 0.081 0.000 2.313 665 G HA2 -0.210 3.750 3.960 0.000 0.000 0.215 665 G HA3 -0.210 3.750 3.960 0.000 0.000 0.215 665 G C 0.455 175.418 174.900 0.106 0.000 1.023 665 G CA 0.273 45.437 45.100 0.108 0.000 0.626 665 G HN 0.841 nan 8.290 nan 0.000 0.503 666 T N -0.348 114.273 114.554 0.113 0.000 2.788 666 T HA 0.495 4.845 4.350 0.000 0.000 0.280 666 T C 0.733 175.334 174.700 -0.165 0.000 0.984 666 T CA 0.701 62.759 62.100 -0.070 0.000 0.972 666 T CB 1.498 70.286 68.868 -0.134 0.000 1.039 666 T HN 0.469 nan 8.240 nan 0.000 0.530 667 D N -1.071 119.224 120.400 -0.174 0.000 2.525 667 D HA 0.151 4.791 4.640 0.000 0.000 0.229 667 D C -0.130 176.036 176.300 -0.223 0.000 1.202 667 D CA -0.392 53.488 54.000 -0.201 0.000 0.828 667 D CB -0.096 40.648 40.800 -0.094 0.000 1.008 667 D HN 0.701 nan 8.370 nan 0.000 0.493 668 E N 0.055 120.086 120.200 -0.283 0.000 2.204 668 E HA 0.338 4.688 4.350 0.000 0.000 0.276 668 E C -1.092 175.255 176.600 -0.421 0.000 0.974 668 E CA -0.792 55.491 56.400 -0.196 0.000 0.815 668 E CB 1.425 31.064 29.700 -0.102 0.000 1.119 668 E HN 0.141 nan 8.360 nan 0.000 0.393 669 Y N 0.956 121.299 120.300 0.072 0.000 2.356 669 Y HA 0.244 4.794 4.550 0.000 0.000 0.334 669 Y C -0.001 175.981 175.900 0.136 0.000 0.958 669 Y CA -0.962 57.163 58.100 0.040 0.000 1.196 669 Y CB 1.020 39.462 38.460 -0.031 0.000 1.137 669 Y HN 0.223 nan 8.280 nan 0.000 0.485 670 V N 4.391 124.449 119.914 0.239 0.000 2.811 670 V HA 0.062 4.182 4.120 0.000 0.000 0.302 670 V C 0.251 176.576 176.094 0.386 0.000 1.063 670 V CA -0.549 61.927 62.300 0.293 0.000 1.088 670 V CB 0.984 32.988 31.823 0.303 0.000 0.982 670 V HN 0.702 nan 8.190 nan 0.000 0.485 671 M N 3.704 123.540 119.600 0.393 0.000 2.108 671 M HA 0.551 5.031 4.480 0.000 0.000 0.354 671 M C 0.472 177.042 176.300 0.450 0.000 1.229 671 M CA 0.380 55.918 55.300 0.397 0.000 1.081 671 M CB 0.654 33.418 32.600 0.272 0.000 1.606 671 M HN 0.781 nan 8.290 nan 0.000 0.467 672 G N 1.755 110.847 108.800 0.486 0.000 3.434 672 G HA2 0.478 4.438 3.960 0.000 0.000 0.192 672 G HA3 0.478 4.438 3.960 0.000 0.000 0.192 672 G C -0.840 174.148 174.900 0.147 0.000 1.704 672 G CA -0.079 45.170 45.100 0.249 0.000 0.936 672 G HN 0.610 nan 8.290 nan 0.000 0.623 673 T N 1.494 116.094 114.554 0.077 0.000 2.993 673 T HA 0.582 4.932 4.350 0.000 0.000 0.312 673 T C -3.004 171.698 174.700 0.003 0.000 1.115 673 T CA -1.111 61.024 62.100 0.058 0.000 1.027 673 T CB 2.164 71.063 68.868 0.051 0.000 1.116 673 T HN 0.227 nan 8.240 nan 0.000 0.464 674 P HA 0.256 nan 4.420 nan 0.000 0.274 674 P C 0.292 177.531 177.300 -0.102 0.000 1.231 674 P CA -0.520 62.565 63.100 -0.025 0.000 0.790 674 P CB 1.220 32.934 31.700 0.023 0.000 0.951 675 L N 1.237 122.340 121.223 -0.200 0.000 2.463 675 L HA 0.334 4.674 4.340 0.000 0.000 0.219 675 L C 0.316 176.843 176.870 -0.571 0.000 1.088 675 L CA 0.894 55.468 54.840 -0.444 0.000 0.849 675 L CB -0.211 41.433 42.059 -0.691 0.000 1.012 675 L HN 0.173 nan 8.230 nan 0.000 0.468 676 F N -0.995 118.889 119.950 -0.109 0.000 2.541 676 F HA 0.364 4.891 4.527 -0.000 0.000 0.331 676 F C 1.511 177.281 175.800 -0.052 0.000 1.057 676 F CA -0.685 57.263 58.000 -0.088 0.000 0.975 676 F CB 0.993 39.923 39.000 -0.118 0.000 1.246 676 F HN -0.369 nan 8.300 nan 0.000 0.484 677 K N 0.112 120.619 120.400 0.179 0.000 2.155 677 K HA -0.041 4.279 4.320 0.000 0.000 0.203 677 K C 