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 2ww0_1_E DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL MGSQSTFELS TGNTYPAIAR PWGMNFWTPQ TGKMGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIMP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE MTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANMNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY MFTDTGFWDT FRCLFPLLNL MYPSVNKEMQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCMVGNNS ASILVDAYMK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAMNYK NLFDKESKLM RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLMGGKEM FVTMMDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREM TVMNMGNYAH GNQPIQHMIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVMD RMYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VMGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSMSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDMSNRPNL NRGTKEEDMP YSFSKE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 175.924 176.600 -1.126 0.000 0.988 20 K CA 0.000 55.857 56.287 -0.716 0.000 0.838 20 K CB 0.000 32.168 32.500 -0.554 0.000 1.064 21 D N 0.375 120.258 120.400 -0.862 0.000 2.396 21 D HA 0.306 4.947 4.640 0.001 0.000 0.225 21 D C 0.147 176.033 176.300 -0.690 0.000 1.121 21 D CA -0.558 53.081 54.000 -0.601 0.000 0.853 21 D CB -0.007 40.569 40.800 -0.373 0.000 1.043 21 D HN 0.512 nan 8.370 nan 0.000 0.500 22 W N 2.435 123.602 121.300 -0.222 0.000 3.003 22 W HA -0.059 4.601 4.660 0.001 0.000 0.257 22 W C 1.830 178.196 176.519 -0.255 0.000 1.308 22 W CA 0.781 57.926 57.345 -0.333 0.000 1.529 22 W CB -0.495 28.633 29.460 -0.552 0.000 1.115 22 W HN 0.508 nan 8.180 nan 0.000 0.659 23 T N -0.595 113.966 114.554 0.012 0.000 2.881 23 T HA -0.298 4.053 4.350 0.001 0.000 0.270 23 T C 1.670 176.325 174.700 -0.075 0.000 1.068 23 T CA 1.646 63.757 62.100 0.018 0.000 1.131 23 T CB -0.482 68.465 68.868 0.131 0.000 0.871 23 T HN 0.393 nan 8.240 nan 0.000 0.479 24 Q N -0.087 119.572 119.800 -0.235 0.000 2.297 24 Q HA -0.137 4.204 4.340 0.001 0.000 0.208 24 Q C 1.349 177.192 176.000 -0.263 0.000 0.981 24 Q CA 1.327 56.943 55.803 -0.312 0.000 0.876 24 Q CB -0.756 27.674 28.738 -0.513 0.000 0.921 24 Q HN 0.626 nan 8.270 nan 0.000 0.446 25 Y N 0.437 120.762 120.300 0.042 0.000 2.500 25 Y HA 0.227 4.778 4.550 0.001 0.000 0.270 25 Y C 0.591 176.564 175.900 0.121 0.000 1.134 25 Y CA -0.685 57.501 58.100 0.144 0.000 1.293 25 Y CB 0.621 39.264 38.460 0.304 0.000 1.063 25 Y HN -0.114 nan 8.280 nan 0.000 0.534 26 V N 2.371 122.362 119.914 0.129 0.000 2.455 26 V HA 0.072 4.192 4.120 0.001 0.000 0.273 26 V C -0.112 175.910 176.094 -0.119 0.000 1.045 26 V CA -0.523 61.758 62.300 -0.031 0.000 0.976 26 V CB 0.672 32.313 31.823 -0.303 0.000 0.993 26 V HN 0.240 nan 8.190 nan 0.000 0.475 27 N N 7.335 125.998 118.700 -0.062 0.000 2.621 27 N HA 0.403 5.144 4.740 0.001 0.000 0.237 27 N C -2.000 173.474 175.510 -0.060 0.000 0.997 27 N CA -2.222 50.797 53.050 -0.051 0.000 0.918 27 N CB 2.008 40.507 38.487 0.020 0.000 1.122 27 N HN 0.203 nan 8.380 nan 0.000 0.510 28 P HA 0.029 nan 4.420 nan 0.000 0.234 28 P C 0.756 178.087 177.300 0.053 0.000 1.167 28 P CA 0.758 63.818 63.100 -0.067 0.000 0.763 28 P CB 0.305 31.898 31.700 -0.179 0.000 0.835 29 L N -2.292 118.974 121.223 0.072 0.000 2.567 29 L HA 0.197 4.538 4.340 0.001 0.000 0.225 29 L C 1.331 178.281 176.870 0.134 0.000 1.119 29 L CA -0.154 54.774 54.840 0.146 0.000 0.871 29 L CB -0.356 41.829 42.059 0.210 0.000 1.036 29 L HN 0.087 nan 8.230 nan 0.000 0.459 30 M N 0.925 120.590 119.600 0.109 0.000 2.356 30 M HA 0.168 4.648 4.480 0.001 0.000 0.348 30 M C 1.016 177.456 176.300 0.234 0.000 1.595 30 M CA 1.203 56.566 55.300 0.105 0.000 1.095 30 M CB 0.182 32.821 32.600 0.065 0.000 1.963 30 M HN 0.277 nan 8.290 nan 0.000 0.459 31 G N 2.270 111.205 108.800 0.225 0.000 2.176 31 G HA2 -0.270 3.691 3.960 0.001 0.000 0.232 31 G HA3 -0.270 3.691 3.960 0.001 0.000 0.232 31 G C 0.543 175.584 174.900 0.234 0.000 0.986 31 G CA 0.506 45.788 45.100 0.303 0.000 0.643 31 G HN 0.881 nan 8.290 nan 0.000 0.522 32 S N -0.930 114.918 115.700 0.246 0.000 2.528 32 S HA 0.228 4.698 4.470 0.001 0.000 0.219 32 S C 1.114 175.915 174.600 0.335 0.000 0.985 32 S CA 1.012 59.425 58.200 0.355 0.000 0.914 32 S CB 0.261 63.784 63.200 0.539 0.000 0.776 32 S HN 0.515 nan 8.310 nan 0.000 0.526 33 Q N 2.056 121.985 119.800 0.214 0.000 3.207 33 Q HA 0.372 4.712 4.340 0.001 0.000 0.335 33 Q C -1.000 175.092 176.000 0.153 0.000 1.374 33 Q CA -0.313 55.595 55.803 0.176 0.000 1.023 33 Q CB 0.013 28.773 28.738 0.037 0.000 1.576 33 Q HN 0.417 nan 8.270 nan 0.000 0.515 34 S N -0.141 115.680 115.700 0.202 0.000 2.607 34 S HA 0.671 5.142 4.470 0.001 0.000 0.303 34 S C -0.264 174.428 174.600 0.152 0.000 1.086 34 S CA -0.726 57.588 58.200 0.190 0.000 0.995 34 S CB 1.918 65.271 63.200 0.254 0.000 1.084 34 S HN 0.519 nan 8.310 nan 0.000 0.507 35 T N -1.581 113.019 114.554 0.076 0.000 2.887 35 T HA 0.538 4.889 4.350 0.001 0.000 0.292 35 T C 0.548 175.213 174.700 -0.058 0.000 1.087 35 T CA -0.783 61.271 62.100 -0.077 0.000 1.009 35 T CB 0.580 69.416 68.868 -0.053 0.000 1.203 35 T HN 0.340 nan 8.240 nan 0.000 0.518 36 F N 1.367 121.074 119.950 -0.405 0.000 2.154 36 F HA -0.077 4.451 4.527 0.001 0.000 0.301 36 F C 2.007 177.832 175.800 0.042 0.000 1.087 36 F CA 1.899 59.765 58.000 -0.223 0.000 1.274 36 F CB -0.135 38.658 39.000 -0.344 0.000 1.009 36 F HN 0.701 nan 8.300 nan 0.000 0.485 37 E N -0.268 120.001 120.200 0.115 0.000 2.230 37 E HA 0.136 4.487 4.350 0.001 0.000 0.192 37 E C -0.399 176.235 176.600 0.057 0.000 0.987 37 E CA 0.521 56.975 56.400 0.090 0.000 0.841 37 E CB 0.235 30.004 29.700 0.114 0.000 0.783 37 E HN 0.268 nan 8.360 nan 0.000 0.481 38 L N -0.067 121.188 121.223 0.054 0.000 2.482 38 L HA 0.376 4.716 4.340 0.001 0.000 0.269 38 L C -1.013 175.904 176.870 0.079 0.000 0.967 38 L CA -0.443 54.439 54.840 0.069 0.000 0.851 38 L CB 2.068 44.154 42.059 0.045 0.000 1.242 38 L HN -0.189 nan 8.230 nan 0.000 0.404 39 S N 1.478 117.246 115.700 0.113 0.000 2.513 39 S HA 0.468 4.938 4.470 0.001 0.000 0.276 39 S C 0.766 175.441 174.600 0.126 0.000 1.254 39 S CA 0.224 58.496 58.200 0.120 0.000 1.053 39 S CB 0.675 63.954 63.200 0.131 0.000 0.958 39 S HN 0.754 nan 8.310 nan 0.000 0.491 40 T N 1.268 115.903 114.554 0.135 0.000 3.228 40 T HA 0.557 4.907 4.350 0.001 0.000 0.278 40 T C 1.041 175.878 174.700 0.228 0.000 1.014 40 T CA 0.192 62.379 62.100 0.145 0.000 0.904 40 T CB 0.197 69.129 68.868 0.106 0.000 1.110 40 T HN 1.047 nan 8.240 nan 0.000 0.541 41 G N 1.485 110.387 108.800 0.170 0.000 3.505 41 G HA2 -0.121 3.840 3.960 0.001 0.000 0.210 41 G HA3 -0.121 3.840 3.960 0.001 0.000 0.210 41 G C 0.122 175.030 174.900 0.013 0.000 1.047 41 G CA -0.210 44.927 45.100 0.061 0.000 0.884 41 G HN 0.351 nan 8.290 nan 0.000 0.434 42 N N 1.466 120.222 118.700 0.092 0.000 2.727 42 N HA -0.139 4.601 4.740 0.001 0.000 0.251 42 N C 0.328 175.826 175.510 -0.020 0.000 1.040 42 N CA 1.910 54.982 53.050 0.037 0.000 0.712 42 N CB -1.569 36.907 38.487 -0.020 0.000 0.912 42 N HN 1.365 nan 8.380 nan 0.000 0.545 43 T N -2.573 112.010 114.554 0.049 0.000 2.949 43 T HA 0.790 5.140 4.350 0.001 0.000 0.287 43 T C -0.065 174.712 174.700 0.129 0.000 1.034 43 T CA -0.757 61.344 62.100 0.001 0.000 1.018 43 T CB 2.150 71.015 68.868 -0.006 0.000 1.135 43 T HN 0.239 nan 8.240 nan 0.000 0.532 44 Y N -2.300 118.055 120.300 0.092 0.000 2.602 44 Y HA 0.767 5.317 4.550 0.001 0.000 0.342 44 Y C -3.118 172.772 175.900 -0.016 0.000 1.029 44 Y CA -3.609 54.531 58.100 0.066 0.000 1.080 44 Y CB 0.262 38.758 38.460 0.060 0.000 1.284 44 Y HN 0.361 nan 8.280 nan 0.000 0.485 45 P HA 0.241 nan 4.420 nan 0.000 0.271 45 P C -0.754 176.565 177.300 0.033 0.000 1.380 45 P CA 0.078 63.128 63.100 -0.082 0.000 0.992 45 P CB 0.196 31.714 31.700 -0.303 0.000 1.230 46 A N 5.868 128.678 122.820 -0.016 0.000 2.437 46 A HA 0.280 4.601 4.320 0.001 0.000 0.303 46 A C 0.267 177.805 177.584 -0.078 0.000 1.324 46 A CA -0.287 51.710 52.037 -0.066 0.000 0.983 46 A CB -0.614 18.120 19.000 -0.443 0.000 1.142 46 A HN 0.352 nan 8.150 nan 0.000 0.541 47 I N 2.353 122.913 120.570 -0.018 0.000 2.291 47 I HA 0.557 4.727 4.170 0.001 0.000 0.292 47 I C 0.576 176.742 176.117 0.082 0.000 1.064 47 I CA 0.133 61.435 61.300 0.003 0.000 1.269 47 I CB -0.350 37.650 38.000 -0.001 0.000 1.418 47 I HN 0.689 nan 8.210 nan 0.000 0.485 48 A N 7.203 130.093 122.820 0.116 0.000 2.586 48 A HA 0.732 5.052 4.320 0.001 0.000 0.290 48 A C -0.455 177.372 177.584 0.405 0.000 1.086 48 A CA -0.869 51.278 52.037 0.183 0.000 0.665 48 A CB 1.694 20.580 19.000 -0.190 0.000 1.279 48 A HN 0.446 nan 8.150 nan 0.000 0.423 49 R N -0.076 120.594 120.500 0.282 0.000 2.577 49 R HA 0.461 4.801 4.340 0.001 0.000 0.269 49 R C -2.628 173.601 176.300 -0.118 0.000 1.084 49 R CA -2.024 54.131 56.100 0.091 0.000 1.163 49 R CB -0.351 29.981 30.300 0.054 0.000 1.100 49 R HN 0.410 nan 8.270 nan 0.000 0.547 50 P HA -0.122 nan 4.420 nan 0.000 0.260 50 P C -0.306 176.865 177.300 -0.215 0.000 1.172 50 P CA 0.512 63.051 63.100 -0.936 0.000 0.760 50 P CB 0.174 31.137 31.700 -1.227 0.000 0.773 51 W N 0.390 121.710 121.300 0.032 0.000 4.233 51 W HA -0.154 4.507 4.660 0.001 0.000 0.328 51 W C 0.712 177.358 176.519 0.212 0.000 1.212 51 W CA 0.908 58.349 57.345 0.161 0.000 0.752 51 W CB -2.427 27.148 29.460 0.193 0.000 2.277 51 W HN 0.471 nan 8.180 nan 0.000 1.465 52 G N 0.838 109.907 108.800 0.449 0.000 2.484 52 G HA2 0.220 4.181 3.960 0.001 0.000 0.235 52 G HA3 0.220 4.181 3.960 0.001 0.000 0.235 52 G C 0.812 175.894 174.900 0.305 0.000 1.282 52 G CA 0.248 45.585 45.100 0.395 0.000 0.857 52 G HN 0.261 nan 8.290 nan 0.000 0.571 53 M N 1.436 121.147 119.600 0.184 0.000 2.175 53 M HA 0.011 4.492 4.480 0.001 0.000 0.264 53 M C 0.071 176.505 176.300 0.224 0.000 1.063 53 M CA 1.014 56.412 55.300 0.163 0.000 1.119 53 M CB 0.034 32.701 32.600 0.112 0.000 1.377 53 M HN 0.402 nan 8.290 nan 0.000 0.415 54 N N 0.330 119.148 118.700 0.197 0.000 2.372 54 N HA 0.292 5.033 4.740 0.001 0.000 0.285 54 N C -1.561 174.050 175.510 0.169 0.000 1.008 54 N CA -0.312 52.751 53.050 0.022 0.000 0.880 54 N CB 1.204 39.749 38.487 0.096 0.000 1.239 54 N HN -0.002 nan 8.380 nan 0.000 0.484 55 F N 0.614 120.395 119.950 -0.283 0.000 2.399 55 F HA 0.481 5.009 4.527 0.001 0.000 0.328 55 F C 0.088 175.659 175.800 -0.382 0.000 1.084 55 F CA -1.236 56.680 58.000 -0.139 0.000 1.053 55 F CB 0.619 39.602 39.000 -0.029 0.000 1.209 55 F HN 0.300 nan 8.300 nan 0.000 0.502 56 W N 0.367 121.735 121.300 0.113 0.000 2.736 56 W HA 0.574 5.235 4.660 0.001 0.000 0.335 56 W C -0.228 176.265 176.519 -0.043 0.000 1.059 56 W CA -0.575 56.766 57.345 -0.006 0.000 1.226 56 W CB 2.131 31.578 29.460 -0.021 0.000 1.416 56 W HN 0.408 nan 8.180 nan 0.000 0.505 57 T N 3.746 118.360 114.554 0.101 0.000 2.923 57 T HA 0.496 4.846 4.350 0.001 0.000 0.311 57 T C -2.836 171.798 174.700 -0.111 0.000 1.183 57 T CA -2.255 59.802 62.100 -0.072 0.000 1.020 57 T CB 1.456 70.265 68.868 -0.099 0.000 1.165 57 T HN 0.074 nan 8.240 nan 0.000 0.482 58 P HA 0.151 nan 4.420 nan 0.000 0.268 58 P C -1.178 176.054 177.300 -0.114 0.000 1.205 58 P CA -0.109 62.812 63.100 -0.298 0.000 0.771 58 P CB 0.452 31.970 31.700 -0.304 0.000 0.858 59 Q N 1.600 121.272 119.800 -0.213 0.000 2.368 59 Q HA 0.280 4.620 4.340 0.001 0.000 0.263 59 Q C 0.637 176.557 176.000 -0.133 0.000 1.009 59 Q CA -0.391 55.347 55.803 -0.109 0.000 0.818 59 Q CB 0.984 29.656 28.738 -0.111 0.000 1.239 59 Q HN 0.518 nan 8.270 nan 0.000 0.464 60 T N -0.087 114.420 114.554 -0.078 0.000 3.033 60 T HA 0.239 4.589 4.350 0.001 0.000 0.248 60 T C 0.959 175.600 174.700 -0.098 0.000 1.040 60 T CA 0.432 62.454 62.100 -0.131 0.000 1.133 60 T CB 0.049 68.798 68.868 -0.198 0.000 0.895 60 T HN 0.532 nan 8.240 nan 0.000 0.465 61 G N 1.548 110.319 108.800 -0.049 0.000 2.636 61 G HA2 0.414 4.375 3.960 0.001 0.000 0.246 61 G HA3 0.414 4.375 3.960 0.001 0.000 0.246 61 G C -0.522 174.345 174.900 -0.056 0.000 1.216 61 G CA -0.736 44.347 45.100 -0.029 0.000 0.854 61 G HN 0.481 nan 8.290 nan 0.000 0.572 62 K N 0.252 120.617 120.400 -0.059 0.000 2.168 62 K HA 0.152 4.473 4.320 0.001 0.000 0.258 62 K C 0.822 177.365 176.600 -0.094 0.000 1.010 62 K CA -0.434 55.800 56.287 -0.089 0.000 0.929 62 K CB 0.979 33.430 32.500 -0.082 0.000 0.998 62 K HN 0.556 nan 8.250 nan 0.000 0.479 63 M N 1.512 121.005 119.600 -0.179 0.000 2.286 63 M HA -0.097 4.384 4.480 0.001 0.000 0.365 63 M C 0.650 176.883 176.300 -0.111 0.000 1.443 63 M CA 1.969 57.109 55.300 -0.266 0.000 0.951 63 M CB -0.351 31.892 32.600 -0.594 0.000 1.961 63 M HN 0.979 nan 8.290 nan 0.000 0.468 64 G N 3.161 111.961 108.800 0.000 0.000 2.232 64 G HA2 -0.224 3.737 3.960 0.001 0.000 0.226 64 G HA3 -0.224 3.737 3.960 0.001 0.000 0.226 64 G C -0.202 174.722 174.900 0.040 0.000 0.996 64 G CA 0.142 45.264 45.100 0.036 0.000 0.626 64 G HN 0.786 nan 8.290 nan 0.000 0.509 65 D N 1.321 121.742 120.400 0.036 0.000 2.317 65 D HA 0.470 5.111 4.640 0.001 0.000 0.252 65 D C 1.739 178.081 176.300 0.070 0.000 1.174 65 D CA 0.651 54.698 54.000 0.079 0.000 0.866 65 D CB 0.785 41.634 40.800 0.082 0.000 1.127 65 D HN 0.224 nan 8.370 nan 0.000 0.467 66 G N 3.893 112.727 108.800 0.057 0.000 2.475 66 G HA2 -0.244 3.717 3.960 0.001 0.000 0.220 66 G HA3 -0.244 3.717 3.960 0.001 0.000 0.220 66 G C 0.707 175.415 174.900 -0.320 0.000 1.125 66 G CA 0.032 45.005 45.100 -0.211 0.000 0.755 66 G HN 0.595 nan 8.290 nan 0.000 0.565 67 W N 2.212 123.450 121.300 -0.103 0.000 2.072 67 W HA 0.235 4.896 4.660 0.001 0.000 0.413 67 W C 1.422 177.924 176.519 -0.028 0.000 0.865 67 W CA -0.361 56.949 57.345 -0.058 0.000 1.579 67 W CB -0.051 29.368 29.460 -0.069 0.000 1.720 67 W HN 0.541 nan 8.180 nan 0.000 0.301 68 Q N 1.314 121.154 119.800 0.067 0.000 2.331 68 Q HA -0.121 4.219 4.340 0.001 0.000 0.203 68 Q C -0.038 176.028 176.000 0.110 0.000 0.944 68 Q CA 1.016 56.836 55.803 0.028 0.000 0.892 68 Q CB 0.214 28.888 28.738 -0.107 0.000 0.983 68 Q HN 0.399 nan 8.270 nan 0.000 0.482 69 Y N 1.516 121.853 120.300 0.062 0.000 2.354 69 Y HA 0.368 4.919 4.550 0.001 0.000 0.330 69 Y C -1.338 174.685 175.900 0.205 0.000 1.011 69 Y CA -0.654 57.513 58.100 0.111 0.000 1.099 69 Y CB 2.066 40.596 38.460 0.117 0.000 1.179 69 Y HN 0.084 nan 8.280 nan 0.000 0.442 70 T N 2.006 116.472 114.554 -0.146 0.000 2.861 70 T HA 0.175 4.525 4.350 0.001 0.000 0.287 70 T C 0.150 174.810 174.700 -0.066 0.000 1.003 70 T CA -0.578 61.548 62.100 0.043 0.000 0.977 70 T CB 1.168 70.092 68.868 0.092 0.000 0.996 70 T HN 0.745 nan 8.240 nan 0.000 0.448 71 Y N 3.087 123.436 120.300 0.080 0.000 2.333 71 Y HA -0.091 4.459 4.550 0.001 0.000 0.290 71 Y C 2.409 178.422 175.900 0.189 0.000 1.144 71 Y CA 2.129 60.328 58.100 0.166 0.000 1.228 71 Y CB -0.124 38.403 38.460 0.111 0.000 0.985 71 Y HN 0.862 nan 8.280 nan 0.000 0.542 72 T N -1.722 112.912 114.554 0.132 0.000 3.144 72 T HA 0.469 4.820 4.350 0.001 0.000 0.249 72 T C 0.653 175.284 174.700 -0.115 0.000 1.089 72 T CA 0.108 62.227 62.100 0.032 0.000 0.989 72 T CB -0.434 68.472 68.868 0.064 0.000 0.992 72 T HN 0.323 nan 8.240 nan 0.000 0.540 73 A N 1.678 124.397 122.820 -0.167 0.000 2.371 73 A HA 0.498 4.819 4.320 0.001 0.000 0.257 73 A C 1.098 178.456 177.584 -0.375 0.000 1.089 73 A CA -0.683 51.215 52.037 -0.233 0.000 0.794 73 A CB 0.298 19.178 19.000 -0.200 0.000 1.029 73 A HN 0.261 nan 8.150 nan 0.000 0.488 74 N N 0.240 118.641 118.700 -0.499 0.000 2.409 74 N HA 0.051 4.792 4.740 0.001 0.000 0.174 74 N C -0.197 174.903 175.510 -0.683 0.000 1.037 74 N CA 0.906 53.430 53.050 -0.877 0.000 0.898 74 N CB 0.214 37.794 38.487 -1.512 0.000 1.010 74 N HN 0.630 nan 8.380 nan 0.000 0.445 75 K N 0.402 120.595 120.400 -0.345 0.000 2.375 75 K HA 0.504 4.825 4.320 0.001 0.000 0.249 75 K C -0.692 175.884 176.600 -0.040 0.000 0.942 75 K CA -0.570 55.625 56.287 -0.154 0.000 0.806 75 K CB 2.639 34.966 32.500 -0.290 0.000 1.227 75 K HN -0.161 nan 8.250 nan 0.000 0.430 76 I N 2.685 123.199 120.570 -0.093 0.000 2.377 76 I HA 0.276 4.447 4.170 0.001 0.000 0.293 76 I C 1.228 177.214 176.117 -0.218 0.000 0.987 76 I CA -0.399 60.737 61.300 -0.274 0.000 1.185 76 I CB 1.322 39.020 38.000 -0.504 0.000 1.341 76 I HN 0.677 nan 8.210 nan 0.000 0.455 77 R N 4.231 124.592 120.500 -0.231 0.000 2.476 77 R HA 0.520 4.861 4.340 0.001 0.000 0.276 77 R C 0.127 176.319 176.300 -0.180 0.000 0.941 77 R CA -0.169 55.829 56.100 -0.170 0.000 1.088 77 R CB 0.982 31.192 30.300 -0.149 0.000 1.216 77 R HN 0.733 nan 8.270 nan 0.000 0.533 78 G N 0.563 109.187 108.800 -0.293 0.000 2.338 78 G HA2 0.368 4.329 3.960 0.001 0.000 0.295 78 G HA3 0.368 4.329 3.960 0.001 0.000 0.295 78 G C -1.935 172.697 174.900 -0.447 0.000 1.461 78 G CA -0.934 44.033 45.100 -0.221 0.000 0.817 78 G HN 0.035 nan 8.290 nan 0.000 0.556 79 F N 1.118 121.129 119.950 0.102 0.000 2.402 79 F HA 0.614 5.141 4.527 0.001 0.000 0.355 79 F C 0.559 176.500 175.800 0.235 0.000 1.123 79 F CA -0.671 57.458 58.000 0.216 0.000 1.021 79 F CB 2.304 41.561 39.000 0.428 0.000 1.160 79 F HN 0.383 nan 8.300 nan 0.000 0.451 80 K N 3.083 123.591 120.400 0.179 0.000 2.164 80 K HA 0.336 4.656 4.320 0.001 0.000 0.258 80 K C -0.769 175.454 176.600 -0.629 0.000 0.951 80 K CA -0.700 55.470 56.287 -0.194 0.000 0.844 80 K CB 1.542 33.913 32.500 -0.215 0.000 1.099 80 K HN 0.684 nan 8.250 nan 0.000 0.435 81 Q N 2.501 121.438 119.800 -1.439 0.000 2.279 81 Q HA 0.145 4.486 4.340 0.001 0.000 0.256 81 Q C -1.251 174.099 176.000 -1.084 0.000 0.937 81 Q CA 0.009 54.672 55.803 -1.900 0.000 0.933 81 Q CB 1.469 28.865 28.738 -2.236 0.000 1.189 81 Q HN 0.666 nan 8.270 nan 0.000 0.417 82 T N 2.241 116.246 114.554 -0.916 0.000 2.906 82 T HA 0.416 4.767 4.350 0.001 0.000 0.295 82 T C -0.752 173.470 174.700 -0.797 0.000 1.061 82 T CA -0.414 61.290 62.100 -0.660 0.000 1.000 82 T CB 0.951 69.522 68.868 -0.495 0.000 1.103 82 T HN 0.789 nan 8.240 nan 0.000 0.486 83 H N 0.600 119.455 119.070 -0.358 0.000 3.078 83 H HA 0.366 4.922 4.556 0.001 0.000 0.263 83 H C 0.542 175.846 175.328 -0.040 0.000 1.177 83 H CA -0.378 55.451 56.048 -0.365 0.000 1.128 83 H CB 0.610 29.887 29.762 -0.808 0.000 1.623 83 H HN 0.428 nan 8.280 nan 0.000 0.592 84 Q N 3.530 123.399 119.800 0.114 0.000 2.274 84 Q HA 0.019 4.359 4.340 0.001 0.000 0.280 84 Q C -1.605 174.653 176.000 0.430 0.000 1.047 84 Q CA -1.415 54.519 55.803 0.220 0.000 0.907 84 Q CB 1.026 29.807 28.738 0.071 0.000 1.171 84 Q HN 0.228 nan 8.270 nan 0.000 0.381 85 P HA 0.065 nan 4.420 nan 0.000 0.239 85 P C -0.376 176.917 177.300 -0.012 0.000 1.188 85 P CA 0.286 63.401 63.100 0.025 0.000 0.794 85 P CB 0.726 32.517 31.700 0.152 0.000 0.937 86 S N -0.406 115.312 115.700 0.031 0.000 2.556 86 S HA 0.344 4.814 4.470 0.001 0.000 0.280 86 S C -2.477 171.986 174.600 -0.227 0.000 1.141 86 S CA -1.119 57.052 58.200 -0.048 0.000 0.883 86 S CB 1.291 64.537 63.200 0.076 0.000 1.103 86 S HN -0.269 nan 8.310 nan 0.000 0.453 87 P HA -0.048 nan 4.420 nan 0.000 0.218 87 P C 0.848 177.692 177.300 -0.759 0.000 1.148 87 P CA 1.253 63.750 63.100 -1.004 0.000 0.822 87 P CB -0.133 30.260 31.700 -2.180 0.000 0.784 88 W N -0.324 120.809 121.300 -0.279 0.000 2.418 88 W HA 0.003 4.664 4.660 0.001 0.000 0.292 88 W C 2.370 178.791 176.519 -0.164 0.000 1.213 88 W CA -0.108 57.149 57.345 -0.148 0.000 1.283 88 W CB -0.792 28.611 29.460 -0.095 0.000 1.119 88 W HN -0.187 nan 8.180 nan 0.000 0.542 89 I N -0.242 120.314 120.570 -0.024 0.000 2.406 89 I HA -0.108 4.062 4.170 0.001 0.000 0.249 89 I C 1.178 177.246 176.117 -0.081 0.000 1.122 89 I CA 1.113 62.319 61.300 -0.155 0.000 1.431 89 I CB -1.422 36.385 38.000 -0.322 0.000 1.087 89 I HN 0.157 nan 8.210 nan 0.000 0.424 90 N N 0.871 119.528 118.700 -0.071 0.000 6.932 90 N HA -0.193 4.547 4.740 0.001 0.000 0.423 90 N C -0.471 175.063 175.510 0.039 0.000 0.940 90 N CA 0.801 53.829 53.050 -0.037 0.000 1.283 90 N CB -0.394 38.084 38.487 -0.015 0.000 0.827 90 N HN 0.178 nan 8.380 nan 0.000 0.267 91 D N -0.851 119.583 120.400 0.057 0.000 2.442 91 D HA 0.749 5.390 4.640 0.001 0.000 0.254 91 D C -0.699 175.722 176.300 0.203 0.000 1.069 91 D CA 0.121 54.173 54.000 0.087 0.000 1.017 91 D CB 0.834 41.626 40.800 -0.012 0.000 1.172 91 D HN 0.437 nan 8.370 nan 0.000 0.561 92 Y N -3.120 117.245 120.300 0.108 0.000 2.656 92 Y HA 0.479 5.030 4.550 0.001 0.000 0.334 92 Y C 0.215 176.335 175.900 0.366 0.000 1.179 92 Y CA -1.064 57.124 58.100 0.146 0.000 1.050 92 Y CB 0.793 39.224 38.460 -0.048 0.000 1.308 92 Y HN 0.519 nan 8.280 nan 0.000 0.456 93 G N 1.989 111.148 108.800 0.599 0.000 2.350 93 G HA2 -0.123 3.837 3.960 0.001 0.000 0.298 93 G HA3 -0.123 3.837 3.960 0.001 0.000 0.298 93 G C -0.797 174.233 174.900 0.217 0.000 1.037 93 G CA 0.397 45.811 45.100 0.522 0.000 1.074 93 G HN 0.978 nan 8.290 nan 0.000 0.511 94 Q N -0.832 118.972 119.800 0.007 0.000 2.340 94 Q HA 0.835 5.175 4.340 0.001 0.000 0.268 94 Q C -0.323 175.286 176.000 -0.652 0.000 1.031 94 Q CA -1.238 54.311 55.803 -0.423 0.000 0.804 94 Q CB 2.058 30.476 28.738 -0.535 0.000 1.286 94 Q HN 0.975 nan 8.270 nan 0.000 0.448 95 F N -0.968 118.478 119.950 -0.841 0.000 2.711 95 F HA 0.843 5.370 4.527 0.001 0.000 0.313 95 F C -1.219 174.327 175.800 -0.423 0.000 1.141 95 F CA -0.860 56.691 58.000 -0.748 0.000 0.941 95 F CB 1.418 40.077 39.000 -0.569 0.000 1.349 95 F HN 0.687 nan 8.300 nan 0.000 0.464 96 S N 1.273 116.977 115.700 0.008 0.000 2.627 96 S HA 0.840 5.311 4.470 0.001 0.000 0.283 96 S C -1.581 173.134 174.600 0.192 0.000 1.127 96 S CA -0.761 57.474 58.200 0.059 0.000 0.863 96 S CB 2.056 65.367 63.200 0.185 0.000 1.121 96 S HN 1.156 nan 8.310 nan 0.000 0.479 97 I N 1.072 121.743 120.570 0.167 0.000 2.647 97 I HA 0.760 4.931 4.170 0.001 0.000 0.295 97 I C -1.949 174.260 176.117 0.153 0.000 1.078 97 I CA -1.169 60.203 61.300 0.120 0.000 1.048 97 I CB 2.110 40.088 38.000 -0.036 0.000 1.239 97 I HN 0.895 nan 8.210 nan 0.000 0.421 98 M N 10.573 130.211 119.600 0.063 0.000 2.234 98 M HA 0.540 5.020 4.480 0.001 0.000 0.267 98 M C -2.928 173.298 176.300 -0.122 0.000 1.022 98 M CA -1.753 53.582 55.300 0.059 0.000 0.993 98 M CB 2.243 34.849 32.600 0.009 0.000 1.836 98 M HN 0.138 nan 8.290 nan 0.000 0.479 99 P HA 0.549 nan 4.420 nan 0.000 0.279 99 P C -1.032 176.087 177.300 -0.302 0.000 1.239 99 P CA -0.251 62.613 63.100 -0.394 0.000 0.789 99 P CB 0.826 32.045 31.700 -0.801 0.000 0.933 100 I N -1.057 119.372 120.570 -0.236 0.000 3.458 100 I HA 0.769 4.939 4.170 0.001 0.000 0.316 100 I C -1.517 174.538 176.117 -0.103 0.000 1.202 100 I CA -1.415 59.535 61.300 -0.583 0.000 0.929 100 I CB 2.159 39.846 38.000 -0.521 0.000 1.340 100 I HN 0.064 nan 8.210 nan 0.000 0.481 101 V N 0.607 120.476 119.914 -0.076 0.000 3.012 101 V HA 0.812 4.933 4.120 0.001 0.000 0.307 101 V C 0.453 176.676 176.094 0.214 0.000 1.166 101 V CA 0.676 63.082 62.300 0.177 0.000 0.974 101 V CB 1.304 33.263 31.823 0.226 0.000 1.040 101 V HN 1.457 nan 8.190 nan 0.000 0.428 102 G N 3.576 112.522 108.800 0.243 0.000 2.848 102 G HA2 -0.127 3.833 3.960 0.001 0.000 0.246 102 G HA3 -0.127 3.833 3.960 0.001 0.000 0.246 102 G C -0.459 174.524 174.900 0.138 0.000 1.374 102 G CA -0.164 45.046 45.100 0.183 0.000 0.982 102 G HN 0.675 nan 8.290 nan 0.000 0.563 103 Q N 2.658 122.465 119.800 0.011 0.000 2.288 103 Q HA 0.439 4.779 4.340 0.001 0.000 0.254 103 Q C -2.168 173.645 176.000 -0.312 0.000 0.932 103 Q CA -1.539 54.184 55.803 -0.134 0.000 0.902 103 Q CB 1.223 29.896 28.738 -0.108 0.000 1.203 103 Q HN 0.486 nan 8.270 nan 0.000 0.415 104 P HA 0.061 nan 4.420 nan 0.000 0.277 104 P C -0.623 176.430 177.300 -0.411 0.000 1.354 104 P CA -0.121 62.397 63.100 -0.971 0.000 0.891 104 P CB 0.245 31.118 31.700 -1.379 0.000 1.058 105 V N 1.562 121.319 119.914 -0.261 0.000 2.604 105 V HA 0.469 4.589 4.120 0.001 0.000 0.305 105 V C 0.117 176.188 176.094 -0.039 0.000 1.043 105 V CA -0.692 61.542 62.300 -0.111 0.000 0.888 105 V CB 1.781 33.555 31.823 -0.081 0.000 0.995 105 V HN 0.302 nan 8.190 nan 0.000 0.429 106 F N 2.378 122.249 119.950 -0.132 0.000 2.622 106 F HA 0.322 4.849 4.527 0.001 0.000 0.288 106 F C 1.257 176.996 175.800 -0.101 0.000 1.120 106 F CA 0.171 58.101 58.000 -0.117 0.000 1.423 106 F CB 0.264 39.184 39.000 -0.132 0.000 1.127 106 F HN 0.820 nan 8.300 nan 0.000 0.588 107 D N 2.267 122.639 120.400 -0.048 0.000 2.571 107 D HA -0.162 4.479 4.640 0.001 0.000 0.231 107 D C 1.023 177.198 176.300 -0.208 0.000 1.133 107 D CA 0.758 54.693 54.000 -0.108 0.000 0.862 107 D CB 0.896 41.672 40.800 -0.040 0.000 1.179 107 D HN 0.695 nan 8.370 nan 0.000 0.474 108 E N 2.262 122.329 120.200 -0.223 0.000 2.427 108 E HA -0.120 4.230 4.350 0.001 0.000 0.196 108 E C 0.816 177.329 176.600 -0.144 0.000 1.028 108 E CA 0.762 57.029 56.400 -0.221 0.000 0.864 108 E CB 0.089 29.656 29.700 -0.222 0.000 0.813 108 E HN 0.581 nan 8.360 nan 0.000 0.514 109 E N 1.283 121.419 120.200 -0.107 0.000 2.132 109 E HA 0.022 4.373 4.350 0.001 0.000 0.193 109 E C 1.853 178.418 176.600 -0.057 0.000 0.951 109 E CA 0.160 56.512 56.400 -0.081 0.000 0.843 109 E CB 0.076 29.735 29.700 -0.068 0.000 0.807 109 E HN 0.144 nan 8.360 nan 0.000 0.467 110 K N 1.276 121.646 120.400 -0.050 0.000 2.209 110 K HA -0.134 4.187 4.320 0.001 0.000 0.204 110 K C 2.243 178.845 176.600 0.004 0.000 1.048 110 K CA 1.188 57.461 56.287 -0.023 0.000 0.940 110 K CB -0.109 32.375 32.500 -0.026 0.000 0.729 110 K HN 0.096 nan 8.250 nan 0.000 0.451 111 R N 0.462 120.950 120.500 -0.020 0.000 2.297 111 R HA 0.204 4.544 4.340 0.001 0.000 0.197 111 R C 0.524 176.898 176.300 0.123 0.000 0.943 111 R CA 0.132 56.255 56.100 0.037 0.000 1.038 111 R CB 0.075 30.334 30.300 -0.068 