REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ww3_1_D 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 YSFSKELE 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 0.000 176.112 176.600 -0.813 0.000 0.988 20 K CA 0.000 55.940 56.287 -0.578 0.000 0.838 20 K CB 0.000 32.161 32.500 -0.564 0.000 1.064 21 D N 0.515 120.481 120.400 -0.724 0.000 2.168 21 D HA 0.593 5.233 4.640 -0.000 0.000 0.246 21 D C 0.462 176.332 176.300 -0.717 0.000 1.050 21 D CA -0.280 53.397 54.000 -0.538 0.000 0.857 21 D CB 0.709 41.301 40.800 -0.347 0.000 1.169 21 D HN 0.533 nan 8.370 nan 0.000 0.453 22 W N 1.950 123.119 121.300 -0.219 0.000 2.940 22 W HA 0.004 4.664 4.660 -0.000 0.000 0.297 22 W C 1.836 178.212 176.519 -0.238 0.000 1.149 22 W CA 0.496 57.648 57.345 -0.321 0.000 1.564 22 W CB -0.136 29.042 29.460 -0.469 0.000 1.010 22 W HN 0.584 nan 8.180 nan 0.000 0.578 23 T N -0.792 113.785 114.554 0.039 0.000 2.881 23 T HA -0.274 4.076 4.350 -0.000 0.000 0.270 23 T C 1.669 176.338 174.700 -0.052 0.000 1.068 23 T CA 1.596 63.725 62.100 0.048 0.000 1.131 23 T CB -0.361 68.612 68.868 0.176 0.000 0.871 23 T HN 0.356 nan 8.240 nan 0.000 0.479 24 Q N -0.158 119.513 119.800 -0.214 0.000 2.297 24 Q HA -0.159 4.181 4.340 -0.000 0.000 0.208 24 Q C 1.360 177.221 176.000 -0.233 0.000 0.981 24 Q CA 1.377 57.005 55.803 -0.291 0.000 0.876 24 Q CB -0.759 27.678 28.738 -0.501 0.000 0.921 24 Q HN 0.628 nan 8.270 nan 0.000 0.446 25 Y N 0.568 120.885 120.300 0.029 0.000 2.500 25 Y HA 0.220 4.770 4.550 -0.000 0.000 0.270 25 Y C 0.651 176.618 175.900 0.113 0.000 1.134 25 Y CA -0.641 57.536 58.100 0.128 0.000 1.293 25 Y CB 0.626 39.249 38.460 0.271 0.000 1.063 25 Y HN -0.117 nan 8.280 nan 0.000 0.534 26 V N 2.150 122.135 119.914 0.119 0.000 2.488 26 V HA 0.085 4.205 4.120 -0.000 0.000 0.277 26 V C -0.074 175.940 176.094 -0.134 0.000 1.046 26 V CA -0.573 61.700 62.300 -0.045 0.000 0.986 26 V CB 0.792 32.430 31.823 -0.308 0.000 0.989 26 V HN 0.209 nan 8.190 nan 0.000 0.475 27 N N 7.016 125.670 118.700 -0.077 0.000 2.621 27 N HA 0.395 5.135 4.740 -0.000 0.000 0.237 27 N C -1.960 173.510 175.510 -0.067 0.000 0.997 27 N CA -2.246 50.770 53.050 -0.058 0.000 0.918 27 N CB 1.933 40.430 38.487 0.017 0.000 1.122 27 N HN 0.218 nan 8.380 nan 0.000 0.510 28 P HA 0.004 nan 4.420 nan 0.000 0.230 28 P C 0.794 178.126 177.300 0.053 0.000 1.158 28 P CA 0.839 63.893 63.100 -0.078 0.000 0.769 28 P CB 0.302 31.884 31.700 -0.197 0.000 0.807 29 L N -2.308 118.963 121.223 0.080 0.000 2.558 29 L HA 0.177 4.517 4.340 -0.000 0.000 0.225 29 L C 1.346 178.308 176.870 0.153 0.000 1.128 29 L CA -0.160 54.783 54.840 0.172 0.000 0.868 29 L CB -0.518 41.699 42.059 0.264 0.000 1.006 29 L HN 0.071 nan 8.230 nan 0.000 0.454 30 M N 1.086 120.758 119.600 0.120 0.000 2.307 30 M HA 0.190 4.670 4.480 -0.000 0.000 0.346 30 M C 0.999 177.446 176.300 0.245 0.000 1.552 30 M CA 1.146 56.515 55.300 0.116 0.000 1.116 30 M CB 0.122 32.768 32.600 0.076 0.000 1.889 30 M HN 0.277 nan 8.290 nan 0.000 0.460 31 G N 1.994 110.930 108.800 0.227 0.000 2.201 31 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.212 31 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.212 31 G C 0.639 175.669 174.900 0.218 0.000 0.994 31 G CA 0.449 45.724 45.100 0.291 0.000 0.644 31 G HN 0.843 nan 8.290 nan 0.000 0.508 32 S N -0.476 115.370 115.700 0.244 0.000 2.470 32 S HA 0.156 4.626 4.470 -0.000 0.000 0.225 32 S C 1.233 176.019 174.600 0.310 0.000 1.006 32 S CA 1.250 59.658 58.200 0.346 0.000 0.934 32 S CB 0.096 63.640 63.200 0.573 0.000 0.778 32 S HN 0.617 nan 8.310 nan 0.000 0.517 33 Q N 1.782 121.704 119.800 0.203 0.000 3.184 33 Q HA 0.392 4.732 4.340 -0.000 0.000 0.288 33 Q C -0.945 175.144 176.000 0.148 0.000 1.412 33 Q CA -0.231 55.670 55.803 0.163 0.000 0.991 33 Q CB -0.242 28.509 28.738 0.021 0.000 1.688 33 Q HN 0.329 nan 8.270 nan 0.000 0.554 34 S N 0.344 116.166 115.700 0.202 0.000 2.568 34 S HA 0.697 5.167 4.470 -0.000 0.000 0.293 34 S C -0.720 174.012 174.600 0.219 0.000 1.089 34 S CA -0.552 57.776 58.200 0.212 0.000 0.945 34 S CB 1.850 65.206 63.200 0.261 0.000 1.077 34 S HN 0.628 nan 8.310 nan 0.000 0.485 35 T N -0.597 114.040 114.554 0.138 0.000 2.887 35 T HA 0.517 4.867 4.350 -0.000 0.000 0.292 35 T C 0.655 175.333 174.700 -0.036 0.000 1.087 35 T CA -0.701 61.379 62.100 -0.033 0.000 1.009 35 T CB 0.634 69.478 68.868 -0.039 0.000 1.203 35 T HN 0.372 nan 8.240 nan 0.000 0.518 36 F N 1.532 121.218 119.950 -0.439 0.000 2.120 36 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 36 F C 2.032 177.843 175.800 0.019 0.000 1.095 36 F CA 1.885 59.716 58.000 -0.281 0.000 1.249 36 F CB -0.225 38.507 39.000 -0.447 0.000 0.995 36 F HN 0.695 nan 8.300 nan 0.000 0.480 37 E N 0.014 120.254 120.200 0.065 0.000 2.216 37 E HA 0.089 4.439 4.350 -0.000 0.000 0.192 37 E C -0.286 176.331 176.600 0.029 0.000 0.988 37 E CA 0.699 57.126 56.400 0.044 0.000 0.834 37 E CB 0.123 29.876 29.700 0.087 0.000 0.772 37 E HN 0.318 nan 8.360 nan 0.000 0.479 38 L N -0.252 120.989 121.223 0.031 0.000 2.596 38 L HA 0.338 4.678 4.340 -0.000 0.000 0.265 38 L C -1.057 175.847 176.870 0.056 0.000 0.962 38 L CA -0.376 54.496 54.840 0.055 0.000 0.891 38 L CB 1.992 44.077 42.059 0.043 0.000 1.248 38 L HN -0.158 nan 8.230 nan 0.000 0.410 39 S N 1.537 117.275 115.700 0.063 0.000 2.562 39 S HA 0.554 5.024 4.470 -0.000 0.000 0.275 39 S C 0.731 175.395 174.600 0.107 0.000 1.281 39 S CA 0.291 58.536 58.200 0.075 0.000 1.045 39 S CB 0.890 64.113 63.200 0.040 0.000 0.962 39 S HN 0.767 nan 8.310 nan 0.000 0.503 40 T N 0.899 115.527 114.554 0.123 0.000 3.266 40 T HA 0.563 4.913 4.350 -0.000 0.000 0.278 40 T C 1.009 175.844 174.700 0.224 0.000 1.010 40 T CA 0.215 62.398 62.100 0.138 0.000 0.909 40 T CB 0.109 69.038 68.868 0.101 0.000 1.122 40 T HN 1.171 nan 8.240 nan 0.000 0.536 41 G N 1.539 110.435 108.800 0.160 0.000 3.211 41 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.202 41 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.202 41 G C 0.097 174.996 174.900 -0.001 0.000 1.035 41 G CA -0.291 44.845 45.100 0.060 0.000 0.846 41 G HN 0.397 nan 8.290 nan 0.000 0.464 42 N N 1.840 120.575 118.700 0.058 0.000 2.686 42 N HA -0.147 4.593 4.740 -0.000 0.000 0.261 42 N C 0.410 175.884 175.510 -0.060 0.000 1.001 42 N CA 1.945 54.982 53.050 -0.021 0.000 0.764 42 N CB -1.348 37.068 38.487 -0.119 0.000 0.898 42 N HN 1.326 nan 8.380 nan 0.000 0.544 43 T N -2.288 112.277 114.554 0.019 0.000 2.927 43 T HA 0.796 5.146 4.350 -0.000 0.000 0.286 43 T C -0.114 174.645 174.700 0.098 0.000 1.040 43 T CA -0.831 61.249 62.100 -0.034 0.000 1.010 43 T CB 2.084 70.938 68.868 -0.024 0.000 1.177 43 T HN 0.249 nan 8.240 nan 0.000 0.546 44 Y N -2.425 117.924 120.300 0.080 0.000 2.605 44 Y HA 0.757 5.307 4.550 -0.000 0.000 0.343 44 Y C -3.138 172.750 175.900 -0.020 0.000 1.036 44 Y CA -3.607 54.531 58.100 0.064 0.000 1.065 44 Y CB 0.314 38.803 38.460 0.048 0.000 1.288 44 Y HN 0.368 nan 8.280 nan 0.000 0.481 45 P HA 0.235 nan 4.420 nan 0.000 0.271 45 P C -0.675 176.623 177.300 -0.003 0.000 1.380 45 P CA 0.055 63.094 63.100 -0.101 0.000 0.992 45 P CB 0.256 31.762 31.700 -0.324 0.000 1.230 46 A N 6.126 128.925 122.820 -0.035 0.000 2.544 46 A HA 0.277 4.597 4.320 -0.000 0.000 0.301 46 A C 0.354 177.881 177.584 -0.094 0.000 1.368 46 A CA -0.329 51.645 52.037 -0.105 0.000 1.045 46 A CB -0.717 18.006 19.000 -0.462 0.000 1.129 46 A HN 0.365 nan 8.150 nan 0.000 0.540 47 I N 1.894 122.447 120.570 -0.029 0.000 2.337 47 I HA 0.598 4.768 4.170 -0.000 0.000 0.291 47 I C 0.563 176.733 176.117 0.090 0.000 1.046 47 I CA 0.079 61.382 61.300 0.004 0.000 1.324 47 I CB -0.324 37.676 38.000 0.000 0.000 1.409 47 I HN 0.693 nan 8.210 nan 0.000 0.494 48 A N 7.148 130.054 122.820 0.144 0.000 2.515 48 A HA 0.715 5.035 4.320 -0.000 0.000 0.292 48 A C -0.723 177.119 177.584 0.429 0.000 1.065 48 A CA -0.886 51.278 52.037 0.211 0.000 0.641 48 A CB 1.597 20.468 19.000 -0.215 0.000 1.306 48 A HN 0.490 nan 8.150 nan 0.000 0.441 49 R N -0.112 120.563 120.500 0.292 0.000 2.573 49 R HA 0.556 4.896 4.340 -0.000 0.000 0.272 49 R C -2.731 173.479 176.300 -0.149 0.000 1.009 49 R CA -2.115 54.020 56.100 0.058 0.000 1.059 49 R CB 0.246 30.565 30.300 0.032 0.000 1.112 49 R HN 0.431 nan 8.270 nan 0.000 0.517 50 P HA -0.131 nan 4.420 nan 0.000 0.263 50 P C -0.234 176.931 177.300 -0.224 0.000 1.175 50 P CA 0.424 62.947 63.100 -0.961 0.000 0.761 50 P CB 0.202 31.096 31.700 -1.343 0.000 0.794 51 W N -0.081 121.261 121.300 0.070 0.000 4.973 51 W HA -0.163 4.497 4.660 -0.000 0.000 0.350 51 W C 0.673 177.340 176.519 0.246 0.000 1.280 51 W CA 0.816 58.280 57.345 0.199 0.000 0.854 51 W CB -2.481 27.114 29.460 0.225 0.000 2.367 51 W HN 0.485 nan 8.180 nan 0.000 1.511 52 G N 0.848 109.938 108.800 0.484 0.000 2.432 52 G HA2 0.219 4.179 3.960 -0.000 0.000 0.239 52 G HA3 0.219 4.179 3.960 -0.000 0.000 0.239 52 G C 0.809 175.865 174.900 0.261 0.000 1.291 52 G CA 0.229 45.574 45.100 0.409 0.000 0.863 52 G HN 0.267 nan 8.290 nan 0.000 0.560 53 M N 1.758 121.459 119.600 0.168 0.000 2.175 53 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 53 M C 0.133 176.548 176.300 0.191 0.000 1.063 53 M CA 1.041 56.430 55.300 0.149 0.000 1.119 53 M CB 0.033 32.695 32.600 0.104 0.000 1.377 53 M HN 0.398 nan 8.290 nan 0.000 0.415 54 N N 0.398 119.202 118.700 0.173 0.000 2.407 54 N HA 0.281 5.021 4.740 -0.000 0.000 0.277 54 N C -1.548 174.047 175.510 0.141 0.000 0.995 54 N CA -0.272 52.790 53.050 0.019 0.000 0.903 54 N CB 1.154 39.713 38.487 0.120 0.000 1.218 54 N HN -0.000 nan 8.380 nan 0.000 0.487 55 F N 0.637 120.424 119.950 -0.273 0.000 2.399 55 F HA 0.491 5.018 4.527 -0.000 0.000 0.328 55 F C 0.062 175.623 175.800 -0.398 0.000 1.084 55 F CA -1.250 56.669 58.000 -0.135 0.000 1.053 55 F CB 0.686 39.660 39.000 -0.045 0.000 1.209 55 F HN 0.295 nan 8.300 nan 0.000 0.502 56 W N 0.318 121.685 121.300 0.112 0.000 2.702 56 W HA 0.561 5.221 4.660 -0.000 0.000 0.331 56 W C -0.305 176.178 176.519 -0.060 0.000 1.049 56 W CA -0.602 56.735 57.345 -0.013 0.000 1.230 56 W CB 2.104 31.548 29.460 -0.026 0.000 1.408 56 W HN 0.358 nan 8.180 nan 0.000 0.492 57 T N 4.380 118.971 114.554 0.062 0.000 2.912 57 T HA 0.474 4.824 4.350 -0.000 0.000 0.299 57 T C -2.747 171.858 174.700 -0.158 0.000 1.052 57 T CA -2.299 59.737 62.100 -0.108 0.000 0.996 57 T CB 1.323 70.103 68.868 -0.148 0.000 1.070 57 T HN 0.059 nan 8.240 nan 0.000 0.465 58 P HA 0.090 nan 4.420 nan 0.000 0.266 58 P C -1.069 176.118 177.300 -0.188 0.000 1.195 58 P CA -0.020 62.842 63.100 -0.397 0.000 0.768 58 P CB 0.449 31.863 31.700 -0.477 0.000 0.838 59 Q N 1.743 121.391 119.800 -0.253 0.000 2.357 59 Q HA 0.270 4.610 4.340 -0.000 0.000 0.266 59 Q C 0.557 176.472 176.000 -0.141 0.000 1.021 59 Q CA -0.371 55.355 55.803 -0.127 0.000 0.784 59 Q CB 1.009 29.676 28.738 -0.118 0.000 1.243 59 Q HN 0.509 nan 8.270 nan 0.000 0.465 60 T N -0.265 114.244 114.554 -0.074 0.000 3.037 60 T HA 0.254 4.604 4.350 -0.000 0.000 0.252 60 T C 0.854 175.497 174.700 -0.094 0.000 1.073 60 T CA 0.347 62.374 62.100 -0.122 0.000 1.091 60 T CB 0.329 69.096 68.868 -0.168 0.000 0.935 60 T HN 0.491 nan 8.240 nan 0.000 0.488 61 G N 1.487 110.255 108.800 -0.053 0.000 2.507 61 G HA2 0.475 4.435 3.960 -0.000 0.000 0.271 61 G HA3 0.475 4.435 3.960 -0.000 0.000 0.271 61 G C -0.481 174.380 174.900 -0.066 0.000 1.189 61 G CA -0.894 44.185 45.100 -0.036 0.000 0.859 61 G HN 0.362 nan 8.290 nan 0.000 0.542 62 K N 0.737 121.094 120.400 -0.072 0.000 2.258 62 K HA 0.078 4.398 4.320 -0.000 0.000 0.264 62 K C 0.696 177.218 176.600 -0.130 0.000 1.007 62 K CA -0.407 55.816 56.287 -0.106 0.000 0.941 62 K CB 0.948 33.390 32.500 -0.096 0.000 0.966 62 K HN 0.557 nan 8.250 nan 0.000 0.480 63 M N 1.398 120.859 119.600 -0.232 0.000 2.274 63 M HA -0.144 4.336 4.480 -0.000 0.000 0.377 63 M C 0.780 176.951 176.300 -0.214 0.000 1.428 63 M CA 2.107 57.176 55.300 -0.385 0.000 0.907 63 M CB -0.348 31.823 32.600 -0.716 0.000 1.974 63 M HN 1.005 nan 8.290 nan 0.000 0.479 64 G N 3.060 111.794 108.800 -0.109 0.000 2.241 64 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 64 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 64 G C -0.099 174.799 174.900 -0.002 0.000 0.998 64 G CA 0.212 45.293 45.100 -0.032 0.000 0.621 64 G HN 0.800 nan 8.290 nan 0.000 0.519 65 D N 1.255 121.654 120.400 -0.001 0.000 2.383 65 D HA 0.434 5.074 4.640 -0.000 0.000 0.252 65 D C 1.702 178.034 176.300 0.053 0.000 1.166 65 D CA 0.734 54.771 54.000 0.062 0.000 0.879 65 D CB 0.822 41.665 40.800 0.072 0.000 1.164 65 D HN 0.221 nan 8.370 nan 0.000 0.462 66 G N 3.679 112.512 108.800 0.055 0.000 2.448 66 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 66 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 66 G C 0.713 175.416 174.900 -0.328 0.000 1.127 66 G CA -0.157 44.811 45.100 -0.220 0.000 0.766 66 G HN 0.592 nan 8.290 nan 0.000 0.552 67 W N 2.328 123.562 121.300 -0.111 0.000 1.664 67 W HA 0.209 4.869 4.660 -0.000 0.000 0.428 67 W C 1.431 177.926 176.519 -0.039 0.000 0.726 67 W CA -0.376 56.929 57.345 -0.067 0.000 1.774 67 W CB -0.135 29.280 29.460 -0.074 0.000 1.801 67 W HN 0.550 nan 8.180 nan 0.000 0.243 68 Q N 0.745 120.567 119.800 0.036 0.000 2.245 68 Q HA -0.135 4.205 4.340 -0.000 0.000 0.201 68 Q C 0.010 176.066 176.000 0.093 0.000 0.955 68 Q CA 1.082 56.889 55.803 0.006 0.000 0.870 68 Q CB 0.123 28.782 28.738 -0.131 0.000 0.945 68 Q HN 0.335 nan 8.270 nan 0.000 0.461 69 Y N 1.537 121.859 120.300 0.036 0.000 2.373 69 Y HA 0.390 4.940 4.550 -0.000 0.000 0.336 69 Y C -1.296 174.714 175.900 0.185 0.000 0.979 69 Y CA -0.649 57.506 58.100 0.092 0.000 1.080 69 Y CB 2.106 40.629 38.460 0.105 0.000 1.190 69 Y HN 0.093 nan 8.280 nan 0.000 0.446 70 T N 1.995 116.436 114.554 -0.190 0.000 2.861 70 T HA 0.181 4.531 4.350 -0.000 0.000 0.287 70 T C 0.200 174.815 174.700 -0.142 0.000 1.003 70 T CA -0.584 61.514 62.100 -0.003 0.000 0.977 70 T CB 1.174 70.090 68.868 0.080 0.000 0.996 70 T HN 0.745 nan 8.240 nan 0.000 0.448 71 Y N 2.860 123.160 120.300 -0.000 0.000 2.256 71 Y HA -0.161 4.389 4.550 -0.000 0.000 0.288 71 Y C 2.706 178.686 175.900 0.132 0.000 1.155 71 Y CA 2.448 60.598 58.100 0.083 0.000 1.203 71 Y CB -0.204 38.285 38.460 0.049 0.000 0.980 71 Y HN 0.890 nan 8.280 nan 0.000 0.530 72 T N -1.716 112.916 114.554 0.131 0.000 3.088 72 T HA 0.287 4.637 4.350 -0.000 0.000 0.259 72 T C 0.906 175.548 174.700 -0.097 0.000 1.122 72 T CA 0.175 62.300 62.100 0.040 0.000 1.095 72 T CB -0.676 68.230 68.868 0.064 0.000 0.930 72 T HN 0.356 nan 8.240 nan 0.000 0.508 73 A N 2.132 124.872 122.820 -0.134 0.000 2.540 73 A HA 0.279 4.599 4.320 -0.000 0.000 0.239 73 A C 1.234 178.625 177.584 -0.322 0.000 1.061 73 A CA -0.389 51.530 52.037 -0.196 0.000 0.758 73 A CB 0.076 18.976 19.000 -0.166 0.000 0.991 73 A HN 0.370 nan 8.150 nan 0.000 0.502 74 N N 0.673 119.081 118.700 -0.486 0.000 2.416 74 N HA 0.017 4.757 4.740 -0.000 0.000 0.177 74 N C -0.131 174.965 175.510 -0.689 0.000 1.036 74 N CA 1.064 53.550 53.050 -0.941 0.000 0.901 74 N CB 0.110 37.629 38.487 -1.615 0.000 0.976 74 N HN 0.648 nan 8.380 nan 0.000 0.444 75 K N 0.365 120.590 120.400 -0.292 0.000 2.427 75 K HA 0.472 4.792 4.320 -0.000 0.000 0.252 75 K C -0.773 175.796 176.600 -0.051 0.000 0.931 75 K CA -0.497 55.714 56.287 -0.127 0.000 0.793 75 K CB 2.638 34.977 32.500 -0.267 0.000 1.211 75 K HN -0.147 nan 8.250 nan 0.000 0.426 76 I N 3.377 123.885 120.570 -0.103 0.000 2.392 76 I HA 0.270 4.440 4.170 -0.000 0.000 0.295 76 I C 1.373 177.370 176.117 -0.200 0.000 0.985 76 I CA -0.316 60.814 61.300 -0.283 0.000 1.221 76 I CB 1.152 38.845 38.000 -0.511 0.000 1.366 76 I HN 0.665 nan 8.210 nan 0.000 0.467 77 R N 4.143 124.513 120.500 -0.218 0.000 2.476 77 R HA 0.499 4.839 4.340 -0.000 0.000 0.276 77 R C 0.197 176.406 176.300 -0.153 0.000 0.941 77 R CA -0.105 55.907 56.100 -0.147 0.000 1.088 77 R CB 1.000 31.222 30.300 -0.131 0.000 1.216 77 R HN 0.747 nan 8.270 nan 0.000 0.533 78 G N 0.553 109.192 108.800 -0.269 0.000 2.322 78 G HA2 0.382 4.342 3.960 -0.000 0.000 0.295 78 G HA3 0.382 4.342 3.960 -0.000 0.000 0.295 78 G C -1.972 172.647 174.900 -0.468 0.000 1.369 78 G CA -0.931 44.045 45.100 -0.207 0.000 0.821 78 G HN 0.023 nan 8.290 nan 0.000 0.536 79 F N 0.868 120.882 119.950 0.106 0.000 2.427 79 F HA 0.666 5.193 4.527 -0.000 0.000 0.348 79 F C 0.420 176.352 175.800 0.220 0.000 1.125 79 F CA -0.686 57.439 58.000 0.209 0.000 0.989 79 F CB 2.510 41.773 39.000 0.439 0.000 1.165 79 F HN 0.429 nan 8.300 nan 0.000 0.442 80 K N 3.360 123.866 120.400 0.177 0.000 2.345 80 K HA 0.347 4.667 4.320 -0.000 0.000 0.255 80 K C -0.905 175.280 176.600 -0.692 0.000 0.934 80 K CA -0.715 55.426 56.287 -0.244 0.000 0.801 80 K CB 1.685 34.045 32.500 -0.233 0.000 1.137 80 K HN 0.730 nan 8.250 nan 0.000 0.424 81 Q N 2.718 121.614 119.800 -1.507 0.000 2.288 81 Q HA 0.133 4.473 4.340 -0.000 0.000 0.258 81 Q C -1.201 174.145 176.000 -1.090 0.000 0.957 81 Q CA 0.150 54.804 55.803 -1.915 0.000 0.919 81 Q CB 1.290 28.720 28.738 -2.181 0.000 1.185 81 Q HN 0.652 nan 8.270 nan 0.000 0.408 82 T N 2.445 116.439 114.554 -0.932 0.000 2.903 82 T HA 0.396 4.746 4.350 -0.000 0.000 0.299 82 T C -0.832 173.386 174.700 -0.803 0.000 1.093 82 T CA -0.488 61.208 62.100 -0.674 0.000 1.002 82 T CB 0.963 69.520 68.868 -0.518 0.000 1.127 82 T HN 0.802 nan 8.240 nan 0.000 0.488 83 H N 0.758 119.616 119.070 -0.352 0.000 2.923 83 H HA 0.348 4.904 4.556 -0.000 0.000 0.268 83 H C 0.611 175.913 175.328 -0.043 0.000 1.148 83 H CA -0.360 55.485 56.048 -0.338 0.000 1.146 83 H CB 0.580 29.922 29.762 -0.700 0.000 1.607 83 H HN 0.461 nan 8.280 nan 0.000 0.566 84 Q N 3.593 123.451 119.800 0.098 0.000 2.274 84 Q HA 0.022 4.362 4.340 -0.000 0.000 0.280 84 Q C -1.651 174.603 176.000 0.423 0.000 1.047 84 Q CA -1.443 54.485 55.803 0.208 0.000 0.907 84 Q CB 1.088 29.859 28.738 0.055 0.000 1.171 84 Q HN 0.184 nan 8.270 nan 0.000 0.381 85 P HA 0.021 nan 4.420 nan 0.000 0.228 85 P C -0.506 176.784 177.300 -0.016 0.000 1.166 85 P CA 0.498 63.614 63.100 0.027 0.000 0.812 85 P CB 0.516 32.311 31.700 0.159 0.000 0.857 86 S N -2.324 113.389 115.700 0.022 0.000 2.567 86 S HA 0.403 4.873 4.470 -0.000 0.000 0.270 86 S C -2.631 171.808 174.600 -0.268 0.000 1.152 86 S CA -1.164 56.994 58.200 -0.070 0.000 0.835 86 S CB 1.462 64.709 63.200 0.078 0.000 1.115 86 S HN -0.257 nan 8.310 nan 0.000 0.459 87 P HA -0.027 nan 4.420 nan 0.000 0.220 87 P C 0.626 177.424 177.300 -0.837 0.000 1.148 87 P CA 1.201 63.652 63.100 -1.082 0.000 0.803 87 P CB -0.239 30.121 31.700 -2.233 0.000 0.782 88 W N -0.591 120.575 121.300 -0.222 0.000 2.494 88 W HA 0.067 4.727 4.660 -0.000 0.000 0.286 88 W C 2.262 178.683 176.519 -0.162 0.000 1.218 88 W CA -0.198 57.077 57.345 -0.117 0.000 1.313 88 W CB -0.880 28.526 29.460 -0.089 0.000 1.105 88 W HN -0.211 nan 8.180 nan 0.000 0.561 89 I N 0.105 120.642 120.570 -0.056 0.000 2.500 89 I HA -0.109 4.061 4.170 -0.000 0.000 0.252 89 I C 1.297 177.370 176.117 -0.074 0.000 1.142 89 I CA 1.043 62.242 61.300 -0.169 0.000 1.451 89 I CB -1.410 36.378 38.000 -0.353 0.000 1.093 89 I HN 0.174 nan 8.210 nan 0.000 0.430 90 N N 0.891 119.547 118.700 -0.073 0.000 5.833 90 N HA -0.212 4.528 4.740 -0.000 0.000 0.357 90 N C -0.323 175.208 175.510 0.035 0.000 0.922 90 N CA 1.062 54.087 53.050 -0.041 0.000 1.099 90 N CB -0.498 37.978 38.487 -0.018 0.000 0.862 90 N HN 0.179 nan 8.380 nan 0.000 0.427 91 D N -0.906 119.529 120.400 0.058 0.000 2.414 91 D HA 0.765 5.405 4.640 -0.000 0.000 0.241 91 D C -0.912 175.503 176.300 0.191 0.000 1.008 91 D CA 0.076 54.117 54.000 0.069 0.000 1.001 91 D CB 1.030 41.827 40.800 -0.005 0.000 1.277 91 D HN 0.460 nan 8.370 nan 0.000 0.538 92 Y N -2.937 117.447 120.300 0.141 0.000 2.641 92 Y HA 0.464 5.014 4.550 -0.000 0.000 0.333 92 Y C 0.115 176.265 175.900 0.417 0.000 1.174 92 Y CA -0.973 57.233 58.100 0.177 0.000 1.057 92 Y CB 0.815 39.243 38.460 -0.054 0.000 1.322 92 Y HN 0.535 nan 8.280 nan 0.000 0.457 93 G N 2.173 111.406 108.800 0.722 0.000 2.333 93 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.296 93 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.296 93 G C -0.803 174.263 174.900 0.277 0.000 1.059 93 G CA 0.329 45.791 45.100 0.603 0.000 1.050 93 G HN 1.038 nan 8.290 nan 0.000 0.508 94 Q N -0.793 119.057 119.800 0.084 0.000 2.337 94 Q HA 0.855 5.195 4.340 -0.000 0.000 0.270 94 Q C -0.344 175.285 176.000 -0.619 0.000 1.043 94 Q CA -1.241 54.360 55.803 -0.336 0.000 0.794 94 Q CB 2.171 30.709 28.738 -0.334 0.000 1.281 94 Q HN 1.078 nan 8.270 nan 0.000 0.446 95 F N -0.947 118.441 119.950 -0.935 0.000 2.779 95 F HA 0.843 5.370 4.527 -0.000 0.000 0.316 95 F C -1.360 174.047 175.800 -0.655 0.000 1.164 95 F CA -0.660 56.764 58.000 -0.961 0.000 0.924 95 F CB 1.366 39.926 39.000 -0.733 0.000 1.348 95 F HN 0.772 nan 8.300 nan 0.000 0.467 96 S N 1.004 116.564 115.700 -0.234 0.000 2.625 96 S HA 0.826 5.296 4.470 -0.000 0.000 0.271 96 S C -1.830 172.853 174.600 0.139 0.000 1.161 96 S CA -0.748 57.403 58.200 -0.082 0.000 0.820 96 S CB 1.930 65.164 63.200 0.056 0.000 1.137 96 S HN 1.266 nan 8.310 nan 0.000 0.470 97 I N 0.993 121.650 120.570 0.145 0.000 2.686 97 I HA 0.795 4.965 4.170 -0.000 0.000 0.295 97 I C -1.900 174.324 176.117 0.179 0.000 1.114 97 I CA -1.113 60.257 61.300 0.118 0.000 1.038 97 I CB 2.102 40.076 38.000 -0.044 0.000 1.238 97 I HN 0.934 nan 8.210 nan 0.000 0.420 98 M N 10.382 130.041 119.600 0.099 0.000 2.238 98 M HA 0.590 5.070 4.480 -0.000 0.000 0.278 98 M C -2.957 173.297 176.300 -0.076 0.000 1.040 98 M CA -1.623 53.745 55.300 0.115 0.000 0.969 98 M CB 2.435 35.063 32.600 0.047 0.000 1.694 98 M HN 0.151 nan 8.290 nan 0.000 0.472 99 P HA 0.680 nan 4.420 nan 0.000 0.287 99 P C -1.208 175.942 177.300 -0.251 0.000 1.270 99 P CA -0.419 62.500 63.100 -0.302 0.000 0.844 99 P CB 1.133 32.437 31.700 -0.661 0.000 1.068 100 I N -0.712 119.752 120.570 -0.176 0.000 3.263 100 I HA 0.795 4.965 4.170 -0.000 0.000 0.314 100 I C -1.146 174.960 176.117 -0.019 0.000 1.269 100 I CA -1.431 59.558 61.300 -0.518 0.000 0.942 100 I CB 2.150 39.867 38.000 -0.471 0.000 1.305 100 I HN 0.255 nan 8.210 nan 0.000 0.474 101 V N -0.675 119.276 119.914 0.061 0.000 3.160 101 V HA 1.043 5.163 4.120 -0.000 0.000 0.310 101 V C 0.290 176.535 176.094 0.251 0.000 1.181 101 V CA 0.326 62.762 62.300 0.228 0.000 1.047 101 V CB 0.682 32.647 31.823 0.236 0.000 1.068 101 V HN 2.078 nan 8.190 nan 0.000 0.441 102 G N 0.903 109.848 108.800 0.242 0.000 2.848 102 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.246 102 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.246 102 G C -0.329 174.641 174.900 0.116 0.000 1.374 102 G CA 0.217 45.411 45.100 0.157 0.000 0.982 102 G HN 1.123 nan 8.290 nan 0.000 0.563 103 Q N 2.433 122.231 119.800 -0.004 0.000 2.259 103 Q HA 0.450 4.790 4.340 -0.000 0.000 0.249 103 Q C -2.263 173.511 176.000 -0.377 0.000 0.914 103 Q CA -1.522 54.186 55.803 -0.158 0.000 0.904 103 Q CB 1.581 30.244 28.738 -0.125 0.000 1.213 103 Q HN 0.486 nan 8.270 nan 0.000 0.428 104 P HA 0.051 nan 4.420 nan 0.000 0.277 104 P C -0.519 176.536 177.300 -0.408 0.000 1.354 104 P CA -0.062 62.431 63.100 -1.012 0.000 0.891 104 P CB 0.199 31.118 31.700 -1.302 0.000 1.058 105 V N 1.255 121.015 119.914 -0.255 0.000 2.628 105 V HA 0.452 4.572 4.120 -0.000 0.000 0.306 105 V C 0.382 176.464 176.094 -0.021 0.000 1.045 105 V CA -0.661 61.578 62.300 -0.101 0.000 0.905 105 V CB 1.729 33.511 31.823 -0.068 0.000 0.997 105 V HN 0.283 nan 8.190 nan 0.000 0.436 106 F N 1.800 121.674 119.950 -0.126 0.000 2.505 106 F HA 0.297 4.824 4.527 -0.000 0.000 0.289 106 F C 1.312 177.059 175.800 -0.088 0.000 1.101 106 F CA 0.212 58.146 58.000 -0.109 0.000 1.446 106 F CB 0.262 39.185 39.000 -0.128 0.000 1.123 106 F HN 0.808 nan 8.300 nan 0.000 0.564 107 D N 2.228 122.610 120.400 -0.030 0.000 2.586 107 D HA -0.149 4.491 4.640 -0.000 0.000 0.234 107 D C 1.042 177.233 176.300 -0.182 0.000 1.132 107 D CA 0.612 54.558 54.000 -0.090 0.000 0.860 107 D CB 0.877 41.661 40.800 -0.027 0.000 1.159 107 D HN 0.676 nan 8.370 nan 0.000 0.490 108 E N 2.562 122.634 120.200 -0.214 0.000 2.409 108 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 108 E C 0.870 177.392 176.600 -0.131 0.000 1.024 108 E CA 0.965 57.240 56.400 -0.208 0.000 0.861 108 E CB 0.104 29.681 29.700 -0.205 0.000 0.788 108 E HN 0.586 nan 8.360 nan 0.000 0.521 109 E N 0.636 120.778 120.200 -0.097 0.000 2.099 109 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 109 E C 2.418 178.989 176.600 -0.047 0.000 0.962 109 E CA 0.889 57.246 56.400 -0.071 0.000 0.826 109 E CB -0.061 29.604 29.700 -0.058 0.000 0.788 109 E HN 0.342 nan 8.360 nan 0.000 0.461 110 K N 2.260 122.636 120.400 -0.040 0.000 2.209 110 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 110 K C 1.907 178.515 176.600 0.014 0.000 1.048 110 K CA 1.718 57.996 56.287 -0.015 0.000 0.940 110 K CB -0.857 31.632 32.500 -0.018 0.000 0.729 110 K HN 0.199 nan 8.250 nan 0.000 0.451 111 R N -0.399 120.099 120.500 -0.003 0.000 2.246 111 R HA 0.323 4.663 4.340 -0.000 0.000 0.199 111 R C 1.305 177.696 176.300 0.152 0.000 0.984 111 R CA 0.548 56.677 56.100 0.049 0.000 1.015 111 R CB -0.400 29.865 30.300 -0.058 0.000 0.930 111 R HN 0.286 nan 8.270 nan 0.000 0.475 112 A N 1.307 124.159 122.820 0.052 0.000 2.386 112 A HA 0.315 4.635 4.320 -0.000 0.000 0.246 112 A C -0.255 177.350 177.584 0.036 0.000 1.089 112 A CA 0.154 52.209 52.037 0.030 0.000 0.790 112 A CB 0.673 19.641 19.000 -0.054 0.000 1.042 112 A HN 0.371 nan 8.150 nan 0.000 0.497 113 S N -0.657 115.052 115.700 0.016 0.000 2.548 113 S HA 0.482 4.952 4.470 -0.000 0.000 0.276 113 S C -1.048 173.613 174.600 0.103 0.000 1.129 113 S CA -0.555 57.644 58.200 -0.002 0.000 0.931 113 S CB 0.283 63.474 63.200 -0.014 0.000 1.068 113 S HN 0.584 nan 8.310 nan 0.000 0.480 114 W N 4.336 125.629 121.300 -0.012 0.000 2.253 114 W HA 0.360 5.020 4.660 -0.000 0.000 0.348 114 W C 0.219 176.833 176.519 0.157 0.000 1.267 114 W CA 0.665 58.033 57.345 0.038 0.000 1.298 114 W CB 0.364 29.802 29.460 -0.036 0.000 1.181 114 W HN 0.589 nan 