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_H DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL MGSQSTFELS TGNTYPAIAR PWGMNFWTPQ TGKMGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIMP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE MTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANMNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY MFTDTGFWDT FRCLFPLLNL MYPSVNKEMQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCMVGNNS ASILVDAYMK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAMNYK NLFDKESKLM RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLMGGKEM FVTMMDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREM TVMNMGNYAH GNQPIQHMIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVMD RMYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VMGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSMSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDMSNRPNL NRGTKEEDMP YSFSKE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.072 176.600 -0.880 0.000 0.988 20 K CA 0.000 55.727 56.287 -0.933 0.000 0.838 20 K CB 0.000 32.313 32.500 -0.311 0.000 1.064 21 D N -0.399 119.386 120.400 -1.025 0.000 2.575 21 D HA 0.479 5.119 4.640 0.000 0.000 0.250 21 D C 0.399 176.258 176.300 -0.735 0.000 1.279 21 D CA -0.426 53.173 54.000 -0.668 0.000 0.925 21 D CB 0.717 41.271 40.800 -0.409 0.000 1.261 21 D HN 0.343 nan 8.370 nan 0.000 0.567 22 W N 2.523 123.691 121.300 -0.221 0.000 3.107 22 W HA 0.016 4.676 4.660 0.000 0.000 0.293 22 W C 1.887 178.257 176.519 -0.248 0.000 1.239 22 W CA 0.645 57.794 57.345 -0.327 0.000 1.653 22 W CB 0.037 29.161 29.460 -0.560 0.000 1.068 22 W HN 0.545 nan 8.180 nan 0.000 0.615 23 T N -0.557 114.004 114.554 0.012 0.000 2.881 23 T HA -0.301 4.050 4.350 0.000 0.000 0.270 23 T C 1.662 176.319 174.700 -0.073 0.000 1.068 23 T CA 1.686 63.794 62.100 0.014 0.000 1.131 23 T CB -0.453 68.485 68.868 0.117 0.000 0.871 23 T HN 0.377 nan 8.240 nan 0.000 0.479 24 Q N -0.103 119.559 119.800 -0.230 0.000 2.297 24 Q HA -0.143 4.197 4.340 0.000 0.000 0.208 24 Q C 1.389 177.234 176.000 -0.259 0.000 0.981 24 Q CA 1.361 56.978 55.803 -0.311 0.000 0.876 24 Q CB -0.755 27.673 28.738 -0.517 0.000 0.921 24 Q HN 0.627 nan 8.270 nan 0.000 0.446 25 Y N 0.472 120.799 120.300 0.045 0.000 2.510 25 Y HA 0.219 4.770 4.550 0.001 0.000 0.273 25 Y C 0.652 176.625 175.900 0.122 0.000 1.119 25 Y CA -0.684 57.504 58.100 0.146 0.000 1.286 25 Y CB 0.608 39.251 38.460 0.306 0.000 1.061 25 Y HN -0.119 nan 8.280 nan 0.000 0.542 26 V N 2.492 122.487 119.914 0.134 0.000 2.470 26 V HA 0.038 4.159 4.120 0.000 0.000 0.276 26 V C -0.077 175.948 176.094 -0.114 0.000 1.040 26 V CA -0.426 61.857 62.300 -0.029 0.000 1.008 26 V CB 0.481 32.120 31.823 -0.307 0.000 0.990 26 V HN 0.246 nan 8.190 nan 0.000 0.477 27 N N 7.438 126.107 118.700 -0.052 0.000 2.621 27 N HA 0.396 5.136 4.740 0.000 0.000 0.237 27 N C -1.958 173.524 175.510 -0.047 0.000 0.997 27 N CA -2.231 50.793 53.050 -0.044 0.000 0.918 27 N CB 1.974 40.473 38.487 0.020 0.000 1.122 27 N HN 0.203 nan 8.380 nan 0.000 0.510 28 P HA 0.020 nan 4.420 nan 0.000 0.234 28 P C 0.773 178.110 177.300 0.063 0.000 1.167 28 P CA 0.786 63.856 63.100 -0.050 0.000 0.763 28 P CB 0.311 31.912 31.700 -0.166 0.000 0.835 29 L N -2.248 119.022 121.223 0.079 0.000 2.567 29 L HA 0.191 4.532 4.340 0.000 0.000 0.225 29 L C 1.327 178.278 176.870 0.134 0.000 1.119 29 L CA -0.151 54.781 54.840 0.153 0.000 0.871 29 L CB -0.373 41.814 42.059 0.214 0.000 1.036 29 L HN 0.085 nan 8.230 nan 0.000 0.459 30 M N 1.013 120.676 119.600 0.106 0.000 2.356 30 M HA 0.164 4.644 4.480 0.000 0.000 0.348 30 M C 0.965 177.396 176.300 0.218 0.000 1.595 30 M CA 1.144 56.500 55.300 0.093 0.000 1.095 30 M CB 0.086 32.717 32.600 0.051 0.000 1.963 30 M HN 0.277 nan 8.290 nan 0.000 0.459 31 G N 2.329 111.250 108.800 0.202 0.000 2.176 31 G HA2 -0.257 3.703 3.960 0.000 0.000 0.232 31 G HA3 -0.257 3.703 3.960 0.000 0.000 0.232 31 G C 0.486 175.528 174.900 0.237 0.000 0.986 31 G CA 0.452 45.730 45.100 0.296 0.000 0.643 31 G HN 0.868 nan 8.290 nan 0.000 0.522 32 S N -1.021 114.827 115.700 0.246 0.000 2.558 32 S HA 0.250 4.721 4.470 0.000 0.000 0.217 32 S C 1.073 175.873 174.600 0.333 0.000 0.975 32 S CA 0.897 59.311 58.200 0.356 0.000 0.912 32 S CB 0.325 63.850 63.200 0.542 0.000 0.776 32 S HN 0.505 nan 8.310 nan 0.000 0.526 33 Q N 2.076 122.005 119.800 0.215 0.000 3.135 33 Q HA 0.377 4.718 4.340 0.000 0.000 0.344 33 Q C -1.015 175.078 176.000 0.154 0.000 1.321 33 Q CA -0.301 55.608 55.803 0.176 0.000 1.050 33 Q CB 0.045 28.807 28.738 0.039 0.000 1.498 33 Q HN 0.393 nan 8.270 nan 0.000 0.503 34 S N -0.105 115.719 115.700 0.206 0.000 2.568 34 S HA 0.654 5.125 4.470 0.000 0.000 0.302 34 S C -0.226 174.475 174.600 0.169 0.000 1.082 34 S CA -0.709 57.611 58.200 0.199 0.000 1.009 34 S CB 1.884 65.239 63.200 0.259 0.000 1.069 34 S HN 0.522 nan 8.310 nan 0.000 0.500 35 T N -1.462 113.146 114.554 0.091 0.000 2.907 35 T HA 0.544 4.894 4.350 0.000 0.000 0.290 35 T C 0.590 175.272 174.700 -0.031 0.000 1.066 35 T CA -0.787 61.278 62.100 -0.059 0.000 1.012 35 T CB 0.566 69.408 68.868 -0.044 0.000 1.184 35 T HN 0.338 nan 8.240 nan 0.000 0.522 36 F N 1.019 120.752 119.950 -0.362 0.000 2.120 36 F HA -0.049 4.478 4.527 0.001 0.000 0.300 36 F C 2.263 178.092 175.800 0.049 0.000 1.095 36 F CA 1.899 59.783 58.000 -0.194 0.000 1.249 36 F CB -0.151 38.659 39.000 -0.317 0.000 0.995 36 F HN 0.792 nan 8.300 nan 0.000 0.480 37 E N -0.489 119.798 120.200 0.144 0.000 2.158 37 E HA -0.005 4.346 4.350 0.000 0.000 0.191 37 E C -0.271 176.369 176.600 0.066 0.000 0.982 37 E CA 0.473 56.933 56.400 0.100 0.000 0.823 37 E CB 0.209 29.975 29.700 0.110 0.000 0.766 37 E HN 0.202 nan 8.360 nan 0.000 0.468 38 L N 0.089 121.349 121.223 0.062 0.000 2.439 38 L HA 0.280 4.620 4.340 0.000 0.000 0.270 38 L C -0.967 175.956 176.870 0.088 0.000 0.972 38 L CA -0.385 54.500 54.840 0.076 0.000 0.836 38 L CB 2.166 44.255 42.059 0.049 0.000 1.255 38 L HN -0.245 nan 8.230 nan 0.000 0.404 39 S N 1.413 117.188 115.700 0.125 0.000 2.525 39 S HA 0.484 4.954 4.470 0.000 0.000 0.278 39 S C 0.739 175.418 174.600 0.132 0.000 1.234 39 S CA 0.195 58.474 58.200 0.131 0.000 1.058 39 S CB 0.728 64.018 63.200 0.150 0.000 0.983 39 S HN 0.761 nan 8.310 nan 0.000 0.495 40 T N 1.192 115.831 114.554 0.140 0.000 3.215 40 T HA 0.553 4.903 4.350 0.000 0.000 0.271 40 T C 1.054 175.897 174.700 0.239 0.000 1.012 40 T CA 0.233 62.422 62.100 0.149 0.000 0.899 40 T CB 0.190 69.121 68.868 0.105 0.000 1.089 40 T HN 1.059 nan 8.240 nan 0.000 0.552 41 G N 1.518 110.430 108.800 0.187 0.000 3.675 41 G HA2 -0.130 3.831 3.960 0.000 0.000 0.206 41 G HA3 -0.130 3.831 3.960 0.000 0.000 0.206 41 G C 0.153 175.071 174.900 0.031 0.000 1.086 41 G CA -0.185 44.974 45.100 0.099 0.000 0.894 41 G HN 0.360 nan 8.290 nan 0.000 0.412 42 N N 1.406 120.166 118.700 0.101 0.000 2.738 42 N HA -0.139 4.601 4.740 0.000 0.000 0.249 42 N C 0.331 175.830 175.510 -0.018 0.000 1.047 42 N CA 1.920 54.991 53.050 0.036 0.000 0.707 42 N CB -1.609 36.864 38.487 -0.024 0.000 0.937 42 N HN 1.384 nan 8.380 nan 0.000 0.545 43 T N -2.626 111.961 114.554 0.055 0.000 2.949 43 T HA 0.780 5.130 4.350 0.000 0.000 0.287 43 T C -0.005 174.774 174.700 0.132 0.000 1.034 43 T CA -0.750 61.352 62.100 0.003 0.000 1.018 43 T CB 2.114 70.980 68.868 -0.003 0.000 1.135 43 T HN 0.237 nan 8.240 nan 0.000 0.532 44 Y N -2.246 118.112 120.300 0.097 0.000 2.633 44 Y HA 0.767 5.317 4.550 0.001 0.000 0.339 44 Y C -3.098 172.798 175.900 -0.007 0.000 1.045 44 Y CA -3.635 54.511 58.100 0.075 0.000 1.098 44 Y CB 0.192 38.693 38.460 0.067 0.000 1.296 44 Y HN 0.354 nan 8.280 nan 0.000 0.494 45 P HA 0.233 nan 4.420 nan 0.000 0.268 45 P C -0.742 176.582 177.300 0.040 0.000 1.485 45 P CA 0.057 63.112 63.100 -0.074 0.000 1.102 45 P CB 0.142 31.664 31.700 -0.296 0.000 1.501 46 A N 5.867 128.681 122.820 -0.011 0.000 2.544 46 A HA 0.228 4.548 4.320 0.000 0.000 0.301 46 A C 0.356 177.895 177.584 -0.074 0.000 1.368 46 A CA -0.248 51.752 52.037 -0.061 0.000 1.045 46 A CB -0.733 18.018 19.000 -0.414 0.000 1.129 46 A HN 0.352 nan 8.150 nan 0.000 0.540 47 I N 2.278 122.837 120.570 -0.018 0.000 2.308 47 I HA 0.521 4.692 4.170 0.000 0.000 0.293 47 I C 0.607 176.768 176.117 0.075 0.000 1.078 47 I CA 0.219 61.518 61.300 -0.002 0.000 1.292 47 I CB -0.524 37.469 38.000 -0.012 0.000 1.423 47 I HN 0.666 nan 8.210 nan 0.000 0.493 48 A N 7.237 130.123 122.820 0.110 0.000 2.586 48 A HA 0.732 5.052 4.320 0.000 0.000 0.290 48 A C -0.376 177.444 177.584 0.393 0.000 1.086 48 A CA -0.874 51.269 52.037 0.177 0.000 0.665 48 A CB 1.661 20.555 19.000 -0.178 0.000 1.279 48 A HN 0.446 nan 8.150 nan 0.000 0.423 49 R N -0.097 120.559 120.500 0.259 0.000 2.577 49 R HA 0.441 4.782 4.340 0.000 0.000 0.269 49 R C -2.614 173.590 176.300 -0.159 0.000 1.084 49 R CA -2.004 54.129 56.100 0.054 0.000 1.163 49 R CB -0.488 29.827 30.300 0.025 0.000 1.100 49 R HN 0.407 nan 8.270 nan 0.000 0.547 50 P HA -0.111 nan 4.420 nan 0.000 0.261 50 P C -0.297 176.854 177.300 -0.248 0.000 1.183 50 P CA 0.462 62.973 63.100 -0.982 0.000 0.761 50 P CB 0.181 31.136 31.700 -1.241 0.000 0.785 51 W N 0.425 121.735 121.300 0.016 0.000 4.233 51 W HA -0.155 4.505 4.660 0.000 0.000 0.328 51 W C 0.713 177.341 176.519 0.182 0.000 1.212 51 W CA 0.884 58.313 57.345 0.141 0.000 0.752 51 W CB -2.446 27.118 29.460 0.173 0.000 2.277 51 W HN 0.480 nan 8.180 nan 0.000 1.465 52 G N 0.915 109.965 108.800 0.417 0.000 2.414 52 G HA2 0.187 4.148 3.960 0.000 0.000 0.236 52 G HA3 0.187 4.148 3.960 0.000 0.000 0.236 52 G C 0.838 175.910 174.900 0.287 0.000 1.293 52 G CA 0.292 45.619 45.100 0.378 0.000 0.869 52 G HN 0.286 nan 8.290 nan 0.000 0.556 53 M N 1.558 121.259 119.600 0.167 0.000 2.175 53 M HA 0.004 4.484 4.480 0.000 0.000 0.264 53 M C 0.075 176.506 176.300 0.219 0.000 1.063 53 M CA 1.034 56.427 55.300 0.155 0.000 1.119 53 M CB 0.031 32.696 32.600 0.108 0.000 1.377 53 M HN 0.408 nan 8.290 nan 0.000 0.415 54 N N 0.287 119.096 118.700 0.182 0.000 2.372 54 N HA 0.297 5.038 4.740 0.000 0.000 0.285 54 N C -1.605 174.002 175.510 0.163 0.000 1.008 54 N CA -0.313 52.738 53.050 0.002 0.000 0.880 54 N CB 1.256 39.791 38.487 0.080 0.000 1.239 54 N HN -0.006 nan 8.380 nan 0.000 0.484 55 F N 0.613 120.377 119.950 -0.311 0.000 2.399 55 F HA 0.500 5.027 4.527 0.000 0.000 0.328 55 F C 0.030 175.602 175.800 -0.380 0.000 1.084 55 F CA -1.254 56.654 58.000 -0.153 0.000 1.053 55 F CB 0.683 39.659 39.000 -0.040 0.000 1.209 55 F HN 0.299 nan 8.300 nan 0.000 0.502 56 W N 0.340 121.699 121.300 0.098 0.000 2.736 56 W HA 0.585 5.245 4.660 0.000 0.000 0.335 56 W C -0.242 176.242 176.519 -0.059 0.000 1.059 56 W CA -0.575 56.757 57.345 -0.021 0.000 1.226 56 W CB 2.167 31.602 29.460 -0.042 0.000 1.416 56 W HN 0.416 nan 8.180 nan 0.000 0.505 57 T N 3.614 118.228 114.554 0.101 0.000 2.923 57 T HA 0.482 4.832 4.350 0.000 0.000 0.311 57 T C -2.856 171.773 174.700 -0.118 0.000 1.183 57 T CA -2.130 59.921 62.100 -0.082 0.000 1.020 57 T CB 1.460 70.267 68.868 -0.102 0.000 1.165 57 T HN 0.080 nan 8.240 nan 0.000 0.482 58 P HA 0.154 nan 4.420 nan 0.000 0.268 58 P C -1.192 176.036 177.300 -0.120 0.000 1.205 58 P CA -0.117 62.794 63.100 -0.316 0.000 0.771 58 P CB 0.472 31.975 31.700 -0.328 0.000 0.858 59 Q N 1.587 121.256 119.800 -0.217 0.000 2.357 59 Q HA 0.278 4.618 4.340 0.000 0.000 0.266 59 Q C 0.624 176.549 176.000 -0.125 0.000 1.021 59 Q CA -0.388 55.353 55.803 -0.104 0.000 0.784 59 Q CB 1.044 29.719 28.738 -0.105 0.000 1.243 59 Q HN 0.520 nan 8.270 nan 0.000 0.465 60 T N -0.089 114.426 114.554 -0.066 0.000 3.033 60 T HA 0.233 4.583 4.350 0.000 0.000 0.248 60 T C 0.968 175.614 174.700 -0.090 0.000 1.040 60 T CA 0.451 62.478 62.100 -0.120 0.000 1.133 60 T CB 0.018 68.773 68.868 -0.189 0.000 0.895 60 T HN 0.532 nan 8.240 nan 0.000 0.465 61 G N 1.588 110.364 108.800 -0.040 0.000 2.636 61 G HA2 0.409 4.369 3.960 0.000 0.000 0.246 61 G HA3 0.409 4.369 3.960 0.000 0.000 0.246 61 G C -0.527 174.346 174.900 -0.045 0.000 1.216 61 G CA -0.739 44.349 45.100 -0.020 0.000 0.854 61 G HN 0.489 nan 8.290 nan 0.000 0.572 62 K N 0.260 120.632 120.400 -0.048 0.000 2.168 62 K HA 0.145 4.465 4.320 0.000 0.000 0.258 62 K C 0.808 177.366 176.600 -0.070 0.000 1.010 62 K CA -0.418 55.825 56.287 -0.073 0.000 0.929 62 K CB 0.960 33.417 32.500 -0.070 0.000 0.998 62 K HN 0.543 nan 8.250 nan 0.000 0.479 63 M N 1.568 121.081 119.600 -0.145 0.000 2.286 63 M HA -0.106 4.374 4.480 0.000 0.000 0.365 63 M C 0.686 176.942 176.300 -0.073 0.000 1.443 63 M CA 1.969 57.144 55.300 -0.208 0.000 0.951 63 M CB -0.344 31.942 32.600 -0.523 0.000 1.961 63 M HN 0.986 nan 8.290 nan 0.000 0.468 64 G N 3.148 111.969 108.800 0.035 0.000 2.213 64 G HA2 -0.230 3.730 3.960 0.000 0.000 0.236 64 G HA3 -0.230 3.730 3.960 0.000 0.000 0.236 64 G C -0.191 174.741 174.900 0.053 0.000 0.991 64 G CA 0.171 45.306 45.100 0.058 0.000 0.629 64 G HN 0.797 nan 8.290 nan 0.000 0.517 65 D N 1.297 121.727 120.400 0.050 0.000 2.343 65 D HA 0.467 5.107 4.640 0.000 0.000 0.255 65 D C 1.738 178.091 176.300 0.088 0.000 1.187 65 D CA 0.673 54.728 54.000 0.092 0.000 0.875 65 D CB 0.720 41.574 40.800 0.091 0.000 1.136 65 D HN 0.238 nan 8.370 nan 0.000 0.469 66 G N 3.915 112.762 108.800 0.078 0.000 2.475 66 G HA2 -0.243 3.717 3.960 0.000 0.000 0.220 66 G HA3 -0.243 3.717 3.960 0.000 0.000 0.220 66 G C 0.691 175.421 174.900 -0.283 0.000 1.125 66 G CA 0.018 45.005 45.100 -0.188 0.000 0.755 66 G HN 0.596 nan 8.290 nan 0.000 0.565 67 W N 2.152 123.395 121.300 -0.096 0.000 2.072 67 W HA 0.243 4.903 4.660 -0.000 0.000 0.413 67 W C 1.386 177.890 176.519 -0.023 0.000 0.865 67 W CA -0.381 56.933 57.345 -0.053 0.000 1.579 67 W CB -0.039 29.383 29.460 -0.064 0.000 1.720 67 W HN 0.537 nan 8.180 nan 0.000 0.301 68 Q N 1.289 121.139 119.800 0.082 0.000 2.331 68 Q HA -0.105 4.235 4.340 0.000 0.000 0.203 68 Q C -0.039 176.032 176.000 0.119 0.000 0.944 68 Q CA 0.979 56.805 55.803 0.038 0.000 0.892 68 Q CB 0.256 28.934 28.738 -0.100 0.000 0.983 68 Q HN 0.391 nan 8.270 nan 0.000 0.482 69 Y N 1.443 121.783 120.300 0.066 0.000 2.354 69 Y HA 0.377 4.928 4.550 0.000 0.000 0.330 69 Y C -1.399 174.625 175.900 0.207 0.000 1.011 69 Y CA -0.636 57.533 58.100 0.115 0.000 1.099 69 Y CB 2.139 40.672 38.460 0.122 0.000 1.179 69 Y HN 0.082 nan 8.280 nan 0.000 0.442 70 T N 2.094 116.549 114.554 -0.165 0.000 2.848 70 T HA 0.169 4.520 4.350 0.000 0.000 0.285 70 T C 0.180 174.832 174.700 -0.080 0.000 0.995 70 T CA -0.578 61.543 62.100 0.034 0.000 0.970 70 T CB 1.067 69.990 68.868 0.092 0.000 0.976 70 T HN 0.752 nan 8.240 nan 0.000 0.441 71 Y N 3.307 123.643 120.300 0.059 0.000 2.298 71 Y HA -0.151 4.399 4.550 0.001 0.000 0.287 71 Y C 2.434 178.433 175.900 0.165 0.000 1.164 71 Y CA 2.328 60.506 58.100 0.130 0.000 1.229 71 Y CB -0.172 38.340 38.460 0.085 0.000 0.977 71 Y HN 0.866 nan 8.280 nan 0.000 0.538 72 T N -1.713 112.907 114.554 0.111 0.000 3.107 72 T HA 0.427 4.777 4.350 0.000 0.000 0.249 72 T C 0.712 175.341 174.700 -0.120 0.000 1.096 72 T CA 0.152 62.265 62.100 0.022 0.000 1.012 72 T CB -0.428 68.472 68.868 0.054 0.000 0.977 72 T HN 0.338 nan 8.240 nan 0.000 0.527 73 A N 1.789 124.507 122.820 -0.169 0.000 2.407 73 A HA 0.466 4.786 4.320 0.000 0.000 0.248 73 A C 1.115 178.481 177.584 -0.364 0.000 1.082 73 A CA -0.649 51.250 52.037 -0.231 0.000 0.785 73 A CB 0.270 19.149 19.000 -0.202 0.000 1.020 73 A HN 0.242 nan 8.150 nan 0.000 0.489 74 N N 0.300 118.708 118.700 -0.487 0.000 2.409 74 N HA 0.046 4.786 4.740 0.000 0.000 0.174 74 N C -0.191 174.926 175.510 -0.654 0.000 1.037 74 N CA 0.922 53.458 53.050 -0.858 0.000 0.898 74 N CB 0.206 37.817 38.487 -1.459 0.000 1.010 74 N HN 0.635 nan 8.380 nan 0.000 0.445 75 K N 0.445 120.645 120.400 -0.334 0.000 2.375 75 K HA 0.505 4.825 4.320 0.000 0.000 0.249 75 K C -0.695 175.879 176.600 -0.043 0.000 0.942 75 K CA -0.550 55.649 56.287 -0.148 0.000 0.806 75 K CB 2.653 34.984 32.500 -0.282 0.000 1.227 75 K HN -0.157 nan 8.250 nan 0.000 0.430 76 I N 2.806 123.319 120.570 -0.095 0.000 2.377 76 I HA 0.272 4.442 4.170 0.000 0.000 0.293 76 I C 1.218 177.207 176.117 -0.212 0.000 0.987 76 I CA -0.427 60.713 61.300 -0.268 0.000 1.185 76 I CB 1.338 39.045 38.000 -0.487 0.000 1.341 76 I HN 0.674 nan 8.210 nan 0.000 0.455 77 R N 4.311 124.678 120.500 -0.222 0.000 2.476 77 R HA 0.523 4.863 4.340 0.000 0.000 0.276 77 R C 0.144 176.338 176.300 -0.175 0.000 0.941 77 R CA -0.179 55.823 56.100 -0.164 0.000 1.088 77 R CB 0.938 31.152 30.300 -0.143 0.000 1.216 77 R HN 0.731 nan 8.270 nan 0.000 0.533 78 G N 0.559 109.188 108.800 -0.285 0.000 2.338 78 G HA2 0.359 4.319 3.960 0.000 0.000 0.295 78 G HA3 0.359 4.319 3.960 0.000 0.000 0.295 78 G C -1.926 172.708 174.900 -0.443 0.000 1.461 78 G CA -0.946 44.024 45.100 -0.217 0.000 0.817 78 G HN 0.040 nan 8.290 nan 0.000 0.556 79 F N 1.079 121.084 119.950 0.091 0.000 2.375 79 F HA 0.614 5.141 4.527 0.000 0.000 0.361 79 F C 0.544 176.483 175.800 0.232 0.000 1.117 79 F CA -0.679 57.441 58.000 0.201 0.000 1.037 79 F CB 2.323 41.560 39.000 0.395 0.000 1.192 79 F HN 0.399 nan 8.300 nan 0.000 0.452 80 K N 2.960 123.472 120.400 0.187 0.000 2.164 80 K HA 0.337 4.658 4.320 0.000 0.000 0.258 80 K C -0.741 175.492 176.600 -0.613 0.000 0.951 80 K CA -0.702 55.473 56.287 -0.186 0.000 0.844 80 K CB 1.484 33.853 32.500 -0.217 0.000 1.099 80 K HN 0.676 nan 8.250 nan 0.000 0.435 81 Q N 2.526 121.477 119.800 -1.416 0.000 2.294 81 Q HA 0.143 4.484 4.340 0.000 0.000 0.257 81 Q C -1.224 174.139 176.000 -1.061 0.000 0.955 81 Q CA 0.010 54.697 55.803 -1.860 0.000 0.936 81 Q CB 1.465 28.913 28.738 -2.151 0.000 1.188 81 Q HN 0.665 nan 8.270 nan 0.000 0.420 82 T N 2.137 116.159 114.554 -0.886 0.000 2.906 82 T HA 0.416 4.766 4.350 0.000 0.000 0.295 82 T C -0.703 173.523 174.700 -0.789 0.000 1.075 82 T CA -0.407 61.303 62.100 -0.650 0.000 1.005 82 T CB 0.966 69.538 68.868 -0.492 0.000 1.136 82 T HN 0.783 nan 8.240 nan 0.000 0.498 83 H N 0.362 119.203 119.070 -0.382 0.000 3.233 83 H HA 0.368 4.924 4.556 0.000 0.000 0.263 83 H C 0.585 175.868 175.328 -0.076 0.000 1.168 83 H CA -0.369 55.442 56.048 -0.395 0.000 1.159 83 H CB 0.557 29.815 29.762 -0.839 0.000 1.593 83 H HN 0.437 nan 8.280 nan 0.000 0.580 84 Q N 3.686 123.530 119.800 0.073 0.000 2.247 84 Q HA -0.013 4.327 4.340 0.000 0.000 0.288 84 Q C -1.568 174.685 176.000 0.421 0.000 1.079 84 Q CA -1.113 54.808 55.803 0.197 0.000 0.932 84 Q CB 0.961 29.731 28.738 0.053 0.000 1.133 84 Q HN 0.245 nan 8.270 nan 0.000 0.377 85 P HA 0.061 nan 4.420 nan 0.000 0.239 85 P C -0.335 176.959 177.300 -0.011 0.000 1.188 85 P CA 0.292 63.415 63.100 0.038 0.000 0.794 85 P CB 0.728 32.527 31.700 0.166 0.000 0.937 86 S N -0.596 115.125 115.700 0.035 0.000 2.558 86 S HA 0.369 4.840 4.470 0.000 0.000 0.277 86 S C -2.476 171.990 174.600 -0.224 0.000 1.143 86 S CA -1.171 57.000 58.200 -0.047 0.000 0.865 86 S CB 1.314 64.558 63.200 0.073 0.000 1.102 86 S HN -0.276 nan 8.310 nan 0.000 0.454 87 P HA -0.020 nan 4.420 nan 0.000 0.218 87 P C 0.879 177.722 177.300 -0.762 0.000 1.149 87 P CA 1.225 63.729 63.100 -0.992 0.000 0.817 87 P CB -0.139 30.273 31.700 -2.146 0.000 0.785 88 W N -0.121 121.010 121.300 -0.281 0.000 2.409 88 W HA -0.041 4.619 4.660 0.000 0.000 0.299 88 W C 2.280 178.700 176.519 -0.166 0.000 1.203 88 W CA -0.042 57.213 57.345 -0.149 0.000 1.298 88 W CB -1.041 28.361 29.460 -0.097 0.000 1.127 88 W HN -0.185 nan 8.180 nan 0.000 0.528 89 I N -0.059 120.489 120.570 -0.035 0.000 2.439 89 I HA -0.131 4.039 4.170 0.000 0.000 0.251 89 I C 1.198 177.264 176.117 -0.085 0.000 1.139 89 I CA 1.112 62.313 61.300 -0.165 0.000 1.438 89 I CB -1.690 36.116 38.000 -0.323 0.000 1.085 89 I HN 0.186 nan 8.210 nan 0.000 0.427 90 N N 0.882 119.538 118.700 -0.073 0.000 6.874 90 N HA -0.198 4.542 4.740 0.000 0.000 0.421 90 N C -0.375 175.156 175.510 0.035 0.000 0.945 90 N CA 0.848 53.876 53.050 -0.038 0.000 1.414 90 N CB -0.351 38.127 38.487 -0.015 0.000 0.811 90 N HN 0.162 nan 8.380 nan 0.000 0.316 91 D N -0.799 119.631 120.400 0.049 0.000 2.442 91 D HA 0.727 5.367 4.640 0.000 0.000 0.254 91 D C -0.640 175.772 176.300 0.186 0.000 1.069 91 D CA 0.125 54.166 54.000 0.067 0.000 1.017 91 D CB 0.806 41.582 40.800 -0.040 0.000 1.172 91 D HN 0.428 nan 8.370 nan 0.000 0.561 92 Y N -3.279 117.082 120.300 0.101 0.000 2.656 92 Y HA 0.479 5.029 4.550 0.000 0.000 0.334 92 Y C 0.228 176.343 175.900 0.358 0.000 1.179 92 Y CA -1.079 57.105 58.100 0.140 0.000 1.050 92 Y CB 0.831 39.257 38.460 -0.056 0.000 1.308 92 Y HN 0.508 nan 8.280 nan 0.000 0.456 93 G N 2.007 111.176 108.800 0.615 0.000 2.350 93 G HA2 -0.120 3.841 3.960 0.000 0.000 0.298 93 G HA3 -0.120 3.841 3.960 0.000 0.000 0.298 93 G C -0.797 174.234 174.900 0.220 0.000 1.037 93 G CA 0.396 45.809 45.100 0.522 0.000 1.074 93 G HN 0.993 nan 8.290 nan 0.000 0.511 94 Q N -0.831 118.979 119.800 0.016 0.000 2.337 94 Q HA 0.843 5.184 4.340 0.000 0.000 0.270 94 Q C -0.334 175.290 176.000 -0.625 0.000 1.043 94 Q CA -1.248 54.308 55.803 -0.412 0.000 0.794 94 Q CB 2.083 30.495 28.738 -0.544 0.000 1.281 94 Q HN 0.997 nan 8.270 nan 0.000 0.446 95 F N -1.007 118.455 119.950 -0.815 0.000 2.745 95 F HA 0.843 5.370 4.527 0.001 0.000 0.316 95 F C -1.261 174.315 175.800 -0.374 0.000 1.155 95 F CA -0.848 56.747 58.000 -0.676 0.000 0.937 95 F CB 1.341 40.063 39.000 -0.463 0.000 1.361 95 F HN 0.701 nan 8.300 nan 0.000 0.472 96 S N 1.092 116.816 115.700 0.040 0.000 2.618 96 S HA 0.838 5.309 4.470 0.000 0.000 0.277 96 S C -1.631 173.081 174.600 0.186 0.000 1.138 96 S CA -0.747 57.489 58.200 0.061 0.000 0.844 96 S CB 2.051 65.366 63.200 0.192 0.000 1.127 96 S HN 1.149 nan 8.310 nan 0.000 0.474 97 I N 1.186 121.851 120.570 0.159 0.000 2.647 97 I HA 0.750 4.920 4.170 0.000 0.000 0.295 97 I C -1.887 174.316 176.117 0.144 0.000 1.078 97 I CA -1.164 60.203 61.300 0.111 0.000 1.048 97 I CB 2.100 40.077 38.000 -0.039 0.000 1.239 97 I HN 0.901 nan 8.210 nan 0.000 0.421 98 M N 10.625 130.258 119.600 0.055 0.000 2.206 98 M HA 0.548 5.028 4.480 0.000 0.000 0.272 98 M C -2.908 173.306 176.300 -0.143 0.000 1.012 98 M CA -1.731 53.594 55.300 0.042 0.000 0.986 98 M CB 2.278 34.876 32.600 -0.005 0.000 1.740 98 M HN 0.129 nan 8.290 nan 0.000 0.472 99 P HA 0.565 nan 4.420 nan 0.000 0.282 99 P C -1.077 176.022 177.300 -0.335 0.000 1.249 99 P CA -0.270 62.581 63.100 -0.415 0.000 0.806 99 P CB 0.845 32.050 31.700 -0.825 0.000 0.984 100 I N -1.166 119.245 120.570 -0.265 0.000 3.352 100 I HA 0.760 4.930 4.170 0.000 0.000 0.316 100 I C -1.556 174.496 176.117 -0.108 0.000 1.214 100 I CA -1.396 59.528 61.300 -0.626 0.000 0.934 100 I CB 2.139 39.810 38.000 -0.547 0.000 1.310 100 I HN 0.063 nan 8.210 nan 0.000 0.475 101 V N 0.601 120.488 119.914 -0.045 0.000 3.087 101 V HA 0.827 4.948 4.120 0.000 0.000 0.306 101 V C 0.489 176.722 176.094 0.231 0.000 1.187 101 V CA 0.661 63.078 62.300 0.195 0.000 0.999 101 V CB 1.331 33.299 31.823 0.241 0.000 1.049 101 V HN 1.465 nan 8.190 nan 0.000 0.431 102 G N 3.301 112.249 108.800 0.248 0.000 2.848 102 G HA2 -0.135 3.825 3.960 0.000 0.000 0.246 102 G HA3 -0.135 3.825 3.960 0.000 0.000 0.246 102 G C -0.431 174.558 174.900 0.148 0.000 1.374 102 G CA -0.140 45.074 45.100 0.189 0.000 0.982 102 G HN 0.676 nan 8.290 nan 0.000 0.563 103 Q N 2.673 122.486 119.800 0.022 0.000 2.314 103 Q HA 0.430 4.770 4.340 0.000 0.000 0.258 103 Q C -2.134 173.687 176.000 -0.300 0.000 0.954 103 Q CA -1.526 54.203 55.803 -0.123 0.000 0.890 103 Q CB 1.140 29.817 28.738 -0.102 0.000 1.210 103 Q HN 0.483 nan 8.270 nan 0.000 0.410 104 P HA 0.051 nan 4.420 nan 0.000 0.277 104 P C -0.608 176.444 177.300 -0.414 0.000 1.354 104 P CA -0.084 62.429 63.100 -0.979 0.000 0.891 104 P CB 0.230 31.115 31.700 -1.358 0.000 1.058 105 V N 1.584 121.339 119.914 -0.265 0.000 2.604 105 V HA 0.470 4.590 4.120 0.000 0.000 0.305 105 V C 0.113 176.180 176.094 -0.044 0.000 1.043 105 V CA -0.687 61.545 62.300 -0.114 0.000 0.888 105 V CB 1.809 33.584 31.823 -0.081 0.000 0.995 105 V HN 0.307 nan 8.190 nan 0.000 0.429 106 F N 2.371 122.241 119.950 -0.134 0.000 2.559 106 F HA 0.314 4.841 4.527 0.000 0.000 0.286 106 F C 1.278 177.016 175.800 -0.103 0.000 1.108 106 F CA 0.296 58.225 58.000 -0.119 0.000 1.436 106 F CB 0.256 39.176 39.000 -0.134 0.000 1.130 106 F HN 0.826 nan 8.300 nan 0.000 0.584 107 D N 2.287 122.668 120.400 -0.031 0.000 2.571 107 D HA -0.174 4.466 4.640 0.000 0.000 0.231 107 D C 0.989 177.168 176.300 -0.203 0.000 1.133 107 D CA 0.792 54.735 54.000 -0.096 0.000 0.862 107 D CB 0.886 41.664 40.800 -0.035 0.000 1.179 107 D HN 0.704 nan 8.370 nan 0.000 0.474 108 E N 2.161 122.231 120.200 -0.216 0.000 2.482 108 E HA -0.110 4.240 4.350 0.000 0.000 0.196 108 E C 0.803 177.319 176.600 -0.139 0.000 1.047 108 E CA 0.754 57.024 56.400 -0.216 0.000 0.869 108 E CB 0.090 29.662 29.700 -0.214 0.000 0.836 108 E HN 0.586 nan 8.360 nan 0.000 0.520 109 E N 1.225 121.363 120.200 -0.103 0.000 2.206 109 E HA 0.033 4.383 4.350 0.000 0.000 0.195 109 E C 1.804 178.371 176.600 -0.055 0.000 0.935 109 E CA 0.093 56.446 56.400 -0.078 0.000 0.875 109 E CB 0.099 29.760 29.700 -0.065 0.000 0.841 109 E HN 0.142 nan 8.360 nan 0.000 0.477 110 K N 1.363 121.734 120.400 -0.048 0.000 2.147 110 K HA -0.139 4.181 4.320 0.000 0.000 0.205 110 K C 2.275 178.877 176.600 0.003 0.000 1.049 110 K CA 1.272 57.545 56.287 -0.023 0.000 0.936 110 K CB -0.138 32.347 32.500 -0.026 0.000 0.722 110 K HN 0.087 nan 8.250 nan 0.000 0.446 111 R N 0.659 121.146 120.500 -0.022 0.000 2.275 111 R HA 0.183 4.523 4.340 0.000 0.000 0.199 111 R C 0.570 176.941 176.300 0.119 0.000 0.989 111 R CA 0.219 56.338 56.100 0.031 0.000 1.016 111 R CB 0.014 30.267 30.300 -0.077 0.000 0.918 111 R