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_B DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL MGSQSTFELS TGNTYPAIAR PWGMNFWTPQ TGKMGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIMP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE MTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANMNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY MFTDTGFWDT FRCLFPLLNL MYPSVNKEMQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCMVGNNS ASILVDAYMK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAMNYK NLFDKESKLM RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLMGGKEM FVTMMDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREM TVMNMGNYAH GNQPIQHMIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVMD RMYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VMGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSMSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDMSNRPNL NRGTKEEDMP YSFSKE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.009 176.600 -0.986 0.000 0.988 20 K CA 0.000 55.906 56.287 -0.635 0.000 0.838 20 K CB 0.000 32.118 32.500 -0.637 0.000 1.064 21 D N 0.843 120.787 120.400 -0.760 0.000 2.225 21 D HA 0.503 5.143 4.640 -0.000 0.000 0.248 21 D C 0.554 176.416 176.300 -0.731 0.000 1.096 21 D CA -0.184 53.465 54.000 -0.584 0.000 0.863 21 D CB 0.588 41.167 40.800 -0.368 0.000 1.156 21 D HN 0.567 nan 8.370 nan 0.000 0.450 22 W N 2.071 123.236 121.300 -0.225 0.000 2.993 22 W HA -0.007 4.652 4.660 -0.000 0.000 0.290 22 W C 1.910 178.271 176.519 -0.263 0.000 1.203 22 W CA 0.498 57.642 57.345 -0.335 0.000 1.582 22 W CB -0.402 28.763 29.460 -0.493 0.000 1.033 22 W HN 0.557 nan 8.180 nan 0.000 0.594 23 T N -0.415 114.155 114.554 0.027 0.000 2.897 23 T HA -0.308 4.042 4.350 -0.000 0.000 0.271 23 T C 1.660 176.308 174.700 -0.087 0.000 1.084 23 T CA 1.791 63.903 62.100 0.019 0.000 1.123 23 T CB -0.402 68.562 68.868 0.161 0.000 0.865 23 T HN 0.386 nan 8.240 nan 0.000 0.496 24 Q N -0.125 119.523 119.800 -0.253 0.000 2.226 24 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 24 Q C 1.499 177.341 176.000 -0.262 0.000 0.975 24 Q CA 1.365 56.974 55.803 -0.324 0.000 0.866 24 Q CB -0.774 27.650 28.738 -0.523 0.000 0.915 24 Q HN 0.628 nan 8.270 nan 0.000 0.440 25 Y N 0.786 121.100 120.300 0.024 0.000 2.519 25 Y HA 0.184 4.734 4.550 -0.000 0.000 0.287 25 Y C 0.718 176.671 175.900 0.088 0.000 1.128 25 Y CA -0.581 57.590 58.100 0.118 0.000 1.282 25 Y CB 0.396 39.020 38.460 0.273 0.000 1.027 25 Y HN -0.113 nan 8.280 nan 0.000 0.551 26 V N 2.373 122.340 119.914 0.089 0.000 2.470 26 V HA 0.048 4.168 4.120 -0.000 0.000 0.276 26 V C -0.074 175.915 176.094 -0.174 0.000 1.040 26 V CA -0.499 61.744 62.300 -0.095 0.000 1.008 26 V CB 0.585 32.178 31.823 -0.383 0.000 0.990 26 V HN 0.233 nan 8.190 nan 0.000 0.477 27 N N 7.197 125.821 118.700 -0.125 0.000 2.558 27 N HA 0.408 5.148 4.740 -0.000 0.000 0.242 27 N C -2.010 173.424 175.510 -0.128 0.000 0.979 27 N CA -2.207 50.782 53.050 -0.102 0.000 0.931 27 N CB 2.088 40.565 38.487 -0.017 0.000 1.122 27 N HN 0.199 nan 8.380 nan 0.000 0.508 28 P HA 0.050 nan 4.420 nan 0.000 0.233 28 P C 0.725 178.035 177.300 0.017 0.000 1.167 28 P CA 0.766 63.784 63.100 -0.137 0.000 0.770 28 P CB 0.323 31.900 31.700 -0.204 0.000 0.837 29 L N -2.207 119.046 121.223 0.050 0.000 2.591 29 L HA 0.198 4.538 4.340 -0.000 0.000 0.228 29 L C 1.277 178.228 176.870 0.135 0.000 1.133 29 L CA -0.163 54.765 54.840 0.146 0.000 0.880 29 L CB -0.451 41.745 42.059 0.228 0.000 1.033 29 L HN 0.063 nan 8.230 nan 0.000 0.450 30 M N 1.161 120.818 119.600 0.094 0.000 2.364 30 M HA 0.185 4.664 4.480 -0.000 0.000 0.342 30 M C 0.939 177.367 176.300 0.213 0.000 1.601 30 M CA 1.020 56.365 55.300 0.075 0.000 1.156 30 M CB 0.025 32.634 32.600 0.015 0.000 1.912 30 M HN 0.277 nan 8.290 nan 0.000 0.460 31 G N 2.002 110.918 108.800 0.194 0.000 2.184 31 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.206 31 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.206 31 G C 0.584 175.622 174.900 0.230 0.000 0.995 31 G CA 0.445 45.721 45.100 0.293 0.000 0.651 31 G HN 0.844 nan 8.290 nan 0.000 0.511 32 S N -0.808 115.039 115.700 0.246 0.000 2.496 32 S HA 0.166 4.636 4.470 -0.000 0.000 0.224 32 S C 1.165 175.949 174.600 0.306 0.000 0.996 32 S CA 1.174 59.585 58.200 0.353 0.000 0.927 32 S CB 0.143 63.695 63.200 0.587 0.000 0.774 32 S HN 0.526 nan 8.310 nan 0.000 0.524 33 Q N 1.795 121.709 119.800 0.190 0.000 3.181 33 Q HA 0.396 4.735 4.340 -0.000 0.000 0.293 33 Q C -1.062 175.022 176.000 0.140 0.000 1.406 33 Q CA -0.244 55.647 55.803 0.147 0.000 1.026 33 Q CB -0.165 28.574 28.738 0.001 0.000 1.630 33 Q HN 0.331 nan 8.270 nan 0.000 0.553 34 S N 0.275 116.092 115.700 0.195 0.000 2.526 34 S HA 0.606 5.076 4.470 -0.000 0.000 0.293 34 S C -0.540 174.186 174.600 0.210 0.000 1.092 34 S CA -0.647 57.677 58.200 0.207 0.000 0.980 34 S CB 1.728 65.083 63.200 0.258 0.000 1.048 34 S HN 0.596 nan 8.310 nan 0.000 0.483 35 T N -0.326 114.306 114.554 0.129 0.000 2.926 35 T HA 0.539 4.889 4.350 -0.000 0.000 0.289 35 T C 0.770 175.474 174.700 0.007 0.000 1.054 35 T CA -0.729 61.365 62.100 -0.010 0.000 1.015 35 T CB 0.592 69.444 68.868 -0.027 0.000 1.167 35 T HN 0.365 nan 8.240 nan 0.000 0.526 36 F N 1.459 121.196 119.950 -0.354 0.000 2.126 36 F HA -0.009 4.517 4.527 -0.000 0.000 0.299 36 F C 2.074 177.895 175.800 0.035 0.000 1.096 36 F CA 1.781 59.655 58.000 -0.211 