8.180 nan 0.000 0.585 115 F N 0.515 120.580 119.950 0.192 0.000 2.745 115 F HA 0.874 5.401 4.527 -0.000 0.000 0.316 115 F C -1.132 174.731 175.800 0.105 0.000 1.155 115 F CA -1.981 56.094 58.000 0.126 0.000 0.937 115 F CB 0.552 39.578 39.000 0.044 0.000 1.361 115 F HN 0.427 nan 8.300 nan 0.000 0.472 116 A N 0.048 122.762 122.820 -0.176 0.000 2.515 116 A HA 0.553 4.873 4.320 -0.000 0.000 0.296 116 A C 0.023 177.466 177.584 -0.234 0.000 1.094 116 A CA -0.720 51.058 52.037 -0.433 0.000 0.718 116 A CB 0.611 19.551 19.000 -0.100 0.000 1.307 116 A HN 0.980 nan 8.150 nan 0.000 0.408 117 H N 0.744 119.761 119.070 -0.089 0.000 2.422 117 H HA -0.074 4.482 4.556 -0.000 0.000 0.298 117 H C 0.907 176.316 175.328 0.135 0.000 1.098 117 H CA 1.869 57.977 56.048 0.100 0.000 1.315 117 H CB 0.181 29.967 29.762 0.041 0.000 1.382 117 H HN 0.643 nan 8.280 nan 0.000 0.523 118 K N 0.242 120.749 120.400 0.180 0.000 2.486 118 K HA 0.019 4.339 4.320 -0.000 0.000 0.194 118 K C 1.736 178.405 176.600 0.114 0.000 1.033 118 K CA 0.518 56.886 56.287 0.135 0.000 1.004 118 K CB 0.361 32.921 32.500 0.099 0.000 0.798 118 K HN 0.177 nan 8.250 nan 0.000 0.495 119 G N 0.996 109.883 108.800 0.145 0.000 3.337 119 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.246 119 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.246 119 G C -0.277 174.729 174.900 0.177 0.000 1.131 119 G CA -0.178 45.024 45.100 0.170 0.000 0.773 119 G HN 0.161 nan 8.290 nan 0.000 0.544 120 E N 0.164 120.458 120.200 0.157 0.000 2.266 120 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 120 E C -1.636 174.964 176.600 -0.001 0.000 0.879 120 E CA -0.584 55.860 56.400 0.074 0.000 0.762 120 E CB 2.692 32.552 29.700 0.265 0.000 1.199 120 E HN -0.120 nan 8.360 nan 0.000 0.422 121 V N 2.450 122.249 119.914 -0.191 0.000 2.482 121 V HA 0.630 4.749 4.120 -0.000 0.000 0.295 121 V C -0.733 175.225 176.094 -0.227 0.000 1.026 121 V CA -0.603 61.627 62.300 -0.117 0.000 0.856 121 V CB 1.329 33.142 31.823 -0.017 0.000 1.001 121 V HN 0.743 nan 8.190 nan 0.000 0.424 122 A N 3.733 126.521 122.820 -0.053 0.000 2.291 122 A HA 0.908 5.228 4.320 -0.000 0.000 0.311 122 A C 0.038 177.554 177.584 -0.113 0.000 1.224 122 A CA -0.278 51.772 52.037 0.021 0.000 0.821 122 A CB 1.286 20.396 19.000 0.183 0.000 1.172 122 A HN 0.936 nan 8.150 nan 0.000 0.494 123 T N -0.186 114.224 114.554 -0.241 0.000 2.901 123 T HA 0.684 5.034 4.350 -0.000 0.000 0.293 123 T C -2.483 171.884 174.700 -0.556 0.000 1.084 123 T CA -1.837 59.972 62.100 -0.485 0.000 1.008 123 T CB 1.797 70.165 68.868 -0.832 0.000 1.170 123 T HN 0.117 nan 8.240 nan 0.000 0.509 124 P HA -0.049 nan 4.420 nan 0.000 0.218 124 P C 0.932 178.102 177.300 -0.217 0.000 1.148 124 P CA 1.135 63.850 63.100 -0.642 0.000 0.822 124 P CB -0.323 30.592 31.700 -1.308 0.000 0.784 125 Y N -4.015 116.266 120.300 -0.033 0.000 2.462 125 Y HA 0.423 4.973 4.550 -0.000 0.000 0.261 125 Y C 0.331 176.328 175.900 0.161 0.000 1.146 125 Y CA -0.972 57.216 58.100 0.146 0.000 1.283 125 Y CB -0.311 38.261 38.460 0.185 0.000 1.090 125 Y HN -0.131 nan 8.280 nan 0.000 0.526 126 Y N 0.299 120.366 120.300 -0.389 0.000 2.474 126 Y HA 0.471 5.021 4.550 -0.000 0.000 0.326 126 Y C -2.411 173.375 175.900 -0.189 0.000 1.160 126 Y CA -2.326 55.633 58.100 -0.234 0.000 1.056 126 Y CB 1.145 39.485 38.460 -0.200 0.000 1.330 126 Y HN 0.019 nan 8.280 nan 0.000 0.447 127 Y N 6.032 125.846 120.300 -0.811 0.000 2.421 127 Y HA 0.607 5.157 4.550 -0.000 0.000 0.339 127 Y C -1.589 173.820 175.900 -0.819 0.000 0.996 127 Y CA -0.900 56.830 58.100 -0.618 0.000 1.046 127 Y CB 1.561 39.836 38.460 -0.309 0.000 1.226 127 Y HN 0.692 nan 8.280 nan 0.000 0.445 128 K N 5.390 125.103 120.400 -1.145 0.000 2.422 128 K HA 0.810 5.130 4.320 -0.000 0.000 0.251 128 K C -2.422 173.794 176.600 -0.641 0.000 0.933 128 K CA -0.849 55.012 56.287 -0.710 0.000 0.798 128 K CB 2.243 34.519 32.500 -0.372 0.000 1.238 128 K HN 0.560 nan 8.250 nan 0.000 0.428 129 V N 4.396 124.174 119.914 -0.226 0.000 2.932 129 V HA 0.387 4.507 4.120 -0.000 0.000 0.307 129 V C -1.997 174.212 176.094 0.192 0.000 1.147 129 V CA -0.743 61.565 62.300 0.012 0.000 0.951 129 V CB 1.801 33.707 31.823 0.138 0.000 1.031 129 V HN 0.814 nan 8.190 nan 0.000 0.426 130 Y N 6.362 126.731 120.300 0.115 0.000 2.425 130 Y HA 0.566 5.116 4.550 -0.000 0.000 0.347 130 Y C -0.148 175.875 175.900 0.205 0.000 0.976 130 Y CA -0.697 57.486 58.100 0.137 0.000 1.190 130 Y CB 0.931 39.456 38.460 0.108 0.000 1.136 130 Y HN 0.578 nan 8.280 nan 0.000 0.517 131 L N 7.705 128.789 121.223 -0.232 0.000 2.385 131 L HA 0.258 4.598 4.340 -0.000 0.000 0.285 131 L C 1.278 177.868 176.870 -0.467 0.000 1.125 131 L CA 0.003 54.756 54.840 -0.144 0.000 0.890 131 L CB 0.450 42.571 42.059 0.104 0.000 1.251 131 L HN 0.895 nan 8.230 nan 0.000 0.445 132 A N 2.704 125.340 122.820 -0.307 0.000 1.968 132 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 132 A C 1.938 179.434 177.584 -0.148 0.000 1.169 132 A CA 1.042 52.922 52.037 -0.262 0.000 0.638 132 A CB -0.118 18.922 19.000 0.068 0.000 0.812 132 A HN 0.794 nan 8.150 nan 0.000 0.446 133 E N -1.081 119.024 120.200 -0.158 0.000 2.435 133 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 133 E C 0.912 177.332 176.600 -0.300 0.000 1.029 133 E CA 0.600 56.867 56.400 -0.220 0.000 0.865 133 E CB -0.059 29.488 29.700 -0.254 0.000 0.833 133 E HN 0.718 nan 8.360 nan 0.000 0.510 134 H N -0.062 118.995 119.070 -0.023 0.000 2.740 134 H HA 0.032 4.588 4.556 -0.000 0.000 0.265 134 H C 0.152 175.486 175.328 0.011 0.000 0.978 134 H CA 0.428 56.486 56.048 0.017 0.000 1.198 134 H CB 0.498 30.282 29.762 0.036 0.000 1.467 134 H HN 0.078 nan 8.280 nan 0.000 0.511 135 D N 0.890 121.284 120.400 -0.011 0.000 2.689 135 D HA -0.186 4.454 4.640 -0.000 0.000 0.237 135 D C -0.698 175.664 176.300 0.103 0.000 1.148 135 D CA 0.283 54.312 54.000 0.048 0.000 0.656 135 D CB -1.705 39.215 40.800 0.199 0.000 1.050 135 D HN 0.396 nan 8.370 nan 0.000 0.426 136 I N 0.019 120.566 120.570 -0.039 0.000 2.433 136 I HA 0.356 4.526 4.170 -0.000 0.000 0.292 136 I C 0.405 176.552 176.117 0.051 0.000 1.001 136 I CA -1.255 60.045 61.300 0.001 0.000 1.119 136 I CB 2.054 40.003 38.000 -0.084 0.000 1.289 136 I HN -0.206 nan 8.210 nan 0.000 0.438 137 V N 4.773 124.770 119.914 0.138 0.000 2.509 137 V HA 0.373 4.493 4.120 -0.000 0.000 0.284 137 V C 0.173 176.301 176.094 0.057 0.000 1.047 137 V CA -0.181 62.217 62.300 0.163 0.000 0.952 137 V CB 1.494 33.417 31.823 0.168 0.000 0.988 137 V HN 0.731 nan 8.190 nan 0.000 0.469 138 T N 5.079 119.649 114.554 0.025 0.000 2.829 138 T HA 0.579 4.929 4.350 -0.000 0.000 0.280 138 T C -0.609 173.944 174.700 -0.244 0.000 0.999 138 T CA -0.593 61.439 62.100 -0.112 0.000 0.983 138 T CB 1.318 70.001 68.868 -0.309 0.000 0.968 138 T HN 0.776 nan 8.240 nan 0.000 0.446 139 E N 2.640 122.627 120.200 -0.355 0.000 2.317 139 E HA 0.693 5.043 4.350 -0.000 0.000 0.270 139 E C -0.702 175.530 176.600 -0.614 0.000 0.885 139 E CA -0.963 55.166 56.400 -0.452 0.000 0.760 139 E CB 2.485 32.021 29.700 -0.273 0.000 1.227 139 E HN 0.637 nan 8.360 nan 0.000 0.434 140 M N -0.560 118.634 119.600 -0.677 0.000 2.371 140 M HA 0.564 5.044 4.480 -0.000 0.000 0.287 140 M C -1.425 174.581 176.300 -0.491 0.000 1.149 140 M CA -0.776 54.004 55.300 -0.866 0.000 0.929 140 M CB 2.189 33.954 32.600 -1.392 0.000 1.683 140 M HN 0.387 nan 8.290 nan 0.000 0.470 141 T N 0.703 115.031 114.554 -0.376 0.000 2.906 141 T HA 0.695 5.045 4.350 -0.000 0.000 0.302 141 T C -3.058 171.559 174.700 -0.138 0.000 1.002 141 T CA -1.348 60.684 62.100 -0.113 0.000 0.988 141 T CB 1.413 70.303 68.868 0.036 0.000 0.972 141 T HN 0.577 nan 8.240 nan 0.000 0.447 142 P HA 0.418 nan 4.420 nan 0.000 0.282 142 P C 0.136 177.493 177.300 0.094 0.000 1.259 142 P CA -0.283 62.816 63.100 -0.002 0.000 0.826 142 P CB 1.442 33.236 31.700 0.156 0.000 1.064 143 T N -2.553 112.067 114.554 0.110 0.000 2.855 143 T HA 0.288 4.638 4.350 -0.000 0.000 0.275 143 T C 1.236 176.043 174.700 0.177 0.000 1.022 143 T CA -0.384 61.793 62.100 0.127 0.000 0.977 143 T CB 0.170 69.097 68.868 0.098 0.000 1.559 143 T HN 0.323 nan 8.240 nan 0.000 0.600 144 E N 0.180 120.471 120.200 0.152 0.000 2.150 144 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 144 E C 1.961 178.678 176.600 0.195 0.000 0.985 144 E CA 0.903 57.404 56.400 0.169 0.000 0.814 144 E CB 0.026 29.796 29.700 0.117 0.000 0.752 144 E HN 0.459 nan 8.360 nan 0.000 0.466 145 R N -1.427 119.183 120.500 0.183 0.000 2.544 145 R HA 0.330 4.670 4.340 -0.000 0.000 0.303 145 R C 0.063 176.518 176.300 0.259 0.000 0.939 145 R CA 0.037 56.258 56.100 0.201 0.000 1.102 145 R CB 1.493 31.873 30.300 0.132 0.000 1.440 145 R HN -0.061 nan 8.270 nan 0.000 0.532 146 A N 0.521 123.478 122.820 0.227 0.000 2.443 146 A HA 0.857 5.177 4.320 -0.000 0.000 0.278 146 A C -1.298 176.350 177.584 0.107 0.000 1.252 146 A CA -0.652 51.508 52.037 0.204 0.000 0.816 146 A CB 2.069 21.146 19.000 0.130 0.000 1.369 146 A HN -0.065 nan 8.150 nan 0.000 0.446 147 V N -0.764 119.121 119.914 -0.048 0.000 3.177 147 V HA 0.570 4.690 4.120 -0.000 0.000 0.287 147 V C -2.271 173.665 176.094 -0.264 0.000 1.465 147 V CA -0.480 61.644 62.300 -0.294 0.000 1.020 147 V CB 1.976 33.282 31.823 -0.862 0.000 1.152 147 V HN 1.427 nan 8.190 nan 0.000 0.448 148 L N 5.308 126.340 121.223 -0.318 0.000 2.313 148 L HA 0.786 5.126 4.340 -0.000 0.000 0.283 148 L C -1.442 175.164 176.870 -0.439 0.000 1.013 148 L CA 0.107 54.801 54.840 -0.243 0.000 0.816 148 L CB 1.406 43.370 42.059 -0.157 0.000 1.236 148 L HN 0.555 nan 8.230 nan 0.000 0.419 149 F N 4.165 123.853 119.950 -0.437 0.000 2.443 149 F HA 0.618 5.145 4.527 -0.000 0.000 0.335 149 F C 0.271 175.676 175.800 -0.658 0.000 1.104 149 F CA -0.356 57.251 58.000 -0.654 0.000 1.013 149 F CB 1.507 39.984 39.000 -0.872 0.000 1.136 149 F HN 0.437 nan 8.300 nan 0.000 0.470 150 R N 4.016 124.206 120.500 -0.516 0.000 2.409 150 R HA 0.500 4.840 4.340 -0.000 0.000 0.313 150 R C -1.918 174.112 176.300 -0.450 0.000 0.953 150 R CA -0.465 55.413 56.100 -0.371 0.000 0.849 150 R CB 0.630 30.828 30.300 -0.169 0.000 1.171 150 R HN 0.539 nan 8.270 nan 0.000 0.458 151 F N 2.264 122.215 119.950 0.001 0.000 2.415 151 F HA 0.316 4.843 4.527 -0.000 0.000 0.348 151 F C 0.399 176.093 175.800 -0.176 0.000 1.119 151 F CA -0.765 57.135 58.000 -0.167 0.000 1.069 151 F CB 2.271 41.108 39.000 -0.272 0.000 1.124 151 F HN 0.283 nan 8.300 nan 0.000 0.472 152 T N 4.622 119.156 114.554 -0.034 0.000 2.929 152 T HA 0.370 4.720 4.350 -0.000 0.000 0.331 152 T C -0.372 174.315 174.700 -0.022 0.000 1.120 152 T CA -0.397 61.718 62.100 0.026 0.000 0.973 152 T CB -0.312 68.592 68.868 0.061 0.000 1.036 152 T HN 0.155 nan 8.240 nan 0.000 0.502 153 F N 4.836 124.877 119.950 0.151 0.000 2.380 153 F HA 0.430 4.957 4.527 -0.000 0.000 0.325 153 F C -1.473 174.393 175.800 0.110 0.000 1.136 153 F CA -2.043 56.035 58.000 0.131 0.000 1.171 153 F CB 0.717 39.780 39.000 0.106 0.000 1.230 153 F HN 0.296 nan 8.300 nan 0.000 0.554 154 P HA 0.076 nan 4.420 nan 0.000 0.284 154 P C -1.133 176.268 177.300 0.168 0.000 1.292 154 P CA -0.634 62.593 63.100 0.212 0.000 0.800 154 P CB 0.618 32.437 31.700 0.197 0.000 1.188 155 E N 1.189 121.456 120.200 0.111 0.000 2.415 155 E HA 0.038 4.388 4.350 -0.000 0.000 0.260 155 E C -0.545 176.090 176.600 0.058 0.000 1.016 155 E CA 0.263 56.704 56.400 0.067 0.000 0.924 155 E CB -0.214 29.515 29.700 0.049 0.000 0.961 155 E HN 0.283 nan 8.360 nan 0.000 0.459 156 N N 3.531 122.242 118.700 0.018 0.000 2.815 156 N HA 0.033 4.773 4.740 -0.000 0.000 0.253 156 N C -1.065 174.378 175.510 -0.112 0.000 1.202 156 N CA -0.468 52.576 53.050 -0.009 0.000 0.925 156 N CB 1.617 40.129 38.487 0.041 0.000 1.622 156 N HN 0.394 nan 8.380 nan 0.000 0.497 157 D N -0.279 120.000 120.400 -0.201 0.000 2.348 157 D HA 0.062 4.702 4.640 -0.000 0.000 0.211 157 D C -0.288 175.630 176.300 -0.637 0.000 0.998 157 D CA 1.027 54.782 54.000 -0.410 0.000 0.873 157 D CB 0.235 40.730 40.800 -0.507 0.000 0.925 157 D HN 0.374 nan 8.370 nan 0.000 0.524 158 H N 0.188 119.134 119.070 -0.206 0.000 2.423 158 H HA 0.401 4.957 4.556 -0.000 0.000 0.237 158 H C -0.446 174.531 175.328 -0.586 0.000 1.391 158 H CA -0.212 55.578 56.048 -0.429 0.000 1.453 158 H CB 0.388 30.075 29.762 -0.124 0.000 1.484 158 H HN -0.205 nan 8.280 nan 0.000 0.505 159 S N 2.116 117.412 115.700 -0.673 0.000 2.472 159 S HA 0.582 5.052 4.470 -0.000 0.000 0.303 159 S C -0.687 173.358 174.600 -0.924 0.000 1.099 159 S CA -0.522 57.329 58.200 -0.582 0.000 1.077 159 S CB 1.133 63.925 63.200 -0.680 0.000 1.031 159 S HN 0.349 nan 8.310 nan 0.000 0.487 160 Y N 0.027 120.169 120.300 -0.263 0.000 2.605 160 Y HA 0.685 5.235 4.550 -0.000 0.000 0.343 160 Y C -0.447 175.331 175.900 -0.204 0.000 1.036 160 Y CA -1.157 56.725 58.100 -0.365 0.000 1.065 160 Y CB 1.351 39.616 38.460 -0.326 0.000 1.288 160 Y HN 0.306 nan 8.280 nan 0.000 0.481 161 V N 2.235 122.086 119.914 -0.104 0.000 2.525 161 V HA 0.437 4.557 4.120 -0.000 0.000 0.299 161 V C -0.847 175.226 176.094 -0.035 0.000 1.034 161 V CA -0.902 61.353 62.300 -0.075 0.000 0.863 161 V CB 1.587 33.405 31.823 -0.007 0.000 0.999 161 V HN 0.538 nan 8.190 nan 0.000 0.423 162 V N 5.395 125.309 119.914 -0.001 0.000 2.439 162 V HA 0.478 4.598 4.120 -0.000 0.000 0.282 162 V C -0.084 176.090 176.094 0.133 0.000 1.039 162 V CA -0.473 61.867 62.300 0.068 0.000 0.913 162 V CB 1.852 33.687 31.823 0.020 0.000 0.983 162 V HN 0.608 nan 8.190 nan 0.000 0.460 163 V N 3.859 123.901 119.914 0.215 0.000 2.409 163 V HA 0.420 4.540 4.120 -0.000 0.000 0.291 163 V C -0.582 175.736 176.094 0.373 0.000 1.020 163 V CA -0.465 61.989 62.300 0.257 0.000 0.848 163 V CB 1.825 33.800 31.823 0.255 0.000 0.990 163 V HN 0.907 nan 8.190 nan 0.000 0.430 164 D N 4.128 124.747 120.400 0.363 0.000 2.440 164 D HA 0.505 5.145 4.640 -0.000 0.000 0.239 164 D C 0.546 177.151 176.300 0.507 0.000 1.084 164 D CA -0.367 53.954 54.000 0.534 0.000 0.843 164 D CB 2.128 43.162 40.800 0.389 0.000 1.097 164 D HN 0.556 nan 8.370 nan 0.000 0.531 165 A N 3.972 127.100 122.820 0.514 0.000 2.278 165 A HA 0.282 4.602 4.320 -0.000 0.000 0.212 165 A C 0.416 178.297 177.584 0.495 0.000 1.213 165 A CA -0.043 52.246 52.037 0.421 0.000 0.840 165 A CB -0.562 18.687 19.000 0.414 0.000 0.866 165 A HN 0.548 nan 8.150 nan 0.000 0.489 166 F N -0.718 119.374 119.950 0.237 0.000 2.183 166 F HA -0.177 4.350 4.527 -0.000 0.000 0.318 166 F C 0.438 176.040 175.800 -0.329 0.000 0.255 166 F CA 0.550 58.512 58.000 -0.064 0.000 0.912 166 F CB -1.118 37.892 39.000 0.017 0.000 4.135 166 F HN 0.577 nan 8.300 nan 0.000 0.137 167 D N -0.237 120.026 120.400 -0.228 0.000 2.627 167 D HA 0.428 5.068 4.640 -0.000 0.000 0.259 167 D C -0.148 176.175 176.300 0.039 0.000 1.164 167 D CA 0.158 54.044 54.000 -0.190 0.000 1.087 167 D CB 0.912 41.532 40.800 -0.299 0.000 1.217 167 D HN 0.560 nan 8.370 nan 0.000 0.630 168 K N -1.262 119.170 120.400 0.053 0.000 3.281 168 K HA -0.047 4.273 4.320 -0.000 0.000 0.295 168 K C 0.214 176.895 176.600 0.135 0.000 1.233 168 K CA 0.931 57.275 56.287 0.095 0.000 0.866 168 K CB -2.159 30.404 32.500 0.105 0.000 1.265 168 K HN 1.308 nan 8.250 nan 0.000 0.482 169 G N 0.412 109.298 108.800 0.144 0.000 3.199 169 G HA2 0.066 4.026 3.960 -0.000 0.000 0.680 169 G HA3 0.066 4.026 3.960 -0.000 0.000 0.680 169 G C -0.389 174.642 174.900 0.219 0.000 1.197 169 G CA -0.058 45.149 45.100 0.179 0.000 1.143 169 G HN 0.814 nan 8.290 nan 0.000 0.492 170 S N 1.132 116.924 115.700 0.154 0.000 2.638 170 S HA 0.894 5.364 4.470 -0.000 0.000 0.274 170 S C -1.073 173.436 174.600 -0.151 0.000 1.157 170 S CA -0.958 57.266 58.200 0.040 0.000 0.826 170 S CB 2.864 66.148 63.200 0.141 0.000 1.139 170 S HN 2.017 nan 8.310 nan 0.000 0.474 171 Y N 0.332 120.232 120.300 -0.666 0.000 2.504 171 Y HA 0.834 5.384 4.550 -0.000 0.000 0.344 171 Y C -1.867 173.796 175.900 -0.395 0.000 1.023 171 Y CA -1.119 56.577 58.100 -0.673 0.000 1.020 171 Y CB 1.570 39.222 38.460 -1.346 0.000 1.282 171 Y HN 1.001 nan 8.280 nan 0.000 0.454 172 I N 4.962 124.857 120.570 -1.125 0.000 2.722 172 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 172 I C -2.007 173.597 176.117 -0.856 0.000 1.267 172 I CA -0.482 60.337 61.300 -0.802 0.000 1.036 172 I CB 2.064 39.887 38.000 -0.295 0.000 1.281 172 I HN 0.661 nan 8.210 nan 0.000 0.423 173 K N 8.025 128.070 120.400 -0.592 0.000 2.601 173 K HA 0.604 4.924 4.320 -0.000 0.000 0.249 173 K C -1.819 174.683 176.600 -0.163 0.000 0.966 173 K CA -0.481 55.601 56.287 -0.342 0.000 0.827 173 K CB 1.179 33.515 32.500 -0.274 0.000 1.178 173 K HN 0.591 nan 8.250 nan 0.000 0.437 174 I N 5.983 126.491 120.570 -0.104 0.000 2.416 174 I HA 0.235 4.405 4.170 -0.000 0.000 0.288 174 I C 0.036 176.177 176.117 0.040 0.000 1.051 174 I CA -0.537 60.752 61.300 -0.019 0.000 1.375 174 I CB 0.828 38.791 38.000 -0.063 0.000 1.407 174 I HN 0.536 nan 8.210 nan 0.000 0.516 175 I N 8.442 129.085 120.570 0.122 0.000 2.621 175 I HA 0.218 4.388 4.170 -0.000 0.000 0.276 175 I C -1.730 174.485 176.117 0.162 0.000 1.118 175 I CA -1.597 59.764 61.300 0.101 0.000 1.159 175 I CB 0.746 38.780 38.000 0.056 0.000 1.357 175 I HN 0.343 nan 8.210 nan 0.000 0.513 176 P HA -0.236 nan 4.420 nan 0.000 0.217 176 P C 1.305 178.584 177.300 -0.034 0.000 1.151 176 P CA 1.406 64.585 63.100 0.131 0.000 0.849 176 P CB 0.081 31.848 31.700 0.111 0.000 0.787 177 E N 0.230 120.428 120.200 -0.005 0.000 2.478 177 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 177 E C 0.684 177.267 176.600 -0.029 0.000 1.046 177 E CA 0.961 57.345 56.400 -0.027 0.000 0.870 177 E CB -0.598 29.096 29.700 -0.011 0.000 0.818 177 E HN 0.439 nan 8.360 nan 0.000 0.527 178 E N 0.749 120.943 120.200 -0.010 0.000 2.693 178 E HA 0.123 4.473 4.350 -0.000 0.000 0.214 178 E C -0.516 176.096 176.600 0.018 0.000 0.990 178 E CA -0.439 55.966 56.400 0.008 0.000 1.047 178 E CB 0.183 29.904 29.700 0.036 0.000 1.039 178 E HN 0.028 nan 8.360 nan 0.000 0.475 179 N N 2.404 121.044 118.700 -0.100 0.000 2.708 179 N HA -0.221 4.519 4.740 -0.000 0.000 0.251 179 N C -0.500 175.240 175.510 0.383 0.000 1.017 179 N CA 1.307 54.218 53.050 -0.232 0.000 0.742 179 N CB -0.929 37.460 38.487 -0.164 0.000 0.943 179 N HN 0.373 nan 8.380 nan 0.000 0.539 180 K N 0.229 120.884 120.400 0.425 0.000 2.385 180 K HA 0.682 5.002 4.320 -0.000 0.000 0.248 180 K C -0.908 175.921 176.600 0.382 0.000 0.955 180 K CA -0.645 55.881 56.287 0.398 0.000 0.816 180 K CB 1.548 34.166 32.500 0.196 0.000 1.250 180 K HN 0.070 nan 8.250 nan 0.000 0.434 181 I N 5.327 126.090 120.570 0.322 0.000 2.533 181 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 181 I C -0.380 175.814 176.117 0.128 0.000 1.056 181 I CA -0.958 60.465 61.300 0.205 0.000 1.057 181 I CB 1.888 40.046 38.000 0.263 0.000 1.240 181 I HN 0.621 nan 8.210 nan 0.000 0.423 182 I N 2.473 123.020 120.570 -0.039 0.000 2.910 182 I HA 1.071 5.241 4.170 -0.000 0.000 0.310 182 I C -0.047 175.837 176.117 -0.388 0.000 1.043 182 I CA -0.481 60.719 61.300 -0.167 0.000 1.053 182 I CB 2.258 40.068 38.000 -0.316 0.000 1.242 182 I HN 0.605 nan 8.210 nan 0.000 0.452 183 G N 1.787 110.163 108.800 -0.706 0.000 2.430 183 G HA2 0.533 4.493 3.960 -0.000 0.000 0.300 183 G HA3 0.533 4.493 3.960 -0.000 0.000 0.300 183 G C -2.127 172.287 174.900 -0.810 0.000 1.330 183 G CA -0.552 44.068 45.100 -0.799 0.000 0.813 183 G HN 1.043 nan 8.290 nan 0.000 0.487 184 Y N -1.864 118.262 120.300 -0.289 0.000 2.588 184 Y HA 0.872 5.422 4.550 -0.000 0.000 0.343 184 Y C -0.393 175.557 175.900 0.084 0.000 1.065 184 Y CA -1.072 56.882 58.100 -0.244 0.000 1.038 184 Y CB 1.786 40.001 38.460 -0.407 0.000 1.297 184 Y HN 0.811 nan 8.280 nan 0.000 0.467 185 T N -0.079 114.671 114.554 0.327 0.000 2.893 185 T HA 0.527 4.877 4.350 -0.000 0.000 0.291 185 T C 0.202 175.063 174.700 0.269 0.000 1.028 185 T CA 0.143 62.433 62.100 0.317 0.000 0.995 185 T CB 1.391 70.443 68.868 0.307 0.000 1.051 185 T HN 1.156 nan 8.240 nan 0.000 0.470 186 T N 0.773 115.529 114.554 0.338 0.000 2.969 186 T HA 0.283 4.633 4.350 -0.000 0.000 0.258 186 T C 0.870 175.856 174.700 0.477 0.000 0.962 186 T CA -0.375 61.982 62.100 0.428 0.000 0.903 186 T CB -0.213 68.856 68.868 0.335 0.000 1.177 186 T HN 0.687 nan 8.240 nan 0.000 0.511 187 R N 3.486 124.198 120.500 0.354 0.000 2.486 187 R HA 0.034 4.374 4.340 -0.000 0.000 0.304 187 R C 0.011 176.483 176.300 0.286 0.000 0.913 187 R CA 0.837 57.107 56.100 0.283 0.000 1.124 187 R CB -0.035 30.442 30.300 0.295 0.000 0.891 187 R HN 0.744 nan 8.270 nan 0.000 0.410 188 N N 1.437 120.242 118.700 0.175 0.000 3.278 188 N HA 0.162 4.902 4.740 -0.000 0.000 0.307 188 N C -1.000 174.540 175.510 0.050 0.000 1.551 188 N CA -0.967 52.143 53.050 0.099 0.000 0.794 188 N CB 1.590 40.000 38.487 -0.128 0.000 1.770 188 N HN 0.359 nan 8.380 nan 0.000 0.612 189 S N -1.387 114.318 115.700 0.009 0.000 2.749 189 S HA 0.498 4.968 4.470 -0.000 0.000 0.246 189 S C 0.343 174.914 174.600 -0.049 0.000 1.023 189 S CA 0.171 58.371 58.200 0.001 0.000 1.012 189 S CB -0.094 63.120 63.200 0.023 0.000 0.942 189 S HN 1.102 nan 8.310 nan 0.000 0.531 190 G N 0.301 109.044 108.800 -0.095 0.000 2.603 190 G HA2 0.364 4.324 3.960 -0.000 0.000 0.686 190 G HA3 0.364 4.324 3.960 -0.000 0.000 0.686 190 G C 0.392 175.172 174.900 -0.200 0.000 1.286 190 G CA -0.382 44.648 45.100 -0.117 0.000 0.871 190 G HN 1.173 nan 8.290 nan 0.000 0.568 191 G N -2.498 106.191 108.800 -0.184 0.000 2.176 191 G HA2 0.272 4.232 3.960 -0.000 0.000 0.252 191 G HA3 0.272 4.232 3.960 -0.000 0.000 0.252 191 G C 0.871 175.548 174.900 -0.371 0.000 1.024 191 G CA 1.490 46.438 45.100 -0.252 0.000 0.755 191 G HN 2.482 nan 8.290 nan 0.000 0.507 192 V N -3.253 116.478 119.914 -0.306 0.000 2.823 192 V HA 0.940 5.059 4.120 -0.000 0.000 0.312 192 V C -1.796 174.248 176.094 -0.084 0.000 1.072 192 V CA -2.492 59.630 62.300 -0.297 0.000 0.937 192 V CB 1.959 33.474 31.823 -0.514 0.000 1.013 192 V HN 0.065 nan 8.190 nan 0.000 0.430 193 P HA 0.325 nan 4.420 nan 0.000 0.275 193 P C 0.810 178.200 177.300 0.150 0.000 1.266 193 P CA -0.344 62.805 63.100 0.082 0.000 0.793 193 P CB 0.512 32.264 31.700 0.086 0.000 1.074 194 E N 0.814 121.087 120.200 0.122 0.000 2.097 194 E HA -0.254 4.095 4.350 -0.000 0.000 0.196 194 E C 1.022 177.706 176.600 0.139 0.000 1.000 194 E CA 1.540 58.008 56.400 0.113 0.000 0.804 194 E CB -0.699 29.051 29.700 0.083 0.000 0.740 194 E HN 0.479 nan 8.360 nan 0.000 0.454 195 N N 1.148 119.951 118.700 0.172 0.000 2.398 195 N HA -0.100 4.640 4.740 -0.000 0.000 0.188 195 N C 0.286 175.858 175.510 0.104 0.000 1.122 195 N CA -0.236 52.892 53.050 0.130 0.000 0.866 195 N CB -0.665 37.901 38.487 0.131 0.000 0.970 195 N HN 0.113 nan 8.380 nan 0.000 0.462 196 F N 2.340 122.338 119.950 0.080 0.000 2.604 196 F HA -0.011 4.516 4.527 -0.000 0.000 0.390 196 F C 0.110 175.800 175.800 -0.183 0.000 1.053 196 F CA 0.500 58.482 58.000 -0.029 0.000 1.256 196 F CB 0.375 39.424 39.000 0.081 0.000 0.996 196 F HN -0.045 nan 8.300 nan 0.000 0.564 197 K N 4.837 124.493 120.400 -1.241 0.000 2.532 197 K HA 0.214 4.534 4.320 -0.000 0.000 0.265 197 K C -1.363 174.429 176.600 -1.347 0.000 0.948 197 K CA -1.150 54.382 56.287 -1.259 0.000 0.842 197 K CB 1.844 33.518 32.500 -1.376 0.000 1.392 197 K HN 0.653 nan 8.250 nan 0.000 0.436 198 N N 2.300 120.453 118.700 -0.911 0.000 2.446 198 N HA 0.232 4.972 4.740 -0.000 0.000 0.265 198 N C -1.425 173.768 175.510 -0.528 0.000 0.975 198 N CA -0.328 52.308 53.050 -0.690 0.000 0.928 198 N CB 0.675 38.981 38.487 -0.301 0.000 1.160 198 N HN 0.431 nan 8.380 nan 0.000 0.495 199 Y N 4.136 124.190 120.300 -0.411 0.000 2.383 199 Y HA 0.280 4.830 4.550 -0.000 0.000 0.344 199 Y C 0.077 175.869 175.900 -0.180 0.000 0.986 199 Y CA -0.805 57.013 58.100 -0.470 0.000 1.175 199 Y CB 0.366 38.369 38.460 -0.762 0.000 1.152 199 Y HN 0.322 nan 8.280 nan 0.000 0.511 200 F N 1.668 121.629 119.950 0.019 0.000 2.561 200 F HA 0.902 5.429 4.527 -0.000 0.000 0.321 200 F C -1.232 174.657 175.800 0.148 0.000 1.065 200 F CA -1.877 56.106 58.000 -0.027 0.000 0.934 200 F CB 1.132 39.798 39.000 -0.558 0.000 1.215 200 F HN 0.172 nan 8.300 nan 0.000 0.471 201 I N 3.292 124.066 120.570 0.341 0.000 2.582 201 I HA 0.486 4.656 4.170 -0.000 0.000 0.292 201 I C -1.053 175.227 176.117 0.273 0.000 1.066 201 I CA -0.779 60.676 61.300 0.259 0.000 1.053 201 I CB 2.432 40.550 38.000 0.196 0.000 1.241 201 I HN 0.586 nan 8.210 nan 0.000 0.421 202 I N 5.142 125.854 120.570 0.237 0.000 2.468 202 I HA 0.335 4.505 4.170 -0.000 0.000 0.285 202 I C -0.749 175.432 176.117 0.107 0.000 1.039 202 I CA -0.474 60.916 61.300 0.148 0.000 1.074 202 I CB 1.826 39.941 38.000 0.191 0.000 1.228 202 I HN 0.517 nan 8.210 nan 0.000 0.436 203 E N 5.929 126.130 120.200 0.001 0.000 2.145 203 E HA 0.499 4.849 4.350 -0.000 0.000 0.270 203 E C -1.286 175.285 176.600 -0.047 0.000 0.906 203 E CA -0.630 55.812 56.400 0.070 0.000 0.761 203 E CB 1.987 31.733 29.700 0.076 0.000 1.116 203 E HN 0.262 nan 8.360 nan 0.000 0.408 204 F N 1.556 121.660 119.950 0.256 0.000 2.378 204 F HA 0.139 4.666 4.527 -0.000 0.000 0.325 204 F C 1.278 177.162 175.800 0.141 0.000 1.097 204 F CA -0.716 57.446 58.000 0.269 0.000 1.079 204 F CB 0.826 40.109 39.000 0.472 0.000 1.240 204 F HN 0.433 nan 8.300 nan 0.000 0.519 205 D N 0.017 120.593 120.400 0.294 0.000 2.525 205 D HA 0.100 4.740 4.640 -0.000 0.000 0.229 205 D C -0.338 176.021 176.300 0.098 0.000 1.202 205 D CA -0.185 53.900 54.000 0.142 0.000 0.828 205 D CB 0.049 40.903 40.800 0.090 0.000 1.008 205 D HN 0.426 nan 8.370 nan 0.000 0.493 206 K N 1.057 121.539 120.400 0.138 0.000 2.565 206 K HA 0.313 4.633 4.320 -0.000 0.000 0.251 206 K C -3.121 173.512 176.600 0.054 0.000 0.956 206 K CA -1.708 54.589 56.287 0.017 0.000 0.809 206 K CB 2.322 34.710 32.500 -0.186 0.000 1.267 206 K HN -0.223 nan 8.250 nan 0.000 0.438 207 P HA 0.047 nan 4.420 nan 0.000 0.267 207 P C -0.735 176.596 177.300 0.052 0.000 1.200 207 P CA 0.012 63.011 63.100 -0.170 0.000 0.772 207 P CB 0.148 31.791 31.700 -0.096 0.000 0.855 208 F N 0.163 120.174 