0.000 0.957 111 R HN -0.091 nan 8.270 nan 0.000 0.484 112 A N 1.427 124.261 122.820 0.022 0.000 2.386 112 A HA 0.318 4.638 4.320 0.001 0.000 0.248 112 A C -0.283 177.292 177.584 -0.015 0.000 1.082 112 A CA -0.076 51.955 52.037 -0.011 0.000 0.789 112 A CB 0.846 19.799 19.000 -0.079 0.000 1.025 112 A HN 0.344 nan 8.150 nan 0.000 0.490 113 S N 0.373 116.055 115.700 -0.031 0.000 2.521 113 S HA 0.512 4.983 4.470 0.001 0.000 0.295 113 S C -0.807 173.831 174.600 0.063 0.000 1.098 113 S CA -0.553 57.614 58.200 -0.054 0.000 0.999 113 S CB 0.287 63.427 63.200 -0.099 0.000 1.034 113 S HN 0.569 nan 8.310 nan 0.000 0.483 114 W N 4.139 125.418 121.300 -0.035 0.000 2.253 114 W HA 0.343 5.003 4.660 0.001 0.000 0.348 114 W C 0.201 176.808 176.519 0.147 0.000 1.267 114 W CA 0.669 58.026 57.345 0.020 0.000 1.298 114 W CB 0.322 29.756 29.460 -0.042 0.000 1.181 114 W HN 0.593 nan 8.180 nan 0.000 0.585 115 F N 0.340 120.406 119.950 0.193 0.000 2.779 115 F HA 0.842 5.370 4.527 0.001 0.000 0.316 115 F C -1.293 174.562 175.800 0.091 0.000 1.164 115 F CA -1.889 56.188 58.000 0.129 0.000 0.924 115 F CB 0.518 39.545 39.000 0.045 0.000 1.348 115 F HN 0.449 nan 8.300 nan 0.000 0.467 116 A N 0.216 122.922 122.820 -0.189 0.000 2.498 116 A HA 0.569 4.889 4.320 0.001 0.000 0.298 116 A C -0.108 177.364 177.584 -0.186 0.000 1.075 116 A CA -0.701 51.090 52.037 -0.411 0.000 0.714 116 A CB 0.670 19.612 19.000 -0.097 0.000 1.299 116 A HN 0.982 nan 8.150 nan 0.000 0.407 117 H N 1.024 120.037 119.070 -0.096 0.000 2.421 117 H HA -0.070 4.486 4.556 0.001 0.000 0.298 117 H C 0.963 176.371 175.328 0.134 0.000 1.087 117 H CA 1.851 57.957 56.048 0.096 0.000 1.330 117 H CB 0.178 29.967 29.762 0.045 0.000 1.388 117 H HN 0.675 nan 8.280 nan 0.000 0.526 118 K N 0.257 120.769 120.400 0.186 0.000 2.515 118 K HA -0.020 4.301 4.320 0.001 0.000 0.196 118 K C 1.657 178.326 176.600 0.116 0.000 1.038 118 K CA 0.684 57.051 56.287 0.134 0.000 0.967 118 K CB 0.235 32.791 32.500 0.093 0.000 0.780 118 K HN 0.203 nan 8.250 nan 0.000 0.483 119 G N 0.951 109.843 108.800 0.152 0.000 3.453 119 G HA2 -0.023 3.938 3.960 0.001 0.000 0.263 119 G HA3 -0.023 3.938 3.960 0.001 0.000 0.263 119 G C -0.365 174.649 174.900 0.188 0.000 1.060 119 G CA -0.226 44.976 45.100 0.170 0.000 0.793 119 G HN 0.162 nan 8.290 nan 0.000 0.532 120 E N 0.352 120.658 120.200 0.177 0.000 2.266 120 E HA 0.551 4.902 4.350 0.001 0.000 0.268 120 E C -1.662 174.945 176.600 0.011 0.000 0.879 120 E CA -0.567 55.891 56.400 0.096 0.000 0.762 120 E CB 2.682 32.564 29.700 0.304 0.000 1.199 120 E HN -0.120 nan 8.360 nan 0.000 0.422 121 V N 2.713 122.519 119.914 -0.180 0.000 2.447 121 V HA 0.598 4.719 4.120 0.001 0.000 0.292 121 V C -0.612 175.348 176.094 -0.224 0.000 1.021 121 V CA -0.606 61.626 62.300 -0.112 0.000 0.850 121 V CB 1.240 33.045 31.823 -0.030 0.000 1.005 121 V HN 0.746 nan 8.190 nan 0.000 0.426 122 A N 3.814 126.597 122.820 -0.061 0.000 2.287 122 A HA 0.912 5.233 4.320 0.001 0.000 0.317 122 A C 0.105 177.624 177.584 -0.109 0.000 1.220 122 A CA -0.266 51.784 52.037 0.022 0.000 0.835 122 A CB 1.209 20.329 19.000 0.199 0.000 1.180 122 A HN 0.934 nan 8.150 nan 0.000 0.500 123 T N -0.150 114.267 114.554 -0.229 0.000 2.906 123 T HA 0.661 5.012 4.350 0.001 0.000 0.295 123 T C -2.513 171.881 174.700 -0.510 0.000 1.075 123 T CA -1.800 60.028 62.100 -0.454 0.000 1.005 123 T CB 1.784 70.173 68.868 -0.797 0.000 1.136 123 T HN 0.115 nan 8.240 nan 0.000 0.498 124 P HA -0.058 nan 4.420 nan 0.000 0.217 124 P C 0.756 177.953 177.300 -0.172 0.000 1.148 124 P CA 1.196 63.937 63.100 -0.598 0.000 0.828 124 P CB -0.299 30.603 31.700 -1.330 0.000 0.783 125 Y N -4.658 115.614 120.300 -0.047 0.000 2.467 125 Y HA 0.473 5.024 4.550 0.001 0.000 0.250 125 Y C 0.202 176.196 175.900 0.157 0.000 1.155 125 Y CA -1.159 57.019 58.100 0.129 0.000 1.249 125 Y CB -0.199 38.365 38.460 0.174 0.000 1.146 125 Y HN -0.151 nan 8.280 nan 0.000 0.524 126 Y N 0.482 120.522 120.300 -0.432 0.000 2.474 126 Y HA 0.496 5.047 4.550 0.001 0.000 0.326 126 Y C -2.440 173.340 175.900 -0.199 0.000 1.160 126 Y CA -2.319 55.614 58.100 -0.278 0.000 1.056 126 Y CB 1.191 39.465 38.460 -0.310 0.000 1.330 126 Y HN 0.043 nan 8.280 nan 0.000 0.447 127 Y N 6.056 125.855 120.300 -0.836 0.000 2.421 127 Y HA 0.630 5.181 4.550 0.001 0.000 0.339 127 Y C -1.565 173.881 175.900 -0.757 0.000 0.996 127 Y CA -0.866 56.861 58.100 -0.622 0.000 1.046 127 Y CB 1.569 39.849 38.460 -0.300 0.000 1.226 127 Y HN 0.706 nan 8.280 nan 0.000 0.445 128 K N 5.203 124.930 120.400 -1.122 0.000 2.464 128 K HA 0.823 5.144 4.320 0.001 0.000 0.253 128 K C -2.394 173.862 176.600 -0.574 0.000 0.933 128 K CA -0.865 55.013 56.287 -0.681 0.000 0.801 128 K CB 2.345 34.615 32.500 -0.383 0.000 1.271 128 K HN 0.566 nan 8.250 nan 0.000 0.430 129 V N 3.925 123.724 119.914 -0.192 0.000 3.077 129 V HA 0.401 4.522 4.120 0.001 0.000 0.299 129 V C -2.158 174.047 176.094 0.185 0.000 1.276 129 V CA -0.720 61.590 62.300 0.017 0.000 0.993 129 V CB 1.866 33.752 31.823 0.105 0.000 1.076 129 V HN 0.806 nan 8.190 nan 0.000 0.434 130 Y N 6.010 126.380 120.300 0.116 0.000 2.335 130 Y HA 0.658 5.209 4.550 0.001 0.000 0.339 130 Y C -0.399 175.613 175.900 0.187 0.000 0.987 130 Y CA -0.718 57.460 58.100 0.130 0.000 1.140 130 Y CB 1.294 39.817 38.460 0.105 0.000 1.173 130 Y HN 0.604 nan 8.280 nan 0.000 0.486 131 L N 7.729 128.765 121.223 -0.311 0.000 2.312 131 L HA 0.349 4.690 4.340 0.001 0.000 0.287 131 L C 1.191 177.774 176.870 -0.478 0.000 1.091 131 L CA -0.145 54.578 54.840 -0.194 0.000 0.846 131 L CB 0.807 42.873 42.059 0.012 0.000 1.219 131 L HN 0.925 nan 8.230 nan 0.000 0.439 132 A N 2.533 125.206 122.820 -0.246 0.000 2.015 132 A HA -0.104 4.217 4.320 0.001 0.000 0.219 132 A C 1.900 179.406 177.584 -0.129 0.000 1.163 132 A CA 1.131 53.068 52.037 -0.168 0.000 0.646 132 A CB -0.136 18.946 19.000 0.136 0.000 0.806 132 A HN 0.803 nan 8.150 nan 0.000 0.448 133 E N -1.335 118.760 120.200 -0.174 0.000 2.481 133 E HA -0.039 4.312 4.350 0.001 0.000 0.195 133 E C 0.769 177.180 176.600 -0.316 0.000 1.047 133 E CA 0.359 56.616 56.400 -0.239 0.000 0.867 133 E CB 0.049 29.587 29.700 -0.270 0.000 0.858 133 E HN 0.704 nan 8.360 nan 0.000 0.513 134 H N -0.594 118.449 119.070 -0.046 0.000 3.046 134 H HA 0.044 4.601 4.556 0.001 0.000 0.262 134 H C 0.073 175.380 175.328 -0.036 0.000 1.044 134 H CA 0.314 56.350 56.048 -0.020 0.000 1.209 134 H CB 0.676 30.425 29.762 -0.021 0.000 1.507 134 H HN 0.053 nan 8.280 nan 0.000 0.507 135 D N 0.881 121.246 120.400 -0.058 0.000 2.716 135 D HA -0.174 4.466 4.640 0.001 0.000 0.239 135 D C -0.705 175.608 176.300 0.022 0.000 1.125 135 D CA 0.308 54.304 54.000 -0.006 0.000 0.681 135 D CB -1.642 39.252 40.800 0.157 0.000 1.070 135 D HN 0.406 nan 8.370 nan 0.000 0.432 136 I N -0.091 120.389 120.570 -0.150 0.000 2.498 136 I HA 0.363 4.533 4.170 0.001 0.000 0.290 136 I C 0.221 176.317 176.117 -0.034 0.000 1.032 136 I CA -1.253 59.994 61.300 -0.089 0.000 1.073 136 I CB 2.173 40.064 38.000 -0.182 0.000 1.251 136 I HN -0.221 nan 8.210 nan 0.000 0.426 137 V N 4.787 124.752 119.914 0.085 0.000 2.394 137 V HA 0.364 4.485 4.120 0.001 0.000 0.282 137 V C 0.111 176.249 176.094 0.073 0.000 1.031 137 V CA -0.221 62.163 62.300 0.140 0.000 0.881 137 V CB 1.593 33.518 31.823 0.170 0.000 0.982 137 V HN 0.728 nan 8.190 nan 0.000 0.451 138 T N 5.552 120.141 114.554 0.058 0.000 2.797 138 T HA 0.566 4.916 4.350 0.001 0.000 0.279 138 T C -0.537 174.053 174.700 -0.184 0.000 0.991 138 T CA -0.578 61.500 62.100 -0.037 0.000 0.979 138 T CB 1.055 69.812 68.868 -0.185 0.000 0.943 138 T HN 0.778 nan 8.240 nan 0.000 0.444 139 E N 3.052 123.082 120.200 -0.283 0.000 2.293 139 E HA 0.661 5.011 4.350 0.001 0.000 0.270 139 E C -0.654 175.627 176.600 -0.532 0.000 0.879 139 E CA -0.960 55.208 56.400 -0.387 0.000 0.756 139 E CB 2.409 31.962 29.700 -0.244 0.000 1.208 139 E HN 0.622 nan 8.360 nan 0.000 0.428 140 M N -0.315 118.918 119.600 -0.611 0.000 2.386 140 M HA 0.612 5.092 4.480 0.001 0.000 0.293 140 M C -1.151 174.867 176.300 -0.470 0.000 1.120 140 M CA -0.770 54.045 55.300 -0.808 0.000 0.909 140 M CB 2.227 34.041 32.600 -1.311 0.000 1.661 140 M HN 0.424 nan 8.290 nan 0.000 0.452 141 T N 0.528 114.860 114.554 -0.369 0.000 2.881 141 T HA 0.780 5.130 4.350 0.001 0.000 0.291 141 T C -3.118 171.486 174.700 -0.160 0.000 0.990 141 T CA -1.374 60.649 62.100 -0.128 0.000 0.976 141 T CB 1.865 70.748 68.868 0.025 0.000 0.970 141 T HN 0.606 nan 8.240 nan 0.000 0.438 142 P HA 0.535 nan 4.420 nan 0.000 0.285 142 P C -0.185 177.169 177.300 0.089 0.000 1.280 142 P CA -0.358 62.736 63.100 -0.008 0.000 0.862 142 P CB 1.878 33.642 31.700 0.107 0.000 1.153 143 T N -3.384 111.235 114.554 0.108 0.000 2.768 143 T HA 0.331 4.682 4.350 0.001 0.000 0.268 143 T C 1.169 175.968 174.700 0.164 0.000 0.969 143 T CA -0.406 61.766 62.100 0.120 0.000 1.008 143 T CB 0.413 69.336 68.868 0.092 0.000 1.371 143 T HN 0.300 nan 8.240 nan 0.000 0.587 144 E N 0.093 120.377 120.200 0.141 0.000 2.110 144 E HA -0.053 4.298 4.350 0.001 0.000 0.193 144 E C 1.980 178.687 176.600 0.178 0.000 0.988 144 E CA 1.003 57.495 56.400 0.153 0.000 0.804 144 E CB 0.019 29.779 29.700 0.101 0.000 0.745 144 E HN 0.455 nan 8.360 nan 0.000 0.458 145 R N -1.291 119.309 120.500 0.166 0.000 2.521 145 R HA 0.327 4.667 4.340 0.001 0.000 0.289 145 R C -0.106 176.342 176.300 0.245 0.000 0.936 145 R CA -0.003 56.210 56.100 0.189 0.000 1.089 145 R CB 1.536 31.912 30.300 0.126 0.000 1.348 145 R HN -0.055 nan 8.270 nan 0.000 0.536 146 A N 0.362 123.312 122.820 0.215 0.000 2.437 146 A HA 0.822 5.142 4.320 0.001 0.000 0.292 146 A C -1.354 176.290 177.584 0.100 0.000 1.173 146 A CA -0.646 51.506 52.037 0.193 0.000 0.785 146 A CB 2.091 21.166 19.000 0.125 0.000 1.351 146 A HN -0.055 nan 8.150 nan 0.000 0.431 147 V N -0.189 119.698 119.914 -0.044 0.000 3.120 147 V HA 0.654 4.775 4.120 0.001 0.000 0.303 147 V C -2.103 173.826 176.094 -0.275 0.000 1.238 147 V CA -0.560 61.557 62.300 -0.305 0.000 1.008 147 V CB 2.011 33.286 31.823 -0.912 0.000 1.064 147 V HN 1.168 nan 8.190 nan 0.000 0.434 148 L N 5.276 126.301 121.223 -0.330 0.000 2.305 148 L HA 0.720 5.061 4.340 0.001 0.000 0.284 148 L C -1.219 175.370 176.870 -0.469 0.000 1.013 148 L CA 0.138 54.823 54.840 -0.260 0.000 0.819 148 L CB 1.286 43.248 42.059 -0.161 0.000 1.227 148 L HN 0.569 nan 8.230 nan 0.000 0.417 149 F N 4.171 123.873 119.950 -0.414 0.000 2.399 149 F HA 0.603 5.131 4.527 0.001 0.000 0.334 149 F C 0.379 175.800 175.800 -0.633 0.000 1.097 149 F CA -0.308 57.319 58.000 -0.622 0.000 1.076 149 F CB 1.330 39.835 39.000 -0.825 0.000 1.162 149 F HN 0.398 nan 8.300 nan 0.000 0.495 150 R N 3.765 123.964 120.500 -0.501 0.000 2.451 150 R HA 0.471 4.812 4.340 0.001 0.000 0.307 150 R C -1.960 174.097 176.300 -0.405 0.000 0.965 150 R CA -0.466 55.422 56.100 -0.354 0.000 0.865 150 R CB 0.625 30.837 30.300 -0.148 0.000 1.174 150 R HN 0.555 nan 8.270 nan 0.000 0.455 151 F N 2.397 122.394 119.950 0.079 0.000 2.404 151 F HA 0.307 4.835 4.527 0.001 0.000 0.354 151 F C 0.435 176.211 175.800 -0.039 0.000 1.122 151 F CA -0.759 57.206 58.000 -0.059 0.000 1.080 151 F CB 2.237 41.174 39.000 -0.105 0.000 1.131 151 F HN 0.273 nan 8.300 nan 0.000 0.471 152 T N 4.787 119.382 114.554 0.069 0.000 2.762 152 T HA 0.362 4.712 4.350 0.001 0.000 0.303 152 T C -0.397 174.326 174.700 0.039 0.000 0.977 152 T CA -0.294 61.867 62.100 0.101 0.000 0.961 152 T CB -0.132 68.795 68.868 0.099 0.000 0.944 152 T HN 0.179 nan 8.240 nan 0.000 0.481 153 F N 5.265 125.305 119.950 0.149 0.000 2.378 153 F HA 0.452 4.980 4.527 0.001 0.000 0.325 153 F C -1.558 174.304 175.800 0.104 0.000 1.097 153 F CA -2.126 55.950 58.000 0.128 0.000 1.079 153 F CB 1.035 40.103 39.000 0.113 0.000 1.240 153 F HN 0.331 nan 8.300 nan 0.000 0.519 154 P HA 0.086 nan 4.420 nan 0.000 0.282 154 P C -1.299 176.104 177.300 0.173 0.000 1.287 154 P CA -0.618 62.606 63.100 0.206 0.000 0.792 154 P CB 0.568 32.380 31.700 0.186 0.000 1.163 155 E N 1.125 121.393 120.200 0.112 0.000 2.265 155 E HA 0.099 4.450 4.350 0.001 0.000 0.272 155 E C -0.547 176.086 176.600 0.056 0.000 1.067 155 E CA -0.062 56.378 56.400 0.068 0.000 0.900 155 E CB -0.256 29.472 29.700 0.047 0.000 1.017 155 E HN 0.251 nan 8.360 nan 0.000 0.431 156 N N 3.588 122.300 118.700 0.020 0.000 2.504 156 N HA 0.067 4.807 4.740 0.001 0.000 0.268 156 N C -0.903 174.535 175.510 -0.120 0.000 1.184 156 N CA -0.510 52.533 53.050 -0.012 0.000 0.875 156 N CB 1.836 40.350 38.487 0.046 0.000 1.630 156 N HN 0.425 nan 8.380 nan 0.000 0.486 157 D N -0.269 119.998 120.400 -0.221 0.000 2.347 157 D HA 0.038 4.679 4.640 0.001 0.000 0.213 157 D C -0.358 175.497 176.300 -0.742 0.000 0.985 157 D CA 1.156 54.879 54.000 -0.462 0.000 0.879 157 D CB 0.169 40.626 40.800 -0.572 0.000 0.919 157 D HN 0.374 nan 8.370 nan 0.000 0.526 158 H N -0.113 118.841 119.070 -0.193 0.000 2.569 158 H HA 0.372 4.929 4.556 0.001 0.000 0.247 158 H C -0.508 174.484 175.328 -0.559 0.000 1.346 158 H CA -0.279 55.506 56.048 -0.438 0.000 1.502 158 H CB 0.402 30.073 29.762 -0.152 0.000 1.512 158 H HN -0.214 nan 8.280 nan 0.000 0.502 159 S N 2.354 117.684 115.700 -0.616 0.000 2.475 159 S HA 0.577 5.048 4.470 0.001 0.000 0.298 159 S C -0.578 173.487 174.600 -0.893 0.000 1.119 159 S CA -0.535 57.367 58.200 -0.497 0.000 1.085 159 S CB 1.066 63.924 63.200 -0.571 0.000 1.028 159 S HN 0.355 nan 8.310 nan 0.000 0.489 160 Y N 0.025 120.183 120.300 -0.237 0.000 2.634 160 Y HA 0.691 5.242 4.550 0.001 0.000 0.340 160 Y C -0.367 175.408 175.900 -0.209 0.000 1.058 160 Y CA -1.171 56.705 58.100 -0.375 0.000 1.081 160 Y CB 1.312 39.583 38.460 -0.316 0.000 1.295 160 Y HN 0.318 nan 8.280 nan 0.000 0.487 161 V N 2.102 121.958 119.914 -0.097 0.000 2.531 161 V HA 0.445 4.565 4.120 0.001 0.000 0.301 161 V C -0.889 175.188 176.094 -0.028 0.000 1.034 161 V CA -0.906 61.353 62.300 -0.068 0.000 0.865 161 V CB 1.724 33.546 31.823 -0.002 0.000 0.995 161 V HN 0.525 nan 8.190 nan 0.000 0.424 162 V N 5.470 125.379 119.914 -0.008 0.000 2.439 162 V HA 0.490 4.611 4.120 0.001 0.000 0.282 162 V C -0.131 176.039 176.094 0.127 0.000 1.039 162 V CA -0.463 61.870 62.300 0.054 0.000 0.913 162 V CB 1.853 33.673 31.823 -0.005 0.000 0.983 162 V HN 0.606 nan 8.190 nan 0.000 0.460 163 V N 3.822 123.864 119.914 0.213 0.000 2.448 163 V HA 0.459 4.580 4.120 0.001 0.000 0.295 163 V C -0.602 175.724 176.094 0.386 0.000 1.025 163 V CA -0.494 61.969 62.300 0.273 0.000 0.859 163 V CB 1.871 33.864 31.823 0.282 0.000 0.988 163 V HN 0.890 nan 8.190 nan 0.000 0.431 164 D N 3.661 124.299 120.400 0.396 0.000 2.425 164 D HA 0.568 5.209 4.640 0.001 0.000 0.240 164 D C 0.437 177.096 176.300 0.599 0.000 1.080 164 D CA -0.347 53.982 54.000 0.549 0.000 0.836 164 D CB 2.279 43.292 40.800 0.355 0.000 1.125 164 D HN 0.554 nan 8.370 nan 0.000 0.525 165 A N 3.751 126.932 122.820 0.603 0.000 2.275 165 A HA 0.328 4.649 4.320 0.001 0.000 0.212 165 A C 0.308 178.229 177.584 0.562 0.000 1.201 165 A CA -0.022 52.322 52.037 0.512 0.000 0.843 165 A CB -0.431 18.824 19.000 0.424 0.000 0.873 165 A HN 0.545 nan 8.150 nan 0.000 0.492 166 F N -0.737 119.333 119.950 0.200 0.000 2.183 166 F HA -0.173 4.355 4.527 0.001 0.000 0.318 166 F C 0.458 176.009 175.800 -0.416 0.000 0.517 166 F CA 0.436 58.340 58.000 -0.160 0.000 0.912 166 F CB -0.983 38.011 39.000 -0.010 0.000 4.135 166 F HN 0.552 nan 8.300 nan 0.000 0.137 167 D N 0.064 120.269 120.400 -0.325 0.000 2.560 167 D HA 0.471 5.112 4.640 0.001 0.000 0.277 167 D C 0.090 176.420 176.300 0.049 0.000 1.194 167 D CA 0.122 53.997 54.000 -0.208 0.000 1.092 167 D CB 0.440 41.106 40.800 -0.222 0.000 1.169 167 D HN 0.462 nan 8.370 nan 0.000 0.607 168 K N -1.505 118.938 120.400 0.071 0.000 3.339 168 K HA -0.006 4.315 4.320 0.001 0.000 0.299 168 K C 0.291 176.974 176.600 0.138 0.000 1.270 168 K CA 1.025 57.376 56.287 0.106 0.000 0.875 168 K CB -2.237 30.334 32.500 0.119 0.000 1.298 168 K HN 1.435 nan 8.250 nan 0.000 0.485 169 G N 0.117 109.003 108.800 0.145 0.000 3.238 169 G HA2 0.044 4.005 3.960 0.001 0.000 0.684 169 G HA3 0.044 4.005 3.960 0.001 0.000 0.684 169 G C -0.216 174.814 174.900 0.217 0.000 1.156 169 G CA 0.154 45.357 45.100 0.173 0.000 1.048 169 G HN 0.935 nan 8.290 nan 0.000 0.462 170 S N 1.106 116.901 115.700 0.158 0.000 2.794 170 S HA 0.913 5.383 4.470 0.001 0.000 0.299 170 S C -0.942 173.564 174.600 -0.157 0.000 1.179 170 S CA -0.799 57.441 58.200 0.067 0.000 0.838 170 S CB 2.752 66.043 63.200 0.153 0.000 1.206 170 S HN 2.099 nan 8.310 nan 0.000 0.523 171 Y N -0.319 119.617 120.300 -0.607 0.000 2.519 171 Y HA 0.803 5.353 4.550 0.001 0.000 0.336 171 Y C -2.033 173.649 175.900 -0.365 0.000 1.089 171 Y CA -0.980 56.751 58.100 -0.615 0.000 1.025 171 Y CB 1.336 39.077 38.460 -1.199 0.000 1.318 171 Y HN 0.969 nan 8.280 nan 0.000 0.452 172 I N 5.045 125.001 120.570 -1.024 0.000 2.802 172 I HA 0.597 4.768 4.170 0.001 0.000 0.298 172 I C -1.864 173.735 176.117 -0.863 0.000 1.176 172 I CA -0.549 60.302 61.300 -0.749 0.000 1.025 172 I CB 2.166 39.992 38.000 -0.291 0.000 1.243 172 I HN 0.676 nan 8.210 nan 0.000 0.424 173 K N 7.205 127.275 120.400 -0.550 0.000 2.550 173 K HA 0.563 4.884 4.320 0.001 0.000 0.252 173 K C -1.987 174.521 176.600 -0.154 0.000 0.943 173 K CA -0.511 55.574 56.287 -0.337 0.000 0.806 173 K CB 1.422 33.745 32.500 -0.294 0.000 1.289 173 K HN 0.579 nan 8.250 nan 0.000 0.435 174 I N 5.152 125.669 120.570 -0.088 0.000 2.336 174 I HA 0.301 4.471 4.170 0.001 0.000 0.292 174 I C -0.338 175.811 176.117 0.053 0.000 0.991 174 I CA -0.946 60.358 61.300 0.008 0.000 1.227 174 I CB 1.233 39.221 38.000 -0.020 0.000 1.366 174 I HN 0.475 nan 8.210 nan 0.000 0.466 175 I N 9.092 129.735 120.570 0.121 0.000 2.442 175 I HA 0.251 4.421 4.170 0.001 0.000 0.279 175 I C -1.735 174.472 176.117 0.150 0.000 1.081 175 I CA -1.478 59.879 61.300 0.095 0.000 1.197 175 I CB 0.978 39.009 38.000 0.051 0.000 1.394 175 I HN 0.341 nan 8.210 nan 0.000 0.488 176 P HA -0.172 nan 4.420 nan 0.000 0.215 176 P C 0.839 178.112 177.300 -0.046 0.000 1.153 176 P CA 1.268 64.422 63.100 0.089 0.000 0.853 176 P CB 0.159 31.916 31.700 0.095 0.000 0.788 177 E N -0.198 119.995 120.200 -0.013 0.000 2.515 177 E HA -0.113 4.238 4.350 0.001 0.000 0.201 177 E C 0.775 177.356 176.600 -0.032 0.000 1.071 177 E CA 0.777 57.159 56.400 -0.030 0.000 0.880 177 E CB -0.778 28.914 29.700 -0.014 0.000 0.828 177 E HN 0.485 nan 8.360 nan 0.000 0.540 178 E N 0.182 120.368 120.200 -0.023 0.000 2.810 178 E HA 0.152 4.503 4.350 0.001 0.000 0.214 178 E C -0.508 176.088 176.600 -0.005 0.000 0.980 178 E CA -0.404 55.992 56.400 -0.006 0.000 1.159 178 E CB 0.270 29.983 29.700 0.021 0.000 1.047 178 E HN 0.016 nan 8.360 nan 0.000 0.484 179 N N 2.332 120.955 118.700 -0.128 0.000 2.716 179 N HA -0.216 4.524 4.740 0.001 0.000 0.250 179 N C -0.680 175.007 175.510 0.295 0.000 1.033 179 N CA 1.256 54.150 53.050 -0.259 0.000 0.727 179 N CB -0.821 37.583 38.487 -0.138 0.000 0.950 179 N HN 0.320 nan 8.380 nan 0.000 0.541 180 K N 0.297 120.927 120.400 0.383 0.000 2.371 180 K HA 0.635 4.956 4.320 0.001 0.000 0.251 180 K C -0.835 176.002 176.600 0.395 0.000 0.934 180 K CA -0.644 55.870 56.287 0.377 0.000 0.798 180 K CB 1.443 34.047 32.500 0.174 0.000 1.204 180 K HN 0.068 nan 8.250 nan 0.000 0.427 181 I N 5.984 126.760 120.570 0.344 0.000 2.465 181 I HA 0.402 4.573 4.170 0.001 0.000 0.291 181 I C -0.178 176.018 176.117 0.133 0.000 1.014 181 I CA -1.043 60.389 61.300 0.221 0.000 1.093 181 I CB 1.716 39.888 38.000 0.287 0.000 1.267 181 I HN 0.620 nan 8.210 nan 0.000 0.431 182 I N 2.378 122.927 120.570 -0.035 0.000 2.957 182 I HA 1.069 5.239 4.170 0.001 0.000 0.310 182 I C -0.170 175.715 176.117 -0.388 0.000 1.063 182 I CA -0.443 60.750 61.300 -0.179 0.000 1.033 182 I CB 2.400 40.195 38.000 -0.342 0.000 1.230 182 I HN 0.622 nan 8.210 nan 0.000 0.447 183 G N 1.961 110.334 108.800 -0.712 0.000 2.441 183 G HA2 0.507 4.467 3.960 0.001 0.000 0.294 183 G HA3 0.507 4.467 3.960 0.001 0.000 0.294 183 G C -2.180 172.238 174.900 -0.803 0.000 1.393 183 G CA -0.567 44.071 45.100 -0.771 0.000 0.796 183 G HN 1.056 nan 8.290 nan 0.000 0.494 184 Y N -1.466 118.678 120.300 -0.260 0.000 2.545 184 Y HA 0.873 5.424 4.550 0.001 0.000 0.348 184 Y C -0.296 175.622 175.900 0.031 0.000 1.002 184 Y CA -1.279 56.662 58.100 -0.265 0.000 1.039 184 Y CB 1.876 40.069 38.460 -0.445 0.000 1.271 184 Y HN 0.754 nan 8.280 nan 0.000 0.467 185 T N 0.331 115.072 114.554 0.312 0.000 2.887 185 T HA 0.525 4.875 4.350 0.001 0.000 0.288 185 T C 0.315 175.152 174.700 0.229 0.000 1.021 185 T CA 0.159 62.442 62.100 0.306 0.000 1.000 185 T CB 1.330 70.372 68.868 0.290 0.000 1.034 185 T HN 1.174 nan 8.240 nan 0.000 0.467 186 T N 0.781 115.508 114.554 0.288 0.000 3.009 186 T HA 0.286 4.637 4.350 0.001 0.000 0.267 186 T C 0.737 175.695 174.700 0.430 0.000 0.942 186 T CA -0.381 61.928 62.100 0.348 0.000 0.883 186 T CB -0.142 68.891 68.868 0.276 0.000 1.192 186 T HN 0.650 nan 8.240 nan 0.000 0.524 187 R N 3.180 123.873 120.500 0.320 0.000 2.494 187 R HA 0.106 4.447 4.340 0.001 0.000 0.291 187 R C -0.316 176.146 176.300 0.269 0.000 0.953 187 R CA 0.757 57.017 56.100 0.266 0.000 1.098 187 R CB 0.073 30.536 30.300 0.271 0.000 0.911 187 R HN 0.722 nan 8.270 nan 0.000 0.407 188 N N 1.447 120.253 118.700 0.177 0.000 2.902 188 N HA 0.131 4.872 4.740 0.001 0.000 0.268 188 N C -1.092 174.446 175.510 0.045 0.000 1.450 188 N CA -0.905 52.206 53.050 0.101 0.000 0.819 188 N CB 1.667 40.098 38.487 -0.092 0.000 1.540 188 N HN 0.361 nan 8.380 nan 0.000 0.545 189 S N -1.309 114.393 115.700 0.003 0.000 2.663 189 S HA 0.536 5.007 4.470 0.001 0.000 0.243 189 S C 0.485 175.045 174.600 -0.066 0.000 1.009 189 S CA 0.102 58.295 58.200 -0.011 0.000 0.988 189 S CB -0.170 63.034 63.200 0.007 0.000 0.896 189 S HN 1.120 nan 8.310 nan 0.000 0.502 190 G N 0.221 108.952 108.800 -0.113 0.000 2.408 190 G HA2 0.392 4.353 3.960 0.001 0.000 0.682 190 G HA3 0.392 4.353 3.960 0.001 0.000 0.682 190 G C 0.262 175.030 174.900 -0.220 0.000 1.303 190 G CA -0.353 44.669 45.100 -0.130 0.000 0.966 190 G HN 1.104 nan 8.290 nan 0.000 0.560 191 G N -2.172 106.512 108.800 -0.193 0.000 2.246 191 G HA2 0.303 4.263 3.960 0.001 0.000 0.273 191 G HA3 0.303 4.263 3.960 0.001 0.000 0.273 191 G C 0.710 175.389 174.900 -0.368 0.000 1.055 191 G CA 1.406 46.355 45.100 -0.251 0.000 0.851 191 G HN 2.418 nan 8.290 nan 0.000 0.500 192 V N -3.575 116.162 119.914 -0.295 0.000 2.962 192 V HA 0.939 5.059 4.120 0.001 0.000 0.313 192 V C -2.109 173.938 176.094 -0.078 0.000 1.099 192 V CA -2.672 59.457 62.300 -0.285 0.000 0.971 192 V CB 2.003 33.543 31.823 -0.472 0.000 1.028 192 V HN 0.095 nan 8.190 nan 0.000 0.430 193 P HA 0.347 nan 4.420 nan 0.000 0.274 193 P C 0.717 178.112 177.300 0.159 0.000 1.237 193 P CA -0.299 62.856 63.100 0.092 0.000 0.793 193 P CB 0.708 32.475 31.700 0.113 0.000 0.977 194 E N 1.384 121.655 120.200 0.119 0.000 2.160 194 E HA -0.184 4.167 4.350 0.001 0.000 0.195 194 E C 1.006 177.687 176.600 0.135 0.000 0.991 194 E CA 1.221 57.689 56.400 0.113 0.000 0.810 194 E CB -0.304 29.444 29.700 0.079 0.000 0.742 194 E HN 0.504 nan 8.360 nan 0.000 0.466 195 N N 0.267 119.062 118.700 0.158 0.000 2.362 195 N HA -0.104 4.637 4.740 0.001 0.000 0.204 195 N C 0.214 175.778 175.510 0.090 0.000 1.166 195 N CA -0.244 52.871 53.050 0.109 0.000 0.831 195 N CB -0.922 37.633 38.487 0.112 0.000 1.008 195 N HN -0.039 nan 8.380 nan 0.000 0.472 196 F N 2.129 122.114 119.950 0.058 0.000 2.608 196 F HA 0.215 4.743 4.527 0.001 0.000 0.380 196 F C 0.082 175.780 175.800 -0.169 0.000 1.083 196 F CA 0.215 58.218 58.000 0.006 0.000 1.266 196 F CB 0.435 39.498 39.000 0.105 0.000 1.076 196 F HN -0.066 nan 8.300 nan 0.000 0.574 197 K N 4.977 124.569 120.400 -1.346 0.000 2.542 197 K HA 0.167 4.488 4.320 0.001 0.000 0.259 197 K C -1.497 174.315 176.600 -1.313 0.000 0.932 197 K CA -0.995 54.498 56.287 -1.323 0.000 0.820 197 K CB 1.917 33.532 32.500 -1.475 0.000 1.345 197 K HN 0.682 nan 8.250 nan 0.000 0.432 198 N N 2.695 120.845 118.700 -0.917 0.000 2.446 198 N HA 0.252 4.993 4.740 0.001 0.000 0.265 198 N C -1.392 173.807 175.510 -0.518 0.000 0.975 198 N CA -0.362 52.299 53.050 -0.648 0.000 0.928 198 N CB 0.652 38.964 38.487 -0.292 0.000 1.160 198 N HN 0.375 nan 8.380 nan 0.000 0.495 199 Y N 3.723 123.786 120.300 -0.395 0.000 2.313 199 Y HA 0.335 4.885 4.550 0.001 0.000 0.332 199 Y C 0.067 175.879 175.900 -0.147 0.000 1.071 199 Y CA -0.691 57.134 58.100 -0.457 0.000 1.169 199 Y CB 0.533 38.477 38.460 -0.861 0.000 1.192 199 Y HN 0.322 nan 8.280 nan 0.000 0.487 200 F N 1.106 121.106 119.950 0.084 0.000 2.588 200 F HA 0.908 5.435 4.527 0.001 0.000 0.314 200 F C -1.513 174.393 175.800 0.177 0.000 1.069 200 F CA -1.950 56.068 58.000 0.030 0.000 0.931 200 F CB 1.280 40.018 39.000 -0.436 0.000 1.260 200 F HN 0.217 nan 8.300 nan 0.000 0.465 201 I N 3.071 123.874 120.570 0.388 0.000 2.619 201 I HA 0.499 4.670 4.170 0.001 0.000 0.292 201 I C -1.165 175.116 176.117 0.273 0.000 1.100 201 I CA -0.773 60.689 61.300 0.269 0.000 1.043 201 I CB 2.495 40.613 38.000 0.196 0.000 1.239 201 I HN 0.586 nan 8.210 nan 0.000 0.420 202 I N 4.945 125.643 120.570 0.214 0.000 2.468 202 I HA 0.330 4.500 4.170 0.001 0.000 0.285 202 I C -0.744 175.385 176.117 0.020 0.000 1.039 202 I CA -0.455 60.903 61.300 0.097 0.000 1.074 202 I CB 1.911 39.976 38.000 0.109 0.000 1.228 202 I HN 0.524 nan 8.210 nan 0.000 0.436 203 E N 5.834 126.000 120.200 -0.057 0.000 2.151 203 E HA 0.504 4.855 4.350 0.001 0.000 0.275 203 E C -1.339 175.204 176.600 -0.096 0.000 0.936 203 E CA -0.574 55.832 56.400 0.010 0.000 0.777 203 E CB 1.874 31.601 29.700 0.046 0.000 1.108 203 E HN 0.276 nan 8.360 nan 