0.215 176.867 176.600 0.086 0.000 1.052 677 K CA 1.148 57.494 56.287 0.098 0.000 0.948 677 K CB 0.223 32.773 32.500 0.085 0.000 0.728 677 K HN 0.388 nan 8.250 nan 0.000 0.448 678 K N -0.229 120.232 120.400 0.101 0.000 2.501 678 K HA 0.482 4.802 4.320 0.000 0.000 0.252 678 K C -2.074 174.514 176.600 -0.020 0.000 0.934 678 K CA -0.623 55.686 56.287 0.037 0.000 0.797 678 K CB 2.174 34.686 32.500 0.020 0.000 1.270 678 K HN -0.023 nan 8.250 nan 0.000 0.431 679 A N 2.227 125.014 122.820 -0.055 0.000 2.374 679 A HA 0.593 4.913 4.320 0.000 0.000 0.305 679 A C -1.189 176.307 177.584 -0.146 0.000 1.053 679 A CA -0.617 51.331 52.037 -0.147 0.000 0.726 679 A CB 1.827 20.746 19.000 -0.135 0.000 1.229 679 A HN 0.573 nan 8.150 nan 0.000 0.431 680 T N 3.411 117.842 114.554 -0.204 0.000 2.786 680 T HA 0.520 4.870 4.350 0.000 0.000 0.283 680 T C -0.384 174.042 174.700 -0.456 0.000 0.992 680 T CA -0.193 61.731 62.100 -0.293 0.000 0.954 680 T CB 0.457 69.156 68.868 -0.282 0.000 0.934 680 T HN 0.470 nan 8.240 nan 0.000 0.440 681 L N 4.322 125.234 121.223 -0.517 0.000 2.275 681 L HA 0.429 4.769 4.340 0.000 0.000 0.288 681 L C 0.192 176.465 176.870 -0.995 0.000 1.046 681 L CA -0.898 53.516 54.840 -0.710 0.000 0.805 681 L CB 0.538 42.154 42.059 -0.739 0.000 1.193 681 L HN 0.571 nan 8.230 nan 0.000 0.426 682 H N 4.297 123.040 119.070 -0.543 0.000 2.724 682 H HA 0.287 4.843 4.556 0.000 0.000 0.278 682 H C -0.389 174.676 175.328 -0.438 0.000 1.159 682 H CA -0.519 55.275 56.048 -0.424 0.000 1.254 682 H CB 0.347 29.977 29.762 -0.220 0.000 1.412 682 H HN 0.298 nan 8.280 nan 0.000 0.488 683 F N 0.816 120.744 119.950 -0.038 0.000 2.450 683 F HA 0.035 4.562 4.527 0.000 0.000 0.339 683 F C 2.028 177.731 175.800 -0.162 0.000 1.146 683 F CA -0.336 57.577 58.000 -0.145 0.000 1.267 683 F CB 0.789 39.617 39.000 -0.286 0.000 1.178 683 F HN 0.437 nan 8.300 nan 0.000 0.585 684 E N 0.850 121.057 120.200 0.012 0.000 2.171 684 E HA -0.267 4.083 4.350 0.000 0.000 0.197 684 E C 1.565 178.124 176.600 -0.068 0.000 0.997 684 E CA 1.541 57.923 56.400 -0.030 0.000 0.810 684 E CB -0.333 29.354 29.700 -0.022 0.000 0.738 684 E HN 0.722 nan 8.360 nan 0.000 0.467 685 N N -0.734 117.866 118.700 -0.166 0.000 2.571 685 N HA -0.063 4.677 4.740 0.000 0.000 0.189 685 N C 1.215 176.684 175.510 -0.069 0.000 1.154 685 N CA 0.574 53.529 53.050 -0.157 0.000 0.907 685 N CB 0.457 38.769 38.487 -0.293 0.000 0.977 685 N HN 0.158 nan 8.380 nan 0.000 0.449 686 G N -0.096 108.692 108.800 -0.020 0.000 2.179 686 G HA2 -0.221 3.739 3.960 0.000 0.000 0.220 686 G HA3 -0.221 3.739 3.960 0.000 0.000 0.220 686 G C -0.375 174.555 174.900 0.050 0.000 0.990 686 G CA -0.373 44.735 45.100 0.013 0.000 0.646 686 G HN 0.375 nan 8.290 nan 0.000 0.517 687 N N 0.448 119.197 118.700 0.082 0.000 2.476 687 N HA 0.735 5.475 4.740 0.000 0.000 0.275 687 N C -0.409 175.209 175.510 0.179 0.000 1.190 687 N CA 0.043 53.176 53.050 0.140 0.000 0.977 687 N CB 1.565 40.142 38.487 0.151 0.000 1.200 687 N HN 0.151 nan 8.380 nan 0.000 0.515 688 S N 0.474 116.251 115.700 0.129 0.000 2.536 688 S HA 0.544 5.014 4.470 0.000 0.000 0.287 688 S C -1.191 173.423 174.600 0.024 0.000 1.101 688 S CA -0.563 57.625 58.200 -0.021 0.000 0.950 688 S CB 1.568 64.758 63.200 -0.016 0.000 1.056 688 S HN 0.372 nan 8.310 nan 0.000 0.481 689 L N 3.842 125.006 121.223 -0.098 0.000 2.325 689 L HA 0.666 5.006 