HN -0.075 nan 8.270 nan 0.000 0.473 112 A N 1.402 124.235 122.820 0.021 0.000 2.425 112 A HA 0.303 4.623 4.320 0.000 0.000 0.242 112 A C -0.256 177.326 177.584 -0.003 0.000 1.077 112 A CA -0.017 52.015 52.037 -0.008 0.000 0.781 112 A CB 0.797 19.753 19.000 -0.074 0.000 1.020 112 A HN 0.363 nan 8.150 nan 0.000 0.494 113 S N 0.239 115.929 115.700 -0.016 0.000 2.526 113 S HA 0.526 4.996 4.470 0.000 0.000 0.293 113 S C -0.855 173.787 174.600 0.071 0.000 1.092 113 S CA -0.547 57.632 58.200 -0.034 0.000 0.980 113 S CB 0.345 63.502 63.200 -0.070 0.000 1.048 113 S HN 0.575 nan 8.310 nan 0.000 0.483 114 W N 4.027 125.309 121.300 -0.029 0.000 2.187 114 W HA 0.390 5.050 4.660 0.000 0.000 0.348 114 W C 0.165 176.775 176.519 0.152 0.000 1.282 114 W CA 0.548 57.908 57.345 0.026 0.000 1.271 114 W CB 0.403 29.839 29.460 -0.039 0.000 1.170 114 W HN 0.594 nan 8.180 nan 0.000 0.583 115 F N 0.468 120.527 119.950 0.182 0.000 2.831 115 F HA 0.862 5.389 4.527 0.000 0.000 0.318 115 F C -1.272 174.580 175.800 0.088 0.000 1.174 115 F CA -1.929 56.147 58.000 0.126 0.000 0.918 115 F CB 0.538 39.563 39.000 0.042 0.000 1.364 115 F HN 0.441 nan 8.300 nan 0.000 0.475 116 A N 0.036 122.727 122.820 -0.216 0.000 2.539 116 A HA 0.564 4.884 4.320 0.000 0.000 0.296 116 A C -0.217 177.249 177.584 -0.198 0.000 1.073 116 A CA -0.685 51.094 52.037 -0.431 0.000 0.700 116 A CB 0.679 19.620 19.000 -0.099 0.000 1.296 116 A HN 0.978 nan 8.150 nan 0.000 0.405 117 H N 0.915 119.932 119.070 -0.088 0.000 2.456 117 H HA -0.048 4.509 4.556 0.001 0.000 0.296 117 H C 0.950 176.360 175.328 0.137 0.000 1.079 117 H CA 1.743 57.854 56.048 0.105 0.000 1.322 117 H CB 0.209 30.007 29.762 0.060 0.000 1.388 117 H HN 0.671 nan 8.280 nan 0.000 0.538 118 K N 0.298 120.809 120.400 0.186 0.000 2.515 118 K HA -0.016 4.305 4.320 0.000 0.000 0.196 118 K C 1.620 178.290 176.600 0.117 0.000 1.038 118 K CA 0.676 57.045 56.287 0.135 0.000 0.967 118 K CB 0.260 32.816 32.500 0.094 0.000 0.780 118 K HN 0.184 nan 8.250 nan 0.000 0.483 119 G N 0.980 109.872 108.800 0.153 0.000 3.575 119 G HA2 -0.015 3.945 3.960 0.000 0.000 0.273 119 G HA3 -0.015 3.945 3.960 0.000 0.000 0.273 119 G C -0.425 174.587 174.900 0.186 0.000 1.053 119 G CA -0.223 44.979 45.100 0.169 0.000 0.803 119 G HN 0.153 nan 8.290 nan 0.000 0.528 120 E N 0.301 120.602 120.200 0.169 0.000 2.266 120 E HA 0.550 4.900 4.350 0.000 0.000 0.268 120 E C -1.700 174.901 176.600 0.002 0.000 0.879 120 E CA -0.571 55.881 56.400 0.087 0.000 0.762 120 E CB 2.746 32.620 29.700 0.290 0.000 1.199 120 E HN -0.119 nan 8.360 nan 0.000 0.422 121 V N 2.650 122.445 119.914 -0.198 0.000 2.447 121 V HA 0.594 4.714 4.120 0.000 0.000 0.292 121 V C -0.624 175.309 176.094 -0.268 0.000 1.021 121 V CA -0.599 61.619 62.300 -0.137 0.000 0.850 121 V CB 1.252 33.053 31.823 -0.037 0.000 1.005 121 V HN 0.740 nan 8.190 nan 0.000 0.426 122 A N 3.844 126.610 122.820 -0.090 0.000 2.273 122 A HA 0.898 5.218 4.320 0.000 0.000 0.315 122 A C 0.127 177.640 177.584 -0.118 0.000 1.256 122 A CA -0.232 51.803 52.037 -0.003 0.000 0.851 122 A CB 1.114 20.214 19.000 0.166 0.000 1.172 122 A HN 0.929 nan 8.150 nan 0.000 0.508 123 T N -0.161 114.252 114.554 -0.235 0.000 2.901 123 T HA 0.670 5.020 4.350 0.000 0.000 0.293 123 T C -2.521 171.877 174.700 -0.504 0.000 1.084 123 T CA -1.779 60.054 62.100 -0.445 0.000 1.008 123 T CB 1.757 70.174 68.868 -0.751 0.000 1.170 123 T HN 0.100 nan 8.240 nan 0.000 0.509 124 P HA -0.034 nan 4.420 nan 0.000 0.218 124 P C 0.798 177.995 177.300 -0.171 0.000 1.148 124 P CA 1.146 63.886 63.100 -0.599 0.000 0.822 124 P CB -0.275 30.637 31.700 -1.313 0.000 0.784 125 Y N -4.519 115.754 120.300 -0.044 0.000 2.467 125 Y HA 0.457 5.007 4.550 0.000 0.000 0.250 125 Y C 0.178 176.171 175.900 0.156 0.000 1.155 125 Y CA -1.115 57.066 58.100 0.134 0.000 1.249 125 Y CB -0.249 38.319 38.460 0.181 0.000 1.146 125 Y HN -0.151 nan 8.280 nan 0.000 0.524 126 Y N 0.546 120.560 120.300 -0.476 0.000 2.436 126 Y HA 0.490 5.040 4.550 0.000 0.000 0.327 126 Y C -2.404 173.368 175.900 -0.213 0.000 1.138 126 Y CA -2.327 55.590 58.100 -0.306 0.000 1.042 126 Y CB 1.208 39.467 38.460 -0.335 0.000 1.302 126 Y HN 0.046 nan 8.280 nan 0.000 0.439 127 Y N 6.201 125.987 120.300 -0.857 0.000 2.421 127 Y HA 0.618 5.168 4.550 0.000 0.000 0.339 127 Y C -1.522 173.922 175.900 -0.759 0.000 0.996 127 Y CA -0.843 56.872 58.100 -0.642 0.000 1.046 127 Y CB 1.492 39.762 38.460 -0.317 0.000 1.226 127 Y HN 0.696 nan 8.280 nan 0.000 0.445 128 K N 5.290 125.013 120.400 -1.128 0.000 2.422 128 K HA 0.822 5.142 4.320 0.000 0.000 0.251 128 K C -2.364 173.890 176.600 -0.576 0.000 0.933 128 K CA -0.883 55.001 56.287 -0.673 0.000 0.798 128 K CB 2.312 34.588 32.500 -0.374 0.000 1.238 128 K HN 0.558 nan 8.250 nan 0.000 0.428 129 V N 4.066 123.872 119.914 -0.180 0.000 3.077 129 V HA 0.385 4.506 4.120 0.000 0.000 0.299 129 V C -2.156 174.049 176.094 0.186 0.000 1.276 129 V CA -0.724 61.591 62.300 0.025 0.000 0.993 129 V CB 1.817 33.710 31.823 0.116 0.000 1.076 129 V HN 0.808 nan 8.190 nan 0.000 0.434 130 Y N 6.173 126.544 120.300 0.118 0.000 2.341 130 Y HA 0.658 5.208 4.550 0.000 0.000 0.340 130 Y C -0.402 175.610 175.900 0.188 0.000 0.997 130 Y CA -0.694 57.485 58.100 0.132 0.000 1.149 130 Y CB 1.280 39.804 38.460 0.106 0.000 1.171 130 Y HN 0.613 nan 8.280 nan 0.000 0.494 131 L N 7.757 128.765 121.223 -0.359 0.000 2.282 131 L HA 0.351 4.691 4.340 0.000 0.000 0.287 131 L C 1.171 177.737 176.870 -0.507 0.000 1.075 131 L CA -0.167 54.542 54.840 -0.219 0.000 0.839 131 L CB 0.859 42.921 42.059 0.006 0.000 1.219 131 L HN 0.928 nan 8.230 nan 0.000 0.434 132 A N 2.546 125.214 122.820 -0.255 0.000 2.015 132 A HA -0.099 4.221 4.320 0.000 0.000 0.219 132 A C 1.883 179.396 177.584 -0.118 0.000 1.163 132 A CA 1.124 53.068 52.037 -0.155 0.000 0.646 132 A CB -0.125 18.960 19.000 0.141 0.000 0.806 132 A HN 0.804 nan 8.150 nan 0.000 0.448 133 E N -1.335 118.764 120.200 -0.168 0.000 2.478 133 E HA -0.031 4.319 4.350 0.000 0.000 0.194 133 E C 0.785 177.181 176.600 -0.341 0.000 1.045 133 E CA 0.343 56.597 56.400 -0.243 0.000 0.868 133 E CB 0.049 29.587 29.700 -0.270 0.000 0.885 133 E HN 0.705 nan 8.360 nan 0.000 0.505 134 H N -0.525 118.516 119.070 -0.048 0.000 3.046 134 H HA 0.045 4.601 4.556 0.000 0.000 0.262 134 H C 0.061 175.367 175.328 -0.036 0.000 1.044 134 H CA 0.330 56.364 56.048 -0.022 0.000 1.209 134 H CB 0.668 30.416 29.762 -0.025 0.000 1.507 134 H HN 0.057 nan 8.280 nan 0.000 0.507 135 D N 0.890 121.257 120.400 -0.055 0.000 2.699 135 D HA -0.173 4.467 4.640 0.000 0.000 0.239 135 D C -0.708 175.609 176.300 0.030 0.000 1.136 135 D CA 0.303 54.307 54.000 0.008 0.000 0.668 135 D CB -1.637 39.263 40.800 0.166 0.000 1.060 135 D HN 0.402 nan 8.370 nan 0.000 0.429 136 I N -0.128 120.354 120.570 -0.146 0.000 2.545 136 I HA 0.379 4.549 4.170 0.000 0.000 0.292 136 I C 0.224 176.317 176.117 -0.040 0.000 1.040 136 I CA -1.265 59.977 61.300 -0.096 0.000 1.068 136 I CB 2.173 40.056 38.000 -0.196 0.000 1.251 136 I HN -0.218 nan 8.210 nan 0.000 0.424 137 V N 4.663 124.624 119.914 0.079 0.000 2.394 137 V HA 0.369 4.489 4.120 0.000 0.000 0.282 137 V C 0.095 176.234 176.094 0.076 0.000 1.031 137 V CA -0.259 62.125 62.300 0.139 0.000 0.881 137 V CB 1.597 33.525 31.823 0.176 0.000 0.982 137 V HN 0.731 nan 8.190 nan 0.000 0.451 138 T N 5.461 120.053 114.554 0.064 0.000 2.824 138 T HA 0.570 4.920 4.350 0.000 0.000 0.280 138 T C -0.535 174.065 174.700 -0.167 0.000 0.995 138 T CA -0.583 61.497 62.100 -0.032 0.000 1.009 138 T CB 1.078 69.840 68.868 -0.177 0.000 0.955 138 T HN 0.778 nan 8.240 nan 0.000 0.452 139 E N 3.038 123.078 120.200 -0.268 0.000 2.293 139 E HA 0.644 4.994 4.350 0.000 0.000 0.270 139 E C -0.640 175.650 176.600 -0.518 0.000 0.879 139 E CA -0.933 55.247 56.400 -0.366 0.000 0.756 139 E CB 2.379 31.949 29.700 -0.217 0.000 1.208 139 E HN 0.620 nan 8.360 nan 0.000 0.428 140 M N -0.317 118.918 119.600 -0.608 0.000 2.446 140 M HA 0.633 5.113 4.480 0.000 0.000 0.294 140 M C -1.125 174.882 176.300 -0.489 0.000 1.158 140 M CA -0.765 54.041 55.300 -0.822 0.000 0.899 140 M CB 2.216 34.004 32.600 -1.354 0.000 1.687 140 M HN 0.426 nan 8.290 nan 0.000 0.455 141 T N 0.396 114.713 114.554 -0.395 0.000 2.881 141 T HA 0.839 5.190 4.350 0.000 0.000 0.290 141 T C -3.132 171.453 174.700 -0.192 0.000 1.000 141 T CA -1.391 60.620 62.100 -0.148 0.000 0.978 141 T CB 2.038 70.911 68.868 0.008 0.000 0.997 141 T HN 0.618 nan 8.240 nan 0.000 0.443 142 P HA 0.547 nan 4.420 nan 0.000 0.289 142 P C -0.404 176.944 177.300 0.079 0.000 1.302 142 P CA -0.458 62.627 63.100 -0.024 0.000 0.923 142 P CB 2.212 33.962 31.700 0.084 0.000 1.238 143 T N -3.233 111.380 114.554 0.099 0.000 2.819 143 T HA 0.336 4.686 4.350 0.000 0.000 0.271 143 T C 1.204 175.998 174.700 0.156 0.000 0.986 143 T CA -0.400 61.768 62.100 0.114 0.000 0.989 143 T CB 0.383 69.305 68.868 0.090 0.000 1.396 143 T HN 0.311 nan 8.240 nan 0.000 0.597 144 E N 0.108 120.388 120.200 0.134 0.000 2.110 144 E HA -0.083 4.268 4.350 0.000 0.000 0.193 144 E C 1.991 178.695 176.600 0.173 0.000 0.988 144 E CA 1.058 57.546 56.400 0.146 0.000 0.804 144 E CB -0.002 29.756 29.700 0.096 0.000 0.745 144 E HN 0.465 nan 8.360 nan 0.000 0.458 145 R N -1.276 119.322 120.500 0.163 0.000 2.521 145 R HA 0.324 4.664 4.340 0.000 0.000 0.289 145 R C -0.084 176.358 176.300 0.238 0.000 0.936 145 R CA 0.017 56.228 56.100 0.184 0.000 1.089 145 R CB 1.517 31.893 30.300 0.126 0.000 1.348 145 R HN -0.046 nan 8.270 nan 0.000 0.536 146 A N 0.253 123.199 122.820 0.210 0.000 2.437 146 A HA 0.827 5.147 4.320 0.000 0.000 0.292 146 A C -1.357 176.290 177.584 0.105 0.000 1.173 146 A CA -0.636 51.518 52.037 0.195 0.000 0.785 146 A CB 2.058 21.136 19.000 0.130 0.000 1.351 146 A HN -0.057 nan 8.150 nan 0.000 0.431 147 V N -0.399 119.493 119.914 -0.037 0.000 3.120 147 V HA 0.635 4.756 4.120 0.000 0.000 0.303 147 V C -2.040 173.889 176.094 -0.274 0.000 1.238 147 V CA -0.539 61.582 62.300 -0.299 0.000 1.008 147 V CB 2.067 33.370 31.823 -0.866 0.000 1.064 147 V HN 1.130 nan 8.190 nan 0.000 0.434 148 L N 4.731 125.753 121.223 -0.336 0.000 2.313 148 L HA 0.725 5.065 4.340 0.000 0.000 0.283 148 L C -1.288 175.305 176.870 -0.462 0.000 1.013 148 L CA 0.170 54.855 54.840 -0.259 0.000 0.816 148 L CB 1.352 43.318 42.059 -0.156 0.000 1.236 148 L HN 0.546 nan 8.230 nan 0.000 0.419 149 F N 4.109 123.814 119.950 -0.408 0.000 2.422 149 F HA 0.617 5.144 4.527 0.000 0.000 0.333 149 F C 0.279 175.714 175.800 -0.609 0.000 1.095 149 F CA -0.377 57.251 58.000 -0.621 0.000 1.038 149 F CB 1.482 39.973 39.000 -0.848 0.000 1.156 149 F HN 0.389 nan 8.300 nan 0.000 0.483 150 R N 3.725 123.949 120.500 -0.461 0.000 2.451 150 R HA 0.487 4.827 4.340 0.000 0.000 0.307 150 R C -1.946 174.131 176.300 -0.371 0.000 0.965 150 R CA -0.468 55.440 56.100 -0.321 0.000 0.865 150 R CB 0.682 30.905 30.300 -0.128 0.000 1.174 150 R HN 0.563 nan 8.270 nan 0.000 0.455 151 F N 2.360 122.360 119.950 0.084 0.000 2.404 151 F HA 0.304 4.832 4.527 0.000 0.000 0.354 151 F C 0.412 176.194 175.800 -0.030 0.000 1.122 151 F CA -0.757 57.213 58.000 -0.050 0.000 1.080 151 F CB 2.274 41.225 39.000 -0.082 0.000 1.131 151 F HN 0.279 nan 8.300 nan 0.000 0.471 152 T N 4.778 119.377 114.554 0.076 0.000 2.762 152 T HA 0.359 4.709 4.350 0.000 0.000 0.303 152 T C -0.387 174.336 174.700 0.038 0.000 0.977 152 T CA -0.287 61.875 62.100 0.104 0.000 0.961 152 T CB -0.108 68.821 68.868 0.101 0.000 0.944 152 T HN 0.177 nan 8.240 nan 0.000 0.481 153 F N 5.302 125.339 119.950 0.145 0.000 2.378 153 F HA 0.450 4.977 4.527 0.001 0.000 0.325 153 F C -1.526 174.335 175.800 0.101 0.000 1.097 153 F CA -2.059 56.015 58.000 0.123 0.000 1.079 153 F CB 1.032 40.095 39.000 0.106 0.000 1.240 153 F HN 0.335 nan 8.300 nan 0.000 0.519 154 P HA 0.091 nan 4.420 nan 0.000 0.284 154 P C -1.348 176.056 177.300 0.173 0.000 1.292 154 P CA -0.603 62.620 63.100 0.205 0.000 0.800 154 P CB 0.576 32.388 31.700 0.187 0.000 1.188 155 E N 1.050 121.316 120.200 0.111 0.000 2.265 155 E HA 0.133 4.484 4.350 0.000 0.000 0.272 155 E C -0.576 176.056 176.600 0.053 0.000 1.067 155 E CA -0.161 56.278 56.400 0.065 0.000 0.900 155 E CB -0.212 29.514 29.700 0.044 0.000 1.017 155 E HN 0.249 nan 8.360 nan 0.000 0.431 156 N N 3.563 122.272 118.700 0.015 0.000 2.504 156 N HA 0.068 4.808 4.740 0.000 0.000 0.268 156 N C -0.907 174.527 175.510 -0.127 0.000 1.184 156 N CA -0.500 52.540 53.050 -0.016 0.000 0.875 156 N CB 1.851 40.364 38.487 0.044 0.000 1.630 156 N HN 0.432 nan 8.380 nan 0.000 0.486 157 D N -0.279 119.982 120.400 -0.232 0.000 2.347 157 D HA 0.039 4.679 4.640 0.000 0.000 0.213 157 D C -0.351 175.494 176.300 -0.758 0.000 0.985 157 D CA 1.158 54.870 54.000 -0.480 0.000 0.879 157 D CB 0.176 40.621 40.800 -0.591 0.000 0.919 157 D HN 0.374 nan 8.370 nan 0.000 0.526 158 H N -0.120 118.840 119.070 -0.184 0.000 2.569 158 H HA 0.367 4.923 4.556 0.000 0.000 0.247 158 H C -0.509 174.495 175.328 -0.539 0.000 1.346 158 H CA -0.277 55.520 56.048 -0.418 0.000 1.502 158 H CB 0.362 30.034 29.762 -0.150 0.000 1.512 158 H HN -0.212 nan 8.280 nan 0.000 0.502 159 S N 2.234 117.583 115.700 -0.584 0.000 2.475 159 S HA 0.570 5.040 4.470 0.000 0.000 0.298 159 S C -0.557 173.511 174.600 -0.888 0.000 1.119 159 S CA -0.528 57.377 58.200 -0.490 0.000 1.085 159 S CB 1.048 63.901 63.200 -0.578 0.000 1.028 159 S HN 0.346 nan 8.310 nan 0.000 0.489 160 Y N 0.057 120.205 120.300 -0.253 0.000 2.634 160 Y HA 0.687 5.237 4.550 0.000 0.000 0.340 160 Y C -0.334 175.421 175.900 -0.241 0.000 1.058 160 Y CA -1.163 56.701 58.100 -0.394 0.000 1.081 160 Y CB 1.302 39.562 38.460 -0.332 0.000 1.295 160 Y HN 0.315 nan 8.280 nan 0.000 0.487 161 V N 2.180 122.011 119.914 -0.138 0.000 2.531 161 V HA 0.453 4.573 4.120 0.000 0.000 0.301 161 V C -0.878 175.189 176.094 -0.045 0.000 1.034 161 V CA -0.911 61.330 62.300 -0.099 0.000 0.865 161 V CB 1.726 33.523 31.823 -0.044 0.000 0.995 161 V HN 0.528 nan 8.190 nan 0.000 0.424 162 V N 5.447 125.347 119.914 -0.022 0.000 2.439 162 V HA 0.495 4.616 4.120 0.000 0.000 0.282 162 V C -0.126 176.036 176.094 0.114 0.000 1.039 162 V CA -0.495 61.831 62.300 0.042 0.000 0.913 162 V CB 1.841 33.650 31.823 -0.023 0.000 0.983 162 V HN 0.594 nan 8.190 nan 0.000 0.460 163 V N 3.777 123.813 119.914 0.204 0.000 2.448 163 V HA 0.449 4.569 4.120 0.000 0.000 0.295 163 V C -0.640 175.675 176.094 0.369 0.000 1.025 163 V CA -0.466 61.989 62.300 0.259 0.000 0.859 163 V CB 1.909 33.892 31.823 0.267 0.000 0.988 163 V HN 0.904 nan 8.190 nan 0.000 0.431 164 D N 3.750 124.378 120.400 0.380 0.000 2.425 164 D HA 0.553 5.194 4.640 0.000 0.000 0.240 164 D C 0.494 177.157 176.300 0.604 0.000 1.080 164 D CA -0.305 54.013 54.000 0.530 0.000 0.836 164 D CB 2.251 43.248 40.800 0.330 0.000 1.125 164 D HN 0.546 nan 8.370 nan 0.000 0.525 165 A N 3.720 126.899 122.820 0.598 0.000 2.251 165 A HA 0.303 4.623 4.320 0.000 0.000 0.209 165 A C 0.356 178.282 177.584 0.571 0.000 1.187 165 A CA 0.058 52.409 52.037 0.523 0.000 0.823 165 A CB -0.422 18.825 19.000 0.411 0.000 0.846 165 A HN 0.569 nan 8.150 nan 0.000 0.486 166 F N -0.897 119.158 119.950 0.175 0.000 2.183 166 F HA -0.171 4.356 4.527 0.000 0.000 0.318 166 F C 0.439 175.981 175.800 -0.428 0.000 0.517 166 F CA 0.403 58.303 58.000 -0.167 0.000 0.912 166 F CB -0.922 38.081 39.000 0.005 0.000 4.135 166 F HN 0.537 nan 8.300 nan 0.000 0.137 167 D N 0.149 120.341 120.400 -0.347 0.000 2.541 167 D HA 0.456 5.096 4.640 0.000 0.000 0.276 167 D C 0.095 176.420 176.300 0.042 0.000 1.190 167 D CA 0.126 53.998 54.000 -0.213 0.000 1.095 167 D CB 0.342 41.018 40.800 -0.207 0.000 1.173 167 D HN 0.446 nan 8.370 nan 0.000 0.604 168 K N -1.379 119.061 120.400 0.067 0.000 3.281 168 K HA -0.017 4.303 4.320 0.000 0.000 0.295 168 K C 0.331 177.012 176.600 0.136 0.000 1.233 168 K CA 1.089 57.438 56.287 0.104 0.000 0.866 168 K CB -2.243 30.328 32.500 0.118 0.000 1.265 168 K HN 1.404 nan 8.250 nan 0.000 0.482 169 G N -0.054 108.830 108.800 0.140 0.000 3.251 169 G HA2 0.045 4.005 3.960 0.000 0.000 0.680 169 G HA3 0.045 4.005 3.960 0.000 0.000 0.680 169 G C -0.223 174.805 174.900 0.212 0.000 1.129 169 G CA 0.122 45.323 45.100 0.168 0.000 0.994 169 G HN 0.942 nan 8.290 nan 0.000 0.450 170 S N 1.128 116.921 115.700 0.155 0.000 2.794 170 S HA 0.910 5.380 4.470 0.000 0.000 0.299 170 S C -0.937 173.572 174.600 -0.153 0.000 1.179 170 S CA -0.825 57.413 58.200 0.063 0.000 0.838 170 S CB 2.765 66.053 63.200 0.146 0.000 1.206 170 S HN 2.084 nan 8.310 nan 0.000 0.523 171 Y N -0.274 119.660 120.300 -0.611 0.000 2.513 171 Y HA 0.804 5.354 4.550 0.000 0.000 0.340 171 Y C -2.007 173.673 175.900 -0.366 0.000 1.055 171 Y CA -0.973 56.756 58.100 -0.619 0.000 1.020 171 Y CB 1.351 39.104 38.460 -1.179 0.000 1.301 171 Y HN 0.961 nan 8.280 nan 0.000 0.453 172 I N 5.088 125.033 120.570 -1.041 0.000 2.802 172 I HA 0.588 4.758 4.170 0.000 0.000 0.298 172 I C -1.862 173.742 176.117 -0.855 0.000 1.176 172 I CA -0.542 60.321 61.300 -0.729 0.000 1.025 172 I CB 2.169 40.005 38.000 -0.274 0.000 1.243 172 I HN 0.677 nan 8.210 nan 0.000 0.424 173 K N 7.231 127.314 120.400 -0.528 0.000 2.550 173 K HA 0.570 4.890 4.320 0.000 0.000 0.252 173 K C -2.006 174.513 176.600 -0.136 0.000 0.943 173 K CA -0.513 55.580 56.287 -0.325 0.000 0.806 173 K CB 1.418 33.745 32.500 -0.288 0.000 1.289 173 K HN 0.578 nan 8.250 nan 0.000 0.435 174 I N 5.101 125.628 120.570 -0.072 0.000 2.336 174 I HA 0.311 4.481 4.170 0.000 0.000 0.292 174 I C -0.352 175.806 176.117 0.068 0.000 0.991 174 I CA -0.970 60.346 61.300 0.026 0.000 1.227 174 I CB 1.285 39.286 38.000 0.001 0.000 1.366 174 I HN 0.485 nan 8.210 nan 0.000 0.466 175 I N 8.994 129.647 120.570 0.138 0.000 2.503 175 I HA 0.253 4.423 4.170 0.000 0.000 0.277 175 I C -1.748 174.461 176.117 0.152 0.000 1.078 175 I CA -1.463 59.900 61.300 0.105 0.000 1.184 175 I CB 0.994 39.030 38.000 0.060 0.000 1.353 175 I HN 0.337 nan 8.210 nan 0.000 0.490 176 P HA -0.177 nan 4.420 nan 0.000 0.215 176 P C 0.870 178.138 177.300 -0.053 0.000 1.153 176 P CA 1.299 64.448 63.100 0.083 0.000 0.853 176 P CB 0.155 31.912 31.700 0.096 0.000 0.788 177 E N -0.207 119.984 120.200 -0.015 0.000 2.515 177 E HA -0.127 4.223 4.350 0.000 0.000 0.201 177 E C 0.857 177.437 176.600 -0.033 0.000 1.071 177 E CA 0.824 57.206 56.400 -0.030 0.000 0.880 177 E CB -0.761 28.931 29.700 -0.013 0.000 0.828 177 E HN 0.493 nan 8.360 nan 0.000 0.540 178 E N 0.049 120.233 120.200 -0.026 0.000 2.759 178 E HA 0.144 4.494 4.350 0.000 0.000 0.220 178 E C -0.499 176.096 176.600 -0.008 0.000 0.974 178 E CA -0.376 56.019 56.400 -0.007 0.000 1.148 178 E CB 0.319 30.033 29.700 0.023 0.000 1.059 178 E HN 0.028 nan 8.360 nan 0.000 0.493 179 N N 2.272 120.892 118.700 -0.134 0.000 2.716 179 N HA -0.211 4.530 4.740 0.000 0.000 0.250 179 N C -0.682 175.003 175.510 0.291 0.000 1.033 179 N CA 1.247 54.136 53.050 -0.268 0.000 0.727 179 N CB -0.878 37.523 38.487 -0.143 0.000 0.950 179 N HN 0.307 nan 8.380 nan 0.000 0.541 180 K N 0.312 120.945 120.400 0.389 0.000 2.422 180 K HA 0.642 4.962 4.320 0.000 0.000 0.251 180 K C -0.886 175.959 176.600 0.408 0.000 0.933 180 K CA -0.647 55.870 56.287 0.383 0.000 0.798 180 K CB 1.455 34.063 32.500 0.180 0.000 1.238 180 K HN 0.078 nan 8.250 nan 0.000 0.428 181 I N 6.037 126.818 120.570 0.351 0.000 2.465 181 I HA 0.407 4.577 4.170 0.000 0.000 0.291 181 I C -0.183 176.037 176.117 0.171 0.000 1.014 181 I CA -1.024 60.422 61.300 0.243 0.000 1.093 181 I CB 1.698 39.879 38.000 0.301 0.000 1.267 181 I HN 0.619 nan 8.210 nan 0.000 0.431 182 I N 2.409 122.990 120.570 0.019 0.000 2.957 182 I HA 1.075 5.245 4.170 0.000 0.000 0.310 182 I C -0.157 175.775 176.117 -0.307 0.000 1.063 182 I CA -0.447 60.791 61.300 -0.104 0.000 1.033 182 I CB 2.428 40.269 38.000 -0.265 0.000 1.230 182 I HN 0.630 nan 8.210 nan 0.000 0.447 183 G N 1.908 110.337 108.800 -0.618 0.000 2.349 183 G HA2 0.492 4.452 3.960 0.000 0.000 0.294 183 G HA3 0.492 4.452 3.960 0.000 0.000 0.294 183 G C -2.203 172.186 174.900 -0.853 0.000 1.380 183 G CA -0.525 44.148 45.100 -0.711 0.000 0.811 183 G HN 1.104 nan 8.290 nan 0.000 0.519 184 Y N -1.460 118.644 120.300 -0.327 0.000 2.524 184 Y HA 0.865 5.415 4.550 0.000 0.000 0.347 184 Y C -0.304 175.589 175.900 -0.012 0.000 1.005 184 Y CA -1.214 56.688 58.100 -0.329 0.000 1.025 184 Y CB 1.813 39.995 38.460 -0.463 0.000 1.275 184 Y HN 0.765 nan 8.280 nan 0.000 0.460 185 T N 0.452 115.179 114.554 0.288 0.000 2.912 185 T HA 0.534 4.884 4.350 0.000 0.000 0.288 185 T C 0.393 175.228 174.700 0.225 0.000 1.030 185 T CA 0.188 62.470 62.100 0.303 0.000 1.020 185 T CB 1.314 70.366 68.868 0.308 0.000 1.056 185 T HN 1.180 nan 8.240 nan 0.000 0.480 186 T N 0.799 115.527 114.554 0.290 0.000 3.009 186 T HA 0.287 4.638 4.350 0.000 0.000 0.267 186 T C 0.736 175.693 174.700 0.427 0.000 0.942 186 T CA -0.391 61.917 62.100 0.347 0.000 0.883 186 T CB -0.151 68.882 68.868 0.275 0.000 1.192 186 T HN 0.649 nan 8.240 nan 0.000 0.524 187 R N 3.156 123.849 120.500 0.321 0.000 2.494 187 R HA 0.100 4.440 4.340 0.000 0.000 0.291 187 R C -0.280 176.181 176.300 0.268 0.000 0.953 187 R CA 0.839 57.099 56.100 0.266 0.000 1.098 187 R CB 0.090 30.554 30.300 0.274 0.000 0.911 187 R HN 0.738 nan 8.270 nan 0.000 0.407 188 N N 1.300 120.104 118.700 0.174 0.000 3.204 188 N HA 0.126 4.866 4.740 0.000 0.000 0.285 188 N C -1.134 174.403 175.510 0.046 0.000 1.536 188 N CA -0.887 52.222 53.050 0.098 0.000 0.832 188 N CB 1.635 40.063 38.487 -0.097 0.000 1.645 188 N HN 0.349 nan 8.380 nan 0.000 0.586 189 S N -1.227 114.475 115.700 0.004 0.000 2.664 189 S HA 0.538 5.008 4.470 0.000 0.000 0.245 189 S C 0.461 175.023 174.600 -0.064 0.000 1.019 189 S CA 0.113 58.307 58.200 -0.010 0.000 0.996 189 S CB -0.271 62.933 63.200 0.007 0.000 0.878 189 S HN 1.124 nan 8.310 nan 0.000 0.493 190 G N 0.358 109.094 108.800 -0.107 0.000 2.525 190 G HA2 0.370 4.330 3.960 0.000 0.000 0.685 190 G HA3 0.370 4.330 3.960 0.000 0.000 0.685 190 G C 0.322 175.092 174.900 -0.218 0.000 1.290 190 G CA -0.380 44.642 45.100 -0.129 0.000 0.915 190 G HN 1.160 nan 8.290 nan 0.000 0.548 191 G N -2.270 106.415 108.800 -0.192 0.000 2.273 191 G HA2 0.294 4.254 3.960 0.000 0.000 0.280 191 G HA3 0.294 4.254 3.960 0.000 0.000 0.280 191 G C 0.764 175.444 174.900 -0.368 0.000 1.047 191 G CA 1.453 46.404 45.100 -0.250 0.000 0.869 191 G HN 2.444 nan 8.290 nan 0.000 0.502 192 V N -3.504 116.230 119.914 -0.299 0.000 2.876 192 V HA 0.932 5.052 4.120 0.000 0.000 0.312 192 V C -2.027 174.016 176.094 -0.084 0.000 1.085 192 V CA -2.699 59.424 62.300 -0.294 0.000 0.945 192 V CB 1.997 33.523 31.823 -0.496 0.000 1.017 192 V HN 0.090 nan 8.190 nan 0.000 0.428 193 P HA 0.315 nan 4.420 nan 0.000 0.274 193 P C 0.611 178.004 177.300 0.155 0.000 1.237 193 P CA -0.181 62.975 63.100 0.093 0.000 0.793 193 P CB 0.849 32.621 31.700 0.120 0.000 0.977 194 E N 2.080 122.350 120.200 0.116 0.000 2.130 194 E HA -0.252 4.098 4.350 0.000 0.000 0.196 194 E C 1.078 177.757 176.600 0.132 0.000 0.998 194 E CA 1.781 58.246 56.400 0.109 0.000 0.806 194 E CB -0.517 29.230 29.700 0.078 0.000 0.738 194 E HN 0.441 nan 8.360 nan 0.000 0.459 195 N N 0.236 119.031 118.700 0.158 0.000 2.370 195 N HA -0.074 4.666 4.740 0.000 0.000 0.198 195 N C -0.198 175.362 175.510 0.083 0.000 1.156 195 N CA -0.277 52.837 53.050 0.108 0.000 0.839 195 N CB -0.805 37.749 38.487 0.112 0.000 0.989 195 N HN 0.140 nan 8.380 nan 0.000 0.468 196 F N 2.151 122.125 119.950 0.040 0.000 2.608 196 F HA 0.214 4.742 4.527 0.000 0.000 0.380 196 F C 0.067 175.753 175.800 -0.190 0.000 1.083 196 F CA 0.194 58.182 58.000 -0.020 0.000 1.266 196 F CB 0.427 39.476 39.000 0.080 0.000 1.076 196 F HN -0.078 nan 8.300 nan 0.000 0.574 197 K N 5.005 124.625 120.400 -1.300 0.000 2.546 197 K HA 0.186 4.507 4.320 0.000 0.000 0.264 197 K C -1.444 174.350 176.600 -1.342 0.000 0.937 197 K CA -1.025 54.465 56.287 -1.329 0.000 0.833 197 K CB 1.931 33.544 32.500 -1.478 0.000 1.378 197 K HN 0.670 nan 8.250 nan 0.000 0.432 198 N N 2.638 120.763 118.700 -0.958 0.000 2.446 198 N HA 0.244 4.985 4.740 0.000 0.000 0.265 198 N C -1.399 173.762 175.510 -0.581 0.000 0.975 198 N CA -0.366 52.263 53.050 -0.702 0.000 0.928 198 N CB 0.652 38.937 38.487 -0.337 0.000 1.160 198 N HN 0.388 nan 8.380 nan 0.000 0.495 199 Y N 3.878 123.915 120.300 -0.438 0.000 2.327 199 Y HA 0.303 4.853 4.550 0.000 0.000 0.336 199 Y C 0.060 175.832 175.900 -0.213 0.000 1.035 199 Y CA -0.712 57.075 58.100 -0.523 0.000 1.165 199 Y CB 0.421 38.346 38.460 -0.892 0.000 1.181 199 Y HN 0.318 nan 8.280 nan 0.000 0.494 200 F N 1.435 121.407 119.950 0.035 0.000 2.577 200 F HA 0.900 5.427 4.527 0.000 0.000 0.318 200 F C -1.405 174.498 175.800 0.172 0.000 1.065 200 F CA -2.023 55.983 58.000 0.010 0.000 0.929 200 F CB 1.174 39.908 39.000 -0.444 0.000 1.237 200 F HN 0.202 nan 8.300 nan 0.000 0.468 201 I N 3.302 124.115 120.570 0.405 0.000 2.582 201 I HA 0.509 4.679 4.170 0.000 0.000 0.292 201 I C -1.060 175.228 176.117 0.285 0.000 1.066 201 I CA -0.820 60.659 61.300 0.297 0.000 1.053 201 I CB 2.440 40.569 38.000 0.216 0.000 1.241 201 I HN 0.586 nan 8.210 nan 0.000 0.421 202 I N 4.879 125.581 120.570 0.220 0.000 2.468 202 I HA 0.333 4.503 4.170 0.000 0.000 0.285 202 I C -0.735 175.382 176.117 0.001 0.000 1.039 202 I CA -0.463 60.888 61.300 0.084 0.000 1.074 202 I CB 1.930 39.971 38.000 0.069 0.000 1.228 202 I HN 0.532 nan 8.210 nan 0.000 0.436 203 E N 5.807 125.966 120.200 -0.068 0.000 2.151 203 E HA 0.511 4.861 4.350 0.000 0.000 0.275 203 E C -1.349 175.200 176.600 -0.084 0.000 0.936 203 E CA -0.564 55.840 56.400 0.007 0.000 0.777 203 E CB 1.933 31.664 29.700 0.051 0.000 1.108 203 E HN 0.283 nan 8.360 nan 0.000 0.401 204 F N 1.689 121.788 119.950 