0.000 0.401 204 F N 1.763 121.858 119.950 0.240 0.000 2.425 204 F HA 0.134 4.662 4.527 0.001 0.000 0.331 204 F C 1.245 177.126 175.800 0.135 0.000 1.085 204 F CA -0.832 57.322 58.000 0.257 0.000 1.028 204 F CB 0.989 40.257 39.000 0.447 0.000 1.177 204 F HN 0.440 nan 8.300 nan 0.000 0.487 205 D N 0.886 121.462 120.400 0.293 0.000 2.370 205 D HA 0.034 4.675 4.640 0.001 0.000 0.230 205 D C -0.165 176.191 176.300 0.093 0.000 1.143 205 D CA 0.122 54.209 54.000 0.144 0.000 0.834 205 D CB 0.041 40.898 40.800 0.094 0.000 0.944 205 D HN 0.215 nan 8.370 nan 0.000 0.504 206 K N 0.962 121.440 120.400 0.129 0.000 2.553 206 K HA 0.346 4.667 4.320 0.001 0.000 0.250 206 K C -3.174 173.443 176.600 0.028 0.000 0.953 206 K CA -1.807 54.473 56.287 -0.012 0.000 0.800 206 K CB 2.555 34.913 32.500 -0.238 0.000 1.243 206 K HN -0.156 nan 8.250 nan 0.000 0.435 207 P HA 0.132 nan 4.420 nan 0.000 0.271 207 P C -0.659 176.685 177.300 0.073 0.000 1.216 207 P CA -0.153 62.862 63.100 -0.141 0.000 0.776 207 P CB 0.150 31.798 31.700 -0.086 0.000 0.881 208 F N 0.425 120.444 119.950 0.114 0.000 2.456 208 F HA 0.189 4.717 4.527 0.001 0.000 0.358 208 F C 1.825 177.655 175.800 0.051 0.000 1.095 208 F CA -0.028 58.008 58.000 0.060 0.000 1.216 208 F CB -0.556 38.423 39.000 -0.035 0.000 1.125 208 F HN 0.210 nan 8.300 nan 0.000 0.549 209 T N 1.599 116.301 114.554 0.247 0.000 3.014 209 T HA 0.022 4.372 4.350 0.001 0.000 0.250 209 T C -0.768 174.039 174.700 0.177 0.000 1.060 209 T CA 0.559 62.755 62.100 0.161 0.000 1.040 209 T CB -0.263 68.681 68.868 0.127 0.000 0.971 209 T HN 0.483 nan 8.240 nan 0.000 0.497 210 Y N 2.424 122.735 120.300 0.019 0.000 2.477 210 Y HA 0.555 5.105 4.550 0.001 0.000 0.347 210 Y C -1.451 174.420 175.900 -0.048 0.000 0.981 210 Y CA -1.450 56.653 58.100 0.005 0.000 1.033 210 Y CB 1.169 39.657 38.460 0.046 0.000 1.245 210 Y HN -0.043 nan 8.280 nan 0.000 0.455 211 K N 4.151 124.170 120.400 -0.635 0.000 2.542 211 K HA 0.969 5.289 4.320 0.001 0.000 0.259 211 K C -2.112 174.118 176.600 -0.618 0.000 0.932 211 K CA -1.070 54.929 56.287 -0.480 0.000 0.820 211 K CB 2.192 34.565 32.500 -0.213 0.000 1.345 211 K HN 0.833 nan 8.250 nan 0.000 0.432 212 A N 1.125 123.712 122.820 -0.388 0.000 2.566 212 A HA 0.656 4.977 4.320 0.001 0.000 0.297 212 A C -0.774 176.697 177.584 -0.187 0.000 1.059 212 A CA -0.648 51.218 52.037 -0.286 0.000 0.691 212 A CB 1.523 20.378 19.000 -0.242 0.000 1.282 212 A HN 0.856 nan 8.150 nan 0.000 0.401 213 T N -1.215 113.231 114.554 -0.179 0.000 2.936 213 T HA 0.802 5.152 4.350 0.001 0.000 0.282 213 T C -0.349 174.217 174.700 -0.225 0.000 1.003 213 T CA -0.701 61.289 62.100 -0.184 0.000 1.005 213 T CB 1.420 70.183 68.868 -0.174 0.000 1.097 213 T HN 1.121 nan 8.240 nan 0.000 0.532 214 V N 1.269 120.998 119.914 -0.307 0.000 2.656 214 V HA 0.650 4.771 4.120 0.001 0.000 0.307 214 V C -0.500 175.367 176.094 -0.378 0.000 1.051 214 V CA -0.765 61.269 62.300 -0.443 0.000 0.893 214 V CB 1.631 32.906 31.823 -0.913 0.000 0.999 214 V HN 1.064 nan 8.190 nan 0.000 0.426 215 E N 5.456 125.478 120.200 -0.297 0.000 2.373 215 E HA 0.215 4.566 4.350 0.001 0.000 0.251 215 E C -0.327 176.177 176.600 -0.160 0.000 0.923 215 E CA -0.493 55.793 56.400 -0.191 0.000 0.798 215 E CB 0.959 30.585 29.700 -0.124 0.000 1.303 215 E HN 0.939 nan 8.360 nan 0.000 0.412 216 N N 3.651 122.262 118.700 -0.148 0.000 2.696 216 N HA -0.258 4.483 4.740 0.001 0.000 0.256 216 N C 0.692 176.133 175.510 -0.115 0.000 1.031 216 N CA 1.936 54.936 53.050 -0.083 0.000 0.730 216 N CB -2.118 36.358 38.487 -0.020 0.000 0.894 216 N HN 0.939 nan 8.380 nan 0.000 0.544 217 G N -1.325 107.349 108.800 -0.210 0.000 2.284 217 G HA2 -0.376 3.585 3.960 0.001 0.000 0.261 217 G HA3 -0.376 3.585 3.960 0.001 0.000 0.261 217 G C -0.028 174.789 174.900 -0.138 0.000 0.997 217 G CA 0.387 45.403 45.100 -0.140 0.000 0.621 217 G HN 0.834 nan 8.290 nan 0.000 0.534 218 N N 0.554 119.164 118.700 -0.150 0.000 2.458 218 N HA 0.495 5.236 4.740 0.001 0.000 0.270 218 N C -0.212 175.204 175.510 -0.158 0.000 1.102 218 N CA -0.408 52.569 53.050 -0.123 0.000 0.967 218 N CB 1.410 39.839 38.487 -0.095 0.000 1.078 218 N HN 0.214 nan 8.380 nan 0.000 0.471 219 L N 2.735 123.887 121.223 -0.120 0.000 2.290 219 L HA 0.219 4.559 4.340 0.001 0.000 0.284 219 L C -0.210 176.600 176.870 -0.100 0.000 1.078 219 L CA 0.086 54.856 54.840 -0.116 0.000 0.815 219 L CB 0.218 42.236 42.059 -0.069 0.000 1.162 219 L HN 0.438 nan 8.230 nan 0.000 0.435 220 Q N 4.711 124.439 119.800 -0.120 0.000 2.394 220 Q HA 0.258 4.599 4.340 0.001 0.000 0.261 220 Q C -0.678 175.242 176.000 -0.135 0.000 1.023 220 Q CA -0.451 55.286 55.803 -0.109 0.000 0.720 220 Q CB 1.677 30.351 28.738 -0.107 0.000 1.241 220 Q HN 0.573 nan 8.270 nan 0.000 0.483 221 E N 2.659 122.778 120.200 -0.134 0.000 2.415 221 E HA -0.076 4.274 4.350 0.001 0.000 0.263 221 E C -0.034 176.458 176.600 -0.179 0.000 0.995 221 E CA 0.251 56.523 56.400 -0.214 0.000 0.915 221 E CB 0.321 29.906 29.700 -0.191 0.000 0.951 221 E HN 0.485 nan 8.360 nan 0.000 0.449 222 N N 1.364 119.935 118.700 -0.215 0.000 2.863 222 N HA -0.178 4.563 4.740 0.001 0.000 0.245 222 N C -1.071 174.376 175.510 -0.105 0.000 1.001 222 N CA 0.895 53.858 53.050 -0.145 0.000 0.901 222 N CB -1.241 37.179 38.487 -0.111 0.000 1.124 222 N HN 0.190 nan 8.380 nan 0.000 0.582 223 V N 0.909 120.756 119.914 -0.112 0.000 2.432 223 V HA 0.469 4.589 4.120 0.001 0.000 0.271 223 V C 1.596 177.631 176.094 -0.098 0.000 1.046 223 V CA 0.374 62.620 62.300 -0.090 0.000 0.945 223 V CB 1.352 33.122 31.823 -0.087 0.000 0.992 223 V HN 0.343 nan 8.190 nan 0.000 0.471 224 A N 4.248 127.023 122.820 -0.076 0.000 2.119 224 A HA 0.113 4.434 4.320 0.001 0.000 0.216 224 A C 0.849 178.373 177.584 -0.100 0.000 1.152 224 A CA 0.734 52.727 52.037 -0.074 0.000 0.708 224 A CB 0.030 19.004 19.000 -0.044 0.000 0.805 224 A HN 0.822 nan 8.150 nan 0.000 0.460 225 E N -0.419 119.721 120.200 -0.100 0.000 2.335 225 E HA 0.384 4.735 4.350 0.001 0.000 0.280 225 E C -1.817 174.719 176.600 -0.106 0.000 0.918 225 E CA -0.658 55.669 56.400 -0.122 0.000 0.765 225 E CB 0.914 30.596 29.700 -0.030 0.000 1.218 225 E HN 0.155 nan 8.360 nan 0.000 0.425 226 Q N 2.049 121.749 119.800 -0.166 0.000 2.285 226 Q HA 0.366 4.706 4.340 0.001 0.000 0.269 226 Q C -1.369 174.625 176.000 -0.010 0.000 1.030 226 Q CA -0.645 55.104 55.803 -0.090 0.000 0.788 226 Q CB 2.430 31.092 28.738 -0.128 0.000 1.266 226 Q HN 0.525 nan 8.270 nan 0.000 0.438 227 T N 2.007 116.617 114.554 0.093 0.000 2.842 227 T HA 0.603 4.954 4.350 0.001 0.000 0.308 227 T C -0.379 174.370 174.700 0.082 0.000 1.041 227 T CA -0.213 61.978 62.100 0.152 0.000 0.964 227 T CB 1.046 70.026 68.868 0.186 0.000 0.972 227 T HN 0.581 nan 8.240 nan 0.000 0.460 228 T N 1.199 115.794 114.554 0.070 0.000 2.718 228 T HA 0.255 4.605 4.350 0.001 0.000 0.306 228 T C 0.588 175.344 174.700 0.092 0.000 1.485 228 T CA -0.428 61.710 62.100 0.064 0.000 0.997 228 T CB 1.627 70.513 68.868 0.029 0.000 1.504 228 T HN 0.444 nan 8.240 nan 0.000 0.497 229 D N 0.338 120.796 120.400 0.097 0.000 2.106 229 D HA -0.141 4.500 4.640 0.001 0.000 0.191 229 D C 0.681 177.087 176.300 0.178 0.000 0.997 229 D CA 1.873 55.947 54.000 0.123 0.000 0.834 229 D CB -0.036 40.829 40.800 0.109 0.000 0.956 229 D HN 0.577 nan 8.370 nan 0.000 0.448 230 H N -0.879 118.224 119.070 0.055 0.000 2.854 230 H HA 0.580 5.136 4.556 0.001 0.000 0.275 230 H C -1.199 174.134 175.328 0.008 0.000 1.198 230 H CA -0.860 55.235 56.048 0.077 0.000 1.489 230 H CB 0.638 30.453 29.762 0.087 0.000 1.519 230 H HN 0.180 nan 8.280 nan 0.000 0.503 231 A N 3.223 126.182 122.820 0.231 0.000 2.302 231 A HA 0.735 5.055 4.320 0.001 0.000 0.285 231 A C 0.299 177.918 177.584 0.057 0.000 1.105 231 A CA 0.233 52.288 52.037 0.031 0.000 0.816 231 A CB 0.924 19.908 19.000 -0.028 0.000 1.067 231 A HN 0.768 nan 8.150 nan 0.000 0.489 232 G N -1.463 107.236 108.800 -0.169 0.000 2.660 232 G HA2 0.767 4.727 3.960 0.001 0.000 0.290 232 G HA3 0.767 4.727 3.960 0.001 0.000 0.290 232 G C -1.083 173.745 174.900 -0.119 0.000 1.432 232 G CA 0.132 45.181 45.100 -0.084 0.000 0.807 232 G HN 1.775 nan 8.290 nan 0.000 0.485 233 A N -0.308 122.540 122.820 0.046 0.000 2.515 233 A HA 0.861 5.182 4.320 0.001 0.000 0.298 233 A C -1.181 176.430 177.584 0.045 0.000 1.059 233 A CA -0.588 51.441 52.037 -0.013 0.000 0.698 233 A CB 1.334 20.326 19.000 -0.013 0.000 1.289 233 A HN 0.807 nan 8.150 nan 0.000 0.404 234 I N 2.306 122.867 120.570 -0.015 0.000 2.499 234 I HA 0.463 4.633 4.170 0.001 0.000 0.288 234 I C -0.964 175.130 176.117 -0.039 0.000 1.048 234 I CA -0.642 60.661 61.300 0.005 0.000 1.062 234 I CB 1.835 39.858 38.000 0.038 0.000 1.238 234 I HN 0.685 nan 8.210 nan 0.000 0.426 235 I N 2.781 123.229 120.570 -0.203 0.000 2.846 235 I HA 1.062 5.232 4.170 0.001 0.000 0.307 235 I C 0.052 175.938 176.117 -0.384 0.000 1.053 235 I CA -0.327 60.732 61.300 -0.401 0.000 1.050 235 I CB 2.001 39.276 38.000 -1.208 0.000 1.239 235 I HN 0.549 nan 8.210 nan 0.000 0.439 236 G N 2.213 110.759 108.800 -0.424 0.000 2.687 236 G HA2 0.876 4.837 3.960 0.001 0.000 0.291 236 G HA3 0.876 4.837 3.960 0.001 0.000 0.291 236 G C -1.461 172.885 174.900 -0.924 0.000 1.420 236 G CA -0.847 43.705 45.100 -0.912 0.000 0.796 236 G HN 0.976 nan 8.290 nan 0.000 0.485 237 F N -2.512 117.232 119.950 -0.343 0.000 2.944 237 F HA 0.599 5.127 4.527 0.001 0.000 0.324 237 F C -0.626 174.966 175.800 -0.346 0.000 1.151 237 F CA -1.553 56.296 58.000 -0.251 0.000 0.883 237 F CB 1.380 40.270 39.000 -0.183 0.000 1.341 237 F HN 0.391 nan 8.300 nan 0.000 0.456 238 K N 1.100 121.515 120.400 0.025 0.000 2.174 238 K HA 0.612 4.933 4.320 0.001 0.000 0.275 238 K C -0.726 175.810 176.600 -0.107 0.000 1.015 238 K CA -0.274 55.956 56.287 -0.096 0.000 0.933 238 K CB 1.767 34.207 32.500 -0.100 0.000 1.025 238 K HN 0.805 nan 8.250 nan 0.000 0.463 239 T N 0.108 114.590 114.554 -0.120 0.000 2.893 239 T HA 0.449 4.800 4.350 0.001 0.000 0.293 239 T C -0.210 174.466 174.700 -0.040 0.000 1.027 239 T CA -1.084 60.947 62.100 -0.115 0.000 0.988 239 T CB 1.606 70.397 68.868 -0.128 0.000 1.043 239 T HN 0.446 nan 8.240 nan 0.000 0.461 240 R N 1.015 121.501 120.500 -0.024 0.000 2.531 240 R HA 0.376 4.717 4.340 0.001 0.000 0.273 240 R C 0.340 176.668 176.300 0.046 0.000 1.070 240 R CA -0.948 55.155 56.100 0.005 0.000 1.112 240 R CB 0.802 31.100 30.300 -0.003 0.000 1.049 240 R HN 0.726 nan 8.270 nan 0.000 0.508 241 K N 0.800 121.231 120.400 0.051 0.000 2.491 241 K HA -0.094 4.227 4.320 0.001 0.000 0.279 241 K C 0.613 177.261 176.600 0.079 0.000 1.026 241 K CA 1.286 57.617 56.287 0.074 0.000 1.070 241 K CB 0.061 32.596 32.500 0.058 0.000 0.887 241 K HN 0.776 nan 8.250 nan 0.000 0.481 242 G N 2.597 111.463 108.800 0.109 0.000 2.184 242 G HA2 -0.346 3.614 3.960 0.001 0.000 0.264 242 G HA3 -0.346 3.614 3.960 0.001 0.000 0.264 242 G C -0.017 174.948 174.900 0.107 0.000 0.975 242 G CA 0.497 45.658 45.100 0.103 0.000 0.642 242 G HN 0.778 nan 8.290 nan 0.000 0.536 243 E N 0.626 120.897 120.200 0.118 0.000 2.414 243 E HA 0.335 4.686 4.350 0.001 0.000 0.263 243 E C 0.409 177.109 176.600 0.168 0.000 1.000 243 E CA 0.101 56.560 56.400 0.099 0.000 0.914 243 E CB 0.199 29.923 29.700 0.041 0.000 0.948 243 E HN 0.531 nan 8.360 nan 0.000 0.444 244 Q N 2.347 122.220 119.800 0.121 0.000 2.293 244 Q HA 0.417 4.758 4.340 0.001 0.000 0.261 244 Q C -1.187 174.908 176.000 0.159 0.000 0.960 244 Q CA -0.834 55.063 55.803 0.156 0.000 0.882 244 Q CB 2.289 31.082 28.738 0.091 0.000 1.275 244 Q HN 0.315 nan 8.270 nan 0.000 0.445 245 V N 3.144 123.231 119.914 0.287 0.000 2.495 245 V HA 0.353 4.474 4.120 0.001 0.000 0.298 245 V C -0.348 175.922 176.094 0.293 0.000 1.031 245 V CA -0.916 61.565 62.300 0.300 0.000 0.871 245 V CB 1.708 33.817 31.823 0.477 0.000 0.988 245 V HN 0.758 nan 8.190 nan 0.000 0.432 246 N N 2.760 121.581 118.700 0.203 0.000 2.405 246 N HA 0.737 5.477 4.740 0.001 0.000 0.299 246 N C -0.564 175.026 175.510 0.133 0.000 1.075 246 N CA -0.330 52.777 53.050 0.094 0.000 0.884 246 N CB 2.525 41.032 38.487 0.032 0.000 1.194 246 N HN 0.787 nan 8.380 nan 0.000 0.491 247 A N 2.274 125.100 122.820 0.010 0.000 2.335 247 A HA 0.467 4.787 4.320 0.001 0.000 0.304 247 A C -0.254 177.280 177.584 -0.084 0.000 1.118 247 A CA -0.707 51.248 52.037 -0.137 0.000 0.757 247 A CB 0.857 19.717 19.000 -0.233 0.000 1.188 247 A HN 0.599 nan 8.150 nan 0.000 0.460 248 R N 1.672 122.122 120.500 -0.084 0.000 2.254 248 R HA 0.656 4.997 4.340 0.001 0.000 0.318 248 R C -0.856 175.450 176.300 0.011 0.000 1.031 248 R CA 0.127 56.213 56.100 -0.024 0.000 0.905 248 R CB 0.952 31.252 30.300 0.000 0.000 1.050 248 R HN 0.688 nan 8.270 nan 0.000 0.456 249 I N 1.388 121.993 120.570 0.059 0.000 2.730 249 I HA 0.713 4.884 4.170 0.001 0.000 0.298 249 I C -0.587 175.670 176.117 0.233 0.000 1.089 249 I CA -0.897 60.506 61.300 0.173 0.000 1.041 249 I CB 2.318 40.451 38.000 0.222 0.000 1.235 249 I HN 0.679 nan 8.210 nan 0.000 0.423 250 A N 3.055 126.071 122.820 0.326 0.000 2.610 250 A HA 0.885 5.205 4.320 0.001 0.000 0.291 250 A C -1.063 176.734 177.584 0.355 0.000 1.086 250 A CA -0.420 51.807 52.037 0.317 0.000 0.677 250 A CB 2.019 21.143 19.000 0.207 0.000 1.278 250 A HN 0.768 nan 8.150 nan 0.000 0.414 251 S N -0.331 115.535 115.700 0.276 0.000 2.607 251 S HA 0.904 5.375 4.470 0.001 0.000 0.273 251 S C -0.617 173.990 174.600 0.011 0.000 1.148 251 S CA -0.017 58.294 58.200 0.184 0.000 0.833 251 S CB 1.621 64.965 63.200 0.239 0.000 1.130 251 S HN 1.930 nan 8.310 nan 0.000 0.470 252 S N -0.688 114.956 115.700 -0.093 0.000 2.627 252 S HA 0.711 5.181 4.470 0.001 0.000 0.283 252 S C -1.056 173.347 174.600 -0.329 0.000 1.127 252 S CA -0.703 57.404 58.200 -0.155 0.000 0.863 252 S CB 0.927 64.100 63.200 -0.045 0.000 1.121 252 S HN 0.642 nan 8.310 nan 0.000 0.479 253 F N 1.497 121.393 119.950 -0.091 0.000 2.693 253 F HA 0.443 4.971 4.527 0.001 0.000 0.303 253 F C 1.164 176.847 175.800 -0.195 0.000 1.097 253 F CA 0.071 57.935 58.000 -0.226 0.000 1.330 253 F CB 0.173 39.017 39.000 -0.261 0.000 1.067 253 F HN 0.389 nan 8.300 nan 0.000 0.565 254 I N -1.767 118.837 120.570 0.055 0.000 3.345 254 I HA 0.105 4.276 4.170 0.001 0.000 0.258 254 I C 0.587 176.499 176.117 -0.342 0.000 1.134 254 I CA 0.293 61.576 61.300 -0.029 0.000 1.457 254 I CB 0.327 38.328 38.000 0.002 0.000 1.425 254 I HN 0.006 nan 8.210 nan 0.000 0.461 255 S N -1.533 113.806 115.700 -0.602 0.000 2.615 255 S HA 0.320 4.790 4.470 0.001 0.000 0.268 255 S C -0.017 174.110 174.600 -0.789 0.000 1.146 255 S CA -0.691 56.855 58.200 -1.089 0.000 0.818 255 S CB 0.638 63.532 63.200 -0.510 0.000 1.111 255 S HN 0.024 nan 8.310 nan 0.000 0.465 256 F N 1.849 121.451 119.950 -0.580 0.000 2.134 256 F HA 0.009 4.536 4.527 0.001 0.000 0.299 256 F C 2.575 178.295 175.800 -0.133 0.000 1.097 256 F CA 1.937 59.806 58.000 -0.219 0.000 1.264 256 F CB -0.833 38.087 39.000 -0.134 0.000 1.001 256 F HN 0.788 nan 8.300 nan 0.000 0.479 257 E N -0.346 119.878 120.200 0.040 0.000 2.070 257 E HA -0.334 4.017 4.350 0.001 0.000 0.197 257 E C 2.020 178.626 176.600 0.009 0.000 1.004 257 E CA 1.556 57.968 56.400 0.019 0.000 0.805 257 E CB -0.544 29.148 29.700 -0.014 0.000 0.744 257 E HN 0.336 nan 8.360 nan 0.000 0.451 258 Q N 1.133 120.911 119.800 -0.038 0.000 2.119 258 Q HA -0.065 4.276 4.340 0.001 0.000 0.201 258 Q C 2.059 178.071 176.000 0.020 0.000 0.972 258 Q CA 1.700 57.493 55.803 -0.016 0.000 0.847 258 Q CB -0.359 28.354 28.738 -0.042 0.000 0.903 258 Q HN 0.304 nan 8.270 nan 0.000 0.433 259 A N 0.302 123.137 122.820 0.025 0.000 1.908 259 A HA -0.099 4.222 4.320 0.001 0.000 0.218 259 A C 2.275 179.924 177.584 0.108 0.000 1.181 259 A CA 1.939 54.029 52.037 0.088 0.000 0.627 259 A CB -1.148 17.941 19.000 0.148 0.000 0.818 259 A HN 0.515 nan 8.150 nan 0.000 0.445 260 A N -0.399 122.481 122.820 0.100 0.000 1.969 260 A HA 0.237 4.558 4.320 0.001 0.000 0.218 260 A C 2.454 180.080 177.584 0.070 0.000 1.169 260 A CA 1.831 53.920 52.037 0.088 0.000 0.635 260 A CB -0.845 18.199 19.000 0.074 0.000 0.810 260 A HN 0.994 nan 8.150 nan 0.000 0.445 261 A N 0.556 123.411 122.820 0.059 0.000 1.898 261 A HA -0.176 4.145 4.320 0.001 0.000 0.216 261 A C 1.850 179.473 177.584 0.065 0.000 1.181 261 A CA 1.760 53.829 52.037 0.054 0.000 0.620 261 A CB -0.635 18.393 19.000 0.046 0.000 0.819 261 A HN 0.515 nan 8.150 nan 0.000 0.442 262 N N -0.663 118.080 118.700 0.072 0.000 2.205 262 N HA -0.183 4.558 4.740 0.001 0.000 0.186 262 N C 1.476 177.040 175.510 0.091 0.000 1.015 262 N CA 1.724 54.825 53.050 0.084 0.000 0.862 262 N CB -0.524 38.018 38.487 0.092 0.000 0.986 262 N HN 0.534 nan 8.380 nan 0.000 0.429 263 M N 0.922 120.578 119.600 0.093 0.000 2.337 263 M HA -0.097 4.384 4.480 0.001 0.000 0.261 263 M C 0.829 177.170 176.300 0.068 0.000 1.067 263 M CA 1.467 56.820 55.300 0.088 0.000 1.074 263 M CB -0.402 32.251 32.600 0.087 0.000 1.395 263 M HN 0.152 nan 8.290 nan 0.000 0.431 264 N N -0.396 118.342 118.700 0.063 0.000 2.512 264 N HA -0.109 4.631 4.740 0.001 0.000 0.183 264 N C 1.093 176.635 175.510 0.053 0.000 1.073 264 N CA 0.790 53.871 53.050 0.053 0.000 0.911 264 N CB -0.074 38.442 38.487 0.050 0.000 0.964 264 N HN 0.549 nan 8.380 nan 0.000 0.447 265 E N 0.736 120.973 120.200 0.061 0.000 2.209 265 E HA -0.153 4.198 4.350 0.001 0.000 0.196 265 E C 1.487 178.116 176.600 0.050 0.000 0.993 265 E CA 0.708 57.145 56.400 0.061 0.000 0.819 265 E CB -0.021 29.724 29.700 0.074 0.000 0.745 265 E HN 0.469 nan 8.360 nan 0.000 0.477 266 L N -0.184 121.065 121.223 0.044 0.000 2.313 266 L HA 0.017 4.357 4.340 0.001 0.000 0.214 266 L C 1.652 178.536 176.870 0.024 0.000 1.119 266 L CA 0.399 55.256 54.840 0.029 0.000 0.809 266 L CB -0.932 41.139 42.059 0.021 0.000 0.933 266 L HN 0.251 nan 8.230 nan 0.000 0.449 267 G N 0.854 109.672 108.800 0.030 0.000 2.611 267 G HA2 -0.352 3.609 3.960 0.001 0.000 0.301 267 G HA3 -0.352 3.609 3.960 0.001 0.000 0.301 267 G C 0.527 175.439 174.900 0.020 0.000 1.233 267 G CA 0.352 45.467 45.100 0.025 0.000 0.993 267 G HN 0.203 nan 8.290 nan 0.000 0.553 268 K N 1.750 122.159 120.400 0.015 0.000 2.514 268 K HA 0.274 4.595 4.320 0.001 0.000 0.207 268 K C 0.008 176.612 176.600 0.007 0.000 1.035 268 K CA -0.154 56.139 56.287 0.011 0.000 1.113 268 K CB 0.176 32.682 32.500 0.011 0.000 0.846 268 K HN 0.489 nan 8.250 nan 0.000 0.491 269 D N 2.089 122.493 120.400 0.006 0.000 2.362 269 D HA 0.000 4.641 4.640 0.001 0.000 0.242 269 D C 0.582 176.879 176.300 -0.005 0.000 1.132 269 D CA 0.130 54.130 54.000 0.001 0.000 0.907 269 D CB 0.700 41.501 40.800 0.003 0.000 1.195 269 D HN 0.188 nan 8.370 nan 0.000 0.429 270 N N 0.538 119.234 118.700 -0.007 0.000 2.538 270 N HA 0.133 4.874 4.740 0.001 0.000 0.292 270 N C 1.086 176.589 175.510 -0.011 0.000 1.262 270 N CA -0.586 52.458 53.050 -0.011 0.000 0.976 270 N CB 0.637 39.119 38.487 -0.008 0.000 1.161 270 N HN 0.121 nan 8.380 nan 0.000 0.598 271 I N -0.169 120.395 120.570 -0.011 0.000 2.151 271 I HA -0.230 3.940 4.170 0.001 0.000 0.243 271 I C 1.737 177.867 176.117 0.020 0.000 1.080 271 I CA 1.665 62.972 61.300 0.011 0.000 1.339 271 I CB -1.197 36.824 38.000 0.035 0.000 1.039 271 I HN 0.575 nan 8.210 nan 0.000 0.409 272 E N 0.778 120.972 120.200 -0.010 0.000 2.058 272 E HA -0.230 4.121 4.350 0.001 0.000 0.194 272 E C 2.241 178.822 176.600 -0.032 0.000 0.997 272 E CA 1.309 57.685 56.400 -0.040 0.000 0.801 272 E CB -0.338 29.334 29.700 -0.047 0.000 0.746 272 E HN 0.555 nan 8.360 nan 0.000 0.450 273 Q N -0.091 119.697 119.800 -0.020 0.000 2.079 273 Q HA -0.080 4.261 4.340 0.001 0.000 0.200 273 Q C 2.324 178.321 176.000 -0.005 0.000 0.974 273 Q CA 1.004 56.797 55.803 -0.017 0.000 0.840 273 Q CB -0.162 28.569 28.738 -0.012 0.000 0.898 273 Q HN 0.267 nan 8.270 nan 0.000 0.430 274 L N 0.357 121.586 121.223 0.010 0.000 2.027 274 L HA -0.162 4.178 4.340 0.001 0.000 0.206 274 L C 2.599 179.510 176.870 0.069 0.000 1.074 274 L CA 0.885 55.743 54.840 0.031 0.000 0.745 274 L CB -0.696 41.376 42.059 0.022 0.000 0.898 274 L HN 0.224 nan 8.230 nan 0.000 0.433 275 A N -0.247 122.632 122.820 0.098 0.000 1.892 275 A HA -0.341 3.979 4.320 0.001 0.000 0.218 275 A C 2.217 179.795 177.584 -0.011 0.000 1.188 275 A CA 2.255 54.405 52.037 0.189 0.000 0.631 275 A CB -0.671 18.412 19.000 0.138 0.000 0.822 275 A HN 0.415 nan 8.150 nan 0.000 0.447 276 Q N 0.021 119.780 119.800 -0.070 0.000 2.096 276 Q HA -0.146 4.194 4.340 0.001 0.000 0.204 276 Q C 1.936 177.868 176.000 -0.113 0.000 0.982 276 Q CA 2.254 57.975 55.803 -0.136 0.000 0.850 276 Q CB -0.299 28.383 28.738 -0.093 0.000 0.901 276 Q HN 0.715 nan 8.270 nan 0.000 0.422 277 K N -1.222 119.152 120.400 -0.043 0.000 2.097 277 K HA -0.030 4.291 4.320 0.001 0.000 0.205 277 K C 2.003 178.607 176.600 0.006 0.000 1.050 277 K CA 1.033 57.312 56.287 -0.014 0.000 0.938 277 K CB -0.382 32.125 32.500 0.012 0.000 0.718 277 K HN 0.376 nan 8.250 nan 0.000 0.442 278 G N 1.947 110.779 108.800 0.053 0.000 2.421 278 G HA2 -0.282 3.678 3.960 0.001 0.000 0.216 278 G HA3 -0.282 3.678 3.960 0.001 0.000 0.216 278 G C 1.459 176.438 174.900 0.131 0.000 1.171 278 G CA 0.718 45.923 45.100 0.175 0.000 0.775 278 G HN 0.215 nan 8.290 nan 0.000 0.543 279 K N 0.245 120.472 120.400 -0.289 0.000 2.009 279 K HA -0.159 4.162 4.320 0.001 0.000 0.210 279 K C 2.115 178.644 176.600 -0.118 0.000 1.049 279 K CA 1.756 57.713 56.287 -0.549 0.000 0.929 279 K CB -0.175 31.732 32.500 -0.988 0.000 0.714 279 K HN 0.117 nan 8.250 nan 0.000 0.440 280 D N 0.240 120.580 120.400 -0.099 0.000 2.123 280 D HA -0.180 4.460 4.640 0.001 0.000 0.196 280 D C 1.774 178.091 176.300 0.029 0.000 0.992 280 D CA 1.488 55.475 54.000 -0.022 0.000 0.833 280 D CB -0.324 40.458 40.800 -0.029 0.000 0.954 280 D HN 0.386 nan 8.370 nan 0.000 0.455 281 A N -0.024 122.805 122.820 0.015 0.000 1.902 281 A HA -0.165 4.156 4.320 0.001 0.000 0.217 281 A C 2.209 179.739 177.584 -0.090 0.000 1.181 281 A CA 1.295 53.304 52.037 -0.048 0.000 0.623 281 A CB -1.160 17.779 19.000 -0.101 0.000 0.818 281 A HN 0.306 nan 8.150 nan 0.000 0.443 282 W N -0.092 121.230 121.300 0.037 0.000 2.409 282 W HA -0.050 4.611 4.660 0.001 0.000 0.299 282 W C 2.221 178.792 176.519 0.088 0.000 1.203 282 W CA 1.279 58.658 57.345 0.057 0.000 1.298 282 W CB -0.382 29.131 29.460 0.088 0.000 1.127 282 W HN 0.414 nan 8.180 nan 0.000 0.528 283 N N 0.004 118.896 118.700 0.321 0.000 2.289 283 N HA -0.268 4.472 4.740 0.001 0.000 0.184 283 N C 1.661 177.325 175.510 0.256 0.000 1.016 283 N CA 1.384 54.635 53.050 0.334 0.000 0.872 283 N CB -0.257 38.393 38.487 0.271 0.000 0.973 283 N HN 0.183 nan 8.380 nan 0.000 0.433 284 Q N 1.083 120.979 119.800 0.161 0.000 2.124 284 Q HA -0.121 4.220 4.340 0.001 0.000 0.202 284 Q C 1.773 177.846 176.000 0.121 0.000 0.977 284 Q CA 1.717 57.587 55.803 0.111 0.000 0.850 284 Q CB 0.031 28.813 28.738 0.073 0.000 0.901 284 Q HN 0.363 nan 8.270 nan 0.000 0.429 285 V N -2.529 117.467 119.914 0.138 0.000 2.685 285 V HA 0.071 4.192 4.120 0.001 0.000 0.244 285 V C 2.195 178.438 176.094 0.247 0.000 1.054 285 V CA 0.732 63.168 62.300 0.226 0.000 1.076 285 V CB -0.690 31.176 31.823 0.072 0.000 0.725 285 V HN 0.316 nan 8.190 nan 0.000 0.467 286 L N 1.728 123.082 121.223 0.218 0.000 2.083 286 L HA 0.033 4.373 4.340 0.001 0.000 0.209 286 L C 2.679 179.432 176.870 -0.195 0.000 1.083 286 L CA 1.706 56.653 54.840 0.177 0.000 0.752 286 L CB -1.064 41.161 42.059 0.276 0.000 0.899 286 L HN 0.523 nan 8.230 nan 0.000 0.433 287 G N -0.581 108.006 108.800 -0.355 0.000 2.679 287 G HA2 -0.150 3.811 3.960 0.001 0.000 0.212 287 G HA3 -0.150 3.811 3.960 0.001 0.000 0.212 287 G C 1.532 176.188 174.900 -0.407 0.000 1.137 287 G CA 0.051 44.598 45.100 -0.922 0.000 0.787 287 G HN 0.134 nan 8.290 nan 0.000 0.534 288 K N 0.077 120.391 120.400 -0.142 0.000 2.362 288 K HA 0.101 4.422 4.320 0.001 0.000 0.200 288 K C 0.578 177.103 176.600 -0.124 0.000 1.046 288 K CA 0.421 56.671 56.287 -0.062 0.000 0.952 288 K CB 0.181 32.623 32.500 -0.097 0.000 0.753 288 K HN 0.376 nan 8.250 nan 0.000 0.466 289 I N 1.934 122.417 120.570 -0.145 0.000 2.493 289 I HA 0.154 4.324 4.170 0.001 0.000 0.279 289 I C -0.687 175.337 176.117 -0.156 0.000 1.045 289 I CA -0.431 60.792 61.300 -0.128 0.000 1.106 289 I CB 1.520 39.536 38.000 0.028 0.000 1.216 289 I HN -0.139 nan 8.210 nan 0.000 0.459 290 E N 5.746 125.833 120.200 -0.189 0.000 2.197 290 E HA 0.511 4.862 4.350 0.001 0.000 0.281 290 E C -0.642 175.853 176.600 -0.175 0.000 0.995 290 E CA -0.713 55.638 56.400 -0.082 0.000 0.808 290 E CB 2.690 32.444 29.700 0.090 0.000 1.093 290 E HN 0.424 nan 8.360 nan 0.000 0.394 291 V N -0.137 119.627 119.914 -0.250 0.000 2.769 291 V HA 0.640 4.760 4.120 0.001 0.000 0.312 291 V C -0.560 175.334 176.094 -0.333 0.000 1.061 291 V CA -0.743 61.208 62.300 -0.582 0.000 0.931 291 V CB 1.754 32.633 31.823 -1.574 0.000 1.010 291 V HN 0.710 nan 8.190 nan 0.000 0.433 292 E N 1.784 121.887 120.200 -0.161 0.000 2.446 292 E HA 0.718 5.069 4.350 0.001 0.000 0.276 292 E C 0.179 176.924 176.600 0.241 0.000 0.969 292 E CA -0.822 55.625 56.400 0.079 0.000 0.800 292 E CB 1.888 31.620 29.700 0.053 0.000 1.341 292 E HN 1.700 nan 8.360 nan 0.000 0.460 293 G N 0.007 108.984 108.800 0.295 0.000 2.289 293 G HA2 -0.019 3.942 3.960 0.001 0.000 0.280 293 G HA3 -0.019 3.942 3.960 0.001 0.000 0.280 293 G C 0.041 175.081 174.900 0.233 0.000 1.089 293 G CA 0.058 45.288 45.100 0.217 0.000 0.939 293 G HN 0.758 nan 8.290 nan 0.000 0.499 294 G N -0.584 108.345 108.800 0.215 0.000 2.766 294 G HA2 0.801 4.761 3.960 0.001 0.000 0.288 294 G HA3 0.801 4.761 3.960 0.001 0.000 0.288 294 G C -0.313 174.355 174.900 -0.387 0.000 1.408 294 G CA -0.046 45.017 45.100 -0.061 0.000 0.852 