4.340 0.000 0.000 0.281 689 L C -1.220 175.593 176.870 -0.094 0.000 1.004 689 L CA -0.435 54.409 54.840 0.007 0.000 0.823 689 L CB 1.425 43.577 42.059 0.155 0.000 1.236 689 L HN 0.453 nan 8.230 nan 0.000 0.415 690 V N 6.694 126.580 119.914 -0.047 0.000 2.370 690 V HA 0.419 4.539 4.120 0.000 0.000 0.279 690 V C 0.194 176.261 176.094 -0.046 0.000 1.029 690 V CA -0.360 61.905 62.300 -0.059 0.000 0.870 690 V CB 1.447 33.252 31.823 -0.030 0.000 0.984 690 V HN 0.557 nan 8.190 nan 0.000 0.451 691 I N 4.044 124.587 120.570 -0.045 0.000 2.337 691 I HA 0.331 4.501 4.170 0.000 0.000 0.285 691 I C -0.517 175.595 176.117 -0.008 0.000 1.041 691 I CA -0.240 61.043 61.300 -0.028 0.000 1.199 691 I CB 1.101 39.106 38.000 0.008 0.000 1.370 691 I HN 0.506 nan 8.210 nan 0.000 0.470 692 D N 5.979 126.375 120.400 -0.006 0.000 2.329 692 D HA 0.519 5.159 4.640 0.000 0.000 0.232 692 D C -0.153 176.156 176.300 0.016 0.000 1.088 692 D CA -0.213 53.792 54.000 0.009 0.000 0.835 692 D CB 1.723 42.529 40.800 0.010 0.000 1.078 692 D HN 0.609 nan 8.370 nan 0.000 0.495 693 A N 5.460 128.296 122.820 0.026 0.000 3.214 693 A HA 0.346 4.666 4.320 0.000 0.000 0.304 693 A C -1.658 175.942 177.584 0.027 0.000 0.969 693 A CA -0.831 51.222 52.037 0.027 0.000 0.986 693 A CB 0.609 19.627 19.000 0.029 0.000 1.073 693 A HN 0.434 nan 8.150 nan 0.000 0.487 694 P HA -0.196 nan 4.420 nan 0.000 0.217 694 P C 0.663 177.974 177.300 0.020 0.000 1.148 694 P CA 1.370 64.485 63.100 0.025 0.000 0.834 694 P CB 0.227 31.940 31.700 0.021 0.000 0.783 695 N N -0.820 117.888 118.700 0.014 0.000 2.268 695 N HA 0.016 4.756 4.740 0.000 0.000 0.204 695 N C 0.256 175.767 175.510 0.002 0.000 1.124 695 N CA -0.274 52.780 53.050 0.007 0.000 0.838 695 N CB -0.904 37.585 38.487 0.003 0.000 0.994 695 N HN -0.070 nan 8.380 nan 0.000 0.489 696 N N 0.450 119.153 118.700 0.005 0.000 2.407 696 N HA 0.000 4.740 4.740 0.000 0.000 0.250 696 N C -0.251 175.251 175.510 -0.013 0.000 1.236 696 N CA 0.482 53.528 53.050 -0.006 0.000 0.879 696 N CB 0.559 39.040 38.487 -0.010 0.000 1.088 696 N HN 0.363 nan 8.380 nan 0.000 0.450 697 S N 0.071 115.761 115.700 -0.018 0.000 2.724 697 S HA 0.291 4.761 4.470 0.000 0.000 0.278 697 S C 0.803 175.398 174.600 -0.009 0.000 1.190 697 S CA -0.286 57.902 58.200 -0.020 0.000 0.860 697 S CB 0.230 63.424 63.200 -0.011 0.000 1.206 697 S HN 0.380 nan 8.310 nan 0.000 0.507 698 T N 1.244 115.794 114.554 -0.008 0.000 2.867 698 T HA 0.042 4.392 4.350 0.000 0.000 0.268 698 T C 1.200 175.958 174.700 0.098 0.000 1.057 698 T CA 2.001 64.104 62.100 0.005 0.000 1.136 698 T CB -0.473 68.386 68.868 -0.015 0.000 0.874 698 T HN 0.652 nan 8.240 nan 0.000 0.466 699 E N 1.528 121.777 120.200 0.081 0.000 2.102 699 E HA 0.105 4.455 4.350 0.000 0.000 0.190 699 E C 0.594 177.169 176.600 -0.041 0.000 0.971 699 E CA 0.348 56.804 56.400 0.094 0.000 0.821 699 E CB -0.209 29.506 29.700 0.025 0.000 0.777 699 E HN 0.529 nan 8.360 nan 0.000 0.460 700 N N 1.248 119.916 118.700 -0.054 0.000 2.671 700 N HA 0.071 4.811 4.740 0.000 0.000 0.274 700 N C -0.564 174.889 175.510 -0.096 0.000 1.188 700 N CA -0.195 52.780 53.050 -0.124 0.000 1.065 700 N CB 0.064 38.519 38.487 -0.053 0.000 1.415 700 N HN 0.181 nan 8.380 nan 0.000 0.511 701 F N -1.532 118.317 119.950 -0.168 0.000 2.746 701 F HA 0.415 4.942 4.527 0.000 0.000 0.320 701 F C -0.471 175.177 175.800 -0.253 0.000 1.097 