0.249 0.000 2.425 204 F HA 0.146 4.673 4.527 0.000 0.000 0.331 204 F C 1.196 177.085 175.800 0.148 0.000 1.085 204 F CA -0.810 57.352 58.000 0.269 0.000 1.028 204 F CB 1.034 40.311 39.000 0.462 0.000 1.177 204 F HN 0.438 nan 8.300 nan 0.000 0.487 205 D N 0.775 121.363 120.400 0.314 0.000 2.460 205 D HA 0.050 4.691 4.640 0.000 0.000 0.229 205 D C -0.191 176.174 176.300 0.108 0.000 1.170 205 D CA 0.075 54.169 54.000 0.158 0.000 0.827 205 D CB 0.075 40.939 40.800 0.106 0.000 0.973 205 D HN 0.192 nan 8.370 nan 0.000 0.496 206 K N 0.993 121.483 120.400 0.151 0.000 2.553 206 K HA 0.357 4.677 4.320 0.000 0.000 0.250 206 K C -3.189 173.447 176.600 0.060 0.000 0.953 206 K CA -1.788 54.508 56.287 0.015 0.000 0.800 206 K CB 2.596 34.975 32.500 -0.202 0.000 1.243 206 K HN -0.149 nan 8.250 nan 0.000 0.435 207 P HA 0.158 nan 4.420 nan 0.000 0.271 207 P C -0.671 176.697 177.300 0.113 0.000 1.216 207 P CA -0.207 62.822 63.100 -0.117 0.000 0.776 207 P CB 0.158 31.814 31.700 -0.074 0.000 0.881 208 F N 0.538 120.556 119.950 0.114 0.000 2.467 208 F HA 0.169 4.696 4.527 0.000 0.000 0.362 208 F C 1.834 177.666 175.800 0.053 0.000 1.090 208 F CA -0.047 57.986 58.000 0.056 0.000 1.202 208 F CB -0.603 38.379 39.000 -0.030 0.000 1.113 208 F HN 0.215 nan 8.300 nan 0.000 0.541 209 T N 1.913 116.618 114.554 0.251 0.000 3.057 209 T HA -0.012 4.338 4.350 0.000 0.000 0.254 209 T C -0.660 174.148 174.700 0.179 0.000 1.094 209 T CA 0.742 62.941 62.100 0.165 0.000 1.088 209 T CB -0.287 68.661 68.868 0.133 0.000 0.934 209 T HN 0.475 nan 8.240 nan 0.000 0.497 210 Y N 2.326 122.639 120.300 0.022 0.000 2.492 210 Y HA 0.539 5.090 4.550 0.000 0.000 0.346 210 Y C -1.427 174.446 175.900 -0.045 0.000 0.997 210 Y CA -1.527 56.578 58.100 0.008 0.000 1.025 210 Y CB 1.172 39.660 38.460 0.047 0.000 1.263 210 Y HN -0.045 nan 8.280 nan 0.000 0.454 211 K N 4.293 124.321 120.400 -0.621 0.000 2.543 211 K HA 0.969 5.289 4.320 0.000 0.000 0.255 211 K C -2.133 174.107 176.600 -0.601 0.000 0.934 211 K CA -1.055 54.959 56.287 -0.454 0.000 0.810 211 K CB 2.189 34.570 32.500 -0.198 0.000 1.315 211 K HN 0.826 nan 8.250 nan 0.000 0.433 212 A N 1.171 123.771 122.820 -0.366 0.000 2.566 212 A HA 0.666 4.986 4.320 0.000 0.000 0.297 212 A C -0.755 176.727 177.584 -0.170 0.000 1.059 212 A CA -0.662 51.215 52.037 -0.266 0.000 0.691 212 A CB 1.608 20.481 19.000 -0.213 0.000 1.282 212 A HN 0.851 nan 8.150 nan 0.000 0.401 213 T N -1.183 113.271 114.554 -0.166 0.000 2.944 213 T HA 0.772 5.122 4.350 0.000 0.000 0.284 213 T C -0.341 174.233 174.700 -0.211 0.000 1.010 213 T CA -0.668 61.330 62.100 -0.171 0.000 1.025 213 T CB 1.362 70.132 68.868 -0.164 0.000 1.079 213 T HN 1.080 nan 8.240 nan 0.000 0.516 214 V N 1.542 121.280 119.914 -0.294 0.000 2.540 214 V HA 0.628 4.749 4.120 0.000 0.000 0.302 214 V C -0.329 175.540 176.094 -0.375 0.000 1.035 214 V CA -0.764 61.276 62.300 -0.433 0.000 0.873 214 V CB 1.541 32.826 31.823 -0.897 0.000 0.992 214 V HN 1.055 nan 8.190 nan 0.000 0.428 215 E N 4.843 124.866 120.200 -0.294 0.000 2.402 215 E HA 0.253 4.604 4.350 0.000 0.000 0.244 215 E C -0.302 176.199 176.600 -0.166 0.000 0.945 215 E CA -0.428 55.856 56.400 -0.193 0.000 0.774 215 E CB 0.647 30.272 29.700 -0.124 0.000 1.296 215 E HN 0.846 nan 8.360 nan 0.000 0.414 216 N N 3.315 121.914 118.700 -0.168 0.000 2.696 216 N HA -0.264 4.477 4.740 0.000 0.000 0.256 216 N C 0.685 176.115 175.510 -0.133 0.000 1.031 216 N CA 0.735 53.722 53.050 -0.106 0.000 0.730 216 N CB -0.929 37.539 38.487 -0.031 0.000 0.894 216 N HN 0.932 nan 8.380 nan 0.000 0.544 217 G N -0.641 108.021 108.800 -0.230 0.000 2.304 217 G HA2 -0.336 3.625 3.960 0.000 0.000 0.252 217 G HA3 -0.336 3.625 3.960 0.000 0.000 0.252 217 G C 0.114 174.925 174.900 -0.149 0.000 1.014 217 G CA 0.432 45.442 45.100 -0.150 0.000 0.619 217 G HN 0.513 nan 8.290 nan 0.000 0.525 218 N N 0.755 119.360 118.700 -0.158 0.000 2.458 218 N HA 0.495 5.236 4.740 0.000 0.000 0.270 218 N C -0.226 175.189 175.510 -0.158 0.000 1.102 218 N CA -0.362 52.611 53.050 -0.127 0.000 0.967 218 N CB 1.388 39.816 38.487 -0.099 0.000 1.078 218 N HN 0.247 nan 8.380 nan 0.000 0.471 219 L N 2.826 123.977 121.223 -0.119 0.000 2.290 219 L HA 0.224 4.564 4.340 0.000 0.000 0.284 219 L C -0.225 176.586 176.870 -0.098 0.000 1.078 219 L CA 0.076 54.849 54.840 -0.113 0.000 0.815 219 L CB 0.250 42.269 42.059 -0.067 0.000 1.162 219 L HN 0.447 nan 8.230 nan 0.000 0.435 220 Q N 4.732 124.463 119.800 -0.116 0.000 2.394 220 Q HA 0.268 4.608 4.340 0.000 0.000 0.261 220 Q C -0.735 175.186 176.000 -0.132 0.000 1.023 220 Q CA -0.448 55.291 55.803 -0.107 0.000 0.720 220 Q CB 1.746 30.421 28.738 -0.105 0.000 1.241 220 Q HN 0.575 nan 8.270 nan 0.000 0.483 221 E N 2.698 122.818 120.200 -0.134 0.000 2.376 221 E HA -0.043 4.307 4.350 0.000 0.000 0.266 221 E C -0.029 176.464 176.600 -0.179 0.000 1.009 221 E CA 0.176 56.447 56.400 -0.216 0.000 0.902 221 E CB 0.338 29.916 29.700 -0.204 0.000 0.972 221 E HN 0.489 nan 8.360 nan 0.000 0.439 222 N N 1.461 120.034 118.700 -0.211 0.000 2.863 222 N HA -0.176 4.564 4.740 0.000 0.000 0.245 222 N C -1.051 174.399 175.510 -0.101 0.000 1.001 222 N CA 0.883 53.848 53.050 -0.141 0.000 0.901 222 N CB -1.219 37.202 38.487 -0.110 0.000 1.124 222 N HN 0.198 nan 8.380 nan 0.000 0.582 223 V N 1.002 120.852 119.914 -0.108 0.000 2.408 223 V HA 0.432 4.552 4.120 0.000 0.000 0.267 223 V C 1.661 177.700 176.094 -0.092 0.000 1.047 223 V CA 0.408 62.656 62.300 -0.086 0.000 0.937 223 V CB 1.266 33.038 31.823 -0.085 0.000 0.999 223 V HN 0.350 nan 8.190 nan 0.000 0.472 224 A N 4.255 127.033 122.820 -0.071 0.000 2.066 224 A HA 0.057 4.378 4.320 0.000 0.000 0.218 224 A C 0.892 178.419 177.584 -0.095 0.000 1.157 224 A CA 0.874 52.870 52.037 -0.068 0.000 0.670 224 A CB 0.021 18.997 19.000 -0.039 0.000 0.804 224 A HN 0.819 nan 8.150 nan 0.000 0.453 225 E N -0.561 119.581 120.200 -0.097 0.000 2.352 225 E HA 0.400 4.750 4.350 0.000 0.000 0.280 225 E C -1.769 174.764 176.600 -0.112 0.000 0.930 225 E CA -0.673 55.651 56.400 -0.125 0.000 0.765 225 E CB 0.942 30.620 29.700 -0.036 0.000 1.219 225 E HN 0.177 nan 8.360 nan 0.000 0.434 226 Q N 1.927 121.620 119.800 -0.178 0.000 2.305 226 Q HA 0.369 4.709 4.340 0.000 0.000 0.271 226 Q C -1.383 174.605 176.000 -0.019 0.000 1.046 226 Q CA -0.664 55.080 55.803 -0.098 0.000 0.798 226 Q CB 2.462 31.122 28.738 -0.129 0.000 1.286 226 Q HN 0.525 nan 8.270 nan 0.000 0.435 227 T N 1.935 116.541 114.554 0.087 0.000 2.864 227 T HA 0.597 4.947 4.350 0.000 0.000 0.310 227 T C -0.402 174.347 174.700 0.082 0.000 1.040 227 T CA -0.231 61.960 62.100 0.151 0.000 0.977 227 T CB 1.065 70.045 68.868 0.188 0.000 0.976 227 T HN 0.590 nan 8.240 nan 0.000 0.459 228 T N 1.140 115.735 114.554 0.069 0.000 2.718 228 T HA 0.250 4.601 4.350 0.000 0.000 0.306 228 T C 0.534 175.287 174.700 0.089 0.000 1.485 228 T CA -0.407 61.730 62.100 0.063 0.000 0.997 228 T CB 1.588 70.472 68.868 0.027 0.000 1.504 228 T HN 0.439 nan 8.240 nan 0.000 0.497 229 D N 0.242 120.699 120.400 0.094 0.000 2.116 229 D HA -0.132 4.508 4.640 0.000 0.000 0.193 229 D C 0.710 177.111 176.300 0.168 0.000 0.998 229 D CA 1.843 55.914 54.000 0.119 0.000 0.836 229 D CB -0.027 40.837 40.800 0.107 0.000 0.951 229 D HN 0.574 nan 8.370 nan 0.000 0.449 230 H N -0.900 118.198 119.070 0.046 0.000 2.761 230 H HA 0.570 5.127 4.556 0.000 0.000 0.263 230 H C -1.211 174.112 175.328 -0.008 0.000 1.292 230 H CA -0.841 55.245 56.048 0.062 0.000 1.540 230 H CB 0.547 30.351 29.762 0.069 0.000 1.569 230 H HN 0.178 nan 8.280 nan 0.000 0.510 231 A N 3.023 125.975 122.820 0.219 0.000 2.340 231 A HA 0.676 4.996 4.320 0.000 0.000 0.268 231 A C 0.365 177.988 177.584 0.065 0.000 1.100 231 A CA 0.288 52.346 52.037 0.035 0.000 0.803 231 A CB 0.744 19.729 19.000 -0.025 0.000 1.043 231 A HN 0.743 nan 8.150 nan 0.000 0.488 232 G N -1.120 107.582 108.800 -0.164 0.000 2.698 232 G HA2 0.763 4.723 3.960 0.000 0.000 0.293 232 G HA3 0.763 4.723 3.960 0.000 0.000 0.293 232 G C -1.003 173.828 174.900 -0.115 0.000 1.437 232 G CA 0.148 45.180 45.100 -0.113 0.000 0.852 232 G HN 1.679 nan 8.290 nan 0.000 0.499 233 A N 0.113 122.971 122.820 0.063 0.000 2.498 233 A HA 0.884 5.205 4.320 0.000 0.000 0.298 233 A C -1.064 176.556 177.584 0.060 0.000 1.075 233 A CA -0.644 51.395 52.037 0.004 0.000 0.714 233 A CB 1.344 20.343 19.000 -0.002 0.000 1.299 233 A HN 0.786 nan 8.150 nan 0.000 0.407 234 I N 2.252 122.821 120.570 -0.002 0.000 2.478 234 I HA 0.419 4.589 4.170 0.000 0.000 0.287 234 I C -1.071 175.035 176.117 -0.019 0.000 1.042 234 I CA -0.549 60.759 61.300 0.013 0.000 1.067 234 I CB 1.773 39.800 38.000 0.044 0.000 1.233 234 I HN 0.674 nan 8.210 nan 0.000 0.431 235 I N 2.815 123.263 120.570 -0.202 0.000 2.646 235 I HA 1.046 5.216 4.170 0.000 0.000 0.299 235 I C 0.063 175.929 176.117 -0.418 0.000 1.036 235 I CA -0.251 60.812 61.300 -0.394 0.000 1.074 235 I CB 2.023 39.317 38.000 -1.177 0.000 1.258 235 I HN 0.533 nan 8.210 nan 0.000 0.430 236 G N 3.078 111.644 108.800 -0.390 0.000 2.766 236 G HA2 0.897 4.857 3.960 0.000 0.000 0.288 236 G HA3 0.897 4.857 3.960 0.000 0.000 0.288 236 G C -1.379 172.992 174.900 -0.882 0.000 1.408 236 G CA -0.921 43.644 45.100 -0.892 0.000 0.852 236 G HN 0.938 nan 8.290 nan 0.000 0.487 237 F N -3.484 116.253 119.950 -0.356 0.000 2.900 237 F HA 0.731 5.258 4.527 0.000 0.000 0.321 237 F C -0.046 175.544 175.800 -0.349 0.000 1.160 237 F CA -1.371 56.475 58.000 -0.258 0.000 0.890 237 F CB 0.731 39.619 39.000 -0.186 0.000 1.334 237 F HN 0.801 nan 8.300 nan 0.000 0.459 238 K N 0.294 120.711 120.400 0.029 0.000 2.249 238 K HA 0.721 5.042 4.320 0.000 0.000 0.280 238 K C -0.420 176.107 176.600 -0.120 0.000 1.033 238 K CA -0.018 56.211 56.287 -0.098 0.000 0.946 238 K CB 0.619 33.057 32.500 -0.103 0.000 1.005 238 K HN 0.955 nan 8.250 nan 0.000 0.469 239 T N -0.596 113.878 114.554 -0.132 0.000 2.876 239 T HA 0.636 4.986 4.350 0.000 0.000 0.289 239 T C -0.153 174.517 174.700 -0.049 0.000 1.014 239 T CA -0.908 61.113 62.100 -0.131 0.000 0.986 239 T CB 1.142 69.925 68.868 -0.143 0.000 1.021 239 T HN 0.579 nan 8.240 nan 0.000 0.458 240 R N 0.987 121.467 120.500 -0.032 0.000 2.500 240 R HA 0.378 4.718 4.340 0.000 0.000 0.275 240 R C 0.305 176.630 176.300 0.042 0.000 1.051 240 R CA -0.976 55.124 56.100 0.000 0.000 1.088 240 R CB 0.822 31.118 30.300 -0.007 0.000 1.063 240 R HN 0.730 nan 8.270 nan 0.000 0.511 241 K N 0.874 121.302 120.400 0.047 0.000 2.504 241 K HA -0.122 4.198 4.320 0.000 0.000 0.278 241 K C 0.659 177.305 176.600 0.076 0.000 1.025 241 K CA 1.355 57.684 56.287 0.071 0.000 1.093 241 K CB -0.012 32.522 32.500 0.055 0.000 0.873 241 K HN 0.782 nan 8.250 nan 0.000 0.483 242 G N 2.580 111.444 108.800 0.107 0.000 2.184 242 G HA2 -0.352 3.608 3.960 0.000 0.000 0.264 242 G HA3 -0.352 3.608 3.960 0.000 0.000 0.264 242 G C -0.016 174.948 174.900 0.106 0.000 0.975 242 G CA 0.470 45.630 45.100 0.101 0.000 0.642 242 G HN 0.784 nan 8.290 nan 0.000 0.536 243 E N 0.757 121.025 120.200 0.114 0.000 2.415 243 E HA 0.316 4.666 4.350 0.000 0.000 0.263 243 E C 0.411 177.112 176.600 0.168 0.000 0.995 243 E CA 0.180 56.637 56.400 0.095 0.000 0.915 243 E CB 0.175 29.894 29.700 0.031 0.000 0.951 243 E HN 0.542 nan 8.360 nan 0.000 0.449 244 Q N 2.444 122.318 119.800 0.123 0.000 2.293 244 Q HA 0.421 4.761 4.340 0.000 0.000 0.261 244 Q C -1.187 174.910 176.000 0.162 0.000 0.960 244 Q CA -0.833 55.067 55.803 0.162 0.000 0.882 244 Q CB 2.296 31.093 28.738 0.099 0.000 1.275 244 Q HN 0.312 nan 8.270 nan 0.000 0.445 245 V N 3.195 123.285 119.914 0.293 0.000 2.448 245 V HA 0.343 4.463 4.120 0.000 0.000 0.295 245 V C -0.359 175.928 176.094 0.321 0.000 1.025 245 V CA -0.910 61.578 62.300 0.314 0.000 0.859 245 V CB 1.657 33.769 31.823 0.482 0.000 0.988 245 V HN 0.760 nan 8.190 nan 0.000 0.431 246 N N 2.841 121.678 118.700 0.227 0.000 2.443 246 N HA 0.739 5.480 4.740 0.000 0.000 0.295 246 N C -0.541 175.074 175.510 0.174 0.000 1.076 246 N CA -0.328 52.797 53.050 0.124 0.000 0.919 246 N CB 2.540 41.059 38.487 0.054 0.000 1.176 246 N HN 0.782 nan 8.380 nan 0.000 0.487 247 A N 2.261 125.112 122.820 0.052 0.000 2.335 247 A HA 0.469 4.790 4.320 0.000 0.000 0.304 247 A C -0.299 177.249 177.584 -0.059 0.000 1.118 247 A CA -0.713 51.272 52.037 -0.088 0.000 0.757 247 A CB 0.881 19.773 19.000 -0.180 0.000 1.188 247 A HN 0.604 nan 8.150 nan 0.000 0.460 248 R N 1.743 122.204 120.500 -0.065 0.000 2.254 248 R HA 0.649 4.989 4.340 0.000 0.000 0.318 248 R C -0.870 175.443 176.300 0.020 0.000 1.031 248 R CA 0.102 56.194 56.100 -0.013 0.000 0.905 248 R CB 0.978 31.284 30.300 0.010 0.000 1.050 248 R HN 0.683 nan 8.270 nan 0.000 0.456 249 I N 1.531 122.141 120.570 0.067 0.000 2.730 249 I HA 0.707 4.878 4.170 0.000 0.000 0.298 249 I C -0.495 175.766 176.117 0.240 0.000 1.089 249 I CA -0.908 60.500 61.300 0.180 0.000 1.041 249 I CB 2.270 40.411 38.000 0.235 0.000 1.235 249 I HN 0.668 nan 8.210 nan 0.000 0.423 250 A N 3.296 126.310 122.820 0.323 0.000 2.609 250 A HA 0.910 5.230 4.320 0.000 0.000 0.291 250 A C -1.002 176.793 177.584 0.352 0.000 1.096 250 A CA -0.446 51.780 52.037 0.314 0.000 0.684 250 A CB 2.062 21.184 19.000 0.204 0.000 1.282 250 A HN 0.768 nan 8.150 nan 0.000 0.412 251 S N -0.465 115.396 115.700 0.268 0.000 2.607 251 S HA 0.904 5.374 4.470 0.000 0.000 0.273 251 S C -0.603 173.995 174.600 -0.003 0.000 1.148 251 S CA -0.057 58.243 58.200 0.167 0.000 0.833 251 S CB 1.557 64.881 63.200 0.206 0.000 1.130 251 S HN 1.956 nan 8.310 nan 0.000 0.470 252 S N -0.791 114.839 115.700 -0.117 0.000 2.618 252 S HA 0.707 5.177 4.470 0.000 0.000 0.277 252 S C -1.184 173.211 174.600 -0.342 0.000 1.138 252 S CA -0.714 57.384 58.200 -0.169 0.000 0.844 252 S CB 0.908 64.083 63.200 -0.041 0.000 1.127 252 S HN 0.638 nan 8.310 nan 0.000 0.474 253 F N 1.594 121.482 119.950 -0.103 0.000 2.693 253 F HA 0.453 4.980 4.527 0.000 0.000 0.303 253 F C 1.126 176.811 175.800 -0.191 0.000 1.097 253 F CA 0.025 57.876 58.000 -0.248 0.000 1.330 253 F CB 0.154 38.982 39.000 -0.287 0.000 1.067 253 F HN 0.382 nan 8.300 nan 0.000 0.565 254 I N -1.680 118.940 120.570 0.084 0.000 3.196 254 I HA 0.108 4.279 4.170 0.000 0.000 0.248 254 I C 0.675 176.618 176.117 -0.290 0.000 1.105 254 I CA 0.280 61.586 61.300 0.009 0.000 1.482 254 I CB 0.230 38.240 38.000 0.017 0.000 1.400 254 I HN 0.001 nan 8.210 nan 0.000 0.464 255 S N -1.495 113.885 115.700 -0.534 0.000 2.611 255 S HA 0.354 4.825 4.470 0.000 0.000 0.268 255 S C -0.014 174.130 174.600 -0.759 0.000 1.156 255 S CA -0.669 56.907 58.200 -1.040 0.000 0.817 255 S CB 0.854 63.761 63.200 -0.489 0.000 1.122 255 S HN 0.047 nan 8.310 nan 0.000 0.466 256 F N 1.195 120.799 119.950 -0.577 0.000 2.134 256 F HA 0.098 4.625 4.527 0.000 0.000 0.299 256 F C 2.668 178.388 175.800 -0.133 0.000 1.097 256 F CA 1.810 59.676 58.000 -0.223 0.000 1.264 256 F CB -0.462 38.456 39.000 -0.137 0.000 1.001 256 F HN 0.885 nan 8.300 nan 0.000 0.479 257 E N -0.151 120.070 120.200 0.034 0.000 2.085 257 E HA -0.321 4.029 4.350 0.000 0.000 0.194 257 E C 2.188 178.793 176.600 0.008 0.000 0.994 257 E CA 1.390 57.801 56.400 0.019 0.000 0.801 257 E CB -0.079 29.614 29.700 -0.012 0.000 0.743 257 E HN 0.268 nan 8.360 nan 0.000 0.453 258 Q N 0.220 119.998 119.800 -0.037 0.000 2.119 258 Q HA -0.056 4.284 4.340 0.000 0.000 0.201 258 Q C 1.773 177.786 176.000 0.021 0.000 0.972 258 Q CA 1.671 57.466 55.803 -0.013 0.000 0.847 258 Q CB -0.337 28.378 28.738 -0.038 0.000 0.903 258 Q HN 0.308 nan 8.270 nan 0.000 0.433 259 A N 0.306 123.141 122.820 0.025 0.000 1.902 259 A HA -0.079 4.242 4.320 0.000 0.000 0.217 259 A C 2.279 179.927 177.584 0.107 0.000 1.181 259 A CA 1.886 53.973 52.037 0.084 0.000 0.623 259 A CB -1.147 17.935 19.000 0.136 0.000 0.818 259 A HN 0.506 nan 8.150 nan 0.000 0.443 260 A N -0.325 122.556 122.820 0.101 0.000 1.972 260 A HA 0.201 4.521 4.320 0.000 0.000 0.219 260 A C 2.451 180.078 177.584 0.071 0.000 1.169 260 A CA 1.924 54.015 52.037 0.089 0.000 0.635 260 A CB -0.847 18.198 19.000 0.076 0.000 0.810 260 A HN 0.999 nan 8.150 nan 0.000 0.446 261 A N 0.451 123.307 122.820 0.061 0.000 1.898 261 A HA -0.164 4.157 4.320 0.000 0.000 0.216 261 A C 1.858 179.482 177.584 0.067 0.000 1.181 261 A CA 1.711 53.781 52.037 0.056 0.000 0.620 261 A CB -0.611 18.417 19.000 0.047 0.000 0.819 261 A HN 0.517 nan 8.150 nan 0.000 0.442 262 N N -0.623 118.122 118.700 0.074 0.000 2.205 262 N HA -0.181 4.559 4.740 0.000 0.000 0.186 262 N C 1.488 177.053 175.510 0.092 0.000 1.015 262 N CA 1.732 54.833 53.050 0.086 0.000 0.862 262 N CB -0.525 38.017 38.487 0.093 0.000 0.986 262 N HN 0.531 nan 8.380 nan 0.000 0.429 263 M N 0.996 120.653 119.600 0.095 0.000 2.260 263 M HA -0.102 4.378 4.480 0.000 0.000 0.261 263 M C 0.848 177.191 176.300 0.071 0.000 1.066 263 M CA 1.482 56.837 55.300 0.091 0.000 1.082 263 M CB -0.426 32.228 32.600 0.091 0.000 1.388 263 M HN 0.149 nan 8.290 nan 0.000 0.419 264 N N -0.347 118.392 118.700 0.066 0.000 2.512 264 N HA -0.116 4.624 4.740 0.000 0.000 0.183 264 N C 1.078 176.621 175.510 0.055 0.000 1.073 264 N CA 0.840 53.923 53.050 0.055 0.000 0.911 264 N CB -0.083 38.435 38.487 0.052 0.000 0.964 264 N HN 0.561 nan 8.380 nan 0.000 0.447 265 E N 0.750 120.988 120.200 0.064 0.000 2.209 265 E HA -0.151 4.199 4.350 0.000 0.000 0.196 265 E C 1.488 178.119 176.600 0.051 0.000 0.993 265 E CA 0.701 57.139 56.400 0.063 0.000 0.819 265 E CB -0.040 29.706 29.700 0.076 0.000 0.745 265 E HN 0.476 nan 8.360 nan 0.000 0.477 266 L N -0.036 121.215 121.223 0.046 0.000 2.291 266 L HA 0.008 4.348 4.340 0.000 0.000 0.214 266 L C 1.659 178.545 176.870 0.027 0.000 1.120 266 L CA 0.403 55.261 54.840 0.031 0.000 0.799 266 L CB -0.994 41.079 42.059 0.024 0.000 0.925 266 L HN 0.243 nan 8.230 nan 0.000 0.446 267 G N 0.874 109.693 108.800 0.032 0.000 2.611 267 G HA2 -0.352 3.608 3.960 0.000 0.000 0.301 267 G HA3 -0.352 3.608 3.960 0.000 0.000 0.301 267 G C 0.528 175.441 174.900 0.023 0.000 1.233 267 G CA 0.358 45.474 45.100 0.027 0.000 0.993 267 G HN 0.214 nan 8.290 nan 0.000 0.553 268 K N 1.779 122.190 120.400 0.018 0.000 2.514 268 K HA 0.275 4.595 4.320 0.000 0.000 0.207 268 K C -0.044 176.562 176.600 0.010 0.000 1.035 268 K CA -0.171 56.124 56.287 0.015 0.000 1.113 268 K CB 0.195 32.703 32.500 0.014 0.000 0.846 268 K HN 0.488 nan 8.250 nan 0.000 0.491 269 D N 2.019 122.424 120.400 0.009 0.000 2.362 269 D HA 0.007 4.648 4.640 0.000 0.000 0.242 269 D C 0.589 176.888 176.300 -0.001 0.000 1.132 269 D CA 0.126 54.129 54.000 0.004 0.000 0.907 269 D CB 0.699 41.502 40.800 0.005 0.000 1.195 269 D HN 0.189 nan 8.370 nan 0.000 0.429 270 N N 0.431 119.129 118.700 -0.003 0.000 2.538 270 N HA 0.160 4.900 4.740 0.000 0.000 0.292 270 N C 1.094 176.599 175.510 -0.008 0.000 1.262 270 N CA -0.611 52.434 53.050 -0.007 0.000 0.976 270 N CB 0.612 39.096 38.487 -0.005 0.000 1.161 270 N HN 0.113 nan 8.380 nan 0.000 0.598 271 I N -0.167 120.398 120.570 -0.008 0.000 2.151 271 I HA -0.233 3.937 4.170 0.000 0.000 0.243 271 I C 1.762 177.890 176.117 0.019 0.000 1.080 271 I CA 1.688 62.996 61.300 0.013 0.000 1.339 271 I CB -1.213 36.810 38.000 0.038 0.000 1.039 271 I HN 0.566 nan 8.210 nan 0.000 0.409 272 E N 0.820 121.014 120.200 -0.010 0.000 2.038 272 E HA -0.235 4.115 4.350 0.000 0.000 0.195 272 E C 2.241 178.823 176.600 -0.030 0.000 1.000 272 E CA 1.368 57.744 56.400 -0.040 0.000 0.803 272 E CB -0.368 29.304 29.700 -0.047 0.000 0.750 272 E HN 0.552 nan 8.360 nan 0.000 0.448 273 Q N -0.108 119.681 119.800 -0.018 0.000 2.084 273 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 273 Q C 2.333 178.332 176.000 -0.002 0.000 0.978 273 Q CA 1.056 56.850 55.803 -0.015 0.000 0.844 273 Q CB -0.181 28.551 28.738 -0.010 0.000 0.898 273 Q HN 0.269 nan 8.270 nan 0.000 0.426 274 L N 0.275 121.506 121.223 0.013 0.000 2.056 274 L HA -0.148 4.192 4.340 0.000 0.000 0.207 274 L C 2.570 179.482 176.870 0.071 0.000 1.078 274 L CA 0.830 55.690 54.840 0.033 0.000 0.749 274 L CB -0.630 41.443 42.059 0.023 0.000 0.901 274 L HN 0.223 nan 8.230 nan 0.000 0.433 275 A N -0.290 122.588 122.820 0.097 0.000 1.892 275 A HA -0.324 3.997 4.320 0.000 0.000 0.218 275 A C 2.215 179.807 177.584 0.013 0.000 1.188 275 A CA 2.139 54.295 52.037 0.198 0.000 0.631 275 A CB -0.614 18.473 19.000 0.145 0.000 0.822 275 A HN 0.402 nan 8.150 nan 0.000 0.447 276 Q N 0.082 119.847 119.800 -0.060 0.000 2.084 276 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 276 Q C 1.932 177.866 176.000 -0.109 0.000 0.978 276 Q CA 2.244 57.969 55.803 -0.131 0.000 0.844 276 Q CB -0.299 28.385 28.738 -0.090 0.000 0.898 276 Q HN 0.705 nan 8.270 nan 0.000 0.426 277 K N -1.188 119.189 120.400 -0.039 0.000 2.097 277 K HA -0.036 4.284 4.320 0.000 0.000 0.205 277 K C 2.008 178.612 176.600 0.008 0.000 1.050 277 K CA 1.058 57.338 56.287 -0.012 0.000 0.938 277 K CB -0.393 32.114 32.500 0.013 0.000 0.718 277 K HN 0.379 nan 8.250 nan 0.000 0.442 278 G N 1.883 110.717 108.800 0.057 0.000 2.402 278 G HA2 -0.276 3.684 3.960 0.000 0.000 0.216 278 G HA3 -0.276 3.684 3.960 0.000 0.000 0.216 278 G C 1.459 176.449 174.900 0.149 0.000 1.162 278 G CA 0.675 45.883 45.100 0.179 0.000 0.777 278 G HN 0.215 nan 8.290 nan 0.000 0.539 279 K N 0.238 120.481 120.400 -0.261 0.000 2.032 279 K HA -0.142 4.178 4.320 0.000 0.000 0.209 279 K C 2.102 178.627 176.600 -0.125 0.000 1.048 279 K CA 1.675 57.637 56.287 -0.542 0.000 0.927 279 K CB -0.154 31.750 32.500 -0.993 0.000 0.712 279 K HN 0.104 nan 8.250 nan 0.000 0.441 280 D N 0.314 120.652 120.400 -0.102 0.000 2.104 280 D HA -0.181 4.459 4.640 0.000 0.000 0.194 280 D C 1.777 178.095 176.300 0.029 0.000 0.994 280 D CA 1.507 55.492 54.000 -0.024 0.000 0.830 280 D CB -0.344 40.439 40.800 -0.029 0.000 0.959 280 D HN 0.376 nan 8.370 nan 0.000 0.452 281 A N -0.034 122.795 122.820 0.015 0.000 1.908 281 A HA -0.174 4.147 4.320 0.000 0.000 0.218 281 A C 2.216 179.755 177.584 -0.074 0.000 1.181 281 A CA 1.367 53.377 52.037 -0.045 0.000 0.627 281 A CB -1.182 17.753 19.000 -0.108 0.000 0.818 281 A HN 0.319 nan 8.150 nan 0.000 0.445 282 W N -0.159 121.163 121.300 0.036 0.000 2.409 282 W HA -0.040 4.620 4.660 0.000 0.000 0.299 282 W C 2.240 178.811 176.519 0.088 0.000 1.203 282 W CA 1.231 58.610 57.345 0.056 0.000 1.298 282 W CB -0.351 29.158 29.460 0.081 0.000 1.127 282 W HN 0.417 nan 8.180 nan 0.000 0.528 283 N N 0.015 118.907 118.700 0.320 0.000 2.223 283 N HA -0.269 4.471 4.740 0.000 0.000 0.185 283 N C 1.677 177.348 175.510 0.268 0.000 1.016 283 N CA 1.389 54.638 53.050 0.332 0.000 0.863 283 N CB -0.255 38.384 38.487 0.254 0.000 0.983 283 N HN 0.170 nan 8.380 nan 0.000 0.429 284 Q N 1.109 121.013 119.800 0.172 0.000 2.135 284 Q HA -0.134 4.206 4.340 0.000 0.000 0.204 284 Q C 1.775 177.860 176.000 0.141 0.000 0.981 284 Q CA 1.848 57.727 55.803 0.126 0.000 0.856 284 Q CB -0.006 28.782 28.738 0.084 0.000 0.902 284 Q HN 0.366 nan 8.270 nan 0.000 0.425 285 V N -2.512 117.499 119.914 0.162 0.000 2.685 285 V HA 0.057 4.177 4.120 0.000 0.000 0.244 285 V C 2.222 178.477 176.094 0.269 0.000 1.054 285 V CA 0.791 63.244 62.300 0.255 0.000 1.076 285 V CB -0.715 31.170 31.823 0.103 0.000 0.725 285 V HN 0.322 nan 8.190 nan 0.000 0.467 286 L N 1.727 123.092 121.223 0.237 0.000 2.083 286 L HA 0.022 4.362 4.340 0.000 0.000 0.209 286 L C 2.709 179.469 176.870 -0.184 0.000 1.083 286 L CA 1.742 56.693 54.840 0.185 0.000 0.752 286 L CB -1.098 41.124 42.059 0.273 0.000 0.899 286 L HN 0.521 nan 8.230 nan 0.000 0.433 287 G N -0.529 108.072 108.800 -0.331 0.000 2.625 287 G HA2 -0.162 3.798 3.960 0.000 0.000 0.214 287 G HA3 -0.162 3.798 3.960 0.000 0.000 0.214 287 G C 1.540 176.201 174.900 -0.398 0.000 1.132 287 G CA 0.096 44.657 45.100 -0.898 0.000 0.782 287 G HN 0.143 nan 8.290 nan 0.000 0.538 288 K N 0.054 120.374 120.400 -0.133 0.000 2.362 288 K HA 0.092 4.412 4.320 0.000 0.000 0.200 288 K C 0.600 177.126 176.600 -0.124 0.000 1.046 288 K CA 0.438 56.692 56.287 -0.056 0.000 0.952 288 K CB 0.164 32.609 32.500 -0.092 0.000 0.753 288 K HN 0.380 nan 8.250 nan 0.000 0.466 289 I N 1.963 122.442 120.570 -0.151 0.000 2.521 289 I HA 0.148 4.318 4.170 0.000 0.000 0.277 289 I C -0.706 175.301 176.117 -0.184 0.000 1.054 289 I CA -0.435 60.779 61.300 -0.143 0.000 1.117 289 I CB 1.489 39.496 38.000 0.012 0.000 1.217 289 I HN -0.133 nan 8.210 nan 0.000 0.469 290 E N 5.654 125.728 120.200 -0.209 0.000 2.227 290 E HA 0.509 4.859 4.350 0.000 0.000 0.282 290 E C -0.602 175.880 176.600 -0.197 0.000 1.015 290 E CA -0.703 55.635 56.400 -0.105 0.000 0.823 290 E CB 2.619 32.372 29.700 0.088 0.000 1.081 290 E HN 0.419 nan 8.360 nan 0.000 0.396 291 V N -0.207 119.542 119.914 -0.275 0.000 2.769 291 V HA 0.642 4.762 4.120 0.000 0.000 0.312 291 V C -0.602 175.281 176.094 -0.352 0.000 1.061 291 V CA -0.732 61.209 62.300 -0.598 0.000 0.931 291 V CB 1.781 32.653 31.823 -1.584 0.000 1.010 291 V HN 0.726 nan 8.190 nan 0.000 0.433 292 E N 1.815 121.914 120.200 -0.169 0.000 2.446 292 E HA 0.710 5.061 4.350 0.000 0.000 0.276 292 E C 0.175 176.925 176.600 0.250 0.000 0.969 292 E CA -0.841 55.606 56.400 0.077 0.000 0.800 292 E CB 1.874 31.605 29.700 0.051 0.000 1.341 292 E HN 1.730 nan 8.360 nan 0.000 0.460 293 G N -0.029 108.950 108.800 0.299 0.000 2.298 293 G HA2 -0.014 3.946 3.960 0.000 0.000 0.287 293 G HA3 -0.014 3.946 3.960 0.000 0.000 0.287 293 G C 0.030 175.075 174.900 0.242 0.000 1.075 293 G CA 0.093 45.326 45.100 0.221 0.000 0.960 293 G HN 0.754 nan 8.290 nan 0.000 0.502 294 G N -0.596 108.338 108.800 0.224 0.000 2.725 294 G HA2 0.793 4.753 3.960 0.000 0.000 0.288 294 G HA3 0.793 4.753 3.960 0.000 0.000 0.288 294 G C -0.290 174.373 174.900 -0.394 0.000 1.399 294 G CA -0.049 45.020 45.100 -0.051 0.000 0.859 294 G HN 1.023 nan 8.290 