294 G HN 1.046 nan 8.290 nan 0.000 0.487 295 N N -1.193 117.269 118.700 -0.397 0.000 2.458 295 N HA 0.330 5.071 4.740 0.001 0.000 0.271 295 N C 1.121 176.346 175.510 -0.476 0.000 1.210 295 N CA -0.803 52.050 53.050 -0.328 0.000 0.978 295 N CB 1.361 39.751 38.487 -0.161 0.000 1.206 295 N HN 0.360 nan 8.380 nan 0.000 0.536 296 L N -0.100 121.013 121.223 -0.183 0.000 2.083 296 L HA -0.097 4.244 4.340 0.001 0.000 0.209 296 L C 0.984 177.871 176.870 0.028 0.000 1.083 296 L CA 1.871 56.715 54.840 0.008 0.000 0.752 296 L CB -0.975 41.167 42.059 0.138 0.000 0.899 296 L HN 0.599 nan 8.230 nan 0.000 0.433 297 D N -0.631 119.762 120.400 -0.012 0.000 2.123 297 D HA -0.223 4.417 4.640 0.001 0.000 0.196 297 D C 2.174 178.499 176.300 0.042 0.000 0.992 297 D CA 1.529 55.541 54.000 0.020 0.000 0.833 297 D CB -0.101 40.695 40.800 -0.007 0.000 0.954 297 D HN 0.557 nan 8.370 nan 0.000 0.455 298 Q N -0.709 119.080 119.800 -0.019 0.000 2.079 298 Q HA -0.153 4.187 4.340 0.001 0.000 0.200 298 Q C 2.162 178.361 176.000 0.331 0.000 0.974 298 Q CA 0.848 56.708 55.803 0.096 0.000 0.840 298 Q CB -0.197 28.481 28.738 -0.099 0.000 0.898 298 Q HN 0.367 nan 8.270 nan 0.000 0.430 299 Y N 1.040 121.455 120.300 0.193 0.000 2.114 299 Y HA -0.222 4.328 4.550 0.001 0.000 0.282 299 Y C 2.343 178.337 175.900 0.158 0.000 1.165 299 Y CA 1.174 59.276 58.100 0.002 0.000 1.148 299 Y CB -0.562 37.569 38.460 -0.548 0.000 0.972 299 Y HN 0.046 nan 8.280 nan 0.000 0.504 300 R N -0.780 119.918 120.500 0.330 0.000 2.073 300 R HA -0.124 4.217 4.340 0.001 0.000 0.234 300 R C 2.210 178.650 176.300 0.232 0.000 1.134 300 R CA 1.983 58.282 56.100 0.331 0.000 0.952 300 R CB -0.779 29.669 30.300 0.247 0.000 0.850 300 R HN 0.274 nan 8.270 nan 0.000 0.433 301 T N 0.893 115.533 114.554 0.143 0.000 2.720 301 T HA -0.186 4.165 4.350 0.001 0.000 0.268 301 T C 1.419 176.117 174.700 -0.003 0.000 1.037 301 T CA 1.434 63.508 62.100 -0.044 0.000 1.144 301 T CB -0.337 68.416 68.868 -0.193 0.000 0.864 301 T HN 0.180 nan 8.240 nan 0.000 0.444 302 F N 0.679 120.701 119.950 0.120 0.000 2.113 302 F HA -0.064 4.464 4.527 0.001 0.000 0.297 302 F C 1.980 177.752 175.800 -0.045 0.000 1.103 302 F CA 1.077 59.162 58.000 0.142 0.000 1.248 302 F CB -0.327 38.732 39.000 0.098 0.000 0.999 302 F HN 0.100 nan 8.300 nan 0.000 0.475 303 Y N -0.049 120.459 120.300 0.346 0.000 2.373 303 Y HA -0.098 4.453 4.550 0.001 0.000 0.293 303 Y C 2.714 178.708 175.900 0.156 0.000 1.129 303 Y CA 1.215 59.459 58.100 0.240 0.000 1.226 303 Y CB -1.016 37.688 38.460 0.406 0.000 1.000 303 Y HN 0.004 nan 8.280 nan 0.000 0.549 304 S N -0.939 114.918 115.700 0.263 0.000 2.356 304 S HA -0.222 4.249 4.470 0.001 0.000 0.223 304 S C 2.268 177.007 174.600 0.233 0.000 1.032 304 S CA 1.445 59.779 58.200 0.223 0.000 1.005 304 S CB -0.888 62.395 63.200 0.138 0.000 0.867 304 S HN 0.534 nan 8.310 nan 0.000 0.449 305 C N 1.078 120.434 119.300 0.094 0.000 2.413 305 C HA -0.035 4.426 4.460 0.001 0.000 0.276 305 C C 2.535 177.549 174.990 0.040 0.000 1.248 305 C CA 0.632 59.707 59.018 0.095 0.000 1.742 305 C CB -1.331 26.414 27.740 0.008 0.000 2.017 305 C HN 0.518 nan 8.230 nan 0.000 0.481 306 L N 0.372 121.552 121.223 -0.072 0.000 2.046 306 L HA -0.131 4.209 4.340 0.001 0.000 0.208 306 L C 2.322 179.255 176.870 0.104 0.000 1.077 306 L CA 2.029 56.836 54.840 -0.056 0.000 0.747 306 L CB -1.302 40.685 42.059 -0.120 0.000 0.896 306 L HN 0.571 nan 8.230 nan 0.000 0.432 307 Y N 0.077 120.405 120.300 0.045 0.000 2.181 307 Y HA -0.196 4.354 4.550 0.001 0.000 0.288 307 Y C 2.305 178.208 175.900 0.005 0.000 1.146 307 Y CA 1.545 59.645 58.100 0.001 0.000 1.164 307 Y CB -0.300 38.028 38.460 -0.221 0.000 0.982 307 Y HN 0.066 nan 8.280 nan 0.000 0.515 308 R N 0.271 120.609 120.500 -0.271 0.000 2.285 308 R HA -0.000 4.340 4.340 0.001 0.000 0.213 308 R C 1.681 177.927 176.300 -0.089 0.000 1.068 308 R CA 0.986 56.906 56.100 -0.299 0.000 1.004 308 R CB -0.576 29.708 30.300 -0.027 0.000 0.873 308 R HN 0.356 nan 8.270 nan 0.000 0.467 309 S N 0.311 115.988 115.700 -0.039 0.000 2.556 309 S HA 0.217 4.688 4.470 0.001 0.000 0.216 309 S C 1.180 175.759 174.600 -0.036 0.000 0.970 309 S CA 0.049 58.262 58.200 0.022 0.000 0.912 309 S CB 0.348 63.578 63.200 0.050 0.000 0.790 309 S HN 0.180 nan 8.310 nan 0.000 0.504 310 L N 0.771 121.868 121.223 -0.210 0.000 3.202 310 L HA 0.411 4.752 4.340 0.001 0.000 0.278 310 L C 0.704 177.024 176.870 -0.917 0.000 1.268 310 L CA 0.145 54.582 54.840 -0.671 0.000 1.034 310 L CB 0.128 41.684 42.059 -0.839 0.000 1.407 310 L HN 0.226 nan 8.230 nan 0.000 0.581 311 L N -1.322 119.680 121.223 -0.369 0.000 2.433 311 L HA 0.295 4.636 4.340 0.001 0.000 0.200 311 L C 0.403 177.210 176.870 -0.105 0.000 1.059 311 L CA 0.511 55.158 54.840 -0.322 0.000 0.835 311 L CB 0.227 42.023 42.059 -0.439 0.000 1.076 311 L HN 0.051 nan 8.230 nan 0.000 0.481 312 F N 0.057 120.182 119.950 0.293 0.000 2.525 312 F HA 0.429 4.957 4.527 0.001 0.000 0.346 312 F C -1.772 174.236 175.800 0.346 0.000 1.072 312 F CA -2.558 55.656 58.000 0.356 0.000 1.033 312 F CB -0.389 38.767 39.000 0.260 0.000 1.324 312 F HN -0.215 nan 8.300 nan 0.000 0.491 313 P HA -0.130 nan 4.420 nan 0.000 0.266 313 P C -0.883 176.818 177.300 0.669 0.000 1.162 313 P CA 0.213 63.676 63.100 0.604 0.000 0.758 313 P CB 0.428 32.456 31.700 0.546 0.000 0.774 314 R N 2.234 123.052 120.500 0.530 0.000 2.560 314 R HA 0.368 4.709 4.340 0.001 0.000 0.270 314 R C -0.044 176.441 176.300 0.308 0.000 1.074 314 R CA -0.868 55.471 56.100 0.399 0.000 1.140 314 R CB 0.732 31.120 30.300 0.147 0.000 1.073 314 R HN 0.300 nan 8.270 nan 0.000 0.527 315 K N 1.316 121.736 120.400 0.033 0.000 2.368 315 K HA 0.037 4.358 4.320 0.001 0.000 0.282 315 K C -0.616 175.903 176.600 -0.135 0.000 1.035 315 K CA 0.113 56.091 56.287 -0.515 0.000 0.973 315 K CB 0.437 32.614 32.500 -0.538 0.000 0.957 315 K HN 0.489 nan 8.250 nan 0.000 0.474 316 F N 3.903 123.688 119.950 -0.275 0.000 2.805 316 F HA 0.165 4.693 4.527 0.001 0.000 0.317 316 F C -0.856 175.010 175.800 0.110 0.000 1.146 316 F CA -0.731 57.250 58.000 -0.032 0.000 1.265 316 F CB 0.373 39.364 39.000 -0.015 0.000 0.992 316 F HN 0.464 nan 8.300 nan 0.000 0.511 317 Y N -1.152 119.165 120.300 0.027 0.000 2.587 317 Y HA 0.820 5.371 4.550 0.001 0.000 0.337 317 Y C -0.781 175.170 175.900 0.084 0.000 1.065 317 Y CA -1.458 56.704 58.100 0.102 0.000 1.126 317 Y CB 0.868 39.405 38.460 0.129 0.000 1.279 317 Y HN 0.022 nan 8.280 nan 0.000 0.489 318 E N 1.617 121.980 120.200 0.272 0.000 2.343 318 E HA 0.419 4.769 4.350 0.001 0.000 0.270 318 E C -1.734 174.997 176.600 0.218 0.000 0.895 318 E CA -1.247 55.248 56.400 0.158 0.000 0.767 318 E CB 2.484 32.247 29.700 0.105 0.000 1.248 318 E HN 0.395 nan 8.360 nan 0.000 0.440 319 L N 2.922 124.245 121.223 0.167 0.000 2.305 319 L HA 0.182 4.523 4.340 0.001 0.000 0.281 319 L C 0.249 177.177 176.870 0.095 0.000 1.085 319 L CA -0.043 54.886 54.840 0.148 0.000 0.813 319 L CB 0.187 42.330 42.059 0.140 0.000 1.157 319 L HN 0.614 nan 8.230 nan 0.000 0.436 320 D N 2.241 122.685 120.400 0.074 0.000 2.478 320 D HA 0.295 4.935 4.640 0.001 0.000 0.274 320 D C 1.045 177.371 176.300 0.043 0.000 1.234 320 D CA 0.065 54.095 54.000 0.049 0.000 1.069 320 D CB 0.425 41.244 40.800 0.033 0.000 1.113 320 D HN 0.439 nan 8.370 nan 0.000 0.571 321 A N -0.377 122.462 122.820 0.032 0.000 1.978 321 A HA -0.203 4.117 4.320 0.001 0.000 0.220 321 A C 1.529 179.132 177.584 0.031 0.000 1.170 321 A CA 1.349 53.404 52.037 0.029 0.000 0.636 321 A CB -0.763 18.249 19.000 0.021 0.000 0.810 321 A HN 0.570 nan 8.150 nan 0.000 0.448 322 N N -0.749 117.969 118.700 0.029 0.000 2.314 322 N HA 0.194 4.935 4.740 0.001 0.000 0.200 322 N C 1.036 176.568 175.510 0.037 0.000 1.135 322 N CA 0.869 53.936 53.050 0.029 0.000 0.835 322 N CB 0.328 38.828 38.487 0.021 0.000 0.989 322 N HN 0.611 nan 8.380 nan 0.000 0.478 323 G N 0.695 109.524 108.800 0.048 0.000 2.168 323 G HA2 -0.268 3.693 3.960 0.001 0.000 0.257 323 G HA3 -0.268 3.693 3.960 0.001 0.000 0.257 323 G C -0.042 174.895 174.900 0.062 0.000 0.997 323 G CA 0.120 45.259 45.100 0.064 0.000 0.708 323 G HN 0.225 nan 8.290 nan 0.000 0.520 324 Q N 0.463 120.286 119.800 0.038 0.000 2.259 324 Q HA 0.421 4.761 4.340 0.001 0.000 0.249 324 Q C -2.107 173.892 176.000 -0.001 0.000 0.914 324 Q CA -2.272 53.533 55.803 0.003 0.000 0.904 324 Q CB 1.331 30.061 28.738 -0.012 0.000 1.213 324 Q HN 0.328 nan 8.270 nan 0.000 0.428 325 P HA 0.198 nan 4.420 nan 0.000 0.271 325 P C -0.440 176.838 177.300 -0.037 0.000 1.216 325 P CA 0.093 63.129 63.100 -0.106 0.000 0.771 325 P CB 0.505 31.796 31.700 -0.682 0.000 0.864 326 I N 0.311 120.948 120.570 0.113 0.000 3.191 326 I HA 0.682 4.852 4.170 0.001 0.000 0.313 326 I C -0.818 175.450 176.117 0.253 0.000 1.193 326 I CA -1.110 60.254 61.300 0.107 0.000 0.968 326 I CB 2.724 40.744 38.000 0.034 0.000 1.262 326 I HN 0.423 nan 8.210 nan 0.000 0.456 327 H N 0.856 120.016 119.070 0.150 0.000 3.046 327 H HA 0.322 4.879 4.556 0.001 0.000 0.361 327 H C -2.252 173.219 175.328 0.237 0.000 1.235 327 H CA -0.768 55.406 56.048 0.211 0.000 1.146 327 H CB 1.310 31.238 29.762 0.277 0.000 1.859 327 H HN 0.807 nan 8.280 nan 0.000 0.548 328 Y N 2.001 122.434 120.300 0.221 0.000 2.377 328 Y HA 0.246 4.796 4.550 0.001 0.000 0.330 328 Y C 0.188 176.324 175.900 0.393 0.000 1.108 328 Y CA -0.030 58.201 58.100 0.218 0.000 1.308 328 Y CB 1.040 39.637 38.460 0.228 0.000 1.216 328 Y HN 0.653 nan 8.280 nan 0.000 0.518 329 S N 8.318 123.850 115.700 -0.280 0.000 2.416 329 S HA 0.279 4.750 4.470 0.001 0.000 0.287 329 S C -1.853 172.356 174.600 -0.651 0.000 1.139 329 S CA -1.549 56.544 58.200 -0.178 0.000 1.058 329 S CB 0.521 63.700 63.200 -0.035 0.000 0.967 329 S HN 0.649 nan 8.310 nan 0.000 0.495 330 P HA 0.069 nan 4.420 nan 0.000 0.242 330 P C -0.102 176.773 177.300 -0.707 0.000 1.197 330 P CA 0.579 63.285 63.100 -0.657 0.000 0.765 330 P CB -0.066 31.088 31.700 -0.909 0.000 0.936 331 Y N 0.599 120.748 120.300 -0.252 0.000 2.500 331 Y HA 0.085 4.635 4.550 0.001 0.000 0.284 331 Y C 1.767 177.603 175.900 -0.107 0.000 1.118 331 Y CA 0.929 58.918 58.100 -0.186 0.000 1.241 331 Y CB -0.520 37.839 38.460 -0.169 0.000 1.171 331 Y HN 0.084 nan 8.280 nan 0.000 0.540 332 N N -1.612 117.095 118.700 0.012 0.000 2.118 332 N HA 0.199 4.940 4.740 0.001 0.000 0.226 332 N C 1.222 176.705 175.510 -0.045 0.000 1.305 332 N CA 0.530 53.581 53.050 0.002 0.000 0.890 332 N CB 0.615 39.117 38.487 0.024 0.000 1.118 332 N HN 0.219 nan 8.380 nan 0.000 0.511 333 G N -0.002 108.691 108.800 -0.178 0.000 2.168 333 G HA2 -0.348 3.613 3.960 0.001 0.000 0.263 333 G HA3 -0.348 3.613 3.960 0.001 0.000 0.263 333 G C -0.251 174.657 174.900 0.013 0.000 0.977 333 G CA 0.737 45.755 45.100 -0.136 0.000 0.659 333 G HN 0.549 nan 8.290 nan 0.000 0.533 334 Q N -0.772 119.004 119.800 -0.039 0.000 2.256 334 Q HA 0.613 4.953 4.340 0.001 0.000 0.232 334 Q C 0.040 176.051 176.000 0.019 0.000 0.965 334 Q CA -0.690 55.125 55.803 0.019 0.000 0.908 334 Q CB 1.988 30.722 28.738 -0.006 0.000 1.209 334 Q HN 0.168 nan 8.270 nan 0.000 0.489 335 V N 2.625 122.561 119.914 0.036 0.000 2.370 335 V HA 0.405 4.525 4.120 0.001 0.000 0.279 335 V C -0.278 175.749 176.094 -0.112 0.000 1.029 335 V CA -0.339 61.961 62.300 -0.000 0.000 0.870 335 V CB 0.506 32.357 31.823 0.047 0.000 0.984 335 V HN 0.508 nan 8.190 nan 0.000 0.451 336 L N 6.585 127.627 121.223 -0.301 0.000 2.350 336 L HA 0.645 4.985 4.340 0.001 0.000 0.260 336 L C -2.503 174.165 176.870 -0.337 0.000 1.015 336 L CA -2.078 52.581 54.840 -0.302 0.000 0.821 336 L CB 3.059 44.958 42.059 -0.267 0.000 1.370 336 L HN 0.379 nan 8.230 nan 0.000 0.416 337 P HA 0.335 nan 4.420 nan 0.000 0.274 337 P C -0.098 177.237 177.300 0.058 0.000 1.231 337 P CA 0.300 63.372 63.100 -0.046 0.000 0.790 337 P CB 1.204 32.887 31.700 -0.028 0.000 0.951 338 G N 0.468 109.278 108.800 0.016 0.000 2.663 338 G HA2 -0.112 3.849 3.960 0.001 0.000 0.686 338 G HA3 -0.112 3.849 3.960 0.001 0.000 0.686 338 G C -1.267 173.616 174.900 -0.029 0.000 1.288 338 G CA -0.964 44.103 45.100 -0.054 0.000 0.836 338 G HN 0.314 nan 8.290 nan 0.000 0.584 339 Y N -0.869 119.433 120.300 0.002 0.000 2.426 339 Y HA 0.610 5.161 4.550 0.001 0.000 0.344 339 Y C 1.018 176.877 175.900 -0.068 0.000 1.256 339 Y CA 0.712 58.760 58.100 -0.087 0.000 1.451 339 Y CB 1.163 39.629 38.460 0.010 0.000 1.342 339 Y HN 0.868 nan 8.280 nan 0.000 0.600 340 M N 2.479 122.230 119.600 0.250 0.000 2.333 340 M HA 0.520 5.001 4.480 0.001 0.000 0.286 340 M C -2.438 174.074 176.300 0.352 0.000 1.113 340 M CA -0.600 54.804 55.300 0.174 0.000 0.959 340 M CB 1.038 33.490 32.600 -0.246 0.000 1.776 340 M HN 0.384 nan 8.290 nan 0.000 0.492 341 F N 1.006 121.120 119.950 0.273 0.000 2.620 341 F HA 0.943 5.470 4.527 0.001 0.000 0.320 341 F C 0.265 176.171 175.800 0.178 0.000 1.069 341 F CA -0.387 57.788 58.000 0.291 0.000 0.953 341 F CB 2.541 41.712 39.000 0.285 0.000 1.322 341 F HN 0.661 nan 8.300 nan 0.000 0.479 342 T N -1.032 113.735 114.554 0.354 0.000 2.661 342 T HA 0.351 4.702 4.350 0.001 0.000 0.305 342 T C -2.029 172.840 174.700 0.282 0.000 1.441 342 T CA -0.499 61.695 62.100 0.157 0.000 0.999 342 T CB 0.984 69.717 68.868 -0.225 0.000 1.650 342 T HN 0.618 nan 8.240 nan 0.000 0.489 343 D N 0.786 121.334 120.400 0.247 0.000 2.760 343 D HA -0.093 4.547 4.640 0.001 0.000 0.244 343 D C -0.531 175.961 176.300 0.320 0.000 1.096 343 D CA 1.516 55.764 54.000 0.414 0.000 0.716 343 D CB -1.313 39.835 40.800 0.580 0.000 1.075 343 D HN 0.624 nan 8.370 nan 0.000 0.434 344 T N -1.247 113.289 114.554 -0.030 0.000 2.894 344 T HA 0.632 4.983 4.350 0.001 0.000 0.309 344 T C -0.426 173.534 174.700 -1.233 0.000 1.208 344 T CA 0.022 61.901 62.100 -0.368 0.000 1.016 344 T CB 1.796 70.704 68.868 0.067 0.000 1.192 344 T HN 0.155 nan 8.240 nan 0.000 0.491 345 G N 2.391 110.276 108.800 -1.525 0.000 2.437 345 G HA2 0.541 4.501 3.960 0.001 0.000 0.315 345 G HA3 0.541 4.501 3.960 0.001 0.000 0.315 345 G C 0.343 174.988 174.900 -0.426 0.000 1.210 345 G CA -0.520 43.481 45.100 -1.832 0.000 0.943 345 G HN 0.603 nan 8.290 nan 0.000 0.471 346 F N 1.078 120.927 119.950 -0.168 0.000 2.293 346 F HA 0.069 4.597 4.527 0.001 0.000 0.300 346 F C 2.010 177.991 175.800 0.301 0.000 1.086 346 F CA -0.258 57.792 58.000 0.083 0.000 1.375 346 F CB -0.346 38.682 39.000 0.047 0.000 1.045 346 F HN 0.756 nan 8.300 nan 0.000 0.516 347 W N 1.567 123.059 121.300 0.319 0.000 2.350 347 W HA -0.219 4.441 4.660 0.001 0.000 0.289 347 W C 1.825 178.523 176.519 0.297 0.000 1.215 347 W CA 1.910 59.489 57.345 0.391 0.000 1.236 347 W CB -0.172 29.482 29.460 0.322 0.000 1.130 347 W HN -0.102 nan 8.180 nan 0.000 0.541 348 D N -1.398 119.191 120.400 0.316 0.000 2.197 348 D HA -0.093 4.548 4.640 0.001 0.000 0.212 348 D C 2.146 178.422 176.300 -0.039 0.000 0.963 348 D CA 2.391 56.440 54.000 0.081 0.000 0.864 348 D CB -0.623 40.313 40.800 0.226 0.000 1.009 348 D HN 0.235 nan 8.370 nan 0.000 0.479 349 T N -1.012 113.631 114.554 0.149 0.000 3.086 349 T HA 0.029 4.380 4.350 0.001 0.000 0.250 349 T C 1.874 176.746 174.700 0.288 0.000 1.074 349 T CA -0.301 61.944 62.100 0.243 0.000 0.988 349 T CB -0.645 68.483 68.868 0.433 0.000 0.988 349 T HN 0.200 nan 8.240 nan 0.000 0.530 350 F N 2.478 122.514 119.950 0.142 0.000 2.234 350 F HA 0.181 4.709 4.527 0.001 0.000 0.299 350 F C 2.257 178.032 175.800 -0.042 0.000 1.087 350 F CA 0.053 58.049 58.000 -0.006 0.000 1.340 350 F CB -0.428 38.506 39.000 -0.110 0.000 1.031 350 F HN -0.061 nan 8.300 nan 0.000 0.500 351 R N 0.560 120.464 120.500 -0.994 0.000 2.080 351 R HA -0.130 4.211 4.340 0.001 0.000 0.236 351 R C 1.948 178.053 176.300 -0.325 0.000 1.137 351 R CA 2.032 57.641 56.100 -0.818 0.000 0.943 351 R CB -0.954 28.910 30.300 -0.725 0.000 0.846 351 R HN 0.667 nan 8.270 nan 0.000 0.431 352 C N -2.902 116.325 119.300 -0.121 0.000 4.403 352 C HA 0.331 4.791 4.460 0.001 0.000 0.408 352 C C 1.918 177.044 174.990 0.225 0.000 1.714 352 C CA -0.831 58.155 59.018 -0.054 0.000 2.002 352 C CB -0.544 27.084 27.740 -0.188 0.000 3.129 352 C HN 0.356 nan 8.230 nan 0.000 0.662 353 L N 0.979 122.323 121.223 0.200 0.000 2.005 353 L HA 0.132 4.473 4.340 0.001 0.000 0.207 353 L C 2.160 179.117 176.870 0.144 0.000 1.072 353 L CA 2.289 57.238 54.840 0.182 0.000 0.744 353 L CB -1.081 41.054 42.059 0.127 0.000 0.895 353 L HN 0.372 nan 8.230 nan 0.000 0.433 354 F N 0.562 120.605 119.950 0.155 0.000 2.163 354 F HA -0.035 4.493 4.527 0.001 0.000 0.297 354 F C -0.269 175.626 175.800 0.159 0.000 1.094 354 F CA 1.194 59.273 58.000 0.131 0.000 1.290 354 F CB -1.760 37.267 39.000 0.045 0.000 1.017 354 F HN 0.169 nan 8.300 nan 0.000 0.483 355 P HA -0.212 nan 4.420 nan 0.000 0.216 355 P C 1.884 179.485 177.300 0.501 0.000 1.150 355 P CA 1.222 64.512 63.100 0.315 0.000 0.843 355 P CB -0.040 31.752 31.700 0.153 0.000 0.787 356 L N -1.127 120.414 121.223 0.530 0.000 2.093 356 L HA -0.116 4.225 4.340 0.001 0.000 0.208 356 L C 2.096 179.183 176.870 0.363 0.000 1.085 356 L CA 1.676 56.753 54.840 0.394 0.000 0.755 356 L CB -1.229 40.942 42.059 0.188 0.000 0.904 356 L HN -0.111 nan 8.230 nan 0.000 0.435 357 L N -0.657 120.767 121.223 0.336 0.000 2.046 357 L HA -0.229 4.112 4.340 0.001 0.000 0.208 357 L C 2.129 179.199 176.870 0.333 0.000 1.077 357 L CA 1.846 56.900 54.840 0.356 0.000 0.747 357 L CB -0.799 41.357 42.059 0.162 0.000 0.896 357 L HN 0.411 nan 8.230 nan 0.000 0.432 358 N N -0.281 118.610 118.700 0.318 0.000 2.244 358 N HA -0.184 4.557 4.740 0.001 0.000 0.183 358 N C 1.709 177.499 175.510 0.466 0.000 1.016 358 N CA 0.566 53.800 53.050 0.307 0.000 0.866 358 N CB 0.041 38.653 38.487 0.209 0.000 0.980 358 N HN 0.140 nan 8.380 nan 0.000 0.430 359 L N 0.072 121.589 121.223 0.490 0.000 2.049 359 L HA 0.080 4.421 4.340 0.001 0.000 0.203 359 L C 1.551 178.706 176.870 0.475 0.000 1.074 359 L CA 1.626 56.782 54.840 0.526 0.000 0.749 359 L CB -0.027 42.294 42.059 0.435 0.000 0.907 359 L HN 0.142 nan 8.230 nan 0.000 0.439 360 M N -2.252 117.460 119.600 0.188 0.000 2.379 360 M HA 0.189 4.670 4.480 0.001 0.000 0.265 360 M C -0.207 175.751 176.300 -0.570 0.000 1.095 360 M CA 0.492 55.650 55.300 -0.237 0.000 1.075 360 M CB 0.060 32.293 32.600 -0.612 0.000 1.443 360 M HN 0.145 nan 8.290 nan 0.000 0.519 361 Y N -0.420 120.003 120.300 0.205 0.000 2.555 361 Y HA 0.326 4.877 4.550 0.001 0.000 0.317 361 Y C -1.838 174.101 175.900 0.066 0.000 0.928 361 Y CA -1.811 56.369 58.100 0.134 0.000 1.116 361 Y CB -0.237 38.322 38.460 0.165 0.000 1.169 361 Y HN 0.038 nan 8.280 nan 0.000 0.627 362 P HA -0.149 nan 4.420 nan 0.000 0.217 362 P C 1.540 178.866 177.300 0.043 0.000 1.150 362 P CA 1.843 65.024 63.100 0.135 0.000 0.832 362 P CB 0.262 32.067 31.700 0.176 0.000 0.787 363 S N -0.081 115.642 115.700 0.039 0.000 2.374 363 S HA -0.151 4.320 4.470 0.001 0.000 0.227 363 S C 2.072 176.619 174.600 -0.088 0.000 1.037 363 S CA 1.762 59.957 58.200 -0.009 0.000 1.024 363 S CB -1.928 61.285 63.200 0.022 0.000 0.861 363 S HN -0.011 nan 8.310 nan 0.000 0.456 364 V N 3.072 122.907 119.914 -0.130 0.000 2.358 364 V HA -0.133 3.988 4.120 0.001 0.000 0.246 364 V C 2.591 178.451 176.094 -0.391 0.000 1.047 364 V CA 1.946 64.033 62.300 -0.355 0.000 1.035 364 V CB -1.105 30.276 31.823 -0.736 0.000 0.658 364 V HN 0.470 nan 8.190 nan 0.000 0.452 365 N N 0.588 119.147 118.700 -0.235 0.000 2.309 365 N HA -0.179 4.561 4.740 0.001 0.000 0.182 365 N C 1.696 177.104 175.510 -0.170 0.000 1.018 365 N CA 1.242 54.188 53.050 -0.173 0.000 0.876 365 N CB -0.232 38.262 38.487 0.012 0.000 0.972 365 N HN 0.411 nan 8.380 nan 0.000 0.434 366 K N 1.318 121.629 120.400 -0.149 0.000 2.032 366 K HA -0.084 4.237 4.320 0.001 0.000 0.209 366 K C 1.712 178.185 176.600 -0.213 0.000 1.048 366 K CA 1.567 57.775 56.287 -0.133 0.000 0.927 366 K CB -0.336 32.104 32.500 -0.099 0.000 0.712 366 K HN 0.282 nan 8.250 nan 0.000 0.441 367 E N -0.338 119.647 120.200 -0.358 0.000 2.077 367 E HA -0.185 4.166 4.350 0.001 0.000 0.193 367 E C 2.078 178.457 176.600 -0.369 0.000 0.989 367 E CA 1.773 57.836 56.400 -0.562 0.000 0.800 367 E CB -0.141 29.228 29.700 -0.551 0.000 0.746 367 E HN 0.373 nan 8.360 nan 0.000 0.452 368 M N 0.350 119.571 119.600 -0.633 0.000 2.175 368 M HA -0.181 4.300 4.480 0.001 0.000 0.264 368 M C 2.264 178.479 176.300 -0.141 0.000 1.063 368 M CA 1.145 56.042 55.300 -0.671 0.000 1.119 368 M CB -0.062 32.158 32.600 -0.633 0.000 1.377 368 M HN 0.001 nan 8.290 nan 0.000 0.415 369 Q N 0.402 120.139 119.800 -0.105 0.000 2.079 369 Q HA -0.129 4.212 4.340 0.001 0.000 0.200 369 Q C 1.951 177.985 176.000 0.056 0.000 0.974 369 Q CA 1.233 57.017 55.803 -0.032 0.000 0.840 369 Q CB -0.483 28.223 28.738 -0.053 0.000 0.898 369 Q HN 0.503 nan 8.270 nan 0.000 0.430 370 E N 0.161 120.399 120.200 0.062 0.000 2.118 370 E HA -0.141 4.210 4.350 0.001 0.000 0.195 370 E C 2.023 178.754 176.600 0.218 0.000 0.992 370 E CA 1.274 57.765 56.400 0.153 0.000 0.804 370 E CB -0.420 29.403 29.700 0.205 0.000 0.741 370 E HN 0.493 nan 8.360 nan 0.000 0.458 371 G N 1.199 110.152 108.800 0.255 0.000 2.422 371 G HA2 -0.221 3.740 3.960 0.001 0.000 0.218 371 G HA3 -0.221 3.740 3.960 0.001 0.000 0.218 371 G C 1.756 176.810 174.900 0.257 0.000 1.146 371 G CA 0.513 45.798 45.100 0.308 0.000 0.769 371 G HN 0.177 nan 8.290 nan 0.000 0.547 372 L N 0.389 121.764 121.223 0.254 0.000 2.083 372 L HA -0.066 4.275 4.340 0.001 0.000 0.209 372 L C 2.794 179.909 176.870 0.408 0.000 1.083 372 L CA 0.388 55.429 54.840 0.335 0.000 0.752 372 L CB -0.345 41.874 42.059 0.267 0.000 0.899 372 L HN 0.122 nan 8.230 nan 0.000 0.433 373 I N 0.234 121.002 120.570 0.330 0.000 2.208 373 I HA -0.304 3.867 4.170 0.001 0.000 0.245 373 I C 2.059 178.280 176.117 0.173 0.000 1.097 373 I CA 1.768 63.231 61.300 0.271 0.000 1.363 373 I CB -1.323 36.797 38.000 0.198 0.000 1.051 373 I HN 0.393 nan 8.210 nan 0.000 0.413 374 N N -0.104 118.694 118.700 0.163 0.000 2.188 374 N HA -0.143 4.598 4.740 0.001 0.000 0.184 374 N C 1.683 177.225 175.510 0.052 0.000 1.018 374 N CA 1.671 54.798 53.050 0.129 0.000 0.858 374 N CB -0.045 38.540 38.487 0.163 0.000 0.989 374 N HN 0.312 nan 8.380 nan 0.000 0.426 375 T N 0.049 114.619 114.554 0.027 0.000 2.684 375 T HA -0.219 4.132 4.350 0.001 0.000 0.267 375 T C 1.586 176.112 174.700 -0.290 0.000 1.036 375 T CA 1.175 63.124 62.100 -0.251 0.000 1.148 375 T CB -0.496 68.260 68.868 -0.188 0.000 0.863 375 T HN 0.335 nan 8.240 nan 0.000 0.436 376 Y N 1.731 121.840 120.300 -0.319 0.000 2.145 376 Y HA -0.069 4.482 4.550 0.001 0.000 0.286 376 Y C 2.032 177.733 175.900 -0.332 0.000 1.145 376 Y CA 1.094 58.896 58.100 -0.496 0.000 1.148 376 Y CB -0.537 37.337 38.460 -0.978 0.000 0.981 376 Y HN 0.126 nan 8.280 nan 0.000 0.507 377 L N -0.072 121.011 121.223 -0.233 0.000 2.046 377 L HA -0.225 4.116 4.340 0.001 0.000 0.208 377 L C 2.135 178.869 176.870 -0.227 0.000 1.077 377 L CA 1.991 56.693 54.840 -0.230 0.000 0.747 377 L CB -0.518 41.513 42.059 -0.047 0.000 0.896 377 L HN 0.297 nan 8.230 nan 0.000 0.432 378 E N -0.731 119.380 120.200 -0.150 0.000 2.299 378 E HA -0.080 4.271 4.350 0.001 0.000 0.193 378 E C 1.982 178.531 176.600 -0.086 0.000 0.998 378 E CA 1.119 57.476 56.400 -0.071 0.000 0.851 378 E CB 0.196 29.930 29.700 0.056 0.000 0.795 378 E HN 0.510 nan 8.360 nan 0.000 0.492 379 S N -1.832 113.755 115.700 -0.188 0.000 2.575 379 S HA 0.344 4.815 4.470 0.001 0.000 0.230 379 S C 1.672 176.256 174.600 -0.027 0.000 1.062 379 S CA 0.198 58.381 58.200 -0.029 0.000 0.913 379 S CB 1.088 64.272 63.200 -0.028 0.000 0.837 379 S HN 0.314 nan 8.310 nan 0.000 0.487 380 G N 0.629 109.199 108.800 -0.384 0.000 2.258 380 G HA2 -0.172 3.788 3.960 0.001 0.000 0.233 380 G HA3 -0.172 3.788 3.960 0.001 0.000 0.233 380 G C -0.126 174.297 174.900 -0.795 0.000 1.006 380 G CA 0.068 44.772 45.100 -0.661 0.000 0.620 380 G HN 0.481 nan 8.290 nan 0.000 0.511 381 F N -0.402 119.425 119.950 -0.205 0.000 2.593 381 F HA 0.813 5.340 4.527 0.001 0.000 0.320 381 F C 0.084 175.934 175.800 0.084 0.000 1.060 381 F CA -1.448 56.578 58.000 0.044 0.000 0.940 381 F CB 1.138 40.159 39.000 0.034 0.000 1.268 381 F HN -0.061 nan 8.300 nan 0.000 0.475 382 F N 3.079 123.281 119.950 0.421 0.000 2.382 382 F HA 0.390 4.918 4.527 0.001 0.000 0.331 382 F C -1.858 174.128 175.800 0.311 0.000 1.121 382 F CA -2.177 55.995 58.000 0.287 0.000 1.183 382 F CB 0.242 39.338 39.000 0.160 0.000 1.207 382 F HN 0.094 nan 8.300 nan 0.000 0.555 383 P HA 0.169 nan 4.420 nan 0.000 0.276 383 P C -0.494 176.972 177.300 0.278 0.000 1.244 383 P CA -0.169 63.192 63.100 0.436 0.000 0.801 383 P CB 1.776 33.663 31.700 0.312 0.000 1.006 384 E N 0.524 120.823 120.200 0.165 0.000 2.280 384 E HA 0.090 4.441 4.350 0.001 0.000 0.197 384 E C -0.230 176.312 176.600 -0.096 0.000 0.913 384 E CA 0.819 57.290 56.400 0.117 0.000 0.995 384 E CB -0.073 29.756 29.700 0.214 0.000 0.991 384 E HN 0.500 nan 8.360 nan 0.000 0.484 385 W N 0.686 121.984 121.300 -0.003 0.000 2.532 385 W HA 0.575 5.236 4.660 0.001 0.000 0.321 385 W C -0.927 175.583 176.519 -0.014 0.000 1.037 385 W CA -0.389 56.939 57.345 -0.029 0.000 1.220 385 W CB 1.588 31.056 29.460 0.012 0.000 1.361 385 W HN -0.018 nan 8.180 nan 0.000 0.468 386 A N 3.425 126.466 122.820 0.367 0.000 2.343 386 A HA 0.721 5.041 4.320 0.001 0.000 0.308 386 A C -1.053 176.674 177.584 0.239 0.000 1.092 386 A CA -0.523 51.642 52.037 0.215 0.000 0.751 386 A CB 1.806 20.858 19.000 0.087 0.000 1.203 386 A HN 0.303 nan 8.150 nan 0.000 0.452 387 S N 4.078 119.794 115.700 0.026 0.000 2.706 387 S HA 0.548 5.019 4.470 0.001 0.000 0.270 387 S C -1.900 172.416 174.600 -0.475 0.000 1.163 387 S CA -0.886 57.268 58.200 -0.077 0.000 1.042 387 S CB 1.498 64.742 63.200 0.073 