701 F CA -0.942 56.913 58.000 -0.243 0.000 1.195 701 F CB -0.248 38.550 39.000 -0.337 0.000 1.056 701 F HN 0.022 nan 8.300 nan 0.000 0.562 702 Y N 2.132 122.302 120.300 -0.217 0.000 2.335 702 Y HA 0.490 5.040 4.550 0.000 0.000 0.323 702 Y C 0.626 176.519 175.900 -0.011 0.000 1.224 702 Y CA -1.699 56.360 58.100 -0.067 0.000 1.241 702 Y CB 0.874 39.237 38.460 -0.161 0.000 1.235 702 Y HN -0.121 nan 8.280 nan 0.000 0.492 703 I N 2.475 123.191 120.570 0.243 0.000 2.301 703 I HA 0.038 4.208 4.170 0.000 0.000 0.292 703 I C 0.308 176.499 176.117 0.124 0.000 1.046 703 I CA 0.093 61.486 61.300 0.155 0.000 1.282 703 I CB 1.102 39.198 38.000 0.159 0.000 1.409 703 I HN 0.742 nan 8.210 nan 0.000 0.484 704 D N 4.201 124.645 120.400 0.074 0.000 2.216 704 D HA -0.040 4.600 4.640 0.000 0.000 0.208 704 D C 0.478 176.802 176.300 0.039 0.000 0.960 704 D CA 0.716 54.737 54.000 0.035 0.000 0.861 704 D CB 0.591 41.393 40.800 0.004 0.000 0.985 704 D HN 0.584 nan 8.370 nan 0.000 0.493 705 S N -1.623 114.107 115.700 0.051 0.000 2.567 705 S HA 0.572 5.042 4.470 0.000 0.000 0.270 705 S C -0.940 173.701 174.600 0.068 0.000 1.152 705 S CA -1.069 57.166 58.200 0.057 0.000 0.835 705 S CB 1.481 64.705 63.200 0.040 0.000 1.115 705 S HN 0.036 nan 8.310 nan 0.000 0.459 706 M N 1.951 121.602 119.600 0.086 0.000 2.501 706 M HA 0.642 5.122 4.480 0.000 0.000 0.293 706 M C -1.365 175.004 176.300 0.115 0.000 1.192 706 M CA -0.361 54.993 55.300 0.091 0.000 0.886 706 M CB 2.635 35.306 32.600 0.118 0.000 1.710 706 M HN 1.085 nan 8.290 nan 0.000 0.457 707 S N 1.270 117.023 115.700 0.088 0.000 2.546 707 S HA 0.708 5.178 4.470 0.000 0.000 0.274 707 S C -1.447 173.237 174.600 0.140 0.000 1.121 707 S CA -0.725 57.553 58.200 0.130 0.000 0.887 707 S CB 2.149 65.409 63.200 0.099 0.000 1.094 707 S HN 0.559 nan 8.310 nan 0.000 0.474 708 F N 2.537 122.489 119.950 0.003 0.000 2.443 708 F HA 0.479 5.006 4.527 0.000 0.000 0.369 708 F C 0.162 175.960 175.800 -0.004 0.000 1.090 708 F CA -1.465 56.509 58.000 -0.043 0.000 1.129 708 F CB -0.784 38.155 39.000 -0.101 0.000 1.367 708 F HN 0.988 nan 8.300 nan 0.000 0.465 709 N N 3.466 122.365 118.700 0.331 0.000 2.756 709 N HA -0.178 4.562 4.740 0.000 0.000 0.248 709 N C 1.011 176.574 175.510 0.088 0.000 1.062 709 N CA 0.719 53.862 53.050 0.156 0.000 0.696 709 N CB -1.031 37.501 38.487 0.075 0.000 0.946 709 N HN 1.081 nan 8.380 nan 0.000 0.548 710 G N -1.394 107.463 108.800 0.095 0.000 2.336 710 G HA2 -0.258 3.702 3.960 0.000 0.000 0.233 710 G HA3 -0.258 3.702 3.960 0.000 0.000 0.233 710 G C 0.294 175.236 174.900 0.070 0.000 1.053 710 G CA 0.280 45.420 45.100 0.066 0.000 0.625 710 G HN 1.089 nan 8.290 nan 0.000 0.511 711 A N 0.764 123.632 122.820 0.081 0.000 2.409 711 A HA 0.536 4.856 4.320 0.000 0.000 0.267 711 A C 0.279 177.936 177.584 0.122 0.000 1.127 711 A CA 0.699 52.783 52.037 0.079 0.000 0.795 711 A CB 0.297 19.330 19.000 0.054 0.000 1.061 711 A HN 0.587 nan 8.150 nan 0.000 0.502 712 D N 1.023 121.477 120.400 0.090 0.000 2.472 712 D HA -0.001 4.639 4.640 0.000 0.000 0.237 712 D C -0.159 176.225 176.300 0.140 0.000 1.141 712 D CA 1.165 55.224 54.000 0.099 0.000 0.875 712 D CB 0.169 41.002 40.800 0.056 0.000 1.192 712 D HN 0.534 nan 8.370 nan 0.000 0.450 713 H N 2.408 121.507 119.070 0.048 0.000 2.991 713 H HA 0.209 4.765 4.556 0.000 0.000 0.304 713 H C 0.018 175.357 175.328 0.017 0.000 