nan 0.000 0.479 295 N N -1.014 117.459 118.700 -0.378 0.000 2.434 295 N HA 0.303 5.043 4.740 0.000 0.000 0.266 295 N C 1.209 176.431 175.510 -0.480 0.000 1.223 295 N CA -0.770 52.085 53.050 -0.324 0.000 0.972 295 N CB 1.174 39.566 38.487 -0.159 0.000 1.207 295 N HN 0.363 nan 8.380 nan 0.000 0.525 296 L N -0.182 120.926 121.223 -0.193 0.000 2.079 296 L HA -0.116 4.224 4.340 0.000 0.000 0.210 296 L C 1.023 177.909 176.870 0.026 0.000 1.081 296 L CA 1.888 56.725 54.840 -0.005 0.000 0.752 296 L CB -0.981 41.158 42.059 0.133 0.000 0.896 296 L HN 0.592 nan 8.230 nan 0.000 0.433 297 D N -0.662 119.732 120.400 -0.010 0.000 2.123 297 D HA -0.224 4.416 4.640 0.000 0.000 0.196 297 D C 2.174 178.501 176.300 0.046 0.000 0.992 297 D CA 1.501 55.514 54.000 0.022 0.000 0.833 297 D CB -0.101 40.696 40.800 -0.006 0.000 0.954 297 D HN 0.562 nan 8.370 nan 0.000 0.455 298 Q N -0.699 119.094 119.800 -0.012 0.000 2.079 298 Q HA -0.154 4.186 4.340 0.000 0.000 0.200 298 Q C 2.166 178.369 176.000 0.338 0.000 0.974 298 Q CA 0.864 56.731 55.803 0.106 0.000 0.840 298 Q CB -0.186 28.503 28.738 -0.081 0.000 0.898 298 Q HN 0.371 nan 8.270 nan 0.000 0.430 299 Y N 0.974 121.395 120.300 0.201 0.000 2.128 299 Y HA -0.210 4.340 4.550 0.001 0.000 0.284 299 Y C 2.339 178.335 175.900 0.160 0.000 1.154 299 Y CA 1.115 59.224 58.100 0.015 0.000 1.149 299 Y CB -0.544 37.606 38.460 -0.517 0.000 0.976 299 Y HN 0.045 nan 8.280 nan 0.000 0.505 300 R N -0.744 119.958 120.500 0.337 0.000 2.073 300 R HA -0.129 4.211 4.340 0.000 0.000 0.234 300 R C 2.232 178.668 176.300 0.227 0.000 1.134 300 R CA 2.030 58.328 56.100 0.329 0.000 0.952 300 R CB -0.806 29.639 30.300 0.241 0.000 0.850 300 R HN 0.259 nan 8.270 nan 0.000 0.433 301 T N 0.913 115.548 114.554 0.135 0.000 2.720 301 T HA -0.195 4.155 4.350 0.000 0.000 0.268 301 T C 1.426 176.109 174.700 -0.028 0.000 1.037 301 T CA 1.511 63.575 62.100 -0.060 0.000 1.144 301 T CB -0.346 68.398 68.868 -0.207 0.000 0.864 301 T HN 0.188 nan 8.240 nan 0.000 0.444 302 F N 0.580 120.591 119.950 0.102 0.000 2.113 302 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 302 F C 1.962 177.729 175.800 -0.054 0.000 1.103 302 F CA 1.096 59.172 58.000 0.127 0.000 1.248 302 F CB -0.293 38.765 39.000 0.096 0.000 0.999 302 F HN 0.109 nan 8.300 nan 0.000 0.475 303 Y N -0.163 120.335 120.300 0.330 0.000 2.395 303 Y HA -0.079 4.472 4.550 0.001 0.000 0.293 303 Y C 2.707 178.694 175.900 0.145 0.000 1.123 303 Y CA 1.178 59.416 58.100 0.231 0.000 1.227 303 Y CB -0.982 37.714 38.460 0.393 0.000 1.012 303 Y HN -0.001 nan 8.280 nan 0.000 0.552 304 S N -1.020 114.832 115.700 0.253 0.000 2.356 304 S HA -0.212 4.259 4.470 0.000 0.000 0.223 304 S C 2.259 176.992 174.600 0.222 0.000 1.032 304 S CA 1.395 59.727 58.200 0.220 0.000 1.005 304 S CB -0.818 62.464 63.200 0.136 0.000 0.867 304 S HN 0.530 nan 8.310 nan 0.000 0.449 305 C N 1.032 120.378 119.300 0.078 0.000 2.429 305 C HA -0.012 4.448 4.460 0.000 0.000 0.277 305 C C 2.529 177.531 174.990 0.020 0.000 1.262 305 C CA 0.588 59.649 59.018 0.072 0.000 1.733 305 C CB -1.298 26.432 27.740 -0.017 0.000 2.010 305 C HN 0.523 nan 8.230 nan 0.000 0.483 306 L N 0.479 121.647 121.223 -0.091 0.000 2.046 306 L HA -0.150 4.190 4.340 0.000 0.000 0.208 306 L C 2.325 179.253 176.870 0.096 0.000 1.077 306 L CA 2.098 56.902 54.840 -0.059 0.000 0.747 306 L CB -1.358 40.642 42.059 -0.097 0.000 0.896 306 L HN 0.570 nan 8.230 nan 0.000 0.432 307 Y N 0.180 120.499 120.300 0.032 0.000 2.165 307 Y HA -0.213 4.337 4.550 0.000 0.000 0.286 307 Y C 2.348 178.241 175.900 -0.012 0.000 1.155 307 Y CA 1.629 59.715 58.100 -0.024 0.000 1.164 307 Y CB -0.334 37.988 38.460 -0.229 0.000 0.978 307 Y HN 0.086 nan 8.280 nan 0.000 0.513 308 R N 0.242 120.561 120.500 -0.301 0.000 2.285 308 R HA -0.008 4.332 4.340 0.000 0.000 0.213 308 R C 1.728 177.962 176.300 -0.110 0.000 1.068 308 R CA 1.022 56.924 56.100 -0.331 0.000 1.004 308 R CB -0.617 29.648 30.300 -0.058 0.000 0.873 308 R HN 0.362 nan 8.270 nan 0.000 0.467 309 S N 0.333 116.002 115.700 -0.051 0.000 2.556 309 S HA 0.213 4.683 4.470 0.000 0.000 0.216 309 S C 1.183 175.761 174.600 -0.037 0.000 0.970 309 S CA 0.042 58.251 58.200 0.015 0.000 0.912 309 S CB 0.337 63.564 63.200 0.045 0.000 0.790 309 S HN 0.175 nan 8.310 nan 0.000 0.504 310 L N 0.772 121.871 121.223 -0.206 0.000 3.202 310 L HA 0.413 4.754 4.340 0.000 0.000 0.278 310 L C 0.728 177.043 176.870 -0.926 0.000 1.268 310 L CA 0.143 54.588 54.840 -0.658 0.000 1.034 310 L CB 0.116 41.680 42.059 -0.825 0.000 1.407 310 L HN 0.229 nan 8.230 nan 0.000 0.581 311 L N -1.399 119.605 121.223 -0.366 0.000 2.433 311 L HA 0.298 4.638 4.340 0.000 0.000 0.200 311 L C 0.416 177.215 176.870 -0.118 0.000 1.059 311 L CA 0.440 55.090 54.840 -0.317 0.000 0.835 311 L CB 0.225 42.029 42.059 -0.425 0.000 1.076 311 L HN 0.051 nan 8.230 nan 0.000 0.481 312 F N 0.140 120.260 119.950 0.284 0.000 2.461 312 F HA 0.428 4.955 4.527 0.000 0.000 0.337 312 F C -1.762 174.244 175.800 0.343 0.000 1.079 312 F CA -2.582 55.624 58.000 0.344 0.000 1.032 312 F CB -0.486 38.660 39.000 0.242 0.000 1.327 312 F HN -0.219 nan 8.300 nan 0.000 0.491 313 P HA -0.126 nan 4.420 nan 0.000 0.266 313 P C -0.898 176.787 177.300 0.642 0.000 1.162 313 P CA 0.180 63.633 63.100 0.589 0.000 0.758 313 P CB 0.371 32.390 31.700 0.532 0.000 0.774 314 R N 2.199 122.988 120.500 0.482 0.000 2.560 314 R HA 0.346 4.686 4.340 0.000 0.000 0.270 314 R C -0.013 176.440 176.300 0.254 0.000 1.074 314 R CA -0.864 55.445 56.100 0.348 0.000 1.140 314 R CB 0.640 30.996 30.300 0.092 0.000 1.073 314 R HN 0.298 nan 8.270 nan 0.000 0.527 315 K N 1.451 121.834 120.400 -0.029 0.000 2.451 315 K HA -0.026 4.294 4.320 0.000 0.000 0.280 315 K C -0.530 175.959 176.600 -0.185 0.000 1.020 315 K CA 0.300 56.218 56.287 -0.615 0.000 1.008 315 K CB 0.326 32.425 32.500 -0.668 0.000 0.917 315 K HN 0.502 nan 8.250 nan 0.000 0.478 316 F N 3.781 123.537 119.950 -0.325 0.000 2.764 316 F HA 0.157 4.684 4.527 0.000 0.000 0.310 316 F C -0.891 174.973 175.800 0.106 0.000 1.124 316 F CA -0.746 57.224 58.000 -0.049 0.000 1.252 316 F CB 0.406 39.389 39.000 -0.027 0.000 1.010 316 F HN 0.453 nan 8.300 nan 0.000 0.518 317 Y N -0.903 119.412 120.300 0.026 0.000 2.509 317 Y HA 0.796 5.346 4.550 0.000 0.000 0.341 317 Y C -0.790 175.154 175.900 0.073 0.000 1.038 317 Y CA -1.588 56.568 58.100 0.092 0.000 1.089 317 Y CB 0.804 39.327 38.460 0.105 0.000 1.241 317 Y HN 0.041 nan 8.280 nan 0.000 0.468 318 E N 2.407 122.787 120.200 0.301 0.000 2.277 318 E HA 0.447 4.798 4.350 0.000 0.000 0.266 318 E C -1.625 175.107 176.600 0.221 0.000 0.901 318 E CA -1.287 55.225 56.400 0.188 0.000 0.782 318 E CB 2.368 32.138 29.700 0.117 0.000 1.228 318 E HN 0.425 nan 8.360 nan 0.000 0.424 319 L N 2.888 124.213 121.223 0.171 0.000 2.305 319 L HA 0.180 4.520 4.340 0.000 0.000 0.281 319 L C 0.203 177.126 176.870 0.089 0.000 1.085 319 L CA -0.062 54.862 54.840 0.140 0.000 0.813 319 L CB 0.268 42.410 42.059 0.138 0.000 1.157 319 L HN 0.606 nan 8.230 nan 0.000 0.436 320 D N 2.247 122.685 120.400 0.065 0.000 2.511 320 D HA 0.309 4.949 4.640 0.000 0.000 0.276 320 D C 1.038 177.362 176.300 0.039 0.000 1.220 320 D CA 0.048 54.074 54.000 0.043 0.000 1.077 320 D CB 0.472 41.288 40.800 0.026 0.000 1.126 320 D HN 0.438 nan 8.370 nan 0.000 0.583 321 A N -0.376 122.462 122.820 0.028 0.000 1.978 321 A HA -0.198 4.122 4.320 0.000 0.000 0.220 321 A C 1.498 179.099 177.584 0.028 0.000 1.170 321 A CA 1.309 53.362 52.037 0.027 0.000 0.636 321 A CB -0.753 18.258 19.000 0.019 0.000 0.810 321 A HN 0.567 nan 8.150 nan 0.000 0.448 322 N N -0.788 117.927 118.700 0.025 0.000 2.268 322 N HA 0.194 4.935 4.740 0.000 0.000 0.204 322 N C 1.049 176.578 175.510 0.032 0.000 1.124 322 N CA 0.860 53.925 53.050 0.025 0.000 0.838 322 N CB 0.348 38.845 38.487 0.018 0.000 0.994 322 N HN 0.599 nan 8.380 nan 0.000 0.489 323 G N 0.711 109.536 108.800 0.041 0.000 2.168 323 G HA2 -0.271 3.689 3.960 0.000 0.000 0.257 323 G HA3 -0.271 3.689 3.960 0.000 0.000 0.257 323 G C -0.021 174.907 174.900 0.047 0.000 0.997 323 G CA 0.150 45.283 45.100 0.056 0.000 0.708 323 G HN 0.229 nan 8.290 nan 0.000 0.520 324 Q N 0.505 120.318 119.800 0.023 0.000 2.259 324 Q HA 0.412 4.752 4.340 0.000 0.000 0.249 324 Q C -2.093 173.887 176.000 -0.034 0.000 0.914 324 Q CA -2.217 53.576 55.803 -0.017 0.000 0.904 324 Q CB 1.265 29.988 28.738 -0.024 0.000 1.213 324 Q HN 0.335 nan 8.270 nan 0.000 0.428 325 P HA 0.207 nan 4.420 nan 0.000 0.271 325 P C -0.433 176.817 177.300 -0.082 0.000 1.216 325 P CA 0.074 63.060 63.100 -0.189 0.000 0.771 325 P CB 0.530 31.746 31.700 -0.808 0.000 0.864 326 I N 0.207 120.819 120.570 0.070 0.000 3.191 326 I HA 0.674 4.844 4.170 0.000 0.000 0.313 326 I C -0.883 175.372 176.117 0.229 0.000 1.193 326 I CA -1.095 60.254 61.300 0.082 0.000 0.968 326 I CB 2.741 40.752 38.000 0.019 0.000 1.262 326 I HN 0.427 nan 8.210 nan 0.000 0.456 327 H N 0.983 120.138 119.070 0.142 0.000 3.046 327 H HA 0.319 4.875 4.556 0.000 0.000 0.361 327 H C -2.248 173.218 175.328 0.231 0.000 1.235 327 H CA -0.771 55.401 56.048 0.206 0.000 1.146 327 H CB 1.333 31.259 29.762 0.273 0.000 1.859 327 H HN 0.813 nan 8.280 nan 0.000 0.548 328 Y N 2.015 122.454 120.300 0.231 0.000 2.402 328 Y HA 0.244 4.794 4.550 0.000 0.000 0.333 328 Y C 0.146 176.285 175.900 0.398 0.000 1.076 328 Y CA -0.021 58.214 58.100 0.225 0.000 1.299 328 Y CB 1.022 39.620 38.460 0.230 0.000 1.197 328 Y HN 0.649 nan 8.280 nan 0.000 0.517 329 S N 8.408 123.940 115.700 -0.281 0.000 2.422 329 S HA 0.268 4.739 4.470 0.000 0.000 0.283 329 S C -1.818 172.408 174.600 -0.624 0.000 1.163 329 S CA -1.546 56.555 58.200 -0.165 0.000 1.054 329 S CB 0.510 63.713 63.200 0.005 0.000 0.967 329 S HN 0.654 nan 8.310 nan 0.000 0.499 330 P HA 0.063 nan 4.420 nan 0.000 0.242 330 P C -0.051 176.846 177.300 -0.672 0.000 1.197 330 P CA 0.593 63.310 63.100 -0.639 0.000 0.765 330 P CB -0.050 31.103 31.700 -0.912 0.000 0.936 331 Y N 0.705 120.860 120.300 -0.242 0.000 2.441 331 Y HA 0.069 4.620 4.550 0.000 0.000 0.288 331 Y C 1.804 177.646 175.900 -0.096 0.000 1.118 331 Y CA 1.021 59.017 58.100 -0.173 0.000 1.215 331 Y CB -0.563 37.805 38.460 -0.154 0.000 1.118 331 Y HN 0.093 nan 8.280 nan 0.000 0.547 332 N N -1.708 117.009 118.700 0.027 0.000 2.118 332 N HA 0.198 4.939 4.740 0.000 0.000 0.226 332 N C 1.195 176.684 175.510 -0.035 0.000 1.305 332 N CA 0.547 53.605 53.050 0.013 0.000 0.890 332 N CB 0.664 39.170 38.487 0.033 0.000 1.118 332 N HN 0.219 nan 8.380 nan 0.000 0.511 333 G N -0.026 108.675 108.800 -0.165 0.000 2.162 333 G HA2 -0.334 3.626 3.960 0.000 0.000 0.260 333 G HA3 -0.334 3.626 3.960 0.000 0.000 0.260 333 G C -0.297 174.604 174.900 0.001 0.000 0.976 333 G CA 0.661 45.681 45.100 -0.133 0.000 0.655 333 G HN 0.546 nan 8.290 nan 0.000 0.533 334 Q N -0.760 119.013 119.800 -0.045 0.000 2.212 334 Q HA 0.633 4.973 4.340 0.000 0.000 0.238 334 Q C 0.019 176.024 176.000 0.008 0.000 0.955 334 Q CA -0.770 55.041 55.803 0.015 0.000 0.906 334 Q CB 2.104 30.840 28.738 -0.005 0.000 1.215 334 Q HN 0.167 nan 8.270 nan 0.000 0.478 335 V N 2.615 122.548 119.914 0.030 0.000 2.370 335 V HA 0.395 4.515 4.120 0.000 0.000 0.279 335 V C -0.278 175.749 176.094 -0.112 0.000 1.029 335 V CA -0.318 61.979 62.300 -0.004 0.000 0.870 335 V CB 0.415 32.265 31.823 0.045 0.000 0.984 335 V HN 0.508 nan 8.190 nan 0.000 0.451 336 L N 6.586 127.630 121.223 -0.299 0.000 2.327 336 L HA 0.651 4.991 4.340 0.000 0.000 0.258 336 L C -2.501 174.166 176.870 -0.338 0.000 1.024 336 L CA -2.095 52.565 54.840 -0.300 0.000 0.825 336 L CB 3.021 44.924 42.059 -0.260 0.000 1.386 336 L HN 0.376 nan 8.230 nan 0.000 0.417 337 P HA 0.349 nan 4.420 nan 0.000 0.274 337 P C -0.140 177.194 177.300 0.057 0.000 1.237 337 P CA 0.248 63.318 63.100 -0.050 0.000 0.793 337 P CB 1.210 32.894 31.700 -0.027 0.000 0.977 338 G N 0.313 109.127 108.800 0.024 0.000 2.612 338 G HA2 -0.109 3.851 3.960 0.000 0.000 0.686 338 G HA3 -0.109 3.851 3.960 0.000 0.000 0.686 338 G C -1.275 173.632 174.900 0.012 0.000 1.274 338 G CA -0.971 44.124 45.100 -0.008 0.000 0.849 338 G HN 0.313 nan 8.290 nan 0.000 0.595 339 Y N -0.809 119.506 120.300 0.025 0.000 2.426 339 Y HA 0.603 5.154 4.550 0.001 0.000 0.344 339 Y C 1.016 176.927 175.900 0.018 0.000 1.256 339 Y CA 0.776 58.859 58.100 -0.028 0.000 1.451 339 Y CB 1.198 39.698 38.460 0.067 0.000 1.342 339 Y HN 0.863 nan 8.280 nan 0.000 0.600 340 M N 2.513 122.329 119.600 0.359 0.000 2.325 340 M HA 0.506 4.986 4.480 0.000 0.000 0.285 340 M C -2.457 174.089 176.300 0.410 0.000 1.119 340 M CA -0.594 54.847 55.300 0.236 0.000 0.959 340 M CB 0.977 33.443 32.600 -0.223 0.000 1.737 340 M HN 0.368 nan 8.290 nan 0.000 0.486 341 F N 1.103 121.223 119.950 0.285 0.000 2.611 341 F HA 0.940 5.467 4.527 0.000 0.000 0.324 341 F C 0.333 176.238 175.800 0.175 0.000 1.061 341 F CA -0.428 57.745 58.000 0.289 0.000 0.954 341 F CB 2.486 41.659 39.000 0.288 0.000 1.301 341 F HN 0.664 nan 8.300 nan 0.000 0.482 342 T N -1.181 113.570 114.554 0.329 0.000 2.671 342 T HA 0.365 4.716 4.350 0.000 0.000 0.300 342 T C -1.887 172.972 174.700 0.265 0.000 1.238 342 T CA -0.467 61.714 62.100 0.136 0.000 1.020 342 T CB 0.992 69.702 68.868 -0.263 0.000 1.503 342 T HN 0.608 nan 8.240 nan 0.000 0.497 343 D N 0.786 121.323 120.400 0.229 0.000 2.737 343 D HA -0.097 4.543 4.640 0.000 0.000 0.243 343 D C -0.534 175.952 176.300 0.311 0.000 1.109 343 D CA 1.459 55.702 54.000 0.404 0.000 0.702 343 D CB -1.336 39.807 40.800 0.572 0.000 1.068 343 D HN 0.620 nan 8.370 nan 0.000 0.432 344 T N -1.227 113.300 114.554 -0.045 0.000 2.923 344 T HA 0.624 4.974 4.350 0.000 0.000 0.311 344 T C -0.379 173.599 174.700 -1.202 0.000 1.183 344 T CA 0.023 61.893 62.100 -0.384 0.000 1.020 344 T CB 1.781 70.673 68.868 0.041 0.000 1.165 344 T HN 0.155 nan 8.240 nan 0.000 0.482 345 G N 2.473 110.370 108.800 -1.505 0.000 2.422 345 G HA2 0.544 4.504 3.960 0.000 0.000 0.317 345 G HA3 0.544 4.504 3.960 0.000 0.000 0.317 345 G C 0.322 174.956 174.900 -0.444 0.000 1.210 345 G CA -0.531 43.496 45.100 -1.787 0.000 0.930 345 G HN 0.610 nan 8.290 nan 0.000 0.468 346 F N 1.062 120.918 119.950 -0.156 0.000 2.293 346 F HA 0.079 4.606 4.527 0.000 0.000 0.300 346 F C 2.007 177.984 175.800 0.294 0.000 1.086 346 F CA -0.301 57.756 58.000 0.095 0.000 1.375 346 F CB -0.342 38.704 39.000 0.077 0.000 1.045 346 F HN 0.759 nan 8.300 nan 0.000 0.516 347 W N 1.562 123.051 121.300 0.316 0.000 2.350 347 W HA -0.221 4.440 4.660 0.000 0.000 0.289 347 W C 1.792 178.438 176.519 0.212 0.000 1.215 347 W CA 1.893 59.455 57.345 0.362 0.000 1.236 347 W CB -0.162 29.482 29.460 0.307 0.000 1.130 347 W HN -0.098 nan 8.180 nan 0.000 0.541 348 D N -1.405 119.128 120.400 0.222 0.000 2.202 348 D HA -0.089 4.551 4.640 0.000 0.000 0.214 348 D C 2.149 178.383 176.300 -0.110 0.000 0.967 348 D CA 2.449 56.450 54.000 0.002 0.000 0.871 348 D CB -0.689 40.216 40.800 0.176 0.000 1.020 348 D HN 0.212 nan 8.370 nan 0.000 0.474 349 T N -0.949 113.666 114.554 0.101 0.000 3.086 349 T HA 0.041 4.392 4.350 0.000 0.000 0.250 349 T C 1.864 176.740 174.700 0.295 0.000 1.074 349 T CA -0.293 61.939 62.100 0.220 0.000 0.988 349 T CB -0.661 68.454 68.868 0.411 0.000 0.988 349 T HN 0.231 nan 8.240 nan 0.000 0.530 350 F N 2.363 122.408 119.950 0.159 0.000 2.259 350 F HA 0.202 4.729 4.527 0.000 0.000 0.298 350 F C 2.286 178.065 175.800 -0.036 0.000 1.088 350 F CA -0.170 57.837 58.000 0.011 0.000 1.358 350 F CB -0.373 38.569 39.000 -0.096 0.000 1.040 350 F HN -0.074 nan 8.300 nan 0.000 0.505 351 R N 0.692 120.607 120.500 -0.976 0.000 2.080 351 R HA -0.151 4.189 4.340 0.000 0.000 0.236 351 R C 1.977 178.132 176.300 -0.242 0.000 1.137 351 R CA 2.063 57.734 56.100 -0.715 0.000 0.943 351 R CB -1.057 28.826 30.300 -0.695 0.000 0.846 351 R HN 0.657 nan 8.270 nan 0.000 0.431 352 C N -2.545 116.709 119.300 -0.076 0.000 4.403 352 C HA 0.339 4.799 4.460 0.000 0.000 0.408 352 C C 1.950 177.083 174.990 0.238 0.000 1.714 352 C CA -0.835 58.164 59.018 -0.032 0.000 2.002 352 C CB -0.513 27.140 27.740 -0.145 0.000 3.129 352 C HN 0.392 nan 8.230 nan 0.000 0.662 353 L N 0.823 122.175 121.223 0.215 0.000 2.027 353 L HA 0.131 4.471 4.340 0.000 0.000 0.206 353 L C 2.157 179.126 176.870 0.164 0.000 1.074 353 L CA 2.262 57.219 54.840 0.195 0.000 0.745 353 L CB -0.982 41.154 42.059 0.128 0.000 0.898 353 L HN 0.374 nan 8.230 nan 0.000 0.433 354 F N 0.571 120.627 119.950 0.177 0.000 2.163 354 F HA -0.029 4.498 4.527 0.000 0.000 0.297 354 F C -0.255 175.655 175.800 0.184 0.000 1.094 354 F CA 1.182 59.276 58.000 0.156 0.000 1.290 354 F CB -1.803 37.243 39.000 0.076 0.000 1.017 354 F HN 0.151 nan 8.300 nan 0.000 0.483 355 P HA -0.230 nan 4.420 nan 0.000 0.217 355 P C 1.891 179.497 177.300 0.510 0.000 1.151 355 P CA 1.278 64.573 63.100 0.325 0.000 0.849 355 P CB -0.067 31.727 31.700 0.157 0.000 0.787 356 L N -1.118 120.441 121.223 0.560 0.000 2.083 356 L HA -0.139 4.201 4.340 0.000 0.000 0.209 356 L C 2.126 179.230 176.870 0.390 0.000 1.083 356 L CA 1.728 56.825 54.840 0.430 0.000 0.752 356 L CB -1.286 40.911 42.059 0.231 0.000 0.899 356 L HN -0.095 nan 8.230 nan 0.000 0.433 357 L N -0.737 120.705 121.223 0.364 0.000 2.046 357 L HA -0.231 4.109 4.340 0.000 0.000 0.208 357 L C 2.183 179.268 176.870 0.358 0.000 1.077 357 L CA 1.861 56.933 54.840 0.386 0.000 0.747 357 L CB -0.797 41.377 42.059 0.193 0.000 0.896 357 L HN 0.410 nan 8.230 nan 0.000 0.432 358 N N -0.175 118.728 118.700 0.338 0.000 2.166 358 N HA -0.209 4.531 4.740 0.000 0.000 0.186 358 N C 1.724 177.526 175.510 0.487 0.000 1.019 358 N CA 0.743 53.990 53.050 0.328 0.000 0.856 358 N CB -0.023 38.608 38.487 0.240 0.000 0.993 358 N HN 0.138 nan 8.380 nan 0.000 0.426 359 L N 0.158 121.688 121.223 0.511 0.000 2.044 359 L HA 0.058 4.398 4.340 0.000 0.000 0.205 359 L C 1.510 178.674 176.870 0.489 0.000 1.075 359 L CA 1.693 56.858 54.840 0.542 0.000 0.747 359 L CB -0.054 42.275 42.059 0.450 0.000 0.903 359 L HN 0.167 nan 8.230 nan 0.000 0.435 360 M N -2.518 117.208 119.600 0.210 0.000 2.338 360 M HA 0.187 4.667 4.480 0.000 0.000 0.276 360 M C -0.088 175.896 176.300 -0.528 0.000 1.057 360 M CA 0.446 55.620 55.300 -0.209 0.000 1.079 360 M CB 0.238 32.490 32.600 -0.580 0.000 1.547 360 M HN 0.168 nan 8.290 nan 0.000 0.549 361 Y N -0.074 120.352 120.300 0.210 0.000 2.658 361 Y HA 0.291 4.842 4.550 0.000 0.000 0.273 361 Y C -1.638 174.299 175.900 0.063 0.000 0.992 361 Y CA -1.645 56.536 58.100 0.136 0.000 1.105 361 Y CB -0.416 38.145 38.460 0.168 0.000 1.188 361 Y HN 0.025 nan 8.280 nan 0.000 0.616 362 P HA -0.202 nan 4.420 nan 0.000 0.216 362 P C 1.393 178.724 177.300 0.051 0.000 1.150 362 P CA 1.974 65.158 63.100 0.141 0.000 0.843 362 P CB 0.251 32.056 31.700 0.174 0.000 0.787 363 S N 0.185 115.914 115.700 0.049 0.000 2.380 363 S HA -0.142 4.329 4.470 0.000 0.000 0.229 363 S C 2.155 176.712 174.600 -0.072 0.000 1.043 363 S CA 1.829 60.031 58.200 0.003 0.000 1.038 363 S CB -1.766 61.457 63.200 0.037 0.000 0.872 363 S HN 0.031 nan 8.310 nan 0.000 0.456 364 V N 2.906 122.754 119.914 -0.109 0.000 2.379 364 V HA -0.121 3.999 4.120 0.000 0.000 0.245 364 V C 2.535 178.407 176.094 -0.369 0.000 1.044 364 V CA 1.803 63.908 62.300 -0.325 0.000 1.036 364 V CB -1.012 30.411 31.823 -0.666 0.000 0.664 364 V HN 0.443 nan 8.190 nan 0.000 0.453 365 N N 1.178 119.745 118.700 -0.222 0.000 2.166 365 N HA -0.197 4.544 4.740 0.000 0.000 0.186 365 N C 1.885 177.285 175.510 -0.184 0.000 1.019 365 N CA 2.091 55.043 53.050 -0.164 0.000 0.856 365 N CB -0.281 38.221 38.487 0.025 0.000 0.993 365 N HN 0.532 nan 8.380 nan 0.000 0.426 366 K N 1.089 121.399 120.400 -0.151 0.000 2.059 366 K HA -0.172 4.149 4.320 0.000 0.000 0.212 366 K C 2.133 178.590 176.600 -0.238 0.000 1.050 366 K CA 1.920 58.121 56.287 -0.143 0.000 0.927 366 K CB -1.181 31.253 32.500 -0.110 0.000 0.714 366 K HN 0.561 nan 8.250 nan 0.000 0.447 367 E N -0.690 119.282 120.200 -0.380 0.000 2.110 367 E HA -0.100 4.250 4.350 0.000 0.000 0.193 367 E C 2.325 178.686 176.600 -0.398 0.000 0.988 367 E CA 1.386 57.418 56.400 -0.614 0.000 0.804 367 E CB -0.129 29.251 29.700 -0.532 0.000 0.745 367 E HN 0.610 nan 8.360 nan 0.000 0.458 368 M N 0.067 119.317 119.600 -0.584 0.000 2.132 368 M HA -0.176 4.304 4.480 0.000 0.000 0.263 368 M C 2.279 178.486 176.300 -0.155 0.000 1.065 368 M CA 1.095 56.005 55.300 -0.651 0.000 1.122 368 M CB -0.033 32.233 32.600 -0.557 0.000 1.365 368 M HN 0.020 nan 8.290 nan 0.000 0.411 369 Q N 0.425 120.159 119.800 -0.110 0.000 2.050 369 Q HA -0.153 4.188 4.340 0.000 0.000 0.202 369 Q C 1.885 177.915 176.000 0.049 0.000 0.980 369 Q CA 1.315 57.096 55.803 -0.038 0.000 0.840 369 Q CB -0.560 28.145 28.738 -0.055 0.000 0.898 369 Q HN 0.491 nan 8.270 nan 0.000 0.424 370 E N 0.014 120.244 120.200 0.051 0.000 2.130 370 E HA -0.152 4.198 4.350 0.000 0.000 0.196 370 E C 2.002 178.733 176.600 0.219 0.000 0.998 370 E CA 1.289 57.775 56.400 0.144 0.000 0.806 370 E CB -0.419 29.390 29.700 0.181 0.000 0.738 370 E HN 0.502 nan 8.360 nan 0.000 0.459 371 G N 1.189 110.142 108.800 0.256 0.000 2.422 371 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 371 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 371 G C 1.763 176.823 174.900 0.268 0.000 1.146 371 G CA 0.495 45.787 45.100 0.319 0.000 0.769 371 G HN 0.166 nan 8.290 nan 0.000 0.547 372 L N 0.413 121.793 121.223 0.260 0.000 2.046 372 L HA -0.078 4.262 4.340 0.000 0.000 0.208 372 L C 2.830 179.957 176.870 0.427 0.000 1.077 372 L CA 0.432 55.477 54.840 0.341 0.000 0.747 372 L CB -0.414 41.798 42.059 0.256 0.000 0.896 372 L HN 0.106 nan 8.230 nan 0.000 0.432 373 I N 0.407 121.191 120.570 0.357 0.000 2.151 373 I HA -0.349 3.821 4.170 0.000 0.000 0.243 373 I C 2.096 178.327 176.117 0.190 0.000 1.080 373 I CA 1.889 63.363 61.300 0.290 0.000 1.339 373 I CB -1.440 36.686 38.000 0.211 0.000 1.039 373 I HN 0.406 nan 8.210 nan 0.000 0.409 374 N N -0.197 118.609 118.700 0.177 0.000 2.166 374 N HA -0.144 4.596 4.740 0.000 0.000 0.186 374 N C 1.663 177.212 175.510 0.065 0.000 1.019 374 N CA 1.683 54.818 53.050 0.141 0.000 0.856 374 N CB -0.063 38.531 38.487 0.178 0.000 0.993 374 N HN 0.356 nan 8.380 nan 0.000 0.426 375 T N -0.050 114.526 114.554 0.037 0.000 2.746 375 T HA -0.200 4.150 4.350 0.000 0.000 0.267 375 T C 1.560 176.080 174.700 -0.300 0.000 1.039 375 T CA 1.051 62.997 62.100 -0.257 0.000 1.142 375 T CB -0.448 68.310 68.868 -0.184 0.000 0.866 375 T HN 0.330 nan 8.240 nan 0.000 0.444 376 Y N 1.816 121.932 120.300 -0.307 0.000 2.145 376 Y HA -0.049 4.501 4.550 0.000 0.000 0.286 376 Y C 2.017 177.722 175.900 -0.325 0.000 1.145 376 Y CA 1.043 58.854 58.100 -0.481 0.000 1.148 376 Y CB -0.579 37.320 38.460 -0.935 0.000 0.981 376 Y HN 0.115 nan 8.280 nan 0.000 0.507 377 L N -0.090 120.980 121.223 -0.256 0.000 2.046 377 L HA -0.222 4.119 4.340 0.000 0.000 0.208 377 L C 2.144 178.878 176.870 -0.227 0.000 1.077 377 L CA 1.979 56.669 54.840 -0.251 0.000 0.747 377 L CB -0.515 41.511 42.059 -0.055 0.000 0.896 377 L HN 0.295 nan 8.230 nan 0.000 0.432 378 E N -0.741 119.372 120.200 -0.144 0.000 2.299 378 E HA -0.078 4.272 4.350 0.000 0.000 0.193 378 E C 2.030 178.584 176.600 -0.077 0.000 0.998 378 E CA 1.104 57.467 56.400 -0.063 0.000 0.851 378 E CB 0.212 29.951 29.700 0.065 0.000 0.795 378 E HN 0.515 nan 8.360 nan 0.000 0.492 379 S N -1.695 113.898 115.700 -0.177 0.000 2.564 379 S HA 0.323 4.793 4.470 0.000 0.000 0.231 379 S C 1.729 176.327 174.600 -0.003 0.000 1.067 379 S CA 0.228 58.411 58.200 -0.028 0.000 0.908 379 S CB 0.995 64.135 63.200 -0.100 0.000 0.809 379 S HN 0.315 nan 8.310 nan 0.000 0.491 380 G N 0.657 109.248 108.800 -0.350 0.000 2.234 380 G HA2 -0.177 3.783 3.960 0.000 0.000 0.235 380 G HA3 -0.177 3.783 3.960 0.000 0.000 0.235 380 G C -0.116 174.352 174.900 -0.720 0.000 0.997 380 G CA 0.093 44.816 45.100 -0.628 0.000 0.623 380 G HN 0.482 nan 8.290 nan 0.000 0.514 381 F N -0.374 119.485 119.950 -0.152 0.000 2.593 381 F HA 0.808 5.335 4.527 0.000 0.000 0.320 381 F C 0.113 175.979 175.800 0.110 0.000 1.060 381 F CA -1.475 56.575 58.000 0.083 0.000 0.940 381 F CB 1.130 40.161 39.000 0.051 0.000 1.268 381 F HN -0.066 nan 8.300 nan 0.000 0.475 382 F N 3.189 123.394 119.950 0.425 0.000 2.418 382 F HA 0.369 4.896 4.527 0.001 0.000 0.341 382 F C -1.840 174.160 175.800 0.332 0.000 1.120 382 F CA -2.219 55.956 58.000 0.292 0.000 1.232 382 F CB 0.183 39.275 39.000 0.154 0.000 1.175 382 F HN 0.099 nan 8.300 nan 0.000 0.569 383 P HA 0.156 nan 4.420 nan 0.000 0.277 383 P C -0.479 177.031 177.300 0.351 0.000 1.240 383 P CA -0.151 63.242 63.100 0.489 0.000 0.798 383 P CB 1.769 33.690 31.700 0.367 0.000 0.979 384 E N 0.625 120.964 120.200 0.232 0.000 2.280 384 E HA 0.087 4.438 4.350 0.000 0.000 0.197 384 E C -0.219 176.361 176.600 -0.033 0.000 0.913 384 E CA 0.803 57.320 56.400 0.195 0.000 0.995 384 E CB -0.071 29.786 29.700 0.261 0.000 0.991 384 E HN 0.502 nan 8.360 nan 0.000 0.484 385 W N 0.745 122.062 121.300 0.030 0.000 2.417 385 W HA 0.571 5.231 4.660 0.000 0.000 0.315 385 W C -0.906 175.612 176.519 -0.002 0.000 1.045 385 W CA -0.381 56.957 57.345 -0.011 0.000 1.221 385 W CB 1.571 31.045 29.460 0.023 0.000 1.309 385 W HN -0.021 nan 8.180 nan 0.000 0.453 386 A N 3.487 126.532 122.820 0.375 0.000 2.335 386 A HA 0.703 5.023 4.320 0.000 0.000 0.304 386 A C -1.058 176.667 177.584 0.234 0.000 1.118 386 A CA -0.515 51.651 52.037 0.215 0.000 0.757 386 A CB 1.759 20.811 19.000 0.087 0.000 1.188 386 A HN 0.303 nan 8.150 nan 0.000 0.460 387 S N 4.193 119.910 115.700 0.028 0.000 2.689 387 S HA 0.572 5.042 4.470 0.000 0.000 0.274 387 S C -1.908 172.408 174.600 -0.474 0.000 1.176 387 S CA -0.951 57.206 58.200 -0.073 0.000 1.014 387 S CB 1.547 64.803 63.200 0.093 