0.000 1.255 36 F CB -0.311 38.447 39.000 -0.403 0.000 0.997 36 F HN 0.694 nan 8.300 nan 0.000 0.479 37 E N 0.033 120.261 120.200 0.046 0.000 2.152 37 E HA 0.057 4.407 4.350 -0.000 0.000 0.192 37 E C -0.245 176.368 176.600 0.022 0.000 0.983 37 E CA 0.782 57.196 56.400 0.023 0.000 0.818 37 E CB 0.073 29.814 29.700 0.068 0.000 0.758 37 E HN 0.298 nan 8.360 nan 0.000 0.467 38 L N -0.244 120.998 121.223 0.032 0.000 2.541 38 L HA 0.355 4.695 4.340 -0.000 0.000 0.266 38 L C -1.066 175.846 176.870 0.069 0.000 0.966 38 L CA -0.410 54.465 54.840 0.059 0.000 0.871 38 L CB 2.074 44.158 42.059 0.041 0.000 1.232 38 L HN -0.164 nan 8.230 nan 0.000 0.408 39 S N 1.567 117.323 115.700 0.093 0.000 2.537 39 S HA 0.522 4.992 4.470 -0.000 0.000 0.275 39 S C 0.832 175.505 174.600 0.122 0.000 1.272 39 S CA 0.276 58.539 58.200 0.106 0.000 1.050 39 S CB 0.818 64.082 63.200 0.108 0.000 0.961 39 S HN 0.789 nan 8.310 nan 0.000 0.496 40 T N 0.996 115.630 114.554 0.132 0.000 3.182 40 T HA 0.531 4.880 4.350 -0.000 0.000 0.277 40 T C 1.029 175.870 174.700 0.235 0.000 1.013 40 T CA 0.255 62.441 62.100 0.143 0.000 0.900 40 T CB 0.290 69.218 68.868 0.100 0.000 1.098 40 T HN 1.067 nan 8.240 nan 0.000 0.543 41 G N 1.319 110.225 108.800 0.177 0.000 3.465 41 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.219 41 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.219 41 G C 0.065 174.974 174.900 0.015 0.000 0.984 41 G CA -0.255 44.897 45.100 0.086 0.000 0.864 41 G HN 0.316 nan 8.290 nan 0.000 0.485 42 N N 1.652 120.396 118.700 0.073 0.000 2.688 42 N HA -0.143 4.597 4.740 -0.000 0.000 0.258 42 N C 0.360 175.841 175.510 -0.049 0.000 1.016 42 N CA 1.849 54.893 53.050 -0.010 0.000 0.747 42 N CB -1.355 37.075 38.487 -0.094 0.000 0.895 42 N HN 1.238 nan 8.380 nan 0.000 0.543 43 T N -2.286 112.286 114.554 0.031 0.000 2.949 43 T HA 0.787 5.137 4.350 -0.000 0.000 0.287 43 T C -0.079 174.679 174.700 0.096 0.000 1.034 43 T CA -0.816 61.270 62.100 -0.023 0.000 1.018 43 T CB 2.061 70.933 68.868 0.007 0.000 1.135 43 T HN 0.239 nan 8.240 nan 0.000 0.532 44 Y N -2.241 118.117 120.300 0.096 0.000 2.602 44 Y HA 0.760 5.310 4.550 -0.000 0.000 0.342 44 Y C -3.082 172.811 175.900 -0.012 0.000 1.029 44 Y CA -3.702 54.443 58.100 0.075 0.000 1.080 44 Y CB 0.190 38.686 38.460 0.060 0.000 1.284 44 Y HN 0.358 nan 8.280 nan 0.000 0.485 45 P HA 0.207 nan 4.420 nan 0.000 0.268 45 P C -0.730 176.585 177.300 0.023 0.000 1.282 45 P CA 0.184 63.224 63.100 -0.100 0.000 0.880 45 P CB 0.209 31.718 31.700 -0.319 0.000 0.971 46 A N 6.211 129.019 122.820 -0.021 0.000 2.527 46 A HA 0.328 4.648 4.320 -0.000 0.000 0.313 46 A C 0.282 177.819 177.584 -0.078 0.000 1.410 46 A CA -0.475 51.522 52.037 -0.067 0.000 