119.950 0.101 0.000 2.412 208 F HA 0.239 4.766 4.527 -0.000 0.000 0.348 208 F C 1.859 177.669 175.800 0.017 0.000 1.102 208 F CA -0.262 57.750 58.000 0.020 0.000 1.196 208 F CB -0.176 38.776 39.000 -0.080 0.000 1.144 208 F HN 0.180 nan 8.300 nan 0.000 0.541 209 T N 1.539 116.209 114.554 0.194 0.000 3.023 209 T HA 0.065 4.415 4.350 -0.000 0.000 0.253 209 T C -1.140 173.647 174.700 0.144 0.000 1.038 209 T CA 0.368 62.543 62.100 0.124 0.000 0.962 209 T CB -0.398 68.523 68.868 0.089 0.000 1.018 209 T HN 0.478 nan 8.240 nan 0.000 0.521 210 Y N 1.010 121.297 120.300 -0.021 0.000 2.479 210 Y HA 0.555 5.105 4.550 -0.000 0.000 0.338 210 Y C -1.029 174.823 175.900 -0.080 0.000 1.055 210 Y CA -1.024 57.062 58.100 -0.023 0.000 1.023 210 Y CB 0.708 39.179 38.460 0.019 0.000 1.287 210 Y HN -0.158 nan 8.280 nan 0.000 0.447 211 K N 2.789 122.784 120.400 -0.675 0.000 2.525 211 K HA 0.999 5.319 4.320 -0.000 0.000 0.254 211 K C -1.942 174.283 176.600 -0.626 0.000 0.934 211 K CA -0.278 55.719 56.287 -0.483 0.000 0.802 211 K CB 1.397 33.760 32.500 -0.229 0.000 1.295 211 K HN 1.645 nan 8.250 nan 0.000 0.433 212 A N 0.728 123.318 122.820 -0.382 0.000 2.612 212 A HA 0.902 5.222 4.320 -0.000 0.000 0.293 212 A C -0.091 177.385 177.584 -0.181 0.000 1.075 212 A CA 0.097 51.970 52.037 -0.274 0.000 0.680 212 A CB 1.017 19.884 19.000 -0.222 0.000 1.279 212 A HN 1.707 nan 8.150 nan 0.000 0.411 213 T N -1.720 112.730 114.554 -0.174 0.000 2.927 213 T HA 0.814 5.164 4.350 -0.000 0.000 0.286 213 T C -0.645 173.921 174.700 -0.224 0.000 1.040 213 T CA -0.768 61.221 62.100 -0.185 0.000 1.010 213 T CB 1.463 70.228 68.868 -0.172 0.000 1.177 213 T HN 1.161 nan 8.240 nan 0.000 0.546 214 V N 1.372 121.098 119.914 -0.313 0.000 2.638 214 V HA 0.629 4.749 4.120 -0.000 0.000 0.306 214 V C -0.665 175.213 176.094 -0.361 0.000 1.052 214 V CA -0.746 61.296 62.300 -0.429 0.000 0.885 214 V CB 1.634 32.929 31.823 -0.881 0.000 0.999 214 V HN 1.069 nan 8.190 nan 0.000 0.424 215 E N 4.640 124.684 120.200 -0.260 0.000 2.255 215 E HA 0.315 4.665 4.350 -0.000 0.000 0.256 215 E C -0.329 176.192 176.600 -0.133 0.000 0.887 215 E CA -0.529 55.774 56.400 -0.162 0.000 0.782 215 E CB 0.984 30.625 29.700 -0.098 0.000 1.214 215 E HN 0.823 nan 8.360 nan 0.000 0.417 216 N N 3.488 122.128 118.700 -0.101 0.000 2.688 216 N HA -0.242 4.498 4.740 -0.000 0.000 0.258 216 N C 0.533 175.987 175.510 -0.093 0.000 1.016 216 N CA 0.450 53.471 53.050 -0.048 0.000 0.747 216 N CB -1.021 37.465 38.487 -0.000 0.000 0.895 216 N HN 0.925 nan 8.380 nan 0.000 0.543 217 G N -0.573 108.113 108.800 -0.191 0.000 2.225 217 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.267 217 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.267 217 G C -0.372 174.458 174.900 -0.116 0.000 1.024 217 G CA 0.196 45.216 45.100 -0.133 0.000 0.784 217 G HN 0.574 nan 8.290 nan 0.000 0.507 218 N N -0.613 117.992 118.700 -0.160 0.000 2.314 218 N HA 0.527 5.267 4.740 -0.000 0.000 0.294 218 N C -0.531 174.890 175.510 -0.147 0.000 1.029 218 N CA -0.708 52.270 53.050 -0.119 0.000 0.845 218 N CB 1.541 39.975 38.487 -0.088 0.000 1.321 218 N HN 0.085 nan 8.380 nan 0.000 0.481 219 L N 2.772 123.929 121.223 -0.110 0.000 2.315 219 L HA 0.231 4.571 4.340 -0.000 0.000 0.283 219 L C -0.103 176.710 176.870 -0.095 0.000 1.089 219 L CA 0.184 54.961 54.840 -0.104 0.000 0.833 219 L CB 0.299 42.323 42.059 -0.058 0.000 1.170 219 L HN 0.313 nan 8.230 nan 0.000 0.442 220 Q N 4.155 123.884 119.800 -0.117 0.000 2.563 220 Q HA 0.157 4.497 4.340 -0.000 0.000 0.232 220 Q C -0.357 175.563 176.000 -0.133 0.000 1.106 220 Q CA -0.201 55.536 55.803 -0.110 0.000 0.913 220 Q CB 0.674 29.345 28.738 -0.113 0.000 1.175 220 Q HN 0.558 nan 8.270 nan 0.000 0.540 221 E N 3.040 123.162 120.200 -0.129 0.000 2.383 221 E HA -0.069 4.281 4.350 -0.000 0.000 0.257 221 E C -0.146 176.341 176.600 -0.189 0.000 1.079 221 E CA 0.258 56.536 56.400 -0.203 0.000 0.934 221 E CB 0.116 29.718 29.700 -0.162 0.000 0.978 221 E HN 0.373 nan 8.360 nan 0.000 0.462 222 N N 2.310 120.873 118.700 -0.228 0.000 2.937 222 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 222 N C -1.458 173.983 175.510 -0.114 0.000 1.069 222 N CA 0.814 53.767 53.050 -0.162 0.000 0.822 222 N CB -1.069 37.340 38.487 -0.129 0.000 1.122 222 N HN 0.218 nan 8.380 nan 0.000 0.554 223 V N 0.604 120.446 119.914 -0.119 0.000 2.370 223 V HA 0.600 4.720 4.120 -0.000 0.000 0.283 223 V C 1.429 177.463 176.094 -0.099 0.000 1.023 223 V CA 0.164 62.408 62.300 -0.092 0.000 0.857 223 V CB 1.593 33.364 31.823 -0.086 0.000 0.985 223 V HN 0.273 nan 8.190 nan 0.000 0.443 224 A N 3.764 126.538 122.820 -0.077 0.000 2.072 224 A HA 0.177 4.497 4.320 -0.000 0.000 0.216 224 A C 0.805 178.327 177.584 -0.104 0.000 1.156 224 A CA 0.702 52.691 52.037 -0.080 0.000 0.701 224 A CB 0.050 19.020 19.000 -0.049 0.000 0.816 224 A HN 0.788 nan 8.150 nan 0.000 0.458 225 E N -0.409 119.737 120.200 -0.090 0.000 2.343 225 E HA 0.496 4.846 4.350 -0.000 0.000 0.270 225 E C -1.359 175.188 176.600 -0.088 0.000 0.895 225 E CA -0.694 55.646 56.400 -0.101 0.000 0.767 225 E CB 1.412 31.113 29.700 0.002 0.000 1.248 225 E HN 0.195 nan 8.360 nan 0.000 0.440 226 Q N 1.184 120.916 119.800 -0.113 0.000 2.281 226 Q HA 0.312 4.652 4.340 -0.000 0.000 0.263 226 Q C -1.402 174.620 176.000 0.037 0.000 0.989 226 Q CA -0.439 55.334 55.803 -0.050 0.000 0.852 226 Q CB 2.396 31.074 28.738 -0.099 0.000 1.337 226 Q HN 0.414 nan 8.270 nan 0.000 0.418 227 T N 2.050 116.672 114.554 0.114 0.000 2.893 227 T HA 0.602 4.952 4.350 -0.000 0.000 0.324 227 T C -0.400 174.360 174.700 0.101 0.000 1.082 227 T CA -0.105 62.097 62.100 0.170 0.000 0.983 227 T CB 0.945 69.931 68.868 0.197 0.000 1.005 227 T HN 0.528 nan 8.240 nan 0.000 0.475 228 T N 1.263 115.870 114.554 0.088 0.000 2.739 228 T HA 0.247 4.597 4.350 -0.000 0.000 0.303 228 T C 0.619 175.380 174.700 0.102 0.000 1.389 228 T CA -0.452 61.694 62.100 0.077 0.000 1.001 228 T CB 1.732 70.626 68.868 0.043 0.000 1.436 228 T HN 0.458 nan 8.240 nan 0.000 0.500 229 D N 0.106 120.568 120.400 0.104 0.000 2.104 229 D HA -0.109 4.531 4.640 -0.000 0.000 0.194 229 D C 0.654 177.052 176.300 0.164 0.000 0.994 229 D CA 1.668 55.741 54.000 0.121 0.000 0.830 229 D CB 0.012 40.876 40.800 0.106 0.000 0.959 229 D HN 0.546 nan 8.370 nan 0.000 0.452 230 H N -0.762 118.346 119.070 0.064 0.000 2.675 230 H HA 0.580 5.136 4.556 -0.000 0.000 0.258 230 H C -1.159 174.184 175.328 0.026 0.000 1.271 230 H CA -0.893 55.207 56.048 0.088 0.000 1.462 230 H CB 0.614 30.433 29.762 0.094 0.000 1.467 230 H HN 0.160 nan 8.280 nan 0.000 0.501 231 A N 3.170 126.139 122.820 0.248 0.000 2.340 231 A HA 0.702 5.022 4.320 -0.000 0.000 0.268 231 A C 0.344 177.978 177.584 0.084 0.000 1.100 231 A CA 0.281 52.356 52.037 0.064 0.000 0.803 231 A CB 0.801 19.797 19.000 -0.007 0.000 1.043 231 A HN 0.756 nan 8.150 nan 0.000 0.488 232 G N -1.234 107.482 108.800 -0.141 0.000 2.623 232 G HA2 0.782 4.742 3.960 -0.000 0.000 0.290 232 G HA3 0.782 4.742 3.960 -0.000 0.000 0.290 232 G C -1.007 173.810 174.900 -0.137 0.000 1.437 232 G CA 0.140 45.177 45.100 -0.106 0.000 0.798 232 G HN 1.785 nan 8.290 nan 0.000 0.488 233 A N -0.478 122.353 122.820 0.019 0.000 2.556 233 A HA 0.876 5.196 4.320 -0.000 0.000 0.294 233 A C -1.335 176.270 177.584 0.034 0.000 1.091 233 A CA -0.621 51.397 52.037 -0.033 0.000 0.704 233 A CB 1.420 20.392 19.000 -0.047 0.000 1.300 233 A HN 0.875 nan 8.150 nan 0.000 0.406 234 I N 2.050 122.609 120.570 -0.019 0.000 2.531 234 I HA 0.318 4.488 4.170 -0.000 0.000 0.283 234 I C -1.141 174.973 176.117 -0.004 0.000 1.083 234 I CA -0.401 60.905 61.300 0.009 0.000 1.071 234 I CB 1.558 39.582 38.000 0.040 0.000 1.210 234 I HN 0.664 nan 8.210 nan 0.000 0.450 235 I N 3.060 123.493 120.570 -0.228 0.000 2.607 235 I HA 1.061 5.231 4.170 -0.000 0.000 0.305 235 I C 0.237 176.062 176.117 -0.487 0.000 0.995 235 I CA -0.296 60.737 61.300 -0.444 0.000 1.148 235 I CB 1.861 39.111 38.000 -1.251 0.000 1.323 235 I HN 0.490 nan 8.210 nan 0.000 0.461 236 G N 2.740 111.204 108.800 -0.560 0.000 2.649 236 G HA2 0.813 4.773 3.960 -0.000 0.000 0.290 236 G HA3 0.813 4.773 3.960 -0.000 0.000 0.290 236 G C -1.480 172.824 174.900 -0.994 0.000 1.426 236 G CA -0.858 43.599 45.100 -1.072 0.000 0.794 236 G HN 0.811 nan 8.290 nan 0.000 0.483 237 F N -2.299 117.450 119.950 -0.334 0.000 2.831 237 F HA 0.833 5.360 4.527 -0.000 0.000 0.318 237 F C 0.122 175.718 175.800 -0.340 0.000 1.174 237 F CA -1.316 56.539 58.000 -0.240 0.000 0.918 237 F CB 0.881 39.778 39.000 -0.171 0.000 1.364 237 F HN 0.774 nan 8.300 nan 0.000 0.475 238 K N 0.079 120.494 120.400 0.026 0.000 2.130 238 K HA 0.792 5.112 4.320 -0.000 0.000 0.268 238 K C -0.580 175.963 176.600 -0.094 0.000 0.983 238 K CA -0.189 56.042 56.287 -0.094 0.000 0.893 238 K CB 0.865 33.308 32.500 -0.095 0.000 1.066 238 K HN 0.915 nan 8.250 nan 0.000 0.450 239 T N -1.131 113.356 114.554 -0.111 0.000 2.900 239 T HA 0.676 5.026 4.350 -0.000 0.000 0.295 239 T C -0.044 174.641 174.700 -0.025 0.000 1.044 239 T CA -0.984 61.064 62.100 -0.088 0.000 0.995 239 T CB 1.058 69.863 68.868 -0.105 0.000 1.072 239 T HN 0.797 nan 8.240 nan 0.000 0.473 240 R N 1.084 121.582 120.500 -0.004 0.000 2.549 240 R HA 0.519 4.859 4.340 -0.000 0.000 0.267 240 R C -0.132 176.201 176.300 0.055 0.000 1.045 240 R CA -1.145 54.965 56.100 0.018 0.000 1.115 240 R CB 0.918 31.222 30.300 0.007 0.000 1.121 240 R HN 0.687 nan 8.270 nan 0.000 0.543 241 K N 0.375 120.808 120.400 0.056 0.000 2.504 241 K HA -0.075 4.245 4.320 -0.000 0.000 0.278 241 K C 0.566 177.213 176.600 0.079 0.000 1.025 241 K CA 1.651 57.982 56.287 0.075 0.000 1.093 241 K CB -0.162 32.372 32.500 0.058 0.000 0.873 241 K HN 0.905 nan 8.250 nan 0.000 0.483 242 G N 2.884 111.748 108.800 0.108 0.000 2.184 242 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.264 242 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.264 242 G C -0.015 174.946 174.900 0.102 0.000 0.975 242 G CA 0.490 45.649 45.100 0.098 0.000 0.642 242 G HN 0.750 nan 8.290 nan 0.000 0.536 243 E N 0.813 121.084 120.200 0.118 0.000 2.417 243 E HA 0.293 4.643 4.350 -0.000 0.000 0.261 243 E C 0.522 177.219 176.600 0.162 0.000 1.000 243 E CA 0.059 56.521 56.400 0.104 0.000 0.919 243 E CB 0.178 29.916 29.700 0.063 0.000 0.955 243 E HN 0.556 nan 8.360 nan 0.000 0.455 244 Q N 2.325 122.192 119.800 0.112 0.000 2.241 244 Q HA 0.410 4.750 4.340 -0.000 0.000 0.254 244 Q C -1.059 175.029 176.000 0.146 0.000 0.917 244 Q CA -0.736 55.148 55.803 0.134 0.000 0.919 244 Q CB 2.215 30.997 28.738 0.073 0.000 1.237 244 Q HN 0.314 nan 8.270 nan 0.000 0.434 245 V N 3.297 123.366 119.914 0.260 0.000 2.487 245 V HA 0.339 4.459 4.120 -0.000 0.000 0.298 245 V C -0.478 175.797 176.094 0.301 0.000 1.028 245 V CA -0.887 61.585 62.300 0.287 0.000 0.860 245 V CB 1.800 33.876 31.823 0.422 0.000 0.991 245 V HN 0.766 nan 8.190 nan 0.000 0.427 246 N N 2.850 121.670 118.700 0.200 0.000 2.417 246 N HA 0.776 5.516 4.740 -0.000 0.000 0.300 246 N C -0.583 174.967 175.510 0.068 0.000 1.102 246 N CA -0.342 52.754 53.050 0.075 0.000 0.886 246 N CB 2.532 41.030 38.487 0.018 0.000 1.203 246 N HN 0.775 nan 8.380 nan 0.000 0.496 247 A N 2.089 124.868 122.820 -0.068 0.000 2.353 247 A HA 0.480 4.800 4.320 -0.000 0.000 0.299 247 A C -0.408 177.102 177.584 -0.123 0.000 1.089 247 A CA -0.726 51.172 52.037 -0.232 0.000 0.736 247 A CB 0.881 19.658 19.000 -0.371 0.000 1.195 247 A HN 0.590 nan 8.150 nan 0.000 0.447 248 R N 1.777 122.218 120.500 -0.100 0.000 2.221 248 R HA 0.647 4.987 4.340 -0.000 0.000 0.327 248 R C -0.886 175.420 176.300 0.009 0.000 1.033 248 R CA 0.130 56.212 56.100 -0.030 0.000 0.887 248 R CB 0.954 31.253 30.300 -0.001 0.000 1.057 248 R HN 0.667 nan 8.270 nan 0.000 0.455 249 I N 1.620 122.221 120.570 0.051 0.000 2.647 249 I HA 0.680 4.850 4.170 -0.000 0.000 0.295 249 I C -0.504 175.747 176.117 0.224 0.000 1.078 249 I CA -0.883 60.514 61.300 0.161 0.000 1.048 249 I CB 2.252 40.368 38.000 0.193 0.000 1.239 249 I HN 0.670 nan 8.210 nan 0.000 0.421 250 A N 3.590 126.594 122.820 0.306 0.000 2.609 250 A HA 0.920 5.240 4.320 -0.000 0.000 0.291 250 A C -0.890 176.906 177.584 0.354 0.000 1.096 250 A CA -0.428 51.794 52.037 0.308 0.000 0.684 250 A CB 2.127 21.248 19.000 0.201 0.000 1.282 250 A HN 0.764 nan 8.150 nan 0.000 0.412 251 S N -0.402 115.473 115.700 0.292 0.000 2.671 251 S HA 0.913 5.383 4.470 -0.000 0.000 0.277 251 S C -0.609 174.008 174.600 0.028 0.000 1.165 251 S CA 0.072 58.394 58.200 0.203 0.000 0.822 251 S CB 1.476 64.847 63.200 0.286 0.000 1.150 251 S HN 2.218 nan 8.310 nan 0.000 0.479 252 S N -0.795 114.838 115.700 -0.112 0.000 2.570 252 S HA 0.675 5.145 4.470 -0.000 0.000 0.270 252 S C -1.240 173.148 174.600 -0.354 0.000 1.149 252 S CA -0.703 57.399 58.200 -0.163 0.000 0.837 252 S CB 0.858 64.046 63.200 -0.020 0.000 1.124 252 S HN 0.651 nan 8.310 nan 0.000 0.465 253 F N 1.622 121.520 119.950 -0.086 0.000 2.695 253 F HA 0.451 4.978 4.527 -0.000 0.000 0.303 253 F C 1.377 177.103 175.800 -0.125 0.000 1.091 253 F CA -0.007 57.846 58.000 -0.246 0.000 1.300 253 F CB 0.219 39.038 39.000 -0.302 0.000 1.071 253 F HN 0.413 nan 8.300 nan 0.000 0.578 254 I N -1.344 119.316 120.570 0.149 0.000 2.681 254 I HA 0.044 4.214 4.170 -0.000 0.000 0.247 254 I C 0.707 176.742 176.117 -0.135 0.000 1.091 254 I CA 0.462 61.819 61.300 0.096 0.000 1.442 254 I CB 0.122 38.170 38.000 0.080 0.000 1.219 254 I HN 0.016 nan 8.210 nan 0.000 0.451 255 S N -1.718 113.747 115.700 -0.391 0.000 2.611 255 S HA 0.332 4.802 4.470 -0.000 0.000 0.268 255 S C 0.037 174.168 174.600 -0.781 0.000 1.156 255 S CA -0.683 56.956 58.200 -0.935 0.000 0.817 255 S CB 0.827 63.766 63.200 -0.435 0.000 1.122 255 S HN 0.022 nan 8.310 nan 0.000 0.466 256 F N 1.439 120.971 119.950 -0.696 0.000 2.171 256 F HA 0.046 4.573 4.527 -0.000 0.000 0.300 256 F C 2.380 178.086 175.800 -0.157 0.000 1.090 256 F CA 1.751 59.583 58.000 -0.281 0.000 1.293 256 F CB -0.765 38.123 39.000 -0.187 0.000 1.013 256 F HN 0.651 nan 8.300 nan 0.000 0.486 257 E N -0.457 119.754 120.200 0.019 0.000 2.110 257 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 257 E C 2.051 178.657 176.600 0.010 0.000 0.988 257 E CA 1.197 57.607 56.400 0.016 0.000 0.804 257 E CB -0.375 29.319 29.700 -0.009 0.000 0.745 257 E HN 0.334 nan 8.360 nan 0.000 0.458 258 Q N 0.008 119.791 119.800 -0.028 0.000 2.311 258 Q HA 0.091 4.430 4.340 -0.000 0.000 0.203 258 Q C 1.806 177.823 176.000 0.028 0.000 0.954 258 Q CA 1.209 57.011 55.803 -0.001 0.000 0.885 258 Q CB -0.144 28.587 28.738 -0.013 0.000 0.963 258 Q HN 0.242 nan 8.270 nan 0.000 0.471 259 A N 0.360 123.199 122.820 0.033 0.000 1.898 259 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 259 A C 2.294 179.940 177.584 0.103 0.000 1.181 259 A CA 1.554 53.643 52.037 0.086 0.000 0.620 259 A CB -1.149 17.929 19.000 0.131 0.000 0.819 259 A HN 0.508 nan 8.150 nan 0.000 0.442 260 A N -0.074 122.805 122.820 0.098 0.000 1.940 260 A HA 0.122 4.442 4.320 -0.000 0.000 0.219 260 A C 2.471 180.097 177.584 0.070 0.000 1.176 260 A CA 2.153 54.242 52.037 0.087 0.000 0.631 260 A CB -0.947 18.096 19.000 0.071 0.000 0.814 260 A HN 1.056 nan 8.150 nan 0.000 0.446 261 A N 0.104 122.960 122.820 0.060 0.000 1.930 261 A HA -0.160 4.159 4.320 -0.000 0.000 0.217 261 A C 1.866 179.490 177.584 0.067 0.000 1.175 261 A CA 1.631 53.702 52.037 0.056 0.000 0.627 261 A CB -0.570 18.459 19.000 0.048 0.000 0.815 261 A HN 0.534 nan 8.150 nan 0.000 0.443 262 N N -0.710 118.035 118.700 0.076 0.000 2.223 262 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 262 N C 1.502 177.069 175.510 0.094 0.000 1.016 262 N CA 1.633 54.736 53.050 0.088 0.000 0.863 262 N CB -0.456 38.089 38.487 0.096 0.000 0.983 262 N HN 0.507 nan 8.380 nan 0.000 0.429 263 M N 1.246 120.903 119.600 0.095 0.000 2.260 263 M HA -0.109 4.371 4.480 -0.000 0.000 0.261 263 M C 0.980 177.321 176.300 0.068 0.000 1.066 263 M CA 1.445 56.798 55.300 0.088 0.000 1.082 263 M CB -0.464 32.187 32.600 0.085 0.000 1.388 263 M HN 0.145 nan 8.290 nan 0.000 0.419 264 N N -0.431 118.307 118.700 0.063 0.000 2.520 264 N HA -0.137 4.603 4.740 -0.000 0.000 0.185 264 N C 1.107 176.649 175.510 0.053 0.000 1.068 264 N CA 0.822 53.904 53.050 0.053 0.000 0.911 264 N CB -0.105 38.412 38.487 0.051 0.000 0.961 264 N HN 0.554 nan 8.380 nan 0.000 0.446 265 E N 0.588 120.825 120.200 0.063 0.000 2.265 265 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 265 E C 1.394 178.024 176.600 0.051 0.000 0.996 265 E CA 0.661 57.099 56.400 0.063 0.000 0.832 265 E CB 0.024 29.771 29.700 0.078 0.000 0.756 265 E HN 0.472 nan 8.360 nan 0.000 0.491 266 L N -0.324 120.925 121.223 0.044 0.000 2.418 266 L HA 0.075 4.415 4.340 -0.000 0.000 0.218 266 L C 1.633 178.517 176.870 0.023 0.000 1.125 266 L CA 0.218 55.075 54.840 0.028 0.000 0.835 266 L CB -0.785 41.285 42.059 0.019 0.000 0.953 266 L HN 0.211 nan 8.230 nan 0.000 0.454 267 G N 1.049 109.867 108.800 0.029 0.000 2.672 267 G HA2 -0.485 3.475 3.960 -0.000 0.000 0.324 267 G HA3 -0.485 3.475 3.960 -0.000 0.000 0.324 267 G C 0.548 175.459 174.900 0.019 0.000 1.286 267 G CA 0.815 45.930 45.100 0.025 0.000 1.004 267 G HN 0.379 nan 8.290 nan 0.000 0.548 268 K N 0.042 120.450 120.400 0.013 0.000 2.972 268 K HA 0.505 4.825 4.320 -0.000 0.000 0.209 268 K C 0.052 176.654 176.600 0.004 0.000 1.128 268 K CA 0.781 57.074 56.287 0.009 0.000 1.024 268 K CB 0.080 32.586 32.500 0.010 0.000 0.754 268 K HN 0.626 nan 8.250 nan 0.000 0.454 269 D N 1.771 122.172 120.400 0.002 0.000 2.304 269 D HA 0.098 4.738 4.640 -0.000 0.000 0.247 269 D C 0.357 176.651 176.300 -0.010 0.000 1.089 269 D CA -0.181 53.817 54.000 -0.004 0.000 0.910 269 D CB 1.259 42.057 40.800 -0.002 0.000 1.199 269 D HN 0.621 nan 8.370 nan 0.000 0.426 270 N N 0.913 119.606 118.700 -0.013 0.000 2.405 270 N HA 0.040 4.780 4.740 -0.000 0.000 0.269 270 N C 1.121 176.620 175.510 -0.018 0.000 1.249 270 N CA -0.525 52.515 53.050 -0.017 0.000 0.974 270 N CB 0.808 39.285 38.487 -0.015 0.000 1.204 270 N HN 0.172 nan 8.380 nan 0.000 0.565 271 I N 0.149 120.708 120.570 -0.019 0.000 2.118 271 I HA -0.257 3.913 4.170 -0.000 0.000 0.241 271 I C 1.799 177.921 176.117 0.008 0.000 1.070 271 I CA 1.762 63.062 61.300 0.001 0.000 1.327 271 I CB -1.081 36.932 38.000 0.022 0.000 1.034 271 I HN 0.578 nan 8.210 nan 0.000 0.405 272 E N 0.543 120.728 120.200 -0.024 0.000 2.118 272 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 272 E C 2.235 178.803 176.600 -0.053 0.000 0.992 272 E CA 1.167 57.529 56.400 -0.062 0.000 0.804 272 E CB -0.226 29.433 29.700 -0.070 0.000 0.741 272 E HN 0.552 nan 8.360 nan 0.000 0.458 273 Q N -0.303 119.477 119.800 -0.034 0.000 2.123 273 Q HA -0.006 4.334 4.340 -0.000 0.000 0.199 273 Q C 2.235 178.224 176.000 -0.018 0.000 0.966 273 Q CA 0.719 56.504 55.803 -0.031 0.000 0.845 273 Q CB -0.028 28.697 28.738 -0.022 0.000 0.907 273 Q HN 0.273 nan 8.270 nan 0.000 0.439 274 L N 0.192 121.415 121.223 -0.001 0.000 2.093 274 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 274 L C 2.424 179.328 176.870 0.056 0.000 1.085 274 L CA 0.825 55.678 54.840 0.022 0.000 0.755 274 L CB -0.478 41.591 42.059 0.017 0.000 0.904 274 L HN 0.250 nan 8.230 nan 0.000 0.435 275 A N -0.385 122.480 122.820 0.074 0.000 1.865 275 A HA -0.321 3.999 4.320 -0.000 0.000 0.217 275 A C 2.130 179.686 177.584 -0.048 0.000 1.191 275 A CA 2.030 54.163 52.037 0.159 0.000 0.623 275 A CB -0.645 18.420 19.000 0.107 0.000 0.826 275 A HN 0.420 nan 8.150 nan 0.000 0.444 276 Q N 0.110 119.842 119.800 -0.112 0.000 2.135 276 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 276 Q C 1.878 177.792 176.000 -0.143 0.000 0.981 276 Q CA 2.278 57.972 55.803 -0.182 0.000 0.856 276 Q CB -0.307 28.356 28.738 -0.125 0.000 0.902 276 Q HN 0.704 nan 8.270 nan 0.000 0.425 277 K N -1.227 119.137 120.400 -0.061 0.000 2.097 277 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 277 K C 1.996 178.597 176.600 0.002 0.000 1.050 277 K CA 0.985 57.257 56.287 -0.024 0.000 0.938 277 K CB -0.313 32.190 32.500 0.005 0.000 0.718 277 K HN 0.379 nan 8.250 nan 0.000 0.442 278 G N 1.884 110.713 108.800 0.048 0.000 2.402 278 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 278 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 278 G C 1.436 176.435 174.900 0.165 0.000 1.162 278 G CA 0.587 45.800 45.100 0.188 0.000 0.777 278 G HN 0.210 nan 8.290 nan 0.000 0.539 279 K N 0.322 120.575 120.400 -0.245 0.000 2.057 279 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 279 K C 1.971 178.520 176.600 -0.085 0.000 1.049 279 K CA 1.628 57.648 56.287 -0.445 0.000 0.931 279 K CB -0.126 31.776 32.500 -0.998 0.000 0.714 279 K HN 0.123 nan 8.250 nan 0.000 0.440 280 D N 0.436 120.789 120.400 -0.079 0.000 2.084 280 D HA -0.157 4.483 4.640 -0.000 0.000 0.194 280 D C 1.820 178.143 176.300 0.038 0.000 0.990 280 D CA 1.558 55.550 54.000 -0.013 0.000 0.826 280 D CB -0.350 40.436 40.800 -0.024 0.000 0.971 280 D HN 0.362 nan 8.370 nan 0.000 0.453 281 A N -0.016 122.818 122.820 0.025 0.000 1.902 281 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 281 A C 2.205 179.756 177.584 -0.054 0.000 1.181 281 A CA 1.144 53.166 52.037 -0.027 0.000 0.623 281 A CB -1.161 17.791 19.000 -0.081 0.000 0.818 281 A HN 0.297 nan 8.150 nan 0.000 0.443 282 W N 0.107 121.443 121.300 0.061 0.000 2.381 282 W HA -0.097 4.563 4.660 -0.000 0.000 0.301 282 W C 2.218 178.800 176.519 0.106 0.000 1.205 282 W CA 1.417 58.812 57.345 0.083 0.000 1.285 282 W CB -0.346 29.189 29.460 0.124 0.000 1.133 282 W HN 0.434 nan 8.180 nan 0.000 0.521 283 N N -0.197 118.699 118.700 0.327 0.000 2.223 283 N HA -0.264 4.476 4.740 -0.000 0.000 0.185 283 N C 1.632 177.286 175.510 0.240 0.000 1.016 283 N CA 1.354 54.592 53.050 0.313 0.000 0.863 283 N CB -0.285 38.355 38.487 0.256 0.000 0.983 283 N HN 0.103 nan 8.380 nan 0.000 0.429 284 Q N 1.114 121.010 119.800 0.160 0.000 2.096 284 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 284 Q C 1.937 178.024 176.000 0.146 0.000 0.982 284 Q CA 1.764 57.640 55.803 0.122 0.000 0.850 284 Q CB -0.109 28.680 28.738 0.085 0.000 0.901 284 Q HN 0.399 nan 8.270 nan 0.000 0.422 285 V N -2.270 117.740 119.914 0.159 0.000 2.446 285 V HA -0.039 4.081 4.120 -0.000 0.000 0.244 285 V C 2.205 178.469 176.094 0.283 0.000 1.039 285 V CA 1.258 63.709 62.300 0.253 0.000 1.045 285 V CB -0.772 31.090 31.823 0.064 0.000 0.681 285 V HN 0.344 nan 8.190 nan 0.000 0.459 286 L N 1.600 122.982 121.223 0.266 0.000 2.046 286 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 286 L C 2.789 179.623 176.870 -0.061 0.000 1.077 286 L CA 1.803 56.791 54.840 0.246 0.000 0.747 286 L CB -1.226 41.031 42.059 0.329 0.000 0.896 286 L HN 0.521 nan 8.230 nan 0.000 0.432 287 G N -0.494 108.170 108.800 -0.227 0.000 2.586 287 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.215 287 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.215 287 G C 1.500 176.209 174.900 -0.317 0.000 1.128 287 G CA 0.160 44.822 45.100 -0.730 0.000 0.774 287 G HN 0.147 nan 8.290 nan 0.000 0.543 288 K N -0.004 120.352 120.400 -0.074 0.000 2.442 288 K HA 0.113 4.433 4.320 -0.000 0.000 0.198 288 K C 0.518 177.046 176.600 -0.121 0.000 1.042 288 K CA 0.362 56.640 56.287 -0.015 0.000 0.958 288 K CB 0.129 32.598 32.500 -0.052 0.000 0.766 288 K HN 0.388 nan 8.250 nan 0.000 0.474 289 I N 1.505 121.985 120.570 -0.150 0.000 2.503 289 I HA 0.161 4.331 4.170 -0.000 0.000 0.282 289 I C -0.788 175.199 176.117 -0.216 0.000 1.059 289 I CA -0.476 60.721 61.300 -0.172 0.000 1.081 289 I CB 1.851 39.849 38.000 -0.003 0.000 1.210 289 I HN -0.154 nan 8.210 nan 0.000 0.450 290 E N 5.923 125.977 120.200 -0.244 0.000 2.156 290 E HA 0.520 4.870 4.350 -0.000 0.000 0.279 290 E C -0.712 175.774 176.600 -0.190 0.000 0.965 290 E CA -0.769 55.559 56.400 -0.120 0.000 0.789 290 E CB 2.627 32.377 29.700 0.083 0.000 1.098 290 E HN 0.427 nan 8.360 nan 0.000 0.397 291 V N 0.033 119.798 119.914 -0.247 0.000 2.667 291 V HA 0.648 4.768 4.120 -0.000 0.000 0.308 291 V C -0.316 175.590 176.094 -0.313 0.000 1.048 291 V CA -0.733 61.209 62.300 -0.597 0.000 0.928 291 V CB 1.669 32.540 31.823 -1.586 0.000 1.004 291 V HN 0.689 nan 8.190 nan 0.000 0.444 292 E N 1.167 121.254 120.200 -0.190 0.000 2.449 292 E HA 0.679 5.029 4.350 -0.000 0.000 0.278 292 E C 0.219 176.957 176.600 0.231 0.000 0.992 292 E CA -0.713 55.731 56.400 0.073 0.000 0.807 292 E CB 1.856 31.585 29.700 0.049 0.000 1.350 292 E HN 1.558 nan 8.360 nan 0.000 0.462 293 G N 0.004 108.973 108.800 0.281 0.000 2.225 293 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.264 293 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.264 293 G C 0.130 175.169 174.900 0.232 0.000 1.060 293 G CA 0.100 45.330 45.100 0.217 0.000 0.833 293 G HN 0.724 nan 8.290 nan 0.000 0.498 294 G N -0.578 108.378 108.800 0.260 0.000 3.042 294 G HA2 0.783 4.743 3.960 -0.000 0.000 0.278 294 G HA3 0.783 4.743 3.960 -0.000 0.000 0.278 294 G C -0.221 174.454 174.900 -0.375 0.000 1.371 294 G CA -0.042 45.029 45.100 -0.049 0.000 1.009 294 G HN 0.984 nan 8.290 nan 0.000 0.523 295 N N -1.492 116.947 118.700 -0.435 0.000 2.502 295 N HA 0.346 5.086 4.740 -0.000 0.000 0.280 295 N C 0.996 176.226 175.510 -0.466 0.000 1.223 295 N CA -0.872 51.979 53.050 -0.331 0.000 0.966 295 N CB 1.254 39.647 38.487 -0.157 0.000 1.203 295 N HN 0.307 nan 8.380 nan 0.000 0.565 296 L N -0.029 121.111 121.223 -0.139 0.000 2.079 296 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 296 L C 0.977 177.870 176.870 0.039 0.000 1.081 296 L CA 1.889 56.758 54.840 0.049 0.000 0.752 296 L CB -1.111 41.046 42.059 0.164 0.000 0.896 296 L HN 0.600 nan 8.230 nan 0.000 0.433 297 D N -0.683 119.714 120.400 -0.005 0.000 2.133 297 D HA -0.234 4.406 4.640 -0.000 0.000 0.195 297 D C 2.189 178.511 176.300 0.035 0.000 0.997 297 D CA 1.556 55.567 54.000 0.018 0.000 0.840 297 D CB -0.096 40.700 40.800 -0.007 0.000 0.947 297 D HN 0.552 nan 8.370 nan 0.000 0.452 298 Q N -0.811 118.970 119.800 -0.032 0.000 2.083 298 Q HA -0.143 4.197 4.340 -0.000 0.000 0.198 298 Q C 2.142 178.328 176.000 0.311 0.000 0.969 