0.000 1.071 387 S HN 0.456 nan 8.310 nan 0.000 0.478 388 P HA -0.126 nan 4.420 nan 0.000 0.222 388 P C 0.993 177.797 177.300 -0.826 0.000 1.155 388 P CA 1.721 64.239 63.100 -0.970 0.000 0.890 388 P CB -0.315 30.563 31.700 -1.370 0.000 0.790 389 G N -1.292 107.048 108.800 -0.766 0.000 2.510 389 G HA2 0.177 4.137 3.960 0.000 0.000 0.280 389 G HA3 0.177 4.137 3.960 0.000 0.000 0.280 389 G C -0.486 174.208 174.900 -0.344 0.000 1.386 389 G CA -0.424 44.188 45.100 -0.814 0.000 1.047 389 G HN 0.179 nan 8.290 nan 0.000 0.527 390 H N 0.825 119.881 119.070 -0.023 0.000 2.929 390 H HA 0.242 4.798 4.556 0.000 0.000 0.317 390 H C 0.415 175.685 175.328 -0.096 0.000 1.031 390 H CA 0.460 56.504 56.048 -0.006 0.000 1.466 390 H CB 0.522 30.211 29.762 -0.121 0.000 1.482 390 H HN 0.164 nan 8.280 nan 0.000 0.561 391 R N 1.345 121.902 120.500 0.095 0.000 2.807 391 R HA 0.375 4.715 4.340 0.000 0.000 0.276 391 R C 0.280 176.584 176.300 0.007 0.000 0.979 391 R CA -1.030 55.066 56.100 -0.006 0.000 0.928 391 R CB 2.013 32.273 30.300 -0.067 0.000 1.191 391 R HN 0.755 nan 8.270 nan 0.000 0.471 392 G N 0.456 109.227 108.800 -0.048 0.000 2.457 392 G HA2 0.409 4.369 3.960 0.000 0.000 0.316 392 G HA3 0.409 4.369 3.960 0.000 0.000 0.316 392 G C -0.694 174.169 174.900 -0.061 0.000 1.030 392 G CA -0.136 44.944 45.100 -0.033 0.000 1.073 392 G HN 0.440 nan 8.290 nan 0.000 0.430 393 C N 5.058 124.349 119.300 -0.016 0.000 2.931 393 C HA 0.697 5.157 4.460 0.000 0.000 0.370 393 C C -0.125 174.914 174.990 0.082 0.000 1.071 393 C CA -0.534 58.442 59.018 -0.071 0.000 1.266 393 C CB 0.477 27.983 27.740 -0.391 0.000 1.691 393 C HN 0.978 nan 8.230 nan 0.000 0.511 394 M N 2.912 122.476 119.600 -0.060 0.000 7.319 394 M HA -0.135 4.346 4.480 0.000 0.000 0.112 394 M C -0.181 176.070 176.300 -0.081 0.000 0.480 394 M CA 1.645 56.821 55.300 -0.206 0.000 1.311 394 M CB -2.081 30.391 32.600 -0.214 0.000 0.421 394 M HN 1.521 nan 8.290 nan 0.000 0.576 395 V N -3.019 116.842 119.914 -0.088 0.000 3.182 395 V HA 1.046 5.166 4.120 0.000 0.000 0.308 395 V C 0.222 176.511 176.094 0.324 0.000 1.240 395 V CA 0.547 62.903 62.300 0.094 0.000 1.063 395 V CB 1.241 33.079 31.823 0.026 0.000 1.076 395 V HN 2.669 nan 8.190 nan 0.000 0.446 396 G N 1.299 110.268 108.800 0.282 0.000 2.707 396 G HA2 -0.035 3.925 3.960 0.000 0.000 0.686 396 G HA3 -0.035 3.925 3.960 0.000 0.000 0.686 396 G C -0.560 174.585 174.900 0.408 0.000 1.315 396 G CA 0.145 45.467 45.100 0.369 0.000 0.832 396 G HN 1.858 nan 8.290 nan 0.000 0.573 397 N N 0.074 118.993 118.700 0.365 0.000 2.535 397 N HA 0.160 4.900 4.740 0.000 0.000 0.294 397 N C 1.210 176.751 175.510 0.053 0.000 1.408 397 N CA 0.059 53.228 53.050 0.198 0.000 0.927 397 N CB -0.369 38.167 38.487 0.082 0.000 1.276 397 N HN 0.491 nan 8.380 nan 0.000 0.505 398 N N -1.033 117.715 118.700 0.080 0.000 2.520 398 N HA -0.128 4.612 4.740 0.000 0.000 0.185 398 N C 1.624 176.974 175.510 -0.267 0.000 1.068 398 N CA 0.857 53.812 53.050 -0.159 0.000 0.911 398 N CB 0.142 38.535 38.487 -0.157 0.000 0.961 398 N HN 0.311 nan 8.380 nan 0.000 0.446 399 S N 0.380 116.000 115.700 -0.134 0.000 2.423 399 S HA -0.235 4.235 4.470 0.000 0.000 0.238 399 S C 2.085 176.366 174.600 -0.531 0.000 1.028 399 S CA 1.010 58.963 58.200 -0.412 0.000 1.000 399 S CB -0.549 62.623 63.200 -0.048 0.000 0.797 399 S HN 0.403 nan 8.310 nan 0.000 0.487 400 A N 1.439 124.023 122.820 -0.394 0.000 1.933 400 A HA -0.028 4.292 4.320 0.000 0.000 0.218 400 A C 2.457 179.759 177.584 -0.471 0.000 1.175 400 A CA 1.873 53.651 52.037 -0.431 0.000 0.628 400 A CB -1.260 17.521 19.000 -0.365 0.000 0.814 400 A HN 0.610 nan 8.150 nan 0.000 0.444 401 S N -0.454 114.946 115.700 -0.500 0.000 2.357 401 S HA -0.097 4.373 4.470 0.000 0.000 0.221 401 S C 1.964 176.343 174.600 -0.369 0.000 1.031 401 S CA 1.200 59.135 58.200 -0.441 0.000 0.982 401 S CB -0.439 62.487 63.200 -0.455 0.000 0.853 401 S HN 0.394 nan 8.310 nan 0.000 0.458 402 I N 1.723 121.982 120.570 -0.518 0.000 2.118 402 I HA -0.199 3.971 4.170 0.000 0.000 0.241 402 I C 2.401 178.207 176.117 -0.518 0.000 1.070 402 I CA 1.454 62.362 61.300 -0.653 0.000 1.327 402 I CB -1.392 35.856 38.000 -1.253 0.000 1.034 402 I HN 0.364 nan 8.210 nan 0.000 0.405 403 L N -0.097 120.793 121.223 -0.555 0.000 2.027 403 L HA -0.172 4.168 4.340 0.000 0.000 0.206 403 L C 2.636 179.332 176.870 -0.291 0.000 1.074 403 L CA 0.926 55.493 54.840 -0.456 0.000 0.745 403 L CB -0.570 41.124 42.059 -0.609 0.000 0.898 403 L HN 0.017 nan 8.230 nan 0.000 0.433 404 V N -0.289 119.445 119.914 -0.300 0.000 2.379 404 V HA -0.277 3.843 4.120 0.000 0.000 0.245 404 V C 2.148 178.166 176.094 -0.126 0.000 1.044 404 V CA 1.942 64.112 62.300 -0.217 0.000 1.036 404 V CB -0.456 31.205 31.823 -0.270 0.000 0.664 404 V HN 0.481 nan 8.190 nan 0.000 0.453 405 D N 0.530 120.847 120.400 -0.139 0.000 2.123 405 D HA -0.177 4.463 4.640 0.000 0.000 0.196 405 D C 2.110 178.363 176.300 -0.079 0.000 0.992 405 D CA 1.685 55.633 54.000 -0.088 0.000 0.833 405 D CB -0.124 40.636 40.800 -0.068 0.000 0.954 405 D HN 0.364 nan 8.370 nan 0.000 0.455 406 A N -0.691 122.080 122.820 -0.082 0.000 1.858 406 A HA -0.184 4.137 4.320 0.000 0.000 0.216 406 A C 2.302 179.861 177.584 -0.040 0.000 1.190 406 A CA 1.653 53.658 52.037 -0.054 0.000 0.617 406 A CB -1.458 17.502 19.000 -0.067 0.000 0.827 406 A HN 0.495 nan 8.150 nan 0.000 0.443 407 Y N -0.044 120.173 120.300 -0.138 0.000 2.128 407 Y HA -0.221 4.329 4.550 0.000 0.000 0.284 407 Y C 2.320 178.147 175.900 -0.122 0.000 1.154 407 Y CA 2.196 60.224 58.100 -0.121 0.000 1.149 407 Y CB -0.167 38.212 38.460 -0.135 0.000 0.976 407 Y HN 0.213 nan 8.280 nan 0.000 0.505 408 M N 0.126 119.781 119.600 0.092 0.000 2.460 408 M HA -0.144 4.336 4.480 0.000 0.000 0.263 408 M C 1.058 177.279 176.300 -0.132 0.000 1.071 408 M CA 1.531 56.830 55.300 -0.002 0.000 1.096 408 M CB -0.682 31.896 32.600 -0.035 0.000 1.408 408 M HN 0.252 nan 8.290 nan 0.000 0.463 409 K N -0.572 119.718 120.400 -0.184 0.000 2.440 409 K HA 0.333 4.653 4.320 0.000 0.000 0.206 409 K C 0.911 177.390 176.600 -0.201 0.000 1.025 409 K CA 0.366 56.455 56.287 -0.331 0.000 1.135 409 K CB 0.520 32.746 32.500 -0.456 0.000 0.856 409 K HN 0.431 nan 8.250 nan 0.000 0.502 410 G N 0.799 109.498 108.800 -0.167 0.000 2.176 410 G HA2 -0.222 3.739 3.960 0.000 0.000 0.232 410 G HA3 -0.222 3.739 3.960 0.000 0.000 0.232 410 G C 0.101 174.932 174.900 -0.115 0.000 0.986 410 G CA -0.236 44.792 45.100 -0.119 0.000 0.643 410 G HN 0.123 nan 8.290 nan 0.000 0.522 411 V N 1.553 121.401 119.914 -0.111 0.000 2.284 411 V HA 0.674 4.795 4.120 0.000 0.000 0.260 411 V C 0.644 176.662 176.094 -0.128 0.000 1.084 411 V CA 0.535 62.787 62.300 -0.081 0.000 0.894 411 V CB 0.483 32.289 31.823 -0.027 0.000 1.119 411 V HN 0.783 nan 8.190 nan 0.000 0.484 412 K N 4.265 124.569 120.400 -0.159 0.000 2.274 412 K HA 0.750 5.070 4.320 0.000 0.000 0.262 412 K C -0.230 176.354 176.600 -0.026 0.000 0.961 412 K CA -0.394 55.796 56.287 -0.163 0.000 0.833 412 K CB 1.518 33.803 32.500 -0.358 0.000 1.102 412 K HN 0.774 nan 8.250 nan 0.000 0.436 413 V N -0.571 119.374 119.914 0.052 0.000 3.051 413 V HA 0.188 4.308 4.120 0.000 0.000 0.306 413 V C 0.438 176.576 176.094 0.075 0.000 1.083 413 V CA -0.181 62.157 62.300 0.065 0.000 1.104 413 V CB 1.015 32.890 31.823 0.086 0.000 1.027 413 V HN 0.811 nan 8.190 nan 0.000 0.483 414 D N 0.576 121.018 120.400 0.070 0.000 2.117 414 D HA -0.069 4.571 4.640 0.000 0.000 0.198 414 D C 0.848 177.189 176.300 0.068 0.000 0.982 414 D CA 1.701 55.739 54.000 0.063 0.000 0.828 414 D CB -0.142 40.695 40.800 0.061 0.000 0.967 414 D HN 0.845 nan 8.370 nan 0.000 0.464 415 D N 0.369 120.815 120.400 0.076 0.000 2.563 415 D HA 0.114 4.754 4.640 0.000 0.000 0.222 415 D C 1.276 177.616 176.300 0.066 0.000 1.145 415 D CA -0.187 53.853 54.000 0.067 0.000 1.001 415 D CB -0.177 40.665 40.800 0.071 0.000 1.049 415 D HN 0.099 nan 8.370 nan 0.000 0.515 416 I N 1.551 122.158 120.570 0.061 0.000 2.394 416 I HA -0.186 3.984 4.170 0.000 0.000 0.251 416 I C 2.421 178.546 176.117 0.012 0.000 1.136 416 I CA 0.531 61.855 61.300 0.040 0.000 1.425 416 I CB -0.005 38.022 38.000 0.044 0.000 1.079 416 I HN 0.240 nan 8.210 nan 0.000 0.425 417 K N 1.022 121.431 120.400 0.015 0.000 2.032 417 K HA -0.188 4.132 4.320 0.000 0.000 0.209 417 K C 2.060 178.679 176.600 0.031 0.000 1.048 417 K CA 2.085 58.382 56.287 0.017 0.000 0.927 417 K CB -0.090 32.417 32.500 0.012 0.000 0.712 417 K HN 0.247 nan 8.250 nan 0.000 0.441 418 T N 2.233 116.803 114.554 0.026 0.000 2.746 418 T HA -0.160 4.190 4.350 0.000 0.000 0.267 418 T C 1.687 176.338 174.700 -0.082 0.000 1.039 418 T CA 1.212 63.312 62.100 -0.000 0.000 1.142 418 T CB -0.278 68.622 68.868 0.053 0.000 0.866 418 T HN 0.188 nan 8.240 nan 0.000 0.444 419 L N 0.511 121.741 121.223 0.012 0.000 1.990 419 L HA -0.123 4.218 4.340 0.000 0.000 0.213 419 L C 2.136 178.992 176.870 -0.024 0.000 1.072 419 L CA 1.840 56.709 54.840 0.050 0.000 0.755 419 L CB -1.160 40.908 42.059 0.015 0.000 0.889 419 L HN 0.282 nan 8.230 nan 0.000 0.432 420 Y N 0.538 120.746 120.300 -0.154 0.000 2.200 420 Y HA -0.189 4.361 4.550 0.000 0.000 0.290 420 Y C 2.492 178.298 175.900 -0.157 0.000 1.137 420 Y CA 2.106 60.096 58.100 -0.182 0.000 1.163 420 Y CB -0.139 38.212 38.460 -0.181 0.000 0.988 420 Y HN 0.411 nan 8.280 nan 0.000 0.518 421 E N -0.689 119.471 120.200 -0.068 0.000 2.058 421 E HA -0.202 4.148 4.350 0.000 0.000 0.194 421 E C 2.421 178.842 176.600 -0.297 0.000 0.997 421 E CA 0.997 57.320 56.400 -0.128 0.000 0.801 421 E CB -0.596 29.073 29.700 -0.052 0.000 0.746 421 E HN 0.631 nan 8.360 nan 0.000 0.450 422 G N 1.605 110.046 108.800 -0.597 0.000 2.476 422 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 422 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 422 G C 1.607 176.370 174.900 -0.230 0.000 1.164 422 G CA 0.730 45.236 45.100 -0.990 0.000 0.768 422 G HN 0.084 nan 8.290 nan 0.000 0.560 423 L N 0.368 121.507 121.223 -0.140 0.000 2.012 423 L HA -0.121 4.219 4.340 0.000 0.000 0.210 423 L C 2.872 179.580 176.870 -0.270 0.000 1.073 423 L CA 0.772 55.475 54.840 -0.229 0.000 0.748 423 L CB -0.379 41.411 42.059 -0.449 0.000 0.891 423 L HN 0.152 nan 8.230 nan 0.000 0.431 424 I N -0.908 119.447 120.570 -0.358 0.000 2.286 424 I HA -0.320 3.850 4.170 0.000 0.000 0.248 424 I C 2.551 178.597 176.117 -0.118 0.000 1.115 424 I CA 1.550 62.715 61.300 -0.226 0.000 1.392 424 I CB -1.578 36.288 38.000 -0.223 0.000 1.065 424 I HN 0.462 nan 8.210 nan 0.000 0.418 425 H N 1.522 120.473 119.070 -0.198 0.000 2.387 425 H HA -0.137 4.419 4.556 0.000 0.000 0.299 425 H C 2.085 177.288 175.328 -0.207 0.000 1.099 425 H CA 1.875 57.806 56.048 -0.195 0.000 1.315 425 H CB 0.030 29.683 29.762 -0.182 0.000 1.380 425 H HN 0.320 nan 8.280 nan 0.000 0.513 426 G N -0.413 108.328 108.800 -0.099 0.000 2.598 426 G HA2 -0.192 3.768 3.960 0.000 0.000 0.215 426 G HA3 -0.192 3.768 3.960 0.000 0.000 0.215 426 G C 1.756 176.542 174.900 -0.189 0.000 1.131 426 G CA 1.009 46.071 45.100 -0.063 0.000 0.785 426 G HN 0.600 nan 8.290 nan 0.000 0.539 427 T N -1.090 113.341 114.554 -0.205 0.000 3.067 427 T HA 0.072 4.422 4.350 0.000 0.000 0.261 427 T C 1.506 176.029 174.700 -0.296 0.000 1.110 427 T CA 1.148 63.140 62.100 -0.179 0.000 1.113 427 T CB -0.006 68.873 68.868 0.018 0.000 0.917 427 T HN 0.576 nan 8.240 nan 0.000 0.499 428 E N 0.360 120.242 120.200 -0.530 0.000 2.714 428 E HA 0.292 4.643 4.350 0.000 0.000 0.219 428 E C -0.401 175.221 176.600 -1.630 0.000 0.979 428 E CA -0.745 55.076 56.400 -0.965 0.000 1.092 428 E CB 0.311 29.836 29.700 -0.292 0.000 1.049 428 E HN 0.288 nan 8.360 nan 0.000 0.487 429 N N 0.897 118.910 118.700 -1.145 0.000 2.284 429 N HA 0.376 5.116 4.740 0.000 0.000 0.289 429 N C -1.826 173.598 175.510 -0.144 0.000 1.179 429 N CA -0.610 52.071 53.050 -0.615 0.000 0.774 429 N CB 3.037 41.204 38.487 -0.532 0.000 1.548 429 N HN 0.005 nan 8.380 nan 0.000 0.473 430 V N 0.752 120.721 119.914 0.092 0.000 2.735 430 V HA 0.299 4.419 4.120 0.000 0.000 0.310 430 V C -0.637 175.446 176.094 -0.019 0.000 1.061 430 V CA -0.581 61.772 62.300 0.088 0.000 0.913 430 V CB 1.658 33.563 31.823 0.137 0.000 1.005 430 V HN 0.837 nan 8.190 nan 0.000 0.428 431 H N 7.644 126.393 119.070 -0.535 0.000 2.964 431 H HA 0.244 4.800 4.556 0.000 0.000 0.328 431 H C -1.800 173.415 175.328 -0.188 0.000 1.030 431 H CA -0.236 55.437 56.048 -0.624 0.000 1.445 431 H CB 1.650 30.906 29.762 -0.843 0.000 1.449 431 H HN 0.525 nan 8.280 nan 0.000 0.581 432 P HA -0.124 nan 4.420 nan 0.000 0.218 432 P C 0.545 177.903 177.300 0.095 0.000 1.148 432 P CA 1.346 64.422 63.100 -0.040 0.000 0.822 432 P CB 0.398 32.037 31.700 -0.101 0.000 0.784 433 E N -1.864 118.523 120.200 0.311 0.000 2.330 433 E HA 0.088 4.438 4.350 0.000 0.000 0.200 433 E C -0.039 176.627 176.600 0.110 0.000 0.922 433 E CA 0.158 56.680 56.400 0.204 0.000 0.935 433 E CB 0.461 30.271 29.700 0.184 0.000 0.917 433 E HN -0.129 nan 8.360 nan 0.000 0.491 434 V N 2.507 122.461 119.914 0.066 0.000 2.277 434 V HA 0.062 4.183 4.120 0.000 0.000 0.269 434 V C 0.990 177.037 176.094 -0.078 0.000 1.036 434 V CA 0.216 62.437 62.300 -0.132 0.000 0.821 434 V CB 0.978 32.570 31.823 -0.385 0.000 1.052 434 V HN 0.275 nan 8.190 nan 0.000 0.462 435 S N 2.471 118.163 115.700 -0.014 0.000 2.507 435 S HA -0.107 4.363 4.470 0.000 0.000 0.235 435 S C 1.703 176.317 174.600 0.024 0.000 0.988 435 S CA 1.014 59.223 58.200 0.015 0.000 0.944 435 S CB -0.172 63.048 63.200 0.034 0.000 0.762 435 S HN 0.849 nan 8.310 nan 0.000 0.526 436 S N -0.172 115.535 115.700 0.011 0.000 2.605 436 S HA 0.209 4.679 4.470 0.000 0.000 0.217 436 S C 0.298 174.929 174.600 0.052 0.000 0.958 436 S CA -0.430 57.807 58.200 0.062 0.000 0.919 436 S CB -0.286 62.967 63.200 0.090 0.000 0.780 436 S HN 0.352 nan 8.310 nan 0.000 0.507 437 T N 2.451 116.965 114.554 -0.066 0.000 2.770 437 T HA 0.670 5.020 4.350 0.000 0.000 0.283 437 T C 0.512 175.097 174.700 -0.191 0.000 0.988 437 T CA 0.308 62.300 62.100 -0.179 0.000 0.957 437 T CB 0.892 69.446 68.868 -0.525 0.000 0.930 437 T HN 0.813 nan 8.240 nan 0.000 0.443 438 G N 3.369 112.199 108.800 0.050 0.000 2.681 438 G HA2 -0.182 3.778 3.960 0.000 0.000 0.220 438 G HA3 -0.182 3.778 3.960 0.000 0.000 0.220 438 G C -0.835 174.121 174.900 0.094 0.000 1.353 438 G CA -0.910 44.293 45.100 0.172 0.000 0.872 438 G HN 0.774 nan 8.290 nan 0.000 0.557 439 R N -0.210 120.302 120.500 0.020 0.000 2.278 439 R HA 0.417 4.757 4.340 0.000 0.000 0.322 439 R C 0.127 176.558 176.300 0.218 0.000 1.058 439 R CA -0.804 55.309 56.100 0.021 0.000 0.991 439 R CB 1.159 31.221 30.300 -0.397 0.000 1.140 439 R HN 0.546 nan 8.270 nan 0.000 0.518 440 L N 2.103 123.492 121.223 0.277 0.000 2.499 440 L HA 0.142 4.482 4.340 0.000 0.000 0.273 440 L C 1.173 178.241 176.870 0.330 0.000 1.195 440 L CA 1.612 56.612 54.840 0.266 0.000 0.882 440 L CB 0.552 42.720 42.059 0.182 0.000 1.133 440 L HN 0.927 nan 8.230 nan 0.000 0.483 441 G N 3.474 112.446 108.800 0.287 0.000 2.148 441 G HA2 -0.398 3.563 3.960 0.000 0.000 0.254 441 G HA3 -0.398 3.563 3.960 0.000 0.000 0.254 441 G C 0.542 175.612 174.900 0.284 0.000 0.981 441 G CA 0.796 46.069 45.100 0.290 0.000 0.670 441 G HN 1.171 nan 8.290 nan 0.000 0.528 442 Y N 0.185 120.571 120.300 0.144 0.000 2.315 442 Y HA 0.110 4.660 4.550 0.000 0.000 0.288 442 Y C 2.112 178.076 175.900 0.107 0.000 1.154 442 Y CA 1.652 59.804 58.100 0.088 0.000 1.229 442 Y CB -0.441 37.997 38.460 -0.037 0.000 0.980 442 Y HN 0.307 nan 8.280 nan 0.000 0.540 443 E N 0.662 120.430 120.200 -0.719 0.000 2.023 443 E HA -0.188 4.162 4.350 0.000 0.000 0.196 443 E C 1.954 178.368 176.600 -0.309 0.000 1.003 443 E CA 2.108 58.135 56.400 -0.622 0.000 0.809 443 E CB -1.127 28.141 29.700 -0.721 0.000 0.755 443 E HN 0.664 nan 8.360 nan 0.000 0.449 444 Y N -0.449 119.759 120.300 -0.153 0.000 2.097 444 Y HA -0.269 4.282 4.550 0.001 0.000 0.282 444 Y C 2.402 178.245 175.900 -0.094 0.000 1.152 444 Y CA 1.745 59.764 58.100 -0.135 0.000 1.136 444 Y CB -0.938 37.447 38.460 -0.125 0.000 0.975 444 Y HN 0.147 nan 8.280 nan 0.000 0.498 445 Y N 1.146 121.503 120.300 0.095 0.000 2.081 445 Y HA -0.351 4.199 4.550 0.000 0.000 0.280 445 Y C 2.014 177.936 175.900 0.037 0.000 1.163 445 Y CA 2.237 60.398 58.100 0.101 0.000 1.135 445 Y CB -0.905 37.699 38.460 0.240 0.000 0.970 445 Y HN 0.200 nan 8.280 nan 0.000 0.498 446 N N -0.345 118.415 118.700 0.100 0.000 2.223 446 N HA -0.188 4.552 4.740 0.000 0.000 0.185 446 N C 1.879 177.319 175.510 -0.117 0.000 1.016 446 N CA 1.181 54.217 53.050 -0.023 0.000 0.863 446 N CB -0.188 38.337 38.487 0.063 0.000 0.983 446 N HN 0.367 nan 8.380 nan 0.000 0.429 447 K N 0.598 120.926 120.400 -0.121 0.000 2.067 447 K HA 0.010 4.331 4.320 0.000 0.000 0.203 447 K C 1.378 177.888 176.600 -0.149 0.000 1.048 447 K CA 0.730 56.935 56.287 -0.137 0.000 0.954 447 K CB 0.295 32.698 32.500 -0.161 0.000 0.737 447 K HN 0.038 nan 8.250 nan 0.000 0.444 448 L N -0.502 120.606 121.223 -0.192 0.000 2.463 448 L HA 0.221 4.561 4.340 0.000 0.000 0.219 448 L C 1.492 178.254 176.870 -0.180 0.000 1.088 448 L CA 1.491 56.184 54.840 -0.244 0.000 0.849 448 L CB -0.158 41.587 42.059 -0.523 0.000 1.012 448 L HN 0.656 nan 8.230 nan 0.000 0.468 449 G N 0.010 108.669 108.800 -0.234 0.000 2.176 449 G HA2 -0.291 3.669 3.960 0.000 0.000 0.232 449 G HA3 -0.291 3.669 3.960 0.000 0.000 0.232 449 G C 0.098 174.967 174.900 -0.051 0.000 0.986 449 G CA 0.377 45.353 45.100 -0.207 0.000 0.643 449 G HN 0.436 nan 8.290 nan 0.000 0.522 450 Y N -2.467 117.799 120.300 -0.056 0.000 2.689 450 Y HA 0.694 5.245 4.550 0.001 0.000 0.333 450 Y C -0.574 175.457 175.900 0.218 0.000 1.208 450 Y CA -1.715 56.469 58.100 0.140 0.000 1.055 450 Y CB 0.968 39.464 38.460 0.059 0.000 1.304 450 Y HN 0.381 nan 8.280 nan 0.000 0.455 451 V N 3.230 123.351 119.914 0.346 0.000 2.348 451 V HA 0.390 4.510 4.120 0.000 0.000 0.270 451 V C -2.273 173.888 176.094 0.112 0.000 1.037 451 V CA -1.981 60.406 62.300 0.145 0.000 0.872 451 V CB 0.759 32.663 31.823 0.136 0.000 1.002 451 V HN 0.581 nan 8.190 nan 0.000 0.464 452 P HA -0.055 nan 4.420 nan 0.000 0.266 452 P C 0.111 177.411 177.300 -0.001 0.000 1.193 452 P CA 0.271 63.378 63.100 0.010 0.000 0.770 452 P CB 0.385 31.914 31.700 -0.284 0.000 0.836 453 Y N 2.720 122.993 120.300 -0.044 0.000 2.561 453 Y HA -0.064 4.486 4.550 0.001 0.000 0.291 453 Y C 0.720 176.567 175.900 -0.087 0.000 1.141 453 Y CA 1.066 59.115 58.100 -0.086 0.000 1.303 453 Y CB 0.032 38.447 38.460 -0.074 0.000 1.015 453 Y HN 0.268 nan 8.280 nan 0.000 0.547 454 D N -0.356 120.031 120.400 -0.021 0.000 2.696 454 D HA 0.067 4.707 4.640 0.000 0.000 0.269 454 D C 0.308 176.535 176.300 -0.123 0.000 1.319 454 D CA 0.359 54.323 54.000 -0.060 0.000 0.826 454 D CB -0.502 40.337 40.800 0.063 0.000 1.086 454 D HN 0.198 nan 8.370 nan 0.000 0.481 455 V N -3.163 116.624 119.914 -0.213 0.000 3.085 455 V HA 0.425 4.545 4.120 0.000 0.000 0.345 455 V C 0.317 176.312 176.094 -0.165 0.000 1.397 455 V CA -0.770 61.389 62.300 -0.234 0.000 1.165 455 V CB -0.125 31.357 31.823 -0.569 0.000 1.153 455 V HN -0.028 nan 8.190 nan 0.000 0.495 456 K N 0.224 120.535 120.400 -0.147 0.000 3.339 456 K HA -0.136 4.185 4.320 0.000 0.000 0.299 456 K C -0.300 176.244 176.600 -0.093 0.000 1.270 456 K CA 0.980 57.206 56.287 -0.101 0.000 0.875 456 K CB -2.216 30.254 32.500 -0.050 0.000 1.298 456 K HN 0.763 nan 8.250 nan 0.000 0.485 457 I N 1.645 122.134 120.570 -0.136 0.000 2.411 457 I HA 0.189 4.359 4.170 0.000 0.000 0.284 457 I C 0.230 176.265 176.117 -0.137 0.000 1.012 457 I CA -0.866 60.373 61.300 -0.101 0.000 1.119 457 I CB 1.396 39.348 38.000 -0.081 0.000 1.261 457 I HN -0.087 nan 8.210 nan 0.000 0.448 458 N N 4.863 123.500 118.700 -0.105 0.000 2.525 458 N HA 0.162 4.902 4.740 0.000 0.000 0.271 458 N C 0.141 175.559 175.510 -0.153 0.000 1.194 458 N CA -0.079 52.890 53.050 -0.134 0.000 0.964 458 N CB 0.662 39.124 38.487 -0.042 0.000 1.126 458 N HN 0.501 nan 8.380 nan 0.000 0.452 459 E N -0.820 119.243 120.200 -0.228 0.000 2.637 459 E HA -0.249 4.102 4.350 0.000 0.000 0.265 459 E C 0.670 177.125 176.600 -0.242 0.000 1.073 459 E CA 0.544 56.798 56.400 -0.243 0.000 0.778 459 E CB -1.409 28.197 29.700 -0.158 0.000 1.362 459 E HN 0.701 nan 8.360 nan 0.000 0.413 460 N N 0.054 118.618 118.700 -0.227 0.000 2.104 460 N HA -0.250 4.490 4.740 0.000 0.000 0.190 460 N C 1.873 177.276 175.510 -0.178 0.000 1.024 460 N CA 1.563 54.515 53.050 -0.163 0.000 0.853 460 N CB -0.226 38.191 38.487 -0.115 0.000 1.008 460 N HN 0.292 nan 8.380 nan 0.000 0.424 461 A N 1.453 124.086 122.820 -0.312 0.000 1.898 461 A HA 0.161 4.481 4.320 0.000 0.000 0.216 461 A C 2.570 179.987 177.584 -0.279 0.000 1.181 461 A CA 1.791 53.620 52.037 -0.346 0.000 0.620 461 A CB -0.865 17.672 19.000 -0.771 0.000 0.819 461 A HN 0.491 nan 8.150 nan 0.000 0.442 462 A N -0.149 122.413 122.820 -0.429 0.000 1.930 462 A HA -0.139 4.181 4.320 0.000 0.000 0.217 462 A C 2.244 179.736 177.584 -0.154 0.000 1.175 462 A CA 1.450 53.221 52.037 -0.442 0.000 0.627 462 A CB -0.432 18.185 19.000 -0.638 0.000 0.815 462 A HN 0.558 nan 8.150 nan 0.000 0.443 463 R N -0.849 119.501 120.500 -0.250 0.000 2.073 463 R HA -0.084 4.256 4.340 0.000 0.000 0.234 463 R C 2.322 178.249 176.300 -0.622 0.000 1.134 463 R CA 1.843 57.629 56.100 -0.522 0.000 0.952 463 R CB -0.940 29.018 30.300 -0.570 0.000 0.850 463 R HN 0.515 nan 8.270 nan 0.000 0.433 464 T N 1.982 116.411 114.554 -0.209 0.000 2.635 464 T HA -0.159 4.191 4.350 0.000 0.000 0.267 464 T C 1.958 176.815 174.700 0.263 0.000 1.040 464 T CA 1.345 63.533 62.100 0.148 0.000 1.156 464 T CB -0.302 68.736 68.868 0.283 0.000 0.863 464 T HN 0.116 nan 8.240 nan 0.000 0.430 465 L N 0.589 121.953 121.223 0.235 0.000 2.012 465 L HA -0.142 4.198 4.340 0.000 0.000 0.210 465 L C 2.822 179.935 176.870 0.406 0.000 1.073 465 L CA 1.571 56.626 54.840 0.359 0.000 0.748 465 L CB -0.561 41.721 42.059 0.371 0.000 0.891 465 L HN 0.359 nan 8.230 nan 0.000 0.431 466 E N -1.059 119.341 120.200 0.334 0.000 2.107 466 E HA -0.198 4.152 4.350 0.000 0.000 0.191 466 E C 2.195 178.999 176.600 0.340 0.000 0.982 466 E CA 0.884 57.511 56.400 0.379 0.000 0.809 466 E CB -0.089 29.833 29.700 0.369 0.000 0.756 466 E HN 0.407 nan 8.360 nan 0.000 0.459 467 Y N 0.963 121.341 120.300 0.129 0.000 2.165 467 Y HA -0.202 4.349 4.550 0.001 0.000 0.286 467 Y C 2.456 178.443 175.900 0.144 0.000 1.155 467 Y CA 0.687 58.767 58.100 -0.033 0.000 1.164 467 Y CB -1.163 36.992 38.460 -0.509 0.000 0.978 467 Y HN 0.036 nan 8.280 nan 0.000 0.513 468 A N -0.404 122.716 122.820 0.501 0.000 1.865 468 A HA -0.288 4.032 4.320 0.000 0.000 0.217 468 A C 2.189 179.946 177.584 0.289 0.000 1.191 468 A CA 1.883 54.232 52.037 0.519 0.000 0.623 468 A CB -1.540 17.838 19.000 0.632 0.000 0.826 468 A HN 0.531 nan 8.150 nan 0.000 0.444 469 Y N 1.418 121.777 120.300 0.099 0.000 2.224 469 Y HA -0.211 4.339 4.550 0.001 0.000 0.289 469 Y C 1.819 177.656 175.900 -0.105 0.000 1.146 469 Y CA 1.785 59.741 58.100 -0.240 0.000 1.182 469 Y CB -0.357 38.140 38.460 0.061 0.000 0.983 469 Y HN 0.371 nan 8.280 nan 0.000 0.524 470 D N 0.439 120.690 120.400 -0.248 0.000 2.092 470 D HA -0.210 4.430 4.640 0.000 0.000 0.193 470 D C 1.737 177.907 176.300 -0.216 0.000 0.994 470 D CA 1.789 55.584 54.000 -0.341 0.000 0.828 470 D CB -0.473 40.255 40.800 -0.119 0.000 0.963 470 D HN 0.463 nan 8.370 nan 0.000 0.450 471 D N -0.225 120.182 120.400 0.013 0.000 2.182 471 D HA -0.164 4.476 4.640 0.000 0.000 0.201 471 D C 1.892 178.266 176.300 0.124 0.000 0.986 471 D CA 0.510 54.603 54.000 0.155 0.000 0.847 471 D CB -0.441 40.606 40.800 0.412 0.000 0.942 471 D HN 0.381 nan 8.370 nan 0.000 0.467 472 W N 1.331 122.568 121.300 -0.106 0.000 2.342 472 W HA -0.261 4.400 4.660 0.001 0.000 0.297 472 W C 2.272 178.773 176.519 -0.030 0.000 1.213 472 W CA 1.161 58.481 57.345 -0.040 0.000 1.251 472 W CB -0.338 29.019 29.460 -0.171 0.000 1.136 472 W HN -0.038 nan 8.180 nan 0.000 0.526 473 C N 0.197 119.464 119.300 -0.055 0.000 2.432 473 C HA -0.187 4.273 4.460 0.000 0.000 0.277 473 C C 2.686 177.439 174.990 -0.396 0.000 1.249 473 C CA 1.221 60.082 59.018 -0.263 0.000 1.725 473 C CB -1.467 26.050 27.740 -0.371 0.000 2.028 473 C HN 0.358 nan 8.230 nan 0.000 0.477 474 I N 0.132 120.455 120.570 -0.413 0.000 2.179 474 I HA -0.256 3.914 4.170 0.000 0.000 0.242 474 I C 2.551 178.386 176.117 -0.471 0.000 1.088 474 I CA 2.069 63.020 61.300 -0.581 0.000 1.357 474 I CB -0.679 36.724 38.000 -0.995 0.000 1.051 474 I HN 0.432 nan 8.210 nan 0.000 0.409 475 Y N 2.382 122.430 120.300 -0.420 0.000 2.128 475 Y HA -0.262 4.288 4.550 0.001 0.000 0.284 475 Y C 2.698 178.377 175.900 -0.368 0.000 1.154 475 Y CA 1.446 59.404 58.100 -0.236 0.000 1.149 475 Y CB -0.359 38.031 38.460 -0.116 0.000 0.976 475 Y HN -0.015 nan 8.280 nan 0.000 0.505 476 R N 0.159 120.295 120.500 -0.607 0.000 2.083 476 R HA -0.188 4.152 4.340 0.000 0.000 0.237 476 R C 2.243 178.187 176.300 -0.594 0.000 1.137 476 R CA 1.749 57.362 56.100 -0.811 0.000 0.951 476 R CB -1.251 28.392 30.300 -1.095 0.000 0.851 476 R HN 0.457 nan 8.270 nan 0.000 0.434 477 L N 0.963 121.904 121.223 -0.471 0.000 2.072 477 L HA 0.019 4.359 4.340 0.000 0.000 0.205 477 L C 2.417 179.083 176.870 -0.340 0.000 1.079 477 L CA 1.779 56.392 54.840 -0.379 0.000 0.752 477 L CB -0.632 41.218 42.059 -0.348 0.000 0.906 477 L HN 0.143 nan 8.230 nan 0.000 0.436 478 A N -0.366 122.292 122.820 -0.272 0.000 1.892 478 A HA -0.312 4.008 4.320 0.000 0.000 0.218 478 A C 2.425 179.819 177.584 -0.316 0.000 1.188 478 A CA 2.240 54.143 52.037 -0.224 0.000 0.631 478 A CB -0.686 18.284 19.000 -0.049 0.000 0.822 478 A HN 0.487 nan 8.150 nan 0.000 0.447 479 K N -0.713 119.428 