1.040 713 H CA -0.197 55.874 56.048 0.038 0.000 1.410 713 H CB 0.869 30.673 29.762 0.070 0.000 1.529 713 H HN 0.474 nan 8.280 nan 0.000 0.509 714 T N 0.905 115.361 114.554 -0.162 0.000 3.044 714 T HA 0.239 4.589 4.350 0.000 0.000 0.260 714 T C 0.524 175.145 174.700 -0.132 0.000 1.019 714 T CA -0.425 61.634 62.100 -0.069 0.000 0.921 714 T CB 0.523 69.373 68.868 -0.030 0.000 1.053 714 T HN 0.332 nan 8.240 nan 0.000 0.533 715 K N 1.785 121.945 120.400 -0.401 0.000 2.319 715 K HA 0.241 4.561 4.320 0.000 0.000 0.265 715 K C 0.156 176.681 176.600 -0.125 0.000 1.000 715 K CA -0.027 56.042 56.287 -0.364 0.000 0.943 715 K CB 0.337 32.382 32.500 -0.757 0.000 0.950 715 K HN 0.242 nan 8.250 nan 0.000 0.485 716 N N 0.859 119.565 118.700 0.011 0.000 2.295 716 N HA 0.055 4.795 4.740 0.000 0.000 0.221 716 N C -1.270 174.382 175.510 0.235 0.000 1.129 716 N CA -0.242 52.885 53.050 0.128 0.000 0.836 716 N CB 0.116 38.661 38.487 0.096 0.000 1.040 716 N HN 0.428 nan 8.380 nan 0.000 0.494 717 Y N -2.066 118.322 120.300 0.147 0.000 2.638 717 Y HA 0.620 5.170 4.550 -0.000 0.000 0.335 717 Y C -1.808 174.227 175.900 0.225 0.000 1.155 717 Y CA -1.418 56.771 58.100 0.148 0.000 1.046 717 Y CB 1.000 39.503 38.460 0.071 0.000 1.303 717 Y HN -0.306 nan 8.280 nan 0.000 0.460 718 L N 2.432 123.791 121.223 0.227 0.000 2.354 718 L HA 0.711 5.051 4.340 0.000 0.000 0.264 718 L C -0.608 176.451 176.870 0.315 0.000 1.008 718 L CA -1.146 53.770 54.840 0.127 0.000 0.819 718 L CB 2.538 44.489 42.059 -0.181 0.000 1.339 718 L HN 0.708 nan 8.230 nan 0.000 0.420 719 R N -0.445 120.226 120.500 0.285 0.000 2.532 719 R HA 0.280 4.620 4.340 0.000 0.000 0.295 719 R C 0.341 176.762 176.300 0.201 0.000 0.968 719 R CA -0.791 55.468 56.100 0.265 0.000 0.916 719 R CB 1.816 32.261 30.300 0.242 0.000 1.124 719 R HN 0.523 nan 8.270 nan 0.000 0.463 720 H N 2.162 121.279 119.070 0.079 0.000 2.265 720 H HA -0.252 4.304 4.556 -0.000 0.000 0.293 720 H C 1.869 177.041 175.328 -0.260 0.000 1.089 720 H CA 2.610 58.613 56.048 -0.074 0.000 1.244 720 H CB 0.333 29.997 29.762 -0.163 0.000 1.355 720 H HN 0.760 nan 8.280 nan 0.000 0.485 721 E N -0.108 120.088 120.200 -0.005 0.000 2.130 721 E HA -0.254 4.096 4.350 0.000 0.000 0.196 721 E C 1.389 177.988 176.600 -0.001 0.000 0.998 721 E CA 1.741 58.142 56.400 0.001 0.000 0.806 721 E CB -0.128 29.603 29.700 0.052 0.000 0.738 721 E HN 0.588 nan 8.360 nan 0.000 0.459 722 D N 0.842 121.255 120.400 0.022 0.000 2.091 722 D HA -0.097 4.543 4.640 0.000 0.000 0.199 722 D C 2.326 178.716 176.300 0.150 0.000 0.980 722 D CA 0.956 54.983 54.000 0.044 0.000 0.831 722 D CB -0.360 40.496 40.800 0.094 0.000 0.987 722 D HN 0.255 nan 8.370 nan 0.000 0.460 723 L N 0.189 121.480 121.223 0.112 0.000 1.990 723 L HA -0.218 4.122 4.340 0.000 0.000 0.213 723 L C 2.497 179.331 176.870 -0.060 0.000 1.072 723 L CA 0.984 55.844 54.840 0.034 0.000 0.755 723 L CB -0.587 41.334 42.059 -0.231 0.000 0.889 723 L HN -0.005 nan 8.230 nan 0.000 0.432 724 F N 0.782 120.419 119.950 -0.522 0.000 2.287 724 F HA -0.210 4.317 4.527 0.000 0.000 0.301 724 F C 2.383 178.071 175.800 -0.187 0.000 1.069 724 F CA 1.153 58.809 58.000 -0.572 0.000 1.372 724 F CB -0.741 37.992 39.000 -0.444 0.000 1.056 724 F HN 0.092 nan 8.300 nan 0.000 0.523 725 K N -0.429 120.032 120.400 0.101 0.000 2.296 725 K HA 0.196 4.516 4.320 0.000 0.000 0.200 725 K C 1.296 177.972 