298 Q CA 0.833 56.682 55.803 0.078 0.000 0.838 298 Q CB -0.207 28.450 28.738 -0.136 0.000 0.900 298 Q HN 0.375 nan 8.270 nan 0.000 0.436 299 Y N 1.086 121.512 120.300 0.210 0.000 2.097 299 Y HA -0.206 4.344 4.550 -0.000 0.000 0.282 299 Y C 2.339 178.360 175.900 0.202 0.000 1.152 299 Y CA 1.133 59.258 58.100 0.042 0.000 1.136 299 Y CB -0.579 37.539 38.460 -0.569 0.000 0.975 299 Y HN 0.030 nan 8.280 nan 0.000 0.498 300 R N -0.752 119.952 120.500 0.341 0.000 2.083 300 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 300 R C 2.214 178.645 176.300 0.219 0.000 1.137 300 R CA 2.026 58.321 56.100 0.325 0.000 0.951 300 R CB -0.824 29.619 30.300 0.239 0.000 0.851 300 R HN 0.275 nan 8.270 nan 0.000 0.434 301 T N 0.792 115.420 114.554 0.124 0.000 2.746 301 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 301 T C 1.399 176.059 174.700 -0.067 0.000 1.039 301 T CA 1.285 63.326 62.100 -0.098 0.000 1.142 301 T CB -0.311 68.385 68.868 -0.288 0.000 0.866 301 T HN 0.170 nan 8.240 nan 0.000 0.444 302 F N 0.740 120.753 119.950 0.104 0.000 2.102 302 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 302 F C 1.885 177.666 175.800 -0.031 0.000 1.105 302 F CA 1.201 59.297 58.000 0.160 0.000 1.239 302 F CB -0.302 38.765 39.000 0.112 0.000 0.991 302 F HN 0.136 nan 8.300 nan 0.000 0.474 303 Y N -0.317 120.190 120.300 0.346 0.000 2.475 303 Y HA -0.047 4.503 4.550 -0.000 0.000 0.289 303 Y C 2.643 178.636 175.900 0.156 0.000 1.121 303 Y CA 1.058 59.308 58.100 0.251 0.000 1.257 303 Y CB -0.878 37.830 38.460 0.414 0.000 1.026 303 Y HN -0.011 nan 8.280 nan 0.000 0.555 304 S N -0.994 114.858 115.700 0.254 0.000 2.355 304 S HA -0.201 4.269 4.470 -0.000 0.000 0.222 304 S C 2.204 176.941 174.600 0.227 0.000 1.031 304 S CA 1.416 59.744 58.200 0.214 0.000 0.993 304 S CB -0.806 62.473 63.200 0.132 0.000 0.859 304 S HN 0.526 nan 8.310 nan 0.000 0.453 305 C N 1.087 120.439 119.300 0.087 0.000 2.425 305 C HA 0.026 4.486 4.460 -0.000 0.000 0.277 305 C C 2.519 177.523 174.990 0.023 0.000 1.280 305 C CA 0.409 59.483 59.018 0.094 0.000 1.744 305 C CB -1.313 26.444 27.740 0.028 0.000 1.989 305 C HN 0.508 nan 8.230 nan 0.000 0.491 306 L N 0.470 121.633 121.223 -0.101 0.000 2.046 306 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 306 L C 2.354 179.285 176.870 0.101 0.000 1.077 306 L CA 2.004 56.808 54.840 -0.060 0.000 0.747 306 L CB -1.278 40.722 42.059 -0.099 0.000 0.896 306 L HN 0.558 nan 8.230 nan 0.000 0.432 307 Y N 0.157 120.471 120.300 0.024 0.000 2.128 307 Y HA -0.232 4.318 4.550 -0.000 0.000 0.284 307 Y C 2.421 178.298 175.900 -0.039 0.000 1.154 307 Y CA 1.688 59.749 58.100 -0.065 0.000 1.149 307 Y CB -0.359 37.920 38.460 -0.302 0.000 0.976 307 Y HN 0.071 nan 8.280 nan 0.000 0.505 308 R N 0.270 120.591 120.500 -0.298 0.000 2.241 308 R HA -0.059 4.281 4.340 -0.000 0.000 0.224 308 R C 1.891 178.126 176.300 -0.109 0.000 1.101 308 R CA 1.126 57.033 56.100 -0.321 0.000 0.995 308 R CB -0.656 29.625 30.300 -0.032 0.000 0.870 308 R HN 0.366 nan 8.270 nan 0.000 0.463 309 S N 0.404 116.078 115.700 -0.044 0.000 2.593 309 S HA 0.196 4.665 4.470 -0.000 0.000 0.217 309 S C 1.192 175.775 174.600 -0.029 0.000 0.966 309 S CA 0.172 58.385 58.200 0.022 0.000 0.914 309 S CB 0.285 63.515 63.200 0.049 0.000 0.776 309 S HN 0.200 nan 8.310 nan 0.000 0.523 310 L N 0.796 121.897 121.223 -0.203 0.000 3.202 310 L HA 0.413 4.753 4.340 -0.000 0.000 0.278 310 L C 0.545 176.855 176.870 -0.932 0.000 1.268 310 L CA 0.183 54.630 54.840 -0.654 0.000 1.034 310 L CB 0.176 41.822 42.059 -0.690 0.000 1.407 310 L HN 0.245 nan 8.230 nan 0.000 0.581 311 L N -1.276 119.705 121.223 -0.403 0.000 2.586 311 L HA 0.326 4.666 4.340 -0.000 0.000 0.204 311 L C -0.106 176.682 176.870 -0.137 0.000 1.053 311 L CA 0.409 55.042 54.840 -0.344 0.000 0.856 311 L CB 0.540 42.304 42.059 -0.492 0.000 1.192 311 L HN 0.033 nan 8.230 nan 0.000 0.484 312 F N 0.396 120.515 119.950 0.282 0.000 2.561 312 F HA 0.502 5.029 4.527 -0.000 0.000 0.321 312 F C -2.179 173.782 175.800 0.267 0.000 1.065 312 F CA -2.714 55.488 58.000 0.337 0.000 0.934 312 F CB 0.621 39.765 39.000 0.240 0.000 1.215 312 F HN -0.259 nan 8.300 nan 0.000 0.471 313 P HA 0.181 nan 4.420 nan 0.000 0.272 313 P C -0.972 176.721 177.300 0.655 0.000 1.230 313 P CA -0.562 62.887 63.100 0.581 0.000 0.788 313 P CB 0.845 32.852 31.700 0.513 0.000 0.949 314 R N 0.738 121.576 120.500 0.565 0.000 2.560 314 R HA 0.379 4.719 4.340 -0.000 0.000 0.270 314 R C -0.067 176.541 176.300 0.513 0.000 1.074 314 R CA -0.813 55.563 56.100 0.460 0.000 1.140 314 R CB 0.536 30.938 30.300 0.169 0.000 1.073 314 R HN 0.276 nan 8.270 nan 0.000 0.527 315 K N 1.231 121.793 120.400 0.270 0.000 2.448 315 K HA -0.025 4.295 4.320 -0.000 0.000 0.278 315 K C -0.576 175.975 176.600 -0.082 0.000 1.009 315 K CA 0.365 56.443 56.287 -0.348 0.000 0.995 315 K CB 0.335 32.606 32.500 -0.382 0.000 0.917 315 K HN 0.528 nan 8.250 nan 0.000 0.481 316 F N 3.786 123.558 119.950 -0.296 0.000 2.814 316 F HA 0.162 4.689 4.527 -0.000 0.000 0.326 316 F C -0.973 174.886 175.800 0.098 0.000 1.159 316 F CA -0.696 57.286 58.000 -0.029 0.000 1.234 316 F CB 0.471 39.471 39.000 -0.000 0.000 1.016 316 F HN 0.474 nan 8.300 nan 0.000 0.510 317 Y N -0.784 119.533 120.300 0.028 0.000 2.549 317 Y HA 0.824 5.373 4.550 -0.000 0.000 0.339 317 Y C -0.669 175.285 175.900 0.090 0.000 1.053 317 Y CA -1.319 56.844 58.100 0.106 0.000 1.105 317 Y CB 0.865 39.408 38.460 0.138 0.000 1.258 317 Y HN 0.060 nan 8.280 nan 0.000 0.478 318 E N 2.429 122.778 120.200 0.249 0.000 2.359 318 E HA 0.547 4.897 4.350 -0.000 0.000 0.266 318 E C -1.468 175.261 176.600 0.216 0.000 0.920 318 E CA -1.158 55.332 56.400 0.150 0.000 0.788 318 E CB 2.707 32.470 29.700 0.105 0.000 1.279 318 E HN 0.533 nan 8.360 nan 0.000 0.438 319 L N 2.478 123.795 121.223 0.157 0.000 2.287 319 L HA 0.291 4.631 4.340 -0.000 0.000 0.287 319 L C -0.072 176.853 176.870 0.093 0.000 1.022 319 L CA -0.925 54.001 54.840 0.143 0.000 0.814 319 L CB 0.723 42.869 42.059 0.145 0.000 1.217 319 L HN 0.667 nan 8.230 nan 0.000 0.420 320 D N 2.496 122.940 120.400 0.073 0.000 2.414 320 D HA 0.135 4.775 4.640 -0.000 0.000 0.251 320 D C 1.122 177.447 176.300 0.042 0.000 1.252 320 D CA -0.276 53.753 54.000 0.048 0.000 0.999 320 D CB 1.014 41.833 40.800 0.031 0.000 1.093 320 D HN 0.489 nan 8.370 nan 0.000 0.515 321 A N 0.165 123.003 122.820 0.031 0.000 2.084 321 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 321 A C 1.349 178.951 177.584 0.029 0.000 1.161 321 A CA 1.327 53.381 52.037 0.028 0.000 0.653 321 A CB -0.667 18.345 19.000 0.020 0.000 0.802 321 A HN 0.577 nan 8.150 nan 0.000 0.457 322 N N -1.444 117.273 118.700 0.028 0.000 2.205 322 N HA 0.215 4.955 4.740 -0.000 0.000 0.201 322 N C 1.038 176.569 175.510 0.034 0.000 1.128 322 N CA 0.871 53.937 53.050 0.027 0.000 0.867 322 N CB 0.585 39.083 38.487 0.018 0.000 0.996 322 N HN 0.601 nan 8.380 nan 0.000 0.503 323 G N 0.736 109.563 108.800 0.045 0.000 2.148 323 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.254 323 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.254 323 G C -0.050 174.886 174.900 0.060 0.000 0.981 323 G CA -0.003 45.134 45.100 0.061 0.000 0.670 323 G HN 0.188 nan 8.290 nan 0.000 0.528 324 Q N 0.440 120.263 119.800 0.038 0.000 2.259 324 Q HA 0.472 4.812 4.340 -0.000 0.000 0.246 324 Q C -2.134 173.873 176.000 0.012 0.000 0.920 324 Q CA -2.226 53.580 55.803 0.005 0.000 0.895 324 Q CB 1.389 30.117 28.738 -0.017 0.000 1.220 324 Q HN 0.325 nan 8.270 nan 0.000 0.439 325 P HA 0.246 nan 4.420 nan 0.000 0.281 325 P C -0.669 176.614 177.300 -0.028 0.000 1.252 325 P CA -0.095 62.969 63.100 -0.060 0.000 0.778 325 P CB 0.445 31.818 31.700 -0.545 0.000 0.895 326 I N 0.638 121.272 120.570 0.107 0.000 3.095 326 I HA 0.679 4.849 4.170 -0.000 0.000 0.310 326 I C -0.831 175.410 176.117 0.206 0.000 1.196 326 I CA -1.008 60.331 61.300 0.065 0.000 0.985 326 I CB 2.726 40.735 38.000 0.015 0.000 1.250 326 I HN 0.412 nan 8.210 nan 0.000 0.446 327 H N 1.412 120.575 119.070 0.156 0.000 3.046 327 H HA 0.316 4.872 4.556 -0.000 0.000 0.363 327 H C -2.180 173.292 175.328 0.241 0.000 1.203 327 H CA -0.807 55.373 56.048 0.219 0.000 1.169 327 H CB 1.192 31.124 29.762 0.285 0.000 1.851 327 H HN 0.840 nan 8.280 nan 0.000 0.546 328 Y N 2.166 122.636 120.300 0.284 0.000 2.465 328 Y HA 0.191 4.741 4.550 -0.000 0.000 0.331 328 Y C 0.186 176.360 175.900 0.457 0.000 1.102 328 Y CA 0.115 58.381 58.100 0.276 0.000 1.358 328 Y CB 0.944 39.556 38.460 0.253 0.000 1.213 328 Y HN 0.652 nan 8.280 nan 0.000 0.525 329 S N 8.765 124.374 115.700 -0.151 0.000 2.422 329 S HA 0.219 4.689 4.470 -0.000 0.000 0.283 329 S C -1.559 172.762 174.600 -0.464 0.000 1.163 329 S CA -1.541 56.635 58.200 -0.041 0.000 1.054 329 S CB 0.491 63.725 63.200 0.055 0.000 0.967 329 S HN 0.686 nan 8.310 nan 0.000 0.499 330 P HA -0.025 nan 4.420 nan 0.000 0.239 330 P C 0.141 177.079 177.300 -0.602 0.000 1.184 330 P CA 0.754 63.553 63.100 -0.502 0.000 0.760 330 P CB -0.024 31.170 31.700 -0.843 0.000 0.884 331 Y N 1.567 121.734 120.300 -0.221 0.000 2.314 331 Y HA 0.026 4.576 4.550 -0.000 0.000 0.294 331 Y C 2.065 177.915 175.900 -0.082 0.000 1.139 331 Y CA 1.367 59.378 58.100 -0.147 0.000 1.162 331 Y CB -0.764 37.620 38.460 -0.127 0.000 1.121 331 Y HN 0.093 nan 8.280 nan 0.000 0.529 332 N N -1.197 117.531 118.700 0.048 0.000 2.177 332 N HA 0.210 4.950 4.740 -0.000 0.000 0.218 332 N C 1.187 176.671 175.510 -0.043 0.000 1.182 332 N CA 0.518 53.578 53.050 0.017 0.000 0.882 332 N CB 0.682 39.187 38.487 0.030 0.000 1.052 332 N HN 0.283 nan 8.380 nan 0.000 0.519 333 G N -0.247 108.444 108.800 -0.182 0.000 2.168 333 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.263 333 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.263 333 G C -0.309 174.537 174.900 -0.090 0.000 0.977 333 G CA 0.557 45.535 45.100 -0.204 0.000 0.659 333 G HN 0.532 nan 8.290 nan 0.000 0.533 334 Q N -0.810 118.933 119.800 -0.095 0.000 2.221 334 Q HA 0.597 4.937 4.340 -0.000 0.000 0.242 334 Q C -0.021 175.972 176.000 -0.012 0.000 0.940 334 Q CA -0.773 55.020 55.803 -0.016 0.000 0.896 334 Q CB 2.245 30.974 28.738 -0.015 0.000 1.226 334 Q HN 0.129 nan 8.270 nan 0.000 0.463 335 V N 3.397 123.329 119.914 0.030 0.000 2.348 335 V HA 0.303 4.423 4.120 -0.000 0.000 0.270 335 V C -0.255 175.781 176.094 -0.097 0.000 1.037 335 V CA -0.075 62.233 62.300 0.013 0.000 0.872 335 V CB 0.041 31.898 31.823 0.056 0.000 1.002 335 V HN 0.501 nan 8.190 nan 0.000 0.464 336 L N 7.303 128.361 121.223 -0.274 0.000 2.309 336 L HA 0.667 5.007 4.340 -0.000 0.000 0.261 336 L C -2.394 174.210 176.870 -0.444 0.000 1.021 336 L CA -2.084 52.567 54.840 -0.315 0.000 0.823 336 L CB 2.956 44.871 42.059 -0.241 0.000 1.366 336 L HN 0.355 nan 8.230 nan 0.000 0.423 337 P HA 0.364 nan 4.420 nan 0.000 0.276 337 P C -0.117 177.164 177.300 -0.032 0.000 1.252 337 P CA 0.197 63.220 63.100 -0.127 0.000 0.802 337 P CB 1.200 32.858 31.700 -0.070 0.000 1.035 338 G N -0.234 108.543 108.800 -0.039 0.000 2.655 338 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.680 338 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.680 338 G C -1.277 173.616 174.900 -0.011 0.000 1.302 338 G CA -0.905 44.146 45.100 -0.081 0.000 0.872 338 G HN 0.319 nan 8.290 nan 0.000 0.540 339 Y N -0.857 119.457 120.300 0.024 0.000 2.457 339 Y HA 0.607 5.157 4.550 -0.000 0.000 0.341 339 Y C 1.030 176.937 175.900 0.012 0.000 1.240 339 Y CA 0.771 58.818 58.100 -0.087 0.000 1.437 339 Y CB 1.316 39.770 38.460 -0.010 0.000 1.328 339 Y HN 0.891 nan 8.280 nan 0.000 0.588 340 M N 2.998 122.744 119.600 0.244 0.000 2.333 340 M HA 0.531 5.011 4.480 -0.000 0.000 0.286 340 M C -2.469 173.944 176.300 0.188 0.000 1.113 340 M CA -0.558 54.819 55.300 0.129 0.000 0.959 340 M CB 1.040 33.430 32.600 -0.349 0.000 1.776 340 M HN 0.360 nan 8.290 nan 0.000 0.492 341 F N 1.098 121.216 119.950 0.281 0.000 2.620 341 F HA 0.940 5.467 4.527 -0.000 0.000 0.320 341 F C 0.284 176.187 175.800 0.173 0.000 1.069 341 F CA -0.357 57.823 58.000 0.299 0.000 0.953 341 F CB 2.591 41.770 39.000 0.298 0.000 1.322 341 F HN 0.687 nan 8.300 nan 0.000 0.479 342 T N -1.102 113.668 114.554 0.360 0.000 2.653 342 T HA 0.354 4.704 4.350 -0.000 0.000 0.306 342 T C -2.165 172.717 174.700 0.303 0.000 1.426 342 T CA -0.516 61.687 62.100 0.171 0.000 1.008 342 T CB 0.902 69.637 68.868 -0.221 0.000 1.692 342 T HN 0.616 nan 8.240 nan 0.000 0.483 343 D N 0.881 121.444 120.400 0.271 0.000 2.800 343 D HA -0.077 4.563 4.640 -0.000 0.000 0.248 343 D C -0.535 175.975 176.300 0.350 0.000 1.091 343 D CA 1.511 55.769 54.000 0.431 0.000 0.746 343 D CB -1.407 39.749 40.800 0.593 0.000 1.062 343 D HN 0.661 nan 8.370 nan 0.000 0.431 344 T N -1.405 113.189 114.554 0.066 0.000 2.840 344 T HA 0.631 4.981 4.350 -0.000 0.000 0.317 344 T C -0.868 173.143 174.700 -1.148 0.000 1.401 344 T CA 0.009 61.904 62.100 -0.341 0.000 1.028 344 T CB 1.855 70.739 68.868 0.026 0.000 1.317 344 T HN 0.243 nan 8.240 nan 0.000 0.495 345 G N 1.979 109.822 108.800 -1.596 0.000 2.675 345 G HA2 0.551 4.511 3.960 -0.000 0.000 0.297 345 G HA3 0.551 4.511 3.960 -0.000 0.000 0.297 345 G C 0.327 174.915 174.900 -0.521 0.000 1.399 345 G CA -0.568 43.402 45.100 -1.884 0.000 0.981 345 G HN 0.562 nan 8.290 nan 0.000 0.519 346 F N 0.841 120.698 119.950 -0.155 0.000 2.269 346 F HA 0.037 4.564 4.527 -0.000 0.000 0.301 346 F C 2.021 177.999 175.800 0.296 0.000 1.082 346 F CA -0.024 58.037 58.000 0.101 0.000 1.360 346 F CB -0.309 38.733 39.000 0.069 0.000 1.041 346 F HN 0.743 nan 8.300 nan 0.000 0.512 347 W N 1.629 123.090 121.300 0.268 0.000 2.350 347 W HA -0.209 4.451 4.660 -0.000 0.000 0.289 347 W C 1.800 178.469 176.519 0.250 0.000 1.215 347 W CA 1.904 59.459 57.345 0.351 0.000 1.236 347 W CB -0.153 29.488 29.460 0.302 0.000 1.130 347 W HN -0.074 nan 8.180 nan 0.000 0.541 348 D N -1.349 119.217 120.400 0.278 0.000 2.202 348 D HA -0.106 4.534 4.640 -0.000 0.000 0.214 348 D C 2.145 178.409 176.300 -0.060 0.000 0.967 348 D CA 2.386 56.413 54.000 0.045 0.000 0.871 348 D CB -0.798 40.104 40.800 0.170 0.000 1.020 348 D HN 0.223 nan 8.370 nan 0.000 0.474 349 T N -0.788 113.846 114.554 0.134 0.000 3.107 349 T HA 0.005 4.355 4.350 -0.000 0.000 0.249 349 T C 1.868 176.760 174.700 0.319 0.000 1.096 349 T CA -0.242 61.997 62.100 0.231 0.000 1.012 349 T CB -0.713 68.376 68.868 0.369 0.000 0.977 349 T HN 0.207 nan 8.240 nan 0.000 0.527 350 F N 1.937 122.000 119.950 0.188 0.000 2.293 350 F HA 0.250 4.777 4.527 -0.000 0.000 0.300 350 F C 2.210 177.997 175.800 -0.021 0.000 1.086 350 F CA -0.121 57.905 58.000 0.044 0.000 1.375 350 F CB -0.363 38.591 39.000 -0.077 0.000 1.045 350 F HN -0.048 nan 8.300 nan 0.000 0.516 351 R N 0.482 120.433 120.500 -0.915 0.000 2.070 351 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 351 R C 1.976 178.103 176.300 -0.289 0.000 1.138 351 R CA 2.260 57.897 56.100 -0.772 0.000 0.936 351 R CB -0.841 29.075 30.300 -0.640 0.000 0.839 351 R HN 0.656 nan 8.270 nan 0.000 0.429 352 C N -2.615 116.629 119.300 -0.094 0.000 4.154 352 C HA 0.362 4.822 4.460 -0.000 0.000 0.359 352 C C 1.861 176.997 174.990 0.243 0.000 1.702 352 C CA -0.895 58.098 59.018 -0.042 0.000 1.900 352 C CB -0.574 27.038 27.740 -0.213 0.000 3.051 352 C HN 0.365 nan 8.230 nan 0.000 0.670 353 L N 1.024 122.365 121.223 0.196 0.000 2.005 353 L HA 0.138 4.478 4.340 -0.000 0.000 0.207 353 L C 2.185 179.120 176.870 0.108 0.000 1.072 353 L CA 2.275 57.210 54.840 0.159 0.000 0.744 353 L CB -1.141 40.968 42.059 0.082 0.000 0.895 353 L HN 0.346 nan 8.230 nan 0.000 0.433 354 F N 0.675 120.721 119.950 0.160 0.000 2.186 354 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 354 F C -0.277 175.619 175.800 0.160 0.000 1.090 354 F CA 1.348 59.426 58.000 0.131 0.000 1.307 354 F CB -1.830 37.200 39.000 0.049 0.000 1.019 354 F HN 0.196 nan 8.300 nan 0.000 0.489 355 P HA -0.179 nan 4.420 nan 0.000 0.218 355 P C 1.900 179.522 177.300 0.536 0.000 1.148 355 P CA 1.051 64.347 63.100 0.326 0.000 0.822 355 P CB -0.008 31.784 31.700 0.152 0.000 0.784 356 L N -0.799 120.767 121.223 0.572 0.000 2.042 356 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 356 L C 2.103 179.194 176.870 0.368 0.000 1.076 356 L CA 1.816 56.877 54.840 0.367 0.000 0.749 356 L CB -1.347 40.810 42.059 0.164 0.000 0.893 356 L HN -0.104 nan 8.230 nan 0.000 0.432 357 L N -0.821 120.612 121.223 0.350 0.000 2.046 357 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 357 L C 2.107 179.175 176.870 0.331 0.000 1.077 357 L CA 1.896 56.956 54.840 0.368 0.000 0.747 357 L CB -0.837 41.337 42.059 0.192 0.000 0.896 357 L HN 0.388 nan 8.230 nan 0.000 0.432 358 N N -0.243 118.637 118.700 0.300 0.000 2.381 358 N HA -0.171 4.569 4.740 -0.000 0.000 0.182 358 N C 1.672 177.420 175.510 0.396 0.000 1.025 358 N CA 0.560 53.765 53.050 0.259 0.000 0.888 358 N CB 0.063 38.632 38.487 0.136 0.000 0.965 358 N HN 0.174 nan 8.380 nan 0.000 0.438 359 L N -0.253 121.244 121.223 0.457 0.000 2.130 359 L HA 0.139 4.479 4.340 -0.000 0.000 0.200 359 L C 1.579 178.734 176.870 0.474 0.000 1.075 359 L CA 1.373 56.524 54.840 0.517 0.000 0.768 359 L CB 0.032 42.378 42.059 0.479 0.000 0.933 359 L HN 0.087 nan 8.230 nan 0.000 0.451 360 M N -1.763 117.967 119.600 0.217 0.000 2.514 360 M HA 0.182 4.662 4.480 -0.000 0.000 0.258 360 M C -0.078 175.881 176.300 -0.569 0.000 1.159 360 M CA 0.675 55.849 55.300 -0.211 0.000 1.116 360 M CB -0.154 32.116 32.600 -0.550 0.000 1.333 360 M HN 0.166 nan 8.290 nan 0.000 0.487 361 Y N -0.187 120.250 120.300 0.228 0.000 2.555 361 Y HA 0.313 4.863 4.550 -0.000 0.000 0.317 361 Y C -1.707 174.244 175.900 0.085 0.000 0.928 361 Y CA -1.831 56.360 58.100 0.152 0.000 1.116 361 Y CB -0.246 38.317 38.460 0.172 0.000 1.169 361 Y HN 0.056 nan 8.280 nan 0.000 0.627 362 P HA -0.196 nan 4.420 nan 0.000 0.219 362 P C 1.601 178.939 177.300 0.062 0.000 1.146 362 P CA 1.902 65.094 63.100 0.154 0.000 0.808 362 P CB 0.264 32.086 31.700 0.202 0.000 0.779 363 S N -0.804 114.929 115.700 0.056 0.000 2.399 363 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 363 S C 2.029 176.582 174.600 -0.079 0.000 1.022 363 S CA 1.206 59.409 58.200 0.005 0.000 0.983 363 S CB -1.656 61.564 63.200 0.034 0.000 0.803 363 S HN -0.005 nan 8.310 nan 0.000 0.480 364 V N 2.623 122.461 119.914 -0.127 0.000 2.407 364 V HA -0.049 4.071 4.120 -0.000 0.000 0.245 364 V C 2.737 178.598 176.094 -0.388 0.000 1.041 364 V CA 1.833 63.924 62.300 -0.348 0.000 1.040 364 V CB -1.094 30.312 31.823 -0.695 0.000 0.671 364 V HN 0.516 nan 8.190 nan 0.000 0.455 365 N N 0.646 119.208 118.700 -0.231 0.000 2.244 365 N HA -0.170 4.570 4.740 -0.000 0.000 0.183 365 N C 1.713 177.133 175.510 -0.150 0.000 1.016 365 N CA 1.138 54.088 53.050 -0.166 0.000 0.866 365 N CB -0.217 38.278 38.487 0.013 0.000 0.980 365 N HN 0.292 nan 8.380 nan 0.000 0.430 366 K N 1.430 121.758 120.400 -0.119 0.000 2.059 366 K HA -0.136 4.184 4.320 -0.000 0.000 0.212 366 K C 1.602 178.104 176.600 -0.164 0.000 1.050 366 K CA 1.652 57.879 56.287 -0.100 0.000 0.927 366 K CB -0.358 32.100 32.500 -0.071 0.000 0.714 366 K HN 0.360 nan 8.250 nan 0.000 0.447 367 E N -0.458 119.557 120.200 -0.309 0.000 2.077 367 E HA -0.180 4.169 4.350 -0.000 0.000 0.193 367 E C 2.147 178.660 176.600 -0.145 0.000 0.989 367 E CA 1.634 57.740 56.400 -0.489 0.000 0.800 367 E CB -0.167 29.216 29.700 -0.528 0.000 0.746 367 E HN 0.366 nan 8.360 nan 0.000 0.452 368 M N 0.546 119.906 119.600 -0.400 0.000 2.077 368 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 368 M C 2.367 178.656 176.300 -0.018 0.000 1.070 368 M CA 1.259 56.315 55.300 -0.407 0.000 1.125 368 M CB -0.141 32.165 32.600 -0.489 0.000 1.339 368 M HN -0.031 nan 8.290 nan 0.000 0.409 369 Q N 0.518 120.294 119.800 -0.039 0.000 2.077 369 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 369 Q C 1.936 177.997 176.000 0.101 0.000 0.989 369 Q CA 1.478 57.283 55.803 0.004 0.000 0.853 369 Q CB -0.745 27.976 28.738 -0.029 0.000 0.907 369 Q HN 0.498 nan 8.270 nan 0.000 0.418 370 E N -0.035 120.236 120.200 0.119 0.000 2.097 370 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 370 E C 2.052 178.807 176.600 0.258 0.000 1.000 370 E CA 1.294 57.816 56.400 0.203 0.000 0.804 370 E CB -0.540 29.331 29.700 0.284 0.000 0.740 370 E HN 0.530 nan 8.360 nan 0.000 0.454 371 G N 1.212 110.201 108.800 0.314 0.000 2.440 371 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 371 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 371 G C 1.767 176.829 174.900 0.271 0.000 1.154 371 G CA 0.688 45.998 45.100 0.349 0.000 0.767 371 G HN 0.191 nan 8.290 nan 0.000 0.552 372 L N 0.393 121.783 121.223 0.278 0.000 2.046 372 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 372 L C 2.836 179.951 176.870 0.408 0.000 1.077 372 L CA 0.432 55.482 54.840 0.351 0.000 0.747 372 L CB -0.513 41.719 42.059 0.288 0.000 0.896 372 L HN 0.103 nan 8.230 nan 0.000 0.432 373 I N 0.490 121.268 120.570 0.346 0.000 2.118 373 I HA -0.337 3.833 4.170 -0.000 0.000 0.241 373 I C 2.146 178.351 176.117 0.146 0.000 1.070 373 I CA 1.834 63.291 61.300 0.262 0.000 1.327 373 I CB -1.507 36.616 38.000 0.205 0.000 1.034 373 I HN 0.383 nan 8.210 nan 0.000 0.405 374 N N -0.126 118.657 118.700 0.137 0.000 2.149 374 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 374 N C 1.649 177.150 175.510 -0.015 0.000 1.019 374 N CA 1.863 54.967 53.050 0.089 0.000 0.857 374 N CB -0.064 38.511 38.487 0.146 0.000 0.997 374 N HN 0.400 nan 8.380 nan 0.000 0.426 375 T N -0.050 114.465 114.554 -0.065 0.000 2.746 375 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 375 T C 1.563 176.077 174.700 -0.309 0.000 1.039 375 T CA 1.025 62.894 62.100 -0.384 0.000 1.142 375 T CB -0.526 68.106 68.868 -0.394 0.000 0.866 375 T HN 0.315 nan 8.240 nan 0.000 0.444 376 Y N 2.110 122.204 120.300 -0.343 0.000 2.097 376 Y HA -0.128 4.422 4.550 -0.000 0.000 0.282 376 Y C 2.009 177.711 175.900 -0.331 0.000 1.152 376 Y CA 1.086 58.883 58.100 -0.504 0.000 1.136 376 Y CB -0.768 37.144 38.460 -0.912 0.000 0.975 376 Y HN 0.129 nan 8.280 nan 0.000 0.498 377 L N -0.144 120.845 121.223 -0.390 0.000 2.131 377 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 377 L C 2.174 178.869 176.870 -0.291 0.000 1.092 377 L CA 1.830 56.435 54.840 -0.391 0.000 0.759 377 L CB -0.452 41.513 42.059 -0.156 0.000 0.903 377 L HN 0.268 nan 8.230 nan 0.000 0.435 378 E N -1.071 119.010 120.200 -0.198 0.000 2.385 378 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 378 E C 1.899 178.467 176.600 -0.052 0.000 1.013 378 E CA 0.962 57.309 56.400 -0.087 0.000 0.866 378 E CB 0.298 30.007 29.700 0.015 0.000 0.832 378 E HN 0.450 nan 8.360 nan 0.000 0.500 379 S N -2.015 113.623 115.700 -0.103 0.000 2.649 379 S HA 0.285 4.755 4.470 -0.000 0.000 0.246 379 S C 1.550 176.217 174.600 0.112 0.000 1.057 379 S CA 0.385 58.650 58.200 0.108 0.000 1.051 379 S CB 1.060 64.404 63.200 0.241 0.000 1.018 379 S HN 0.266 nan 8.310 nan 0.000 0.569 380 G N 0.459 109.132 108.800 -0.211 0.000 2.199 380 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.254 380 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.254 380 G C -0.121 174.494 174.900 -0.476 0.000 0.982 380 G CA 0.409 45.230 45.100 -0.465 0.000 0.632 380 G HN 0.544 nan 8.290 nan 0.000 0.529 381 F N -0.796 119.140 119.950 -0.023 0.000 2.599 381 F HA 0.759 5.286 4.527 -0.000 0.000 0.311 381 F C 0.141 176.042 175.800 0.168 0.000 1.076 381 F CA -1.418 56.677 58.000 0.159 0.000 0.937 381 F CB 1.155 40.217 39.000 0.102 0.000 1.282 381 F HN -0.065 nan 8.300 nan 0.000 0.460 382 F N 3.542 123.753 119.950 0.435 0.000 2.450 382 F HA 0.324 4.851 4.527 -0.000 0.000 0.339 382 F C -1.826 174.212 175.800 0.396 0.000 1.146 382 F CA -1.969 56.217 58.000 0.310 0.000 1.267 382 F CB 0.086 39.186 39.000 0.166 0.000 1.178 382 F HN 0.096 nan 8.300 nan 0.000 0.585 383 P HA 0.207 nan 4.420 nan 0.000 0.282 383 P C -0.548 176.955 177.300 0.339 0.000 1.259 383 P CA -0.252 63.154 63.100 0.510 0.000 0.826 383 P CB 1.937 33.827 31.700 0.317 0.000 1.064 384 E N 0.542 120.877 120.200 0.225 0.000 2.307 384 E HA 0.081 4.431 4.350 -0.000 0.000 0.192 384 E C -0.139 176.387 176.600 -0.124 0.000 0.967 384 E CA 0.756 57.233 56.400 0.129 0.000 1.042 384 E CB -0.276 29.579 29.700 0.259 0.000 1.126 384 E HN 0.489 nan 8.360 nan 0.000 0.484 385 W N 0.987 122.297 121.300 0.018 0.000 2.391 385 W HA 0.539 5.199 4.660 -0.000 0.000 0.311 385 W C -0.618 175.895 176.519 -0.010 0.000 1.087 385 W CA -0.308 57.027 57.345 -0.015 0.000 1.209 385 W CB 1.402 30.878 29.460 0.027 0.000 1.273 385 W HN 0.033 nan 8.180 nan 0.000 0.482 386 A N 3.130 126.137 122.820 0.312 0.000 2.343 386 A HA 0.667 4.987 4.320 -0.000 0.000 0.308 386 A C -0.724 176.977 177.584 0.196 0.000 1.092 386 A CA -0.530 51.605 52.037 0.162 0.000 0.751 386 A CB 1.753 20.790 19.000 0.061 0.000 1.203 386 A HN 0.351 nan 8.150 nan 0.000 0.452 387 S N 3.877 119.583 115.700 0.010 0.000 2.769 387 S HA 0.458 4.928 4.470 -0.000 0.000 0.150 387 S C -2.588 171.791 174.600 -0.368 0.000 1.034 387 S CA -0.462 57.726 58.200 -0.021 0.000 1.096 387 S CB 0.999 64.315 63.200 0.192 0.000 1.567 387 S HN 0.466 nan 8.310 nan 0.000 0.435 388 P HA 0.282 nan 4.420 nan 0.000 0.232 388 P C 1.061 177.855 177.300 -0.843 0.000 1.170 388 P CA 0.395 63.002 63.100 -0.821 0.000 0.824 388 P CB 0.030 30.970 31.700 -1.266 0.000 0.896 389 G N -0.107 108.191 108.800 -0.837 0.000 2.535 389 G HA2 0.136 4.096 3.960 -0.000 0.000 0.282 389 G HA3 0.136 4.096 3.960 -0.000 0.000 0.282 389 G C -0.427 174.195 174.900 -0.463 0.000 1.350 389 G CA -0.350 44.158 45.100 -0.987 0.000 1.039 389 G HN 0.118 nan 8.290 nan 0.000 0.509 390 H N 0.758 119.757 119.070 -0.119 0.000 3.004 390 H HA 0.173 4.729 4.556 -0.000 0.000 0.316 390 H C 0.335 175.597 175.328 -0.110 0.000 1.014 390 H CA 0.564 56.589 56.048 -0.040 0.000 1.454 390 H CB 0.460 30.131 29.762 -0.152 0.000 1.472 390 H HN 0.137 nan 8.280 nan 0.000 0.571 391 R N 1.538 122.095 120.500 0.095 0.000 2.686 391 R HA 0.328 4.668 4.340 -0.000 0.000 0.286 391 R C 0.209 176.529 176.300 0.033 0.000 0.969 391 R CA -0.959 55.150 