1.060 46 A CB -0.539 18.218 19.000 -0.406 0.000 1.137 46 A HN 0.355 nan 8.150 nan 0.000 0.542 47 I N 1.990 122.553 120.570 -0.012 0.000 2.337 47 I HA 0.574 4.744 4.170 -0.000 0.000 0.291 47 I C 0.586 176.759 176.117 0.092 0.000 1.046 47 I CA 0.240 61.551 61.300 0.019 0.000 1.324 47 I CB -0.317 37.688 38.000 0.007 0.000 1.409 47 I HN 0.716 nan 8.210 nan 0.000 0.494 48 A N 7.107 130.023 122.820 0.160 0.000 2.522 48 A HA 0.657 4.977 4.320 -0.000 0.000 0.291 48 A C -0.688 177.155 177.584 0.432 0.000 1.039 48 A CA -0.892 51.277 52.037 0.220 0.000 0.643 48 A CB 1.413 20.333 19.000 -0.133 0.000 1.310 48 A HN 0.470 nan 8.150 nan 0.000 0.436 49 R N -0.111 120.553 120.500 0.273 0.000 2.528 49 R HA 0.520 4.859 4.340 -0.000 0.000 0.271 49 R C -2.696 173.500 176.300 -0.174 0.000 1.056 49 R CA -2.136 53.985 56.100 0.035 0.000 1.117 49 R CB -0.136 30.178 30.300 0.024 0.000 1.085 49 R HN 0.419 nan 8.270 nan 0.000 0.530 50 P HA -0.115 nan 4.420 nan 0.000 0.260 50 P C -0.321 176.822 177.300 -0.262 0.000 1.172 50 P CA 0.477 62.975 63.100 -1.004 0.000 0.760 50 P CB 0.173 31.092 31.700 -1.301 0.000 0.773 51 W N 0.573 121.885 121.300 0.020 0.000 5.538 51 W HA -0.158 4.502 4.660 -0.000 0.000 0.377 51 W C 0.719 177.349 176.519 0.186 0.000 1.406 51 W CA 0.718 58.152 57.345 0.149 0.000 0.940 51 W CB -2.406 27.167 29.460 0.189 0.000 2.536 51 W HN 0.463 nan 8.180 nan 0.000 1.504 52 G N 0.606 109.673 108.800 0.444 0.000 2.559 52 G HA2 0.184 4.143 3.960 -0.000 0.000 0.235 52 G HA3 0.184 4.143 3.960 -0.000 0.000 0.235 52 G C 0.819 175.854 174.900 0.224 0.000 1.266 52 G CA 0.248 45.571 45.100 0.372 0.000 0.847 52 G HN 0.280 nan 8.290 nan 0.000 0.583 53 M N 0.809 120.491 119.600 0.137 0.000 2.200 53 M HA 0.017 4.497 4.480 -0.000 0.000 0.265 53 M C 0.113 176.514 176.300 0.168 0.000 1.066 53 M CA 0.967 56.336 55.300 0.116 0.000 1.127 53 M CB 0.034 32.678 32.600 0.075 0.000 1.379 53 M HN 0.422 nan 8.290 nan 0.000 0.420 54 N N 0.022 118.811 118.700 0.148 0.000 2.354 54 N HA 0.296 5.035 4.740 -0.000 0.000 0.287 54 N C -1.572 174.034 175.510 0.160 0.000 1.016 54 N CA -0.315 52.731 53.050 -0.007 0.000 0.871 54 N CB 1.350 39.884 38.487 0.079 0.000 1.299 54 N HN -0.039 nan 8.380 nan 0.000 0.482 55 F N 0.566 120.341 119.950 -0.290 0.000 2.432 55 F HA 0.516 5.043 4.527 -0.000 0.000 0.329 55 F C -0.050 175.536 175.800 -0.358 0.000 1.076 55 F CA -1.207 56.710 58.000 -0.138 0.000 1.018 55 F CB 0.756 39.727 39.000 -0.048 0.000 1.201 55 F HN 0.307 nan 8.300 nan 0.000 0.489 56 W N 0.267 121.619 121.300 0.086 0.000 2.819 56 W HA 0.572 5.232 4.660 -0.000 0.000 0.337 56 W C -0.297 176.176 176.519 -0.076 0.000 1.077 56 W CA -0.622 56.697 57.345 -0.043 0.000 1.226 56 W CB 2.103 31.519 