0.000 1.079 387 S HN 0.481 nan 8.310 nan 0.000 0.474 388 P HA -0.133 nan 4.420 nan 0.000 0.222 388 P C 0.957 177.778 177.300 -0.797 0.000 1.155 388 P CA 1.734 64.273 63.100 -0.936 0.000 0.890 388 P CB -0.250 30.664 31.700 -1.311 0.000 0.790 389 G N -1.513 106.837 108.800 -0.750 0.000 2.531 389 G HA2 0.220 4.181 3.960 0.001 0.000 0.281 389 G HA3 0.220 4.181 3.960 0.001 0.000 0.281 389 G C -0.547 174.159 174.900 -0.323 0.000 1.382 389 G CA -0.438 44.169 45.100 -0.821 0.000 1.045 389 G HN 0.157 nan 8.290 nan 0.000 0.533 390 H N 0.741 119.800 119.070 -0.018 0.000 2.964 390 H HA 0.263 4.819 4.556 0.001 0.000 0.328 390 H C 0.378 175.644 175.328 -0.103 0.000 1.030 390 H CA 0.474 56.514 56.048 -0.013 0.000 1.445 390 H CB 0.553 30.233 29.762 -0.136 0.000 1.449 390 H HN 0.152 nan 8.280 nan 0.000 0.581 391 R N 1.171 121.726 120.500 0.091 0.000 2.795 391 R HA 0.367 4.707 4.340 0.001 0.000 0.275 391 R C 0.189 176.489 176.300 0.000 0.000 0.981 391 R CA -0.988 55.106 56.100 -0.010 0.000 0.917 391 R CB 2.108 32.372 30.300 -0.060 0.000 1.202 391 R HN 0.786 nan 8.270 nan 0.000 0.469 392 G N 0.512 109.280 108.800 -0.053 0.000 2.571 392 G HA2 0.414 4.375 3.960 0.001 0.000 0.327 392 G HA3 0.414 4.375 3.960 0.001 0.000 0.327 392 G C -0.673 174.189 174.900 -0.063 0.000 1.008 392 G CA -0.147 44.930 45.100 -0.038 0.000 1.136 392 G HN 0.434 nan 8.290 nan 0.000 0.444 393 C N 4.924 124.211 119.300 -0.022 0.000 2.891 393 C HA 0.733 5.194 4.460 0.001 0.000 0.342 393 C C -0.094 174.942 174.990 0.077 0.000 1.126 393 C CA -0.481 58.490 59.018 -0.078 0.000 1.322 393 C CB 0.663 28.165 27.740 -0.396 0.000 1.763 393 C HN 0.958 nan 8.230 nan 0.000 0.491 394 M N 2.791 122.357 119.600 -0.058 0.000 7.319 394 M HA -0.136 4.345 4.480 0.001 0.000 0.129 394 M C -0.178 176.069 176.300 -0.088 0.000 0.480 394 M CA 1.721 56.895 55.300 -0.208 0.000 1.311 394 M CB -2.107 30.354 32.600 -0.233 0.000 0.421 394 M HN 1.596 nan 8.290 nan 0.000 0.500 395 V N -3.062 116.798 119.914 -0.089 0.000 3.202 395 V HA 1.041 5.162 4.120 0.001 0.000 0.306 395 V C 0.151 176.431 176.094 0.310 0.000 1.283 395 V CA 0.519 62.871 62.300 0.086 0.000 1.065 395 V CB 1.309 33.142 31.823 0.017 0.000 1.079 395 V HN 2.675 nan 8.190 nan 0.000 0.448 396 G N 1.324 110.288 108.800 0.273 0.000 2.662 396 G HA2 -0.005 3.956 3.960 0.001 0.000 0.686 396 G HA3 -0.005 3.956 3.960 0.001 0.000 0.686 396 G C -0.651 174.479 174.900 0.385 0.000 1.271 396 G CA 0.078 45.390 45.100 0.354 0.000 0.816 396 G HN 1.865 nan 8.290 nan 0.000 0.608 397 N N 0.083 118.986 118.700 0.340 0.000 2.610 397 N HA 0.172 4.912 4.740 0.001 0.000 0.309 397 N C 1.085 176.608 175.510 0.023 0.000 1.536 397 N CA -0.072 53.081 53.050 0.172 0.000 0.954 397 N CB -0.432 38.087 38.487 0.054 0.000 1.310 397 N HN 0.505 nan 8.380 nan 0.000 0.502 398 N N -1.208 117.514 118.700 0.036 0.000 2.515 398 N HA -0.098 4.643 4.740 0.001 0.000 0.185 398 N C 1.581 176.923 175.510 -0.280 0.000 1.109 398 N CA 0.594 53.518 53.050 -0.211 0.000 0.903 398 N CB 0.253 38.572 38.487 -0.280 0.000 0.969 398 N HN 0.308 nan 8.380 nan 0.000 0.450 399 S N 0.458 116.083 115.700 -0.124 0.000 2.420 399 S HA -0.200 4.270 4.470 0.001 0.000 0.237 399 S C 2.113 176.402 174.600 -0.517 0.000 1.023 399 S CA 0.933 58.910 58.200 -0.371 0.000 0.991 399 S CB -0.450 62.754 63.200 0.007 0.000 0.792 399 S HN 0.370 nan 8.310 nan 0.000 0.488 400 A N 1.614 124.196 122.820 -0.396 0.000 1.908 400 A HA -0.059 4.261 4.320 0.001 0.000 0.218 400 A C 2.483 179.777 177.584 -0.483 0.000 1.181 400 A CA 2.002 53.773 52.037 -0.443 0.000 0.627 400 A CB -1.380 17.387 19.000 -0.387 0.000 0.818 400 A HN 0.623 nan 8.150 nan 0.000 0.445 401 S N -0.487 114.912 115.700 -0.502 0.000 2.355 401 S HA -0.109 4.362 4.470 0.001 0.000 0.222 401 S C 1.968 176.351 174.600 -0.361 0.000 1.031 401 S CA 1.266 59.212 58.200 -0.423 0.000 0.993 401 S CB -0.456 62.518 63.200 -0.377 0.000 0.859 401 S HN 0.392 nan 8.310 nan 0.000 0.453 402 I N 1.648 121.909 120.570 -0.515 0.000 2.118 402 I HA -0.201 3.970 4.170 0.001 0.000 0.241 402 I C 2.402 178.206 176.117 -0.522 0.000 1.070 402 I CA 1.467 62.372 61.300 -0.658 0.000 1.327 402 I CB -1.352 35.878 38.000 -1.283 0.000 1.034 402 I HN 0.369 nan 8.210 nan 0.000 0.405 403 L N -0.152 120.738 121.223 -0.556 0.000 2.027 403 L HA -0.160 4.180 4.340 0.001 0.000 0.206 403 L C 2.623 179.310 176.870 -0.305 0.000 1.074 403 L CA 0.874 55.436 54.840 -0.462 0.000 0.745 403 L CB -0.561 41.128 42.059 -0.616 0.000 0.898 403 L HN 0.007 nan 8.230 nan 0.000 0.433 404 V N -0.256 119.464 119.914 -0.323 0.000 2.427 404 V HA -0.280 3.841 4.120 0.001 0.000 0.248 404 V C 2.134 178.131 176.094 -0.162 0.000 1.051 404 V CA 1.953 64.103 62.300 -0.251 0.000 1.048 404 V CB -0.468 31.162 31.823 -0.323 0.000 0.666 404 V HN 0.479 nan 8.190 nan 0.000 0.456 405 D N 0.501 120.800 120.400 -0.168 0.000 2.123 405 D HA -0.163 4.478 4.640 0.001 0.000 0.196 405 D C 2.122 178.359 176.300 -0.105 0.000 0.992 405 D CA 1.617 55.548 54.000 -0.115 0.000 0.833 405 D CB -0.120 40.632 40.800 -0.081 0.000 0.954 405 D HN 0.361 nan 8.370 nan 0.000 0.455 406 A N -0.678 122.081 122.820 -0.101 0.000 1.858 406 A HA -0.185 4.136 4.320 0.001 0.000 0.216 406 A C 2.293 179.842 177.584 -0.060 0.000 1.190 406 A CA 1.639 53.634 52.037 -0.070 0.000 0.617 406 A CB -1.432 17.522 19.000 -0.077 0.000 0.827 406 A HN 0.495 nan 8.150 nan 0.000 0.443 407 Y N -0.054 120.151 120.300 -0.158 0.000 2.128 407 Y HA -0.218 4.333 4.550 0.001 0.000 0.284 407 Y C 2.329 178.143 175.900 -0.144 0.000 1.154 407 Y CA 2.197 60.212 58.100 -0.140 0.000 1.149 407 Y CB -0.167 38.199 38.460 -0.156 0.000 0.976 407 Y HN 0.211 nan 8.280 nan 0.000 0.505 408 M N 0.179 119.812 119.600 0.054 0.000 2.446 408 M HA -0.152 4.329 4.480 0.001 0.000 0.263 408 M C 1.031 177.231 176.300 -0.167 0.000 1.066 408 M CA 1.551 56.825 55.300 -0.043 0.000 1.087 408 M CB -0.702 31.848 32.600 -0.084 0.000 1.406 408 M HN 0.259 nan 8.290 nan 0.000 0.459 409 K N -0.618 119.652 120.400 -0.215 0.000 2.440 409 K HA 0.341 4.662 4.320 0.001 0.000 0.206 409 K C 0.916 177.389 176.600 -0.210 0.000 1.025 409 K CA 0.378 56.451 56.287 -0.357 0.000 1.135 409 K CB 0.580 32.775 32.500 -0.508 0.000 0.856 409 K HN 0.428 nan 8.250 nan 0.000 0.502 410 G N 0.808 109.500 108.800 -0.180 0.000 2.194 410 G HA2 -0.222 3.739 3.960 0.001 0.000 0.236 410 G HA3 -0.222 3.739 3.960 0.001 0.000 0.236 410 G C 0.108 174.937 174.900 -0.119 0.000 0.987 410 G CA -0.258 44.767 45.100 -0.125 0.000 0.635 410 G HN 0.117 nan 8.290 nan 0.000 0.520 411 V N 1.675 121.520 119.914 -0.115 0.000 2.299 411 V HA 0.459 4.580 4.120 0.001 0.000 0.255 411 V C 0.408 176.426 176.094 -0.127 0.000 1.100 411 V CA 0.023 62.274 62.300 -0.082 0.000 0.938 411 V CB 0.840 32.644 31.823 -0.031 0.000 1.139 411 V HN 0.306 nan 8.190 nan 0.000 0.490 412 K N 3.408 123.717 120.400 -0.152 0.000 2.307 412 K HA 0.572 4.892 4.320 0.001 0.000 0.263 412 K C -0.184 176.406 176.600 -0.017 0.000 0.973 412 K CA -0.573 55.623 56.287 -0.151 0.000 0.846 412 K CB 2.181 34.484 32.500 -0.330 0.000 1.100 412 K HN 0.568 nan 8.250 nan 0.000 0.438 413 V N -0.141 119.808 119.914 0.058 0.000 3.051 413 V HA 0.073 4.193 4.120 0.001 0.000 0.306 413 V C 0.583 176.723 176.094 0.076 0.000 1.083 413 V CA -0.093 62.248 62.300 0.067 0.000 1.104 413 V CB 0.908 32.782 31.823 0.085 0.000 1.027 413 V HN 0.693 nan 8.190 nan 0.000 0.483 414 D N 0.657 121.099 120.400 0.071 0.000 2.117 414 D HA -0.071 4.570 4.640 0.001 0.000 0.198 414 D C 0.810 177.149 176.300 0.065 0.000 0.982 414 D CA 1.705 55.742 54.000 0.062 0.000 0.828 414 D CB -0.149 40.687 40.800 0.059 0.000 0.967 414 D HN 0.847 nan 8.370 nan 0.000 0.464 415 D N 0.301 120.743 120.400 0.070 0.000 2.517 415 D HA 0.115 4.756 4.640 0.001 0.000 0.220 415 D C 1.228 177.562 176.300 0.056 0.000 1.158 415 D CA -0.159 53.877 54.000 0.059 0.000 0.992 415 D CB -0.173 40.665 40.800 0.063 0.000 1.058 415 D HN 0.093 nan 8.370 nan 0.000 0.516 416 I N 1.769 122.368 120.570 0.049 0.000 2.546 416 I HA -0.166 4.005 4.170 0.001 0.000 0.255 416 I C 2.380 178.495 176.117 -0.003 0.000 1.163 416 I CA 0.528 61.841 61.300 0.022 0.000 1.457 416 I CB 0.005 38.017 38.000 0.019 0.000 1.092 416 I HN 0.250 nan 8.210 nan 0.000 0.434 417 K N 1.011 121.413 120.400 0.004 0.000 2.057 417 K HA -0.164 4.156 4.320 0.001 0.000 0.207 417 K C 2.004 178.614 176.600 0.017 0.000 1.049 417 K CA 1.871 58.162 56.287 0.007 0.000 0.931 417 K CB -0.044 32.459 32.500 0.006 0.000 0.714 417 K HN 0.224 nan 8.250 nan 0.000 0.440 418 T N 2.047 116.606 114.554 0.010 0.000 2.777 418 T HA -0.131 4.219 4.350 0.001 0.000 0.266 418 T C 1.658 176.297 174.700 -0.101 0.000 1.040 418 T CA 1.091 63.177 62.100 -0.022 0.000 1.141 418 T CB -0.216 68.671 68.868 0.032 0.000 0.868 418 T HN 0.185 nan 8.240 nan 0.000 0.444 419 L N 0.512 121.734 121.223 -0.003 0.000 2.012 419 L HA -0.093 4.248 4.340 0.001 0.000 0.210 419 L C 2.121 178.970 176.870 -0.035 0.000 1.073 419 L CA 1.815 56.677 54.840 0.037 0.000 0.748 419 L CB -1.097 40.961 42.059 -0.003 0.000 0.891 419 L HN 0.261 nan 8.230 nan 0.000 0.431 420 Y N 0.668 120.866 120.300 -0.171 0.000 2.163 420 Y HA -0.189 4.361 4.550 0.001 0.000 0.288 420 Y C 2.476 178.273 175.900 -0.171 0.000 1.136 420 Y CA 2.121 60.102 58.100 -0.198 0.000 1.147 420 Y CB -0.199 38.144 38.460 -0.195 0.000 0.987 420 Y HN 0.408 nan 8.280 nan 0.000 0.509 421 E N -0.643 119.505 120.200 -0.087 0.000 2.058 421 E HA -0.225 4.126 4.350 0.001 0.000 0.194 421 E C 2.422 178.837 176.600 -0.307 0.000 0.997 421 E CA 1.069 57.379 56.400 -0.150 0.000 0.801 421 E CB -0.647 29.013 29.700 -0.067 0.000 0.746 421 E HN 0.633 nan 8.360 nan 0.000 0.450 422 G N 1.636 110.081 108.800 -0.592 0.000 2.491 422 G HA2 -0.273 3.688 3.960 0.001 0.000 0.218 422 G HA3 -0.273 3.688 3.960 0.001 0.000 0.218 422 G C 1.610 176.386 174.900 -0.207 0.000 1.180 422 G CA 0.771 45.309 45.100 -0.937 0.000 0.774 422 G HN 0.082 nan 8.290 nan 0.000 0.562 423 L N 0.373 121.509 121.223 -0.145 0.000 1.989 423 L HA -0.121 4.219 4.340 0.001 0.000 0.211 423 L C 2.877 179.574 176.870 -0.289 0.000 1.071 423 L CA 0.776 55.470 54.840 -0.243 0.000 0.749 423 L CB -0.385 41.399 42.059 -0.458 0.000 0.890 423 L HN 0.152 nan 8.230 nan 0.000 0.431 424 I N -0.873 119.465 120.570 -0.388 0.000 2.286 424 I HA -0.325 3.846 4.170 0.001 0.000 0.248 424 I C 2.554 178.592 176.117 -0.133 0.000 1.115 424 I CA 1.565 62.714 61.300 -0.253 0.000 1.392 424 I CB -1.577 36.263 38.000 -0.267 0.000 1.065 424 I HN 0.465 nan 8.210 nan 0.000 0.418 425 H N 1.555 120.502 119.070 -0.205 0.000 2.352 425 H HA -0.128 4.429 4.556 0.001 0.000 0.299 425 H C 2.081 177.287 175.328 -0.203 0.000 1.097 425 H CA 1.876 57.806 56.048 -0.196 0.000 1.311 425 H CB -0.015 29.641 29.762 -0.176 0.000 1.377 425 H HN 0.314 nan 8.280 nan 0.000 0.504 426 G N -0.378 108.377 108.800 -0.076 0.000 2.598 426 G HA2 -0.190 3.771 3.960 0.001 0.000 0.215 426 G HA3 -0.190 3.771 3.960 0.001 0.000 0.215 426 G C 1.705 176.496 174.900 -0.181 0.000 1.131 426 G CA 1.041 46.115 45.100 -0.044 0.000 0.785 426 G HN 0.608 nan 8.290 nan 0.000 0.539 427 T N -1.798 112.631 114.554 -0.207 0.000 3.081 427 T HA 0.110 4.461 4.350 0.001 0.000 0.255 427 T C 1.294 175.809 174.700 -0.308 0.000 1.113 427 T CA 0.759 62.747 62.100 -0.186 0.000 1.082 427 T CB 0.210 69.080 68.868 0.004 0.000 0.939 427 T HN 0.285 nan 8.240 nan 0.000 0.506 428 E N 1.184 121.071 120.200 -0.522 0.000 2.758 428 E HA 0.302 4.653 4.350 0.001 0.000 0.215 428 E C -0.458 175.247 176.600 -1.491 0.000 0.985 428 E CA -0.316 55.535 56.400 -0.915 0.000 1.102 428 E CB 0.352 29.840 29.700 -0.354 0.000 1.042 428 E HN 0.512 nan 8.360 nan 0.000 0.480 429 N N 0.634 118.687 118.700 -1.078 0.000 2.329 429 N HA 0.336 5.077 4.740 0.001 0.000 0.282 429 N C -1.554 173.900 175.510 -0.092 0.000 1.198 429 N CA -0.492 52.209 53.050 -0.582 0.000 0.790 429 N CB 3.230 41.411 38.487 -0.509 0.000 1.579 429 N HN -0.082 nan 8.380 nan 0.000 0.475 430 V N 0.804 120.795 119.914 0.129 0.000 2.656 430 V HA 0.298 4.418 4.120 0.001 0.000 0.307 430 V C -0.569 175.514 176.094 -0.019 0.000 1.051 430 V CA -0.541 61.822 62.300 0.106 0.000 0.893 430 V CB 1.541 33.453 31.823 0.149 0.000 0.999 430 V HN 0.832 nan 8.190 nan 0.000 0.426 431 H N 7.789 126.509 119.070 -0.583 0.000 3.001 431 H HA 0.196 4.753 4.556 0.001 0.000 0.334 431 H C -1.782 173.432 175.328 -0.191 0.000 1.034 431 H CA -0.037 55.628 56.048 -0.639 0.000 1.420 431 H CB 1.547 30.813 29.762 -0.826 0.000 1.405 431 H HN 0.532 nan 8.280 nan 0.000 0.593 432 P HA -0.086 nan 4.420 nan 0.000 0.218 432 P C 0.863 178.211 177.300 0.080 0.000 1.149 432 P CA 2.037 65.108 63.100 -0.049 0.000 0.817 432 P CB 0.283 31.919 31.700 -0.107 0.000 0.785 433 E N -1.151 119.220 120.200 0.285 0.000 2.364 433 E HA 0.181 4.532 4.350 0.001 0.000 0.203 433 E C 0.804 177.475 176.600 0.119 0.000 0.888 433 E CA 0.171 56.694 56.400 0.206 0.000 0.989 433 E CB -0.008 29.805 29.700 0.188 0.000 0.985 433 E HN -0.013 nan 8.360 nan 0.000 0.499 434 V N 2.895 122.857 119.914 0.080 0.000 2.277 434 V HA 0.206 4.327 4.120 0.001 0.000 0.269 434 V C 1.377 177.421 176.094 -0.085 0.000 1.036 434 V CA 0.356 62.575 62.300 -0.135 0.000 0.821 434 V CB 0.694 32.279 31.823 -0.398 0.000 1.052 434 V HN 0.528 nan 8.190 nan 0.000 0.462 435 S N 2.421 118.108 115.700 -0.021 0.000 2.555 435 S HA -0.092 4.379 4.470 0.001 0.000 0.230 435 S C 1.652 176.261 174.600 0.015 0.000 0.978 435 S CA 0.889 59.094 58.200 0.008 0.000 0.934 435 S CB -0.147 63.070 63.200 0.029 0.000 0.766 435 S HN 0.847 nan 8.310 nan 0.000 0.533 436 S N -0.200 115.499 115.700 -0.001 0.000 2.605 436 S HA 0.223 4.693 4.470 0.001 0.000 0.217 436 S C 0.275 174.894 174.600 0.033 0.000 0.958 436 S CA -0.468 57.761 58.200 0.049 0.000 0.919 436 S CB -0.227 63.020 63.200 0.079 0.000 0.780 436 S HN 0.344 nan 8.310 nan 0.000 0.507 437 T N 2.411 116.913 114.554 -0.087 0.000 2.770 437 T HA 0.677 5.027 4.350 0.001 0.000 0.283 437 T C 0.479 175.055 174.700 -0.207 0.000 0.988 437 T CA 0.300 62.280 62.100 -0.200 0.000 0.957 437 T CB 0.928 69.463 68.868 -0.554 0.000 0.930 437 T HN 0.828 nan 8.240 nan 0.000 0.443 438 G N 3.278 112.103 108.800 0.042 0.000 2.681 438 G HA2 -0.179 3.781 3.960 0.001 0.000 0.220 438 G HA3 -0.179 3.781 3.960 0.001 0.000 0.220 438 G C -0.864 174.092 174.900 0.093 0.000 1.353 438 G CA -0.935 44.270 45.100 0.174 0.000 0.872 438 G HN 0.781 nan 8.290 nan 0.000 0.557 439 R N -0.211 120.307 120.500 0.031 0.000 2.247 439 R HA 0.423 4.764 4.340 0.001 0.000 0.329 439 R C 0.176 176.610 176.300 0.224 0.000 1.014 439 R CA -0.796 55.319 56.100 0.024 0.000 0.907 439 R CB 1.167 31.226 30.300 -0.403 0.000 1.146 439 R HN 0.554 nan 8.270 nan 0.000 0.499 440 L N 2.048 123.435 121.223 0.272 0.000 2.490 440 L HA 0.146 4.487 4.340 0.001 0.000 0.274 440 L C 1.180 178.237 176.870 0.312 0.000 1.201 440 L CA 1.621 56.614 54.840 0.255 0.000 0.869 440 L CB 0.559 42.721 42.059 0.172 0.000 1.123 440 L HN 0.925 nan 8.230 nan 0.000 0.484 441 G N 3.398 112.352 108.800 0.257 0.000 2.148 441 G HA2 -0.397 3.564 3.960 0.001 0.000 0.254 441 G HA3 -0.397 3.564 3.960 0.001 0.000 0.254 441 G C 0.528 175.580 174.900 0.253 0.000 0.981 441 G CA 0.828 46.087 45.100 0.265 0.000 0.670 441 G HN 1.171 nan 8.290 nan 0.000 0.528 442 Y N -1.795 118.590 120.300 0.142 0.000 2.333 442 Y HA 0.244 4.795 4.550 0.001 0.000 0.290 442 Y C 2.197 178.160 175.900 0.106 0.000 1.144 442 Y CA 1.867 60.019 58.100 0.087 0.000 1.228 442 Y CB -0.996 37.441 38.460 -0.037 0.000 0.985 442 Y HN 0.485 nan 8.280 nan 0.000 0.542 443 E N 1.152 120.891 120.200 -0.768 0.000 2.023 443 E HA -0.226 4.124 4.350 0.001 0.000 0.196 443 E C 1.809 178.226 176.600 -0.304 0.000 1.003 443 E CA 1.934 57.958 56.400 -0.626 0.000 0.809 443 E CB -1.639 27.615 29.700 -0.743 0.000 0.755 443 E HN 0.735 nan 8.360 nan 0.000 0.449 444 Y N -0.819 119.386 120.300 -0.159 0.000 2.097 444 Y HA -0.145 4.406 4.550 0.001 0.000 0.282 444 Y C 2.513 178.357 175.900 -0.093 0.000 1.152 444 Y CA 1.847 59.865 58.100 -0.137 0.000 1.136 444 Y CB -0.950 37.436 38.460 -0.123 0.000 0.975 444 Y HN 0.472 nan 8.280 nan 0.000 0.498 445 Y N 1.139 121.497 120.300 0.097 0.000 2.081 445 Y HA -0.349 4.202 4.550 0.001 0.000 0.280 445 Y C 1.998 177.921 175.900 0.038 0.000 1.163 445 Y CA 2.230 60.390 58.100 0.100 0.000 1.135 445 Y CB -0.892 37.709 38.460 0.236 0.000 0.970 445 Y HN 0.199 nan 8.280 nan 0.000 0.498 446 N N -0.347 118.414 118.700 0.102 0.000 2.223 446 N HA -0.182 4.558 4.740 0.001 0.000 0.185 446 N C 1.875 177.320 175.510 -0.108 0.000 1.016 446 N CA 1.136 54.177 53.050 -0.016 0.000 0.863 446 N CB -0.177 38.356 38.487 0.077 0.000 0.983 446 N HN 0.367 nan 8.380 nan 0.000 0.429 447 K N 0.537 120.869 120.400 -0.112 0.000 2.067 447 K HA 0.011 4.331 4.320 0.001 0.000 0.203 447 K C 1.332 177.844 176.600 -0.146 0.000 1.048 447 K CA 0.719 56.927 56.287 -0.130 0.000 0.954 447 K CB 0.306 32.716 32.500 -0.151 0.000 0.737 447 K HN 0.033 nan 8.250 nan 0.000 0.444 448 L N -0.483 120.622 121.223 -0.196 0.000 2.463 448 L HA 0.230 4.571 4.340 0.001 0.000 0.219 448 L C 1.475 178.221 176.870 -0.207 0.000 1.088 448 L CA 1.513 56.197 54.840 -0.259 0.000 0.849 448 L CB -0.153 41.572 42.059 -0.556 0.000 1.012 448 L HN 0.637 nan 8.230 nan 0.000 0.468 449 G N -0.039 108.610 108.800 -0.251 0.000 2.175 449 G HA2 -0.292 3.668 3.960 0.001 0.000 0.244 449 G HA3 -0.292 3.668 3.960 0.001 0.000 0.244 449 G C 0.102 174.968 174.900 -0.057 0.000 0.982 449 G CA 0.409 45.379 45.100 -0.216 0.000 0.641 449 G HN 0.437 nan 8.290 nan 0.000 0.527 450 Y N -2.660 117.609 120.300 -0.052 0.000 2.689 450 Y HA 0.683 5.234 4.550 0.001 0.000 0.333 450 Y C -0.590 175.431 175.900 0.201 0.000 1.208 450 Y CA -1.695 56.483 58.100 0.131 0.000 1.055 450 Y CB 0.948 39.441 38.460 0.053 0.000 1.304 450 Y HN 0.385 nan 8.280 nan 0.000 0.455 451 V N 3.169 123.288 119.914 0.342 0.000 2.364 451 V HA 0.405 4.525 4.120 0.001 0.000 0.272 451 V C -2.282 173.884 176.094 0.120 0.000 1.036 451 V CA -2.008 60.377 62.300 0.143 0.000 0.880 451 V CB 0.842 32.743 31.823 0.129 0.000 0.991 451 V HN 0.581 nan 8.190 nan 0.000 0.460 452 P HA -0.040 nan 4.420 nan 0.000 0.266 452 P C 0.094 177.392 177.300 -0.003 0.000 1.193 452 P CA 0.216 63.337 63.100 0.034 0.000 0.770 452 P CB 0.398 31.953 31.700 -0.243 0.000 0.836 453 Y N 2.591 122.861 120.300 -0.051 0.000 2.561 453 Y HA -0.061 4.490 4.550 0.001 0.000 0.291 453 Y C 0.693 176.539 175.900 -0.090 0.000 1.141 453 Y CA 1.048 59.093 58.100 -0.092 0.000 1.303 453 Y CB 0.010 38.421 38.460 -0.081 0.000 1.015 453 Y HN 0.266 nan 8.280 nan 0.000 0.547 454 D N -0.374 120.010 120.400 -0.027 0.000 2.696 454 D HA 0.064 4.705 4.640 0.001 0.000 0.269 454 D C 0.289 176.516 176.300 -0.121 0.000 1.319 454 D CA 0.366 54.329 54.000 -0.062 0.000 0.826 454 D CB -0.501 40.336 40.800 0.061 0.000 1.086 454 D HN 0.192 nan 8.370 nan 0.000 0.481 455 V N -3.124 116.665 119.914 -0.209 0.000 2.988 455 V HA 0.440 4.561 4.120 0.001 0.000 0.356 455 V C 0.344 176.342 176.094 -0.160 0.000 1.380 455 V CA -0.760 61.404 62.300 -0.226 0.000 1.184 455 V CB -0.064 31.434 31.823 -0.542 0.000 1.204 455 V HN -0.030 nan 8.190 nan 0.000 0.530 456 K N 0.308 120.622 120.400 -0.143 0.000 3.281 456 K HA -0.137 4.184 4.320 0.001 0.000 0.295 456 K C -0.294 176.249 176.600 -0.094 0.000 1.233 456 K CA 1.018 57.246 56.287 -0.099 0.000 0.866 456 K CB -2.181 30.290 32.500 -0.049 0.000 1.265 456 K HN 0.781 nan 8.250 nan 0.000 0.482 457 I N 1.593 122.080 120.570 -0.139 0.000 2.382 457 I HA 0.188 4.359 4.170 0.001 0.000 0.285 457 I C 0.270 176.301 176.117 -0.144 0.000 1.007 457 I CA -0.886 60.349 61.300 -0.107 0.000 1.142 457 I CB 1.367 39.314 38.000 -0.089 0.000 1.289 457 I HN -0.084 nan 8.210 nan 0.000 0.453 458 N N 4.849 123.483 118.700 -0.110 0.000 2.530 458 N HA 0.161 4.902 4.740 0.001 0.000 0.277 458 N C 0.134 175.550 175.510 -0.157 0.000 1.168 458 N CA -0.072 52.896 53.050 -0.136 0.000 0.979 458 N CB 0.655 39.117 38.487 -0.043 0.000 1.141 458 N HN 0.497 nan 8.380 nan 0.000 0.459 459 E N -0.825 119.236 120.200 -0.232 0.000 2.637 459 E HA -0.251 4.100 4.350 0.001 0.000 0.265 459 E C 0.661 177.107 176.600 -0.255 0.000 1.073 459 E CA 0.549 56.799 56.400 -0.249 0.000 0.778 459 E CB -1.388 28.215 29.700 -0.162 0.000 1.362 459 E HN 0.705 nan 8.360 nan 0.000 0.413 460 N N 0.062 118.617 118.700 -0.242 0.000 2.104 460 N HA -0.242 4.498 4.740 0.001 0.000 0.190 460 N C 1.886 177.278 175.510 -0.196 0.000 1.024 460 N CA 1.540 54.483 53.050 -0.178 0.000 0.853 460 N CB -0.234 38.175 38.487 -0.129 0.000 1.008 460 N HN 0.286 nan 8.380 nan 0.000 0.424 461 A N 1.472 124.091 122.820 -0.334 0.000 1.902 461 A HA 0.136 4.457 4.320 0.001 0.000 0.217 461 A C 2.567 179.970 177.584 -0.301 0.000 1.181 461 A CA 1.878 53.691 52.037 -0.372 0.000 0.623 461 A CB -0.888 17.619 19.000 -0.823 0.000 0.818 461 A HN 0.498 nan 8.150 nan 0.000 0.443 462 A N -0.217 122.333 122.820 -0.451 0.000 1.930 462 A HA -0.128 4.193 4.320 0.001 0.000 0.217 462 A C 2.238 179.723 177.584 -0.165 0.000 1.175 462 A CA 1.405 53.165 52.037 -0.461 0.000 0.627 462 A CB -0.427 18.168 19.000 -0.676 0.000 0.815 462 A HN 0.557 nan 8.150 nan 0.000 0.443 463 R N -0.833 119.509 120.500 -0.262 0.000 2.073 463 R HA -0.085 4.256 4.340 0.001 0.000 0.234 463 R C 2.301 178.220 176.300 -0.634 0.000 1.134 463 R CA 1.835 57.615 56.100 -0.533 0.000 0.952 463 R CB -0.909 29.041 30.300 -0.583 0.000 0.850 463 R HN 0.509 nan 8.270 nan 0.000 0.433 464 T N 1.950 116.375 114.554 -0.216 0.000 2.652 464 T HA -0.141 4.209 4.350 0.001 0.000 0.267 464 T C 1.959 176.813 174.700 0.257 0.000 1.039 464 T CA 1.290 63.473 62.100 0.138 0.000 1.153 464 T CB -0.278 68.754 68.868 0.274 0.000 0.863 464 T HN 0.113 nan 8.240 nan 0.000 0.428 465 L N 0.626 121.987 121.223 0.229 0.000 2.012 465 L HA -0.143 4.198 4.340 0.001 0.000 0.210 465 L C 2.806 179.920 176.870 0.406 0.000 1.073 465 L CA 1.565 56.620 54.840 0.358 0.000 0.748 465 L CB -0.568 41.715 42.059 0.373 0.000 0.891 465 L HN 0.353 nan 8.230 nan 0.000 0.431 466 E N -1.065 119.335 120.200 0.333 0.000 2.107 466 E HA -0.193 4.158 4.350 0.001 0.000 0.191 466 E C 2.204 179.004 176.600 0.334 0.000 0.982 466 E CA 0.852 57.477 56.400 0.376 0.000 0.809 466 E CB -0.089 29.823 29.700 0.353 0.000 0.756 466 E HN 0.406 nan 8.360 nan 0.000 0.459 467 Y N 0.976 121.348 120.300 0.120 0.000 2.165 467 Y HA -0.202 4.349 4.550 0.001 0.000 0.286 467 Y C 2.460 178.435 175.900 0.125 0.000 1.155 467 Y CA 0.712 58.783 58.100 -0.048 0.000 1.164 467 Y CB -1.143 37.011 38.460 -0.509 0.000 0.978 467 Y HN 0.037 nan 8.280 nan 0.000 0.513 468 A N -0.512 122.599 122.820 0.485 0.000 1.883 468 A HA -0.276 4.044 4.320 0.001 0.000 0.217 468 A C 2.185 179.923 177.584 0.256 0.000 1.186 468 A CA 1.827 54.161 52.037 0.496 0.000 0.624 468 A CB -1.476 17.899 19.000 0.625 0.000 0.822 468 A HN 0.531 nan 8.150 nan 0.000 0.444 469 Y N 1.390 121.749 120.300 0.100 0.000 2.242 469 Y HA -0.187 4.363 4.550 0.001 0.000 0.291 469 Y C 1.782 177.616 175.900 -0.111 0.000 1.137 469 Y CA 1.681 59.648 58.100 -0.222 0.000 1.181 469 Y CB -0.362 38.163 38.460 0.109 0.000 0.989 469 Y HN 0.358 nan 8.280 nan 0.000 0.527 470 D N 0.492 120.731 120.400 -0.268 0.000 2.092 470 D HA -0.211 4.429 4.640 0.001 0.000 0.193 470 D C 1.719 177.865 176.300 -0.256 0.000 0.994 470 D CA 1.819 55.601 54.000 -0.364 0.000 0.828 470 D CB -0.456 40.256 40.800 -0.146 0.000 0.963 470 D HN 0.466 nan 8.370 nan 0.000 0.450 471 D N -0.367 120.014 120.400 -0.033 0.000 2.178 471 D HA -0.151 4.490 4.640 0.001 0.000 0.201 471 D C 1.896 178.212 176.300 0.026 0.000 0.980 471 D CA 0.438 54.496 54.000 0.097 0.000 0.842 471 D CB -0.373 40.644 40.800 0.362 0.000 0.948 471 D HN 0.369 nan 8.370 nan 0.000 0.472 472 W N 1.403 122.538 121.300 -0.276 0.000 2.358 472 W HA -0.251 4.410 4.660 0.001 0.000 0.303 472 W C 2.272 178.647 176.519 -0.240 0.000 1.208 472 W CA 1.098 58.244 57.345 -0.332 0.000 1.274 472 W CB -0.437 28.694 29.460 -0.549 0.000 1.138 472 W HN -0.045 nan 8.180 nan 0.000 0.515 473 C N 0.304 119.441 119.300 -0.272 0.000 2.429 473 C HA -0.205 4.256 4.460 0.001 0.000 0.277 473 C C 2.705 177.386 174.990 -0.515 0.000 1.262 473 C CA 1.241 59.980 59.018 -0.465 0.000 1.733 473 C CB -1.506 25.952 27.740 -0.470 0.000 2.010 473 C HN 0.364 nan 8.230 nan 0.000 0.483 474 I N 0.009 120.287 120.570 -0.487 0.000 2.179 474 I HA -0.248 3.923 4.170 0.001 0.000 0.242 474 I C 2.547 178.361 176.117 -0.505 0.000 1.088 474 I CA 2.003 62.936 61.300 -0.612 0.000 1.357 474 I CB -0.693 36.715 38.000 -0.987 0.000 1.051 474 I HN 0.418 nan 8.210 nan 0.000 0.409 475 Y N 2.162 122.178 120.300 -0.473 0.000 2.151 475 Y HA -0.283 4.268 4.550 0.001 0.000 0.284 475 Y C 2.667 178.336 175.900 -0.385 0.000 1.166 475 Y CA 1.520 59.452 58.100 -0.280 0.000 1.163 475 Y CB -0.249 38.086 38.460 -0.208 0.000 0.974 475 Y HN -0.020 nan 8.280 nan 0.000 0.511 476 R N 0.163 120.230 120.500 -0.723 0.000 2.073 476 R HA -0.156 4.185 4.340 0.001 0.000 0.234 476 R C 2.275 178.220 176.300 -0.593 0.000 1.134 476 R CA 1.582 57.185 56.100 -0.827 0.000 0.952 476 R CB -1.247 28.480 30.300 -0.956 0.000 0.850 476 R HN 0.470 nan 8.270 nan 0.000 0.433 477 L N 0.837 121.767 121.223 -0.489 0.000 2.072 477 L HA 0.015 4.356 4.340 0.001 0.000 0.205 477 L C 2.283 178.937 176.870 -0.360 0.000 1.079 477 L CA 1.828 56.428 54.840 -0.401 0.000 0.752 477 L CB -0.643 41.191 42.059 -0.375 0.000 0.906 477 L HN 0.133 nan 8.230 nan 0.000 0.436 478 A N -0.483 122.161 122.820 -0.294 0.000 1.908 478 A HA -0.284 4.036 4.320 0.001 0.000 0.218 478 A C 2.429 179.832 177.584 -0.303 0.000 1.181 478 A CA 2.094 53.990 52.037 -0.236 0.000 0.627 478 A CB -0.611 18.360 19.000 -0.049 0.000 0.818 478 A HN 0.487 nan 8.150 nan 0.000 0.445 479 K N -0.499 119.664 