56.100 0.014 0.000 0.898 391 R CB 2.206 32.492 30.300 -0.024 0.000 1.183 391 R HN 0.769 nan 8.270 nan 0.000 0.456 392 G N 0.556 109.342 108.800 -0.024 0.000 2.338 392 G HA2 0.429 4.389 3.960 -0.000 0.000 0.295 392 G HA3 0.429 4.389 3.960 -0.000 0.000 0.295 392 G C -0.572 174.301 174.900 -0.046 0.000 1.132 392 G CA -0.100 44.992 45.100 -0.012 0.000 0.922 392 G HN 0.542 nan 8.290 nan 0.000 0.427 393 C N 5.154 124.453 119.300 -0.000 0.000 3.274 393 C HA 0.530 4.990 4.460 -0.000 0.000 0.415 393 C C -0.087 174.954 174.990 0.086 0.000 1.009 393 C CA -0.631 58.348 59.018 -0.066 0.000 1.163 393 C CB 0.163 27.669 27.740 -0.389 0.000 1.549 393 C HN 1.125 nan 8.230 nan 0.000 0.599 394 M N 2.756 122.321 119.600 -0.059 0.000 7.319 394 M HA -0.156 4.324 4.480 -0.000 0.000 0.181 394 M C 0.110 176.364 176.300 -0.075 0.000 0.480 394 M CA 1.895 57.060 55.300 -0.225 0.000 1.311 394 M CB -2.214 30.218 32.600 -0.279 0.000 0.421 394 M HN 1.956 nan 8.290 nan 0.000 0.232 395 V N -3.526 116.352 119.914 -0.060 0.000 3.112 395 V HA 1.017 5.137 4.120 -0.000 0.000 0.310 395 V C 0.188 176.507 176.094 0.375 0.000 1.364 395 V CA 0.675 63.058 62.300 0.138 0.000 1.058 395 V CB 1.115 32.973 31.823 0.059 0.000 1.079 395 V HN 2.693 nan 8.190 nan 0.000 0.463 396 G N 0.593 109.567 108.800 0.290 0.000 2.756 396 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.678 396 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.678 396 G C -0.364 174.785 174.900 0.416 0.000 1.349 396 G CA 0.173 45.486 45.100 0.354 0.000 0.847 396 G HN 1.822 nan 8.290 nan 0.000 0.548 397 N N -0.147 118.771 118.700 0.363 0.000 2.599 397 N HA 0.156 4.896 4.740 -0.000 0.000 0.309 397 N C 0.944 176.491 175.510 0.061 0.000 1.743 397 N CA 0.070 53.246 53.050 0.210 0.000 0.918 397 N CB -0.106 38.443 38.487 0.103 0.000 1.339 397 N HN 0.498 nan 8.380 nan 0.000 0.493 398 N N -0.555 118.186 118.700 0.069 0.000 2.515 398 N HA -0.108 4.632 4.740 -0.000 0.000 0.185 398 N C 1.888 177.256 175.510 -0.238 0.000 1.109 398 N CA 0.416 53.361 53.050 -0.174 0.000 0.903 398 N CB 0.305 38.643 38.487 -0.248 0.000 0.969 398 N HN 0.318 nan 8.380 nan 0.000 0.450 399 S N 0.559 116.206 115.700 -0.089 0.000 2.402 399 S HA -0.209 4.261 4.470 -0.000 0.000 0.233 399 S C 2.080 176.351 174.600 -0.547 0.000 1.030 399 S CA 1.000 58.962 58.200 -0.396 0.000 1.003 399 S CB -0.404 62.802 63.200 0.011 0.000 0.813 399 S HN 0.363 nan 8.310 nan 0.000 0.477 400 A N 1.200 123.785 122.820 -0.391 0.000 1.969 400 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 400 A C 2.440 179.747 177.584 -0.462 0.000 1.169 400 A CA 1.691 53.468 52.037 -0.434 0.000 0.635 400 A CB -1.251 17.532 19.000 -0.362 0.000 0.810 400 A HN 0.592 nan 8.150 nan 0.000 0.445 401 S N -0.370 115.058 115.700 -0.452 0.000 2.355 401 S HA -0.116 4.354 4.470 -0.000 0.000 0.222 401 S C 1.955 176.344 174.600 -0.352 0.000 1.031 401 S CA 1.297 59.278 58.200 -0.365 0.000 0.993 401 S CB -0.430 62.617 63.200 -0.256 0.000 0.859 401 S HN 0.385 nan 8.310 nan 0.000 0.453 402 I N 1.874 122.132 120.570 -0.520 0.000 2.087 402 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 402 I C 2.380 178.163 176.117 -0.556 0.000 1.054 402 I CA 1.567 62.444 61.300 -0.705 0.000 1.311 402 I CB -1.592 35.583 38.000 -1.375 0.000 1.024 402 I HN 0.358 nan 8.210 nan 0.000 0.402 403 L N -0.276 120.589 121.223 -0.597 0.000 2.046 403 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 403 L C 2.563 179.243 176.870 -0.317 0.000 1.077 403 L CA 0.885 55.433 54.840 -0.487 0.000 0.747 403 L CB -0.519 41.160 42.059 -0.634 0.000 0.896 403 L HN 0.043 nan 8.230 nan 0.000 0.432 404 V N -0.750 118.969 119.914 -0.325 0.000 2.535 404 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 404 V C 2.041 178.027 176.094 -0.180 0.000 1.045 404 V CA 1.651 63.797 62.300 -0.257 0.000 1.058 404 V CB -0.233 31.384 31.823 -0.344 0.000 0.689 404 V HN 0.424 nan 8.190 nan 0.000 0.461 405 D N 0.659 120.949 120.400 -0.184 0.000 2.149 405 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 405 D C 2.086 178.309 176.300 -0.128 0.000 0.990 405 D CA 1.549 55.467 54.000 -0.136 0.000 0.839 405 D CB -0.025 40.718 40.800 -0.094 0.000 0.948 405 D HN 0.375 nan 8.370 nan 0.000 0.460 406 A N -0.764 121.981 122.820 -0.124 0.000 1.873 406 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 406 A C 2.211 179.748 177.584 -0.079 0.000 1.186 406 A CA 1.404 53.385 52.037 -0.092 0.000 0.616 406 A CB -1.273 17.667 19.000 -0.100 0.000 0.823 406 A HN 0.488 nan 8.150 nan 0.000 0.442 407 Y N -0.237 119.964 120.300 -0.165 0.000 2.181 407 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 407 Y C 2.262 178.072 175.900 -0.149 0.000 1.146 407 Y CA 2.007 60.021 58.100 -0.144 0.000 1.164 407 Y CB -0.134 38.231 38.460 -0.158 0.000 0.982 407 Y HN 0.195 nan 8.280 nan 0.000 0.515 408 M N 0.146 119.763 119.600 0.028 0.000 2.374 408 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 408 M C 1.242 177.435 176.300 -0.180 0.000 1.067 408 M CA 1.508 56.774 55.300 -0.055 0.000 1.103 408 M CB -0.737 31.801 32.600 -0.103 0.000 1.402 408 M HN 0.186 nan 8.290 nan 0.000 0.444 409 K N -0.345 119.919 120.400 -0.226 0.000 2.500 409 K HA 0.291 4.611 4.320 -0.000 0.000 0.206 409 K C 0.822 177.311 176.600 -0.185 0.000 1.034 409 K CA 0.281 56.374 56.287 -0.324 0.000 1.179 409 K CB 0.022 32.225 32.500 -0.495 0.000 0.884 409 K HN 0.462 nan 8.250 nan 0.000 0.493 410 G N 0.727 109.403 108.800 -0.206 0.000 2.148 410 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 410 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 410 G C 0.048 174.868 174.900 -0.132 0.000 0.981 410 G CA -0.018 44.980 45.100 -0.171 0.000 0.670 410 G HN 0.170 nan 8.290 nan 0.000 0.528 411 V N 1.529 121.361 119.914 -0.136 0.000 2.247 411 V HA 0.371 4.491 4.120 -0.000 0.000 0.262 411 V C 0.371 176.397 176.094 -0.114 0.000 1.096 411 V CA -0.251 61.999 62.300 -0.083 0.000 0.895 411 V CB 0.699 32.502 31.823 -0.033 0.000 1.141 411 V HN 0.351 nan 8.190 nan 0.000 0.478 412 K N 3.545 123.864 120.400 -0.135 0.000 2.307 412 K HA 0.603 4.923 4.320 -0.000 0.000 0.263 412 K C -0.068 176.537 176.600 0.007 0.000 0.973 412 K CA -0.725 55.497 56.287 -0.107 0.000 0.846 412 K CB 2.354 34.693 32.500 -0.268 0.000 1.100 412 K HN 0.457 nan 8.250 nan 0.000 0.438 413 V N -0.698 119.259 119.914 0.071 0.000 3.432 413 V HA -0.028 4.092 4.120 -0.000 0.000 0.304 413 V C 0.645 176.788 176.094 0.082 0.000 1.107 413 V CA 0.078 62.426 62.300 0.081 0.000 1.153 413 V CB 0.573 32.457 31.823 0.101 0.000 1.072 413 V HN 0.695 nan 8.190 nan 0.000 0.485 414 D N -0.030 120.418 120.400 0.081 0.000 2.277 414 D HA 0.026 4.666 4.640 -0.000 0.000 0.208 414 D C 0.357 176.696 176.300 0.065 0.000 0.962 414 D CA 1.346 55.387 54.000 0.068 0.000 0.865 414 D CB 0.080 40.920 40.800 0.066 0.000 0.939 414 D HN 0.831 nan 8.370 nan 0.000 0.510 415 D N 0.466 120.910 120.400 0.074 0.000 2.432 415 D HA 0.095 4.735 4.640 -0.000 0.000 0.265 415 D C 1.700 178.038 176.300 0.062 0.000 1.160 415 D CA -0.391 53.647 54.000 0.063 0.000 0.911 415 D CB 0.305 41.143 40.800 0.063 0.000 1.052 415 D HN 0.025 nan 8.370 nan 0.000 0.508 416 I N 0.397 120.999 120.570 0.052 0.000 2.179 416 I HA -0.176 3.994 4.170 -0.000 0.000 0.242 416 I C 2.359 178.475 176.117 -0.001 0.000 1.088 416 I CA 1.147 62.457 61.300 0.017 0.000 1.357 416 I CB -0.867 37.124 38.000 -0.015 0.000 1.051 416 I HN 0.194 nan 8.210 nan 0.000 0.409 417 K N 1.751 122.152 120.400 0.002 0.000 2.020 417 K HA -0.197 4.123 4.320 -0.000 0.000 0.212 417 K C 2.070 178.688 176.600 0.030 0.000 1.050 417 K CA 2.780 59.071 56.287 0.007 0.000 0.929 417 K CB -2.144 30.358 32.500 0.004 0.000 0.714 417 K HN 0.573 nan 8.250 nan 0.000 0.443 418 T N 0.856 115.431 114.554 0.035 0.000 2.881 418 T HA -0.065 4.285 4.350 -0.000 0.000 0.270 418 T C 1.905 176.591 174.700 -0.024 0.000 1.068 418 T CA 1.130 63.253 62.100 0.039 0.000 1.131 418 T CB -0.257 68.661 68.868 0.083 0.000 0.871 418 T HN 0.344 nan 8.240 nan 0.000 0.479 419 L N 0.326 121.567 121.223 0.029 0.000 1.994 419 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 419 L C 2.090 178.958 176.870 -0.003 0.000 1.071 419 L CA 1.803 56.677 54.840 0.057 0.000 0.745 419 L CB -1.005 41.073 42.059 0.033 0.000 0.892 419 L HN 0.231 nan 8.230 nan 0.000 0.431 420 Y N 0.668 120.876 120.300 -0.153 0.000 2.200 420 Y HA -0.196 4.354 4.550 -0.000 0.000 0.290 420 Y C 2.488 178.284 175.900 -0.173 0.000 1.137 420 Y CA 2.092 60.078 58.100 -0.189 0.000 1.163 420 Y CB -0.140 38.203 38.460 -0.194 0.000 0.988 420 Y HN 0.404 nan 8.280 nan 0.000 0.518 421 E N -0.965 119.200 120.200 -0.058 0.000 2.118 421 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 421 E C 2.378 178.792 176.600 -0.311 0.000 0.992 421 E CA 1.014 57.343 56.400 -0.120 0.000 0.804 421 E CB -0.521 29.165 29.700 -0.023 0.000 0.741 421 E HN 0.614 nan 8.360 nan 0.000 0.458 422 G N 1.176 109.598 108.800 -0.630 0.000 2.422 422 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 422 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 422 G C 1.586 176.274 174.900 -0.352 0.000 1.140 422 G CA 0.232 44.629 45.100 -1.173 0.000 0.775 422 G HN 0.065 nan 8.290 nan 0.000 0.545 423 L N 0.325 121.431 121.223 -0.195 0.000 2.017 423 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 423 L C 2.784 179.467 176.870 -0.312 0.000 1.073 423 L CA 0.494 55.184 54.840 -0.248 0.000 0.745 423 L CB -0.383 41.399 42.059 -0.461 0.000 0.894 423 L HN 0.095 nan 8.230 nan 0.000 0.432 424 I N -0.483 119.846 120.570 -0.401 0.000 2.163 424 I HA -0.348 3.822 4.170 -0.000 0.000 0.243 424 I C 2.580 178.605 176.117 -0.152 0.000 1.085 424 I CA 1.620 62.764 61.300 -0.260 0.000 1.347 424 I CB -1.616 36.259 38.000 -0.208 0.000 1.044 424 I HN 0.414 nan 8.210 nan 0.000 0.408 425 H N 1.092 120.021 119.070 -0.236 0.000 2.387 425 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 425 H C 2.126 177.316 175.328 -0.229 0.000 1.099 425 H CA 1.831 57.740 56.048 -0.231 0.000 1.315 425 H CB -0.030 29.593 29.762 -0.231 0.000 1.380 425 H HN 0.331 nan 8.280 nan 0.000 0.513 426 G N -0.313 108.420 108.800 -0.111 0.000 2.422 426 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 426 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 426 G C 1.829 176.630 174.900 -0.164 0.000 1.140 426 G CA 1.254 46.333 45.100 -0.034 0.000 0.775 426 G HN 0.594 nan 8.290 nan 0.000 0.545 427 T N -0.844 113.590 114.554 -0.199 0.000 3.160 427 T HA 0.100 4.450 4.350 -0.000 0.000 0.257 427 T C 1.160 175.664 174.700 -0.326 0.000 1.147 427 T CA 1.226 63.209 62.100 -0.195 0.000 1.064 427 T CB -0.127 68.730 68.868 -0.018 0.000 0.949 427 T HN 0.587 nan 8.240 nan 0.000 0.526 428 E N 0.165 120.018 120.200 -0.578 0.000 3.293 428 E HA 0.295 4.645 4.350 -0.000 0.000 0.174 428 E C -0.786 174.953 176.600 -1.435 0.000 0.958 428 E CA -0.813 54.938 56.400 -1.081 0.000 1.352 428 E CB 0.179 29.605 29.700 -0.456 0.000 1.066 428 E HN 0.285 nan 8.360 nan 0.000 0.448 429 N N 0.661 118.718 118.700 -1.071 0.000 2.484 429 N HA 0.368 5.108 4.740 -0.000 0.000 0.269 429 N C -1.913 173.579 175.510 -0.030 0.000 1.237 429 N CA -0.551 52.197 53.050 -0.502 0.000 0.838 429 N CB 2.931 41.092 38.487 -0.543 0.000 1.593 429 N HN 0.027 nan 8.380 nan 0.000 0.485 430 V N 0.650 120.681 119.914 0.195 0.000 2.876 430 V HA 0.326 4.446 4.120 -0.000 0.000 0.312 430 V C -0.782 175.305 176.094 -0.011 0.000 1.085 430 V CA -0.538 61.845 62.300 0.139 0.000 0.945 430 V CB 1.908 33.846 31.823 0.192 0.000 1.017 430 V HN 0.828 nan 8.190 nan 0.000 0.428 431 H N 7.110 125.888 119.070 -0.486 0.000 2.886 431 H HA 0.311 4.867 4.556 -0.000 0.000 0.329 431 H C -1.837 173.383 175.328 -0.180 0.000 1.044 431 H CA -0.531 55.160 56.048 -0.595 0.000 1.456 431 H CB 1.771 31.058 29.762 -0.792 0.000 1.464 431 H HN 0.474 nan 8.280 nan 0.000 0.573 432 P HA -0.169 nan 4.420 nan 0.000 0.216 432 P C 0.629 177.968 177.300 0.064 0.000 1.150 432 P CA 1.298 64.352 63.100 -0.076 0.000 0.837 432 P CB 0.427 32.047 31.700 -0.133 0.000 0.786 433 E N -1.378 118.977 120.200 0.259 0.000 2.307 433 E HA 0.091 4.441 4.350 -0.000 0.000 0.195 433 E C 0.284 176.968 176.600 0.139 0.000 0.975 433 E CA 0.461 56.988 56.400 0.212 0.000 0.878 433 E CB 0.291 30.122 29.700 0.218 0.000 0.845 433 E HN 0.092 nan 8.360 nan 0.000 0.488 434 V N 2.978 122.977 119.914 0.142 0.000 2.305 434 V HA 0.065 4.184 4.120 -0.000 0.000 0.275 434 V C 1.162 177.238 176.094 -0.030 0.000 1.020 434 V CA -0.064 62.202 62.300 -0.056 0.000 0.811 434 V CB 1.153 32.803 31.823 -0.289 0.000 1.031 434 V HN 0.133 nan 8.190 nan 0.000 0.439 435 S N 2.088 117.797 115.700 0.014 0.000 2.474 435 S HA -0.122 4.348 4.470 -0.000 0.000 0.235 435 S C 1.733 176.362 174.600 0.049 0.000 0.997 435 S CA 1.086 59.308 58.200 0.037 0.000 0.949 435 S CB -0.192 63.037 63.200 0.048 0.000 0.766 435 S HN 0.871 nan 8.310 nan 0.000 0.517 436 S N 0.118 115.843 115.700 0.041 0.000 2.593 436 S HA 0.161 4.631 4.470 -0.000 0.000 0.217 436 S C 0.397 175.047 174.600 0.083 0.000 0.966 436 S CA -0.334 57.919 58.200 0.090 0.000 0.914 436 S CB -0.396 62.874 63.200 0.116 0.000 0.776 436 S HN 0.403 nan 8.310 nan 0.000 0.523 437 T N 2.414 116.948 114.554 -0.034 0.000 2.794 437 T HA 0.669 5.019 4.350 -0.000 0.000 0.280 437 T C 0.577 175.169 174.700 -0.181 0.000 0.987 437 T CA 0.194 62.215 62.100 -0.131 0.000 0.993 437 T CB 0.986 69.585 68.868 -0.450 0.000 0.939 437 T HN 0.782 nan 8.240 nan 0.000 0.449 438 G N 2.902 111.724 108.800 0.037 0.000 2.741 438 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.222 438 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.222 438 G C -0.736 174.242 174.900 0.130 0.000 1.364 438 G CA -0.877 44.329 45.100 0.177 0.000 0.866 438 G HN 0.794 nan 8.290 nan 0.000 0.555 439 R N -0.171 120.382 120.500 0.087 0.000 2.346 439 R HA 0.374 4.714 4.340 -0.000 0.000 0.309 439 R C 0.332 176.795 176.300 0.272 0.000 1.119 439 R CA -0.797 55.359 56.100 0.093 0.000 1.112 439 R CB 0.849 30.961 30.300 -0.313 0.000 1.132 439 R HN 0.535 nan 8.270 nan 0.000 0.538 440 L N 1.871 123.269 121.223 0.290 0.000 2.559 440 L HA 0.064 4.404 4.340 -0.000 0.000 0.282 440 L C 1.203 178.263 176.870 0.315 0.000 1.232 440 L CA 1.745 56.739 54.840 0.257 0.000 0.885 440 L CB 0.427 42.594 42.059 0.180 0.000 1.131 440 L HN 0.913 nan 8.230 nan 0.000 0.498 441 G N 3.323 112.267 108.800 0.240 0.000 2.148 441 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.254 441 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.254 441 G C 0.528 175.571 174.900 0.238 0.000 0.981 441 G CA 0.818 46.073 45.100 0.257 0.000 0.670 441 G HN 1.172 nan 8.290 nan 0.000 0.528 442 Y N 0.512 120.890 120.300 0.131 0.000 2.274 442 Y HA 0.113 4.663 4.550 -0.000 0.000 0.290 442 Y C 2.153 178.104 175.900 0.085 0.000 1.145 442 Y CA 1.697 59.842 58.100 0.075 0.000 1.203 442 Y CB -0.507 37.928 38.460 -0.042 0.000 0.984 442 Y HN 0.383 nan 8.280 nan 0.000 0.533 443 E N 0.528 120.262 120.200 -0.777 0.000 2.038 443 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 443 E C 1.783 178.194 176.600 -0.315 0.000 1.000 443 E CA 2.101 58.122 56.400 -0.631 0.000 0.803 443 E CB -1.106 28.121 29.700 -0.788 0.000 0.750 443 E HN 0.616 nan 8.360 nan 0.000 0.448 444 Y N -0.412 119.793 120.300 -0.158 0.000 2.097 444 Y HA -0.242 4.308 4.550 -0.000 0.000 0.282 444 Y C 2.454 178.304 175.900 -0.084 0.000 1.152 444 Y CA 1.594 59.614 58.100 -0.134 0.000 1.136 444 Y CB -0.947 37.433 38.460 -0.133 0.000 0.975 444 Y HN 0.149 nan 8.280 nan 0.000 0.498 445 Y N 0.843 121.202 120.300 0.098 0.000 2.181 445 Y HA -0.247 4.303 4.550 -0.000 0.000 0.288 445 Y C 1.978 177.914 175.900 0.060 0.000 1.146 445 Y CA 1.906 60.069 58.100 0.105 0.000 1.164 445 Y CB -0.742 37.865 38.460 0.246 0.000 0.982 445 Y HN 0.173 nan 8.280 nan 0.000 0.515 446 N N -0.178 118.620 118.700 0.163 0.000 2.223 446 N HA -0.188 4.552 4.740 -0.000 0.000 0.185 446 N C 1.783 177.248 175.510 -0.074 0.000 1.016 446 N CA 1.239 54.310 53.050 0.036 0.000 0.863 446 N CB -0.139 38.419 38.487 0.119 0.000 0.983 446 N HN 0.339 nan 8.380 nan 0.000 0.429 447 K N 0.781 121.133 120.400 -0.079 0.000 2.242 447 K HA 0.079 4.399 4.320 -0.000 0.000 0.200 447 K C 1.410 177.943 176.600 -0.111 0.000 1.050 447 K CA 0.501 56.730 56.287 -0.096 0.000 0.981 447 K CB 0.341 32.778 32.500 -0.105 0.000 0.795 447 K HN 0.094 nan 8.250 nan 0.000 0.477 448 L N -0.990 120.141 121.223 -0.153 0.000 2.609 448 L HA 0.330 4.670 4.340 -0.000 0.000 0.230 448 L C 1.076 177.877 176.870 -0.115 0.000 1.087 448 L CA 0.387 55.113 54.840 -0.190 0.000 0.874 448 L CB 0.824 42.630 42.059 -0.421 0.000 1.114 448 L HN 0.507 nan 8.230 nan 0.000 0.488 449 G N 0.283 108.970 108.800 -0.188 0.000 2.175 449 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 449 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 449 G C -0.010 174.904 174.900 0.024 0.000 0.982 449 G CA 0.317 45.316 45.100 -0.169 0.000 0.641 449 G HN 0.432 nan 8.290 nan 0.000 0.527 450 Y N -2.867 117.401 120.300 -0.054 0.000 2.677 450 Y HA 0.632 5.182 4.550 -0.000 0.000 0.334 450 Y C -0.387 175.652 175.900 0.232 0.000 1.196 450 Y CA -1.653 56.550 58.100 0.172 0.000 1.059 450 Y CB 0.649 39.143 38.460 0.056 0.000 1.315 450 Y HN 0.437 nan 8.280 nan 0.000 0.455 451 V N 3.188 123.302 119.914 0.333 0.000 2.488 451 V HA 0.388 4.508 4.120 -0.000 0.000 0.277 451 V C -2.187 173.956 176.094 0.082 0.000 1.046 451 V CA -1.514 60.856 62.300 0.116 0.000 0.986 451 V CB 0.697 32.593 31.823 0.122 0.000 0.989 451 V HN 0.615 nan 8.190 nan 0.000 0.475 452 P HA 0.168 nan 4.420 nan 0.000 0.276 452 P C -0.138 177.141 177.300 -0.035 0.000 1.252 452 P CA -0.230 62.855 63.100 -0.024 0.000 0.802 452 P CB 0.584 32.133 31.700 -0.251 0.000 1.035 453 Y N 1.199 121.440 120.300 -0.098 0.000 2.500 453 Y HA 0.063 4.613 4.550 -0.000 0.000 0.270 453 Y C 0.579 176.412 175.900 -0.112 0.000 1.134 453 Y CA 0.638 58.666 58.100 -0.120 0.000 1.293 453 Y CB 0.137 38.530 38.460 -0.111 0.000 1.063 453 Y HN 0.219 nan 8.280 nan 0.000 0.534 454 D N -0.049 120.323 120.400 -0.046 0.000 2.696 454 D HA 0.071 4.711 4.640 -0.000 0.000 0.269 454 D C 0.078 176.297 176.300 -0.135 0.000 1.319 454 D CA 0.240 54.189 54.000 -0.085 0.000 0.826 454 D CB -0.423 40.403 40.800 0.042 0.000 1.086 454 D HN 0.201 nan 8.370 nan 0.000 0.481 455 V N -2.531 117.257 119.914 -0.210 0.000 2.988 455 V HA 0.426 4.545 4.120 -0.000 0.000 0.356 455 V C 0.287 176.296 176.094 -0.141 0.000 1.380 455 V CA -0.886 61.288 62.300 -0.209 0.000 1.184 455 V CB -0.371 31.181 31.823 -0.452 0.000 1.204 455 V HN 0.029 nan 8.190 nan 0.000 0.530 456 K N 0.208 120.527 120.400 -0.135 0.000 3.339 456 K HA -0.142 4.178 4.320 -0.000 0.000 0.299 456 K C -0.263 176.292 176.600 -0.076 0.000 1.270 456 K CA 1.052 57.286 56.287 -0.090 0.000 0.875 456 K CB -1.899 30.575 32.500 -0.043 0.000 1.298 456 K HN 0.744 nan 8.250 nan 0.000 0.485 457 I N 1.707 122.208 120.570 -0.115 0.000 2.428 457 I HA 0.177 4.347 4.170 -0.000 0.000 0.279 457 I C 0.138 176.185 176.117 -0.117 0.000 1.040 457 I CA -0.948 60.303 61.300 -0.081 0.000 1.171 457 I CB 1.001 38.968 38.000 -0.055 0.000 1.312 457 I HN 0.054 nan 8.210 nan 0.000 0.470 458 N N 5.310 123.960 118.700 -0.084 0.000 2.415 458 N HA 0.045 4.784 4.740 -0.000 0.000 0.248 458 N C 0.405 175.836 175.510 -0.132 0.000 1.271 458 N CA 0.219 53.209 53.050 -0.100 0.000 0.913 458 N CB 0.397 38.908 38.487 0.039 0.000 1.129 458 N HN 0.501 nan 8.380 nan 0.000 0.444 459 E N -0.911 119.154 120.200 -0.224 0.000 2.476 459 E HA -0.277 4.073 4.350 -0.000 0.000 0.251 459 E C 0.533 176.995 176.600 -0.230 0.000 1.130 459 E CA 0.397 56.653 56.400 -0.241 0.000 0.736 459 E CB -1.497 28.114 29.700 -0.148 0.000 1.298 459 E HN 0.675 nan 8.360 nan 0.000 0.400 460 N N 0.290 118.857 118.700 -0.221 0.000 2.166 460 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 460 N C 1.875 177.283 175.510 -0.170 0.000 1.019 460 N CA 1.392 54.347 53.050 -0.158 0.000 0.856 460 N CB -0.160 38.258 38.487 -0.116 0.000 0.993 460 N HN 0.276 nan 8.380 nan 0.000 0.426 461 A N 1.548 124.190 122.820 -0.296 0.000 1.898 461 A HA 0.194 4.514 4.320 -0.000 0.000 0.216 461 A C 2.587 180.017 177.584 -0.256 0.000 1.181 461 A CA 1.673 53.524 52.037 -0.310 0.000 0.620 461 A CB -0.904 17.676 19.000 -0.699 0.000 0.819 461 A HN 0.449 nan 8.150 nan 0.000 0.442 462 A N 0.180 122.756 122.820 -0.408 0.000 1.883 462 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 462 A C 2.242 179.709 177.584 -0.195 0.000 1.186 462 A CA 1.670 53.409 52.037 -0.497 0.000 0.624 462 A CB -0.532 18.111 19.000 -0.595 0.000 0.822 462 A HN 0.570 nan 8.150 nan 0.000 0.444 463 R N -0.985 119.355 120.500 -0.267 0.000 2.083 463 R HA -0.102 4.238 4.340 -0.000 0.000 0.237 463 R C 2.312 178.237 176.300 -0.626 0.000 1.137 463 R CA 1.825 57.591 56.100 -0.557 0.000 0.951 463 R CB -1.014 28.892 30.300 -0.658 0.000 0.851 463 R HN 0.529 nan 8.270 nan 0.000 0.434 464 T N 1.941 116.359 114.554 -0.225 0.000 2.635 464 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 464 T C 1.947 176.802 174.700 0.259 0.000 1.040 464 T CA 1.379 63.550 62.100 0.118 0.000 1.156 464 T CB -0.264 68.768 68.868 0.274 0.000 0.863 464 T HN 0.128 nan 8.240 nan 0.000 0.430 465 L N 0.510 121.879 121.223 0.243 0.000 2.012 465 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 465 L C 2.709 179.836 176.870 0.429 0.000 1.073 465 L CA 1.558 56.625 54.840 0.379 0.000 0.748 465 L CB -0.547 41.746 42.059 0.390 0.000 0.891 465 L HN 0.325 nan 8.230 nan 0.000 0.431 466 E N -1.240 119.168 120.200 0.346 0.000 2.216 466 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 466 E C 2.138 178.952 176.600 0.357 0.000 0.988 466 E CA 0.567 57.195 56.400 0.380 0.000 0.834 466 E CB 0.029 29.940 29.700 0.352 0.000 0.772 466 E HN 0.387 nan 8.360 nan 0.000 0.479 467 Y N 0.835 121.212 120.300 0.128 0.000 2.181 467 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 467 Y C 2.393 178.381 175.900 0.145 0.000 1.146 467 Y CA 0.734 58.806 58.100 -0.047 0.000 1.164 467 Y CB -1.117 37.010 38.460 -0.555 0.000 0.982 467 Y HN 0.038 nan 8.280 nan 0.000 0.515 468 A N -0.345 122.784 122.820 0.516 0.000 1.851 468 A HA -0.293 4.027 4.320 -0.000 0.000 0.216 468 A C 2.195 179.959 177.584 0.299 0.000 1.195 468 A CA 1.858 54.223 52.037 0.547 0.000 0.622 468 A CB -1.635 17.781 19.000 0.693 0.000 0.831 468 A HN 0.527 nan 8.150 nan 0.000 0.444 469 Y N 1.353 121.757 120.300 0.173 0.000 2.207 469 Y HA -0.254 4.296 4.550 -0.000 0.000 0.287 469 Y C 1.767 177.625 175.900 -0.070 0.000 1.156 469 Y CA 2.088 60.085 58.100 -0.171 0.000 1.182 469 Y CB -0.303 38.281 38.460 0.207 0.000 0.979 469 Y HN 0.371 nan 8.280 nan 0.000 0.521 470 D N 0.195 120.523 120.400 -0.120 0.000 2.144 470 D HA -0.180 4.460 4.640 -0.000 0.000 0.199 470 D C 1.723 177.899 176.300 -0.206 0.000 0.984 470 D CA 1.604 55.453 54.000 -0.251 0.000 0.834 470 D CB -0.358 40.408 40.800 -0.057 0.000 0.955 470 D HN 0.484 nan 8.370 nan 0.000 0.465 471 D N -0.483 119.912 120.400 -0.008 0.000 2.144 471 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 471 D C 1.897 178.206 176.300 0.015 0.000 0.978 471 D CA 0.401 54.468 54.000 0.112 0.000 0.833 471 D CB -0.300 40.712 40.800 0.353 0.000 0.961 471 D HN 0.345 nan 8.370 nan 0.000 0.470 472 W N 1.476 122.585 121.300 -0.317 0.000 2.355 472 W HA -0.268 4.392 4.660 -0.000 0.000 0.309 472 W C 2.340 178.658 176.519 -0.335 0.000 1.206 472 W CA 1.297 58.390 57.345 -0.420 0.000 1.284 472 W CB -0.514 28.527 29.460 -0.698 0.000 1.145 472 W HN -0.049 nan 8.180 nan 0.000 0.502 473 C N 0.615 119.685 119.300 -0.384 0.000 2.393 473 C HA -0.263 4.197 4.460 -0.000 0.000 0.276 473 C C 2.689 177.328 174.990 -0.585 0.000 1.215 473 C CA 1.471 60.126 59.018 -0.605 0.000 1.743 473 C CB -1.594 25.826 27.740 -0.533 0.000 2.044 473 C HN 0.410 nan 8.230 nan 0.000 0.464 474 I N -0.298 119.966 120.570 -0.510 0.000 2.286 474 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 474 I C 2.444 178.243 176.117 -0.529 0.000 1.115 474 I CA 1.825 62.759 61.300 -0.610 0.000 1.392 474 I CB -0.533 36.920 38.000 -0.910 0.000 1.065 474 I HN 0.457 nan 8.210 nan 0.000 0.418 475 Y N 1.754 121.741 120.300 -0.522 0.000 2.165 475 Y HA -0.267 4.283 4.550 -0.000 0.000 0.286 475 Y C 2.643 178.278 175.900 -0.442 0.000 1.155 475 Y CA 1.484 59.369 58.100 -0.359 0.000 1.164 475 Y CB -0.151 38.117 38.460 -0.319 0.000 0.978 475 Y HN -0.041 nan 8.280 nan 0.000 0.513 476 R N 0.133 120.159 120.500 -0.790 0.000 2.073 476 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 476 R C 2.257 178.195 176.300 -0.603 0.000 1.134 476 R CA 1.544 57.142 56.100 -0.836 0.000 0.952 476 R CB -1.221 28.525 30.300 -0.925 0.000 0.850 476 R HN 0.447 nan 8.270 nan 0.000 0.433 477 L N 0.848 121.765 121.223 -0.509 0.000 2.056 477 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 477 L C 2.273 178.905 176.870 -0.397 0.000 1.078 477 L CA 1.875 56.458 54.840 -0.429 0.000 0.749 477 L CB -0.720 41.112 42.059 -0.378 0.000 0.901 477 L HN 0.142 nan 8.230 nan 0.000 0.433 478 A N -0.358 122.272 122.820 -0.316 0.000 1.908 478 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 478 A C 2.458 179.833 177.584 -0.348 0.000 1.181 478 A CA 2.180 54.044 52.037 -0.288 0.000 0.627 478 A CB -0.656 18.301 19.000 -0.072 0.000 0.818 478 A HN 0.534 nan 8.150 nan 0.000 0.445 479 K N -0.340 119.802 120.400 -0.430 0.000 2.025 479 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 479 K C 2.029 178.456 176.600 -0.289 0.000 1.049 479 K CA 1.754 57.812 56.287 -0.381 0.000 0.933 479 K CB -0.195 31.971 32.500 -0.558 0.000 0.714 479 K HN 0.381 nan 8.250 nan 0.000 0.438 480 E N 0.556 120.571 120.200 -0.307 0.000 2.118 480 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 480 E C 1.235 177.711 176.600 -0.207 0.000 0.992 480 E CA 1.129 57.400 56.400 -0.215 0.000 0.804 480 E CB -0.059 29.523 29.700 -0.197 0.000 0.741 480 E HN 0.271 nan 8.360 nan 0.000 0.458 481 L N 0.811 121.854 121.223 -0.300 0.000 2.627 481 L HA 0.212 4.552 4.340 -0.000 0.000 0.232 481 L C 0.720 177.438 176.870 -0.254 0.000 1.150 481 L CA 1.031 55.686 54.840 -0.308 0.000 0.917 481 L CB -1.223 40.554 42.059 -0.469 0.000 1.104 481 L HN 0.224 