120.400 -0.432 0.000 2.032 479 K HA -0.242 4.078 4.320 0.000 0.000 0.209 479 K C 2.126 178.557 176.600 -0.281 0.000 1.048 479 K CA 1.864 57.910 56.287 -0.400 0.000 0.927 479 K CB -0.149 31.990 32.500 -0.602 0.000 0.712 479 K HN 0.501 nan 8.250 nan 0.000 0.441 480 E N 0.812 120.839 120.200 -0.287 0.000 2.085 480 E HA -0.176 4.174 4.350 0.000 0.000 0.194 480 E C 1.529 178.016 176.600 -0.187 0.000 0.994 480 E CA 1.489 57.772 56.400 -0.196 0.000 0.801 480 E CB -0.175 29.419 29.700 -0.177 0.000 0.743 480 E HN 0.351 nan 8.360 nan 0.000 0.453 481 L N -0.687 120.377 121.223 -0.265 0.000 2.610 481 L HA 0.117 4.457 4.340 0.000 0.000 0.232 481 L C 1.389 178.123 176.870 -0.227 0.000 1.149 481 L CA 0.566 55.242 54.840 -0.274 0.000 0.872 481 L CB -1.230 40.572 42.059 -0.428 0.000 0.992 481 L HN 0.274 nan 8.230 nan 0.000 0.447 482 K N -0.323 119.959 120.400 -0.198 0.000 3.096 482 K HA -0.213 4.107 4.320 0.000 0.000 0.266 482 K C 0.647 177.151 176.600 -0.160 0.000 1.043 482 K CA 1.347 57.544 56.287 -0.150 0.000 0.758 482 K CB -3.051 29.382 32.500 -0.111 0.000 1.260 482 K HN 0.638 nan 8.250 nan 0.000 0.481 483 R N -0.213 120.164 120.500 -0.206 0.000 2.774 483 R HA 0.586 4.926 4.340 0.000 0.000 0.269 483 R C -1.605 174.639 176.300 -0.092 0.000 1.068 483 R CA -0.666 55.324 56.100 -0.184 0.000 1.180 483 R CB -0.865 29.294 30.300 -0.235 0.000 1.077 483 R HN 0.481 nan 8.270 nan 0.000 0.513 484 P HA 0.082 nan 4.420 nan 0.000 0.265 484 P C 0.780 178.079 177.300 -0.002 0.000 1.187 484 P CA 0.952 64.038 63.100 -0.023 0.000 0.766 484 P CB 0.472 32.167 31.700 -0.009 0.000 0.820 485 K N 2.803 123.203 120.400 -0.001 0.000 2.103 485 K HA -0.223 4.097 4.320 0.000 0.000 0.207 485 K C 2.235 178.853 176.600 0.029 0.000 1.048 485 K CA 2.672 58.968 56.287 0.015 0.000 0.930 485 K CB -1.930 30.576 32.500 0.010 0.000 0.716 485 K HN 0.519 nan 8.250 nan 0.000 0.444 486 K N 0.203 120.614 120.400 0.018 0.000 2.057 486 K HA -0.044 4.276 4.320 0.000 0.000 0.207 486 K C 2.553 179.167 176.600 0.023 0.000 1.049 486 K CA 2.123 58.418 56.287 0.012 0.000 0.931 486 K CB -1.500 31.000 32.500 0.001 0.000 0.714 486 K HN 0.830 nan 8.250 nan 0.000 0.440 487 E N 0.976 121.208 120.200 0.053 0.000 2.031 487 E HA -0.070 4.280 4.350 0.000 0.000 0.193 487 E C 2.139 178.855 176.600 0.193 0.000 0.994 487 E CA 1.489 57.960 56.400 0.118 0.000 0.800 487 E CB -0.658 29.152 29.700 0.183 0.000 0.752 487 E HN 0.662 nan 8.360 nan 0.000 0.447 488 I N 1.340 122.005 120.570 0.157 0.000 2.208 488 I HA -0.236 3.935 4.170 0.000 0.000 0.245 488 I C 2.735 179.006 176.117 0.258 0.000 1.097 488 I CA 1.730 63.140 61.300 0.183 0.000 1.363 488 I CB -0.146 37.886 38.000 0.054 0.000 1.051 488 I HN 0.177 nan 8.210 nan 0.000 0.413 489 S N 0.687 116.476 115.700 0.148 0.000 2.402 489 S HA -0.119 4.351 4.470 0.000 0.000 0.229 489 S C 1.904 176.541 174.600 0.061 0.000 1.021 489 S CA 0.959 59.226 58.200 0.112 0.000 0.974 489 S CB -0.412 62.820 63.200 0.053 0.000 0.800 489 S HN 0.321 nan 8.310 nan 0.000 0.484 490 L N 0.902 122.120 121.223 -0.009 0.000 2.017 490 L HA 0.016 4.356 4.340 0.000 0.000 0.208 490 L C 1.773 178.521 176.870 -0.204 0.000 1.073 490 L CA 1.821 56.556 54.840 -0.176 0.000 0.745 490 L CB -0.707 41.138 42.059 -0.356 0.000 0.894 490 L HN 0.183 nan 8.230 nan 0.000 0.432 491 F N -0.339 119.672 119.950 0.103 0.000 2.206 491 F HA 0.011 4.538 4.527 0.000 0.000 0.298 491 F C 2.504 178.369 175.800 0.108 0.000 1.090 491 F CA 0.994 59.066 58.000 0.121 0.000 1.323 491 F CB -1.257 37.825 39.000 0.136 0.000 1.028 491 F HN 0.162 nan 8.300 nan 0.000 0.492 492 A N 0.629 123.606 122.820 0.261 0.000 1.908 492 A HA -0.244 4.076 4.320 0.000 0.000 0.218 492 A C 2.389 179.986 177.584 0.021 0.000 1.181 492 A CA 2.749 54.765 52.037 -0.034 0.000 0.627 492 A CB -1.264 17.725 19.000 -0.018 0.000 0.818 492 A HN 0.318 nan 8.150 nan 0.000 0.445 493 K N -1.010 119.411 120.400 0.034 0.000 2.026 493 K HA -0.108 4.212 4.320 0.000 0.000 0.208 493 K C 2.473 179.089 176.600 0.026 0.000 1.048 493 K CA 2.493 58.782 56.287 0.003 0.000 0.929 493 K CB -1.521 30.960 32.500 -0.033 0.000 0.713 493 K HN 0.763 nan 8.250 nan 0.000 0.439 494 R N 0.413 120.947 120.500 0.056 0.000 2.120 494 R HA 0.330 4.670 4.340 0.000 0.000 0.234 494 R C 2.746 179.186 176.300 0.233 0.000 1.123 494 R CA 1.780 57.943 56.100 0.105 0.000 0.975 494 R CB -1.492 28.903 30.300 0.158 0.000 0.866 494 R HN 0.874 nan 8.270 nan 0.000 0.446 495 A N -0.081 122.905 122.820 0.277 0.000 2.076 495 A HA 0.104 4.424 4.320 0.000 0.000 0.220 495 A C 2.709 180.571 177.584 0.464 0.000 1.160 495 A CA 2.634 54.925 52.037 0.423 0.000 0.653 495 A CB -0.657 18.616 19.000 0.454 0.000 0.801 495 A HN 0.974 nan 8.150 nan 0.000 0.455 496 M N -0.757 118.955 119.600 0.187 0.000 2.595 496 M HA 0.072 4.552 4.480 0.000 0.000 0.248 496 M C 1.506 177.658 176.300 -0.248 0.000 1.119 496 M CA 1.495 56.754 55.300 -0.070 0.000 1.079 496 M CB -1.517 31.024 32.600 -0.099 0.000 1.472 496 M HN 0.595 nan 8.290 nan 0.000 0.501 497 N N 0.676 119.385 118.700 0.015 0.000 2.205 497 N HA -0.191 4.549 4.740 0.000 0.000 0.186 497 N C 1.591 177.140 175.510 0.066 0.000 1.015 497 N CA 2.078 55.148 53.050 0.034 0.000 0.862 497 N CB -0.656 37.911 38.487 0.133 0.000 0.986 497 N HN 0.960 nan 8.380 nan 0.000 0.429 498 Y N 1.096 121.545 120.300 0.249 0.000 2.425 498 Y HA -0.151 4.400 4.550 0.000 0.000 0.285 498 Y C 1.767 177.769 175.900 0.171 0.000 1.170 498 Y CA 1.059 59.294 58.100 0.225 0.000 1.304 498 Y CB -0.552 38.046 38.460 0.230 0.000 0.972 498 Y HN -0.077 nan 8.280 nan 0.000 0.558 499 K N 0.584 120.770 120.400 -0.357 0.000 2.217 499 K HA -0.074 4.246 4.320 0.000 0.000 0.202 499 K C 1.311 177.922 176.600 0.020 0.000 1.051 499 K CA 0.956 57.138 56.287 -0.175 0.000 0.952 499 K CB -0.202 32.090 32.500 -0.347 0.000 0.736 499 K HN 0.463 nan 8.250 nan 0.000 0.453 500 N N 0.926 119.628 118.700 0.003 0.000 2.520 500 N HA -0.093 4.647 4.740 0.000 0.000 0.185 500 N C 1.183 176.655 175.510 -0.063 0.000 1.068 500 N CA 0.905 53.936 53.050 -0.032 0.000 0.911 500 N CB 0.185 38.685 38.487 0.021 0.000 0.961 500 N HN 0.233 nan 8.380 nan 0.000 0.446 501 L N -0.632 120.661 121.223 0.116 0.000 2.808 501 L HA 0.280 4.620 4.340 0.000 0.000 0.246 501 L C 0.032 177.049 176.870 0.245 0.000 1.153 501 L CA -0.340 54.614 54.840 0.190 0.000 0.956 501 L CB 0.145 42.274 42.059 0.117 0.000 1.270 501 L HN -0.039 nan 8.230 nan 0.000 0.528 502 F N 1.826 121.842 119.950 0.110 0.000 2.438 502 F HA 0.195 4.722 4.527 -0.001 0.000 0.356 502 F C 0.425 176.118 175.800 -0.178 0.000 1.099 502 F CA -0.638 57.338 58.000 -0.040 0.000 1.185 502 F CB 0.695 39.700 39.000 0.008 0.000 1.115 502 F HN -0.084 nan 8.300 nan 0.000 0.526 503 D N 5.342 125.287 120.400 -0.758 0.000 2.274 503 D HA 0.183 4.824 4.640 0.000 0.000 0.239 503 D C 0.465 176.542 176.300 -0.373 0.000 1.104 503 D CA -0.411 53.102 54.000 -0.812 0.000 0.840 503 D CB 1.649 41.734 40.800 -1.192 0.000 1.100 503 D HN 0.468 nan 8.370 nan 0.000 0.477 504 K N 2.273 122.695 120.400 0.037 0.000 2.097 504 K HA -0.074 4.246 4.320 0.000 0.000 0.205 504 K C 1.607 178.221 176.600 0.023 0.000 1.050 504 K CA 1.201 57.610 56.287 0.202 0.000 0.938 504 K CB 0.099 32.682 32.500 0.139 0.000 0.718 504 K HN 0.516 nan 8.250 nan 0.000 0.442 505 E N 0.171 120.321 120.200 -0.082 0.000 2.047 505 E HA -0.130 4.220 4.350 0.000 0.000 0.191 505 E C 1.961 178.497 176.600 -0.106 0.000 0.987 505 E CA 1.611 57.966 56.400 -0.076 0.000 0.799 505 E CB -0.044 29.608 29.700 -0.080 0.000 0.752 505 E HN 0.370 nan 8.360 nan 0.000 0.449 506 S N 0.294 115.872 115.700 -0.204 0.000 2.436 506 S HA -0.007 4.464 4.470 0.000 0.000 0.228 506 S C 0.888 175.299 174.600 -0.316 0.000 1.014 506 S CA 0.394 58.469 58.200 -0.207 0.000 0.950 506 S CB 0.029 63.134 63.200 -0.158 0.000 0.784 506 S HN 0.153 nan 8.310 nan 0.000 0.504 507 K N 0.189 120.338 120.400 -0.418 0.000 3.281 507 K HA -0.113 4.207 4.320 0.000 0.000 0.295 507 K C -0.865 175.214 176.600 -0.868 0.000 1.233 507 K CA 0.605 56.594 56.287 -0.496 0.000 0.866 507 K CB -1.862 30.528 32.500 -0.182 0.000 1.265 507 K HN 0.448 nan 8.250 nan 0.000 0.482 508 L N 0.397 121.044 121.223 -0.961 0.000 2.333 508 L HA 0.508 4.848 4.340 0.000 0.000 0.263 508 L C 0.431 176.815 176.870 -0.809 0.000 1.014 508 L CA -1.393 52.927 54.840 -0.867 0.000 0.820 508 L CB 1.369 43.030 42.059 -0.662 0.000 1.352 508 L HN -0.109 nan 8.230 nan 0.000 0.421 509 M N 2.042 121.323 119.600 -0.532 0.000 2.245 509 M HA 0.294 4.774 4.480 0.000 0.000 0.344 509 M C -0.243 175.975 176.300 -0.137 0.000 1.170 509 M CA 0.573 55.726 55.300 -0.245 0.000 1.135 509 M CB 0.422 33.028 32.600 0.010 0.000 1.574 509 M HN 0.535 nan 8.290 nan 0.000 0.452 510 R N 0.388 120.764 120.500 -0.208 0.000 2.604 510 R HA 0.542 4.883 4.340 0.000 0.000 0.270 510 R C -0.421 175.772 176.300 -0.180 0.000 1.052 510 R CA -0.518 55.364 56.100 -0.365 0.000 0.902 510 R CB 1.400 31.030 30.300 -1.117 0.000 1.233 510 R HN 0.878 nan 8.270 nan 0.000 0.455 511 G N 2.754 111.419 108.800 -0.224 0.000 2.380 511 G HA2 0.144 4.104 3.960 0.000 0.000 0.242 511 G HA3 0.144 4.104 3.960 0.000 0.000 0.242 511 G C -0.722 174.103 174.900 -0.125 0.000 1.298 511 G CA -0.196 44.804 45.100 -0.167 0.000 0.878 511 G HN 0.550 nan 8.290 nan 0.000 0.542 512 R N 1.895 122.355 120.500 -0.067 0.000 2.621 512 R HA 0.204 4.544 4.340 0.000 0.000 0.292 512 R C -0.269 176.044 176.300 0.022 0.000 0.969 512 R CA -0.869 55.102 56.100 -0.216 0.000 0.887 512 R CB 0.987 30.844 30.300 -0.739 0.000 1.180 512 R HN 0.600 nan 8.270 nan 0.000 0.450 513 N N 1.825 120.522 118.700 -0.005 0.000 2.399 513 N HA -0.063 4.677 4.740 0.000 0.000 0.250 513 N C 0.605 176.208 175.510 0.155 0.000 1.272 513 N CA -0.036 53.069 53.050 0.091 0.000 0.928 513 N CB 0.952 39.464 38.487 0.042 0.000 1.158 513 N HN 0.715 nan 8.380 nan 0.000 0.463 514 E N 0.421 120.672 120.200 0.085 0.000 2.153 514 E HA -0.221 4.129 4.350 0.000 0.000 0.194 514 E C 0.450 177.092 176.600 0.069 0.000 0.988 514 E CA 1.233 57.664 56.400 0.052 0.000 0.811 514 E CB 0.049 29.757 29.700 0.013 0.000 0.746 514 E HN 0.584 nan 8.360 nan 0.000 0.466 515 D N -1.213 119.215 120.400 0.046 0.000 2.371 515 D HA -0.034 4.606 4.640 0.000 0.000 0.221 515 D C 1.327 177.634 176.300 0.012 0.000 0.986 515 D CA 1.091 55.105 54.000 0.023 0.000 0.899 515 D CB 0.121 40.926 40.800 0.008 0.000 0.902 515 D HN 0.351 nan 8.370 nan 0.000 0.530 516 G N -0.545 108.272 108.800 0.028 0.000 2.213 516 G HA2 -0.245 3.716 3.960 0.000 0.000 0.226 516 G HA3 -0.245 3.716 3.960 0.000 0.000 0.226 516 G C 0.440 175.199 174.900 -0.235 0.000 0.992 516 G CA 0.268 45.332 45.100 -0.059 0.000 0.632 516 G HN 0.691 nan 8.290 nan 0.000 0.511 517 T N 0.416 114.872 114.554 -0.163 0.000 2.884 517 T HA 0.603 4.953 4.350 0.000 0.000 0.298 517 T C 0.327 174.881 174.700 -0.244 0.000 0.998 517 T CA -0.485 61.510 62.100 -0.174 0.000 1.124 517 T CB 1.535 70.361 68.868 -0.070 0.000 0.931 517 T HN 0.202 nan 8.240 nan 0.000 0.531 518 F N 2.006 121.849 119.950 -0.179 0.000 2.496 518 F HA 0.190 4.718 4.527 0.002 0.000 0.344 518 F C 1.255 176.899 175.800 -0.260 0.000 1.155 518 F CA -0.404 57.435 58.000 -0.267 0.000 1.302 518 F CB 0.589 39.398 39.000 -0.319 0.000 1.159 518 F HN 0.591 nan 8.300 nan 0.000 0.595 519 Q N 1.965 121.688 119.800 -0.129 0.000 2.373 519 Q HA 0.256 4.597 4.340 0.000 0.000 0.255 519 Q C -1.274 174.623 176.000 -0.170 0.000 0.980 519 Q CA 0.128 55.768 55.803 -0.272 0.000 0.882 519 Q CB 1.089 29.354 28.738 -0.788 0.000 1.249 519 Q HN 0.696 nan 8.270 nan 0.000 0.438 520 S N 3.921 119.563 115.700 -0.096 0.000 2.548 520 S HA 0.601 5.071 4.470 0.000 0.000 0.276 520 S C -2.459 172.148 174.600 0.011 0.000 1.129 520 S CA -0.874 57.316 58.200 -0.017 0.000 0.931 520 S CB 1.866 65.067 63.200 0.001 0.000 1.068 520 S HN 0.633 nan 8.310 nan 0.000 0.480 521 P HA 0.569 nan 4.420 nan 0.000 0.285 521 P C -1.475 175.890 177.300 0.110 0.000 1.280 521 P CA -0.614 62.521 63.100 0.058 0.000 0.862 521 P CB 0.596 32.324 31.700 0.046 0.000 1.153 522 F N 0.981 120.888 119.950 -0.072 0.000 2.426 522 F HA 0.403 4.930 4.527 0.000 0.000 0.348 522 F C -0.657 175.113 175.800 -0.050 0.000 1.124 522 F CA -0.923 57.020 58.000 -0.095 0.000 1.008 522 F CB 1.035 39.950 39.000 -0.141 0.000 1.139 522 F HN 0.087 nan 8.300 nan 0.000 0.452 523 S N 8.681 124.175 115.700 -0.343 0.000 2.532 523 S HA 0.294 4.764 4.470 0.000 0.000 0.318 523 S C -2.073 172.171 174.600 -0.593 0.000 1.083 523 S CA -0.990 56.969 58.200 -0.401 0.000 1.131 523 S CB 1.359 64.500 63.200 -0.098 0.000 0.973 523 S HN 0.485 nan 8.310 nan 0.000 0.468 524 P HA 0.035 nan 4.420 nan 0.000 0.220 524 P C 0.646 177.843 177.300 -0.171 0.000 1.148 524 P CA 0.711 63.417 63.100 -0.658 0.000 0.803 524 P CB 0.117 31.525 31.700 -0.487 0.000 0.782 525 L N -1.460 119.730 121.223 -0.055 0.000 2.611 525 L HA 0.131 4.471 4.340 0.000 0.000 0.229 525 L C 1.161 178.164 176.870 0.222 0.000 1.137 525 L CA -0.132 54.767 54.840 0.097 0.000 0.901 525 L CB -0.326 41.797 42.059 0.107 0.000 1.098 525 L HN -0.080 nan 8.230 nan 0.000 0.456 526 K N 0.412 120.907 120.400 0.158 0.000 2.276 526 K HA 0.098 4.418 4.320 0.000 0.000 0.283 526 K C -1.091 175.750 176.600 0.402 0.000 1.044 526 K CA -0.558 55.913 56.287 0.307 0.000 0.944 526 K CB 0.678 33.301 32.500 0.206 0.000 1.012 526 K HN -0.130 nan 8.250 nan 0.000 0.472 527 W N 2.918 124.371 121.300 0.255 0.000 2.375 527 W HA 0.427 5.086 4.660 -0.001 0.000 0.336 527 W C 0.888 177.580 176.519 0.288 0.000 1.160 527 W CA 0.928 58.467 57.345 0.323 0.000 1.266 527 W CB 0.885 30.587 29.460 0.403 0.000 1.195 527 W HN 1.006 nan 8.180 nan 0.000 0.599 528 G N 1.667 110.729 108.800 0.436 0.000 2.539 528 G HA2 -0.264 3.696 3.960 0.000 0.000 0.256 528 G HA3 -0.264 3.696 3.960 0.000 0.000 0.256 528 G C 0.446 175.051 174.900 -0.491 0.000 1.233 528 G CA 0.724 45.760 45.100 -0.107 0.000 0.936 528 G HN 0.710 nan 8.290 nan 0.000 0.571 529 D N -2.607 116.927 120.400 -1.443 0.000 4.438 529 D HA -0.235 4.405 4.640 0.000 0.000 0.158 529 D C 2.197 178.226 176.300 -0.453 0.000 0.686 529 D CA 4.006 57.493 54.000 -0.856 0.000 1.183 529 D CB -1.568 39.052 40.800 -0.300 0.000 0.623 529 D HN 1.810 nan 8.370 nan 0.000 0.521 530 A N -0.145 122.512 122.820 -0.272 0.000 1.969 530 A HA 0.195 4.516 4.320 0.000 0.000 0.218 530 A C 1.248 178.385 177.584 -0.744 0.000 1.169 530 A CA 1.494 53.241 52.037 -0.482 0.000 0.635 530 A CB -0.293 18.320 19.000 -0.646 0.000 0.810 530 A HN 0.256 nan 8.150 nan 0.000 0.445 531 F N -1.166 118.673 119.950 -0.185 0.000 2.585 531 F HA 0.511 5.039 4.527 0.001 0.000 0.350 531 F C 0.713 176.432 175.800 -0.136 0.000 1.074 531 F CA -0.321 57.531 58.000 -0.245 0.000 1.032 531 F CB 1.166 40.083 39.000 -0.138 0.000 1.330 531 F HN -0.117 nan 8.300 nan 0.000 0.495 532 T N -2.075 112.601 114.554 0.203 0.000 2.809 532 T HA 0.412 4.763 4.350 0.000 0.000 0.296 532 T C -0.633 174.306 174.700 0.397 0.000 1.015 532 T CA -0.612 61.631 62.100 0.239 0.000 0.954 532 T CB 0.659 69.594 68.868 0.112 0.000 0.950 532 T HN 0.688 nan 8.240 nan 0.000 0.450 533 E N 1.419 121.877 120.200 0.431 0.000 2.252 533 E HA -0.086 4.264 4.350 0.000 0.000 0.218 533 E C 0.373 177.123 176.600 0.250 0.000 1.253 533 E CA 0.884 57.546 56.400 0.436 0.000 0.705 533 E CB -1.534 28.312 29.700 0.243 0.000 1.172 533 E HN 1.287 nan 8.360 nan 0.000 0.369 534 G N 0.197 109.021 108.800 0.039 0.000 2.328 534 G HA2 0.418 4.378 3.960 0.000 0.000 0.295 534 G HA3 0.418 4.378 3.960 0.000 0.000 0.295 534 G C -1.491 173.123 174.900 -0.476 0.000 1.413 534 G CA -0.391 44.424 45.100 -0.474 0.000 0.817 534 G HN 0.182 nan 8.290 nan 0.000 0.546 535 N N -1.550 116.695 118.700 -0.758 0.000 2.653 535 N HA 0.591 5.331 4.740 0.000 0.000 0.294 535 N C 1.176 176.076 175.510 -1.017 0.000 1.305 535 N CA 0.062 52.680 53.050 -0.720 0.000 0.827 535 N CB 1.270 39.404 38.487 -0.588 0.000 1.415 535 N HN 0.503 nan 8.380 nan 0.000 0.546 536 S N -1.020 114.081 115.700 -0.999 0.000 2.392 536 S HA -0.165 4.306 4.470 0.000 0.000 0.232 536 S C 0.876 175.040 174.600 -0.727 0.000 1.041 536 S CA 1.422 59.049 58.200 -0.956 0.000 1.026 536 S CB -0.570 62.418 63.200 -0.354 0.000 0.845 536 S HN 0.582 nan 8.310 nan 0.000 0.465 537 W N 0.655 121.573 121.300 -0.636 0.000 2.465 537 W HA 0.008 4.668 4.660 0.000 0.000 0.268 537 W C 2.157 178.488 176.519 -0.313 0.000 1.242 537 W CA 1.112 58.171 57.345 -0.477 0.000 1.248 537 W CB -0.214 28.980 29.460 -0.443 0.000 1.118 537 W HN 0.593 nan 8.180 nan 0.000 0.587 538 H N -3.994 114.998 119.070 -0.130 0.000 2.418 538 H HA -0.001 4.555 4.556 -0.000 0.000 0.300 538 H C 1.387 176.624 175.328 -0.152 0.000 1.041 538 H CA 1.094 57.070 56.048 -0.119 0.000 1.364 538 H CB -0.380 29.189 29.762 -0.321 0.000 1.439 538 H HN 0.038 nan 8.280 nan 0.000 0.540 539 Y N 0.951 121.111 120.300 -0.233 0.000 2.457 539 Y HA -0.121 4.429 4.550 0.000 0.000 0.292 539 Y C 2.313 178.106 175.900 -0.178 0.000 1.125 539 Y CA 0.818 58.839 58.100 -0.131 0.000 1.254 539 Y CB 0.236 38.641 38.460 -0.092 0.000 1.012 539 Y HN 0.121 nan 8.280 nan 0.000 0.555 540 T N -0.847 113.491 114.554 -0.358 0.000 2.849 540 T HA -0.244 4.106 4.350 0.000 0.000 0.270 540 T C 0.835 175.198 174.700 -0.561 0.000 1.066 540 T CA 1.649 63.409 62.100 -0.567 0.000 1.130 540 T CB -0.464 67.802 68.868 -1.003 0.000 0.864 540 T HN 0.500 nan 8.240 nan 0.000 0.481 541 W N 1.292 122.523 121.300 -0.114 0.000 3.256 541 W HA 0.260 4.920 4.660 -0.001 0.000 0.269 541 W C 1.031 177.464 176.519 -0.144 0.000 1.310 541 W CA -0.539 56.729 57.345 -0.129 0.000 1.673 541 W CB -0.231 29.098 29.460 -0.219 0.000 1.115 541 W HN -0.050 nan 8.180 nan 0.000 0.686 542 S N 1.315 116.980 115.700 -0.059 0.000 4.183 542 S HA 0.212 4.682 4.470 0.000 0.000 0.195 542 S C 0.211 174.536 174.600 -0.458 0.000 1.421 542 S CA 0.035 57.989 58.200 -0.411 0.000 0.920 542 S CB -0.352 62.875 63.200 0.046 0.000 1.525 542 S HN -0.043 nan 8.310 nan 0.000 0.447 543 V N 2.730 122.287 119.914 -0.596 0.000 2.562 543 V HA 0.200 4.320 4.120 0.000 0.000 0.274 543 V C 0.415 176.260 176.094 -0.415 0.000 1.075 543 V CA -0.470 61.558 62.300 -0.454 0.000 1.204 543 V CB -0.759 30.670 31.823 -0.656 0.000 1.478 543 V HN 0.626 nan 8.190 nan 0.000 0.622 544 F N 0.616 120.466 119.950 -0.166 0.000 2.120 544 F HA -0.223 4.305 4.527 0.001 0.000 0.300 544 F C 2.609 178.299 175.800 -0.184 0.000 1.095 544 F CA 2.182 60.010 58.000 -0.286 0.000 1.249 544 F CB -0.614 38.005 39.000 -0.635 0.000 0.995 544 F HN 0.619 nan 8.300 nan 0.000 0.480 545 H N -1.701 117.301 119.070 -0.113 0.000 2.502 545 H HA 0.084 4.641 4.556 0.001 0.000 0.283 545 H C -0.049 175.220 175.328 -0.098 0.000 1.015 545 H CA 1.252 57.096 56.048 -0.340 0.000 1.298 545 H CB -0.449 28.826 29.762 -0.813 0.000 1.411 545 H HN 0.256 nan 8.280 nan 0.000 0.556 546 D N 0.285 120.363 120.400 -0.536 0.000 2.849 546 D HA 0.234 4.875 4.640 0.000 0.000 0.314 546 D C -2.035 174.036 176.300 -0.382 0.000 1.210 546 D CA -1.944 51.810 54.000 -0.410 0.000 0.756 546 D CB 0.873 41.422 40.800 -0.417 0.000 1.222 546 D HN -0.034 nan 8.370 nan 0.000 0.521 547 P HA -0.187 nan 4.420 nan 0.000 0.215 547 P C 1.412 178.541 177.300 -0.286 0.000 1.157 547 P CA 1.127 63.996 63.100 -0.384 0.000 0.868 547 P CB 0.381 31.645 31.700 -0.728 0.000 0.788 548 Q N 0.092 119.793 119.800 -0.166 0.000 2.096 548 Q HA -0.126 4.215 4.340 0.000 0.000 0.204 548 Q C 2.187 178.108 176.000 -0.131 0.000 0.982 548 Q CA 2.414 58.132 55.803 -0.143 0.000 0.850 548 Q CB -1.619 27.072 28.738 -0.079 0.000 0.901 548 Q HN 0.176 nan 8.270 nan 0.000 0.422 549 G N 0.647 109.387 108.800 -0.101 0.000 2.469 549 G HA2 -0.269 3.692 3.960 0.000 0.000 0.219 549 G HA3 -0.269 3.692 3.960 0.000 0.000 0.219 549 G C 1.326 176.216 174.900 -0.017 0.000 1.150 549 G CA 1.035 46.132 45.100 -0.005 0.000 0.763 549 G HN 0.427 nan 8.290 nan 0.000 0.561 550 L N 0.710 121.872 121.223 -0.101 0.000 2.056 550 L HA 0.150 4.490 4.340 0.000 0.000 0.207 550 L C 2.671 179.569 176.870 0.048 0.000 1.078 550 L CA 1.161 55.992 54.840 -0.013 0.000 0.749 550 L CB -0.478 41.577 42.059 -0.008 0.000 0.901 550 L HN 0.270 nan 8.230 nan 0.000 0.433 551 I N -0.185 120.315 120.570 -0.118 0.000 2.163 551 I HA -0.334 3.836 4.170 0.000 0.000 0.243 551 I C 2.045 178.153 176.117 -0.016 0.000 1.085 551 I CA 1.509 62.717 61.300 -0.152 0.000 1.347 551 I CB -0.521 37.244 38.000 -0.392 0.000 1.044 551 I HN 0.313 nan 8.210 nan 0.000 0.408 552 D N 0.905 121.267 120.400 -0.063 0.000 2.104 552 D HA -0.162 4.478 4.640 0.000 0.000 0.194 552 D C 2.251 178.484 176.300 -0.112 0.000 0.994 552 D CA 1.376 55.337 54.000 -0.064 0.000 0.830 552 D CB -0.523 40.235 40.800 -0.069 0.000 0.959 552 D HN 0.301 nan 8.370 nan 0.000 0.452 553 L N -0.199 120.886 121.223 -0.230 0.000 2.127 553 L HA -0.116 4.224 4.340 0.000 0.000 0.211 553 L C 2.492 179.162 176.870 -0.333 0.000 1.089 553 L CA 1.018 55.503 54.840 -0.590 0.000 0.757 553 L CB -0.523 40.626 42.059 -1.517 0.000 0.899 553 L HN -0.034 nan 8.230 nan 0.000 0.434 554 M N -0.443 119.168 119.600 0.019 0.000 2.558 554 M HA 0.136 4.617 4.480 0.000 0.000 0.255 554 M C 0.956 177.345 176.300 0.148 0.000 1.113 554 M CA 0.821 56.261 55.300 0.234 0.000 1.097 554 M CB 0.157 32.955 32.600 0.330 0.000 1.426 554 M HN 0.451 nan 8.290 nan 0.000 0.488 555 G N 1.234 110.079 108.800 0.076 0.000 2.392 555 G HA2 0.109 4.069 3.960 0.000 0.000 0.215 555 G HA3 0.109 4.069 3.960 0.000 0.000 0.215 555 G C 0.214 175.161 174.900 0.079 0.000 1.097 555 G CA -0.161 44.976 45.100 0.062 0.000 0.840 555 G HN 0.879 nan 8.290 nan 0.000 0.492 556 G N -0.345 108.497 108.800 0.070 0.000 2.730 556 G HA2 0.180 4.140 3.960 0.000 0.000 0.686 556 G HA3 0.180 4.140 3.960 0.000 0.000 0.686 556 G C 0.908 175.883 174.900 0.126 0.000 1.343 556 G CA 0.425 45.568 45.100 0.072 0.000 0.826 556 G HN 1.625 nan 8.290 nan 0.000 0.582 557 K N 0.241 120.702 120.400 0.102 0.000 2.057 557 K HA -0.118 4.202 4.320 0.000 0.000 0.207 557 K C 2.001 178.743 176.600 0.237 0.000 1.049 557 K CA 1.909 58.288 56.287 0.153 0.000 0.931 557 K CB -0.084 32.472 32.500 0.093 0.000 0.714 557 K HN 0.681 nan 8.250 nan 0.000 0.440 558 E N 1.244 121.550 120.200 0.176 0.000 2.033 558 E HA -0.234 4.117 4.350 0.000 0.000 0.199 558 E C 2.148 178.864 176.600 0.194 0.000 1.011 558 E CA 1.865 58.368 56.400 0.173 0.000 0.815 558 E CB -0.140 29.639 29.700 0.131 0.000 0.755 558 E HN 0.377 nan 8.360 nan 0.000 0.451 559 M N -0.407 119.304 119.600 0.185 0.000 2.296 559 M HA -0.058 4.423 4.480 0.000 0.000 0.265 559 M C 2.010 178.445 176.300 0.225 0.000 1.064 559 M CA 0.942 56.349 55.300 0.178 0.000 1.109 559 M CB -0.141 32.548 32.600 0.148 0.000 1.396 559 M HN 0.235 nan 8.290 nan 0.000 0.430 560 F N 0.301 120.329 119.950 0.128 0.000 2.102 560 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 560 F C 1.975 177.877 175.800 0.169 0.000 1.105 560 F CA 1.519 59.614 58.000 0.158 0.000 1.239 560 F CB -0.242 38.837 39.000 0.132 0.000 0.991 560 F HN -0.218 nan 8.300 nan 0.000 0.474 561 V N -0.175 119.929 119.914 0.317 0.000 2.407 561 V HA -0.301 3.819 4.120 0.000 0.000 0.248 561 V C 2.305 178.499 176.094 0.168 0.000 1.055 561 V CA 2.330 64.767 62.300 0.228 0.000 1.049 561 V CB -1.068 30.939 31.823 0.306 0.000 0.662 561 V HN 0.442 nan 8.190 nan 0.000 0.455 562 T N -0.374 114.280 114.554 0.166 0.000 2.720 562 T HA -0.276 4.074 4.350 0.000 0.000 0.268 562 T C 1.875 176.663 174.700 0.147 0.000 1.037 562 T CA 2.150 64.341 62.100 0.152 0.000 1.144 562 T CB -0.300 68.652 68.868 0.140 0.000 0.864 562 T HN 0.296 nan 8.240 nan 0.000 0.444 563 M N 0.678 120.354 119.600 0.128 0.000 2.086 563 M HA 0.038 4.518 4.480 0.000 0.000 0.261 563 M C 2.137 178.588 176.300 0.252 0.000 1.067 563 M CA 1.609 57.027 55.300 0.196 0.000 1.116 563 M CB -0.467 32.195 32.600 0.103 0.000 1.348 563 M HN 0.170 nan 8.290 nan 0.000 0.407 564 M N -0.409 119.189 119.600 -0.003 0.000 2.065 564 M HA -0.261 4.219 4.480 0.000 0.000 0.259 564 M C 1.672 177.979 176.300 0.011 0.000 1.069 564 M CA 1.818 56.964 55.300 -0.257 0.000 1.110 564 M CB -1.109 31.067 32.600 -0.707 0.000 1.328 564 M HN 0.220 nan 8.290 nan 0.000 0.405 565 D N 0.542 121.050 120.400 0.179 0.000 2.149 565 D HA -0.118 4.522 4.640 0.000 0.000 0.198 565 D C 2.018 178.430 176.300 0.187 0.000 0.990 565 D CA 1.889 56.067 54.000 0.297 0.000 0.839 565 D CB -0.263 40.694 40.800 0.262 0.000 0.948 565 D HN 0.423 nan 8.370 nan 0.000 0.460 566 S N -0.318 115.434 115.700 0.088 0.000 2.515 566 S HA -0.032 4.438 4.470 0.000 0.000 0.231 566 S C 2.107 176.545 174.600 -0.269 0.000 0.987 566 S CA 0.149 58.323 58.200 -0.042 0.000 0.936 566 S CB -0.165 63.026 63.200 -0.016 0.000 0.766 566 S HN 0.043 nan 8.310 nan 0.000 0.528 567 V N 0.924 120.678 119.914 -0.267 0.000 2.343 567 V HA -0.109 4.011 4.120 0.000 0.000 0.247 567 V C 2.008 177.758 176.094 -0.574 0.000 1.051 567 V CA 1.836 63.837 62.300 -0.498 0.000 1.036 567 V CB -0.904 30.599 31.823 -0.534 0.000 0.654 567 V HN 0.551 nan 8.190 nan 0.000 0.451 568 F N 0.183 119.954 119.950 -0.299 0.000 2.416 568 F HA 0.172 4.699 4.527 0.000 0.000 0.296 568 F C 2.293 178.018 175.800 -0.126 0.000 1.099 568 F CA 0.902 58.712 58.000 -0.316 0.000 1.427 568 F CB -0.702 37.906 39.000 -0.653 0.000 1.079 568 F HN 0.075 nan 8.300 nan 0.000 0.536 569 A N 0.275 123.135 122.820 0.066 0.000 1.970 569 A HA 0.090 4.410 4.320 0.000 0.000 0.216 569 A C 1.126 178.701 177.584 -0.015 0.000 1.170 569 A CA 0.835 52.910 52.037 0.063 0.000 0.645 569 A CB -1.000 18.040 19.000 0.065 0.000 0.816 569 A HN 0.095 nan 8.150 nan 0.000 0.447 570 V N -1.762 118.082 119.914 -0.117 0.000 2.732 570 V HA 0.466 4.586 4.120 0.000 0.000 0.297 570 V C -2.550 173.485 176.094 -0.097 0.000 1.060 570 V CA -2.480 59.736 62.300 -0.140 0.000 1.038 570 V CB 0.756 32.412 31.823 -0.277 0.000 