176.600 0.128 0.000 1.048 725 K CA 0.562 56.898 56.287 0.082 0.000 0.966 725 K CB -0.313 32.205 32.500 0.030 0.000 0.754 725 K HN 0.339 nan 8.250 nan 0.000 0.466 726 G N -0.170 108.760 108.800 0.217 0.000 2.693 726 G HA2 0.005 3.965 3.960 0.000 0.000 0.226 726 G HA3 0.005 3.965 3.960 0.000 0.000 0.226 726 G C 0.280 175.319 174.900 0.231 0.000 1.354 726 G CA -0.380 44.883 45.100 0.272 0.000 0.873 726 G HN 0.629 nan 8.290 nan 0.000 0.562 727 G N -3.039 105.867 108.800 0.175 0.000 2.456 727 G HA2 0.504 4.464 3.960 0.000 0.000 0.204 727 G HA3 0.504 4.464 3.960 0.000 0.000 0.204 727 G C -0.146 174.827 174.900 0.122 0.000 1.193 727 G CA 0.655 45.844 45.100 0.148 0.000 1.220 727 G HN 2.346 nan 8.290 nan 0.000 0.565 728 T N 0.748 115.389 114.554 0.144 0.000 2.991 728 T HA 0.608 4.958 4.350 0.000 0.000 0.303 728 T C -0.338 174.396 174.700 0.056 0.000 1.015 728 T CA -0.269 61.875 62.100 0.073 0.000 1.007 728 T CB 1.449 70.355 68.868 0.062 0.000 1.034 728 T HN 0.620 nan 8.240 nan 0.000 0.446 729 I N 2.936 123.458 120.570 -0.080 0.000 2.331 729 I HA 0.428 4.598 4.170 0.000 0.000 0.292 729 I C 0.229 176.307 176.117 -0.065 0.000 0.998 729 I CA -0.683 60.516 61.300 -0.169 0.000 1.267 729 I CB 1.399 39.173 38.000 -0.376 0.000 1.386 729 I HN 0.302 nan 8.210 nan 0.000 0.476 730 K N 5.666 126.052 120.400 -0.024 0.000 2.206 730 K HA 0.640 4.960 4.320 0.000 0.000 0.264 730 K C -1.413 175.190 176.600 0.005 0.000 0.967 730 K CA -0.531 55.757 56.287 0.002 0.000 0.844 730 K CB 1.523 34.037 32.500 0.024 0.000 1.099 730 K HN 0.373 nan 8.250 nan 0.000 0.441 731 V N 3.272 123.193 119.914 0.011 0.000 2.407 731 V HA 0.162 4.282 4.120 0.000 0.000 0.291 731 V C -0.795 175.316 176.094 0.028 0.000 1.018 731 V CA -0.998 61.316 62.300 0.024 0.000 0.842 731 V CB 1.459 33.299 31.823 0.028 0.000 0.996 731 V HN 0.766 nan 8.190 nan 0.000 0.426 732 D N 5.516 125.936 120.400 0.033 0.000 2.365 732 D HA 0.349 4.989 4.640 0.000 0.000 0.237 732 D C -0.127 176.190 176.300 0.029 0.000 1.190 732 D CA -0.250 53.766 54.000 0.026 0.000 0.867 732 D CB 0.699 41.513 40.800 0.023 0.000 1.050 732 D HN 0.225 nan 8.370 nan 0.000 0.491 733 M N 1.951 121.563 119.600 0.020 0.000 2.277 733 M HA 0.338 4.818 4.480 0.000 0.000 0.350 733 M C 0.253 176.552 176.300 -0.001 0.000 1.180 733 M CA -0.561 54.749 55.300 0.016 0.000 1.103 733 M CB 0.900 33.505 32.600 0.008 0.000 1.577 733 M HN 0.379 nan 8.290 nan 0.000 0.459 734 S N 1.544 117.241 115.700 -0.005 0.000 2.570 734 S HA 0.483 4.953 4.470 0.000 0.000 0.270 734 S C -0.024 174.545 174.600 -0.051 0.000 1.149 734 S CA -0.707 57.478 58.200 -0.025 0.000 0.837 734 S CB 1.195 64.383 63.200 -0.020 0.000 1.124 734 S HN 0.736 nan 8.310 nan 0.000 0.465 735 N N 1.680 120.336 118.700 -0.073 0.000 2.280 735 N HA 0.168 4.908 4.740 0.000 0.000 0.192 735 N C -0.216 175.284 175.510 -0.017 0.000 1.109 735 N CA -0.172 52.807 53.050 -0.117 0.000 0.855 735 N CB -0.041 38.384 38.487 -0.104 0.000 0.974 735 N HN 0.398 nan 8.380 nan 0.000 0.482 736 R N 1.038 121.492 120.500 -0.077 0.000 2.599 736 R HA 0.475 4.815 4.340 0.000 0.000 0.295 736 R C -2.746 173.182 176.300 -0.619 0.000 0.963 736 R CA -1.836 54.095 56.100 -0.282 0.000 0.883 736 R CB 1.632 31.801 30.300 -0.219 0.000 1.171 736 R HN 0.109 nan 8.270 nan 0.000 0.450 737 P HA 0.002 nan 4.420 nan 0.000 0.271 737 P C -0.470 176.465 177.300 -0.609 0.000 1.216 737 P CA -0.250 62.175 63.100 -1.123 0.000 0.776 737 P CB 0.555 31.540 31.700 -1.192 0.000 0.881 738 N N 3.641 122.119 118.700 -0.371 0.000 2.469 738 N HA 0.041 4.781 4.740 0.000 0.000 0.239 738 N C 0.724 176.028 175.510 -0.344 0.000 1.053 738 N CA -0.228 52.666 53.050 -0.260 0.000 0.937 738 N CB -0.009 38.425 38.487 -0.088 0.000 1.163 738 N HN 0.123 nan 8.380 nan 0.000 0.509 739 L N 2.655 123.534 121.223 -0.572 0.000 2.551 739 L HA 0.044 4.384 4.340 0.000 0.000 0.228 739 L C 1.232 177.944 176.870 -0.264 0.000 1.153 739 L CA 0.659 54.986 54.840 -0.855 0.000 0.851 739 L CB -0.909 40.673 42.059 -0.795 0.000 0.959 739 L HN 0.528 nan 8.230 nan 0.000 0.451 740 N N -0.457 118.178 118.700 -0.107 0.000 2.322 740 N HA 0.007 4.747 4.740 0.000 0.000 0.181 740 N C 0.963 176.516 175.510 0.071 0.000 1.088 740 N CA 0.023 53.075 53.050 0.002 0.000 0.885 740 N CB 0.827 39.296 38.487 -0.031 0.000 1.013 740 N HN 0.274 nan 8.380 nan 0.000 0.472 741 R N 0.767 121.323 120.500 0.093 0.000 2.438 741 R HA 0.289 4.629 4.340 0.000 0.000 0.287 741 R C 0.423 176.822 176.300 0.165 0.000 1.077 741 R CA 0.684 56.850 56.100 0.110 0.000 1.034 741 R CB 0.231 30.592 30.300 0.101 0.000 0.993 741 R HN 0.223 nan 8.270 nan 0.000 0.459 742 G N 2.794 111.659 108.800 0.109 0.000 2.225 742 G HA2 -0.272 3.688 3.960 0.000 0.000 0.264 742 G HA3 -0.272 3.688 3.960 0.000 0.000 0.264 742 G C 0.402 175.361 174.900 0.099 0.000 1.060 742 G CA 0.618 45.775 45.100 0.095 0.000 0.833 742 G HN 0.758 nan 8.290 nan 0.000 0.498 743 T N -3.210 111.406 114.554 0.103 0.000 2.975 743 T HA 0.377 4.727 4.350 0.000 0.000 0.257 743 T C 0.974 175.713 174.700 0.065 0.000 1.003 743 T CA 0.378 62.540 62.100 0.102 0.000 0.932 743 T CB 0.727 69.684 68.868 0.148 0.000 1.087 743 T HN 0.484 nan 8.240 nan 0.000 0.512 744 K N 1.926 122.356 120.400 0.050 0.000 2.258 744 K HA 0.187 4.507 4.320 0.000 0.000 0.264 744 K C 1.292 177.909 176.600 0.030 0.000 1.007 744 K CA -0.414 55.894 56.287 0.035 0.000 0.941 744 K CB 0.758 33.272 32.500 0.024 0.000 0.966 744 K HN -0.050 nan 8.250 nan 0.000 0.480 745 E N 2.680 122.894 120.200 0.024 0.000 2.160 745 E HA -0.229 4.121 4.350 0.000 0.000 0.195 745 E C 0.986 177.602 176.600 0.026 0.000 0.991 745 E CA 1.623 58.033 56.400 0.018 0.000 0.810 745 E CB 0.236 29.942 29.700 0.010 0.000 0.742 745 E HN 0.690 nan 8.360 nan 0.000 0.466 746 E N -0.329 119.890 120.200 0.032 0.000 2.482 746 E HA -0.097 4.253 4.350 0.000 0.000 0.196 746 E C 1.007 177.655 176.600 0.080 0.000 1.047 746 E CA 0.720 57.150 56.400 0.050 0.000 0.869 746 E CB 0.063 29.784 29.700 0.035 0.000 0.836 746 E HN 0.080 nan 8.360 nan 0.000 0.520 747 D N 0.477 120.912 120.400 0.058 0.000 2.333 747 D HA 0.022 4.662 4.640 0.000 0.000 0.208 747 D C 0.337 176.722 176.300 0.142 0.000 0.984 747 D CA 0.442 54.478 54.000 0.060 0.000 0.873 747 D CB 0.160 40.972 40.800 0.020 0.000 0.935 747 D HN 0.201 nan 8.370 nan 0.000 0.521 748 M N 2.074 121.723 119.600 0.081 0.000 2.200 748 M HA 0.239 4.719 4.480 0.000 0.000 0.355 748 M C -2.092 174.154 176.300 -0.089 0.000 1.283 748 M CA -2.176 53.104 55.300 -0.033 0.000 1.124 748 M CB 0.051 32.618 32.600 -0.055 0.000 1.625 748 M HN -0.253 nan 8.290 nan 0.000 0.463 749 P HA 0.006 nan 4.420 nan 0.000 0.272 749 P C -0.660 176.535 177.300 -0.175 0.000 1.254 749 P CA -0.260 62.565 63.100 -0.459 0.000 0.795 749 P CB 0.242 31.647 31.700 -0.491 0.000 1.022 