nan 8.230 nan 0.000 0.445 482 K N 0.387 120.665 120.400 -0.204 0.000 3.689 482 K HA -0.229 4.091 4.320 -0.000 0.000 0.276 482 K C 0.566 177.068 176.600 -0.163 0.000 0.932 482 K CA 1.015 57.212 56.287 -0.152 0.000 0.758 482 K CB -2.465 29.969 32.500 -0.109 0.000 1.500 482 K HN 0.273 nan 8.250 nan 0.000 0.448 483 R N -0.634 119.754 120.500 -0.187 0.000 2.541 483 R HA 0.509 4.849 4.340 -0.000 0.000 0.263 483 R C -2.128 174.125 176.300 -0.078 0.000 1.112 483 R CA -2.233 53.767 56.100 -0.167 0.000 1.170 483 R CB -0.199 29.982 30.300 -0.197 0.000 1.167 483 R HN 0.416 nan 8.270 nan 0.000 0.582 484 P HA 0.067 nan 4.420 nan 0.000 0.265 484 P C 0.529 177.839 177.300 0.016 0.000 1.193 484 P CA 0.347 63.442 63.100 -0.008 0.000 0.765 484 P CB 0.356 32.061 31.700 0.009 0.000 0.823 485 K N 3.886 124.297 120.400 0.017 0.000 2.127 485 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 485 K C 1.916 178.549 176.600 0.055 0.000 1.047 485 K CA 2.082 58.391 56.287 0.037 0.000 0.927 485 K CB -1.231 31.287 32.500 0.030 0.000 0.716 485 K HN 0.479 nan 8.250 nan 0.000 0.450 486 K N -0.031 120.394 120.400 0.041 0.000 2.057 486 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 486 K C 2.254 178.886 176.600 0.052 0.000 1.049 486 K CA 1.769 58.078 56.287 0.036 0.000 0.931 486 K CB -0.054 32.458 32.500 0.020 0.000 0.714 486 K HN 0.670 nan 8.250 nan 0.000 0.440 487 E N 0.283 120.536 120.200 0.089 0.000 2.072 487 E HA -0.137 4.213 4.350 -0.000 0.000 0.190 487 E C 2.107 178.878 176.600 0.285 0.000 0.982 487 E CA 0.903 57.408 56.400 0.176 0.000 0.803 487 E CB -0.039 29.803 29.700 0.237 0.000 0.755 487 E HN 0.306 nan 8.360 nan 0.000 0.453 488 I N 1.099 121.796 120.570 0.213 0.000 2.208 488 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 488 I C 2.432 178.750 176.117 0.336 0.000 1.097 488 I CA 0.879 62.335 61.300 0.260 0.000 1.363 488 I CB -0.200 37.879 38.000 0.131 0.000 1.051 488 I HN -0.010 nan 8.210 nan 0.000 0.413 489 S N 0.747 116.571 115.700 0.206 0.000 2.382 489 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 489 S C 1.899 176.559 174.600 0.100 0.000 1.027 489 S CA 1.201 59.495 58.200 0.156 0.000 0.991 489 S CB -0.400 62.852 63.200 0.087 0.000 0.823 489 S HN 0.301 nan 8.310 nan 0.000 0.469 490 L N 0.857 122.091 121.223 0.018 0.000 2.012 490 L HA -0.021 4.319 4.340 -0.000 0.000 0.210 490 L C 1.724 178.472 176.870 -0.202 0.000 1.073 490 L CA 1.884 56.621 54.840 -0.172 0.000 0.748 490 L CB -0.821 41.010 42.059 -0.381 0.000 0.891 490 L HN 0.230 nan 8.230 nan 0.000 0.431 491 F N -0.541 119.479 119.950 0.118 0.000 2.293 491 F HA 0.096 4.623 4.527 -0.000 0.000 0.297 491 F C 2.456 178.317 175.800 0.101 0.000 1.089 491 F CA 0.843 58.912 58.000 0.114 0.000 1.377 491 F CB -1.150 37.914 39.000 0.107 0.000 1.051 491 F HN 0.151 nan 8.300 nan 0.000 0.511 492 A N 0.248 123.231 122.820 0.272 0.000 1.908 492 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 492 A C 2.359 180.096 177.584 0.254 0.000 1.181 492 A CA 1.900 54.014 52.037 0.130 0.000 0.627 492 A CB -0.697 18.415 19.000 0.187 0.000 0.818 492 A HN 0.306 nan 8.150 nan 0.000 0.445 493 K N -0.242 120.250 120.400 0.153 0.000 1.985 493 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 493 K C 2.218 178.888 176.600 0.116 0.000 1.047 493 K CA 1.544 57.889 56.287 0.097 0.000 0.932 493 K CB -0.276 32.235 32.500 0.018 0.000 0.716 493 K HN 0.458 nan 8.250 nan 0.000 0.439 494 R N 0.095 120.658 120.500 0.104 0.000 2.152 494 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 494 R C 2.330 178.809 176.300 0.297 0.000 1.117 494 R CA 1.003 57.191 56.100 0.148 0.000 0.981 494 R CB -0.362 30.045 30.300 0.179 0.000 0.870 494 R HN 0.286 nan 8.270 nan 0.000 0.451 495 A N 0.827 123.842 122.820 0.326 0.000 2.024 495 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 495 A C 1.832 179.792 177.584 0.627 0.000 1.164 495 A CA 1.221 53.514 52.037 0.425 0.000 0.643 495 A CB -0.143 19.045 19.000 0.314 0.000 0.806 495 A HN 0.128 nan 8.150 nan 0.000 0.451 496 M N -0.073 119.771 119.600 0.408 0.000 2.431 496 M HA 0.103 4.583 4.480 -0.000 0.000 0.237 496 M C 0.707 176.945 176.300 -0.104 0.000 1.130 496 M CA 0.165 55.563 55.300 0.163 0.000 1.002 496 M CB -0.884 31.747 32.600 0.050 0.000 1.524 496 M HN 0.286 nan 8.290 nan 0.000 0.482 497 N N 0.861 119.640 118.700 0.132 0.000 2.443 497 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 497 N C 1.436 177.027 175.510 0.136 0.000 1.037 497 N CA 1.019 54.131 53.050 0.103 0.000 0.896 497 N CB -0.341 38.252 38.487 0.177 0.000 0.959 497 N HN 0.619 nan 8.380 nan 0.000 0.442 498 Y N -0.084 120.375 120.300 0.264 0.000 2.497 498 Y HA 0.122 4.672 4.550 -0.000 0.000 0.292 498 Y C 1.730 177.725 175.900 0.159 0.000 1.137 498 Y CA 0.609 58.846 58.100 0.229 0.000 1.285 498 Y CB -0.384 38.214 38.460 0.229 0.000 0.991 498 Y HN -0.137 nan 8.280 nan 0.000 0.556 499 K N 0.653 120.696 120.400 -0.596 0.000 2.209 499 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 499 K C 1.317 177.891 176.600 -0.043 0.000 1.048 499 K CA 1.129 57.217 56.287 -0.332 0.000 0.940 499 K CB -0.200 32.042 32.500 -0.432 0.000 0.729 499 K HN 0.371 nan 8.250 nan 0.000 0.451 500 N N 0.768 119.436 118.700 -0.053 0.000 2.453 500 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 500 N C 1.132 176.548 175.510 -0.157 0.000 1.041 500 N CA 0.927 53.919 53.050 -0.098 0.000 0.900 500 N CB 0.160 38.603 38.487 -0.074 0.000 0.961 500 N HN 0.222 nan 8.380 nan 0.000 0.443 501 L N -0.783 120.465 121.223 0.042 0.000 2.808 501 L HA 0.262 4.602 4.340 -0.000 0.000 0.246 501 L C -0.107 176.943 176.870 0.301 0.000 1.153 501 L CA -0.355 54.550 54.840 0.109 0.000 0.956 501 L CB 0.126 42.243 42.059 0.095 0.000 1.270 501 L HN -0.060 nan 8.230 nan 0.000 0.528 502 F N 1.873 121.905 119.950 0.138 0.000 2.421 502 F HA 0.209 4.736 4.527 -0.000 0.000 0.358 502 F C 0.365 176.062 175.800 -0.172 0.000 1.115 502 F CA -0.826 57.170 58.000 -0.008 0.000 1.160 502 F CB 0.589 39.587 39.000 -0.004 0.000 1.123 502 F HN -0.088 nan 8.300 nan 0.000 0.508 503 D N 5.769 125.456 120.400 -1.188 0.000 2.396 503 D HA 0.165 4.805 4.640 -0.000 0.000 0.225 503 D C 0.764 176.343 176.300 -1.203 0.000 1.121 503 D CA -0.180 52.979 54.000 -1.403 0.000 0.853 503 D CB 1.093 40.934 40.800 -1.597 0.000 1.043 503 D HN 0.613 nan 8.370 nan 0.000 0.500 504 K N 2.363 122.361 120.400 -0.670 0.000 2.103 504 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 504 K C 1.572 177.982 176.600 -0.316 0.000 1.048 504 K CA 1.149 57.256 56.287 -0.301 0.000 0.930 504 K CB 0.172 32.648 32.500 -0.041 0.000 0.716 504 K HN 0.582 nan 8.250 nan 0.000 0.444 505 E N 0.615 120.590 120.200 -0.375 0.000 2.058 505 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 505 E C 1.719 178.155 176.600 -0.273 0.000 0.997 505 E CA 1.835 58.068 56.400 -0.278 0.000 0.801 505 E CB 0.056 29.586 29.700 -0.283 0.000 0.746 505 E HN 0.306 nan 8.360 nan 0.000 0.450 506 S N -0.850 114.609 115.700 -0.402 0.000 2.517 506 S HA 0.120 4.590 4.470 -0.000 0.000 0.214 506 S C 0.594 174.979 174.600 -0.358 0.000 0.991 506 S CA 0.250 58.261 58.200 -0.315 0.000 0.906 506 S CB 0.153 63.187 63.200 -0.277 0.000 0.789 506 S HN 0.305 nan 8.310 nan 0.000 0.513 507 K N 0.343 120.442 120.400 -0.501 0.000 3.230 507 K HA -0.109 4.211 4.320 -0.000 0.000 0.285 507 K C -0.813 175.487 176.600 -0.501 0.000 1.196 507 K CA 0.708 56.742 56.287 -0.420 0.000 0.838 507 K CB -2.052 30.402 32.500 -0.076 0.000 1.262 507 K HN 0.501 nan 8.250 nan 0.000 0.492 508 L N -0.138 120.643 121.223 -0.736 0.000 2.327 508 L HA 0.540 4.880 4.340 -0.000 0.000 0.258 508 L C 0.339 176.877 176.870 -0.554 0.000 1.024 508 L CA -1.448 53.035 54.840 -0.595 0.000 0.825 508 L CB 1.385 43.114 42.059 -0.551 0.000 1.386 508 L HN -0.100 nan 8.230 nan 0.000 0.417 509 M N 1.652 121.086 119.600 -0.277 0.000 2.242 509 M HA 0.381 4.860 4.480 -0.000 0.000 0.344 509 M C -0.342 175.976 176.300 0.030 0.000 1.140 509 M CA 0.252 55.521 55.300 -0.051 0.000 1.160 509 M CB 0.774 33.465 32.600 0.152 0.000 1.491 509 M HN 0.525 nan 8.290 nan 0.000 0.459 510 R N 0.225 120.733 120.500 0.013 0.000 2.566 510 R HA 0.508 4.848 4.340 -0.000 0.000 0.271 510 R C -0.379 175.897 176.300 -0.040 0.000 1.071 510 R CA -0.461 55.575 56.100 -0.105 0.000 0.915 510 R CB 1.416 31.262 30.300 -0.757 0.000 1.228 510 R HN 0.894 nan 8.270 nan 0.000 0.449 511 G N 2.670 111.372 108.800 -0.164 0.000 2.391 511 G HA2 0.039 3.998 3.960 -0.000 0.000 0.234 511 G HA3 0.039 3.998 3.960 -0.000 0.000 0.234 511 G C -0.683 174.062 174.900 -0.258 0.000 1.284 511 G CA -0.148 44.811 45.100 -0.235 0.000 0.873 511 G HN 0.568 nan 8.290 nan 0.000 0.549 512 R N 1.897 122.261 120.500 -0.226 0.000 2.451 512 R HA 0.152 4.492 4.340 -0.000 0.000 0.307 512 R C -0.208 176.063 176.300 -0.049 0.000 0.965 512 R CA -0.849 55.013 56.100 -0.396 0.000 0.865 512 R CB 0.627 30.360 30.300 -0.945 0.000 1.174 512 R HN 0.608 nan 8.270 nan 0.000 0.455 513 N N 2.170 120.834 118.700 -0.060 0.000 2.344 513 N HA -0.123 4.617 4.740 -0.000 0.000 0.236 513 N C 0.834 176.399 175.510 0.092 0.000 1.279 513 N CA 0.284 53.361 53.050 0.045 0.000 0.882 513 N CB 0.804 39.299 38.487 0.013 0.000 1.110 513 N HN 0.727 nan 8.380 nan 0.000 0.436 514 E N 0.629 120.848 120.200 0.032 0.000 2.209 514 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 514 E C 0.165 176.783 176.600 0.030 0.000 0.993 514 E CA 1.497 57.891 56.400 -0.011 0.000 0.819 514 E CB 0.053 29.715 29.700 -0.062 0.000 0.745 514 E HN 0.606 nan 8.360 nan 0.000 0.477 515 D N -1.435 118.980 120.400 0.025 0.000 2.328 515 D HA 0.092 4.732 4.640 -0.000 0.000 0.226 515 D C 1.269 177.577 176.300 0.012 0.000 1.066 515 D CA 0.661 54.671 54.000 0.015 0.000 0.861 515 D CB 0.395 41.196 40.800 0.003 0.000 0.912 515 D HN 0.318 nan 8.370 nan 0.000 0.521 516 G N -0.104 108.713 108.800 0.028 0.000 2.194 516 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.236 516 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.236 516 G C 0.475 175.256 174.900 -0.199 0.000 0.987 516 G CA 0.261 45.330 45.100 -0.051 0.000 0.635 516 G HN 0.747 nan 8.290 nan 0.000 0.520 517 T N -0.416 114.052 114.554 -0.144 0.000 2.889 517 T HA 0.648 4.998 4.350 -0.000 0.000 0.291 517 T C 0.338 174.899 174.700 -0.231 0.000 0.995 517 T CA -0.647 61.371 62.100 -0.137 0.000 1.092 517 T CB 1.504 70.342 68.868 -0.050 0.000 0.954 517 T HN 0.244 nan 8.240 nan 0.000 0.506 518 F N 2.334 122.173 119.950 -0.186 0.000 2.506 518 F HA 0.257 4.784 4.527 -0.000 0.000 0.351 518 F C 1.228 176.878 175.800 -0.251 0.000 1.136 518 F CA -0.356 57.486 58.000 -0.262 0.000 1.298 518 F CB 0.626 39.431 39.000 -0.325 0.000 1.145 518 F HN 0.663 nan 8.300 nan 0.000 0.593 519 Q N 1.342 121.045 119.800 -0.162 0.000 2.332 519 Q HA 0.419 4.759 4.340 -0.000 0.000 0.263 519 Q C -0.941 174.967 176.000 -0.153 0.000 0.979 519 Q CA -0.114 55.518 55.803 -0.284 0.000 0.885 519 Q CB 1.132 29.334 28.738 -0.893 0.000 1.218 519 Q HN 0.470 nan 8.270 nan 0.000 0.405 520 S N 2.908 118.562 115.700 -0.076 0.000 2.542 520 S HA 0.698 5.168 4.470 -0.000 0.000 0.293 520 S C -2.371 172.236 174.600 0.012 0.000 1.089 520 S CA -1.179 57.014 58.200 -0.011 0.000 0.961 520 S CB 1.257 64.455 63.200 -0.003 0.000 1.062 520 S HN 0.808 nan 8.310 nan 0.000 0.483 521 P HA 0.433 nan 4.420 nan 0.000 0.282 521 P C -1.344 176.003 177.300 0.079 0.000 1.249 521 P CA -0.446 62.681 63.100 0.044 0.000 0.806 521 P CB 0.439 32.157 31.700 0.030 0.000 0.984 522 F N 1.464 121.360 119.950 -0.090 0.000 2.410 522 F HA 0.444 4.971 4.527 -0.000 0.000 0.349 522 F C -0.051 175.705 175.800 -0.073 0.000 1.117 522 F CA -0.459 57.476 58.000 -0.108 0.000 1.104 522 F CB 1.237 40.142 39.000 -0.158 0.000 1.122 522 F HN 0.239 nan 8.300 nan 0.000 0.483 523 S N 7.860 123.169 115.700 -0.652 0.000 2.552 523 S HA 0.451 4.921 4.470 -0.000 0.000 0.314 523 S C -1.784 172.233 174.600 -0.971 0.000 1.099 523 S CA -1.635 56.156 58.200 -0.683 0.000 1.070 523 S CB 1.440 64.491 63.200 -0.248 0.000 0.998 523 S HN 0.547 nan 8.310 nan 0.000 0.474 524 P HA 0.002 nan 4.420 nan 0.000 0.226 524 P C 0.972 178.075 177.300 -0.328 0.000 1.153 524 P CA 0.673 63.294 63.100 -0.798 0.000 0.777 524 P CB 0.086 31.310 31.700 -0.794 0.000 0.794 525 L N -1.086 120.061 121.223 -0.126 0.000 2.558 525 L HA 0.129 4.469 4.340 -0.000 0.000 0.225 525 L C 1.491 178.480 176.870 0.197 0.000 1.128 525 L CA 0.088 54.990 54.840 0.103 0.000 0.868 525 L CB -0.439 41.712 42.059 0.152 0.000 1.006 525 L HN -0.097 nan 8.230 nan 0.000 0.454 526 K N 0.567 121.014 120.400 0.077 0.000 2.349 526 K HA 0.049 4.369 4.320 -0.000 0.000 0.288 526 K C -0.967 175.813 176.600 0.300 0.000 1.058 526 K CA -0.536 55.882 56.287 0.218 0.000 0.953 526 K CB 0.520 33.092 32.500 0.118 0.000 0.997 526 K HN -0.119 nan 8.250 nan 0.000 0.477 527 W N 3.141 124.556 121.300 0.193 0.000 2.303 527 W HA 0.352 5.012 4.660 -0.000 0.000 0.334 527 W C 1.061 177.688 176.519 0.181 0.000 1.197 527 W CA 1.212 58.718 57.345 0.268 0.000 1.262 527 W CB 0.645 30.339 29.460 0.390 0.000 1.153 527 W HN 0.997 nan 8.180 nan 0.000 0.596 528 G N 1.744 110.747 108.800 0.339 0.000 2.564 528 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.273 528 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.273 528 G C 0.479 174.995 174.900 -0.641 0.000 1.242 528 G CA 1.156 46.092 45.100 -0.273 0.000 0.951 528 G HN 0.821 nan 8.290 nan 0.000 0.564 529 D N -2.812 116.565 120.400 -1.706 0.000 4.555 529 D HA -0.199 4.441 4.640 -0.000 0.000 0.183 529 D C 2.098 178.094 176.300 -0.507 0.000 0.666 529 D CA 4.195 57.658 54.000 -0.895 0.000 1.462 529 D CB -1.584 39.044 40.800 -0.286 0.000 0.915 529 D HN 1.824 nan 8.370 nan 0.000 0.477 530 A N -0.583 122.044 122.820 -0.321 0.000 2.016 530 A HA 0.305 4.625 4.320 -0.000 0.000 0.217 530 A C 1.064 178.169 177.584 -0.797 0.000 1.162 530 A CA 1.137 52.867 52.037 -0.512 0.000 0.662 530 A CB -0.207 18.425 19.000 -0.613 0.000 0.812 530 A HN 0.238 nan 8.150 nan 0.000 0.450 531 F N -1.432 118.392 119.950 -0.211 0.000 2.613 531 F HA 0.542 5.069 4.527 -0.000 0.000 0.342 531 F C 0.376 176.082 175.800 -0.156 0.000 1.066 531 F CA -0.717 57.135 58.000 -0.247 0.000 1.002 531 F CB 1.267 40.191 39.000 -0.126 0.000 1.319 531 F HN -0.309 nan 8.300 nan 0.000 0.495 532 T N 0.786 115.472 114.554 0.221 0.000 2.797 532 T HA 0.260 4.610 4.350 -0.000 0.000 0.279 532 T C -0.310 174.654 174.700 0.439 0.000 0.991 532 T CA -0.608 61.658 62.100 0.277 0.000 0.979 532 T CB 1.259 70.274 68.868 0.245 0.000 0.943 532 T HN 0.554 nan 8.240 nan 0.000 0.444 533 E N 0.301 120.697 120.200 0.326 0.000 2.660 533 E HA -0.213 4.137 4.350 -0.000 0.000 0.260 533 E C 0.432 177.130 176.600 0.163 0.000 1.122 533 E CA 1.373 57.947 56.400 0.290 0.000 0.755 533 E CB -1.354 28.505 29.700 0.265 0.000 1.345 533 E HN 1.064 nan 8.360 nan 0.000 0.421 534 G N -0.373 108.456 108.800 0.050 0.000 2.348 534 G HA2 0.387 4.347 3.960 -0.000 0.000 0.296 534 G HA3 0.387 4.347 3.960 -0.000 0.000 0.296 534 G C -0.846 173.756 174.900 -0.495 0.000 1.258 534 G CA -0.101 44.673 45.100 -0.544 0.000 0.868 534 G HN 0.141 nan 8.290 nan 0.000 0.488 535 N N -1.745 116.511 118.700 -0.741 0.000 3.100 535 N HA 0.585 5.325 4.740 -0.000 0.000 0.344 535 N C 1.256 176.204 175.510 -0.937 0.000 1.413 535 N CA 0.334 52.986 53.050 -0.663 0.000 0.752 535 N CB 0.959 39.052 38.487 -0.657 0.000 1.519 535 N HN 0.556 nan 8.380 nan 0.000 0.620 536 S N -1.388 113.748 115.700 -0.940 0.000 2.368 536 S HA -0.071 4.399 4.470 -0.000 0.000 0.224 536 S C 1.119 175.285 174.600 -0.723 0.000 1.029 536 S CA 0.887 58.457 58.200 -1.050 0.000 0.988 536 S CB -0.647 62.264 63.200 -0.481 0.000 0.838 536 S HN 0.540 nan 8.310 nan 0.000 0.462 537 W N 1.008 121.970 121.300 -0.563 0.000 2.364 537 W HA -0.102 4.558 4.660 -0.000 0.000 0.281 537 W C 2.238 178.614 176.519 -0.239 0.000 1.219 537 W CA 1.349 58.461 57.345 -0.388 0.000 1.220 537 W CB -0.278 28.963 29.460 -0.365 0.000 1.127 537 W HN 0.596 nan 8.180 nan 0.000 0.556 538 H N -3.848 115.166 119.070 -0.094 0.000 2.399 538 H HA -0.041 4.515 4.556 -0.000 0.000 0.300 538 H C 1.364 176.611 175.328 -0.136 0.000 1.048 538 H CA 1.130 57.104 56.048 -0.123 0.000 1.370 538 H CB -0.319 29.261 29.762 -0.303 0.000 1.428 538 H HN 0.096 nan 8.280 nan 0.000 0.534 539 Y N 0.613 120.774 120.300 -0.233 0.000 2.517 539 Y HA -0.062 4.488 4.550 -0.000 0.000 0.281 539 Y C 2.218 177.982 175.900 -0.226 0.000 1.125 539 Y CA 0.406 58.414 58.100 -0.154 0.000 1.283 539 Y CB 0.458 38.842 38.460 -0.128 0.000 1.042 539 Y HN 0.104 nan 8.280 nan 0.000 0.547 540 T N -0.662 113.661 114.554 -0.385 0.000 2.849 540 T HA -0.244 4.106 4.350 -0.000 0.000 0.270 540 T C 0.909 175.246 174.700 -0.604 0.000 1.066 540 T CA 1.820 63.570 62.100 -0.583 0.000 1.130 540 T CB -0.422 67.870 68.868 -0.961 0.000 0.864 540 T HN 0.512 nan 8.240 nan 0.000 0.481 541 W N 1.245 122.489 121.300 -0.093 0.000 3.047 541 W HA 0.238 4.898 4.660 -0.000 0.000 0.250 541 W C 1.314 177.739 176.519 -0.158 0.000 1.314 541 W CA -0.475 56.789 57.345 -0.135 0.000 1.540 541 W CB -0.357 28.952 29.460 -0.252 0.000 1.127 541 W HN -0.050 nan 8.180 nan 0.000 0.679 542 S N 1.310 116.972 115.700 -0.063 0.000 3.870 542 S HA 0.149 4.619 4.470 -0.000 0.000 0.198 542 S C 0.271 174.613 174.600 -0.431 0.000 1.336 542 S CA 0.142 58.108 58.200 -0.391 0.000 1.049 542 S CB -0.623 62.639 63.200 0.104 0.000 1.412 542 S HN -0.043 nan 8.310 nan 0.000 0.448 543 V N 2.624 122.192 119.914 -0.575 0.000 2.326 543 V HA 0.230 4.350 4.120 -0.000 0.000 0.254 543 V C 0.445 176.178 176.094 -0.603 0.000 1.022 543 V CA -0.453 61.492 62.300 -0.591 0.000 1.074 543 V CB -0.696 30.691 31.823 -0.726 0.000 1.305 543 V HN 0.568 nan 8.190 nan 0.000 0.506 544 F N 0.770 120.519 119.950 -0.333 0.000 2.126 544 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 544 F C 2.540 178.160 175.800 -0.301 0.000 1.096 544 F CA 1.992 59.766 58.000 -0.377 0.000 1.255 544 F CB -0.530 38.097 39.000 -0.621 0.000 0.997 544 F HN 0.623 nan 8.300 nan 0.000 0.479 545 H N -1.980 116.995 119.070 -0.158 0.000 2.547 545 H HA 0.117 4.673 4.556 -0.000 0.000 0.266 545 H C -0.241 174.938 175.328 -0.248 0.000 0.988 545 H CA 1.012 56.743 56.048 -0.529 0.000 1.147 545 H CB -0.248 28.756 29.762 -1.264 0.000 1.365 545 H HN 0.217 nan 8.280 nan 0.000 0.589 546 D N 0.171 120.217 120.400 -0.590 0.000 3.118 546 D HA 0.197 4.837 4.640 -0.000 0.000 0.286 546 D C -2.148 173.906 176.300 -0.409 0.000 1.255 546 D CA -1.675 52.083 54.000 -0.403 0.000 0.748 546 D CB 0.948 41.535 40.800 -0.354 0.000 1.332 546 D HN 0.011 nan 8.370 nan 0.000 0.575 547 P HA -0.136 nan 4.420 nan 0.000 0.217 547 P C 1.432 178.545 177.300 -0.312 0.000 1.150 547 P CA 0.927 63.766 63.100 -0.435 0.000 0.832 547 P CB 0.493 31.682 31.700 -0.852 0.000 0.787 548 Q N 0.179 119.855 119.800 -0.208 0.000 2.096 548 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 548 Q C 2.162 178.072 176.000 -0.149 0.000 0.982 548 Q CA 2.361 58.065 55.803 -0.164 0.000 0.850 548 Q CB -1.571 27.104 28.738 -0.105 0.000 0.901 548 Q HN 0.187 nan 8.270 nan 0.000 0.422 549 G N 0.270 108.997 108.800 -0.121 0.000 2.422 549 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.218 549 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.218 549 G C 1.302 176.173 174.900 -0.049 0.000 1.146 549 G CA 0.898 45.980 45.100 -0.031 0.000 0.769 549 G HN 0.408 nan 8.290 nan 0.000 0.547 550 L N 0.885 122.040 121.223 -0.113 0.000 2.056 550 L HA 0.125 4.465 4.340 -0.000 0.000 0.207 550 L C 2.702 179.560 176.870 -0.020 0.000 1.078 550 L CA 1.195 55.989 54.840 -0.076 0.000 0.749 550 L CB -0.396 41.663 42.059 -0.001 0.000 0.901 550 L HN 0.272 nan 8.230 nan 0.000 0.433 551 I N -0.551 119.956 120.570 -0.106 0.000 2.226 551 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 551 I C 1.954 178.036 176.117 -0.058 0.000 1.100 551 I CA 1.231 62.461 61.300 -0.117 0.000 1.374 551 I CB -0.618 37.153 38.000 -0.382 0.000 1.057 551 I HN 0.272 nan 8.210 nan 0.000 0.413 552 D N 1.114 121.453 120.400 -0.101 0.000 2.097 552 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 552 D C 2.398 178.617 176.300 -0.134 0.000 0.984 552 D CA 1.062 55.008 54.000 -0.091 0.000 0.826 552 D CB -0.403 40.343 40.800 -0.089 0.000 0.973 552 D HN 0.253 nan 8.370 nan 0.000 0.460 553 L N 0.146 121.211 121.223 -0.263 0.000 2.051 553 L HA -0.195 4.145 4.340 -0.000 0.000 0.214 553 L C 2.337 178.955 176.870 -0.420 0.000 1.076 553 L CA 1.132 55.622 54.840 -0.584 0.000 0.758 553 L CB -0.300 41.041 42.059 -1.197 0.000 0.890 553 L HN 0.080 nan 8.230 nan 0.000 0.433 554 M N -1.293 118.217 119.600 -0.150 0.000 2.561 554 M HA 0.098 4.578 4.480 -0.000 0.000 0.238 554 M C 1.173 177.555 176.300 0.137 0.000 1.131 554 M CA 0.792 56.181 55.300 0.148 0.000 1.046 554 M CB 0.318 33.070 32.600 0.253 0.000 1.532 554 M HN 0.454 nan 8.290 nan 0.000 0.497 555 G N 0.995 109.834 108.800 0.065 0.000 2.131 555 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.223 555 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.223 555 G C 0.327 175.269 174.900 0.069 0.000 0.990 555 G CA -0.072 45.066 45.100 0.063 0.000 0.671 555 G HN 0.908 nan 8.290 nan 0.000 0.521 556 G N -0.736 108.105 108.800 0.069 0.000 2.555 556 G HA2 0.329 4.289 3.960 -0.000 0.000 0.686 556 G HA3 0.329 4.289 3.960 -0.000 0.000 0.686 556 G C 0.685 175.651 174.900 0.110 0.000 1.275 556 G CA 0.457 45.593 45.100 0.060 0.000 0.871 556 G HN 1.398 nan 8.290 nan 0.000 0.603 557 K N -0.192 120.252 120.400 0.074 0.000 2.147 557 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 557 K C 1.762 178.480 176.600 0.197 0.000 1.049 557 K CA 2.272 58.620 56.287 0.103 0.000 0.936 557 K CB -0.078 32.450 32.500 0.046 0.000 0.722 557 K HN 0.451 nan 8.250 nan 0.000 0.446 558 E N 1.319 121.614 120.200 0.158 0.000 2.051 558 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 558 E C 2.102 178.816 176.600 0.191 0.000 0.991 558 E CA 1.760 58.257 56.400 0.163 0.000 0.799 558 E CB -0.280 29.494 29.700 0.123 0.000 0.748 558 E HN 0.343 nan 8.360 nan 0.000 0.449 559 M N -0.615 119.099 119.600 0.190 0.000 2.254 559 M HA 0.002 4.482 4.480 -0.000 0.000 0.265 559 M C 1.924 178.377 176.300 0.256 0.000 1.066 559 M CA 0.872 56.288 55.300 0.193 0.000 1.123 559 M CB -0.161 32.536 32.600 0.161 0.000 1.388 559 M HN 0.089 nan 8.290 nan 0.000 0.425 560 F N 0.908 120.942 119.950 0.139 0.000 2.102 560 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 560 F C 2.023 177.936 175.800 0.189 0.000 1.105 560 F CA 1.482 59.588 58.000 0.177 0.000 1.239 560 F CB -0.255 38.825 39.000 0.134 0.000 0.991 560 F HN -0.220 nan 8.300 nan 0.000 0.474 561 V N -0.242 119.916 119.914 0.407 0.000 2.594 561 V HA -0.283 3.837 4.120 -0.000 0.000 0.253 561 V C 2.261 178.489 176.094 0.223 0.000 1.069 561 V CA 2.243 64.733 62.300 0.315 0.000 1.082 561 V CB -1.018 31.004 31.823 0.331 0.000 0.680 561 V HN 0.448 nan 8.190 nan 0.000 0.469 562 T N -0.281 114.391 114.554 0.198 0.000 2.737 562 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 562 T C 2.004 176.806 174.700 0.170 0.000 1.038 562 T CA 1.415 63.617 62.100 0.171 0.000 1.144 562 T CB -0.250 68.711 68.868 0.155 0.000 0.866 562 T HN 0.192 nan 8.240 nan 0.000 0.434 563 M N 0.611 120.323 119.600 0.186 0.000 2.080 563 M HA 0.005 4.485 4.480 -0.000 0.000 0.260 563 M C 2.376 178.843 176.300 0.279 0.000 1.068 563 M CA 1.571 57.044 55.300 0.289 0.000 1.109 563 M CB -1.068 31.699 32.600 0.278 0.000 1.342 563 M HN 0.301 nan 8.290 nan 0.000 0.405 564 M N -0.302 119.315 119.600 0.027 0.000 2.132 564 M HA -0.213 4.267 4.480 -0.000 0.000 0.263 564 M C 1.518 177.774 176.300 -0.074 0.000 1.065 564 M CA 1.512 56.610 55.300 -0.336 0.000 1.122 564 M CB -0.629 31.503 32.600 -0.780 0.000 1.365 564 M HN 0.159 nan 8.290 nan 0.000 0.411 565 D N 0.258 120.748 120.400 0.151 0.000 2.178 565 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 565 D C 2.038 178.411 176.300 0.120 0.000 0.980 565 D CA 1.660 55.811 54.000 0.253 0.000 0.842 565 D CB -0.147 40.798 40.800 0.241 0.000 0.948 565 D HN 0.358 nan 8.370 nan 0.000 0.472 566 S N -0.316 115.396 115.700 0.020 0.000 2.453 566 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 566 S C 2.262 176.619 174.600 -0.406 0.000 1.005 566 S CA 0.294 58.423 58.200 -0.118 0.000 0.949 566 S CB -0.437 62.725 63.200 -0.064 0.000 0.774 566 S HN 0.064 nan 8.310 nan 0.000 0.510 567 V N 1.479 121.093 119.914 -0.499 0.000 2.250 567 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 567 V C 2.125 177.857 176.094 -0.605 0.000 1.060 567 V CA 2.088 63.970 62.300 -0.697 0.000 1.030 567 V CB -1.128 30.323 31.823 -0.621 0.000 0.643 567 V HN 0.481 nan 8.190 nan 0.000 0.445 568 F N 0.314 120.052 119.950 -0.353 0.000 2.365 568 F HA 0.054 4.581 4.527 -0.000 0.000 0.300 568 F C 2.176 177.871 175.800 -0.175 0.000 1.090 568 F CA 1.102 58.896 58.000 -0.343 0.000 1.408 568 F CB -0.565 38.058 39.000 -0.628 0.000 1.060 568 F HN 0.132 nan 8.300 nan 0.000 0.534 569 A N -0.212 122.598 122.820 -0.017 0.000 2.252 569 A HA 0.279 4.599 4.320 -0.000 0.000 0.213 569 A C 0.629 178.173 177.584 -0.067 0.000 1.188 569 A CA 0.304 52.342 52.037 0.002 0.000 0.863 569 A CB -0.628 18.392 19.000 0.033 0.000 0.893 569 A HN 0.035 nan 8.150 nan 0.000 0.495 570 V N -1.397 118.405 119.914 -0.188 0.000 2.461 570 V HA 0.510 4.630 4.120 -0.000 0.000 0.275 570 V C -3.058 172.967 176.094 -0.115 0.000 1.047 570 V CA -2.669 59.520 62.300 -0.185 0.000 0.955 570 V CB 0.758 32.371 31.823 -0.349 0.000 0.988 570 V HN 0.084 nan 8.190 nan 0.000 0.471 571 P HA 0.205 nan 4.420 nan 0.000 0.266 571 P C -2.430 174.889 177.300 0.033 0.000 1.195 571 P CA -1.206 61.897 63.100 0.005 0.000 0.768 571 P CB -0.071 31.638 31.700 0.014 0.000 0.838 572 P HA 0.093 nan 4.420 nan 0.000 0.225 572 P C -0.175 177.264 177.300 0.232 0.000 1.768 572 P CA 0.209 63.407 63.100 0.163 0.000 0.943 572 P CB -0.215 31.584 31.700 0.165 0.000 1.936 573 I N 2.364 123.022 120.570 0.147 0.000 2.696 573 I HA 0.217 4.387 4.170 -0.000 0.000 0.284 573 I C 0.828 177.065 176.117 0.201 0.000 1.129 573 I CA 0.063 61.401 61.300 0.063 0.000 1.410 573 I CB -0.202 37.803 38.000 0.009 0.000 1.399 573 I HN 0.119 nan 8.210 