1.003 570 V HN 0.242 nan 8.190 nan 0.000 0.481 571 P HA 0.221 nan 4.420 nan 0.000 0.270 571 P C -2.581 174.710 177.300 -0.014 0.000 1.223 571 P CA -1.449 61.641 63.100 -0.017 0.000 0.785 571 P CB -0.271 31.424 31.700 -0.008 0.000 0.923 572 P HA 0.142 nan 4.420 nan 0.000 0.220 572 P C -0.011 177.405 177.300 0.193 0.000 1.806 572 P CA -0.234 62.925 63.100 0.098 0.000 0.976 572 P CB -0.328 31.434 31.700 0.103 0.000 1.952 573 I N 2.693 123.336 120.570 0.122 0.000 2.764 573 I HA 0.516 4.686 4.170 0.000 0.000 0.294 573 I C -0.209 176.049 176.117 0.234 0.000 1.045 573 I CA -1.594 59.766 61.300 0.100 0.000 1.340 573 I CB -0.148 37.834 38.000 -0.030 0.000 1.436 573 I HN 0.105 nan 8.210 nan 0.000 0.567 574 F N 3.130 123.116 119.950 0.061 0.000 2.713 574 F HA 0.532 5.058 4.527 -0.000 0.000 0.311 574 F C -1.604 174.251 175.800 0.091 0.000 1.141 574 F CA -1.173 56.906 58.000 0.133 0.000 0.939 574 F CB 1.050 40.096 39.000 0.076 0.000 1.325 574 F HN 0.364 nan 8.300 nan 0.000 0.453 575 D N 1.459 122.068 120.400 0.349 0.000 2.469 575 D HA 0.224 4.864 4.640 0.000 0.000 0.251 575 D C -0.635 175.897 176.300 0.387 0.000 1.173 575 D CA -0.372 53.766 54.000 0.229 0.000 0.882 575 D CB 1.300 42.206 40.800 0.177 0.000 1.129 575 D HN 0.703 nan 8.370 nan 0.000 0.549 576 D N 1.442 122.053 120.400 0.352 0.000 2.368 576 D HA -0.057 4.583 4.640 0.000 0.000 0.218 576 D C 1.070 177.559 176.300 0.315 0.000 1.112 576 D CA -0.113 54.108 54.000 0.370 0.000 0.834 576 D CB -0.044 40.939 40.800 0.304 0.000 0.953 576 D HN 0.217 nan 8.370 nan 0.000 0.505 577 S N -0.052 115.792 115.700 0.240 0.000 2.402 577 S HA -0.303 4.167 4.470 0.000 0.000 0.233 577 S C 1.844 176.542 174.600 0.162 0.000 1.030 577 S CA 0.749 59.050 58.200 0.169 0.000 1.003 577 S CB -1.074 62.208 63.200 0.136 0.000 0.813 577 S HN 0.456 nan 8.310 nan 0.000 0.477 578 Y N 1.174 121.503 120.300 0.049 0.000 2.439 578 Y HA 0.009 4.559 4.550 0.000 0.000 0.292 578 Y C 1.375 177.126 175.900 -0.247 0.000 1.130 578 Y CA 0.790 58.813 58.100 -0.127 0.000 1.254 578 Y CB -0.136 38.191 38.460 -0.222 0.000 1.000 578 Y HN 0.261 nan 8.280 nan 0.000 0.554 579 Y N -1.464 118.875 120.300 0.064 0.000 2.462 579 Y HA 0.308 4.858 4.550 0.000 0.000 0.253 579 Y C 2.126 178.012 175.900 -0.023 0.000 1.095 579 Y CA 0.313 58.396 58.100 -0.029 0.000 1.283 579 Y CB 0.341 38.826 38.460 0.042 0.000 1.138 579 Y HN 0.082 nan 8.280 nan 0.000 0.522 580 G N 0.521 109.407 108.800 0.144 0.000 2.284 580 G HA2 -0.296 3.664 3.960 0.000 0.000 0.261 580 G HA3 -0.296 3.664 3.960 0.000 0.000 0.261 580 G C 0.275 175.239 174.900 0.106 0.000 0.997 580 G CA 0.737 45.893 45.100 0.094 0.000 0.621 580 G HN 0.466 nan 8.290 nan 0.000 0.534 581 Q N -1.019 118.859 119.800 0.130 0.000 2.501 581 Q HA 0.664 5.004 4.340 0.000 0.000 0.288 581 Q C -0.666 175.356 176.000 0.036 0.000 1.051 581 Q CA -0.909 54.948 55.803 0.090 0.000 0.788 581 Q CB 1.983 30.779 28.738 0.095 0.000 1.469 581 Q HN 0.385 nan 8.270 nan 0.000 0.416 582 V N 3.569 123.480 119.914 -0.006 0.000 2.242 582 V HA 0.101 4.221 4.120 0.000 0.000 0.242 582 V C 0.773 176.719 176.094 -0.247 0.000 1.240 582 V CA -0.184 62.021 62.300 -0.157 0.000 1.211 582 V CB -1.691 30.058 31.823 -0.123 0.000 1.338 582 V HN 0.636 nan 8.190 nan 0.000 0.499 583 I N 0.772 121.120 120.570 -0.370 0.000 3.045 583 I HA 0.092 4.262 4.170 0.000 0.000 0.288 583 I C 1.868 177.726 176.117 -0.432 0.000 1.238 583 I CA -0.027 61.028 61.300 -0.409 0.000 1.396 583 I CB 0.130 37.749 38.000 -0.634 0.000 1.355 583 I HN 0.722 nan 8.210 nan 0.000 0.601 584 H N 2.210 121.065 119.070 -0.358 0.000 2.390 584 H HA -0.186 4.370 4.556 0.000 0.000 0.298 584 H C 1.512 176.689 175.328 -0.252 0.000 1.106 584 H CA 1.714 57.608 56.048 -0.257 0.000 1.297 584 H CB -0.461 29.199 29.762 -0.171 0.000 1.375 584 H HN 0.752 nan 8.280 nan 0.000 0.509 585 E N 1.106 120.795 120.200 -0.853 0.000 2.204 585 E HA -0.105 4.246 4.350 0.000 0.000 0.194 585 E C 2.194 178.532 176.600 -0.436 0.000 0.989 585 E CA 1.123 57.217 56.400 -0.510 0.000 0.824 585 E CB -0.188 29.261 29.700 -0.418 0.000 0.756 585 E HN 0.637 nan 8.360 nan 0.000 0.477 586 I N 0.992 121.081 120.570 -0.802 0.000 2.233 586 I HA -0.195 3.976 4.170 0.000 0.000 0.243 586 I C 2.809 178.535 176.117 -0.652 0.000 1.093 586 I CA 0.825 61.462 61.300 -1.105 0.000 1.380 586 I CB -0.194 36.865 38.000 -1.568 0.000 1.067 586 I HN 0.024 nan 8.210 nan 0.000 0.413 587 R N 1.657 121.864 120.500 -0.489 0.000 2.096 587 R HA -0.216 4.125 4.340 0.000 0.000 0.240 587 R C 1.989 178.187 176.300 -0.170 0.000 1.139 587 R CA 1.831 57.763 56.100 -0.279 0.000 0.952 587 R CB -0.446 29.754 30.300 -0.167 0.000 0.854 587 R HN 0.366 nan 8.270 nan 0.000 0.436 588 E N -0.429 119.687 120.200 -0.140 0.000 2.160 588 E HA -0.235 4.115 4.350 0.000 0.000 0.195 588 E C 1.949 178.509 176.600 -0.067 0.000 0.991 588 E CA 1.558 57.918 56.400 -0.067 0.000 0.810 588 E CB -0.218 29.461 29.700 -0.035 0.000 0.742 588 E HN 0.404 nan 8.360 nan 0.000 0.466 589 M N 0.838 120.386 119.600 -0.088 0.000 2.156 589 M HA -0.158 4.322 4.480 0.000 0.000 0.264 589 M C 2.482 178.771 176.300 -0.018 0.000 1.067 589 M CA 1.977 57.257 55.300 -0.034 0.000 1.131 589 M CB -0.290 32.342 32.600 0.054 0.000 1.368 589 M HN 0.193 nan 8.290 nan 0.000 0.416 590 T N -1.142 113.378 114.554 -0.055 0.000 2.788 590 T HA -0.110 4.240 4.350 0.000 0.000 0.268 590 T C 1.534 176.241 174.700 0.012 0.000 1.044 590 T CA 1.714 63.811 62.100 -0.005 0.000 1.139 590 T CB -1.489 67.374 68.868 -0.010 0.000 0.867 590 T HN 0.435 nan 8.240 nan 0.000 0.454 591 V N -1.407 118.505 119.914 -0.005 0.000 2.871 591 V HA 0.123 4.243 4.120 0.000 0.000 0.256 591 V C 2.506 178.611 176.094 0.018 0.000 1.082 591 V CA 0.804 63.108 62.300 0.008 0.000 1.105 591 V CB -1.047 30.775 31.823 -0.001 0.000 0.713 591 V HN 0.230 nan 8.190 nan 0.000 0.473 592 M N 0.766 120.378 119.600 0.020 0.000 2.319 592 M HA 0.066 4.547 4.480 0.000 0.000 0.265 592 M C 1.318 177.654 176.300 0.059 0.000 1.068 592 M CA 0.942 56.263 55.300 0.034 0.000 1.118 592 M CB -1.846 30.775 32.600 0.036 0.000 1.395 592 M HN 0.844 nan 8.290 nan 0.000 0.435 593 N N 0.689 119.426 118.700 0.062 0.000 2.756 593 N HA -0.181 4.559 4.740 0.000 0.000 0.248 593 N C -0.728 174.853 175.510 0.118 0.000 1.062 593 N CA 0.100 53.197 53.050 0.078 0.000 0.696 593 N CB -0.503 38.026 38.487 0.070 0.000 0.946 593 N HN 0.348 nan 8.380 nan 0.000 0.548 594 M N 0.871 120.545 119.600 0.123 0.000 3.200 594 M HA 0.215 4.695 4.480 0.000 0.000 0.335 594 M C 1.123 177.481 176.300 0.096 0.000 1.446 594 M CA 0.251 55.659 55.300 0.179 0.000 0.691 594 M CB 0.901 33.648 32.600 0.245 0.000 1.409 594 M HN 0.401 nan 8.290 nan 0.000 0.488 595 G N 1.875 110.708 108.800 0.055 0.000 2.634 595 G HA2 -0.323 3.638 3.960 0.000 0.000 0.309 595 G HA3 -0.323 3.638 3.960 0.000 0.000 0.309 595 G C 0.405 175.275 174.900 -0.051 0.000 1.265 595 G CA 0.385 45.465 45.100 -0.033 0.000 0.998 595 G HN 0.641 nan 8.290 nan 0.000 0.551 596 N N 0.085 118.698 118.700 -0.145 0.000 2.276 596 N HA 0.080 4.820 4.740 0.000 0.000 0.212 596 N C -0.099 175.396 175.510 -0.025 0.000 1.127 596 N CA -0.030 52.997 53.050 -0.037 0.000 0.834 596 N CB 0.209 38.618 38.487 -0.131 0.000 1.014 596 N HN 0.428 nan 8.380 nan 0.000 0.491 597 Y N 2.066 122.183 120.300 -0.305 0.000 2.620 597 Y HA 0.223 4.774 4.550 0.002 0.000 0.352 597 Y C 0.227 176.007 175.900 -0.199 0.000 1.140 597 Y CA -0.942 56.943 58.100 -0.359 0.000 1.529 597 Y CB -0.149 38.001 38.460 -0.517 0.000 1.321 597 Y HN -0.024 nan 8.280 nan 0.000 0.501 598 A N 5.877 128.312 122.820 -0.642 0.000 3.056 598 A HA 0.074 4.394 4.320 0.000 0.000 0.274 598 A C 1.407 178.590 177.584 -0.668 0.000 1.661 598 A CA -0.268 51.442 52.037 -0.544 0.000 1.363 598 A CB -0.993 17.669 19.000 -0.563 0.000 1.139 598 A HN 0.991 nan 8.150 nan 0.000 0.598 599 H N 1.766 120.345 119.070 -0.819 0.000 2.489 599 H HA -0.133 4.423 4.556 0.000 0.000 0.293 599 H C 1.888 176.952 175.328 -0.439 0.000 1.066 599 H CA 1.645 57.248 56.048 -0.741 0.000 1.305 599 H CB 0.210 29.675 29.762 -0.496 0.000 1.386 599 H HN 0.649 nan 8.280 nan 0.000 0.551 600 G N -0.001 108.634 108.800 -0.276 0.000 2.625 600 G HA2 -0.177 3.784 3.960 0.000 0.000 0.214 600 G HA3 -0.177 3.784 3.960 0.000 0.000 0.214 600 G C 0.436 175.230 174.900 -0.177 0.000 1.132 600 G CA 0.076 45.071 45.100 -0.175 0.000 0.782 600 G HN 0.271 nan 8.290 nan 0.000 0.538 601 N N -1.959 116.581 118.700 -0.267 0.000 2.321 601 N HA 0.370 5.110 4.740 0.000 0.000 0.290 601 N C 0.803 176.164 175.510 -0.249 0.000 1.212 601 N CA -0.670 52.279 53.050 -0.168 0.000 0.767 601 N CB 1.744 40.186 38.487 -0.076 0.000 1.494 601 N HN -0.199 nan 8.380 nan 0.000 0.479 602 Q N 0.534 120.246 119.800 -0.147 0.000 2.119 602 Q HA 0.081 4.422 4.340 0.000 0.000 0.201 602 Q C -1.155 174.657 176.000 -0.314 0.000 0.972 602 Q CA 1.770 57.396 55.803 -0.294 0.000 0.847 602 Q CB -0.839 27.610 28.738 -0.482 0.000 0.903 602 Q HN 0.592 nan 8.270 nan 0.000 0.433 603 P HA -0.161 nan 4.420 nan 0.000 0.216 603 P C 0.778 177.987 177.300 -0.153 0.000 1.150 603 P CA 1.167 64.075 63.100 -0.321 0.000 0.843 603 P CB 0.078 31.451 31.700 -0.546 0.000 0.787 604 I N -1.090 119.331 120.570 -0.248 0.000 3.812 604 I HA -0.004 4.166 4.170 0.000 0.000 0.320 604 I C 1.599 177.600 176.117 -0.194 0.000 1.276 604 I CA 0.372 61.525 61.300 -0.246 0.000 1.164 604 I CB -0.149 37.615 38.000 -0.393 0.000 1.009 604 I HN -0.080 nan 8.210 nan 0.000 0.431 605 Q N -0.140 119.594 119.800 -0.110 0.000 2.369 605 Q HA -0.182 4.159 4.340 0.000 0.000 0.206 605 Q C 1.649 177.837 176.000 0.314 0.000 0.963 605 Q CA 1.014 56.788 55.803 -0.049 0.000 0.894 605 Q CB 0.037 28.672 28.738 -0.171 0.000 0.965 605 Q HN 0.699 nan 8.270 nan 0.000 0.475 606 H N -1.230 117.969 119.070 0.214 0.000 2.595 606 H HA 0.124 4.681 4.556 0.001 0.000 0.265 606 H C 1.783 177.268 175.328 0.262 0.000 0.953 606 H CA 0.080 56.289 56.048 0.270 0.000 1.197 606 H CB -0.260 29.736 29.762 0.390 0.000 1.438 606 H HN 0.173 nan 8.280 nan 0.000 0.531 607 M N 1.466 120.771 119.600 -0.491 0.000 2.073 607 M HA -0.165 4.315 4.480 0.000 0.000 0.258 607 M C 1.901 178.037 176.300 -0.273 0.000 1.070 607 M CA 1.679 56.640 55.300 -0.565 0.000 1.103 607 M CB -0.303 31.895 32.600 -0.669 0.000 1.321 607 M HN 0.228 nan 8.290 nan 0.000 0.405 608 I N -0.417 120.102 120.570 -0.086 0.000 2.315 608 I HA -0.353 3.817 4.170 0.000 0.000 0.251 608 I C 1.946 178.098 176.117 0.058 0.000 1.125 608 I CA 1.660 62.945 61.300 -0.026 0.000 1.392 608 I CB -0.702 37.274 38.000 -0.039 0.000 1.065 608 I HN 0.341 nan 8.210 nan 0.000 0.424 609 Y N -0.258 120.131 120.300 0.148 0.000 2.421 609 Y HA -0.184 4.367 4.550 0.002 0.000 0.292 609 Y C 2.215 178.294 175.900 0.299 0.000 1.136 609 Y CA 0.404 58.648 58.100 0.241 0.000 1.255 609 Y CB -0.128 38.493 38.460 0.268 0.000 0.991 609 Y HN 0.088 nan 8.280 nan 0.000 0.552 610 L N -1.245 120.137 121.223 0.264 0.000 2.187 610 L HA -0.260 4.080 4.340 0.000 0.000 0.213 610 L C 1.770 178.827 176.870 0.311 0.000 1.100 610 L CA 1.485 56.450 54.840 0.208 0.000 0.765 610 L CB -1.428 40.649 42.059 0.030 0.000 0.904 610 L HN 0.265 nan 8.230 nan 0.000 0.437 611 Y N 0.189 120.619 120.300 0.217 0.000 2.228 611 Y HA -0.302 4.249 4.550 0.001 0.000 0.285 611 Y C 2.395 178.377 175.900 0.138 0.000 1.178 611 Y CA 1.562 59.747 58.100 0.142 0.000 1.202 611 Y CB -0.595 37.872 38.460 0.013 0.000 0.974 611 Y HN 0.281 nan 8.280 nan 0.000 0.527 612 D N -1.414 119.211 120.400 0.375 0.000 2.123 612 D HA -0.202 4.439 4.640 0.000 0.000 0.196 612 D C 1.826 178.236 176.300 0.182 0.000 0.992 612 D CA 1.447 55.597 54.000 0.250 0.000 0.833 612 D CB -0.576 40.380 40.800 0.259 0.000 0.954 612 D HN 0.371 nan 8.370 nan 0.000 0.455 613 Y N 0.304 120.662 120.300 0.097 0.000 2.497 613 Y HA 0.089 4.639 4.550 -0.001 0.000 0.292 613 Y C 2.046 177.913 175.900 -0.054 0.000 1.137 613 Y CA 0.702 58.806 58.100 0.006 0.000 1.285 613 Y CB -0.181 38.242 38.460 -0.061 0.000 0.991 613 Y HN -0.066 nan 8.280 nan 0.000 0.556 614 A N -0.821 122.082 122.820 0.139 0.000 2.423 614 A HA 0.512 4.832 4.320 0.000 0.000 0.246 614 A C 1.778 179.412 177.584 0.083 0.000 1.278 614 A CA 0.457 52.541 52.037 0.078 0.000 0.903 614 A CB -0.791 18.319 19.000 0.182 0.000 0.997 614 A HN 0.476 nan 8.150 nan 0.000 0.510 615 G N -0.594 108.245 108.800 0.065 0.000 2.160 615 G HA2 -0.243 3.717 3.960 0.000 0.000 0.244 615 G HA3 -0.243 3.717 3.960 0.000 0.000 0.244 615 G C -0.015 174.836 174.900 -0.082 0.000 1.022 615 G CA 0.425 45.557 45.100 0.053 0.000 0.741 615 G HN 0.599 nan 8.290 nan 0.000 0.508 616 Q N -0.721 118.904 119.800 -0.291 0.000 2.805 616 Q HA 0.191 4.531 4.340 0.000 0.000 0.360 616 Q C -1.640 173.860 176.000 -0.833 0.000 0.832 616 Q CA -1.427 53.699 55.803 -1.128 0.000 1.020 616 Q CB 1.730 29.880 28.738 -0.980 0.000 1.444 616 Q HN 0.331 nan 8.270 nan 0.000 0.391 617 P HA -0.191 nan 4.420 nan 0.000 0.221 617 P C 0.791 178.119 177.300 0.046 0.000 1.145 617 P CA 1.129 64.228 63.100 -0.001 0.000 0.795 617 P CB -0.110 31.687 31.700 0.163 0.000 0.775 618 W N 1.211 122.578 121.300 0.112 0.000 2.402 618 W HA 0.072 4.731 4.660 -0.003 0.000 0.286 618 W C 1.844 178.456 176.519 0.156 0.000 1.221 618 W CA 0.811 58.257 57.345 0.168 0.000 1.257 618 W CB -1.460 28.013 29.460 0.021 0.000 1.120 618 W HN -0.174 nan 8.180 nan 0.000 0.551 619 K N 0.698 120.795 120.400 -0.505 0.000 2.097 619 K HA -0.041 4.280 4.320 0.000 0.000 0.205 619 K C 2.466 178.845 176.600 -0.369 0.000 1.050 619 K CA 1.419 57.376 56.287 -0.551 0.000 0.938 619 K CB -0.444 31.331 32.500 -1.207 0.000 0.718 619 K HN 0.255 nan 8.250 nan 0.000 0.442 620 A N 1.471 124.161 122.820 -0.217 0.000 1.898 620 A HA -0.227 4.093 4.320 0.000 0.000 0.216 620 A C 2.041 179.627 177.584 0.004 0.000 1.181 620 A CA 1.309 53.362 52.037 0.026 0.000 0.620 620 A CB -0.448 18.622 19.000 0.115 0.000 0.819 620 A HN 0.286 nan 8.150 nan 0.000 0.442 621 Q N -1.825 118.023 119.800 0.080 0.000 2.061 621 Q HA -0.234 4.106 4.340 0.000 0.000 0.204 621 Q C 2.021 178.009 176.000 -0.020 0.000 0.984 621 Q CA 2.040 57.900 55.803 0.095 0.000 0.846 621 Q CB -0.464 28.428 28.738 0.257 0.000 0.902 621 Q HN 0.840 nan 8.270 nan 0.000 0.421 622 Y N -0.425 119.807 120.300 -0.112 0.000 2.097 622 Y HA -0.290 4.264 4.550 0.007 0.000 0.282 622 Y C 1.623 177.160 175.900 -0.605 0.000 1.152 622 Y CA 1.778 59.643 58.100 -0.392 0.000 1.136 622 Y CB -0.405 37.843 38.460 -0.354 0.000 0.975 622 Y HN 0.138 nan 8.280 nan 0.000 0.498 623 W N -0.596 120.531 121.300 -0.290 0.000 2.381 623 W HA -0.154 4.505 4.660 -0.002 0.000 0.301 623 W C 2.150 178.431 176.519 -0.396 0.000 1.205 623 W CA 0.301 57.380 57.345 -0.443 0.000 1.285 623 W CB -0.589 28.583 29.460 -0.480 0.000 1.133 623 W HN 0.091 nan 8.180 nan 0.000 0.521 624 L N 0.681 121.858 121.223 -0.076 0.000 2.013 624 L HA -0.248 4.093 4.340 0.000 0.000 0.212 624 L C 2.504 179.295 176.870 -0.131 0.000 1.073 624 L CA 1.888 56.687 54.840 -0.068 0.000 0.753 624 L CB -1.576 40.384 42.059 -0.166 0.000 0.890 624 L HN -0.028 nan 8.230 nan 0.000 0.432 625 R N -0.736 119.564 120.500 -0.332 0.000 2.096 625 R HA -0.130 4.210 4.340 0.000 0.000 0.235 625 R C 2.164 178.200 176.300 -0.440 0.000 1.127 625 R CA 1.141 56.983 56.100 -0.430 0.000 0.968 625 R CB -0.327 29.552 30.300 -0.703 0.000 0.861 625 R HN 0.380 nan 8.270 nan 0.000 0.440 626 Q N -0.002 119.466 119.800 -0.553 0.000 2.045 626 Q HA -0.143 4.197 4.340 0.000 0.000 0.206 626 Q C 2.161 178.077 176.000 -0.140 0.000 0.991 626 Q CA 2.048 57.612 55.803 -0.399 0.000 0.851 626 Q CB -0.644 27.871 28.738 -0.371 0.000 0.911 626 Q HN 0.294 nan 8.270 nan 0.000 0.418 627 V N 1.162 121.046 119.914 -0.049 0.000 2.255 627 V HA -0.292 3.828 4.120 0.000 0.000 0.247 627 V C 2.451 178.633 176.094 0.148 0.000 1.051 627 V CA 1.949 64.254 62.300 0.008 0.000 1.018 627 V CB -0.581 31.207 31.823 -0.057 0.000 0.641 627 V HN 0.361 nan 8.190 nan 0.000 0.445 628 M N -0.478 119.233 119.600 0.185 0.000 2.213 628 M HA -0.192 4.289 4.480 0.000 0.000 0.263 628 M C 1.812 178.248 176.300 0.226 0.000 1.062 628 M CA 1.711 57.176 55.300 0.276 0.000 1.105 628 M CB -0.501 32.103 32.600 0.006 0.000 1.385 628 M HN 0.339 nan 8.290 nan 0.000 0.417 629 D N -0.304 120.118 120.400 0.037 0.000 2.194 629 D HA -0.029 4.611 4.640 0.000 0.000 0.204 629 D C 1.942 178.254 176.300 0.019 0.000 0.964 629 D CA 1.060 55.053 54.000 -0.012 0.000 0.846 629 D CB 0.083 40.809 40.800 -0.124 0.000 0.962 629 D HN 0.358 nan 8.370 nan 0.000 0.490 630 R N -0.791 119.722 120.500 0.022 0.000 2.250 630 R HA 0.262 4.602 4.340 0.000 0.000 0.194 630 R C 1.482 177.781 176.300 -0.003 0.000 0.927 630 R CA 0.094 56.196 56.100 0.002 0.000 1.052 630 R CB 0.378 30.669 30.300 -0.014 0.000 1.055 630 R HN 0.062 nan 8.270 nan 0.000 0.537 631 M N -0.054 119.546 119.600 0.000 0.000 2.428 631 M HA 0.209 4.690 4.480 0.000 0.000 0.239 631 M C -0.631 175.452 176.300 -0.362 0.000 1.121 631 M CA 0.578 55.777 55.300 -0.168 0.000 1.019 631 M CB 0.174 32.603 32.600 -0.285 0.000 1.485 631 M HN -0.041 nan 8.290 nan 0.000 0.484 632 Y N 0.197 120.480 120.300 -0.028 0.000 2.386 632 Y HA 0.459 5.009 4.550 -0.000 0.000 0.334 632 Y C 0.373 176.181 175.900 -0.153 0.000 1.002 632 Y CA -1.018 57.000 58.100 -0.137 0.000 1.068 632 Y CB 1.792 40.131 38.460 -0.202 0.000 1.203 632 Y HN 0.043 nan 8.280 nan 0.000 0.443 633 T N -0.636 113.873 114.554 -0.076 0.000 2.883 633 T HA 0.428 4.778 4.350 0.000 0.000 0.301 633 T C -2.772 171.857 174.700 -0.119 0.000 1.158 633 T CA -2.356 59.701 62.100 -0.072 0.000 1.007 633 T CB 2.629 71.463 68.868 -0.058 0.000 1.186 633 T HN 0.292 nan 8.240 nan 0.000 0.499 634 P HA 0.236 nan 4.420 nan 0.000 0.257 634 P C 0.829 178.093 177.300 -0.061 0.000 1.281 634 P CA 0.031 63.093 63.100 -0.064 0.000 0.826 634 P CB -0.192 31.509 31.700 0.001 0.000 1.237 635 G N 1.539 110.289 108.800 -0.083 0.000 2.525 635 G HA2 0.273 4.233 3.960 0.000 0.000 0.287 635 G HA3 0.273 4.233 3.960 0.000 0.000 0.287 635 G C -1.700 173.116 174.900 -0.139 0.000 1.350 635 G CA -1.336 43.699 45.100 -0.108 0.000 1.039 635 G HN -0.144 nan 8.290 nan 0.000 0.513 636 P HA -0.025 nan 4.420 nan 0.000 0.218 636 P C 0.513 177.744 177.300 -0.116 0.000 1.148 636 P CA 1.233 64.165 63.100 -0.279 0.000 0.822 636 P CB 0.137 31.333 31.700 -0.840 0.000 0.784 637 D N -1.386 118.945 120.400 -0.115 0.000 3.072 637 D HA 0.129 4.770 4.640 0.000 0.000 0.250 637 D C 1.485 177.769 176.300 -0.027 0.000 1.304 637 D CA -0.425 53.559 54.000 -0.028 0.000 0.861 637 D CB -0.978 39.803 40.800 -0.031 0.000 1.062 637 D HN 0.041 nan 8.370 nan 0.000 0.481 638 G N -0.377 108.393 108.800 -0.050 0.000 2.403 638 G HA2 -0.119 3.841 3.960 0.000 0.000 0.216 638 G HA3 -0.119 3.841 3.960 0.000 0.000 0.216 638 G C 0.277 175.029 174.900 -0.246 0.000 1.154 638 G CA 0.384 45.381 45.100 -0.172 0.000 0.784 638 G HN 0.268 nan 8.290 nan 0.000 0.538 639 Y N -1.040 119.244 120.300 -0.028 0.000 2.344 639 Y HA 0.344 4.894 4.550 0.000 0.000 0.330 639 Y C 1.677 177.500 175.900 -0.127 0.000 1.330 639 Y CA -0.700 57.337 58.100 -0.105 0.000 1.479 639 Y CB 0.815 39.257 38.460 -0.030 0.000 1.428 639 Y HN 0.093 nan 8.280 nan 0.000 0.544 640 C N -1.872 117.429 119.300 0.001 0.000 3.000 640 C HA 0.851 5.311 4.460 0.000 0.000 0.286 640 C C 0.549 175.547 174.990 0.013 0.000 1.343 640 C CA 0.046 59.046 59.018 -0.029 0.000 1.742 640 C CB -1.159 26.516 27.740 -0.108 0.000 2.200 640 C HN 0.948 nan 8.230 nan 0.000 0.621 641 G N -0.282 108.555 108.800 0.060 0.000 2.428 641 G HA2 0.430 4.391 3.960 0.000 0.000 0.304 641 G HA3 0.430 4.391 3.960 0.000 0.000 0.304 641 G C -2.221 172.729 174.900 0.084 0.000 1.303 641 G CA -0.503 44.645 45.100 0.081 0.000 0.825 641 G HN 0.041 nan 8.290 nan 0.000 0.484 642 D N 0.486 120.964 120.400 0.130 0.000 2.455 642 D HA 0.157 4.797 4.640 0.000 0.000 0.241 642 D C 1.276 177.541 176.300 -0.058 0.000 1.138 642 D CA -0.166 53.889 54.000 0.091 0.000 0.877 642 D CB 1.751 42.685 40.800 0.222 0.000 1.187 642 D HN 0.437 nan 8.370 nan 0.000 0.451 643 E N 1.414 121.479 120.200 -0.225 0.000 2.150 643 E HA -0.179 4.172 4.350 0.000 0.000 0.193 643 E C -0.430 176.090 176.600 -0.132 0.000 0.985 643 E CA 0.601 56.758 56.400 -0.404 0.000 0.814 643 E CB 0.129 29.430 29.700 -0.665 0.000 0.752 643 E HN 0.399 nan 8.360 nan 0.000 0.466 644 D N 0.468 120.843 120.400 -0.041 0.000 2.746 644 D HA -0.215 4.426 4.640 0.000 0.000 0.241 644 D C -0.688 175.618 176.300 0.009 0.000 1.140 644 D CA 1.036 55.066 54.000 0.052 0.000 0.707 644 D CB -2.039 38.836 40.800 0.125 0.000 1.034 644 D HN 0.446 nan 8.370 nan 0.000 0.423 645 N N -1.197 117.448 118.700 -0.093 0.000 2.721 645 N HA -0.220 4.520 4.740 0.000 0.000 0.249 645 N C 1.112 176.679 175.510 0.094 0.000 1.072 645 N CA 1.484 54.459 53.050 -0.126 0.000 0.710 645 N CB -1.039 37.292 38.487 -0.261 0.000 0.993 645 N HN 0.757 nan 8.380 nan 0.000 0.547 646 G N -1.317 107.533 108.800 0.084 0.000 2.259 646 G HA2 -0.384 3.576 3.960 0.000 0.000 0.217 646 G HA3 -0.384 3.576 3.960 0.000 0.000 0.217 646 G C 0.679 175.671 174.900 0.153 0.000 1.001 646 G CA 0.733 45.906 45.100 0.121 0.000 0.627 646 G HN 0.455 nan 8.290 nan 0.000 0.501 647 Q N 1.264 121.146 119.800 0.136 0.000 1.993 647 Q HA 0.002 4.342 4.340 0.000 0.000 0.202 647 Q C 2.474 178.633 176.000 0.264 0.000 0.984 647 Q CA 3.215 59.121 55.803 0.172 0.000 0.837 647 Q CB -1.019 27.775 28.738 0.092 0.000 0.902 647 Q HN 0.489 nan 8.270 nan 0.000 0.423 648 T N 0.068 114.742 114.554 0.200 0.000 2.881 648 T HA -0.062 4.288 4.350 0.000 0.000 0.270 648 T C 1.910 176.938 174.700 0.547 0.000 1.068 648 T CA 1.204 63.489 62.100 0.308 0.000 1.131 648 T CB -0.245 68.705 68.868 0.137 0.000 0.871 648 T HN 0.244 nan 8.240 nan 0.000 0.479 649 S N 1.472 117.414 115.700 0.403 0.000 2.357 649 S HA 0.097 4.567 4.470 0.000 0.000 0.221 649 S C 2.628 177.449 174.600 0.369 0.000 1.031 649 S CA 0.765 59.226 58.200 0.436 0.000 0.982 649 S CB -0.508 62.864 63.200 0.286 0.000 0.853 649 S HN 0.580 nan 8.310 nan 0.000 0.458 650 A N 0.322 123.336 122.820 0.324 0.000 2.019 650 A HA -0.137 4.184 4.320 0.000 0.000 0.219 650 A C 1.765 179.640 177.584 0.485 0.000 1.164 650 A CA 1.201 53.420 52.037 0.305 0.000 0.644 650 A CB -0.988 18.188 19.000 0.293 0.000 0.805 650 A HN 0.728 nan 8.150 nan 0.000 0.449 651 W N -0.848 120.710 121.300 0.431 0.000 2.338 651 W HA -0.266 4.393 4.660 -0.001 0.000 0.304 651 W C 2.013 178.782 176.519 0.416 0.000 1.212 651 W CA 2.052 59.725 57.345 0.547 0.000 1.264 651 W CB -0.366 29.401 29.460 0.512 0.000 1.142 651 W HN 0.463 nan 8.180 nan 0.000 0.512 652 Y N 0.282 120.914 120.300 0.554 0.000 2.200 652 Y HA -0.252 4.298 4.550 0.000 0.000 0.290 652 Y C 2.297 178.211 175.900 0.023 0.000 1.137 652 Y CA 2.614 60.798 58.100 0.141 0.000 1.163 652 Y CB -0.789 37.454 38.460 -0.362 0.000 0.988 652 Y HN -0.173 nan 8.280 nan 0.000 0.518 653 V N -0.262 119.726 119.914 0.123 0.000 2.255 653 V HA -0.335 3.785 4.120 0.000 0.000 0.247 653 V C 2.122 178.171 176.094 -0.074 0.000 1.051 653 V CA 2.169 64.402 62.300 -0.110 0.000 1.018 653 V CB -1.036 30.621 31.823 -0.276 0.000 0.641 653 V HN 0.321 nan 8.190 nan 0.000 0.445 654 F N 1.084 120.982 119.950 -0.087 0.000 2.046 654 F HA -0.182 4.345 4.527 0.000 0.000 0.297 654 F C 2.790 178.383 175.800 -0.346 0.000 1.123 654 F CA 2.035 59.904 58.000 -0.218 0.000 1.199 654 F CB -0.896 38.050 39.000 -0.090 0.000 0.972 654 F HN 0.026 nan 8.300 nan 0.000 0.474 655 S N -0.111 115.487 115.700 -0.171 0.000 2.383 655 S HA -0.241 4.230 4.470 0.000 0.000 0.229 655 S C 2.282 176.710 174.600 -0.286 0.000 1.030 655 S CA 1.101 59.099 58.200 -0.335 0.000 1.002 655 S CB -0.830 61.846 63.200 -0.874 0.000 0.829 655 S HN 0.400 nan 8.310 nan 0.000 0.467 656 A N 1.146 123.774 122.820 -0.320 0.000 1.972 656 A HA 0.040 4.360 4.320 0.000 0.000 0.219 656 A C 2.065 179.581 177.584 -0.113 0.000 1.169 656 A CA 0.982 52.870 52.037 -0.249 0.000 0.635 656 A CB -0.582 18.350 19.000 -0.113 0.000 0.810 656 A HN 0.467 nan 8.150 nan 0.000 0.446 657 L N -1.997 119.127 121.223 -0.165 0.000 2.156 657 L HA 0.065 4.405 4.340 0.000 0.000 0.208 657 L C 1.891 178.600 176.870 -0.268 0.000 1.095 657 L CA 1.058 55.741 54.840 -0.262 0.000 0.770 657 L CB -0.232 41.517 42.059 -0.518 0.000 0.914 657 L HN 0.613 nan 8.230 nan 0.000 0.439 658 G N -0.734 107.890 108.800 -0.293 0.000 2.227 658 G HA2 -0.175 3.785 3.960 0.000 0.000 0.168 658 G HA3 -0.175 3.785 3.960 0.000 0.000 0.168 658 G C -0.058 174.960 174.900 0.197 0.000 1.006 658 G CA -0.134 44.960 45.100 -0.010 0.000 0.684 658 G HN 0.265 nan 8.290 nan 0.000 0.489 659 F N -1.811 118.255 119.950 0.192 0.000 2.686 659 F HA 0.858 5.384 4.527 -0.000 0.000 0.311 659 F C -1.034 174.824 175.800 0.096 0.000 1.128 659 F CA -2.494 55.615 58.000 0.180 0.000 0.946 659 F CB 1.195 40.294 39.000 0.165 0.000 1.336 659 F HN 0.173 nan 8.300 nan 0.000 0.457 660 Y N 1.272 121.477 120.300 -0.158 0.000 2.513 660 Y HA 0.564 5.114 4.550 0.001 0.000 0.340 660 Y C -2.866 172.772 175.900 -0.436 0.000 1.055 660 Y CA -2.442 55.289 58.100 -0.615 0.000 1.020 660 Y CB 3.230 40.968 38.460 -1.203 0.000 1.301 660 Y HN 0.434 nan 8.280 nan 0.000 0.453 661 P HA 0.080 nan 4.420 nan 0.000 0.238 661 P C 0.517 177.548 177.300 -0.448 0.000 1.794 661 P CA 0.293 62.991 63.100 -0.670 0.000 1.088 661 P CB 0.633 31.904 31.700 -0.714 0.000 1.923 662 V N 1.192 121.065 119.914 -0.067 0.000 2.282 662 V HA -0.215 3.905 4.120 0.000 0.000 0.249 662 V C 1.455 177.585 176.094 0.060 0.000 1.057 662 V CA 1.850 64.274 62.300 0.207 0.000 1.032 662 V CB -0.354 31.672 31.823 0.338 0.000 0.645 662 V HN 0.526 nan 8.190 nan 0.000 0.447 663 C N 2.144 121.423 119.300 -0.035 0.000 2.621 663 C HA 0.511 4.972 4.460 0.000 0.000 0.272 663 C C -2.573 172.357 174.990 -0.101 0.000 1.119 663 C CA -2.331 56.631 59.018 -0.092 0.000 1.593 663 C CB -0.408 27.280 27.740 -0.088 0.000 1.749 663 C HN 0.304 nan 8.230 nan 0.000 0.420 664 P HA 0.313 nan 4.420 nan 0.000 0.266 664 P C 0.886 178.250 177.300 0.106 0.000 1.195 664 P CA 1.813 64.908 63.100 -0.009 0.000 0.768 664 P CB 0.530 32.267 31.700 0.061 0.000 0.838 665 G N 0.931 109.769 108.800 0.063 0.000 2.278 665 G HA2 -0.181 3.779 3.960 0.000 0.000 0.210 665 G HA3 -0.181 3.779 3.960 0.000 0.000 0.210 665 G C 0.378 175.404 174.900 0.210 0.000 1.000 665 G CA 0.244 45.465 45.100 0.202 0.000 0.635 665 G HN 0.847 nan 8.290 nan 0.000 0.495 666 T N -0.884 113.702 114.554 0.053 0.000 2.897 666 T HA 0.533 4.883 4.350 0.000 0.000 0.278 666 T C 0.685 175.303 174.700 -0.137 0.000 0.981 666 T CA 0.601 62.667 62.100 -0.057 0.000 0.973 666 T CB 1.771 70.524 68.868 -0.192 0.000 1.092 666 T HN 0.352 nan 8.240 nan 0.000 0.543 667 D N -0.750 119.579 120.400 -0.119 0.000 2.460 667 D HA 0.126 4.766 4.640 0.000 0.000 0.229 667 D C -0.139 176.073 176.300 -0.147 0.000 1.170 667 D CA -0.333 53.595 54.000 -0.120 0.000 0.827 667 D CB -0.120 40.669 40.800 -0.017 0.000 0.973 667 D HN 0.698 nan 8.370 nan 0.000 0.496 668 E N 0.131 120.172 120.200 -0.265 0.000 2.183 668 E HA 0.321 4.671 4.350 0.000 0.000 0.271 668 E C -1.094 175.256 176.600 -0.417 0.000 0.919 668 E CA -0.858 55.431 56.400 -0.185 0.000 0.781 668 E CB 1.516 31.139 29.700 -0.128 0.000 1.140 668 E HN 0.145 nan 8.360 nan 0.000 0.402 669 Y N 0.725 121.063 120.300 0.062 0.000 2.334 669 Y HA 0.237 4.787 4.550 -0.000 0.000 0.336 669 Y C 0.106 176.086 175.900 0.134 0.000 0.960 669 Y CA -0.957 57.168 58.100 0.043 0.000 1.164 669 Y CB 1.080 39.564 38.460 0.041 0.000 1.155 669 Y HN 0.216 nan 8.280 nan 0.000 0.478 670 V N 4.631 124.676 119.914 0.217 0.000 2.715 670 V HA 0.044 4.164 4.120 0.000 0.000 0.299 670 V C 0.328 176.628 176.094 0.345 0.000 1.054 670 V CA -0.520 61.941 62.300 0.268 0.000 1.077 670 V CB 0.903 32.894 31.823 0.279 0.000 0.972 670 V HN 0.731 nan 8.190 nan 0.000 0.484 671 M N 4.196 124.031 119.600 0.390 0.000 2.162 671 M HA 0.533 5.013 4.480 0.000 0.000 0.356 671 M C 0.527 177.124 176.300 0.494 0.000 1.303 671 M CA 0.579 56.125 55.300 0.410 0.000 1.116 671 M CB 0.753 33.535 32.600 0.303 0.000 1.632 671 M HN 0.788 nan 8.290 nan 0.000 0.469 672 G N 1.562 110.667 108.800 0.508 0.000 3.434 672 G HA2 0.494 4.454 3.960 0.000 0.000 0.197 672 G HA3 0.494 4.454 3.960 0.000 0.000 0.197 672 G C -0.949 174.067 174.900 0.193 0.000 1.559 672 G CA -0.154 45.162 45.100 0.360 0.000 0.852 672 G HN 0.612 nan 8.290 nan 0.000 0.682 673 T N 1.738 116.353 114.554 0.102 0.000 3.032 673 T HA 0.593 4.943 4.350 0.000 0.000 0.312 673 T C -3.024 171.675 174.700 -0.002 0.000 1.078 673 T CA -1.136 61.001 62.100 0.062 0.000 1.028 673 T CB 2.115 71.010 68.868 0.044 0.000 1.091 673 T HN 0.225 nan 8.240 nan 0.000 0.457 674 P HA 0.238 nan 4.420 nan 0.000 0.275 674 P C 0.462 177.698 177.300 -0.106 0.000 1.227 674 P CA -0.533 62.545 63.100 -0.036 0.000 0.781 674 P CB 1.148 32.855 31.700 0.011 0.000 0.906 675 L N 2.445 123.543 121.223 -0.208 0.000 2.375 675 L HA 0.282 4.622 4.340 0.000 0.000 0.215 675 L C 0.276 176.824 176.870 -0.537 0.000 1.108 675 L CA 1.114 55.699 54.840 -0.426 0.000 0.830 675 L CB -0.340 41.320 42.059 -0.665 0.000 0.959 675 L HN 0.161 nan 8.230 nan 0.000 0.457 676 F N -0.931 118.943 119.950 -0.126 0.000 2.541 676 F HA 0.370 4.898 4.527 0.002 0.000 0.331 676 F C 1.530 177.292 175.800 -0.064 0.000 1.057 676 F CA -0.721 57.218 58.000 -0.103 0.000 0.975 676 F CB 0.907 39.822 39.000 -0.141 0.000 1.246 676 F HN -0.365 nan 8.300 nan 0.000 0.484 677 K N 0.291 120.797 120.400 0.176 0.000 2.288 677 K HA -0.022 4.298 4.320 0.000 0.000 0.201 677 K C 0.159 176.804 176.600 0.075 0.000 1.048 677 K CA 0.996 57.338 56.287 0.092 0.000 0.956 677 K CB 0.258 32.807 32.500 0.081 0.000 0.746 677 K HN 0.421 nan 8.250 nan 0.000 0.461 678 K N -0.143 120.309 120.400 0.086 0.000 2.561 678 K HA 0.391 4.711 4.320 0.000 0.000 0.254 678 K C -2.123 174.452 176.600 -0.042 0.000 0.942 678 K CA -0.411 55.888 56.287 0.021 0.000 0.818 678 K CB 2.059 34.567 32.500 0.013 0.000 1.306 678 K HN -0.039 nan 8.250 nan 0.000 0.435 679 A N 2.208 124.985 122.820 -0.072 0.000 2.386 679 A HA 0.733 5.054 4.320 0.000 0.000 0.311 679 A C -1.143 176.351 177.584 -0.150 0.000 1.068 679 A CA -0.597 51.346 52.037 -0.155 0.000 0.743 679 A CB 1.933 20.838 19.000 -0.158 0.000 1.258 679 A HN 0.551 nan 8.150 nan 0.000 0.429 680 T N 2.791 117.219 114.554 -0.209 0.000 2.841 680 T HA 0.563 4.913 4.350 0.000 0.000 0.285 680 T C -0.582 173.837 174.700 -0.469 0.000 0.991 680 T CA -0.278 61.643 62.100 -0.298 0.000 0.966 680 T CB 0.741 69.446 68.868 -0.273 0.000 0.962 680 T HN 0.478 nan 8.240 nan 0.000 0.438 681 L N 3.804 124.690 121.223 -0.562 0.000 2.317 681 L HA 0.522 4.862 4.340 0.000 0.000 0.281 681 L C -0.136 176.098 176.870 -1.061 0.000 1.024 681 L CA -1.017 53.369 54.840 -0.757 0.000 0.810 681 L CB 0.980 42.578 42.059 -0.767 0.000 1.240 681 L HN 0.589 nan 8.230 nan 0.000 0.427 682 H N 3.663 122.374 119.070 -0.598 0.000 2.638 682 H HA 0.358 4.914 4.556 0.001 0.000 0.303 682 H C -0.638 174.396 175.328 -0.490 0.000 1.034 682 H CA -0.487 55.283 56.048 -0.465 0.000 1.225 682 H CB 0.903 30.522 29.762 -0.238 0.000 1.394 682 H HN 0.295 nan 8.280 nan 0.000 0.477 683 F N 0.732 120.651 119.950 -0.051 0.000 2.380 683 F HA 0.113 4.640 4.527 -0.000 0.000 0.325 683 F C 1.984 177.677 175.800 -0.179 0.000 1.136 683 F CA -0.583 57.310 58.000 -0.177 0.000 1.171 683 F CB 0.897 39.688 39.000 -0.348 0.000 1.230 683 F HN 0.455 nan 8.300 nan 0.000 0.554 684 E N 0.560 120.748 120.200 -0.019 0.000 2.267 684 E HA -0.247 4.103 4.350 0.000 0.000 0.197 684 E C 1.379 177.940 176.600 -0.065 0.000 0.998 684 E CA 1.388 57.764 56.400 -0.040 0.000 0.830 684 E CB -0.402 29.279 29.700 -0.030 0.000 0.751 684 E HN 0.708 nan 8.360 nan 0.000 0.491 685 N N -0.619 117.997 118.700 -0.139 0.000 2.521 685 N HA -0.043 4.697 4.740 0.000 0.000 0.188 685 N C 1.291 176.776 175.510 -0.042 0.000 1.146 685 N CA 0.519 53.491 53.050 -0.129 0.000 0.893 685 N CB 0.475 38.809 38.487 -0.255 0.000 0.975 685 N HN 0.144 nan 8.380 nan 0.000 0.451 686 G N 0.123 108.925 108.800 0.003 0.000 2.234 686 G HA2 -0.248 3.712 3.960 0.000 0.000 0.235 686 G HA3 -0.248 3.712 3.960 0.000 0.000 0.235 686 G C -0.232 174.711 174.900 0.071 0.000 0.997 686 G CA -0.207 44.910 45.100 0.029 0.000 0.623 686 G HN 0.410 nan 8.290 nan 0.000 0.514 687 N N 0.768 119.536 118.700 0.113 0.000 2.463 687 N HA 0.671 5.411 4.740 0.000 0.000 0.270 687 N C -0.150 175.487 175.510 0.210 0.000 1.205 687 N CA 0.374 53.527 53.050 0.171 0.000 0.974 687 N CB 1.332 39.934 38.487 0.192 0.000 1.197 687 N HN 0.279 nan 8.380 nan 0.000 0.504 688 S N 0.289 116.080 115.700 0.153 0.000 2.568 688 S HA 0.515 4.985 4.470 0.000 0.000 0.293 688 S C -1.039 173.593 174.600 0.053 0.000 1.089 688 S CA -0.780 57.416 58.200 -0.007 0.000 0.945 688 S CB 1.717 64.909 63.200 -0.014 0.000 1.077 688 S HN 0.364 nan 8.310 nan 0.000 0.485 689 L N 3.131 124.313 121.223 -0.069 0.000 2.376 689 L HA 0.640 4.981 4.340 0.000 0.000 0.275 689 L C -1.543 175.281 176.870 -0.077 0.000 0.987 689 L CA -0.573 54.294 54.840 0.046 0.000 0.828 689 L CB 1.436 43.641 42.059 0.243 0.000 1.249 689 L HN 0.496 nan 8.230 nan 0.000 0.409 690 V N 6.525 126.414 119.914 -0.042 0.000 2.398 690 V HA 0.424 4.544 4.120 0.000 0.000 0.286 690 V C 0.329 176.390 176.094 -0.054 0.000 1.026 690 V CA -0.392 61.871 62.300 -0.062 0.000 0.868 690 V CB 1.926 33.729 31.823 -0.033 0.000 0.982 690 V HN 0.552 nan 8.190 nan 0.000 0.443 691 I N 4.416 124.953 120.570 -0.055 0.000 2.337 691 I HA 0.320 4.490 4.170 0.000 0.000 0.285 691 I C -0.246 175.858 176.117 -0.022 0.000 1.041 691 I CA -0.240 61.034 61.300 -0.042 0.000 1.199 691 I CB 0.849 38.844 38.000 -0.009 0.000 1.370 691 I HN 0.481 nan 8.210 nan 0.000 0.470 692 D N 6.466 126.855 120.400 -0.018 0.000 2.313 692 D HA 0.406 5.046 4.640 0.000 0.000 0.239 692 D C -0.057 176.247 176.300 0.007 0.000 1.142 692 D CA 0.059 54.059 54.000 -0.001 0.000 0.847 692 D CB 2.041 42.843 40.800 0.003 0.000 1.082 692 D HN 0.593 nan 8.370 nan 0.000 0.480 693 A N 4.989 127.819 122.820 0.017 0.000 3.297 693 A HA 0.313 4.633 4.320 0.000 0.000 0.304 693 A C -1.600 175.997 177.584 0.021 0.000 0.963 693 A CA -0.872 51.176 52.037 0.019 0.000 0.935 693 A CB 0.735 19.747 19.000 0.021 0.000 1.093 693 A HN 0.272 nan 8.150 nan 0.000 0.480 694 P HA -0.203 nan 4.420 nan 0.000 0.218 694 P C 0.694 178.003 177.300 0.015 0.000 1.146 694 P CA 1.174 64.286 63.100 0.020 0.000 0.813 694 P CB 0.100 31.810 31.700 0.017 0.000 0.778 695 N N -0.912 117.793 118.700 0.009 0.000 2.268 695 N HA -0.004 4.736 4.740 0.000 0.000 0.204 695 N C 0.344 175.852 175.510 -0.004 0.000 1.124 695 N CA -0.345 52.706 53.050 0.002 0.000 0.838 695 N CB -0.119 38.367 38.487 -0.002 0.000 0.994 695 N HN -0.043 nan 8.380 nan 0.000 0.489 696 N N 1.009 119.708 118.700 -0.001 0.000 2.441 696 N HA -0.010 4.730 4.740 0.000 0.000 0.251 696 N C -0.536 174.963 175.510 -0.019 0.000 1.242 696 N CA 0.559 53.602 53.050 -0.012 0.000 0.898 696 N CB 1.017 39.495 38.487 -0.014 0.000 1.100 696 N HN 0.292 nan 8.380 nan 0.000 0.443 697 S N -0.127 115.557 115.700 -0.025 0.000 2.661 697 S HA 0.287 4.757 4.470 0.000 0.000 0.268 697 S C 0.684 175.274 174.600 -0.017 0.000 1.162 697 S CA -0.510 57.676 58.200 -0.024 0.000 0.817 697 S CB 0.497 63.687 63.200 -0.018 0.000 1.141 697 S HN 0.363 nan 8.310 nan 0.000 0.477 698 T N 1.170 115.714 114.554 -0.017 0.000 2.915 698 T HA 0.039 4.389 4.350 0.000 0.000 0.269 698 T C 1.170 175.918 174.700 0.080 0.000 1.071 698 T CA 1.971 64.068 62.100 -0.004 0.000 1.132 698 T CB -0.400 68.454 68.868 -0.022 0.000 0.878 698 T HN 0.626 nan 8.240 nan 0.000 0.479 699 E N 1.376 121.608 120.200 0.053 0.000 2.140 699 E HA 0.117 4.467 4.350 0.000 0.000 0.191 699 E C 0.640 177.194 176.600 -0.075 0.000 0.973 699 E CA 0.457 56.886 56.400 0.048 0.000 0.829 699 E CB -0.049 29.648 29.700 -0.004 0.000 0.781 699 E HN 0.501 nan 8.360 nan 0.000 0.466 700 N N 0.976 119.635 118.700 -0.069 0.000 3.188 700 N HA 0.099 4.839 4.740 0.000 0.000 0.279 700 N C -0.525 174.907 175.510 -0.130 0.000 1.213 700 N CA -0.224 52.739 53.050 -0.145 0.000 1.138 700 N CB 0.093 38.540 38.487 -0.068 0.000 1.417 700 N HN 0.148 nan 8.380 nan 0.000 0.526 701 F N -1.838 118.006 119.950 -0.176 0.000 2.678 701 F HA 0.407 4.933 4.527 -0.002 0.000 0.305 701 F C -0.389 175.256 175.800 -0.260 0.000 1.090 701 F CA -0.927 56.922 58.000 -0.252 0.000 1.272 701 F CB -0.294 38.489 39.000 -0.362 0.000 1.060 701 F HN 0.004 nan 8.300 nan 0.000 0.576 702 Y N 2.021 122.166 120.300 -0.259 0.000 2.310 702 Y HA 0.490 5.040 4.550 0.001 0.000 0.326 702 Y C 0.430 176.314 175.900 -0.027 0.000 1.151 702 Y CA -1.715 56.327 58.100 -0.095 0.000 1.195 702 Y CB 0.939 39.287 38.460 -0.186 0.000 1.210 702 Y HN -0.095 nan 8.280 nan 0.000 0.483 703 I N 3.371 124.076 120.570 0.226 0.000 2.312 703 I HA 0.025 4.195 4.170 0.000 0.000 0.291 703 I C 0.918 177.106 176.117 0.118 0.000 1.031 703 I CA 0.103 61.490 61.300 0.145 0.000 1.293 703 I CB 0.896 38.987 38.000 0.152 0.000 1.403 703 I HN 0.792 nan 8.210 nan 0.000 0.484 704 D N 4.070 124.510 120.400 0.067 0.000 2.201 704 D HA -0.031 4.609 4.640 0.000 0.000 0.209 704 D C 0.404 176.726 176.300 0.037 0.000 0.961 704 D CA 0.868 54.886 54.000 0.029 0.000 0.861 704 D CB 0.715 41.514 40.800 -0.001 0.000 0.997 704 D HN 0.592 nan 8.370 nan 0.000 0.486 705 S N -0.901 114.827 115.700 0.046 0.000 2.596 705 S HA 0.641 5.112 4.470 0.000 0.000 0.270 705 S C -0.791 173.849 174.600 0.066 0.000 1.155 705 S CA -0.950 57.282 58.200 0.054 0.000 0.827 705 S CB 2.707 65.930 63.200 0.038 0.000 1.130 705 S HN 0.116 nan 8.310 nan 0.000 0.467 706 M N 2.292 121.943 119.600 0.085 0.000 2.371 706 M HA 0.537 5.017 4.480 0.000 0.000 0.287 706 M C -1.506 174.865 176.300 0.118 0.000 1.149 706 M CA -0.200 55.154 55.300 0.089 0.000 0.929 706 M CB 2.306 34.977 32.600 0.118 0.000 1.683 706 M HN 1.108 nan 8.290 nan 0.000 0.470 707 S N 2.919 118.669 115.700 0.084 0.000 2.548 707 S HA 0.736 5.206 4.470 0.000 0.000 0.286 707 S C -1.485 173.193 174.600 0.130 0.000 1.098 707 S CA -0.650 57.626 58.200 0.127 0.000 0.930 707 S CB 2.043 65.302 63.200 0.098 0.000 1.070 707 S HN 0.562 nan 8.310 nan 0.000 0.480 708 F N 2.699 122.653 119.950 0.007 0.000 2.366 708 F HA 0.472 4.999 4.527 0.000 0.000 0.366 708 F C 0.209 176.005 175.800 -0.005 0.000 1.096 708 F CA -1.381 56.594 58.000 -0.043 0.000 1.060 708 F CB -0.431 38.512 39.000 -0.095 0.000 1.282 708 F HN 0.973 nan 8.300 nan 0.000 0.450 709 N N 3.630 122.556 118.700 0.377 0.000 2.740 709 N HA -0.194 4.547 4.740 0.000 0.000 0.248 709 N C 1.029 176.601 175.510 0.104 0.000 1.062 709 N CA 0.904 54.062 53.050 0.181 0.000 0.704 709 N CB -1.027 37.516 38.487 0.092 0.000 0.968 709 N HN 1.129 nan 8.380 nan 0.000 0.547 710 G N -1.811 107.053 108.800 0.107 0.000 2.299 710 G HA2 -0.255 3.705 3.960 0.000 0.000 0.237 710 G HA3 -0.255 3.705 3.960 0.000 0.000 0.237 710 G C 0.356 175.300 174.900 0.072 0.000 1.027 710 G CA 0.359 45.502 45.100 0.073 0.000 0.619 710 G HN 1.087 nan 8.290 nan 0.000 0.513 711 A N 0.437 123.307 122.820 0.084 0.000 2.425 711 A HA 0.531 4.852 4.320 0.000 0.000 0.249 711 A C 0.238 177.895 177.584 0.121 0.000 1.084 711 A CA 0.783 52.868 52.037 0.080 0.000 0.781 711 A CB 0.344 19.380 19.000 0.061 0.000 1.019 711 A HN 0.593 nan 8.150 nan 0.000 0.490 712 D N 0.269 120.725 120.400 0.092 0.000 2.389 712 D HA 0.148 4.788 4.640 0.000 0.000 0.247 712 D C -0.299 176.083 176.300 0.138 0.000 1.128 712 D CA 0.673 54.734 54.000 0.101 0.000 0.884 712 D CB 0.257 41.091 40.800 0.057 0.000 1.194 712 D HN 0.494 nan 8.370 nan 0.000 0.441 713 H N 2.743 121.843 119.070 0.050 0.000 2.866 713 H HA 0.181 4.737 4.556 0.000 0.000 0.287 713 H C 0.282 175.623 175.328 0.021 0.000 1.106 713 H CA -0.114 55.960 56.048 0.043 0.000 1.396 713 H CB 0.875 30.684 29.762 0.079 0.000 1.469 713 H HN 0.500 nan 8.280 nan 0.000 0.500 714 T N 0.377 114.825 114.554 -0.177 0.000 3.060 714 T HA 0.146 4.496 4.350 0.000 0.000 0.249 714 T C 0.974 175.589 174.700 -0.143 0.000 1.079 714 T CA 0.248 62.299 62.100 -0.083 0.000 1.013 714 T CB -0.049 68.793 68.868 -0.042 0.000 0.975 714 T HN 0.558 nan 8.240 nan 0.000 0.518 715 K N 1.344 121.481 120.400 -0.439 0.000 2.380 715 K HA 0.273 4.593 4.320 0.000 0.000 0.267 715 K C 0.407 176.952 176.600 -0.091 0.000 0.990 715 K CA 0.161 56.222 56.287 -0.377 0.000 0.946 715 K CB -0.667 31.350 32.500 -0.806 0.000 0.937 715 K HN 0.607 nan 8.250 nan 0.000 0.491 716 N N -0.023 118.707 118.700 0.049 0.000 2.313 716 N HA 0.204 4.944 4.740 0.000 0.000 0.207 716 N C -0.918 174.769 175.510 0.295 0.000 1.141 716 N CA -0.023 53.136 53.050 0.182 0.000 0.830 716 N CB -0.165 38.420 38.487 0.163 0.000 1.008 716 N HN 0.725 nan 8.380 nan 0.000 0.481 717 Y N -2.192 118.211 120.300 0.170 0.000 2.638 717 Y HA 0.571 5.121 4.550 -0.000 0.000 0.335 717 Y C -1.755 174.277 175.900 0.219 0.000 1.155 717 Y CA -1.480 56.718 58.100 0.163 0.000 1.046 717 Y CB 0.919 39.431 38.460 0.087 0.000 1.303 717 Y HN -0.325 nan 8.280 nan 0.000 0.460 718 L N 2.357 123.728 121.223 0.247 0.000 2.333 718 L HA 0.714 5.054 4.340 0.000 0.000 0.269 718 L C -0.486 176.580 176.870 0.327 0.000 1.010 718 L CA -1.160 53.765 54.840 0.142 0.000 0.818 718 L CB 2.320 44.274 42.059 -0.176 0.000 1.306 718 L HN 0.686 nan 8.230 nan 0.000 0.430 719 R N -0.632 120.033 120.500 0.276 0.000 2.460 719 R HA 0.230 4.570 4.340 0.000 0.000 0.303 719 R C 0.598 177.001 176.300 0.171 0.000 0.968 719 R CA -0.584 55.668 56.100 0.253 0.000 0.889 719 R CB 1.622 32.056 30.300 0.223 0.000 1.123 719 R HN 0.512 nan 8.270 nan 0.000 0.455 720 H N 1.855 120.978 119.070 0.089 0.000 2.292 720 H HA -0.230 4.326 4.556 0.000 0.000 0.292 720 H C 0.928 176.061 175.328 -0.326 0.000 1.100 720 H CA 2.490 58.478 56.048 -0.100 0.000 1.238 720 H CB 0.506 30.169 29.762 -0.166 0.000 1.355 720 H HN 0.609 nan 8.280 nan 0.000 0.484 721 E N 0.078 120.252 120.200 -0.043 0.000 2.153 721 E HA -0.126 4.224 4.350 0.000 0.000 0.194 721 E C 1.912 178.484 176.600 -0.048 0.000 0.988 721 E CA 1.180 57.556 56.400 -0.040 0.000 0.811 721 E CB -0.089 29.634 29.700 0.038 0.000 0.746 721 E HN 0.581 nan 8.360 nan 0.000 0.466 722 D N 0.022 120.407 120.400 -0.026 0.000 2.097 722 D HA -0.099 4.541 4.640 0.000 0.000 0.197 722 D C 1.992 178.331 176.300 0.064 0.000 0.984 722 D CA 0.741 54.732 54.000 -0.016 0.000 0.826 722 D CB -0.138 40.680 40.800 0.029 0.000 0.973 722 D HN 0.182 nan 8.370 nan 0.000 0.460 723 L N 0.016 121.238 121.223 -0.001 0.000 2.017 723 L HA -0.168 4.172 4.340 0.000 0.000 0.208 723 L C 2.460 179.218 176.870 -0.187 0.000 1.073 723 L CA 0.758 55.567 54.840 -0.052 0.000 0.745 723 L CB -0.414 41.472 42.059 -0.287 0.000 0.894 723 L HN -0.018 nan 8.230 nan 0.000 0.432 724 F N 0.884 120.463 119.950 -0.618 0.000 2.307 724 F HA -0.184 4.343 4.527 0.001 0.000 0.301 724 F C 2.389 178.022 175.800 -0.279 0.000 1.076 724 F CA 1.039 58.597 58.000 -0.737 0.000 1.383 724 F CB -0.722 37.963 39.000 -0.526 0.000 1.055 724 F HN 0.072 nan 8.300 nan 0.000 0.526 725 K N -0.162 120.265 120.400 0.046 0.000 2.362 725 K HA 0.128 4.448 4.320 0.000 0.000 0.200 725 K C 1.325 177.990 176.600 0.108 0.000 1.046 725 K CA 0.581 56.901 56.287 0.055 0.000 0.952 725 K CB -0.443 32.063 32.500 0.009 0.000 0.753 725 K HN 0.356 nan 8.250 nan 0.000 0.466 726 G N 0.101 109.014 108.800 0.188 0.000 2.698 726 G HA2 -0.022 3.938 3.960 0.000 0.000 0.233 726 G HA3 -0.022 3.938 3.960 0.000 0.000 0.233 726 G C 0.270 175.301 174.900 0.218 0.000 1.352 726 G CA -0.326 44.928 45.100 0.257 0.000 0.879 726 G HN 0.663 nan 8.290 nan 0.000 0.567 727 G N -3.038 105.865 108.800 0.173 0.000 2.418 727 G HA2 0.468 4.429 3.960 0.000 0.000 0.206 727 G HA3 0.468 4.429 3.960 0.000 0.000 0.206 727 G C -0.145 174.835 174.900 0.134 0.000 1.202 727 G CA 0.583 45.773 45.100 0.150 0.000 1.061 727 G HN 2.229 nan 8.290 nan 0.000 0.563 728 T N 0.543 115.184 114.554 0.146 0.000 2.861 728 T HA 0.674 5.024 4.350 0.000 0.000 0.287 728 T C -0.187 174.539 174.700 0.044 0.000 1.003 728 T CA -0.249 61.896 62.100 0.074 0.000 0.977 728 T CB 1.485 70.387 68.868 0.057 0.000 0.996 728 T HN 0.606 nan 8.240 nan 0.000 0.448 729 I N 2.632 123.143 120.570 -0.098 0.000 2.378 729 I HA 0.461 4.631 4.170 0.000 0.000 0.291 729 I C -0.107 175.953 176.117 -0.095 0.000 0.992 729 I CA -0.834 60.339 61.300 -0.211 0.000 1.154 729 I CB 1.874 39.605 38.000 -0.448 0.000 1.315 729 I HN 0.285 nan 8.210 nan 0.000 0.448 730 K N 4.990 125.359 120.400 -0.051 0.000 2.206 730 K HA 0.642 4.962 4.320 0.000 0.000 0.264 730 K C -1.362 175.233 176.600 -0.009 0.000 0.967 730 K CA -0.454 55.825 56.287 -0.014 0.000 0.844 730 K CB 1.724 34.232 32.500 0.014 0.000 1.099 730 K HN 0.317 nan 8.250 nan 0.000 0.441 731 V N 3.600 123.514 119.914 0.001 0.000 2.409 731 V HA 0.187 4.307 4.120 0.000 0.000 0.290 731 V C -0.815 175.293 176.094 0.022 0.000 1.017 731 V CA -1.005 61.305 62.300 0.017 0.000 0.841 731 V CB 1.482 33.318 31.823 0.021 0.000 1.003 731 V HN 0.744 nan 8.190 nan 0.000 0.426 732 D N 5.792 126.208 120.400 0.027 0.000 2.352 732 D HA 0.303 4.943 4.640 0.000 0.000 0.245 732 D C 0.061 176.374 176.300 0.023 0.000 1.224 732 D CA -0.152 53.860 54.000 0.021 0.000 0.879 732 D CB 0.940 41.751 40.800 0.018 0.000 1.057 732 D HN 0.255 nan 8.370 nan 0.000 0.491 733 M N 1.082 120.690 119.600 0.014 0.000 2.250 733 M HA 0.237 4.717 4.480 0.000 0.000 0.344 733 M C 0.581 176.876 176.300 -0.008 0.000 1.150 733 M CA -0.279 55.026 55.300 0.009 0.000 1.147 733 M CB 1.083 33.681 32.600 -0.003 0.000 1.498 733 M HN 0.158 nan 8.290 nan 0.000 0.461 734 S N 1.032 116.724 115.700 -0.013 0.000 2.618 734 S HA 0.525 4.995 4.470 0.000 0.000 0.277 734 S C 0.175 174.733 174.600 -0.071 0.000 1.138 734 S CA -0.691 57.489 58.200 -0.034 0.000 0.844 734 S CB 1.173 64.355 63.200 -0.030 0.000 1.127 734 S HN 0.746 nan 8.310 nan 0.000 0.474 735 N N 1.340 119.989 118.700 -0.084 0.000 2.280 735 N HA 0.122 4.862 4.740 0.000 0.000 0.192 735 N C -0.042 175.453 175.510 -0.024 0.000 1.109 735 N CA -0.277 52.696 53.050 -0.128 0.000 0.855 735 N CB -0.104 38.321 38.487 -0.104 0.000 0.974 735 N HN 0.639 nan 8.380 nan 0.000 0.482 736 R N 0.040 120.498 120.500 -0.070 0.000 2.686 736 R HA 0.573 4.913 4.340 0.000 0.000 0.286 736 R C -3.188 172.740 176.300 -0.621 0.000 0.969 736 R CA -1.750 54.184 56.100 -0.276 0.000 0.898 736 R CB 0.977 31.144 30.300 -0.221 0.000 1.183 736 R HN -0.105 nan 8.270 nan 0.000 0.456 737 P HA 0.014 nan 4.420 nan 0.000 0.271 737 P C -0.774 176.137 177.300 -0.648 0.000 1.218 737 P CA -0.348 62.013 63.100 -1.232 0.000 0.780 737 P CB 0.577 31.529 31.700 -1.247 0.000 0.901 738 N N 2.911 121.358 118.700 -0.421 0.000 2.527 738 N HA 0.078 4.818 4.740 0.000 0.000 0.236 738 N C 0.582 175.838 175.510 -0.424 0.000 0.999 738 N CA -0.354 52.505 53.050 -0.318 0.000 0.935 738 N CB -0.139 38.271 38.487 -0.129 0.000 1.132 738 N HN 0.063 nan 8.380 nan 0.000 0.511 739 L N 2.798 123.646 121.223 -0.625 0.000 2.549 739 L HA 0.088 4.428 4.340 0.000 0.000 0.229 739 L C 1.371 178.045 176.870 -0.326 0.000 1.158 739 L CA 0.740 55.061 54.840 -0.865 0.000 0.842 739 L CB -0.668 40.969 42.059 -0.704 0.000 0.952 739 L HN 0.583 nan 8.230 nan 0.000 0.452 740 N N -1.048 117.564 118.700 -0.146 0.000 2.294 740 N HA 0.045 4.786 4.740 0.000 0.000 0.186 740 N C 0.825 176.370 175.510 0.058 0.000 1.107 740 N CA -0.014 53.025 53.050 -0.018 0.000 0.884 740 N CB 0.805 39.268 38.487 -0.041 0.000 1.030 740 N HN 0.246 nan 8.380 nan 0.000 0.482 741 R N 0.644 121.191 120.500 0.079 0.000 2.340 741 R HA 0.296 4.637 4.340 0.000 0.000 0.300 741 R C 0.564 176.970 176.300 0.176 0.000 1.069 741 R CA 0.681 56.846 56.100 0.109 0.000 0.984 741 R CB 0.304 30.663 30.300 0.098 0.000 1.003 741 R HN 0.203 nan 8.270 nan 0.000 0.459 742 G N 2.664 111.540 108.800 0.127 0.000 2.176 742 G HA2 -0.307 3.653 3.960 0.000 0.000 0.252 742 G HA3 -0.307 3.653 3.960 0.000 0.000 0.252 742 G C 0.530 175.516 174.900 0.142 0.000 1.024 742 G CA 0.770 45.946 45.100 0.126 0.000 0.755 742 G HN 0.765 nan 8.290 nan 0.000 0.507 743 T N -2.986 111.656 114.554 0.147 0.000 3.014 743 T HA 0.354 4.705 4.350 0.000 0.000 0.250 743 T C 1.098 175.855 174.700 0.094 0.000 1.060 743 T CA 0.626 62.814 62.100 0.147 0.000 1.040 743 T CB 0.586 69.568 68.868 0.190 0.000 0.971 743 T HN 0.439 nan 8.240 nan 0.000 0.497 744 K N 1.979 122.423 120.400 0.073 0.000 2.436 744 K HA 0.090 4.410 4.320 0.000 0.000 0.275 744 K C 1.439 178.066 176.600 0.046 0.000 0.999 744 K CA -0.221 56.096 56.287 0.050 0.000 0.980 744 K CB 0.633 33.154 32.500 0.035 0.000 0.919 744 K HN 0.032 nan 8.250 nan 0.000 0.484 745 E N 3.068 123.290 120.200 0.037 0.000 2.118 745 E HA -0.242 4.108 4.350 0.000 0.000 0.195 745 E C 1.148 177.770 176.600 0.035 0.000 0.992 745 E CA 1.548 57.967 56.400 0.031 0.000 0.804 745 E CB 0.225 29.939 29.700 0.023 0.000 0.741 745 E HN 0.716 nan 8.360 nan 0.000 0.458 746 E N 0.124 120.347 120.200 0.039 0.000 2.478 746 E HA -0.142 4.208 4.350 0.000 0.000 0.198 746 E C 0.555 177.206 176.600 0.086 0.000 1.046 746 E CA 0.715 57.148 56.400 0.055 0.000 0.870 746 E CB -0.062 29.662 29.700 0.039 0.000 0.818 746 E HN 0.201 nan 8.360 nan 0.000 0.527 747 D N 0.613 121.053 120.400 0.066 0.000 2.323 747 D HA 0.020 4.660 4.640 0.000 0.000 0.209 747 D C 0.687 177.079 176.300 0.154 0.000 0.973 747 D CA 0.334 54.379 54.000 0.076 0.000 0.874 747 D CB 0.074 40.899 40.800 0.042 0.000 0.930 747 D HN 0.193 nan 8.370 nan 0.000 0.521 748 M N 1.595 121.248 119.600 0.088 0.000 2.243 748 M HA 0.220 4.700 4.480 0.000 0.000 0.341 748 M C -2.106 174.140 176.300 -0.091 0.000 1.130 748 M CA -2.047 53.237 55.300 -0.026 0.000 1.162 748 M CB -0.248 32.316 32.600 -0.059 0.000 1.497 748 M HN -0.248 nan 8.290 nan 0.000 0.456 749 P HA 0.142 nan 4.420 nan 0.000 0.277 749 P C -0.830 176.294 177.300 -0.294 0.000 1.271 749 P CA -0.502 62.262 63.100 -0.560 0.000 0.795 749 P CB 0.275 31.578 31.700 -0.663 0.000 1.101 750 Y N 0.452 120.570 120.300 -0.302 0.000 2.702 750 Y HA 0.172 4.722 4.550 0.000 0.000 0.336 750 Y C -0.365 175.565 175.900 0.050 0.000 1.235 750 Y CA 1.188 59.231 58.100 -0.096 0.000 1.492 750 Y CB 0.198 38.624 38.460 -0.057 0.000 1.308 750 Y HN 0.216 nan 8.280 nan 0.000 0.589 751 S N 4.935 120.293 115.700 -0.570 0.000 2.548 751 S HA 0.424 4.894 4.470 0.000 0.000 0.276 751 S C 0.565 174.724 174.600 -0.735 0.000 1.129 751 S CA -0.293 57.675 58.200 -0.387 0.000 0.931 751 S CB 0.685 63.801 63.200 -0.140 0.000 1.068 751 S HN 0.842 nan 8.310 nan 0.000 0.480 752 F N 1.298 121.089 119.950 -0.265 0.000 2.120 752 F HA -0.022 4.505 4.527 0.000 0.000 0.300 752 F C 2.708 178.484 175.800 -0.040 0.000 1.095 752 F CA 2.184 60.212 58.000 0.047 0.000 1.249 752 F CB -1.718 37.477 39.000 0.325 0.000 0.995 752 F HN 0.878 nan 8.300 nan 0.000 0.480 753 S N 0.250 115.916 115.700 -0.057 0.000 2.353 753 S HA 0.015 4.485 4.470 0.000 0.000 0.222 753 S C 1.800 176.362 174.600 -0.064 0.000 1.035 753 S CA 2.079 60.256 58.200 -0.038 0.000 1.025 753 S CB -1.214 61.967 63.200 -0.031 0.000 0.902 753 S HN 1.240 nan 8.310 nan 0.000 0.440 754 K N 1.256 121.588 120.400 -0.113 0.000 2.989 754 K HA 0.557 4.878 4.320 0.000 0.000 0.264 754 K C 0.156 176.686 176.600 -0.115 0.000 1.228 754 K CA 0.870 57.096 56.287 -0.102 0.000 1.186 754 K CB -1.849 30.583 32.500 -0.112 0.000 1.409 754 K HN 1.107 nan 8.250 nan 0.000 0.271 755 E N 0.000 120.164 120.200 -0.060 0.000 2.725 755 E HA 0.000 4.350 4.350 0.000 0.000 0.291 755 E CA 0.000 56.395 56.400 -0.009 0.000 0.976 755 E CB 0.000 29.701 29.700 0.001 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440