120.400 -0.395 0.000 2.026 479 K HA -0.217 4.104 4.320 0.001 0.000 0.208 479 K C 2.080 178.522 176.600 -0.262 0.000 1.048 479 K CA 1.726 57.800 56.287 -0.356 0.000 0.929 479 K CB -0.149 32.032 32.500 -0.532 0.000 0.713 479 K HN 0.464 nan 8.250 nan 0.000 0.439 480 E N 0.319 120.354 120.200 -0.275 0.000 2.097 480 E HA -0.192 4.159 4.350 0.001 0.000 0.196 480 E C 1.380 177.870 176.600 -0.183 0.000 1.000 480 E CA 1.300 57.586 56.400 -0.192 0.000 0.804 480 E CB -0.098 29.499 29.700 -0.173 0.000 0.740 480 E HN 0.174 nan 8.360 nan 0.000 0.454 481 L N 0.863 121.927 121.223 -0.265 0.000 2.552 481 L HA 0.131 4.472 4.340 0.001 0.000 0.227 481 L C 0.459 177.195 176.870 -0.224 0.000 1.146 481 L CA 0.990 55.663 54.840 -0.277 0.000 0.858 481 L CB -0.703 41.087 42.059 -0.448 0.000 0.969 481 L HN 0.154 nan 8.230 nan 0.000 0.451 482 K N -0.140 120.145 120.400 -0.191 0.000 3.125 482 K HA -0.187 4.134 4.320 0.001 0.000 0.268 482 K C 0.021 176.533 176.600 -0.147 0.000 1.078 482 K CA 0.188 56.391 56.287 -0.141 0.000 0.775 482 K CB -0.925 31.512 32.500 -0.104 0.000 1.253 482 K HN 0.215 nan 8.250 nan 0.000 0.486 483 R N -0.044 120.344 120.500 -0.186 0.000 2.801 483 R HA 0.168 4.509 4.340 0.001 0.000 0.273 483 R C -2.155 174.100 176.300 -0.074 0.000 1.080 483 R CA -1.748 54.253 56.100 -0.164 0.000 1.197 483 R CB -0.515 29.662 30.300 -0.205 0.000 1.109 483 R HN -0.026 nan 8.270 nan 0.000 0.535 484 P HA -0.033 nan 4.420 nan 0.000 0.265 484 P C 0.518 177.828 177.300 0.016 0.000 1.187 484 P CA 0.233 63.328 63.100 -0.008 0.000 0.766 484 P CB 0.441 32.144 31.700 0.005 0.000 0.820 485 K N 3.831 124.241 120.400 0.017 0.000 2.113 485 K HA -0.224 4.097 4.320 0.001 0.000 0.208 485 K C 1.375 178.006 176.600 0.052 0.000 1.047 485 K CA 1.532 57.841 56.287 0.037 0.000 0.928 485 K CB -0.041 32.476 32.500 0.029 0.000 0.716 485 K HN 0.255 nan 8.250 nan 0.000 0.446 486 K N 0.579 121.001 120.400 0.037 0.000 2.057 486 K HA -0.162 4.159 4.320 0.001 0.000 0.207 486 K C 2.104 178.730 176.600 0.044 0.000 1.049 486 K CA 1.597 57.903 56.287 0.031 0.000 0.931 486 K CB -0.082 32.427 32.500 0.014 0.000 0.714 486 K HN 0.357 nan 8.250 nan 0.000 0.440 487 E N 0.785 121.030 120.200 0.074 0.000 2.031 487 E HA -0.154 4.197 4.350 0.001 0.000 0.193 487 E C 2.125 178.860 176.600 0.226 0.000 0.994 487 E CA 1.038 57.525 56.400 0.144 0.000 0.800 487 E CB -0.119 29.701 29.700 0.201 0.000 0.752 487 E HN 0.224 nan 8.360 nan 0.000 0.447 488 I N 0.864 121.548 120.570 0.190 0.000 2.208 488 I HA -0.278 3.892 4.170 0.001 0.000 0.245 488 I C 2.385 178.690 176.117 0.314 0.000 1.097 488 I CA 0.918 62.358 61.300 0.233 0.000 1.363 488 I CB -0.200 37.867 38.000 0.112 0.000 1.051 488 I HN -0.010 nan 8.210 nan 0.000 0.413 489 S N 0.747 116.565 115.700 0.196 0.000 2.402 489 S HA -0.127 4.344 4.470 0.001 0.000 0.229 489 S C 1.889 176.552 174.600 0.105 0.000 1.021 489 S CA 0.959 59.256 58.200 0.162 0.000 0.974 489 S CB -0.357 62.898 63.200 0.092 0.000 0.800 489 S HN 0.319 nan 8.310 nan 0.000 0.484 490 L N 0.795 122.032 121.223 0.023 0.000 2.056 490 L HA 0.056 4.397 4.340 0.001 0.000 0.207 490 L C 1.703 178.454 176.870 -0.199 0.000 1.078 490 L CA 1.808 56.554 54.840 -0.158 0.000 0.749 490 L CB -0.665 41.185 42.059 -0.347 0.000 0.901 490 L HN 0.186 nan 8.230 nan 0.000 0.433 491 F N -0.398 119.622 119.950 0.116 0.000 2.293 491 F HA 0.075 4.603 4.527 0.001 0.000 0.297 491 F C 2.485 178.343 175.800 0.098 0.000 1.089 491 F CA 0.875 58.943 58.000 0.113 0.000 1.377 491 F CB -1.169 37.896 39.000 0.109 0.000 1.051 491 F HN 0.152 nan 8.300 nan 0.000 0.511 492 A N 0.057 123.051 122.820 0.291 0.000 1.940 492 A HA -0.245 4.075 4.320 0.001 0.000 0.219 492 A C 2.305 180.027 177.584 0.229 0.000 1.176 492 A CA 1.902 54.001 52.037 0.104 0.000 0.631 492 A CB -0.705 18.419 19.000 0.207 0.000 0.814 492 A HN 0.341 nan 8.150 nan 0.000 0.446 493 K N -0.546 119.945 120.400 0.152 0.000 2.025 493 K HA -0.103 4.218 4.320 0.001 0.000 0.207 493 K C 2.249 178.912 176.600 0.105 0.000 1.049 493 K CA 1.263 57.611 56.287 0.101 0.000 0.933 493 K CB -0.167 32.347 32.500 0.023 0.000 0.714 493 K HN 0.424 nan 8.250 nan 0.000 0.438 494 R N -0.136 120.424 120.500 0.101 0.000 2.148 494 R HA -0.005 4.336 4.340 0.001 0.000 0.223 494 R C 2.203 178.652 176.300 0.249 0.000 1.088 494 R CA 0.836 57.011 56.100 0.125 0.000 0.985 494 R CB -0.169 30.222 30.300 0.153 0.000 0.880 494 R HN 0.214 nan 8.270 nan 0.000 0.451 495 A N 0.612 123.594 122.820 0.270 0.000 2.131 495 A HA -0.126 4.194 4.320 0.001 0.000 0.220 495 A C 1.825 179.726 177.584 0.527 0.000 1.158 495 A CA 1.137 53.386 52.037 0.354 0.000 0.665 495 A CB -0.161 18.910 19.000 0.117 0.000 0.795 495 A HN 0.119 nan 8.150 nan 0.000 0.460 496 M N 0.071 119.865 119.600 0.323 0.000 2.556 496 M HA 0.049 4.530 4.480 0.001 0.000 0.245 496 M C 1.043 177.235 176.300 -0.180 0.000 1.128 496 M CA 0.263 55.602 55.300 0.065 0.000 1.069 496 M CB -1.174 31.447 32.600 0.036 0.000 1.469 496 M HN 0.380 nan 8.290 nan 0.000 0.494 497 N N 0.599 119.337 118.700 0.064 0.000 2.348 497 N HA -0.195 4.546 4.740 0.001 0.000 0.185 497 N C 1.564 177.140 175.510 0.110 0.000 1.019 497 N CA 1.156 54.248 53.050 0.070 0.000 0.880 497 N CB -0.412 38.164 38.487 0.149 0.000 0.965 497 N HN 0.632 nan 8.380 nan 0.000 0.437 498 Y N 0.854 121.313 120.300 0.265 0.000 2.384 498 Y HA -0.063 4.488 4.550 0.001 0.000 0.289 498 Y C 1.830 177.840 175.900 0.183 0.000 1.152 498 Y CA 0.925 59.167 58.100 0.236 0.000 1.258 498 Y CB -0.485 38.117 38.460 0.236 0.000 0.979 498 Y HN -0.108 nan 8.280 nan 0.000 0.549 499 K N 0.675 120.857 120.400 -0.363 0.000 2.148 499 K HA -0.116 4.205 4.320 0.001 0.000 0.204 499 K C 1.362 177.988 176.600 0.042 0.000 1.050 499 K CA 1.181 57.376 56.287 -0.153 0.000 0.942 499 K CB -0.261 32.047 32.500 -0.321 0.000 0.724 499 K HN 0.444 nan 8.250 nan 0.000 0.446 500 N N 0.884 119.597 118.700 0.022 0.000 2.520 500 N HA -0.100 4.641 4.740 0.001 0.000 0.185 500 N C 1.178 176.663 175.510 -0.040 0.000 1.068 500 N CA 0.910 53.953 53.050 -0.010 0.000 0.911 500 N CB 0.156 38.670 38.487 0.044 0.000 0.961 500 N HN 0.236 nan 8.380 nan 0.000 0.446 501 L N -0.554 120.745 121.223 0.127 0.000 2.808 501 L HA 0.274 4.615 4.340 0.001 0.000 0.246 501 L C -0.019 177.002 176.870 0.251 0.000 1.153 501 L CA -0.353 54.603 54.840 0.193 0.000 0.956 501 L CB 0.096 42.230 42.059 0.124 0.000 1.270 501 L HN -0.043 nan 8.230 nan 0.000 0.528 502 F N 1.672 121.699 119.950 0.129 0.000 2.427 502 F HA 0.231 4.759 4.527 0.001 0.000 0.352 502 F C 0.346 176.054 175.800 -0.154 0.000 1.100 502 F CA -0.558 57.428 58.000 -0.025 0.000 1.191 502 F CB 0.740 39.750 39.000 0.016 0.000 1.128 502 F HN -0.095 nan 8.300 nan 0.000 0.533 503 D N 5.378 125.198 120.400 -0.966 0.000 2.280 503 D HA 0.244 4.885 4.640 0.001 0.000 0.236 503 D C 0.686 176.629 176.300 -0.595 0.000 1.082 503 D CA -0.065 53.364 54.000 -0.951 0.000 0.834 503 D CB 1.869 41.888 40.800 -1.302 0.000 1.100 503 D HN 0.707 nan 8.370 nan 0.000 0.486 504 K N 2.752 123.115 120.400 -0.062 0.000 2.057 504 K HA -0.067 4.254 4.320 0.001 0.000 0.206 504 K C 1.983 178.579 176.600 -0.006 0.000 1.050 504 K CA 2.030 58.423 56.287 0.176 0.000 0.935 504 K CB -1.385 31.209 32.500 0.156 0.000 0.715 504 K HN 0.631 nan 8.250 nan 0.000 0.439 505 E N 1.267 121.403 120.200 -0.106 0.000 2.051 505 E HA -0.169 4.182 4.350 0.001 0.000 0.192 505 E C 2.287 178.811 176.600 -0.126 0.000 0.991 505 E CA 2.177 58.522 56.400 -0.092 0.000 0.799 505 E CB -0.968 28.675 29.700 -0.095 0.000 0.748 505 E HN 0.864 nan 8.360 nan 0.000 0.449 506 S N -0.689 114.869 115.700 -0.237 0.000 2.446 506 S HA 0.086 4.557 4.470 0.001 0.000 0.225 506 S C 1.240 175.640 174.600 -0.334 0.000 1.016 506 S CA 0.808 58.868 58.200 -0.233 0.000 0.943 506 S CB 0.220 63.308 63.200 -0.187 0.000 0.786 506 S HN 0.544 nan 8.310 nan 0.000 0.508 507 K N 0.101 120.222 120.400 -0.466 0.000 3.379 507 K HA -0.093 4.228 4.320 0.001 0.000 0.300 507 K C -0.941 175.170 176.600 -0.815 0.000 1.302 507 K CA 0.526 56.531 56.287 -0.469 0.000 0.877 507 K CB -1.818 30.593 32.500 -0.149 0.000 1.343 507 K HN 0.437 nan 8.250 nan 0.000 0.488 508 L N 0.552 121.181 121.223 -0.991 0.000 2.333 508 L HA 0.513 4.854 4.340 0.001 0.000 0.263 508 L C 0.417 176.802 176.870 -0.810 0.000 1.014 508 L CA -1.366 52.963 54.840 -0.851 0.000 0.820 508 L CB 1.431 43.090 42.059 -0.667 0.000 1.352 508 L HN -0.106 nan 8.230 nan 0.000 0.421 509 M N 2.061 121.364 119.600 -0.495 0.000 2.248 509 M HA 0.296 4.777 4.480 0.001 0.000 0.337 509 M C -0.232 175.978 176.300 -0.151 0.000 1.121 509 M CA 0.559 55.724 55.300 -0.226 0.000 1.155 509 M CB 0.442 33.064 32.600 0.037 0.000 1.514 509 M HN 0.542 nan 8.290 nan 0.000 0.452 510 R N 0.301 120.670 120.500 -0.219 0.000 2.643 510 R HA 0.542 4.883 4.340 0.001 0.000 0.269 510 R C -0.437 175.756 176.300 -0.178 0.000 1.037 510 R CA -0.517 55.363 56.100 -0.367 0.000 0.894 510 R CB 1.379 30.995 30.300 -1.139 0.000 1.238 510 R HN 0.875 nan 8.270 nan 0.000 0.459 511 G N 2.687 111.358 108.800 -0.216 0.000 2.380 511 G HA2 0.151 4.112 3.960 0.001 0.000 0.242 511 G HA3 0.151 4.112 3.960 0.001 0.000 0.242 511 G C -0.734 174.092 174.900 -0.124 0.000 1.298 511 G CA -0.206 44.801 45.100 -0.156 0.000 0.878 511 G HN 0.550 nan 8.290 nan 0.000 0.542 512 R N 1.762 122.216 120.500 -0.077 0.000 2.621 512 R HA 0.207 4.547 4.340 0.001 0.000 0.292 512 R C -0.295 176.000 176.300 -0.009 0.000 0.969 512 R CA -0.865 55.093 56.100 -0.236 0.000 0.887 512 R CB 1.041 30.881 30.300 -0.767 0.000 1.180 512 R HN 0.599 nan 8.270 nan 0.000 0.450 513 N N 1.655 120.339 118.700 -0.027 0.000 2.424 513 N HA -0.055 4.686 4.740 0.001 0.000 0.257 513 N C 0.611 176.210 175.510 0.149 0.000 1.250 513 N CA -0.031 53.068 53.050 0.080 0.000 0.946 513 N CB 1.035 39.541 38.487 0.033 0.000 1.175 513 N HN 0.708 nan 8.380 nan 0.000 0.477 514 E N 0.433 120.687 120.200 0.090 0.000 2.110 514 E HA -0.222 4.128 4.350 0.001 0.000 0.193 514 E C 0.473 177.118 176.600 0.075 0.000 0.988 514 E CA 1.290 57.729 56.400 0.065 0.000 0.804 514 E CB 0.047 29.759 29.700 0.021 0.000 0.745 514 E HN 0.582 nan 8.360 nan 0.000 0.458 515 D N -1.235 119.192 120.400 0.046 0.000 2.371 515 D HA -0.039 4.602 4.640 0.001 0.000 0.221 515 D C 1.325 177.631 176.300 0.011 0.000 0.986 515 D CA 1.115 55.129 54.000 0.022 0.000 0.899 515 D CB 0.111 40.915 40.800 0.007 0.000 0.902 515 D HN 0.359 nan 8.370 nan 0.000 0.530 516 G N -0.587 108.226 108.800 0.022 0.000 2.213 516 G HA2 -0.239 3.722 3.960 0.001 0.000 0.226 516 G HA3 -0.239 3.722 3.960 0.001 0.000 0.226 516 G C 0.437 175.196 174.900 -0.234 0.000 0.992 516 G CA 0.251 45.313 45.100 -0.063 0.000 0.632 516 G HN 0.698 nan 8.290 nan 0.000 0.511 517 T N 0.237 114.692 114.554 -0.164 0.000 2.907 517 T HA 0.609 4.960 4.350 0.001 0.000 0.298 517 T C 0.300 174.850 174.700 -0.249 0.000 1.017 517 T CA -0.475 61.518 62.100 -0.178 0.000 1.118 517 T CB 1.587 70.409 68.868 -0.075 0.000 0.948 517 T HN 0.197 nan 8.240 nan 0.000 0.531 518 F N 1.950 121.787 119.950 -0.189 0.000 2.450 518 F HA 0.207 4.734 4.527 0.001 0.000 0.339 518 F C 1.212 176.848 175.800 -0.273 0.000 1.146 518 F CA -0.474 57.357 58.000 -0.281 0.000 1.267 518 F CB 0.641 39.442 39.000 -0.332 0.000 1.178 518 F HN 0.589 nan 8.300 nan 0.000 0.585 519 Q N 2.364 122.079 119.800 -0.141 0.000 2.352 519 Q HA 0.246 4.587 4.340 0.001 0.000 0.260 519 Q C -0.983 174.905 176.000 -0.187 0.000 0.976 519 Q CA 0.125 55.756 55.803 -0.286 0.000 0.881 519 Q CB 1.179 29.430 28.738 -0.812 0.000 1.235 519 Q HN 0.729 nan 8.270 nan 0.000 0.419 520 S N 2.857 118.495 115.700 -0.103 0.000 2.715 520 S HA 0.612 5.083 4.470 0.001 0.000 0.307 520 S C -2.467 172.135 174.600 0.003 0.000 1.119 520 S CA -0.997 57.188 58.200 -0.025 0.000 0.937 520 S CB 1.177 64.373 63.200 -0.006 0.000 1.150 520 S HN 0.814 nan 8.310 nan 0.000 0.521 521 P HA -0.112 nan 4.420 nan 0.000 0.267 521 P C -1.254 176.108 177.300 0.104 0.000 1.158 521 P CA 0.259 63.393 63.100 0.055 0.000 0.756 521 P CB 0.014 31.740 31.700 0.043 0.000 0.766 522 F N 2.564 122.466 119.950 -0.081 0.000 2.388 522 F HA 0.348 4.875 4.527 0.001 0.000 0.358 522 F C -0.435 175.329 175.800 -0.060 0.000 1.122 522 F CA -1.194 56.744 58.000 -0.104 0.000 1.056 522 F CB 0.902 39.811 39.000 -0.153 0.000 1.155 522 F HN 0.167 nan 8.300 nan 0.000 0.461 523 S N 8.786 124.271 115.700 -0.358 0.000 2.532 523 S HA 0.285 4.756 4.470 0.001 0.000 0.318 523 S C -2.012 172.197 174.600 -0.652 0.000 1.083 523 S CA -1.027 56.919 58.200 -0.424 0.000 1.131 523 S CB 1.270 64.403 63.200 -0.112 0.000 0.973 523 S HN 0.473 nan 8.310 nan 0.000 0.468 524 P HA 0.009 nan 4.420 nan 0.000 0.220 524 P C 0.662 177.843 177.300 -0.199 0.000 1.148 524 P CA 0.769 63.447 63.100 -0.705 0.000 0.803 524 P CB 0.102 31.488 31.700 -0.524 0.000 0.782 525 L N -1.521 119.665 121.223 -0.062 0.000 2.592 525 L HA 0.125 4.465 4.340 0.001 0.000 0.227 525 L C 1.186 178.189 176.870 0.221 0.000 1.127 525 L CA -0.123 54.778 54.840 0.101 0.000 0.884 525 L CB -0.324 41.804 42.059 0.114 0.000 1.065 525 L HN -0.073 nan 8.230 nan 0.000 0.457 526 K N 0.396 120.885 120.400 0.147 0.000 2.276 526 K HA 0.084 4.405 4.320 0.001 0.000 0.283 526 K C -1.105 175.727 176.600 0.387 0.000 1.044 526 K CA -0.541 55.925 56.287 0.298 0.000 0.944 526 K CB 0.658 33.278 32.500 0.199 0.000 1.012 526 K HN -0.128 nan 8.250 nan 0.000 0.472 527 W N 2.937 124.389 121.300 0.254 0.000 2.381 527 W HA 0.434 5.095 4.660 0.001 0.000 0.329 527 W C 0.809 177.512 176.519 0.306 0.000 1.157 527 W CA 0.928 58.467 57.345 0.324 0.000 1.240 527 W CB 1.005 30.703 29.460 0.397 0.000 1.199 527 W HN 0.996 nan 8.180 nan 0.000 0.579 528 G N 1.855 110.913 108.800 0.429 0.000 2.593 528 G HA2 -0.171 3.790 3.960 0.001 0.000 0.237 528 G HA3 -0.171 3.790 3.960 0.001 0.000 0.237 528 G C 0.317 174.922 174.900 -0.491 0.000 1.312 528 G CA 0.554 45.598 45.100 -0.093 0.000 0.896 528 G HN 0.724 nan 8.290 nan 0.000 0.574 529 D N -2.755 116.792 120.400 -1.421 0.000 4.529 529 D HA -0.193 4.447 4.640 0.001 0.000 0.151 529 D C 2.153 178.184 176.300 -0.449 0.000 0.685 529 D CA 3.935 57.423 54.000 -0.854 0.000 1.198 529 D CB -1.584 39.023 40.800 -0.322 0.000 0.658 529 D HN 1.844 nan 8.370 nan 0.000 0.542 530 A N -0.235 122.423 122.820 -0.270 0.000 2.066 530 A HA 0.252 4.573 4.320 0.001 0.000 0.218 530 A C 1.091 178.186 177.584 -0.815 0.000 1.157 530 A CA 1.339 53.081 52.037 -0.492 0.000 0.670 530 A CB -0.264 18.379 19.000 -0.596 0.000 0.804 530 A HN 0.243 nan 8.150 nan 0.000 0.453 531 F N -1.498 118.335 119.950 -0.194 0.000 2.661 531 F HA 0.516 5.044 4.527 0.001 0.000 0.347 531 F C 0.569 176.280 175.800 -0.149 0.000 1.086 531 F CA -0.386 57.460 58.000 -0.256 0.000 1.016 531 F CB 1.282 40.190 39.000 -0.154 0.000 1.368 531 F HN -0.141 nan 8.300 nan 0.000 0.505 532 T N -2.077 112.587 114.554 0.183 0.000 2.791 532 T HA 0.417 4.768 4.350 0.001 0.000 0.288 532 T C -0.617 174.322 174.700 0.398 0.000 0.999 532 T CA -0.594 61.647 62.100 0.235 0.000 0.952 532 T CB 0.792 69.727 68.868 0.111 0.000 0.938 532 T HN 0.691 nan 8.240 nan 0.000 0.444 533 E N 1.359 121.814 120.200 0.425 0.000 2.252 533 E HA -0.104 4.246 4.350 0.001 0.000 0.218 533 E C 0.390 177.121 176.600 0.218 0.000 1.253 533 E CA 0.855 57.510 56.400 0.424 0.000 0.705 533 E CB -1.526 28.320 29.700 0.242 0.000 1.172 533 E HN 1.261 nan 8.360 nan 0.000 0.369 534 G N 0.086 108.884 108.800 -0.003 0.000 2.349 534 G HA2 0.431 4.392 3.960 0.001 0.000 0.294 534 G HA3 0.431 4.392 3.960 0.001 0.000 0.294 534 G C -1.425 173.168 174.900 -0.512 0.000 1.380 534 G CA -0.356 44.437 45.100 -0.511 0.000 0.811 534 G HN 0.165 nan 8.290 nan 0.000 0.519 535 N N -1.676 116.581 118.700 -0.738 0.000 2.890 535 N HA 0.582 5.323 4.740 0.001 0.000 0.317 535 N C 1.178 176.097 175.510 -0.984 0.000 1.355 535 N CA 0.090 52.709 53.050 -0.719 0.000 0.803 535 N CB 1.178 39.319 38.487 -0.578 0.000 1.465 535 N HN 0.488 nan 8.380 nan 0.000 0.591 536 S N -1.157 113.964 115.700 -0.964 0.000 2.402 536 S HA -0.136 4.335 4.470 0.001 0.000 0.233 536 S C 0.914 175.084 174.600 -0.717 0.000 1.030 536 S CA 1.276 58.918 58.200 -0.929 0.000 1.003 536 S CB -0.583 62.371 63.200 -0.410 0.000 0.813 536 S HN 0.565 nan 8.310 nan 0.000 0.477 537 W N 0.708 121.640 121.300 -0.613 0.000 2.465 537 W HA -0.019 4.642 4.660 0.001 0.000 0.268 537 W C 2.156 178.479 176.519 -0.327 0.000 1.242 537 W CA 1.172 58.231 57.345 -0.476 0.000 1.248 537 W CB -0.218 28.968 29.460 -0.457 0.000 1.118 537 W HN 0.592 nan 8.180 nan 0.000 0.587 538 H N -4.049 114.956 119.070 -0.109 0.000 2.418 538 H HA 0.005 4.562 4.556 0.001 0.000 0.300 538 H C 1.380 176.628 175.328 -0.132 0.000 1.041 538 H CA 1.078 57.067 56.048 -0.098 0.000 1.364 538 H CB -0.382 29.203 29.762 -0.297 0.000 1.439 538 H HN 0.046 nan 8.280 nan 0.000 0.540 539 Y N 0.914 121.089 120.300 -0.208 0.000 2.457 539 Y HA -0.116 4.434 4.550 0.001 0.000 0.292 539 Y C 2.306 178.116 175.900 -0.150 0.000 1.125 539 Y CA 0.807 58.848 58.100 -0.098 0.000 1.254 539 Y CB 0.242 38.684 38.460 -0.029 0.000 1.012 539 Y HN 0.119 nan 8.280 nan 0.000 0.555 540 T N -0.819 113.541 114.554 -0.325 0.000 2.849 540 T HA -0.246 4.104 4.350 0.001 0.000 0.270 540 T C 0.843 175.229 174.700 -0.524 0.000 1.066 540 T CA 1.659 63.446 62.100 -0.523 0.000 1.130 540 T CB -0.472 67.824 68.868 -0.953 0.000 0.864 540 T HN 0.500 nan 8.240 nan 0.000 0.481 541 W N 1.353 122.596 121.300 -0.096 0.000 3.180 541 W HA 0.250 4.911 4.660 0.001 0.000 0.254 541 W C 1.004 177.437 176.519 -0.143 0.000 1.318 541 W CA -0.534 56.738 57.345 -0.121 0.000 1.608 541 W CB -0.243 29.086 29.460 -0.218 0.000 1.124 541 W HN -0.044 nan 8.180 nan 0.000 0.694 542 S N 1.292 116.956 115.700 -0.060 0.000 4.183 542 S HA 0.226 4.696 4.470 0.001 0.000 0.195 542 S C 0.172 174.494 174.600 -0.464 0.000 1.421 542 S CA -0.007 57.939 58.200 -0.424 0.000 0.920 542 S CB -0.310 62.904 63.200 0.024 0.000 1.525 542 S HN -0.045 nan 8.310 nan 0.000 0.447 543 V N 2.781 122.334 119.914 -0.600 0.000 2.575 543 V HA 0.199 4.319 4.120 0.001 0.000 0.281 543 V C 0.407 176.229 176.094 -0.454 0.000 1.087 543 V CA -0.490 61.522 62.300 -0.479 0.000 1.193 543 V CB -0.752 30.666 31.823 -0.675 0.000 1.426 543 V HN 0.628 nan 8.190 nan 0.000 0.623 544 F N 0.580 120.417 119.950 -0.188 0.000 2.120 544 F HA -0.223 4.305 4.527 0.001 0.000 0.300 544 F C 2.557 178.230 175.800 -0.213 0.000 1.095 544 F CA 2.161 59.983 58.000 -0.296 0.000 1.249 544 F CB -0.589 38.035 39.000 -0.627 0.000 0.995 544 F HN 0.631 nan 8.300 nan 0.000 0.480 545 H N -1.939 117.023 119.070 -0.179 0.000 2.548 545 H HA 0.128 4.685 4.556 0.001 0.000 0.268 545 H C -0.125 175.133 175.328 -0.117 0.000 0.975 545 H CA 1.055 56.829 56.048 -0.457 0.000 1.195 545 H CB -0.329 28.715 29.762 -1.197 0.000 1.397 545 H HN 0.245 nan 8.280 nan 0.000 0.572 546 D N 0.287 120.353 120.400 -0.556 0.000 2.945 546 D HA 0.226 4.867 4.640 0.001 0.000 0.340 546 D C -2.041 174.042 176.300 -0.361 0.000 1.240 546 D CA -1.931 51.851 54.000 -0.363 0.000 0.749 546 D CB 0.870 41.487 40.800 -0.306 0.000 1.217 546 D HN -0.008 nan 8.370 nan 0.000 0.514 547 P HA -0.182 nan 4.420 nan 0.000 0.215 547 P C 1.411 178.534 177.300 -0.295 0.000 1.153 547 P CA 1.118 63.986 63.100 -0.387 0.000 0.853 547 P CB 0.407 31.653 31.700 -0.757 0.000 0.788 548 Q N 0.094 119.794 119.800 -0.166 0.000 2.096 548 Q HA -0.118 4.223 4.340 0.001 0.000 0.204 548 Q C 2.202 178.118 176.000 -0.140 0.000 0.982 548 Q CA 2.351 58.064 55.803 -0.150 0.000 0.850 548 Q CB -1.593 27.095 28.738 -0.083 0.000 0.901 548 Q HN 0.175 nan 8.270 nan 0.000 0.422 549 G N 0.640 109.380 108.800 -0.100 0.000 2.469 549 G HA2 -0.274 3.687 3.960 0.001 0.000 0.219 549 G HA3 -0.274 3.687 3.960 0.001 0.000 0.219 549 G C 1.323 176.202 174.900 -0.035 0.000 1.150 549 G CA 1.056 46.152 45.100 -0.006 0.000 0.763 549 G HN 0.421 nan 8.290 nan 0.000 0.561 550 L N 0.670 121.818 121.223 -0.125 0.000 2.072 550 L HA 0.170 4.511 4.340 0.001 0.000 0.205 550 L C 2.690 179.549 176.870 -0.017 0.000 1.079 550 L CA 1.144 55.945 54.840 -0.065 0.000 0.752 550 L CB -0.434 41.601 42.059 -0.041 0.000 0.906 550 L HN 0.262 nan 8.230 nan 0.000 0.436 551 I N -0.188 120.274 120.570 -0.179 0.000 2.208 551 I HA -0.331 3.840 4.170 0.001 0.000 0.245 551 I C 2.007 178.088 176.117 -0.061 0.000 1.097 551 I CA 1.482 62.651 61.300 -0.218 0.000 1.363 551 I CB -0.522 37.211 38.000 -0.446 0.000 1.051 551 I HN 0.322 nan 8.210 nan 0.000 0.413 552 D N 0.869 121.211 120.400 -0.097 0.000 2.097 552 D HA -0.139 4.502 4.640 0.001 0.000 0.195 552 D C 2.243 178.463 176.300 -0.134 0.000 0.989 552 D CA 1.326 55.273 54.000 -0.088 0.000 0.827 552 D CB -0.440 40.307 40.800 -0.089 0.000 0.966 552 D HN 0.292 nan 8.370 nan 0.000 0.456 553 L N -0.163 120.907 121.223 -0.255 0.000 2.187 553 L HA -0.090 4.250 4.340 0.001 0.000 0.213 553 L C 2.464 179.090 176.870 -0.406 0.000 1.100 553 L CA 0.978 55.474 54.840 -0.572 0.000 0.765 553 L CB -0.525 40.762 42.059 -1.287 0.000 0.904 553 L HN -0.045 nan 8.230 nan 0.000 0.437 554 M N -0.380 119.173 119.600 -0.079 0.000 2.558 554 M HA 0.147 4.628 4.480 0.001 0.000 0.255 554 M C 0.973 177.350 176.300 0.127 0.000 1.113 554 M CA 0.838 56.242 55.300 0.174 0.000 1.097 554 M CB 0.129 32.908 32.600 0.299 0.000 1.426 554 M HN 0.460 nan 8.290 nan 0.000 0.488 555 G N 1.209 110.044 108.800 0.059 0.000 2.392 555 G HA2 0.109 4.070 3.960 0.001 0.000 0.215 555 G HA3 0.109 4.070 3.960 0.001 0.000 0.215 555 G C 0.213 175.155 174.900 0.070 0.000 1.097 555 G CA -0.165 44.967 45.100 0.054 0.000 0.840 555 G HN 0.874 nan 8.290 nan 0.000 0.492 556 G N -0.374 108.462 108.800 0.059 0.000 2.699 556 G HA2 0.197 4.157 3.960 0.001 0.000 0.686 556 G HA3 0.197 4.157 3.960 0.001 0.000 0.686 556 G C 0.893 175.862 174.900 0.115 0.000 1.301 556 G CA 0.427 45.563 45.100 0.061 0.000 0.816 556 G HN 1.593 nan 8.290 nan 0.000 0.595 557 K N 0.011 120.468 120.400 0.095 0.000 2.057 557 K HA -0.092 4.229 4.320 0.001 0.000 0.207 557 K C 1.854 178.595 176.600 0.236 0.000 1.049 557 K CA 2.203 58.581 56.287 0.152 0.000 0.931 557 K CB -0.130 32.427 32.500 0.095 0.000 0.714 557 K HN 0.453 nan 8.250 nan 0.000 0.440 558 E N 1.387 121.693 120.200 0.175 0.000 2.070 558 E HA -0.152 4.198 4.350 0.001 0.000 0.197 558 E C 2.126 178.843 176.600 0.194 0.000 1.004 558 E CA 2.113 58.617 56.400 0.174 0.000 0.805 558 E CB -0.340 29.440 29.700 0.133 0.000 0.744 558 E HN 0.391 nan 8.360 nan 0.000 0.451 559 M N -0.748 118.964 119.600 0.187 0.000 2.229 559 M HA -0.053 4.428 4.480 0.001 0.000 0.264 559 M C 2.042 178.479 176.300 0.228 0.000 1.063 559 M CA 1.055 56.464 55.300 0.180 0.000 1.114 559 M CB -0.301 32.391 32.600 0.153 0.000 1.387 559 M HN 0.086 nan 8.290 nan 0.000 0.420 560 F N 1.249 121.275 119.950 0.127 0.000 2.075 560 F HA -0.171 4.356 4.527 0.001 0.000 0.297 560 F C 2.139 178.039 175.800 0.167 0.000 1.113 560 F CA 1.505 59.599 58.000 0.155 0.000 1.218 560 F CB -0.212 38.863 39.000 0.125 0.000 0.984 560 F HN -0.228 nan 8.300 nan 0.000 0.472 561 V N -0.115 119.984 119.914 0.309 0.000 2.407 561 V HA -0.318 3.803 4.120 0.001 0.000 0.248 561 V C 2.313 178.506 176.094 0.166 0.000 1.055 561 V CA 2.360 64.792 62.300 0.220 0.000 1.049 561 V CB -1.132 30.875 31.823 0.307 0.000 0.662 561 V HN 0.447 nan 8.190 nan 0.000 0.455 562 T N -0.361 114.294 114.554 0.168 0.000 2.720 562 T HA -0.293 4.058 4.350 0.001 0.000 0.268 562 T C 1.869 176.659 174.700 0.149 0.000 1.037 562 T CA 2.242 64.435 62.100 0.154 0.000 1.144 562 T CB -0.310 68.643 68.868 0.142 0.000 0.864 562 T HN 0.312 nan 8.240 nan 0.000 0.444 563 M N 0.574 120.254 119.600 0.133 0.000 2.086 563 M HA 0.050 4.531 4.480 0.001 0.000 0.261 563 M C 2.125 178.580 176.300 0.259 0.000 1.067 563 M CA 1.572 56.996 55.300 0.206 0.000 1.116 563 M CB -0.431 32.246 32.600 0.129 0.000 1.348 563 M HN 0.173 nan 8.290 nan 0.000 0.407 564 M N -0.438 119.162 119.600 0.000 0.000 2.065 564 M HA -0.254 4.227 4.480 0.001 0.000 0.259 564 M C 1.645 177.945 176.300 -0.001 0.000 1.069 564 M CA 1.783 56.925 55.300 -0.264 0.000 1.110 564 M CB -1.084 31.085 32.600 -0.718 0.000 1.328 564 M HN 0.205 nan 8.290 nan 0.000 0.405 565 D N 0.550 121.057 120.400 0.178 0.000 2.182 565 D HA -0.116 4.525 4.640 0.001 0.000 0.201 565 D C 2.035 178.445 176.300 0.183 0.000 0.986 565 D CA 1.855 56.035 54.000 0.300 0.000 0.847 565 D CB -0.232 40.727 40.800 0.265 0.000 0.942 565 D HN 0.420 nan 8.370 nan 0.000 0.467 566 S N -0.430 115.316 115.700 0.078 0.000 2.522 566 S HA -0.030 4.441 4.470 0.001 0.000 0.227 566 S C 2.113 176.539 174.600 -0.291 0.000 0.986 566 S CA 0.150 58.317 58.200 -0.056 0.000 0.929 566 S CB -0.166 63.017 63.200 -0.030 0.000 0.769 566 S HN 0.045 nan 8.310 nan 0.000 0.529 567 V N 0.981 120.716 119.914 -0.298 0.000 2.343 567 V HA -0.121 3.999 4.120 0.001 0.000 0.247 567 V C 2.051 177.803 176.094 -0.570 0.000 1.051 567 V CA 1.873 63.863 62.300 -0.518 0.000 1.036 567 V CB -0.945 30.549 31.823 -0.548 0.000 0.654 567 V HN 0.535 nan 8.190 nan 0.000 0.451 568 F N 0.304 120.073 119.950 -0.301 0.000 2.416 568 F HA 0.147 4.675 4.527 0.001 0.000 0.296 568 F C 2.315 178.036 175.800 -0.132 0.000 1.099 568 F CA 0.952 58.761 58.000 -0.318 0.000 1.427 568 F CB -0.734 37.876 39.000 -0.651 0.000 1.079 568 F HN 0.076 nan 8.300 nan 0.000 0.536 569 A N 0.225 123.082 122.820 0.062 0.000 2.016 569 A HA 0.103 4.424 4.320 0.001 0.000 0.217 569 A C 1.067 178.642 177.584 -0.016 0.000 1.162 569 A CA 0.814 52.889 52.037 0.063 0.000 0.662 569 A CB -0.988 18.052 19.000 0.067 0.000 0.812 569 A HN 0.097 nan 8.150 nan 0.000 0.450 570 V N -1.818 118.025 119.914 -0.119 0.000 2.686 570 V HA 0.490 4.610 4.120 0.001 0.000 0.295 570 V C -2.599 173.437 176.094 -0.096 0.000 1.057 570 V CA -2.599 59.617 62.300 -0.141 0.000 1.012 570 V CB 0.915 32.568 31.823 -0.283 0.000 