nan 0.000 0.579 574 F N 2.300 122.298 119.950 0.080 0.000 2.668 574 F HA 0.540 5.067 4.527 -0.000 0.000 0.309 574 F C -1.144 174.710 175.800 0.090 0.000 1.117 574 F CA -1.350 56.726 58.000 0.126 0.000 0.951 574 F CB 1.194 40.202 39.000 0.014 0.000 1.323 574 F HN 0.278 nan 8.300 nan 0.000 0.451 575 D N 1.357 121.987 120.400 0.384 0.000 2.408 575 D HA 0.263 4.903 4.640 -0.000 0.000 0.243 575 D C -0.522 176.018 176.300 0.399 0.000 1.075 575 D CA -0.445 53.721 54.000 0.276 0.000 0.832 575 D CB 1.465 42.375 40.800 0.184 0.000 1.162 575 D HN 0.693 nan 8.370 nan 0.000 0.515 576 D N 1.234 121.854 120.400 0.368 0.000 2.402 576 D HA -0.032 4.608 4.640 -0.000 0.000 0.216 576 D C 1.288 177.764 176.300 0.294 0.000 1.128 576 D CA -0.009 54.208 54.000 0.361 0.000 0.833 576 D CB -0.072 40.890 40.800 0.270 0.000 0.971 576 D HN 0.214 nan 8.370 nan 0.000 0.503 577 S N 0.088 115.918 115.700 0.216 0.000 2.380 577 S HA -0.356 4.114 4.470 -0.000 0.000 0.229 577 S C 1.961 176.625 174.600 0.106 0.000 1.043 577 S CA 0.913 59.197 58.200 0.141 0.000 1.038 577 S CB -1.277 61.992 63.200 0.114 0.000 0.872 577 S HN 0.406 nan 8.310 nan 0.000 0.456 578 Y N 1.515 121.783 120.300 -0.054 0.000 2.384 578 Y HA -0.150 4.400 4.550 -0.000 0.000 0.289 578 Y C 1.532 177.210 175.900 -0.370 0.000 1.152 578 Y CA 1.280 59.226 58.100 -0.257 0.000 1.258 578 Y CB -0.298 37.924 38.460 -0.397 0.000 0.979 578 Y HN 0.341 nan 8.280 nan 0.000 0.549 579 Y N -1.658 118.671 120.300 0.048 0.000 2.558 579 Y HA 0.324 4.874 4.550 -0.000 0.000 0.273 579 Y C 2.110 177.990 175.900 -0.033 0.000 1.100 579 Y CA 0.349 58.424 58.100 -0.043 0.000 1.276 579 Y CB 0.008 38.481 38.460 0.021 0.000 1.196 579 Y HN -0.014 nan 8.280 nan 0.000 0.527 580 G N 0.704 109.593 108.800 0.148 0.000 2.141 580 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.242 580 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.242 580 G C -0.082 174.880 174.900 0.104 0.000 0.982 580 G CA 0.360 45.516 45.100 0.093 0.000 0.662 580 G HN 0.510 nan 8.290 nan 0.000 0.527 581 Q N -2.124 117.753 119.800 0.128 0.000 2.721 581 Q HA 0.509 4.849 4.340 -0.000 0.000 0.282 581 Q C -0.915 175.100 176.000 0.025 0.000 0.932 581 Q CA -0.993 54.863 55.803 0.089 0.000 0.816 581 Q CB 1.072 29.872 28.738 0.102 0.000 1.506 581 Q HN 0.497 nan 8.270 nan 0.000 0.399 582 V N 3.639 123.543 119.914 -0.015 0.000 2.302 582 V HA 0.116 4.236 4.120 -0.000 0.000 0.244 582 V C 0.846 176.785 176.094 -0.259 0.000 1.160 582 V CA -0.089 62.108 62.300 -0.172 0.000 1.127 582 V CB -1.501 30.261 31.823 -0.100 0.000 1.253 582 V HN 0.626 nan 8.190 nan 0.000 0.496 583 I N 1.216 121.544 120.570 -0.403 0.000 2.993 583 I HA 0.153 4.323 4.170 -0.000 0.000 0.286 583 I C 1.803 177.625 176.117 -0.492 0.000 1.215 583 I CA -0.164 60.852 61.300 -0.473 0.000 1.393 583 I CB 0.243 37.818 38.000 -0.708 0.000 1.371 583 I HN 0.723 nan 8.210 nan 0.000 0.602 584 H N 1.561 120.397 119.070 -0.390 0.000 2.387 584 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 584 H C 1.517 176.691 175.328 -0.257 0.000 1.099 584 H CA 1.712 57.596 56.048 -0.272 0.000 1.315 584 H CB -0.446 29.212 29.762 -0.172 0.000 1.380 584 H HN 0.750 nan 8.280 nan 0.000 0.513 585 E N 0.889 120.637 120.200 -0.753 0.000 2.070 585 E HA -0.125 4.225 4.350 -0.000 0.000 0.197 585 E C 2.171 178.520 176.600 -0.417 0.000 1.004 585 E CA 1.771 57.915 56.400 -0.427 0.000 0.805 585 E CB -0.161 29.354 29.700 -0.309 0.000 0.744 585 E HN 0.595 nan 8.360 nan 0.000 0.451 586 I N 0.170 120.222 120.570 -0.865 0.000 2.179 586 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 586 I C 2.482 178.230 176.117 -0.615 0.000 1.088 586 I CA 0.976 61.573 61.300 -1.173 0.000 1.357 586 I CB -0.165 36.828 38.000 -1.678 0.000 1.051 586 I HN 0.014 nan 8.210 nan 0.000 0.409 587 R N 1.467 121.699 120.500 -0.446 0.000 2.091 587 R HA -0.208 4.131 4.340 -0.000 0.000 0.238 587 R C 2.008 178.238 176.300 -0.117 0.000 1.136 587 R CA 1.755 57.723 56.100 -0.220 0.000 0.959 587 R CB -0.366 29.856 30.300 -0.131 0.000 0.856 587 R HN 0.387 nan 8.270 nan 0.000 0.437 588 E N -0.401 119.741 120.200 -0.098 0.000 2.077 588 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 588 E C 1.956 178.545 176.600 -0.018 0.000 0.989 588 E CA 1.674 58.057 56.400 -0.027 0.000 0.800 588 E CB -0.255 29.449 29.700 0.007 0.000 0.746 588 E HN 0.377 nan 8.360 nan 0.000 0.452 589 M N 1.017 120.604 119.600 -0.022 0.000 2.108 589 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 589 M C 2.385 178.712 176.300 0.045 0.000 1.066 589 M CA 2.208 57.529 55.300 0.034 0.000 1.107 589 M CB -0.363 32.330 32.600 0.155 0.000 1.356 589 M HN 0.232 nan 8.290 nan 0.000 0.406 590 T N -1.394 113.169 114.554 0.015 0.000 2.777 590 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 590 T C 1.600 176.331 174.700 0.050 0.000 1.040 590 T CA 1.540 63.673 62.100 0.055 0.000 1.141 590 T CB -1.512 67.394 68.868 0.064 0.000 0.868 590 T HN 0.463 nan 8.240 nan 0.000 0.444 591 V N -1.053 118.879 119.914 0.030 0.000 2.970 591 V HA 0.103 4.223 4.120 -0.000 0.000 0.260 591 V C 2.308 178.428 176.094 0.044 0.000 1.100 591 V CA 0.889 63.209 62.300 0.034 0.000 1.122 591 V CB -1.086 30.751 31.823 0.024 0.000 0.721 591 V HN 0.258 nan 8.190 nan 0.000 0.483 592 M N 0.480 120.111 119.600 0.052 0.000 2.506 592 M HA 0.155 4.635 4.480 -0.000 0.000 0.260 592 M C 1.277 177.628 176.300 0.085 0.000 1.104 592 M CA 0.484 55.824 55.300 0.066 0.000 1.112 592 M CB -1.915 30.730 32.600 0.075 0.000 1.401 592 M HN 0.781 nan 8.290 nan 0.000 0.473 593 N N 0.970 119.721 118.700 0.085 0.000 2.735 593 N HA -0.183 4.557 4.740 -0.000 0.000 0.248 593 N C -0.473 175.116 175.510 0.132 0.000 1.083 593 N CA 0.142 53.249 53.050 0.095 0.000 0.703 593 N CB -0.450 38.087 38.487 0.083 0.000 1.005 593 N HN 0.368 nan 8.380 nan 0.000 0.550 594 M N 0.399 120.089 119.600 0.149 0.000 2.959 594 M HA 0.197 4.677 4.480 -0.000 0.000 0.337 594 M C 1.310 177.693 176.300 0.138 0.000 1.220 594 M CA 0.392 55.818 55.300 0.209 0.000 0.893 594 M CB 0.732 33.504 32.600 0.287 0.000 1.322 594 M HN 0.392 nan 8.290 nan 0.000 0.519 595 G N 1.900 110.750 108.800 0.084 0.000 2.622 595 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.307 595 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.307 595 G C 0.484 175.380 174.900 -0.007 0.000 1.226 595 G CA 0.476 45.578 45.100 0.003 0.000 0.997 595 G HN 0.607 nan 8.290 nan 0.000 0.551 596 N N -0.054 118.582 118.700 -0.107 0.000 2.336 596 N HA 0.067 4.807 4.740 -0.000 0.000 0.189 596 N C 0.098 175.599 175.510 -0.015 0.000 1.113 596 N CA 0.017 53.060 53.050 -0.012 0.000 0.858 596 N CB 0.351 38.754 38.487 -0.140 0.000 0.970 596 N HN 0.433 nan 8.380 nan 0.000 0.471 597 Y N 2.155 122.289 120.300 -0.277 0.000 2.637 597 Y HA 0.222 4.772 4.550 -0.000 0.000 0.350 597 Y C -0.209 175.590 175.900 -0.167 0.000 1.069 597 Y CA -0.708 57.180 58.100 -0.354 0.000 1.397 597 Y CB 0.124 38.197 38.460 -0.645 0.000 1.163 597 Y HN -0.066 nan 8.280 nan 0.000 0.527 598 A N 6.440 128.834 122.820 -0.710 0.000 2.399 598 A HA 0.179 4.499 4.320 -0.000 0.000 0.327 598 A C 0.781 177.992 177.584 -0.621 0.000 1.367 598 A CA -0.552 51.205 52.037 -0.468 0.000 0.842 598 A CB -0.292 18.508 19.000 -0.333 0.000 1.142 598 A HN 1.025 nan 8.150 nan 0.000 0.495 599 H N 2.616 121.357 119.070 -0.548 0.000 2.489 599 H HA -0.151 4.405 4.556 -0.000 0.000 0.295 599 H C 1.879 176.984 175.328 -0.372 0.000 1.082 599 H CA 1.890 57.642 56.048 -0.494 0.000 1.295 599 H CB 0.363 29.993 29.762 -0.220 0.000 1.380 599 H HN 0.751 nan 8.280 nan 0.000 0.548 600 G N 0.455 109.067 108.800 -0.312 0.000 2.484 600 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 600 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 600 G C 0.991 175.750 174.900 -0.235 0.000 1.130 600 G CA -0.241 44.721 45.100 -0.229 0.000 0.784 600 G HN 0.290 nan 8.290 nan 0.000 0.543 601 N N 0.795 119.302 118.700 -0.320 0.000 2.416 601 N HA 0.045 4.785 4.740 -0.000 0.000 0.271 601 N C 1.285 176.613 175.510 -0.304 0.000 1.245 601 N CA -0.033 52.846 53.050 -0.285 0.000 0.940 601 N CB 0.915 39.107 38.487 -0.491 0.000 1.175 601 N HN 0.081 nan 8.380 nan 0.000 0.483 602 Q N 3.926 123.607 119.800 -0.198 0.000 2.112 602 Q HA -0.111 4.229 4.340 -0.000 0.000 0.206 602 Q C -0.906 174.892 176.000 -0.336 0.000 0.987 602 Q CA 2.093 57.701 55.803 -0.325 0.000 0.858 602 Q CB -0.668 27.753 28.738 -0.527 0.000 0.905 602 Q HN 0.605 nan 8.270 nan 0.000 0.420 603 P HA -0.127 nan 4.420 nan 0.000 0.218 603 P C 0.836 178.041 177.300 -0.159 0.000 1.149 603 P CA 1.044 63.938 63.100 -0.345 0.000 0.817 603 P CB 0.058 31.300 31.700 -0.763 0.000 0.785 604 I N -1.054 119.359 120.570 -0.262 0.000 3.684 604 I HA -0.070 4.100 4.170 -0.000 0.000 0.304 604 I C 1.862 177.822 176.117 -0.262 0.000 1.278 604 I CA 0.513 61.636 61.300 -0.295 0.000 1.272 604 I CB -0.142 37.609 38.000 -0.416 0.000 1.029 604 I HN -0.083 nan 8.210 nan 0.000 0.458 605 Q N -0.030 119.674 119.800 -0.159 0.000 2.226 605 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 605 Q C 1.819 177.954 176.000 0.225 0.000 0.975 605 Q CA 1.510 57.257 55.803 -0.093 0.000 0.866 605 Q CB -0.132 28.495 28.738 -0.186 0.000 0.915 605 Q HN 0.719 nan 8.270 nan 0.000 0.440 606 H N -0.593 118.584 119.070 0.179 0.000 2.512 606 H HA 0.055 4.611 4.556 -0.000 0.000 0.279 606 H C 1.875 177.346 175.328 0.238 0.000 0.999 606 H CA 0.487 56.674 56.048 0.232 0.000 1.283 606 H CB -0.401 29.553 29.762 0.321 0.000 1.421 606 H HN 0.196 nan 8.280 nan 0.000 0.554 607 M N 1.527 120.798 119.600 -0.549 0.000 2.089 607 M HA -0.199 4.281 4.480 -0.000 0.000 0.257 607 M C 1.961 178.086 176.300 -0.293 0.000 1.071 607 M CA 1.778 56.722 55.300 -0.593 0.000 1.096 607 M CB -0.338 31.818 32.600 -0.740 0.000 1.330 607 M HN 0.267 nan 8.290 nan 0.000 0.403 608 I N -0.578 119.944 120.570 -0.080 0.000 2.264 608 I HA -0.326 3.844 4.170 -0.000 0.000 0.248 608 I C 1.878 178.038 176.117 0.073 0.000 1.111 608 I CA 1.438 62.734 61.300 -0.008 0.000 1.382 608 I CB -0.736 37.298 38.000 0.057 0.000 1.060 608 I HN 0.293 nan 8.210 nan 0.000 0.418 609 Y N 0.573 120.975 120.300 0.171 0.000 2.569 609 Y HA -0.125 4.425 4.550 -0.000 0.000 0.293 609 Y C 2.229 178.328 175.900 0.331 0.000 1.144 609 Y CA 0.728 58.988 58.100 0.267 0.000 1.321 609 Y CB -0.416 38.230 38.460 0.310 0.000 0.982 609 Y HN 0.162 nan 8.280 nan 0.000 0.558 610 L N -1.779 119.625 121.223 0.301 0.000 2.376 610 L HA -0.196 4.144 4.340 -0.000 0.000 0.219 610 L C 1.627 178.683 176.870 0.309 0.000 1.133 610 L CA 0.685 55.700 54.840 0.291 0.000 0.816 610 L CB -0.569 41.558 42.059 0.113 0.000 0.933 610 L HN 0.256 nan 8.230 nan 0.000 0.449 611 Y N 0.708 121.143 120.300 0.224 0.000 2.207 611 Y HA -0.296 4.254 4.550 -0.000 0.000 0.287 611 Y C 2.337 178.296 175.900 0.099 0.000 1.156 611 Y CA 1.336 59.516 58.100 0.133 0.000 1.182 611 Y CB -0.517 37.948 38.460 0.009 0.000 0.979 611 Y HN 0.252 nan 8.280 nan 0.000 0.521 612 D N -0.964 119.622 120.400 0.310 0.000 2.106 612 D HA -0.235 4.405 4.640 -0.000 0.000 0.191 612 D C 1.952 178.324 176.300 0.119 0.000 0.997 612 D CA 1.749 55.855 54.000 0.176 0.000 0.834 612 D CB -0.855 40.044 40.800 0.164 0.000 0.956 612 D HN 0.368 nan 8.370 nan 0.000 0.448 613 Y N 0.535 120.879 120.300 0.074 0.000 2.465 613 Y HA -0.050 4.500 4.550 -0.000 0.000 0.289 613 Y C 2.102 177.943 175.900 -0.098 0.000 1.150 613 Y CA 0.946 59.034 58.100 -0.019 0.000 1.293 613 Y CB -0.314 38.097 38.460 -0.081 0.000 0.977 613 Y HN -0.040 nan 8.280 nan 0.000 0.556 614 A N -0.690 122.180 122.820 0.083 0.000 2.379 614 A HA 0.493 4.813 4.320 -0.000 0.000 0.236 614 A C 1.808 179.410 177.584 0.031 0.000 1.272 614 A CA 0.474 52.519 52.037 0.014 0.000 0.886 614 A CB -0.834 18.227 19.000 0.101 0.000 0.962 614 A HN 0.510 nan 8.150 nan 0.000 0.504 615 G N -0.436 108.375 108.800 0.018 0.000 2.176 615 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 615 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 615 G C -0.070 174.718 174.900 -0.186 0.000 1.024 615 G CA 0.423 45.528 45.100 0.009 0.000 0.755 615 G HN 0.648 nan 8.290 nan 0.000 0.507 616 Q N -0.902 118.637 119.800 -0.434 0.000 3.048 616 Q HA 0.195 4.535 4.340 -0.000 0.000 0.337 616 Q C -1.832 173.611 176.000 -0.928 0.000 0.845 616 Q CA -1.470 53.479 55.803 -1.423 0.000 0.942 616 Q CB 1.899 29.894 28.738 -1.239 0.000 1.454 616 Q HN 0.326 nan 8.270 nan 0.000 0.392 617 P HA -0.179 nan 4.420 nan 0.000 0.222 617 P C 0.745 178.076 177.300 0.051 0.000 1.147 617 P CA 0.996 64.087 63.100 -0.014 0.000 0.790 617 P CB -0.114 31.678 31.700 0.154 0.000 0.780 618 W N 1.355 122.721 121.300 0.110 0.000 2.374 618 W HA 0.043 4.703 4.660 -0.000 0.000 0.288 618 W C 1.769 178.381 176.519 0.156 0.000 1.218 618 W CA 0.753 58.188 57.345 0.150 0.000 1.245 618 W CB -1.504 27.951 29.460 -0.008 0.000 1.126 618 W HN -0.179 nan 8.180 nan 0.000 0.545 619 K N 0.850 121.033 120.400 -0.362 0.000 2.097 619 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 619 K C 2.454 178.929 176.600 -0.208 0.000 1.050 619 K CA 1.497 57.524 56.287 -0.433 0.000 0.938 619 K CB -0.575 31.234 32.500 -1.152 0.000 0.718 619 K HN 0.278 nan 8.250 nan 0.000 0.442 620 A N 1.561 124.339 122.820 -0.070 0.000 1.933 620 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 620 A C 2.070 179.678 177.584 0.040 0.000 1.175 620 A CA 1.354 53.452 52.037 0.101 0.000 0.628 620 A CB -0.403 18.659 19.000 0.104 0.000 0.814 620 A HN 0.296 nan 8.150 nan 0.000 0.444 621 Q N -2.100 117.766 119.800 0.110 0.000 2.079 621 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 621 Q C 1.972 177.949 176.000 -0.038 0.000 0.974 621 Q CA 1.824 57.694 55.803 0.111 0.000 0.840 621 Q CB -0.365 28.558 28.738 0.307 0.000 0.898 621 Q HN 0.850 nan 8.270 nan 0.000 0.430 622 Y N -0.738 119.493 120.300 -0.116 0.000 2.133 622 Y HA -0.255 4.295 4.550 -0.000 0.000 0.287 622 Y C 1.452 176.974 175.900 -0.629 0.000 1.134 622 Y CA 1.659 59.476 58.100 -0.472 0.000 1.133 622 Y CB -0.312 37.912 38.460 -0.393 0.000 0.987 622 Y HN 0.124 nan 8.280 nan 0.000 0.502 623 W N 0.084 121.209 121.300 -0.291 0.000 2.418 623 W HA -0.070 4.590 4.660 -0.000 0.000 0.292 623 W C 2.216 178.505 176.519 -0.382 0.000 1.213 623 W CA 0.776 57.859 57.345 -0.436 0.000 1.283 623 W CB -0.326 28.885 29.460 -0.415 0.000 1.119 623 W HN 0.055 nan 8.180 nan 0.000 0.542 624 L N 0.106 121.288 121.223 -0.068 0.000 2.046 624 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 624 L C 2.646 179.439 176.870 -0.128 0.000 1.077 624 L CA 1.242 56.052 54.840 -0.051 0.000 0.747 624 L CB -0.667 41.305 42.059 -0.144 0.000 0.896 624 L HN -0.092 nan 8.230 nan 0.000 0.432 625 R N -0.223 120.079 120.500 -0.331 0.000 2.075 625 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 625 R C 2.316 178.358 176.300 -0.431 0.000 1.126 625 R CA 1.246 57.092 56.100 -0.425 0.000 0.963 625 R CB -0.348 29.552 30.300 -0.666 0.000 0.858 625 R HN 0.249 nan 8.270 nan 0.000 0.435 626 Q N 0.028 119.484 119.800 -0.573 0.000 2.045 626 Q HA -0.151 4.189 4.340 -0.000 0.000 0.206 626 Q C 2.154 178.058 176.000 -0.159 0.000 0.991 626 Q CA 2.027 57.574 55.803 -0.426 0.000 0.851 626 Q CB -0.690 27.783 28.738 -0.443 0.000 0.911 626 Q HN 0.281 nan 8.270 nan 0.000 0.418 627 V N 0.991 120.856 119.914 -0.082 0.000 2.255 627 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 627 V C 2.444 178.614 176.094 0.128 0.000 1.051 627 V CA 1.980 64.269 62.300 -0.019 0.000 1.018 627 V CB -0.566 31.193 31.823 -0.107 0.000 0.641 627 V HN 0.352 nan 8.190 nan 0.000 0.445 628 M N -0.480 119.211 119.600 0.151 0.000 2.159 628 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 628 M C 1.878 178.294 176.300 0.193 0.000 1.063 628 M CA 1.788 57.220 55.300 0.220 0.000 1.110 628 M CB -0.504 32.078 32.600 -0.031 0.000 1.374 628 M HN 0.326 nan 8.290 nan 0.000 0.411 629 D N -0.385 120.029 120.400 0.024 0.000 2.194 629 D HA -0.046 4.594 4.640 -0.000 0.000 0.204 629 D C 1.951 178.267 176.300 0.027 0.000 0.964 629 D CA 1.112 55.105 54.000 -0.012 0.000 0.846 629 D CB 0.070 40.799 40.800 -0.118 0.000 0.962 629 D HN 0.329 nan 8.370 nan 0.000 0.490 630 R N -0.997 119.525 120.500 0.037 0.000 2.257 630 R HA 0.241 4.581 4.340 -0.000 0.000 0.195 630 R C 1.663 177.991 176.300 0.047 0.000 0.921 630 R CA 0.056 56.172 56.100 0.027 0.000 1.069 630 R CB 0.298 30.601 30.300 0.004 0.000 1.115 630 R HN 0.014 nan 8.270 nan 0.000 0.571 631 M N -0.140 119.508 119.600 0.080 0.000 2.541 631 M HA 0.150 4.630 4.480 -0.000 0.000 0.252 631 M C -0.506 175.703 176.300 -0.151 0.000 1.125 631 M CA 0.746 56.035 55.300 -0.019 0.000 1.091 631 M CB 0.160 32.716 32.600 -0.075 0.000 1.420 631 M HN -0.066 nan 8.290 nan 0.000 0.486 632 Y N 0.081 120.386 120.300 0.008 0.000 2.361 632 Y HA 0.465 5.015 4.550 -0.000 0.000 0.337 632 Y C 0.520 176.348 175.900 -0.121 0.000 0.965 632 Y CA -1.304 56.738 58.100 -0.097 0.000 1.091 632 Y CB 1.384 39.756 38.460 -0.147 0.000 1.182 632 Y HN -0.003 nan 8.280 nan 0.000 0.450 633 T N -0.502 114.023 114.554 -0.048 0.000 2.901 633 T HA 0.431 4.781 4.350 -0.000 0.000 0.293 633 T C -2.567 172.068 174.700 -0.107 0.000 1.084 633 T CA -2.434 59.633 62.100 -0.055 0.000 1.008 633 T CB 2.559 71.400 68.868 -0.046 0.000 1.170 633 T HN 0.291 nan 8.240 nan 0.000 0.509 634 P HA 0.205 nan 4.420 nan 0.000 0.249 634 P C 0.858 178.121 177.300 -0.062 0.000 1.229 634 P CA 0.072 63.135 63.100 -0.062 0.000 0.788 634 P CB -0.202 31.499 31.700 0.002 0.000 1.072 635 G N 1.500 110.253 108.800 -0.079 0.000 2.525 635 G HA2 0.252 4.212 3.960 -0.000 0.000 0.287 635 G HA3 0.252 4.212 3.960 -0.000 0.000 0.287 635 G C -1.674 173.144 174.900 -0.138 0.000 1.350 635 G CA -1.278 43.760 45.100 -0.103 0.000 1.039 635 G HN -0.132 nan 8.290 nan 0.000 0.513 636 P HA -0.030 nan 4.420 nan 0.000 0.219 636 P C 0.443 177.663 177.300 -0.133 0.000 1.146 636 P CA 1.267 64.188 63.100 -0.299 0.000 0.808 636 P CB 0.150 31.282 31.700 -0.947 0.000 0.779 637 D N -1.577 118.748 120.400 -0.125 0.000 3.058 637 D HA 0.143 4.783 4.640 -0.000 0.000 0.272 637 D C 1.405 177.683 176.300 -0.036 0.000 1.350 637 D CA -0.514 53.464 54.000 -0.037 0.000 0.863 637 D CB -0.839 39.939 40.800 -0.036 0.000 1.064 637 D HN 0.030 nan 8.370 nan 0.000 0.488 638 G N -0.367 108.395 108.800 -0.064 0.000 2.430 638 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.216 638 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.216 638 G C 0.240 174.975 174.900 -0.275 0.000 1.146 638 G CA 0.243 45.230 45.100 -0.189 0.000 0.793 638 G HN 0.257 nan 8.290 nan 0.000 0.537 639 Y N -0.758 119.514 120.300 -0.047 0.000 2.334 639 Y HA 0.311 4.861 4.550 -0.000 0.000 0.325 639 Y C 1.758 177.580 175.900 -0.130 0.000 1.308 639 Y CA -0.813 57.209 58.100 -0.131 0.000 1.389 639 Y CB 0.845 39.263 38.460 -0.070 0.000 1.328 639 Y HN 0.097 nan 8.280 nan 0.000 0.532 640 C N -1.643 117.645 119.300 -0.019 0.000 2.855 640 C HA 0.803 5.263 4.460 -0.000 0.000 0.279 640 C C 0.700 175.706 174.990 0.026 0.000 1.270 640 C CA 0.019 59.025 59.018 -0.021 0.000 1.702 640 C CB -1.398 26.303 27.740 -0.065 0.000 1.949 640 C HN 0.986 nan 8.230 nan 0.000 0.618 641 G N -0.337 108.503 108.800 0.067 0.000 2.320 641 G HA2 0.386 4.346 3.960 -0.000 0.000 0.296 641 G HA3 0.386 4.346 3.960 -0.000 0.000 0.296 641 G C -2.176 172.772 174.900 0.080 0.000 1.306 641 G CA -0.647 44.506 45.100 0.088 0.000 0.836 641 G HN 0.072 nan 8.290 nan 0.000 0.517 642 D N 0.263 120.737 120.400 0.124 0.000 2.548 642 D HA 0.138 4.778 4.640 -0.000 0.000 0.231 642 D C 1.260 177.523 176.300 -0.061 0.000 1.142 642 D CA 0.021 54.072 54.000 0.085 0.000 0.866 642 D CB 1.417 42.350 40.800 0.222 0.000 1.190 642 D HN 0.431 nan 8.370 nan 0.000 0.469 643 E N 1.213 121.286 120.200 -0.211 0.000 2.122 643 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 643 E C -0.426 176.088 176.600 -0.144 0.000 0.977 643 E CA 0.470 56.621 56.400 -0.415 0.000 0.820 643 E CB 0.153 29.433 29.700 -0.700 0.000 0.770 643 E HN 0.407 nan 8.360 nan 0.000 0.462 644 D N 0.693 121.065 120.400 -0.047 0.000 2.746 644 D HA -0.214 4.425 4.640 -0.000 0.000 0.241 644 D C -0.675 175.621 176.300 -0.005 0.000 1.140 644 D CA 1.001 55.030 54.000 0.049 0.000 0.707 644 D CB -1.999 38.882 40.800 0.136 0.000 1.034 644 D HN 0.434 nan 8.370 nan 0.000 0.423 645 N N -1.176 117.452 118.700 -0.121 0.000 2.708 645 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 645 N C 1.131 176.699 175.510 0.096 0.000 1.097 645 N CA 1.553 54.503 53.050 -0.167 0.000 0.710 645 N CB -1.047 37.224 38.487 -0.360 0.000 1.032 645 N HN 0.772 nan 8.380 nan 0.000 0.551 646 G N -1.311 107.540 108.800 0.084 0.000 2.316 646 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.203 646 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.203 646 G C 0.658 175.648 174.900 0.150 0.000 0.999 646 G CA 0.683 45.856 45.100 0.121 0.000 0.649 646 G HN 0.424 nan 8.290 nan 0.000 0.489 647 Q N 1.308 121.186 119.800 0.130 0.000 2.002 647 Q HA -0.017 4.323 4.340 -0.000 0.000 0.204 647 Q C 2.450 178.614 176.000 0.273 0.000 0.988 647 Q CA 3.292 59.197 55.803 0.170 0.000 0.843 647 Q CB -1.012 27.780 28.738 0.091 0.000 0.908 647 Q HN 0.481 nan 8.270 nan 0.000 0.420 648 T N 0.027 114.708 114.554 0.213 0.000 2.867 648 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 648 T C 1.949 177.018 174.700 0.615 0.000 1.057 648 T CA 1.184 63.484 62.100 0.333 0.000 1.136 648 T CB -0.282 68.674 68.868 0.147 0.000 0.874 648 T HN 0.248 nan 8.240 nan 0.000 0.466 649 S N 1.424 117.399 115.700 0.459 0.000 2.345 649 S HA 0.037 4.507 4.470 -0.000 0.000 0.220 649 S C 2.599 177.445 174.600 0.410 0.000 1.031 649 S CA 0.892 59.388 58.200 0.493 0.000 0.996 649 S CB -0.511 62.878 63.200 0.316 0.000 0.882 649 S HN 0.584 nan 8.310 nan 0.000 0.445 650 A N 0.144 123.172 122.820 0.346 0.000 2.019 650 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 650 A C 1.757 179.632 177.584 0.484 0.000 1.164 650 A CA 1.201 53.425 52.037 0.311 0.000 0.644 650 A CB -0.976 18.205 19.000 0.301 0.000 0.805 650 A HN 0.733 nan 8.150 nan 0.000 0.449 651 W N -0.800 120.773 121.300 0.455 0.000 2.338 651 W HA -0.269 4.391 4.660 -0.000 0.000 0.304 651 W C 1.981 178.775 176.519 0.459 0.000 1.212 651 W CA 2.082 59.775 57.345 0.580 0.000 1.264 651 W CB -0.344 29.451 29.460 0.557 0.000 1.142 651 W HN 0.471 nan 8.180 nan 0.000 0.512 652 Y N -0.062 120.531 120.300 0.489 0.000 2.263 652 Y HA -0.161 4.388 4.550 -0.000 0.000 0.292 652 Y C 2.221 178.113 175.900 -0.014 0.000 1.130 652 Y CA 2.191 60.337 58.100 0.076 0.000 1.179 652 Y CB -0.743 37.530 38.460 -0.311 0.000 0.998 652 Y HN -0.178 nan 8.280 nan 0.000 0.532 653 V N -0.219 119.765 119.914 0.118 0.000 2.233 653 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 653 V C 2.123 178.190 176.094 -0.045 0.000 1.050 653 V CA 2.212 64.447 62.300 -0.109 0.000 1.010 653 V CB -0.960 30.679 31.823 -0.306 0.000 0.637 653 V HN 0.327 nan 8.190 nan 0.000 0.444 654 F N 0.950 120.844 119.950 -0.093 0.000 2.095 654 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 654 F C 2.730 178.326 175.800 -0.340 0.000 1.104 654 F CA 2.080 59.947 58.000 -0.221 0.000 1.232 654 F CB -0.734 38.197 39.000 -0.116 0.000 0.987 654 F HN 0.053 nan 8.300 nan 0.000 0.475 655 S N -0.427 115.149 115.700 -0.205 0.000 2.406 655 S HA -0.084 4.386 4.470 -0.000 0.000 0.228 655 S C 2.293 176.700 174.600 -0.322 0.000 1.020 655 S CA 0.779 58.761 58.200 -0.363 0.000 0.965 655 S CB -0.613 62.034 63.200 -0.922 0.000 0.798 655 S HN 0.363 nan 8.310 nan 0.000 0.488 656 A N 1.681 124.285 122.820 -0.359 0.000 1.933 656 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 656 A C 2.016 179.519 177.584 -0.134 0.000 1.175 656 A CA 1.050 52.915 52.037 -0.287 0.000 0.628 656 A CB -0.706 18.197 19.000 -0.162 0.000 0.814 656 A HN 0.467 nan 8.150 nan 0.000 0.444 657 L N -1.613 119.516 121.223 -0.157 0.000 2.191 657 L HA 0.016 4.356 4.340 -0.000 0.000 0.212 657 L C 1.794 178.510 176.870 -0.257 0.000 1.103 657 L CA 0.893 55.579 54.840 -0.255 0.000 0.769 657 L CB -0.421 41.349 42.059 -0.481 0.000 0.908 657 L HN 0.636 nan 8.230 nan 0.000 0.438 658 G N -0.300 108.356 108.800 -0.240 0.000 2.154 658 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.186 658 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.186 658 G C -0.068 174.986 174.900 0.256 0.000 1.000 658 G CA -0.121 44.993 45.100 0.022 0.000 0.664 658 G HN 0.309 nan 8.290 nan 0.000 0.513 659 F N -2.259 117.837 119.950 0.244 0.000 2.719 659 F HA 0.806 5.333 4.527 -0.000 0.000 0.309 659 F C -1.161 174.751 175.800 0.186 0.000 1.138 659 F CA -2.596 55.569 58.000 0.274 0.000 0.943 659 F CB 1.026 40.169 39.000 0.238 0.000 1.304 659 F HN 0.224 nan 8.300 nan 0.000 0.445 660 Y N 1.955 122.235 120.300 -0.034 0.000 2.479 660 Y HA 0.586 5.136 4.550 -0.000 0.000 0.338 660 Y C -2.804 172.866 175.900 -0.383 0.000 1.055 660 Y CA -2.412 55.362 58.100 -0.544 0.000 1.023 660 Y CB 3.308 40.983 38.460 -1.307 0.000 1.287 660 Y HN 0.448 nan 8.280 nan 0.000 0.447 661 P HA 0.065 nan 4.420 nan 0.000 0.231 661 P C 0.621 177.685 177.300 -0.392 0.000 1.811 661 P CA 0.293 63.022 63.100 -0.618 0.000 1.051 661 P CB 0.481 31.755 31.700 -0.709 0.000 1.951 662 V N 0.832 120.730 119.914 -0.027 0.000 2.317 662 V HA -0.234 3.886 4.120 -0.000 0.000 0.251 662 V C 1.524 177.679 176.094 0.102 0.000 1.065 662 V CA 1.875 64.301 62.300 0.210 0.000 1.049 662 V CB -0.549 31.477 31.823 0.338 0.000 0.651 662 V HN 0.520 nan 8.190 nan 0.000 0.450 663 C N 1.916 121.236 119.300 0.033 0.000 2.787 663 C HA 0.497 4.957 4.460 -0.000 0.000 0.265 663 C C -2.481 172.547 174.990 0.064 0.000 1.190 663 C CA -2.299 56.750 59.018 0.052 0.000 1.616 663 C CB -0.680 27.094 27.740 0.056 0.000 1.732 663 C HN 0.311 nan 8.230 nan 0.000 0.433 664 P HA 0.247 nan 4.420 nan 0.000 0.264 664 P C 0.940 178.362 177.300 0.204 0.000 1.179 664 P CA 2.171 65.313 63.100 0.070 0.000 0.763 664 P CB 0.428 32.203 31.700 0.125 0.000 0.806 665 G N 0.969 109.814 108.800 0.074 0.000 2.284 665 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 665 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 665 G C 0.410 175.366 174.900 0.094 0.000 1.009 665 G CA 0.282 45.439 45.100 0.095 