29.460 -0.073 0.000 1.419 56 W HN 0.425 nan 8.180 nan 0.000 0.502 57 T N 3.525 118.117 114.554 0.064 0.000 2.923 57 T HA 0.509 4.859 4.350 -0.000 0.000 0.311 57 T C -2.861 171.743 174.700 -0.161 0.000 1.183 57 T CA -2.260 59.778 62.100 -0.102 0.000 1.020 57 T CB 1.507 70.321 68.868 -0.091 0.000 1.165 57 T HN 0.097 nan 8.240 nan 0.000 0.482 58 P HA 0.160 nan 4.420 nan 0.000 0.268 58 P C -1.145 176.055 177.300 -0.167 0.000 1.205 58 P CA -0.123 62.734 63.100 -0.404 0.000 0.771 58 P CB 0.496 31.903 31.700 -0.487 0.000 0.858 59 Q N 1.365 121.023 119.800 -0.236 0.000 2.357 59 Q HA 0.278 4.618 4.340 -0.000 0.000 0.266 59 Q C 0.576 176.508 176.000 -0.113 0.000 1.021 59 Q CA -0.353 55.388 55.803 -0.104 0.000 0.784 59 Q CB 1.107 29.787 28.738 -0.096 0.000 1.243 59 Q HN 0.520 nan 8.270 nan 0.000 0.465 60 T N -0.379 114.147 114.554 -0.046 0.000 3.034 60 T HA 0.247 4.597 4.350 -0.000 0.000 0.248 60 T C 0.882 175.541 174.700 -0.069 0.000 1.040 60 T CA 0.385 62.431 62.100 -0.090 0.000 1.107 60 T CB 0.247 69.029 68.868 -0.143 0.000 0.932 60 T HN 0.496 nan 8.240 nan 0.000 0.474 61 G N 1.418 110.203 108.800 -0.025 0.000 2.539 61 G HA2 0.467 4.427 3.960 -0.000 0.000 0.258 61 G HA3 0.467 4.427 3.960 -0.000 0.000 0.258 61 G C -0.578 174.300 174.900 -0.037 0.000 1.202 61 G CA -0.833 44.261 45.100 -0.011 0.000 0.851 61 G HN 0.419 nan 8.290 nan 0.000 0.556 62 K N 0.619 120.990 120.400 -0.048 0.000 2.319 62 K HA 0.094 4.414 4.320 -0.000 0.000 0.265 62 K C 0.846 177.393 176.600 -0.090 0.000 1.000 62 K CA -0.293 55.946 56.287 -0.079 0.000 0.943 62 K CB 0.883 33.336 32.500 -0.079 0.000 0.950 62 K HN 0.563 nan 8.250 nan 0.000 0.485 63 M N 1.398 120.890 119.600 -0.180 0.000 2.255 63 M HA -0.139 4.341 4.480 -0.000 0.000 0.356 63 M C 0.828 177.039 176.300 -0.148 0.000 1.338 63 M CA 2.097 57.220 55.300 -0.295 0.000 0.962 63 M CB -0.204 32.014 32.600 -0.637 0.000 1.877 63 M HN 0.983 nan 8.290 nan 0.000 0.463 64 G N 2.938 111.719 108.800 -0.032 0.000 2.225 64 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.254 64 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.254 64 G C -0.120 174.800 174.900 0.032 0.000 0.988 64 G CA 0.305 45.416 45.100 0.018 0.000 0.625 64 G HN 0.843 nan 8.290 nan 0.000 0.527 65 D N 1.064 121.484 120.400 0.033 0.000 2.383 65 D HA 0.447 5.087 4.640 -0.000 0.000 0.252 65 D C 1.695 178.044 176.300 0.081 0.000 1.166 65 D CA 0.667 54.721 54.000 0.089 0.000 0.879 65 D CB 0.748 41.605 40.800 0.095 0.000 1.164 65 D HN 0.207 nan 8.370 nan 0.000 0.462 66 G N 3.677 112.520 108.800 0.072 0.000 2.470 66 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 66 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 66 G C 0.720 175.438 174.900 -0.303 0.000 