1.006 570 V HN 0.220 nan 8.190 nan 0.000 0.477 571 P HA 0.209 nan 4.420 nan 0.000 0.269 571 P C -2.562 174.734 177.300 -0.007 0.000 1.217 571 P CA -1.387 61.706 63.100 -0.012 0.000 0.783 571 P CB -0.248 31.451 31.700 -0.002 0.000 0.898 572 P HA 0.132 nan 4.420 nan 0.000 0.218 572 P C 0.040 177.460 177.300 0.200 0.000 1.793 572 P CA -0.213 62.948 63.100 0.101 0.000 0.941 572 P CB -0.355 31.405 31.700 0.101 0.000 1.919 573 I N 2.591 123.243 120.570 0.137 0.000 2.764 573 I HA 0.519 4.690 4.170 0.001 0.000 0.294 573 I C -0.185 176.090 176.117 0.264 0.000 1.045 573 I CA -1.589 59.790 61.300 0.131 0.000 1.340 573 I CB -0.184 37.812 38.000 -0.006 0.000 1.436 573 I HN 0.115 nan 8.210 nan 0.000 0.567 574 F N 3.071 123.058 119.950 0.060 0.000 2.741 574 F HA 0.522 5.049 4.527 0.001 0.000 0.311 574 F C -1.683 174.170 175.800 0.088 0.000 1.149 574 F CA -1.166 56.913 58.000 0.131 0.000 0.930 574 F CB 1.071 40.112 39.000 0.067 0.000 1.312 574 F HN 0.369 nan 8.300 nan 0.000 0.450 575 D N 1.470 122.070 120.400 0.334 0.000 2.473 575 D HA 0.220 4.861 4.640 0.001 0.000 0.253 575 D C -0.678 175.846 176.300 0.373 0.000 1.233 575 D CA -0.402 53.719 54.000 0.202 0.000 0.908 575 D CB 1.266 42.163 40.800 0.163 0.000 1.170 575 D HN 0.698 nan 8.370 nan 0.000 0.558 576 D N 1.524 122.126 120.400 0.337 0.000 2.368 576 D HA -0.053 4.587 4.640 0.001 0.000 0.218 576 D C 1.051 177.547 176.300 0.327 0.000 1.112 576 D CA -0.116 54.112 54.000 0.380 0.000 0.834 576 D CB -0.036 40.957 40.800 0.322 0.000 0.953 576 D HN 0.221 nan 8.370 nan 0.000 0.505 577 S N 0.040 115.887 115.700 0.245 0.000 2.407 577 S HA -0.313 4.158 4.470 0.001 0.000 0.235 577 S C 1.834 176.540 174.600 0.175 0.000 1.036 577 S CA 0.848 59.153 58.200 0.175 0.000 1.013 577 S CB -1.087 62.197 63.200 0.140 0.000 0.820 577 S HN 0.476 nan 8.310 nan 0.000 0.476 578 Y N 1.165 121.506 120.300 0.069 0.000 2.439 578 Y HA 0.029 4.580 4.550 0.001 0.000 0.292 578 Y C 1.350 177.118 175.900 -0.221 0.000 1.130 578 Y CA 0.723 58.761 58.100 -0.102 0.000 1.254 578 Y CB -0.120 38.227 38.460 -0.189 0.000 1.000 578 Y HN 0.263 nan 8.280 nan 0.000 0.554 579 Y N -1.421 118.912 120.300 0.055 0.000 2.442 579 Y HA 0.316 4.866 4.550 0.001 0.000 0.250 579 Y C 2.106 177.992 175.900 -0.023 0.000 1.113 579 Y CA 0.280 58.356 58.100 -0.041 0.000 1.273 579 Y CB 0.430 38.914 38.460 0.040 0.000 1.138 579 Y HN 0.092 nan 8.280 nan 0.000 0.522 580 G N 0.552 109.443 108.800 0.152 0.000 2.328 580 G HA2 -0.305 3.655 3.960 0.001 0.000 0.256 580 G HA3 -0.305 3.655 3.960 0.001 0.000 0.256 580 G C 0.326 175.291 174.900 0.109 0.000 1.014 580 G CA 0.759 45.917 45.100 0.097 0.000 0.620 580 G HN 0.462 nan 8.290 nan 0.000 0.530 581 Q N -0.799 119.080 119.800 0.132 0.000 2.495 581 Q HA 0.678 5.019 4.340 0.001 0.000 0.287 581 Q C -0.551 175.473 176.000 0.041 0.000 1.078 581 Q CA -0.869 54.991 55.803 0.094 0.000 0.793 581 Q CB 2.086 30.883 28.738 0.098 0.000 1.459 581 Q HN 0.380 nan 8.270 nan 0.000 0.422 582 V N 3.618 123.535 119.914 0.004 0.000 2.242 582 V HA 0.088 4.209 4.120 0.001 0.000 0.242 582 V C 0.785 176.735 176.094 -0.239 0.000 1.240 582 V CA -0.163 62.055 62.300 -0.137 0.000 1.211 582 V CB -1.785 29.981 31.823 -0.096 0.000 1.338 582 V HN 0.641 nan 8.190 nan 0.000 0.499 583 I N 0.579 120.934 120.570 -0.359 0.000 3.045 583 I HA 0.072 4.243 4.170 0.001 0.000 0.288 583 I C 1.860 177.711 176.117 -0.444 0.000 1.238 583 I CA 0.005 61.059 61.300 -0.411 0.000 1.396 583 I CB 0.147 37.769 38.000 -0.631 0.000 1.355 583 I HN 0.715 nan 8.210 nan 0.000 0.601 584 H N 2.410 121.263 119.070 -0.362 0.000 2.390 584 H HA -0.188 4.369 4.556 0.001 0.000 0.298 584 H C 1.495 176.670 175.328 -0.255 0.000 1.106 584 H CA 1.723 57.614 56.048 -0.261 0.000 1.297 584 H CB -0.466 29.191 29.762 -0.175 0.000 1.375 584 H HN 0.757 nan 8.280 nan 0.000 0.509 585 E N 1.033 120.716 120.200 -0.862 0.000 2.274 585 E HA -0.091 4.260 4.350 0.001 0.000 0.194 585 E C 2.128 178.456 176.600 -0.453 0.000 0.996 585 E CA 1.036 57.124 56.400 -0.519 0.000 0.840 585 E CB -0.148 29.300 29.700 -0.421 0.000 0.772 585 E HN 0.639 nan 8.360 nan 0.000 0.491 586 I N 0.922 121.006 120.570 -0.809 0.000 2.277 586 I HA -0.171 3.999 4.170 0.001 0.000 0.243 586 I C 2.785 178.494 176.117 -0.680 0.000 1.094 586 I CA 0.671 61.293 61.300 -1.129 0.000 1.393 586 I CB -0.156 36.894 38.000 -1.585 0.000 1.078 586 I HN 0.019 nan 8.210 nan 0.000 0.417 587 R N 1.701 121.897 120.500 -0.507 0.000 2.096 587 R HA -0.218 4.123 4.340 0.001 0.000 0.240 587 R C 1.985 178.175 176.300 -0.184 0.000 1.139 587 R CA 1.854 57.776 56.100 -0.296 0.000 0.952 587 R CB -0.466 29.728 30.300 -0.175 0.000 0.854 587 R HN 0.353 nan 8.270 nan 0.000 0.436 588 E N -0.428 119.683 120.200 -0.149 0.000 2.160 588 E HA -0.246 4.105 4.350 0.001 0.000 0.195 588 E C 1.950 178.507 176.600 -0.071 0.000 0.991 588 E CA 1.600 57.956 56.400 -0.072 0.000 0.810 588 E CB -0.224 29.456 29.700 -0.034 0.000 0.742 588 E HN 0.408 nan 8.360 nan 0.000 0.466 589 M N 0.765 120.307 119.600 -0.098 0.000 2.156 589 M HA -0.150 4.331 4.480 0.001 0.000 0.264 589 M C 2.481 178.766 176.300 -0.025 0.000 1.067 589 M CA 1.912 57.188 55.300 -0.040 0.000 1.131 589 M CB -0.256 32.371 32.600 0.045 0.000 1.368 589 M HN 0.195 nan 8.290 nan 0.000 0.416 590 T N -1.115 113.396 114.554 -0.071 0.000 2.788 590 T HA -0.109 4.241 4.350 0.001 0.000 0.268 590 T C 1.537 176.240 174.700 0.006 0.000 1.044 590 T CA 1.719 63.808 62.100 -0.019 0.000 1.139 590 T CB -1.470 67.378 68.868 -0.033 0.000 0.867 590 T HN 0.424 nan 8.240 nan 0.000 0.454 591 V N -0.671 119.237 119.914 -0.010 0.000 2.809 591 V HA 0.143 4.264 4.120 0.001 0.000 0.256 591 V C 2.600 178.705 176.094 0.018 0.000 1.080 591 V CA 1.298 63.601 62.300 0.005 0.000 1.102 591 V CB -1.193 30.629 31.823 -0.002 0.000 0.705 591 V HN 0.392 nan 8.190 nan 0.000 0.475 592 M N 0.650 120.262 119.600 0.021 0.000 2.319 592 M HA 0.049 4.530 4.480 0.001 0.000 0.265 592 M C 1.255 177.593 176.300 0.063 0.000 1.068 592 M CA 1.471 56.794 55.300 0.038 0.000 1.118 592 M CB -0.618 32.008 32.600 0.045 0.000 1.395 592 M HN 0.686 nan 8.290 nan 0.000 0.435 593 N N 0.966 119.705 118.700 0.065 0.000 2.756 593 N HA -0.171 4.570 4.740 0.001 0.000 0.248 593 N C -0.766 174.818 175.510 0.123 0.000 1.062 593 N CA 0.022 53.120 53.050 0.081 0.000 0.696 593 N CB -0.460 38.071 38.487 0.072 0.000 0.946 593 N HN 0.385 nan 8.380 nan 0.000 0.548 594 M N 0.927 120.606 119.600 0.132 0.000 3.124 594 M HA 0.219 4.700 4.480 0.001 0.000 0.298 594 M C 1.143 177.514 176.300 0.118 0.000 1.403 594 M CA 0.256 55.673 55.300 0.194 0.000 0.651 594 M CB 0.909 33.668 32.600 0.264 0.000 1.412 594 M HN 0.402 nan 8.290 nan 0.000 0.477 595 G N 1.862 110.704 108.800 0.070 0.000 2.634 595 G HA2 -0.327 3.633 3.960 0.001 0.000 0.309 595 G HA3 -0.327 3.633 3.960 0.001 0.000 0.309 595 G C 0.427 175.305 174.900 -0.037 0.000 1.265 595 G CA 0.439 45.526 45.100 -0.020 0.000 0.998 595 G HN 0.651 nan 8.290 nan 0.000 0.551 596 N N 0.100 118.721 118.700 -0.131 0.000 2.276 596 N HA 0.088 4.829 4.740 0.001 0.000 0.212 596 N C -0.138 175.374 175.510 0.003 0.000 1.127 596 N CA -0.044 52.992 53.050 -0.024 0.000 0.834 596 N CB 0.245 38.653 38.487 -0.133 0.000 1.014 596 N HN 0.431 nan 8.380 nan 0.000 0.491 597 Y N 2.072 122.213 120.300 -0.266 0.000 2.620 597 Y HA 0.246 4.797 4.550 0.001 0.000 0.352 597 Y C 0.137 175.936 175.900 -0.169 0.000 1.140 597 Y CA -0.988 56.915 58.100 -0.328 0.000 1.529 597 Y CB -0.139 38.025 38.460 -0.494 0.000 1.321 597 Y HN -0.028 nan 8.280 nan 0.000 0.501 598 A N 5.995 128.444 122.820 -0.618 0.000 3.078 598 A HA 0.086 4.407 4.320 0.001 0.000 0.279 598 A C 1.341 178.537 177.584 -0.647 0.000 1.594 598 A CA -0.290 51.434 52.037 -0.520 0.000 1.301 598 A CB -0.958 17.723 19.000 -0.532 0.000 1.162 598 A HN 0.998 nan 8.150 nan 0.000 0.585 599 H N 1.975 120.568 119.070 -0.795 0.000 2.489 599 H HA -0.126 4.430 4.556 0.001 0.000 0.293 599 H C 1.930 177.008 175.328 -0.416 0.000 1.066 599 H CA 1.613 57.231 56.048 -0.717 0.000 1.305 599 H CB 0.208 29.683 29.762 -0.478 0.000 1.386 599 H HN 0.667 nan 8.280 nan 0.000 0.551 600 G N 0.134 108.787 108.800 -0.246 0.000 2.586 600 G HA2 -0.201 3.760 3.960 0.001 0.000 0.215 600 G HA3 -0.201 3.760 3.960 0.001 0.000 0.215 600 G C 0.468 175.271 174.900 -0.161 0.000 1.128 600 G CA 0.206 45.212 45.100 -0.157 0.000 0.774 600 G HN 0.285 nan 8.290 nan 0.000 0.543 601 N N -2.095 116.455 118.700 -0.249 0.000 2.321 601 N HA 0.371 5.112 4.740 0.001 0.000 0.290 601 N C 0.812 176.188 175.510 -0.222 0.000 1.212 601 N CA -0.678 52.283 53.050 -0.147 0.000 0.767 601 N CB 1.693 40.146 38.487 -0.057 0.000 1.494 601 N HN -0.192 nan 8.380 nan 0.000 0.479 602 Q N 0.600 120.332 119.800 -0.113 0.000 2.079 602 Q HA 0.064 4.405 4.340 0.001 0.000 0.200 602 Q C -1.140 174.689 176.000 -0.285 0.000 0.974 602 Q CA 1.898 57.544 55.803 -0.261 0.000 0.840 602 Q CB -0.875 27.594 28.738 -0.448 0.000 0.898 602 Q HN 0.597 nan 8.270 nan 0.000 0.430 603 P HA -0.159 nan 4.420 nan 0.000 0.216 603 P C 0.799 178.019 177.300 -0.133 0.000 1.150 603 P CA 1.172 64.091 63.100 -0.301 0.000 0.843 603 P CB 0.081 31.464 31.700 -0.529 0.000 0.787 604 I N -1.163 119.276 120.570 -0.218 0.000 3.883 604 I HA -0.007 4.164 4.170 0.001 0.000 0.326 604 I C 1.602 177.626 176.117 -0.154 0.000 1.283 604 I CA 0.334 61.509 61.300 -0.209 0.000 1.161 604 I CB -0.125 37.665 38.000 -0.350 0.000 1.012 604 I HN -0.099 nan 8.210 nan 0.000 0.421 605 Q N 0.026 119.768 119.800 -0.097 0.000 2.364 605 Q HA -0.210 4.131 4.340 0.001 0.000 0.209 605 Q C 1.559 177.761 176.000 0.336 0.000 0.977 605 Q CA 1.173 56.959 55.803 -0.028 0.000 0.885 605 Q CB -0.044 28.601 28.738 -0.154 0.000 0.941 605 Q HN 0.708 nan 8.270 nan 0.000 0.464 606 H N -1.499 117.705 119.070 0.222 0.000 2.648 606 H HA 0.148 4.705 4.556 0.001 0.000 0.265 606 H C 1.758 177.242 175.328 0.259 0.000 0.961 606 H CA 0.004 56.214 56.048 0.270 0.000 1.185 606 H CB -0.266 29.726 29.762 0.383 0.000 1.449 606 H HN 0.163 nan 8.280 nan 0.000 0.523 607 M N 1.464 120.781 119.600 -0.471 0.000 2.082 607 M HA -0.149 4.331 4.480 0.001 0.000 0.258 607 M C 1.847 177.972 176.300 -0.293 0.000 1.069 607 M CA 1.592 56.540 55.300 -0.587 0.000 1.102 607 M CB -0.286 31.902 32.600 -0.687 0.000 1.336 607 M HN 0.223 nan 8.290 nan 0.000 0.404 608 I N -0.414 120.102 120.570 -0.091 0.000 2.248 608 I HA -0.349 3.822 4.170 0.001 0.000 0.248 608 I C 1.944 178.095 176.117 0.056 0.000 1.107 608 I CA 1.601 62.886 61.300 -0.025 0.000 1.373 608 I CB -0.698 37.283 38.000 -0.032 0.000 1.055 608 I HN 0.318 nan 8.210 nan 0.000 0.418 609 Y N -0.192 120.196 120.300 0.146 0.000 2.403 609 Y HA -0.200 4.351 4.550 0.001 0.000 0.291 609 Y C 2.229 178.309 175.900 0.300 0.000 1.143 609 Y CA 0.502 58.746 58.100 0.240 0.000 1.257 609 Y CB -0.181 38.439 38.460 0.266 0.000 0.984 609 Y HN 0.091 nan 8.280 nan 0.000 0.550 610 L N -1.276 120.103 121.223 0.261 0.000 2.187 610 L HA -0.257 4.083 4.340 0.001 0.000 0.213 610 L C 1.783 178.840 176.870 0.311 0.000 1.100 610 L CA 1.457 56.422 54.840 0.208 0.000 0.765 610 L CB -1.453 40.616 42.059 0.017 0.000 0.904 610 L HN 0.263 nan 8.230 nan 0.000 0.437 611 Y N 0.208 120.634 120.300 0.210 0.000 2.228 611 Y HA -0.309 4.242 4.550 0.001 0.000 0.285 611 Y C 2.396 178.381 175.900 0.141 0.000 1.178 611 Y CA 1.587 59.770 58.100 0.139 0.000 1.202 611 Y CB -0.615 37.850 38.460 0.009 0.000 0.974 611 Y HN 0.284 nan 8.280 nan 0.000 0.527 612 D N -1.478 119.152 120.400 0.382 0.000 2.144 612 D HA -0.195 4.446 4.640 0.001 0.000 0.199 612 D C 1.835 178.252 176.300 0.195 0.000 0.984 612 D CA 1.404 55.560 54.000 0.260 0.000 0.834 612 D CB -0.567 40.397 40.800 0.273 0.000 0.955 612 D HN 0.370 nan 8.370 nan 0.000 0.465 613 Y N 0.352 120.719 120.300 0.112 0.000 2.497 613 Y HA 0.081 4.631 4.550 0.001 0.000 0.292 613 Y C 2.074 177.951 175.900 -0.038 0.000 1.137 613 Y CA 0.718 58.832 58.100 0.022 0.000 1.285 613 Y CB -0.193 38.240 38.460 -0.045 0.000 0.991 613 Y HN -0.063 nan 8.280 nan 0.000 0.556 614 A N -0.889 122.026 122.820 0.158 0.000 2.387 614 A HA 0.511 4.832 4.320 0.001 0.000 0.234 614 A C 1.774 179.415 177.584 0.094 0.000 1.253 614 A CA 0.477 52.572 52.037 0.096 0.000 0.894 614 A CB -0.724 18.408 19.000 0.220 0.000 0.963 614 A HN 0.476 nan 8.150 nan 0.000 0.508 615 G N -0.625 108.219 108.800 0.073 0.000 2.160 615 G HA2 -0.233 3.728 3.960 0.001 0.000 0.244 615 G HA3 -0.233 3.728 3.960 0.001 0.000 0.244 615 G C -0.041 174.812 174.900 -0.079 0.000 1.022 615 G CA 0.380 45.514 45.100 0.058 0.000 0.741 615 G HN 0.583 nan 8.290 nan 0.000 0.508 616 Q N -0.697 118.924 119.800 -0.298 0.000 3.048 616 Q HA 0.192 4.533 4.340 0.001 0.000 0.337 616 Q C -1.632 173.860 176.000 -0.846 0.000 0.845 616 Q CA -1.415 53.692 55.803 -1.160 0.000 0.942 616 Q CB 1.765 29.914 28.738 -0.981 0.000 1.454 616 Q HN 0.336 nan 8.270 nan 0.000 0.392 617 P HA -0.190 nan 4.420 nan 0.000 0.219 617 P C 0.804 178.135 177.300 0.052 0.000 1.146 617 P CA 1.120 64.220 63.100 0.001 0.000 0.808 617 P CB -0.105 31.695 31.700 0.167 0.000 0.779 618 W N 1.251 122.622 121.300 0.119 0.000 2.402 618 W HA 0.069 4.730 4.660 0.001 0.000 0.286 618 W C 1.839 178.459 176.519 0.169 0.000 1.221 618 W CA 0.796 58.249 57.345 0.181 0.000 1.257 618 W CB -1.445 28.034 29.460 0.032 0.000 1.120 618 W HN -0.172 nan 8.180 nan 0.000 0.551 619 K N 0.711 120.807 120.400 -0.508 0.000 2.097 619 K HA -0.047 4.273 4.320 0.001 0.000 0.205 619 K C 2.473 178.849 176.600 -0.372 0.000 1.050 619 K CA 1.455 57.408 56.287 -0.556 0.000 0.938 619 K CB -0.457 31.308 32.500 -1.226 0.000 0.718 619 K HN 0.256 nan 8.250 nan 0.000 0.442 620 A N 1.484 124.173 122.820 -0.218 0.000 1.898 620 A HA -0.225 4.095 4.320 0.001 0.000 0.216 620 A C 2.045 179.627 177.584 -0.004 0.000 1.181 620 A CA 1.305 53.354 52.037 0.019 0.000 0.620 620 A CB -0.449 18.614 19.000 0.105 0.000 0.819 620 A HN 0.287 nan 8.150 nan 0.000 0.442 621 Q N -1.805 118.040 119.800 0.075 0.000 2.061 621 Q HA -0.237 4.104 4.340 0.001 0.000 0.204 621 Q C 2.024 178.001 176.000 -0.039 0.000 0.984 621 Q CA 2.026 57.881 55.803 0.087 0.000 0.846 621 Q CB -0.475 28.417 28.738 0.256 0.000 0.902 621 Q HN 0.833 nan 8.270 nan 0.000 0.421 622 Y N -0.418 119.804 120.300 -0.131 0.000 2.097 622 Y HA -0.296 4.255 4.550 0.001 0.000 0.282 622 Y C 1.603 177.124 175.900 -0.632 0.000 1.152 622 Y CA 1.799 59.642 58.100 -0.428 0.000 1.136 622 Y CB -0.367 37.866 38.460 -0.378 0.000 0.975 622 Y HN 0.143 nan 8.280 nan 0.000 0.498 623 W N -0.764 120.346 121.300 -0.318 0.000 2.409 623 W HA -0.127 4.534 4.660 0.001 0.000 0.299 623 W C 2.137 178.411 176.519 -0.408 0.000 1.203 623 W CA 0.212 57.279 57.345 -0.463 0.000 1.298 623 W CB -0.574 28.592 29.460 -0.491 0.000 1.127 623 W HN 0.064 nan 8.180 nan 0.000 0.528 624 L N 0.745 121.920 121.223 -0.080 0.000 2.021 624 L HA -0.259 4.082 4.340 0.001 0.000 0.215 624 L C 2.491 179.277 176.870 -0.141 0.000 1.074 624 L CA 1.909 56.706 54.840 -0.071 0.000 0.760 624 L CB -1.598 40.360 42.059 -0.168 0.000 0.889 624 L HN -0.018 nan 8.230 nan 0.000 0.433 625 R N -0.762 119.528 120.500 -0.350 0.000 2.115 625 R HA -0.123 4.217 4.340 0.001 0.000 0.230 625 R C 2.156 178.186 176.300 -0.450 0.000 1.111 625 R CA 1.096 56.931 56.100 -0.443 0.000 0.976 625 R CB -0.316 29.558 30.300 -0.709 0.000 0.870 625 R HN 0.378 nan 8.270 nan 0.000 0.445 626 Q N 0.011 119.471 119.800 -0.567 0.000 2.045 626 Q HA -0.141 4.200 4.340 0.001 0.000 0.206 626 Q C 2.152 178.067 176.000 -0.143 0.000 0.991 626 Q CA 2.050 57.609 55.803 -0.407 0.000 0.851 626 Q CB -0.614 27.901 28.738 -0.371 0.000 0.911 626 Q HN 0.297 nan 8.270 nan 0.000 0.418 627 V N 1.048 120.931 119.914 -0.051 0.000 2.295 627 V HA -0.277 3.844 4.120 0.001 0.000 0.246 627 V C 2.423 178.609 176.094 0.153 0.000 1.049 627 V CA 1.854 64.165 62.300 0.018 0.000 1.024 627 V CB -0.557 31.241 31.823 -0.042 0.000 0.648 627 V HN 0.350 nan 8.190 nan 0.000 0.447 628 M N -0.462 119.240 119.600 0.170 0.000 2.213 628 M HA -0.172 4.308 4.480 0.001 0.000 0.263 628 M C 1.786 178.215 176.300 0.214 0.000 1.062 628 M CA 1.608 57.062 55.300 0.257 0.000 1.105 628 M CB -0.457 32.141 32.600 -0.004 0.000 1.385 628 M HN 0.332 nan 8.290 nan 0.000 0.417 629 D N -0.223 120.197 120.400 0.033 0.000 2.194 629 D HA -0.030 4.610 4.640 0.001 0.000 0.204 629 D C 1.917 178.231 176.300 0.023 0.000 0.964 629 D CA 1.067 55.060 54.000 -0.012 0.000 0.846 629 D CB 0.079 40.806 40.800 -0.122 0.000 0.962 629 D HN 0.365 nan 8.370 nan 0.000 0.490 630 R N -0.793 119.725 120.500 0.029 0.000 2.250 630 R HA 0.269 4.610 4.340 0.001 0.000 0.194 630 R C 1.509 177.816 176.300 0.013 0.000 0.927 630 R CA 0.082 56.189 56.100 0.011 0.000 1.052 630 R CB 0.387 30.682 30.300 -0.008 0.000 1.055 630 R HN 0.056 nan 8.270 nan 0.000 0.537 631 M N -0.045 119.571 119.600 0.027 0.000 2.428 631 M HA 0.208 4.689 4.480 0.001 0.000 0.239 631 M C -0.652 175.463 176.300 -0.309 0.000 1.121 631 M CA 0.577 55.801 55.300 -0.127 0.000 1.019 631 M CB 0.244 32.709 32.600 -0.225 0.000 1.485 631 M HN -0.038 nan 8.290 nan 0.000 0.484 632 Y N 0.294 120.579 120.300 -0.025 0.000 2.354 632 Y HA 0.422 4.973 4.550 0.001 0.000 0.330 632 Y C 0.354 176.162 175.900 -0.153 0.000 1.011 632 Y CA -1.109 56.909 58.100 -0.137 0.000 1.099 632 Y CB 1.625 39.955 38.460 -0.216 0.000 1.179 632 Y HN 0.025 nan 8.280 nan 0.000 0.442 633 T N -0.403 114.111 114.554 -0.066 0.000 2.906 633 T HA 0.437 4.787 4.350 0.001 0.000 0.295 633 T C -2.669 171.963 174.700 -0.112 0.000 1.075 633 T CA -2.484 59.577 62.100 -0.065 0.000 1.005 633 T CB 2.659 71.495 68.868 -0.052 0.000 1.136 633 T HN 0.286 nan 8.240 nan 0.000 0.498 634 P HA 0.217 nan 4.420 nan 0.000 0.255 634 P C 0.863 178.131 177.300 -0.054 0.000 1.248 634 P CA 0.032 63.097 63.100 -0.058 0.000 0.807 634 P CB -0.207 31.496 31.700 0.005 0.000 1.150 635 G N 1.571 110.326 108.800 -0.075 0.000 2.535 635 G HA2 0.244 4.205 3.960 0.001 0.000 0.282 635 G HA3 0.244 4.205 3.960 0.001 0.000 0.282 635 G C -1.696 173.124 174.900 -0.133 0.000 1.350 635 G CA -1.247 43.791 45.100 -0.102 0.000 1.039 635 G HN -0.123 nan 8.290 nan 0.000 0.509 636 P HA 0.005 nan 4.420 nan 0.000 0.220 636 P C 0.453 177.682 177.300 -0.118 0.000 1.148 636 P CA 1.139 64.070 63.100 -0.283 0.000 0.803 636 P CB 0.179 31.351 31.700 -0.879 0.000 0.782 637 D N -1.570 118.763 120.400 -0.113 0.000 2.894 637 D HA 0.133 4.774 4.640 0.001 0.000 0.248 637 D C 1.511 177.800 176.300 -0.019 0.000 1.291 637 D CA -0.469 53.515 54.000 -0.026 0.000 0.840 637 D CB -0.959 39.823 40.800 -0.030 0.000 1.044 637 D HN 0.014 nan 8.370 nan 0.000 0.484 638 G N -0.338 108.438 108.800 -0.039 0.000 2.408 638 G HA2 -0.140 3.820 3.960 0.001 0.000 0.217 638 G HA3 -0.140 3.820 3.960 0.001 0.000 0.217 638 G C 0.263 175.026 174.900 -0.229 0.000 1.150 638 G CA 0.484 45.488 45.100 -0.160 0.000 0.776 638 G HN 0.272 nan 8.290 nan 0.000 0.542 639 Y N -1.157 119.122 120.300 -0.034 0.000 2.408 639 Y HA 0.353 4.904 4.550 0.001 0.000 0.324 639 Y C 1.616 177.440 175.900 -0.126 0.000 1.302 639 Y CA -0.757 57.275 58.100 -0.113 0.000 1.384 639 Y CB 0.923 39.360 38.460 -0.038 0.000 1.367 639 Y HN 0.090 nan 8.280 nan 0.000 0.525 640 C N -1.740 117.561 119.300 0.002 0.000 3.000 640 C HA 0.852 5.313 4.460 0.001 0.000 0.286 640 C C 0.542 175.543 174.990 0.017 0.000 1.343 640 C CA 0.035 59.038 59.018 -0.024 0.000 1.742 640 C CB -1.220 26.462 27.740 -0.097 0.000 2.200 640 C HN 0.956 nan 8.230 nan 0.000 0.621 641 G N -0.278 108.559 108.800 0.062 0.000 2.342 641 G HA2 0.419 4.379 3.960 0.001 0.000 0.297 641 G HA3 0.419 4.379 3.960 0.001 0.000 0.297 641 G C -2.230 172.720 174.900 0.083 0.000 1.313 641 G CA -0.535 44.616 45.100 0.085 0.000 0.830 641 G HN 0.050 nan 8.290 nan 0.000 0.506 642 D N 0.157 120.637 120.400 0.135 0.000 2.455 642 D HA 0.270 4.911 4.640 0.001 0.000 0.241 642 D C 1.383 177.654 176.300 -0.048 0.000 1.138 642 D CA 0.007 54.063 54.000 0.093 0.000 0.877 642 D CB 1.895 42.831 40.800 0.225 0.000 1.187 642 D HN 0.574 nan 8.370 nan 0.000 0.451 643 E N 1.596 121.664 120.200 -0.220 0.000 2.285 643 E HA -0.162 4.189 4.350 0.001 0.000 0.194 643 E C -0.360 176.173 176.600 -0.112 0.000 0.997 643 E CA 0.312 56.489 56.400 -0.372 0.000 0.845 643 E CB -0.159 28.994 29.700 -0.913 0.000 0.782 643 E HN 0.311 nan 8.360 nan 0.000 0.491 644 D N 0.833 121.222 120.400 -0.019 0.000 2.737 644 D HA -0.248 4.392 4.640 0.001 0.000 0.238 644 D C -0.818 175.507 176.300 0.043 0.000 1.157 644 D CA 1.101 55.149 54.000 0.079 0.000 0.694 644 D CB -2.035 38.858 40.800 0.156 0.000 1.021 644 D HN 0.589 nan 8.370 nan 0.000 0.420 645 N N -1.278 117.387 118.700 -0.058 0.000 2.721 645 N HA -0.220 4.521 4.740 0.001 0.000 0.249 645 N C 1.099 176.685 175.510 0.127 0.000 1.072 645 N CA 1.488 54.486 53.050 -0.086 0.000 0.710 645 N CB -1.065 37.280 38.487 -0.238 0.000 0.993 645 N HN 0.748 nan 8.380 nan 0.000 0.547 646 G N -1.375 107.492 108.800 0.112 0.000 2.238 646 G HA2 -0.379 3.582 3.960 0.001 0.000 0.217 646 G HA3 -0.379 3.582 3.960 0.001 0.000 0.217 646 G C 0.674 175.677 174.900 0.172 0.000 0.996 646 G CA 0.728 45.914 45.100 0.143 0.000 0.632 646 G HN 0.469 nan 8.290 nan 0.000 0.503 647 Q N 1.215 121.109 119.800 0.156 0.000 1.993 647 Q HA 0.017 4.358 4.340 0.001 0.000 0.202 647 Q C 2.461 178.630 176.000 0.282 0.000 0.984 647 Q CA 3.147 59.064 55.803 0.190 0.000 0.837 647 Q CB -0.975 27.832 28.738 0.115 0.000 0.902 647 Q HN 0.469 nan 8.270 nan 0.000 0.423 648 T N 0.110 114.800 114.554 0.227 0.000 2.915 648 T HA -0.060 4.290 4.350 0.001 0.000 0.269 648 T C 1.903 176.951 174.700 0.579 0.000 1.071 648 T CA 1.204 63.504 62.100 0.333 0.000 1.132 648 T CB -0.245 68.721 68.868 0.163 0.000 0.878 648 T HN 0.258 nan 8.240 nan 0.000 0.479 649 S N 1.613 117.577 115.700 0.440 0.000 2.345 649 S HA 0.073 4.543 4.470 0.001 0.000 0.219 649 S C 2.609 177.445 174.600 0.394 0.000 1.031 649 S CA 0.811 59.294 58.200 0.471 0.000 0.984 649 S CB -0.524 62.865 63.200 0.314 0.000 0.874 649 S HN 0.581 nan 8.310 nan 0.000 0.451 650 A N 0.193 123.217 122.820 0.339 0.000 2.070 650 A HA -0.107 4.214 4.320 0.001 0.000 0.220 650 A C 1.743 179.619 177.584 0.486 0.000 1.159 650 A CA 1.028 53.251 52.037 0.310 0.000 0.656 650 A CB -0.932 18.240 19.000 0.286 0.000 0.800 650 A HN 0.733 nan 8.150 nan 0.000 0.453 651 W N -0.924 120.638 121.300 0.436 0.000 2.358 651 W HA -0.241 4.420 4.660 0.001 0.000 0.303 651 W C 1.966 178.745 176.519 0.433 0.000 1.208 651 W CA 1.925 59.604 57.345 0.557 0.000 1.274 651 W CB -0.326 29.454 29.460 0.533 0.000 1.138 651 W HN 0.455 nan 8.180 nan 0.000 0.515 652 Y N 0.286 120.922 120.300 0.560 0.000 2.242 652 Y HA -0.228 4.323 4.550 0.001 0.000 0.291 652 Y C 2.248 178.163 175.900 0.025 0.000 1.137 652 Y CA 2.465 60.650 58.100 0.142 0.000 1.181 652 Y CB -0.719 37.535 38.460 -0.343 0.000 0.989 652 Y HN -0.172 nan 8.280 nan 0.000 0.527 653 V N -0.308 119.684 119.914 0.130 0.000 2.255 653 V HA -0.323 3.798 4.120 0.001 0.000 0.247 653 V C 2.103 178.153 176.094 -0.072 0.000 1.051 653 V CA 2.138 64.378 62.300 -0.099 0.000 1.018 653 V CB -1.013 30.652 31.823 -0.263 0.000 0.641 653 V HN 0.313 nan 8.190 nan 0.000 0.445 654 F N 1.086 120.981 119.950 -0.093 0.000 2.046 654 F HA -0.187 4.341 4.527 0.001 0.000 0.297 654 F C 2.800 178.389 175.800 -0.352 0.000 1.123 654 F CA 2.067 59.930 58.000 -0.228 0.000 1.199 654 F CB -0.916 38.022 39.000 -0.102 0.000 0.972 654 F HN 0.021 nan 8.300 nan 0.000 0.474 655 S N -0.163 115.428 115.700 -0.183 0.000 2.383 655 S HA -0.237 4.234 4.470 0.001 0.000 0.229 655 S C 2.264 176.688 174.600 -0.293 0.000 1.030 655 S CA 1.079 59.074 58.200 -0.342 0.000 1.002 655 S CB -0.796 61.883 63.200 -0.869 0.000 0.829 655 S HN 0.399 nan 8.310 nan 0.000 0.467 656 A N 1.102 123.726 122.820 -0.327 0.000 1.969 656 A HA 0.057 4.378 4.320 0.001 0.000 0.218 656 A C 2.043 179.557 177.584 -0.117 0.000 1.169 656 A CA 0.932 52.815 52.037 -0.257 0.000 0.635 656 A CB -0.552 18.369 19.000 -0.132 0.000 0.810 656 A HN 0.470 nan 8.150 nan 0.000 0.445 657 L N -1.965 119.156 121.223 -0.169 0.000 2.156 657 L HA 0.074 4.415 4.340 0.001 0.000 0.208 657 L C 1.905 178.618 176.870 -0.263 0.000 1.095 657 L CA 1.034 55.716 54.840 -0.262 0.000 0.770 657 L CB -0.252 41.495 42.059 -0.520 0.000 0.914 657 L HN 0.604 nan 8.230 nan 0.000 0.439 658 G N -0.633 107.998 108.800 -0.282 0.000 2.227 658 G HA2 -0.184 3.777 3.960 0.001 0.000 0.168 658 G HA3 -0.184 3.777 3.960 0.001 0.000 0.168 658 G C -0.033 174.989 174.900 0.203 0.000 1.006 658 G CA -0.123 44.974 45.100 -0.006 0.000 0.684 658 G HN 0.271 nan 8.290 nan 0.000 0.489 659 F N -1.768 118.299 119.950 0.195 0.000 2.686 659 F HA 0.861 5.388 4.527 0.001 0.000 0.311 659 F C -1.008 174.853 175.800 0.102 0.000 1.128 659 F CA -2.509 55.604 58.000 0.188 0.000 0.946 659 F CB 1.216 40.324 39.000 0.180 0.000 1.336 659 F HN 0.175 nan 8.300 nan 0.000 0.457 660 Y N 1.312 121.533 120.300 -0.132 0.000 2.513 660 Y HA 0.553 5.104 4.550 0.001 0.000 0.340 660 Y C -2.858 172.790 175.900 -0.421 0.000 1.055 660 Y CA -2.456 55.285 58.100 -0.599 0.000 1.020 660 Y CB 3.210 40.964 38.460 -1.177 0.000 1.301 660 Y HN 0.436 nan 8.280 nan 0.000 0.453 661 P HA 0.069 nan 4.420 nan 0.000 0.238 661 P C 0.555 177.598 177.300 -0.430 0.000 1.794 661 P CA 0.312 63.028 63.100 -0.640 0.000 1.088 661 P CB 0.603 31.890 31.700 -0.688 0.000 1.923 662 V N 1.180 121.064 119.914 -0.049 0.000 2.282 662 V HA -0.219 3.901 4.120 0.001 0.000 0.249 662 V C 1.470 177.607 176.094 0.072 0.000 1.057 662 V CA 1.846 64.274 62.300 0.214 0.000 1.032 662 V CB -0.384 31.651 31.823 0.353 0.000 0.645 662 V HN 0.524 nan 8.190 nan 0.000 0.447 663 C N 2.089 121.384 119.300 -0.008 0.000 2.621 663 C HA 0.510 4.970 4.460 0.001 0.000 0.272 663 C C -2.532 172.440 174.990 -0.029 0.000 1.119 663 C CA -2.293 56.699 59.018 -0.043 0.000 1.593 663 C CB -0.439 27.288 27.740 -0.021 0.000 1.749 663 C HN 0.308 nan 8.230 nan 0.000 0.420 664 P HA 0.312 nan 4.420 nan 0.000 0.266 664 P C 0.894 178.299 177.300 0.174 0.000 1.195 664 P CA 1.831 64.950 63.100 0.031 0.000 0.768 664 P CB 0.526 32.274 31.700 0.080 0.000 0.838 665 G N 0.749 109.596 108.800 0.078 0.000 2.259 665 G HA2 -0.194 3.767 3.960 0.001 0.000 0.217 665 G HA3 -0.194 3.767 3.960 0.001 0.000 0.217 665 G C 0.388 175.361 174.900 0.122 0.000 1.001 665 G CA 0.290 45.469 45.100 0.132 0.000 0.627 665 G HN 0.862 nan 8.290 nan 0.000 0.501 666 T N -0.959 113.649 114.554 0.090 0.000 2.897 666 T HA 0.537 4.888 4.350 0.001 0.000 0.278 666 T C 0.674 175.288 174.700 -0.143 0.000 0.981 666 T CA 0.589 62.663 62.100 -0.044 0.000 0.973 666 T CB 1.780 70.580 68.868 -0.114 0.000 1.092 666 T HN 0.355 nan 8.240 nan 0.000 0.543 667 D N -0.787 119.536 120.400 -0.129 0.000 2.395 667 D HA 0.126 4.767 4.640 0.001 0.000 0.226 667 D C -0.130 176.079 176.300 -0.152 0.000 1.146 667 D CA -0.330 53.591 54.000 -0.132 0.000 0.830 667 D CB -0.143 40.638 40.800 -0.032 0.000 0.958 667 D HN 0.703 nan 8.370 nan 0.000 0.501 668 E N 0.157 120.198 120.200 -0.266 0.000 2.183 668 E HA 0.314 4.665 4.350 0.001 0.000 0.271 668 E C -1.071 175.278 176.600 -0.418 0.000 0.919 668 E CA -0.853 55.438 56.400 -0.182 0.000 0.781 668 E CB 1.471 31.098 29.700 -0.121 0.000 1.140 668 E HN 0.144 nan 8.360 nan 0.000 0.402 669 Y N 0.759 121.106 120.300 0.078 0.000 2.334 669 Y HA 0.240 4.791 4.550 0.001 0.000 0.336 669 Y C 0.141 176.132 175.900 0.152 0.000 0.960 669 Y CA -0.956 57.180 58.100 0.060 0.000 1.164 669 Y CB 1.073 39.567 38.460 0.057 0.000 1.155 669 Y HN 0.217 nan 8.280 nan 0.000 0.478 670 V N 4.737 124.793 119.914 0.238 0.000 2.686 670 V HA 0.058 4.179 4.120 0.001 0.000 0.295 670 V C 0.305 176.618 176.094 0.365 0.000 1.055 670 V CA -0.543 61.931 62.300 0.290 0.000 1.050 670 V CB 0.945 32.950 31.823 0.304 0.000 0.984 670 V HN 0.728 nan 8.190 nan 0.000 0.482 671 M N 4.311 124.157 119.600 0.410 0.000 2.162 671 M HA 0.539 5.020 4.480 0.001 0.000 0.356 671 M C 0.512 177.113 176.300 0.502 0.000 1.303 671 M CA 0.556 56.109 55.300 0.423 0.000 1.116 671 M CB 0.746 33.533 32.600 0.312 0.000 1.632 671 M HN 0.778 nan 8.290 nan 0.000 0.469 672 G N 1.570 110.675 108.800 0.508 0.000 3.434 672 G HA2 0.503 4.464 3.960 0.001 0.000 0.197 672 G HA3 0.503 4.464 3.960 0.001 0.000 0.197 672 G C -0.964 174.053 174.900 0.194 0.000 1.559 672 G CA -0.153 45.159 45.100 0.353 0.000 0.852 672 G HN 0.615 nan 8.290 nan 0.000 0.682 673 T N 1.761 116.377 114.554 0.104 0.000 3.032 673 T HA 0.589 4.940 4.350 0.001 0.000 0.312 673 T C -3.039 171.661 174.700 -0.000 0.000 1.078 673 T CA -1.101 61.036 62.100 0.063 0.000 1.028 673 T CB 2.129 71.023 68.868 0.043 0.000 1.091 673 T HN 0.232 nan 8.240 nan 0.000 0.457 674 P HA 0.238 nan 4.420 nan 0.000 0.276 674 P C 0.484 177.720 177.300 -0.106 0.000 1.230 674 P CA -0.540 62.538 63.100 -0.036 0.000 0.776 674 P CB 1.170 32.877 31.700 0.012 0.000 0.888 675 L N 2.641 123.738 121.223 -0.209 0.000 2.341 675 L HA 0.270 4.611 4.340 0.001 0.000 0.214 675 L C 0.254 176.802 176.870 -0.538 0.000 1.115 675 L CA 1.148 55.730 54.840 -0.428 0.000 0.820 675 L CB -0.389 41.262 42.059 -0.679 0.000 0.944 675 L HN 0.169 nan 8.230 nan 0.000 0.452 676 F N -1.062 118.808 119.950 -0.133 0.000 2.541 676 F HA 0.366 4.893 4.527 0.001 0.000 0.331 676 F C 1.516 177.276 175.800 -0.067 0.000 1.057 676 F CA -0.720 57.215 58.000 -0.108 0.000 0.975 676 F CB 1.003 39.915 39.000 -0.147 0.000 1.246 676 F HN -0.370 nan 8.300 nan 0.000 0.484 677 K N 0.141 120.644 120.400 0.173 0.000 2.217 677 K HA -0.017 4.304 4.320 0.001 0.000 0.202 677 K C 0.174 176.817 176.600 0.073 0.000 1.051 677 K CA 1.033 57.374 56.287 0.090 0.000 0.952 677 K CB 0.268 32.814 32.500 0.078 0.000 0.736 677 K HN 0.366 nan 8.250 nan 0.000 0.453 678 K N -0.000 120.449 120.400 0.082 0.000 2.535 678 K HA 0.439 4.759 4.320 0.001 0.000 0.251 678 K C -2.080 174.496 176.600 -0.040 0.000 0.942 678 K CA -0.482 55.817 56.287 0.020 0.000 0.798 678 K CB 2.087 34.595 32.500 0.013 0.000 1.267 678 K HN -0.019 nan 8.250 nan 0.000 0.434 679 A N 2.218 124.997 122.820 -0.069 0.000 2.386 679 A HA 0.726 5.046 4.320 0.001 0.000 0.311 679 A C -1.156 176.341 177.584 -0.145 0.000 1.068 679 A CA -0.602 51.345 52.037 -0.150 0.000 0.743 679 A CB 1.933 20.841 19.000 -0.153 0.000 1.258 679 A HN 0.561 nan 8.150 nan 0.000 0.429 680 T N 2.714 117.146 114.554 -0.204 0.000 2.841 680 T HA 0.564 4.914 4.350 0.001 0.000 0.285 680 T C -0.599 173.824 174.700 -0.461 0.000 0.991 680 T CA -0.274 61.649 62.100 -0.295 0.000 0.966 680 T CB 0.745 69.445 68.868 -0.279 0.000 0.962 680 T HN 0.484 nan 8.240 nan 0.000 0.438 681 L N 3.707 124.598 121.223 -0.552 0.000 2.317 681 L HA 0.532 4.873 4.340 0.001 0.000 0.281 681 L C -0.134 176.115 176.870 -1.036 0.000 1.024 681 L CA -1.039 53.355 54.840 -0.743 0.000 0.810 681 L CB 0.990 42.597 42.059 -0.754 0.000 1.240 681 L HN 0.583 nan 8.230 nan 0.000 0.427 682 H N 3.581 122.292 119.070 -0.597 0.000 2.638 682 H HA 0.359 4.916 4.556 0.001 0.000 0.303 682 H C -0.620 174.402 175.328 -0.510 0.000 1.034 682 H CA -0.485 55.279 56.048 -0.473 0.000 1.225 682 H CB 0.895 30.508 29.762 -0.248 0.000 1.394 682 H HN 0.297 nan 8.280 nan 0.000 0.477 683 F N 0.687 120.592 119.950 -0.075 0.000 2.380 683 F HA 0.111 4.639 4.527 0.001 0.000 0.325 683 F C 1.965 177.643 175.800 -0.203 0.000 1.136 683 F CA -0.580 57.293 58.000 -0.211 0.000 1.171 683 F CB 0.878 39.623 39.000 -0.425 0.000 1.230 683 F HN 0.452 nan 8.300 nan 0.000 0.554 684 E N 0.374 120.552 120.200 -0.036 0.000 2.265 684 E HA -0.218 4.132 4.350 0.001 0.000 0.196 684 E C 1.274 177.830 176.600 -0.073 0.000 0.996 684 E CA 1.212 57.583 56.400 -0.048 0.000 0.832 684 E CB -0.405 29.276 29.700 -0.031 0.000 0.756 684 E HN 0.692 nan 8.360 nan 0.000 0.491 685 N N -0.566 118.043 118.700 -0.151 0.000 2.521 685 N HA -0.028 4.713 4.740 0.001 0.000 0.188 685 N C 1.261 176.739 175.510 -0.053 0.000 1.146 685 N CA 0.470 53.437 53.050 -0.138 0.000 0.893 685 N CB 0.495 38.823 38.487 -0.264 0.000 0.975 685 N HN 0.134 nan 8.380 nan 0.000 0.451 686 G N 0.160 108.954 108.800 -0.011 0.000 2.234 686 G HA2 -0.256 3.705 3.960 0.001 0.000 0.235 686 G HA3 -0.256 3.705 3.960 0.001 0.000 0.235 686 G C -0.228 174.705 174.900 0.056 0.000 0.997 686 G CA -0.192 44.919 45.100 0.017 0.000 0.623 686 G HN 0.418 nan 8.290 nan 0.000 0.514 687 N N 0.764 119.519 118.700 0.092 0.000 2.463 687 N HA 0.672 5.412 4.740 0.001 0.000 0.270 687 N C -0.136 175.486 175.510 0.187 0.000 1.205 687 N CA 0.368 53.508 53.050 0.150 0.000 0.974 687 N CB 1.356 39.946 38.487 0.172 0.000 1.197 687 N HN 0.283 nan 8.380 nan 0.000 0.504 688 S N 0.265 116.045 115.700 0.133 0.000 2.568 688 S HA 0.522 4.993 4.470 0.001 0.000 0.293 688 S C -1.011 173.614 174.600 0.042 0.000 1.089 688 S CA -0.784 57.402 58.200 -0.024 0.000 0.945 688 S CB 1.743 64.921 63.200 -0.037 0.000 1.077 688 S HN 0.358 nan 8.310 nan 0.000 0.485 689 L N 3.007 124.184 121.223 -0.077 0.000 2.376 689 L HA 0.638 4.979 4.340 0.001 0.000 0.275 689 L C -1.538 175.281 176.870 -0.084 0.000 0.987 689 L CA -0.592 54.270 54.840 0.037 0.000 0.828 689 L CB 1.498 43.688 42.059 0.218 0.000 1.249 689 L HN 0.490 nan 8.230 nan 0.000 0.409 690 V N 6.410 126.297 119.914 -0.045 0.000 2.394 690 V HA 0.415 4.536 4.120 0.001 0.000 0.282 690 V C 0.320 176.382 176.094 -0.053 0.000 1.031 690 V CA -0.388 61.874 62.300 -0.063 0.000 0.881 690 V CB 1.917 33.718 31.823 -0.036 0.000 0.982 690 V HN 0.548 nan 8.190 nan 0.000 0.451 691 I N 4.348 124.887 120.570 -0.053 0.000 2.337 691 I HA 0.307 4.478 4.170 0.001 0.000 0.285 691 I C -0.181 175.924 176.117 -0.020 0.000 1.041 691 I CA -0.222 61.054 61.300 -0.040 0.000 1.199 691 I CB 0.785 38.782 38.000 -0.006 0.000 1.370 691 I HN 0.488 nan 8.210 nan 0.000 0.470 692 D N 6.492 126.882 120.400 -0.016 0.000 2.316 692 D HA 0.380 5.020 4.640 0.001 0.000 0.245 692 D C -0.032 176.273 176.300 0.008 0.000 1.171 692 D CA 0.083 54.083 54.000 0.001 0.000 0.856 692 D CB 1.977 42.780 40.800 0.004 0.000 1.090 692 D HN 0.588 nan 8.370 nan 0.000 0.476 693 A N 5.059 127.889 122.820 0.018 0.000 3.248 693 A HA 0.312 4.633 4.320 0.001 0.000 0.315 693 A C -1.581 176.016 177.584 0.021 0.000 0.974 693 A CA -0.896 51.153 52.037 0.020 0.000 0.939 693 A CB 0.734 19.747 19.000 0.022 0.000 1.061 693 A HN 0.276 nan 8.150 nan 0.000 0.481 694 P HA -0.196 nan 4.420 nan 0.000 0.218 694 P C 0.703 178.012 177.300 0.015 0.000 1.146 694 P CA 1.147 64.259 63.100 0.020 0.000 0.813 694 P CB 0.118 31.828 31.700 0.017 0.000 0.778 695 N N -0.946 117.760 118.700 0.009 0.000 2.270 695 N HA -0.005 4.735 4.740 0.001 0.000 0.198 695 N C 0.396 175.903 175.510 -0.005 0.000 1.117 695 N CA -0.337 52.713 53.050 0.001 0.000 0.845 695 N CB -0.099 38.387 38.487 -0.002 0.000 0.980 695 N HN -0.043 nan 8.380 nan 0.000 0.486 696 N N 1.063 119.762 118.700 -0.002 0.000 2.441 696 N HA -0.029 4.711 4.740 0.001 0.000 0.251 696 N C -0.517 174.981 175.510 -0.020 0.000 1.242 696 N CA 0.610 53.652 53.050 -0.013 0.000 0.898 696 N CB 0.935 39.414 38.487 -0.014 0.000 1.100 696 N HN 0.294 nan 8.380 nan 0.000 0.443 697 S N -0.193 115.491 115.700 -0.027 0.000 2.661 697 S HA 0.284 4.755 4.470 0.001 0.000 0.268 697 S C 0.721 175.310 174.600 -0.019 0.000 1.162 697 S CA -0.486 57.698 58.200 -0.027 0.000 0.817 697 S CB 0.472 63.660 63.200 -0.020 0.000 1.141 697 S HN 0.368 nan 8.310 nan 0.000 0.477 698 T N 1.218 115.761 114.554 -0.018 0.000 2.867 698 T HA 0.019 4.369 4.350 0.001 0.000 0.268 698 T C 1.211 175.962 174.700 0.084 0.000 1.057 698 T CA 2.042 64.141 62.100 -0.002 0.000 1.136 698 T CB -0.429 68.427 68.868 -0.019 0.000 0.874 698 T HN 0.633 nan 8.240 nan 0.000 0.466 699 E N 1.378 121.607 120.200 0.049 0.000 2.140 699 E HA 0.108 4.458 4.350 0.001 0.000 0.191 699 E C 0.660 177.196 176.600 -0.107 0.000 0.973 699 E CA 0.483 56.904 56.400 0.034 0.000 0.829 699 E CB -0.079 29.613 29.700 -0.014 0.000 0.781 699 E HN 0.510 nan 8.360 nan 0.000 0.466 700 N N 0.922 119.569 118.700 -0.087 0.000 3.188 700 N HA 0.101 4.842 4.740 0.001 0.000 0.279 700 N C -0.552 174.872 175.510 -0.144 0.000 1.213 700 N CA -0.227 52.726 53.050 -0.161 0.000 1.138 700 N CB 0.115 38.557 38.487 -0.074 0.000 1.417 700 N HN 0.143 nan 8.380 nan 0.000 0.526 701 F N -1.786 118.060 119.950 -0.173 0.000 2.661 701 F HA 0.416 4.943 4.527 0.001 0.000 0.306 701 F C -0.432 175.209 175.800 -0.265 0.000 1.094 701 F CA -0.933 56.916 58.000 -0.253 0.000 1.254 701 F CB -0.320 38.463 39.000 -0.361 0.000 1.040 701 F HN 0.004 nan 8.300 nan 0.000 0.562 702 Y N 2.001 122.156 120.300 -0.242 0.000 2.310 702 Y HA 0.500 5.051 4.550 0.001 0.000 0.326 702 Y C 0.424 176.313 175.900 -0.019 0.000 1.151 702 Y CA -1.744 56.309 58.100 -0.079 0.000 1.195 702 Y CB 0.979 39.334 38.460 -0.174 0.000 1.210 702 Y HN -0.093 nan 8.280 nan 0.000 0.483 703 I N 3.337 124.047 120.570 0.234 0.000 2.312 703 I HA 0.027 4.198 4.170 0.001 0.000 0.291 703 I C 0.931 177.122 176.117 0.124 0.000 1.031 703 I CA 0.098 61.489 61.300 0.151 0.000 1.293 703 I CB 0.910 39.005 38.000 0.157 0.000 1.403 703 I HN 0.784 nan 8.210 nan 0.000 0.484 704 D N 4.052 124.494 120.400 0.071 0.000 2.201 704 D HA -0.031 4.610 4.640 0.001 0.000 0.209 704 D C 0.395 176.719 176.300 0.040 0.000 0.961 704 D CA 0.872 54.891 54.000 0.032 0.000 0.861 704 D CB 0.711 41.512 40.800 0.001 0.000 0.997 704 D HN 0.595 nan 8.370 nan 0.000 0.486 705 S N -0.923 114.806 115.700 0.050 0.000 2.596 705 S HA 0.631 5.102 4.470 0.001 0.000 0.270 705 S C -0.830 173.812 174.600 0.069 0.000 1.155 705 S CA -0.954 57.281 58.200 0.057 0.000 0.827 705 S CB 2.669 65.893 63.200 0.040 0.000 1.130 705 S HN 0.112 nan 8.310 nan 0.000 0.467 706 M N 2.281 121.934 119.600 0.089 0.000 2.371 706 M HA 0.553 5.034 4.480 0.001 0.000 0.287 706 M C -1.507 174.866 176.300 0.122 0.000 1.149 706 M CA -0.193 55.164 55.300 0.094 0.000 0.929 706 M CB 2.308 34.984 32.600 0.126 0.000 1.683 706 M HN 1.112 nan 8.290 nan 0.000 0.470 707 S N 2.882 118.636 115.700 0.090 0.000 2.536 707 S HA 0.730 5.201 4.470 0.001 0.000 0.287 707 S C -1.488 173.195 174.600 0.138 0.000 1.101 707 S CA -0.656 57.624 58.200 0.133 0.000 0.950 707 S CB 2.011 65.272 63.200 0.102 0.000 1.056 707 S HN 0.564 nan 8.310 nan 0.000 0.481 708 F N 2.717 122.673 119.950 0.009 0.000 2.366 708 F HA 0.474 5.001 4.527 0.001 0.000 0.366 708 F C 0.235 176.033 175.800 -0.003 0.000 1.096 708 F CA -1.372 56.604 58.000 -0.041 0.000 1.060 708 F CB -0.477 38.464 39.000 -0.099 0.000 1.282 708 F HN 0.979 nan 8.300 nan 0.000 0.450 709 N N 3.627 122.555 118.700 0.381 0.000 2.740 709 N HA -0.192 4.549 4.740 0.001 0.000 0.248 709 N C 1.019 176.591 175.510 0.104 0.000 1.062 709 N CA 0.875 54.034 53.050 0.183 0.000 0.704 709 N CB -1.041 37.500 38.487 0.090 0.000 0.968 709 N HN 1.127 nan 8.380 nan 0.000 0.547 710 G N -1.768 107.098 108.800 0.108 0.000 2.299 710 G HA2 -0.254 3.706 3.960 0.001 0.000 0.237 710 G HA3 -0.254 3.706 3.960 0.001 0.000 0.237 710 G C 0.351 175.295 174.900 0.073 0.000 1.027 710 G CA 0.360 45.504 45.100 0.074 0.000 0.619 710 G HN 1.086 nan 8.290 nan 0.000 0.513 711 A N 0.449 123.319 122.820 0.084 0.000 2.425 711 A HA 0.531 4.852 4.320 0.001 0.000 0.249 711 A C 0.233 177.891 177.584 0.124 0.000 1.084 711 A CA 0.779 52.865 52.037 0.082 0.000 0.781 711 A CB 0.344 19.381 19.000 0.062 0.000 1.019 711 A HN 0.590 nan 8.150 nan 0.000 0.490 712 D N 0.317 120.775 120.400 0.096 0.000 2.389 712 D HA 0.142 4.783 4.640 0.001 0.000 0.247 712 D C -0.284 176.103 176.300 0.144 0.000 1.128 712 D CA 0.687 54.751 54.000 0.106 0.000 0.884 712 D CB 0.251 41.087 40.800 0.060 0.000 1.194 712 D HN 0.498 nan 8.370 nan 0.000 0.441 713 H N 2.757 121.861 119.070 0.055 0.000 2.866 713 H HA 0.182 4.739 4.556 0.001 0.000 0.287 713 H C 0.276 175.619 175.328 0.025 0.000 1.106 713 H CA -0.119 55.958 56.048 0.049 0.000 1.396 713 H CB 0.882 30.697 29.762 0.088 0.000 1.469 713 H HN 0.500 nan 8.280 nan 0.000 0.500 714 T N 1.315 115.760 114.554 -0.182 0.000 3.060 714 T HA 0.164 4.514 4.350 0.001 0.000 0.249 714 T C 0.571 175.181 174.700 -0.150 0.000 1.079 714 T CA -0.250 61.798 62.100 -0.086 0.000 1.013 714 T CB 0.240 69.082 68.868 -0.043 0.000 0.975 714 T HN 0.344 nan 8.240 nan 0.000 0.518 715 K N 1.598 121.729 120.400 -0.449 0.000 2.319 715 K HA 0.208 4.529 4.320 0.001 0.000 0.265 715 K C 0.335 176.865 176.600 -0.118 0.000 1.000 715 K CA 0.060 56.110 56.287 -0.395 0.000 0.943 715 K CB 0.261 32.267 32.500 -0.823 0.000 0.950 715 K HN 0.239 nan 8.250 nan 0.000 0.485 716 N N 0.814 119.526 118.700 0.019 0.000 2.322 716 N HA 0.055 4.796 4.740 0.001 0.000 0.216 716 N C -1.343 174.338 175.510 0.285 0.000 1.144 716 N CA -0.197 52.954 53.050 0.168 0.000 0.830 716 N CB 0.094 38.679 38.487 0.163 0.000 1.034 716 N HN 0.413 nan 8.380 nan 0.000 0.484 717 Y N -2.294 118.115 120.300 0.182 0.000 2.656 717 Y HA 0.569 5.120 4.550 0.001 0.000 0.334 717 Y C -1.786 174.255 175.900 0.236 0.000 1.179 717 Y CA -1.472 56.735 58.100 0.178 0.000 1.050 717 Y CB 0.942 39.465 38.460 0.104 0.000 1.308 717 Y HN -0.326 nan 8.280 nan 0.000 0.456 718 L N 2.291 123.691 121.223 0.295 0.000 2.341 718 L HA 0.714 5.055 4.340 0.001 0.000 0.267 718 L C -0.521 176.566 176.870 0.360 0.000 1.009 718 L CA -1.173 53.777 54.840 0.184 0.000 0.819 718 L CB 2.402 44.376 42.059 -0.142 0.000 1.323 718 L HN 0.691 nan 8.230 nan 0.000 0.425 719 R N -0.641 120.042 120.500 0.304 0.000 2.460 719 R HA 0.233 4.574 4.340 0.001 0.000 0.303 719 R C 0.551 176.969 176.300 0.196 0.000 0.968 719 R CA -0.628 55.637 56.100 0.275 0.000 0.889 719 R CB 1.688 32.133 30.300 0.241 0.000 1.123 719 R HN 0.515 nan 8.270 nan 0.000 0.455 720 H N 2.416 121.550 119.070 0.107 0.000 2.289 720 H HA -0.278 4.279 4.556 0.001 0.000 0.294 720 H C 2.067 177.221 175.328 -0.290 0.000 1.095 720 H CA 3.062 59.066 56.048 -0.074 0.000 1.256 720 H CB 0.451 30.119 29.762 -0.156 0.000 1.359 720 H HN 0.837 nan 8.280 nan 0.000 0.487 721 E N 0.606 120.783 120.200 -0.039 0.000 2.150 721 E HA -0.164 4.186 4.350 0.001 0.000 0.193 721 E C 1.957 178.533 176.600 -0.041 0.000 0.985 721 E CA 1.354 57.727 56.400 -0.045 0.000 0.814 721 E CB -0.434 29.285 29.700 0.031 0.000 0.752 721 E HN 0.665 nan 8.360 nan 0.000 0.466 722 D N 0.251 120.644 120.400 -0.011 0.000 2.097 722 D HA -0.056 4.585 4.640 0.001 0.000 0.197 722 D C 2.178 178.534 176.300 0.093 0.000 0.984 722 D CA 0.953 54.956 54.000 0.006 0.000 0.826 722 D CB -0.173 40.659 40.800 0.054 0.000 0.973 722 D HN 0.415 nan 8.370 nan 0.000 0.460 723 L N 0.041 121.285 121.223 0.036 0.000 2.017 723 L HA -0.174 4.166 4.340 0.001 0.000 0.208 723 L C 2.482 179.270 176.870 -0.136 0.000 1.073 723 L CA 0.781 55.616 54.840 -0.007 0.000 0.745 723 L CB -0.421 41.500 42.059 -0.231 0.000 0.894 723 L HN -0.026 nan 8.230 nan 0.000 0.432 724 F N 0.874 120.460 119.950 -0.608 0.000 2.250 724 F HA -0.196 4.332 4.527 0.001 0.000 0.301 724 F C 2.400 178.036 175.800 -0.273 0.000 1.077 724 F CA 1.084 58.644 58.000 -0.732 0.000 1.348 724 F CB -0.700 37.972 39.000 -0.546 0.000 1.040 724 F HN 0.058 nan 8.300 nan 0.000 0.509 725 K N -0.183 120.248 120.400 0.051 0.000 2.362 725 K HA 0.130 4.451 4.320 0.001 0.000 0.200 725 K C 1.314 177.979 176.600 0.108 0.000 1.046 725 K CA 0.568 56.889 56.287 0.056 0.000 0.952 725 K CB -0.463 32.044 32.500 0.013 0.000 0.753 725 K HN 0.362 nan 8.250 nan 0.000 0.466 726 G N 0.042 108.956 108.800 0.191 0.000 2.698 726 G HA2 -0.018 3.943 3.960 0.001 0.000 0.233 726 G HA3 -0.018 3.943 3.960 0.001 0.000 0.233 726 G C 0.273 175.305 174.900 0.219 0.000 1.352 726 G CA -0.340 44.913 45.100 0.255 0.000 0.879 726 G HN 0.664 nan 8.290 nan 0.000 0.567 727 G N -3.045 105.858 108.800 0.171 0.000 2.408 727 G HA2 0.476 4.436 3.960 0.001 0.000 0.204 727 G HA3 0.476 4.436 3.960 0.001 0.000 0.204 727 G C -0.150 174.830 174.900 0.133 0.000 1.186 727 G CA 0.590 45.780 45.100 0.151 0.000 1.139 727 G HN 2.243 nan 8.290 nan 0.000 0.563 728 T N 0.519 115.162 114.554 0.148 0.000 2.861 728 T HA 0.672 5.023 4.350 0.001 0.000 0.287 728 T C -0.244 174.486 174.700 0.051 0.000 1.003 728 T CA -0.251 61.894 62.100 0.076 0.000 0.977 728 T CB 1.512 70.415 68.868 0.058 0.000 0.996 728 T HN 0.613 nan 8.240 nan 0.000 0.448 729 I N 2.617 123.131 120.570 -0.094 0.000 2.378 729 I HA 0.472 4.642 4.170 0.001 0.000 0.291 729 I C -0.120 175.942 176.117 -0.092 0.000 0.992 729 I CA -0.820 60.356 61.300 -0.206 0.000 1.154 729 I CB 1.881 39.616 38.000 -0.441 0.000 1.315 729 I HN 0.282 nan 8.210 nan 0.000 0.448 730 K N 4.974 125.346 120.400 -0.048 0.000 2.244 730 K HA 0.662 4.983 4.320 0.001 0.000 0.260 730 K C -1.398 175.200 176.600 -0.004 0.000 0.951 730 K CA -0.479 55.802 56.287 -0.011 0.000 0.826 730 K CB 1.812 34.322 32.500 0.016 0.000 1.108 730 K HN 0.317 nan 8.250 nan 0.000 0.433 731 V N 3.352 123.269 119.914 0.005 0.000 2.409 731 V HA 0.209 4.330 4.120 0.001 0.000 0.290 731 V C -1.092 175.017 176.094 0.025 0.000 1.017 731 V CA -1.014 61.298 62.300 0.021 0.000 0.841 731 V CB 1.536 33.374 31.823 0.025 0.000 1.003 731 V HN 0.739 nan 8.190 nan 0.000 0.426 732 D N 5.594 126.011 120.400 0.030 0.000 2.339 732 D HA 0.428 5.068 4.640 0.001 0.000 0.241 732 D C 0.119 176.433 176.300 0.024 0.000 1.183 732 D CA -0.172 53.841 54.000 0.022 0.000 0.859 732 D CB 0.767 41.578 40.800 0.019 0.000 1.067 732 D HN 0.235 nan 8.370 nan 0.000 0.484 733 M N 1.292 120.901 119.600 0.015 0.000 2.250 733 M HA 0.361 4.842 4.480 0.001 0.000 0.344 733 M C 0.410 176.705 176.300 -0.008 0.000 1.150 733 M CA -0.299 55.007 55.300 0.010 0.000 1.147 733 M CB 1.114 33.712 32.600 -0.003 0.000 1.498 733 M HN 0.250 nan 8.290 nan 0.000 0.461 734 S N 1.025 116.717 115.700 -0.012 0.000 2.618 734 S HA 0.529 5.000 4.470 0.001 0.000 0.277 734 S C 0.236 174.793 174.600 -0.073 0.000 1.138 734 S CA -0.679 57.501 58.200 -0.034 0.000 0.844 734 S CB 1.148 64.330 63.200 -0.030 0.000 1.127 734 S HN 0.746 nan 8.310 nan 0.000 0.474 735 N N 1.492 120.139 118.700 -0.088 0.000 2.280 735 N HA 0.169 4.910 4.740 0.001 0.000 0.192 735 N C -0.160 175.333 175.510 -0.028 0.000 1.109 735 N CA -0.113 52.855 53.050 -0.136 0.000 0.855 735 N CB -0.122 38.297 38.487 -0.113 0.000 0.974 735 N HN 0.457 nan 8.380 nan 0.000 0.482 736 R N 0.682 121.135 120.500 -0.079 0.000 2.670 736 R HA 0.492 4.833 4.340 0.001 0.000 0.289 736 R C -2.663 173.268 176.300 -0.615 0.000 0.965 736 R CA -1.947 53.985 56.100 -0.279 0.000 0.899 736 R CB 1.821 31.988 30.300 -0.222 0.000 1.173 736 R HN 0.097 nan 8.270 nan 0.000 0.456 737 P HA -0.027 nan 4.420 nan 0.000 0.271 737 P C -1.017 175.891 177.300 -0.654 0.000 1.218 737 P CA -0.269 62.085 63.100 -1.243 0.000 0.780 737 P CB 0.620 31.569 31.700 -1.251 0.000 0.901 738 N N 2.821 121.265 118.700 -0.427 0.000 2.527 738 N HA 0.082 4.823 4.740 0.001 0.000 0.236 738 N C 0.545 175.800 175.510 -0.426 0.000 0.999 738 N CA -0.358 52.500 53.050 -0.320 0.000 0.935 738 N CB -0.135 38.275 38.487 -0.129 0.000 1.132 738 N HN 0.059 nan 8.380 nan 0.000 0.511 739 L N 2.765 123.611 121.223 -0.628 0.000 2.633 739 L HA 0.098 4.439 4.340 0.001 0.000 0.235 739 L C 1.340 178.010 176.870 -0.333 0.000 1.163 739 L CA 0.722 55.040 54.840 -0.870 0.000 0.859 739 L CB -0.671 40.961 42.059 -0.712 0.000 0.973 739 L HN 0.579 nan 8.230 nan 0.000 0.451 740 N N -1.010 117.600 118.700 -0.150 0.000 2.273 740 N HA 0.047 4.787 4.740 0.001 0.000 0.192 740 N C 0.811 176.355 175.510 0.057 0.000 1.132 740 N CA -0.016 53.022 53.050 -0.020 0.000 0.887 740 N CB 0.817 39.278 38.487 -0.042 0.000 1.048 740 N HN 0.245 nan 8.380 nan 0.000 0.490 741 R N 0.657 121.205 120.500 0.079 0.000 2.340 741 R HA 0.303 4.643 4.340 0.001 0.000 0.300 741 R C 0.548 176.954 176.300 0.177 0.000 1.069 741 R CA 0.645 56.810 56.100 0.109 0.000 0.984 741 R CB 0.297 30.657 30.300 0.099 0.000 1.003 741 R HN 0.198 nan 8.270 nan 0.000 0.459 742 G N 2.733 111.609 108.800 0.127 0.000 2.176 742 G HA2 -0.305 3.656 3.960 0.001 0.000 0.252 742 G HA3 -0.305 3.656 3.960 0.001 0.000 0.252 742 G C 0.523 175.511 174.900 0.146 0.000 1.024 742 G CA 0.747 45.923 45.100 0.126 0.000 0.755 742 G HN 0.764 nan 8.290 nan 0.000 0.507 743 T N -2.977 111.667 114.554 0.150 0.000 3.015 743 T HA 0.351 4.701 4.350 0.001 0.000 0.250 743 T C 1.121 175.879 174.700 0.097 0.000 1.057 743 T CA 0.635 62.825 62.100 0.151 0.000 1.066 743 T CB 0.583 69.567 68.868 0.192 0.000 0.959 743 T HN 0.449 nan 8.240 nan 0.000 0.488 744 K N 1.962 122.406 120.400 0.074 0.000 2.414 744 K HA 0.075 4.396 4.320 0.001 0.000 0.272 744 K C 1.443 178.071 176.600 0.047 0.000 0.993 744 K CA -0.183 56.135 56.287 0.051 0.000 0.964 744 K CB 0.584 33.105 32.500 0.036 0.000 0.925 744 K HN 0.035 nan 8.250 nan 0.000 0.487 745 E N 2.971 123.194 120.200 0.039 0.000 2.153 745 E HA -0.233 4.118 4.350 0.001 0.000 0.194 745 E C 1.120 177.743 176.600 0.039 0.000 0.988 745 E CA 1.498 57.917 56.400 0.033 0.000 0.811 745 E CB 0.233 29.947 29.700 0.024 0.000 0.746 745 E HN 0.709 nan 8.360 nan 0.000 0.466 746 E N 0.088 120.313 120.200 0.041 0.000 2.511 746 E HA -0.125 4.225 4.350 0.001 0.000 0.196 746 E C 0.478 177.129 176.600 0.085 0.000 1.066 746 E CA 0.592 57.027 56.400 0.059 0.000 0.871 746 E CB -0.036 29.689 29.700 0.042 0.000 0.863 746 E HN 0.180 nan 8.360 nan 0.000 0.520 747 D N 0.616 121.055 120.400 0.064 0.000 2.347 747 D HA 0.025 4.665 4.640 0.001 0.000 0.213 747 D C 0.663 177.055 176.300 0.154 0.000 0.985 747 D CA 0.339 54.379 54.000 0.068 0.000 0.879 747 D CB 0.094 40.916 40.800 0.036 0.000 0.919 747 D HN 0.194 nan 8.370 nan 0.000 0.526 748 M N 1.494 121.156 119.600 0.103 0.000 2.243 748 M HA 0.237 4.717 4.480 0.001 0.000 0.341 748 M C -2.102 174.174 176.300 -0.041 0.000 1.130 748 M CA -2.101 53.197 55.300 -0.003 0.000 1.162 748 M CB -0.083 32.490 32.600 -0.045 0.000 1.497 748 M HN -0.257 nan 8.290 nan 0.000 0.456 749 P HA 0.123 nan 4.420 nan 0.000 0.279 749 P C -0.864 176.280 177.300 -0.260 0.000 1.282 749 P CA -0.479 62.324 63.100 -0.495 0.000 0.788 749 P CB 0.247 31.577 31.700 -0.617 0.000 1.139 750 Y N 0.416 120.561 120.300 -0.257 0.000 2.712 750 Y HA 0.164 4.715 4.550 0.001 0.000 0.333 750 Y C -0.377 175.595 175.900 0.121 0.000 1.225 750 Y CA 1.142 59.222 58.100 -0.034 0.000 1.499 750 Y CB 0.112 38.584 38.460 0.019 0.000 1.288 750 Y HN 0.190 nan 8.280 nan 0.000 0.575 751 S N 7.236 122.627 115.700 -0.515 0.000 2.547 751 S HA 0.172 4.642 4.470 0.001 0.000 0.281 751 S C 0.026 174.245 174.600 -0.634 0.000 1.118 751 S CA -0.828 57.165 58.200 -0.345 0.000 0.947 751 S CB 1.184 64.321 63.200 -0.105 0.000 1.053 751 S HN 0.776 nan 8.310 nan 0.000 0.482 752 F N 3.212 122.962 119.950 -0.332 0.000 2.126 752 F HA -0.130 4.397 4.527 0.001 0.000 0.299 752 F C 2.312 178.091 175.800 -0.035 0.000 1.096 752 F CA 1.872 59.886 58.000 0.023 0.000 1.255 752 F CB -0.799 38.396 39.000 0.326 0.000 0.997 752 F HN 0.574 nan 8.300 nan 0.000 0.479 753 S N 0.066 115.669 115.700 -0.162 0.000 2.402 753 S HA -0.254 4.217 4.470 0.001 0.000 0.233 753 S C 1.860 176.326 174.600 -0.222 0.000 1.030 753 S CA 1.680 59.737 58.200 -0.237 0.000 1.003 753 S CB -0.354 62.776 63.200 -0.117 0.000 0.813 753 S HN 0.439 nan 8.310 nan 0.000 0.477 754 K N 0.918 121.197 120.400 -0.201 0.000 2.366 754 K HA 0.009 4.330 4.320 0.001 0.000 0.198 754 K C 1.048 177.574 176.600 -0.123 0.000 1.044 754 K CA 0.423 56.617 56.287 -0.155 0.000 0.973 754 K CB 0.123 32.533 32.500 -0.149 0.000 0.767 754 K HN 0.619 nan 8.250 nan 0.000 0.475 755 E N 0.000 120.123 120.200 -0.128 0.000 2.725 755 E HA 0.000 4.351 4.350 0.001 0.000 0.291 755 E CA 0.000 56.400 56.400 -0.000 0.000 0.976 755 E CB 0.000 29.825 29.700 0.208 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440