0.000 0.625 665 G HN 0.823 nan 8.290 nan 0.000 0.501 666 T N -0.789 113.831 114.554 0.110 0.000 2.849 666 T HA 0.531 4.881 4.350 -0.000 0.000 0.276 666 T C 0.461 175.071 174.700 -0.149 0.000 0.971 666 T CA 0.575 62.645 62.100 -0.049 0.000 0.949 666 T CB 1.739 70.548 68.868 -0.099 0.000 1.093 666 T HN 0.438 nan 8.240 nan 0.000 0.545 667 D N -1.153 119.162 120.400 -0.141 0.000 2.738 667 D HA 0.189 4.829 4.640 -0.000 0.000 0.246 667 D C -0.176 176.052 176.300 -0.120 0.000 1.270 667 D CA -0.427 53.484 54.000 -0.148 0.000 0.833 667 D CB -0.195 40.574 40.800 -0.052 0.000 1.040 667 D HN 0.665 nan 8.370 nan 0.000 0.487 668 E N -0.002 120.060 120.200 -0.229 0.000 2.199 668 E HA 0.352 4.702 4.350 -0.000 0.000 0.269 668 E C -1.214 175.167 176.600 -0.365 0.000 0.899 668 E CA -0.877 55.450 56.400 -0.122 0.000 0.772 668 E CB 1.602 31.274 29.700 -0.047 0.000 1.155 668 E HN 0.128 nan 8.360 nan 0.000 0.408 669 Y N 0.858 121.232 120.300 0.123 0.000 2.328 669 Y HA 0.284 4.833 4.550 -0.000 0.000 0.336 669 Y C -0.037 175.984 175.900 0.201 0.000 0.960 669 Y CA -0.947 57.220 58.100 0.113 0.000 1.134 669 Y CB 1.173 39.707 38.460 0.124 0.000 1.166 669 Y HN 0.195 nan 8.280 nan 0.000 0.464 670 V N 4.540 124.630 119.914 0.294 0.000 2.649 670 V HA 0.141 4.261 4.120 -0.000 0.000 0.292 670 V C 0.249 176.620 176.094 0.462 0.000 1.055 670 V CA -0.674 61.830 62.300 0.340 0.000 1.023 670 V CB 1.087 33.105 31.823 0.324 0.000 0.992 670 V HN 0.724 nan 8.190 nan 0.000 0.480 671 M N 3.900 123.775 119.600 0.458 0.000 2.180 671 M HA 0.567 5.047 4.480 -0.000 0.000 0.358 671 M C 0.501 177.096 176.300 0.492 0.000 1.233 671 M CA 0.556 56.130 55.300 0.458 0.000 1.114 671 M CB 0.828 33.628 32.600 0.332 0.000 1.594 671 M HN 0.796 nan 8.290 nan 0.000 0.467 672 G N 1.358 110.437 108.800 0.464 0.000 3.306 672 G HA2 0.502 4.461 3.960 -0.000 0.000 0.202 672 G HA3 0.502 4.461 3.960 -0.000 0.000 0.202 672 G C -0.986 174.003 174.900 0.149 0.000 1.673 672 G CA -0.114 45.125 45.100 0.232 0.000 0.776 672 G HN 0.625 nan 8.290 nan 0.000 0.740 673 T N 1.904 116.500 114.554 0.070 0.000 3.071 673 T HA 0.587 4.937 4.350 -0.000 0.000 0.311 673 T C -3.023 171.666 174.700 -0.018 0.000 1.042 673 T CA -1.052 61.075 62.100 0.046 0.000 1.028 673 T CB 2.125 71.011 68.868 0.029 0.000 1.068 673 T HN 0.241 nan 8.240 nan 0.000 0.451 674 P HA 0.240 nan 4.420 nan 0.000 0.274 674 P C 0.340 177.564 177.300 -0.127 0.000 1.231 674 P CA -0.537 62.534 63.100 -0.049 0.000 0.790 674 P CB 1.170 32.874 31.700 0.007 0.000 0.951 675 L N 1.480 122.562 121.223 -0.235 0.000 2.463 675 L HA 0.339 4.679 4.340 -0.000 0.000 0.219 675 L C 0.280 176.796 176.870 -0.591 0.000 1.088 675 L CA 0.943 55.497 54.840 -0.477 0.000 0.849 675 L CB -0.284 41.328 42.059 -0.744 0.000 1.012 675 L HN 0.179 nan 8.230 nan 0.000 0.468 676 F N -0.976 118.890 119.950 -0.140 0.000 2.541 676 F HA 0.372 4.899 4.527 -0.000 0.000 0.331 676 F C 1.523 177.280 175.800 -0.072 0.000 1.057 676 F CA -0.759 57.174 58.000 -0.111 0.000 0.975 676 F CB 0.967 39.886 39.000 -0.136 0.000 1.246 676 F HN -0.364 nan 8.300 nan 0.000 0.484 677 K N 0.137 120.641 120.400 0.172 0.000 2.148 677 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 677 K C 0.221 176.864 176.600 0.072 0.000 1.050 677 K CA 1.204 57.545 56.287 0.089 0.000 0.942 677 K CB 0.208 32.753 32.500 0.076 0.000 0.724 677 K HN 0.367 nan 8.250 nan 0.000 0.446 678 K N -0.292 120.158 120.400 0.083 0.000 2.543 678 K HA 0.454 4.774 4.320 -0.000 0.000 0.255 678 K C -2.094 174.468 176.600 -0.062 0.000 0.934 678 K CA -0.461 55.833 56.287 0.011 0.000 0.810 678 K CB 2.155 34.657 32.500 0.003 0.000 1.315 678 K HN -0.000 nan 8.250 nan 0.000 0.433 679 A N 1.972 124.736 122.820 -0.094 0.000 2.449 679 A HA 0.736 5.056 4.320 -0.000 0.000 0.302 679 A C -1.247 176.232 177.584 -0.175 0.000 1.048 679 A CA -0.595 51.331 52.037 -0.185 0.000 0.708 679 A CB 1.957 20.831 19.000 -0.210 0.000 1.274 679 A HN 0.527 nan 8.150 nan 0.000 0.410 680 T N 2.289 116.698 114.554 -0.241 0.000 2.879 680 T HA 0.552 4.902 4.350 -0.000 0.000 0.290 680 T C -0.733 173.647 174.700 -0.533 0.000 0.993 680 T CA -0.231 61.669 62.100 -0.334 0.000 0.975 680 T CB 0.820 69.506 68.868 -0.304 0.000 0.981 680 T HN 0.474 nan 8.240 nan 0.000 0.439 681 L N 4.159 125.020 121.223 -0.605 0.000 2.296 681 L HA 0.451 4.791 4.340 -0.000 0.000 0.286 681 L C -0.084 176.148 176.870 -1.064 0.000 1.023 681 L CA -0.957 53.407 54.840 -0.793 0.000 0.812 681 L CB 0.776 42.364 42.059 -0.785 0.000 1.223 681 L HN 0.593 nan 8.230 nan 0.000 0.421 682 H N 4.169 122.890 119.070 -0.583 0.000 2.641 682 H HA 0.319 4.875 4.556 -0.000 0.000 0.295 682 H C -0.516 174.539 175.328 -0.454 0.000 1.070 682 H CA -0.492 55.287 56.048 -0.448 0.000 1.257 682 H CB 0.726 30.347 29.762 -0.236 0.000 1.393 682 H HN 0.266 nan 8.280 nan 0.000 0.464 683 F N 0.841 120.745 119.950 -0.076 0.000 2.370 683 F HA 0.107 4.634 4.527 -0.000 0.000 0.324 683 F C 2.002 177.682 175.800 -0.201 0.000 1.116 683 F CA -0.569 57.304 58.000 -0.211 0.000 1.123 683 F CB 0.863 39.614 39.000 -0.416 0.000 1.238 683 F HN 0.468 nan 8.300 nan 0.000 0.536 684 E N 0.385 120.576 120.200 -0.015 0.000 2.265 684 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 684 E C 1.162 177.723 176.600 -0.064 0.000 0.996 684 E CA 1.190 57.571 56.400 -0.032 0.000 0.832 684 E CB -0.347 29.348 29.700 -0.008 0.000 0.756 684 E HN 0.672 nan 8.360 nan 0.000 0.491 685 N N -0.545 118.065 118.700 -0.149 0.000 2.449 685 N HA -0.006 4.734 4.740 -0.000 0.000 0.191 685 N C 1.187 176.659 175.510 -0.063 0.000 1.161 685 N CA 0.450 53.419 53.050 -0.135 0.000 0.863 685 N CB 0.539 38.876 38.487 -0.250 0.000 0.980 685 N HN 0.104 nan 8.380 nan 0.000 0.458 686 G N 0.221 109.006 108.800 -0.025 0.000 2.199 686 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.254 686 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.254 686 G C -0.220 174.698 174.900 0.030 0.000 0.982 686 G CA -0.096 45.005 45.100 0.001 0.000 0.632 686 G HN 0.437 nan 8.290 nan 0.000 0.529 687 N N 0.423 119.155 118.700 0.053 0.000 2.463 687 N HA 0.709 5.449 4.740 -0.000 0.000 0.270 687 N C -0.155 175.437 175.510 0.137 0.000 1.205 687 N CA 0.204 53.320 53.050 0.109 0.000 0.974 687 N CB 1.417 39.981 38.487 0.128 0.000 1.197 687 N HN 0.197 nan 8.380 nan 0.000 0.504 688 S N -0.054 115.707 115.700 0.102 0.000 2.569 688 S HA 0.623 5.093 4.470 -0.000 0.000 0.280 688 S C -1.388 173.203 174.600 -0.015 0.000 1.111 688 S CA -0.579 57.593 58.200 -0.045 0.000 0.887 688 S CB 1.699 64.909 63.200 0.017 0.000 1.095 688 S HN 0.400 nan 8.310 nan 0.000 0.476 689 L N 2.934 124.063 121.223 -0.157 0.000 2.406 689 L HA 0.689 5.029 4.340 -0.000 0.000 0.272 689 L C -1.383 175.405 176.870 -0.137 0.000 0.980 689 L CA -0.412 54.400 54.840 -0.046 0.000 0.831 689 L CB 1.535 43.655 42.059 0.103 0.000 1.253 689 L HN 0.454 nan 8.230 nan 0.000 0.406 690 V N 6.491 126.349 119.914 -0.092 0.000 2.407 690 V HA 0.425 4.545 4.120 -0.000 0.000 0.278 690 V C 0.192 176.228 176.094 -0.096 0.000 1.037 690 V CA -0.297 61.945 62.300 -0.096 0.000 0.900 690 V CB 1.519 33.307 31.823 -0.059 0.000 0.983 690 V HN 0.574 nan 8.190 nan 0.000 0.459 691 I N 4.023 124.544 120.570 -0.082 0.000 2.337 691 I HA 0.316 4.486 4.170 -0.000 0.000 0.285 691 I C -0.618 175.476 176.117 -0.038 0.000 1.041 691 I CA -0.223 61.040 61.300 -0.062 0.000 1.199 691 I CB 1.263 39.258 38.000 -0.007 0.000 1.370 691 I HN 0.558 nan 8.210 nan 0.000 0.470 692 D N 6.047 126.425 120.400 -0.036 0.000 2.329 692 D HA 0.556 5.196 4.640 -0.000 0.000 0.232 692 D C -0.258 176.041 176.300 -0.001 0.000 1.088 692 D CA -0.189 53.802 54.000 -0.015 0.000 0.835 692 D CB 1.560 42.352 40.800 -0.014 0.000 1.078 692 D HN 0.584 nan 8.370 nan 0.000 0.495 693 A N 5.122 127.948 122.820 0.011 0.000 3.355 693 A HA 0.360 4.679 4.320 -0.000 0.000 0.290 693 A C -1.900 175.694 177.584 0.016 0.000 0.973 693 A CA -0.854 51.191 52.037 0.015 0.000 0.933 693 A CB 0.757 19.768 19.000 0.018 0.000 1.138 693 A HN 0.438 nan 8.150 nan 0.000 0.490 694 P HA -0.128 nan 4.420 nan 0.000 0.225 694 P C 0.645 177.951 177.300 0.010 0.000 1.148 694 P CA 1.248 64.357 63.100 0.016 0.000 0.779 694 P CB 0.214 31.922 31.700 0.013 0.000 0.780 695 N N -0.793 117.910 118.700 0.004 0.000 2.230 695 N HA 0.012 4.752 4.740 -0.000 0.000 0.202 695 N C 0.359 175.861 175.510 -0.014 0.000 1.119 695 N CA -0.286 52.760 53.050 -0.005 0.000 0.851 695 N CB -0.652 37.830 38.487 -0.008 0.000 0.990 695 N HN -0.113 nan 8.380 nan 0.000 0.497 696 N N 0.476 119.170 118.700 -0.010 0.000 2.416 696 N HA 0.054 4.794 4.740 -0.000 0.000 0.246 696 N C -0.577 174.913 175.510 -0.033 0.000 1.260 696 N CA 0.560 53.596 53.050 -0.024 0.000 0.897 696 N CB 0.595 39.069 38.487 -0.023 0.000 1.110 696 N HN 0.359 nan 8.380 nan 0.000 0.439 697 S N -0.519 115.153 115.700 -0.046 0.000 2.643 697 S HA 0.190 4.660 4.470 -0.000 0.000 0.266 697 S C 0.719 175.295 174.600 -0.039 0.000 1.130 697 S CA -0.434 57.738 58.200 -0.046 0.000 0.817 697 S CB 0.162 63.340 63.200 -0.038 0.000 1.107 697 S HN 0.375 nan 8.310 nan 0.000 0.471 698 T N 1.391 115.923 114.554 -0.035 0.000 2.759 698 T HA -0.061 4.289 4.350 -0.000 0.000 0.269 698 T C 1.208 175.941 174.700 0.054 0.000 1.042 698 T CA 2.373 64.463 62.100 -0.016 0.000 1.140 698 T CB -0.503 68.348 68.868 -0.027 0.000 0.864 698 T HN 0.683 nan 8.240 nan 0.000 0.455 699 E N 0.999 121.203 120.200 0.007 0.000 2.190 699 E HA 0.116 4.466 4.350 -0.000 0.000 0.191 699 E C 0.570 177.033 176.600 -0.230 0.000 0.978 699 E CA 0.369 56.746 56.400 -0.037 0.000 0.839 699 E CB -0.041 29.624 29.700 -0.058 0.000 0.787 699 E HN 0.521 nan 8.360 nan 0.000 0.473 700 N N 0.967 119.568 118.700 -0.165 0.000 3.083 700 N HA 0.120 4.860 4.740 -0.000 0.000 0.260 700 N C -0.545 174.842 175.510 -0.205 0.000 1.163 700 N CA -0.249 52.662 53.050 -0.231 0.000 1.060 700 N CB 0.187 38.606 38.487 -0.112 0.000 1.345 700 N HN 0.136 nan 8.380 nan 0.000 0.515 701 F N -1.664 118.151 119.950 -0.224 0.000 2.678 701 F HA 0.398 4.925 4.527 -0.000 0.000 0.305 701 F C -0.317 175.315 175.800 -0.281 0.000 1.090 701 F CA -0.910 56.916 58.000 -0.290 0.000 1.272 701 F CB -0.342 38.424 39.000 -0.390 0.000 1.060 701 F HN 0.020 nan 8.300 nan 0.000 0.576 702 Y N 2.320 122.544 120.300 -0.127 0.000 2.304 702 Y HA 0.437 4.987 4.550 -0.000 0.000 0.328 702 Y C 0.532 176.441 175.900 0.015 0.000 1.123 702 Y CA -1.690 56.409 58.100 -0.001 0.000 1.218 702 Y CB 0.615 39.022 38.460 -0.089 0.000 1.207 702 Y HN -0.087 nan 8.280 nan 0.000 0.495 703 I N 3.486 124.202 120.570 0.242 0.000 2.396 703 I HA 0.005 4.175 4.170 -0.000 0.000 0.289 703 I C 0.736 176.933 176.117 0.134 0.000 1.056 703 I CA 0.159 61.554 61.300 0.159 0.000 1.365 703 I CB 0.927 39.025 38.000 0.163 0.000 1.407 703 I HN 0.717 nan 8.210 nan 0.000 0.509 704 D N 3.847 124.296 120.400 0.081 0.000 2.197 704 D HA -0.000 4.640 4.640 -0.000 0.000 0.212 704 D C 0.350 176.678 176.300 0.047 0.000 0.963 704 D CA 0.932 54.958 54.000 0.042 0.000 0.864 704 D CB 0.582 41.388 40.800 0.010 0.000 1.009 704 D HN 0.565 nan 8.370 nan 0.000 0.479 705 S N -1.006 114.726 115.700 0.053 0.000 2.618 705 S HA 0.673 5.143 4.470 -0.000 0.000 0.277 705 S C -0.620 174.024 174.600 0.074 0.000 1.138 705 S CA -0.971 57.264 58.200 0.060 0.000 0.844 705 S CB 2.555 65.781 63.200 0.042 0.000 1.127 705 S HN 0.124 nan 8.310 nan 0.000 0.474 706 M N 2.113 121.769 119.600 0.093 0.000 2.378 706 M HA 0.549 5.029 4.480 -0.000 0.000 0.289 706 M C -1.617 174.761 176.300 0.129 0.000 1.136 706 M CA -0.149 55.214 55.300 0.105 0.000 0.917 706 M CB 2.280 34.970 32.600 0.151 0.000 1.669 706 M HN 1.052 nan 8.290 nan 0.000 0.461 707 S N 2.354 118.110 115.700 0.094 0.000 2.570 707 S HA 0.763 5.232 4.470 -0.000 0.000 0.286 707 S C -1.317 173.358 174.600 0.126 0.000 1.099 707 S CA -0.703 57.574 58.200 0.128 0.000 0.913 707 S CB 2.214 65.469 63.200 0.093 0.000 1.085 707 S HN 0.591 nan 8.310 nan 0.000 0.480 708 F N 2.206 122.153 119.950 -0.004 0.000 2.824 708 F HA 0.449 4.976 4.527 -0.000 0.000 0.375 708 F C -0.175 175.615 175.800 -0.017 0.000 1.190 708 F CA -1.481 56.485 58.000 -0.055 0.000 1.180 708 F CB -0.749 38.158 39.000 -0.155 0.000 1.477 708 F HN 0.970 nan 8.300 nan 0.000 0.542 709 N N 3.120 122.029 118.700 0.349 0.000 2.780 709 N HA -0.143 4.597 4.740 -0.000 0.000 0.247 709 N C 0.946 176.523 175.510 0.110 0.000 1.076 709 N CA 0.626 53.793 53.050 0.195 0.000 0.688 709 N CB -1.066 37.520 38.487 0.165 0.000 0.957 709 N HN 1.079 nan 8.380 nan 0.000 0.551 710 G N -1.035 107.826 108.800 0.101 0.000 2.527 710 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 710 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 710 G C 0.318 175.262 174.900 0.074 0.000 1.177 710 G CA 0.219 45.361 45.100 0.070 0.000 0.695 710 G HN 1.134 nan 8.290 nan 0.000 0.517 711 A N 0.882 123.752 122.820 0.084 0.000 2.440 711 A HA 0.526 4.846 4.320 -0.000 0.000 0.251 711 A C 0.265 177.922 177.584 0.122 0.000 1.089 711 A CA 0.840 52.926 52.037 0.082 0.000 0.779 711 A CB 0.279 19.315 19.000 0.061 0.000 1.022 711 A HN 0.702 nan 8.150 nan 0.000 0.492 712 D N 0.639 121.094 120.400 0.092 0.000 2.472 712 D HA 0.009 4.649 4.640 -0.000 0.000 0.237 712 D C -0.136 176.251 176.300 0.144 0.000 1.141 712 D CA 1.054 55.115 54.000 0.101 0.000 0.875 712 D CB 0.168 41.003 40.800 0.057 0.000 1.192 712 D HN 0.517 nan 8.370 nan 0.000 0.450 713 H N 2.762 121.866 119.070 0.055 0.000 2.675 713 H HA 0.161 4.717 4.556 -0.000 0.000 0.258 713 H C 0.380 175.730 175.328 0.037 0.000 1.271 713 H CA -0.118 55.961 56.048 0.050 0.000 1.462 713 H CB 0.613 30.433 29.762 0.097 0.000 1.467 713 H HN 0.486 nan 8.280 nan 0.000 0.501 714 T N 0.406 114.878 114.554 -0.137 0.000 3.081 714 T HA 0.118 4.468 4.350 -0.000 0.000 0.255 714 T C 0.745 175.372 174.700 -0.121 0.000 1.113 714 T CA -0.155 61.906 62.100 -0.065 0.000 1.082 714 T CB 0.419 69.270 68.868 -0.027 0.000 0.939 714 T HN 0.321 nan 8.240 nan 0.000 0.506 715 K N 1.999 122.161 120.400 -0.396 0.000 2.414 715 K HA 0.152 4.472 4.320 -0.000 0.000 0.272 715 K C -0.030 176.532 176.600 -0.063 0.000 0.993 715 K CA 0.039 56.130 56.287 -0.326 0.000 0.964 715 K CB 0.260 32.321 32.500 -0.731 0.000 0.925 715 K HN 0.302 nan 8.250 nan 0.000 0.487 716 N N 1.400 120.161 118.700 0.101 0.000 2.375 716 N HA 0.036 4.776 4.740 -0.000 0.000 0.220 716 N C -1.218 174.483 175.510 0.319 0.000 1.170 716 N CA -0.160 53.010 53.050 0.200 0.000 0.833 716 N CB -0.081 38.500 38.487 0.157 0.000 1.069 716 N HN 0.435 nan 8.380 nan 0.000 0.479 717 Y N -2.281 118.132 120.300 0.189 0.000 2.641 717 Y HA 0.551 5.101 4.550 -0.000 0.000 0.333 717 Y C -2.051 174.014 175.900 0.274 0.000 1.174 717 Y CA -1.518 56.700 58.100 0.197 0.000 1.057 717 Y CB 0.900 39.425 38.460 0.110 0.000 1.322 717 Y HN -0.285 nan 8.280 nan 0.000 0.457 718 L N 3.177 124.568 121.223 0.280 0.000 2.354 718 L HA 0.706 5.045 4.340 -0.000 0.000 0.269 718 L C -0.382 176.678 176.870 0.316 0.000 1.005 718 L CA -1.130 53.806 54.840 0.160 0.000 0.819 718 L CB 2.343 44.342 42.059 -0.099 0.000 1.311 718 L HN 0.693 nan 8.230 nan 0.000 0.423 719 R N -0.289 120.364 120.500 0.256 0.000 2.428 719 R HA 0.214 4.554 4.340 -0.000 0.000 0.294 719 R C 0.539 176.959 176.300 0.201 0.000 1.000 719 R CA -0.678 55.575 56.100 0.254 0.000 0.960 719 R CB 1.533 31.951 30.300 0.197 0.000 1.076 719 R HN 0.546 nan 8.270 nan 0.000 0.475 720 H N 1.977 121.114 119.070 0.113 0.000 2.319 720 H HA -0.175 4.381 4.556 -0.000 0.000 0.299 720 H C 0.961 176.146 175.328 -0.238 0.000 1.092 720 H CA 2.317 58.355 56.048 -0.016 0.000 1.302 720 H CB 0.471 30.170 29.762 -0.106 0.000 1.373 720 H HN 0.638 nan 8.280 nan 0.000 0.497 721 E N 0.189 120.354 120.200 -0.058 0.000 2.085 721 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 721 E C 1.935 178.503 176.600 -0.052 0.000 0.994 721 E CA 1.515 57.878 56.400 -0.062 0.000 0.801 721 E CB -0.113 29.595 29.700 0.012 0.000 0.743 721 E HN 0.596 nan 8.360 nan 0.000 0.453 722 D N 0.026 120.407 120.400 -0.033 0.000 2.097 722 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 722 D C 2.042 178.391 176.300 0.082 0.000 0.984 722 D CA 0.735 54.710 54.000 -0.042 0.000 0.826 722 D CB -0.254 40.470 40.800 -0.126 0.000 0.973 722 D HN 0.159 nan 8.370 nan 0.000 0.460 723 L N -0.145 121.118 121.223 0.067 0.000 2.042 723 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 723 L C 2.296 179.167 176.870 0.002 0.000 1.076 723 L CA 0.753 55.638 54.840 0.076 0.000 0.749 723 L CB -0.407 41.573 42.059 -0.132 0.000 0.893 723 L HN -0.030 nan 8.230 nan 0.000 0.432 724 F N 0.733 120.385 119.950 -0.497 0.000 2.546 724 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 724 F C 2.285 177.969 175.800 -0.192 0.000 1.120 724 F CA 0.870 58.506 58.000 -0.607 0.000 1.456 724 F CB -0.534 38.142 39.000 -0.539 0.000 1.088 724 F HN 0.026 nan 8.300 nan 0.000 0.572 725 K N -0.357 120.099 120.400 0.094 0.000 2.296 725 K HA 0.207 4.527 4.320 -0.000 0.000 0.200 725 K C 1.305 177.987 176.600 0.136 0.000 1.048 725 K CA 0.581 56.919 56.287 0.085 0.000 0.966 725 K CB -0.293 32.232 32.500 0.042 0.000 0.754 725 K HN 0.318 nan 8.250 nan 0.000 0.466 726 G N 0.205 109.139 108.800 0.223 0.000 2.693 726 G HA2 0.011 3.971 3.960 -0.000 0.000 0.226 726 G HA3 0.011 3.971 3.960 -0.000 0.000 0.226 726 G C 0.247 175.278 174.900 0.217 0.000 1.354 726 G CA -0.388 44.859 45.100 0.246 0.000 0.873 726 G HN 0.655 nan 8.290 nan 0.000 0.562 727 G N -3.141 105.750 108.800 0.152 0.000 2.418 727 G HA2 0.516 4.476 3.960 -0.000 0.000 0.206 727 G HA3 0.516 4.476 3.960 -0.000 0.000 0.206 727 G C -0.210 174.741 174.900 0.086 0.000 1.202 727 G CA 0.541 45.724 45.100 0.138 0.000 1.061 727 G HN 2.373 nan 8.290 nan 0.000 0.563 728 T N 0.491 115.094 114.554 0.081 0.000 2.886 728 T HA 0.646 4.996 4.350 -0.000 0.000 0.292 728 T C -0.144 174.491 174.700 -0.107 0.000 1.012 728 T CA -0.303 61.788 62.100 -0.015 0.000 0.982 728 T CB 1.677 70.547 68.868 0.003 0.000 1.018 728 T HN 0.650 nan 8.240 nan 0.000 0.451 729 I N 2.762 123.179 120.570 -0.255 0.000 2.336 729 I HA 0.472 4.642 4.170 -0.000 0.000 0.292 729 I C 0.013 176.045 176.117 -0.142 0.000 0.991 729 I CA -0.805 60.292 61.300 -0.339 0.000 1.227 729 I CB 1.356 39.050 38.000 -0.510 0.000 1.366 729 I HN 0.305 nan 8.210 nan 0.000 0.466 730 K N 6.103 126.457 120.400 -0.077 0.000 2.235 730 K HA 0.614 4.934 4.320 -0.000 0.000 0.266 730 K C -1.471 175.124 176.600 -0.009 0.000 0.980 730 K CA -0.435 55.837 56.287 -0.025 0.000 0.849 730 K CB 1.416 33.918 32.500 0.003 0.000 1.098 730 K HN 0.363 nan 8.250 nan 0.000 0.445 731 V N 3.775 123.690 119.914 0.002 0.000 2.443 731 V HA 0.241 4.361 4.120 -0.000 0.000 0.293 731 V C -0.997 175.112 176.094 0.025 0.000 1.021 731 V CA -0.993 61.320 62.300 0.023 0.000 0.848 731 V CB 1.415 33.256 31.823 0.030 0.000 0.998 731 V HN 0.823 nan 8.190 nan 0.000 0.424 732 D N 5.800 126.218 120.400 0.031 0.000 2.365 732 D HA 0.392 5.032 4.640 -0.000 0.000 0.237 732 D C 0.011 176.326 176.300 0.025 0.000 1.190 732 D CA -0.255 53.758 54.000 0.023 0.000 0.867 732 D CB 0.612 41.425 40.800 0.021 0.000 1.050 732 D HN 0.259 nan 8.370 nan 0.000 0.491 733 M N 2.049 121.657 119.600 0.014 0.000 2.342 733 M HA 0.396 4.876 4.480 -0.000 0.000 0.332 733 M C 0.220 176.513 176.300 -0.011 0.000 1.166 733 M CA -0.607 54.698 55.300 0.008 0.000 1.086 733 M CB 0.995 33.591 32.600 -0.007 0.000 1.541 733 M HN 0.397 nan 8.290 nan 0.000 0.462 734 S N 0.879 116.568 115.700 -0.019 0.000 2.625 734 S HA 0.453 4.923 4.470 -0.000 0.000 0.271 734 S C -0.184 174.367 174.600 -0.082 0.000 1.161 734 S CA -0.722 57.454 58.200 -0.040 0.000 0.820 734 S CB 1.201 64.388 63.200 -0.022 0.000 1.137 734 S HN 0.758 nan 8.310 nan 0.000 0.470 735 N N 1.559 120.199 118.700 -0.100 0.000 2.276 735 N HA 0.198 4.938 4.740 -0.000 0.000 0.212 735 N C -0.398 175.119 175.510 0.011 0.000 1.127 735 N CA -0.240 52.716 53.050 -0.157 0.000 0.834 735 N CB -0.170 38.224 38.487 -0.154 0.000 1.014 735 N HN 0.328 nan 8.380 nan 0.000 0.491 736 R N 0.854 121.363 120.500 0.016 0.000 2.686 736 R HA 0.488 4.828 4.340 -0.000 0.000 0.283 736 R C -2.885 173.057 176.300 -0.597 0.000 0.978 736 R CA -1.854 54.103 56.100 -0.237 0.000 0.897 736 R CB 1.563 31.742 30.300 -0.202 0.000 1.192 736 R HN 0.079 nan 8.270 nan 0.000 0.457 737 P HA 0.016 nan 4.420 nan 0.000 0.271 737 P C -0.312 176.633 177.300 -0.592 0.000 1.216 737 P CA -0.306 62.157 63.100 -1.062 0.000 0.771 737 P CB 0.536 31.592 31.700 -1.073 0.000 0.864 738 N N 3.586 122.065 118.700 -0.368 0.000 2.508 738 N HA 0.007 4.747 4.740 -0.000 0.000 0.253 738 N C 0.883 176.106 175.510 -0.479 0.000 1.145 738 N CA -0.141 52.732 53.050 -0.295 0.000 0.973 738 N CB -0.507 37.913 38.487 -0.111 0.000 1.305 738 N HN 0.149 nan 8.380 nan 0.000 0.506 739 L N 2.714 123.508 121.223 -0.714 0.000 2.447 739 L HA -0.070 4.270 4.340 -0.000 0.000 0.225 739 L C 0.519 177.028 176.870 -0.602 0.000 1.148 739 L CA 1.204 55.396 54.840 -1.081 0.000 0.808 739 L CB -0.870 40.737 42.059 -0.753 0.000 0.928 739 L HN 0.537 nan 8.230 nan 0.000 0.448 740 N N -1.319 117.208 118.700 -0.288 0.000 2.282 740 N HA 0.156 4.896 4.740 -0.000 0.000 0.240 740 N C 0.111 175.622 175.510 0.003 0.000 1.182 740 N CA -0.117 52.875 53.050 -0.096 0.000 0.874 740 N CB 0.628 39.062 38.487 -0.088 0.000 1.126 740 N HN 0.078 nan 8.380 nan 0.000 0.516 741 R N -0.031 120.505 120.500 0.059 0.000 2.562 741 R HA 0.483 4.823 4.340 -0.000 0.000 0.298 741 R C 0.098 176.520 176.300 0.204 0.000 0.961 741 R CA -0.153 56.014 56.100 0.111 0.000 0.881 741 R CB 0.947 31.302 30.300 0.093 0.000 1.159 741 R HN 0.139 nan 8.270 nan 0.000 0.450 742 G N 2.351 111.239 108.800 0.147 0.000 2.176 742 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.252 742 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.252 742 G C 0.515 175.512 174.900 0.161 0.000 1.024 742 G CA 0.851 46.037 45.100 0.145 0.000 0.755 742 G HN 0.763 nan 8.290 nan 0.000 0.507 743 T N -4.159 110.496 114.554 0.169 0.000 3.014 743 T HA 0.593 4.943 4.350 -0.000 0.000 0.250 743 T C 1.301 176.064 174.700 0.105 0.000 1.060 743 T CA 1.550 63.752 62.100 0.169 0.000 1.040 743 T CB 0.206 69.203 68.868 0.215 0.000 0.971 743 T HN 1.414 nan 8.240 nan 0.000 0.497 744 K N 1.647 122.096 120.400 0.082 0.000 2.219 744 K HA 0.338 4.658 4.320 -0.000 0.000 0.258 744 K C 1.117 177.749 176.600 0.052 0.000 1.008 744 K CA -0.075 56.247 56.287 0.058 0.000 0.928 744 K CB -0.067 32.460 32.500 0.045 0.000 0.983 744 K HN 0.282 nan 8.250 nan 0.000 0.484 745 E N 0.775 121.001 120.200 0.043 0.000 2.106 745 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 745 E C 1.554 178.183 176.600 0.049 0.000 0.984 745 E CA 2.064 58.487 56.400 0.038 0.000 0.806 745 E CB 0.061 29.778 29.700 0.028 0.000 0.750 745 E HN 0.773 nan 8.360 nan 0.000 0.458 746 E N 0.343 120.573 120.200 0.051 0.000 2.409 746 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 746 E C 1.322 177.979 176.600 0.097 0.000 1.024 746 E CA 1.114 57.554 56.400 0.066 0.000 0.861 746 E CB -0.022 29.704 29.700 0.043 0.000 0.788 746 E HN 0.165 nan 8.360 nan 0.000 0.521 747 D N 0.203 120.652 120.400 0.081 0.000 2.333 747 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 747 D C 0.416 176.819 176.300 0.173 0.000 0.984 747 D CA 0.429 54.485 54.000 0.092 0.000 0.873 747 D CB 0.113 40.946 40.800 0.056 0.000 0.935 747 D HN 0.165 nan 8.370 nan 0.000 0.521 748 M N 1.688 121.351 119.600 0.105 0.000 2.245 748 M HA 0.200 4.680 4.480 -0.000 0.000 0.344 748 M C -2.038 174.213 176.300 -0.082 0.000 1.170 748 M CA -1.819 53.480 55.300 -0.000 0.000 1.135 748 M CB -0.186 32.403 32.600 -0.019 0.000 1.574 748 M HN -0.240 nan 8.290 nan 0.000 0.452 749 P HA 0.118 nan 4.420 nan 0.000 0.281 749 P C -0.859 176.316 177.300 -0.208 0.000 1.286 749 P CA -0.466 62.294 63.100 -0.565 0.000 0.780 749 P CB 0.265 31.607 31.700 -0.596 0.000 1.157 750 Y N 0.184 120.358 120.300 -0.209 0.000 2.610 750 Y HA 0.215 4.765 4.550 -0.000 0.000 0.332 750 Y C -0.339 175.639 175.900 0.130 0.000 1.201 750 Y CA 1.072 59.169 58.100 -0.005 0.000 1.465 750 Y CB 0.180 38.661 38.460 0.034 0.000 1.283 750 Y HN 0.152 nan 8.280 nan 0.000 0.563 751 S N 7.562 122.959 115.700 -0.505 0.000 2.614 751 S HA 0.137 4.607 4.470 -0.000 0.000 0.288 751 S C 0.099 174.316 174.600 -0.640 0.000 1.137 751 S CA -0.818 57.136 58.200 -0.409 0.000 0.992 751 S CB 0.869 63.967 63.200 -0.170 0.000 1.026 751 S HN 0.777 nan 8.310 nan 0.000 0.486 752 F N 4.040 123.688 119.950 -0.503 0.000 2.147 752 F HA -0.194 4.333 4.527 -0.000 0.000 0.301 752 F C 2.330 178.092 175.800 -0.063 0.000 1.084 752 F CA 2.306 60.251 58.000 -0.091 0.000 1.268 752 F CB -0.735 38.435 39.000 0.284 0.000 1.009 752 F HN 0.636 nan 8.300 nan 0.000 0.486 753 S N -0.745 114.829 115.700 -0.209 0.000 2.453 753 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 753 S C 1.904 176.385 174.600 -0.199 0.000 1.005 753 S CA 0.787 58.818 58.200 -0.281 0.000 0.949 753 S CB -0.480 62.614 63.200 -0.178 0.000 0.774 753 S HN 0.469 nan 8.310 nan 0.000 0.510 754 K N 1.244 121.538 120.400 -0.176 0.000 2.103 754 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 754 K C 2.313 178.863 176.600 -0.084 0.000 1.052 754 K CA 1.144 57.357 56.287 -0.124 0.000 0.945 754 K CB -0.146 32.281 32.500 -0.121 0.000 0.722 754 K HN 0.558 nan 8.250 nan 0.000 0.443 755 E N 1.416 121.564 120.200 -0.087 0.000 2.058 755 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 755 E C 1.943 178.581 176.600 0.064 0.000 0.997 755 E CA 0.983 57.439 56.400 0.093 0.000 0.801 755 E CB 0.020 29.943 29.700 0.371 0.000 0.746 755 E HN 0.220 nan 8.360 nan 0.000 0.450 756 L N 0.307 121.487 121.223 -0.072 0.000 2.201 756 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 756 L C 1.797 178.626 176.870 -0.068 0.000 1.105 756 L CA 1.041 55.813 54.840 -0.113 0.000 0.775 756 L CB -0.681 41.184 42.059 -0.324 0.000 0.913 756 L HN 0.208 nan 8.230 nan 0.000 0.440 757 E N 0.000 120.156 120.200 -0.073 0.000 2.725 757 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 757 E CA 0.000 56.373 56.400 -0.046 0.000 0.976 757 E CB 0.000 29.665 29.700 -0.059 0.000 0.812 757 E HN 0.000 nan 8.360 nan 0.000 0.440