750 Y N 0.097 120.282 120.300 -0.192 0.000 2.578 750 Y HA 0.228 4.778 4.550 0.000 0.000 0.339 750 Y C 0.036 175.985 175.900 0.083 0.000 1.231 750 Y CA 1.045 59.123 58.100 -0.036 0.000 1.461 750 Y CB 0.390 38.846 38.460 -0.008 0.000 1.323 750 Y HN 0.185 nan 8.280 nan 0.000 0.590 751 S N 6.769 122.069 115.700 -0.667 0.000 2.720 751 S HA 0.150 4.620 4.470 0.000 0.000 0.278 751 S C 0.035 174.277 174.600 -0.597 0.000 1.172 751 S CA -0.829 57.087 58.200 -0.474 0.000 1.019 751 S CB 0.297 63.372 63.200 -0.207 0.000 1.049 751 S HN 0.751 nan 8.310 nan 0.000 0.483 752 F N 3.630 123.265 119.950 -0.525 0.000 2.115 752 F HA -0.165 4.362 4.527 0.000 0.000 0.300 752 F C 2.343 178.048 175.800 -0.159 0.000 1.092 752 F CA 2.158 60.050 58.000 -0.180 0.000 1.245 752 F CB -0.582 38.482 39.000 0.107 0.000 0.995 752 F HN 0.576 nan 8.300 nan 0.000 0.481 753 S N -0.060 115.514 115.700 -0.210 0.000 2.365 753 S HA -0.245 4.225 4.470 0.000 0.000 0.225 753 S C 1.980 176.420 174.600 -0.266 0.000 1.039 753 S CA 1.677 59.715 58.200 -0.269 0.000 1.033 753 S CB -0.267 62.834 63.200 -0.166 0.000 0.887 753 S HN 0.431 nan 8.310 nan 0.000 0.447 754 K N 1.028 121.288 120.400 -0.232 0.000 2.097 754 K HA -0.036 4.284 4.320 0.000 0.000 0.206 754 K C 0.675 177.169 176.600 -0.175 0.000 1.049 754 K CA 0.633 56.807 56.287 -0.189 0.000 0.933 754 K CB -0.114 32.288 32.500 -0.164 0.000 0.717 754 K HN 0.392 nan 8.250 nan 0.000 0.442 755 E N 1.613 121.707 120.200 -0.176 0.000 2.037 755 E HA -0.013 4.337 4.350 0.000 0.000 0.253 755 E C -0.827 175.680 176.600 -0.155 0.000 1.265 755 E CA 0.173 56.547 56.400 -0.043 0.000 0.972 755 E CB -0.286 29.534 29.700 0.201 0.000 1.054 755 E HN 0.114 nan 8.360 nan 0.000 0.432 756 L N 0.200 121.314 121.223 -0.180 0.000 2.506 756 L HA 0.474 4.814 4.340 0.000 0.000 0.257 756 L C -0.563 176.084 176.870 -0.371 0.000 0.964 756 L CA -0.622 53.996 54.840 -0.371 0.000 0.836 756 L CB 1.860 43.647 42.059 -0.454 0.000 1.384 756 L HN 0.309 nan 8.230 nan 0.000 0.410 757 E N 0.304 120.162 120.200 -0.570 0.000 3.035 757 E HA -0.118 4.232 4.350 0.000 0.000 0.340 757 E C -1.094 175.263 176.600 -0.406 0.000 0.886 757 E CA 0.291 56.493 56.400 -0.329 0.000 1.122 757 E CB -1.636 27.950 29.700 -0.190 0.000 1.494 757 E HN 1.004 nan 8.360 nan 0.000 0.391 758 H N 0.266 119.177 119.070 -0.265 0.000 3.204 758 H HA -0.091 4.465 4.556 -0.000 0.000 0.232 758 H C 1.084 176.299 175.328 -0.188 0.000 0.773 758 H CA 0.945 56.851 56.048 -0.237 0.000 1.408 758 H CB -0.132 29.244 29.762 -0.643 0.000 1.458 758 H HN 0.291 nan 8.280 nan 0.000 0.488 759 H N 2.762 121.968 119.070 0.228 0.000 2.548 759 H HA -0.070 4.486 4.556 0.000 0.000 0.268 759 H C 1.506 177.024 175.328 0.317 0.000 0.975 759 H CA 1.002 57.218 56.048 0.281 0.000 1.195 759 H CB 0.349 30.358 29.762 0.411 0.000 1.397 759 H HN 0.859 nan 8.280 nan 0.000 0.572 760 H N -0.669 118.513 119.070 0.187 0.000 2.548 760 H HA 0.008 4.564 4.556 -0.000 0.000 0.268 760 H C 0.422 175.898 175.328 0.246 0.000 0.975 760 H CA 0.002 56.169 56.048 0.197 0.000 1.195 760 H CB -0.510 29.344 29.762 0.154 0.000 1.397 760 H HN 0.220 nan 8.280 nan 0.000 0.572 761 H N 0.000 118.925 119.070 -0.242 0.000 2.539 761 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 761 H CA 0.000 55.892 56.048 -0.260 0.000 1.023 761 H CB 0.000 29.607 29.762 -0.259 0.000 1.292 761 H HN 0.000 nan 8.280 nan 0.000 0.496