1.121 66 G CA -0.157 44.829 45.100 -0.190 0.000 0.766 66 G HN 0.599 nan 8.290 nan 0.000 0.553 67 W N 2.362 123.607 121.300 -0.093 0.000 1.606 67 W HA 0.191 4.851 4.660 -0.000 0.000 0.455 67 W C 1.501 178.010 176.519 -0.017 0.000 0.711 67 W CA -0.351 56.965 57.345 -0.048 0.000 1.876 67 W CB -0.213 29.212 29.460 -0.059 0.000 1.776 67 W HN 0.553 nan 8.180 nan 0.000 0.229 68 Q N 0.615 120.461 119.800 0.077 0.000 2.230 68 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 68 Q C 0.007 176.085 176.000 0.130 0.000 0.963 68 Q CA 1.148 56.978 55.803 0.045 0.000 0.866 68 Q CB 0.034 28.718 28.738 -0.090 0.000 0.931 68 Q HN 0.344 nan 8.270 nan 0.000 0.452 69 Y N 1.578 121.922 120.300 0.073 0.000 2.346 69 Y HA 0.376 4.926 4.550 -0.000 0.000 0.332 69 Y C -1.216 174.808 175.900 0.207 0.000 0.985 69 Y CA -0.642 57.532 58.100 0.123 0.000 1.112 69 Y CB 2.063 40.606 38.460 0.139 0.000 1.170 69 Y HN 0.100 nan 8.280 nan 0.000 0.447 70 T N 1.911 116.358 114.554 -0.178 0.000 2.876 70 T HA 0.183 4.533 4.350 -0.000 0.000 0.289 70 T C 0.135 174.743 174.700 -0.155 0.000 1.014 70 T CA -0.574 61.516 62.100 -0.016 0.000 0.986 70 T CB 1.193 70.108 68.868 0.077 0.000 1.021 70 T HN 0.729 nan 8.240 nan 0.000 0.458 71 Y N 2.765 123.058 120.300 -0.011 0.000 2.333 71 Y HA -0.080 4.470 4.550 -0.000 0.000 0.290 71 Y C 2.604 178.593 175.900 0.147 0.000 1.144 71 Y CA 2.203 60.348 58.100 0.075 0.000 1.228 71 Y CB -0.136 38.349 38.460 0.043 0.000 0.985 71 Y HN 0.878 nan 8.280 nan 0.000 0.542 72 T N -1.715 112.932 114.554 0.155 0.000 3.129 72 T HA 0.368 4.717 4.350 -0.000 0.000 0.251 72 T C 0.773 175.416 174.700 -0.095 0.000 1.117 72 T CA 0.127 62.260 62.100 0.055 0.000 1.034 72 T CB -0.602 68.308 68.868 0.069 0.000 0.968 72 T HN 0.330 nan 8.240 nan 0.000 0.526 73 A N 1.921 124.659 122.820 -0.136 0.000 2.477 73 A HA 0.377 4.697 4.320 -0.000 0.000 0.246 73 A C 1.185 178.562 177.584 -0.346 0.000 1.078 73 A CA -0.553 51.363 52.037 -0.201 0.000 0.770 73 A CB 0.148 19.053 19.000 -0.158 0.000 1.011 73 A HN 0.333 nan 8.150 nan 0.000 0.494 74 N N 0.686 119.094 118.700 -0.488 0.000 2.376 74 N HA 0.013 4.753 4.740 -0.000 0.000 0.177 74 N C -0.127 174.968 175.510 -0.692 0.000 1.024 74 N CA 1.116 53.630 53.050 -0.892 0.000 0.893 74 N CB 0.050 37.656 38.487 -1.469 0.000 0.980 74 N HN 0.686 nan 8.380 nan 0.000 0.439 75 K N 0.056 120.266 120.400 -0.316 0.000 2.426 75 K HA 0.512 4.832 4.320 -0.000 0.000 0.251 75 K C -0.755 175.849 176.600 0.007 0.000 0.941 75 K CA -0.557 55.670 56.287 -0.100 0.000 0.808 75 K CB 2.659 35.006 32.500 -0.255 0.000 1.265 75 K HN -0.167 nan 8.250 nan 0.000 0.432 76 I N 2.488 123.031 120.570 -0.045 0.000 2.460 76 I HA 0.314 4.484 4.170 -0.000 0.000 0.298 76 I C 1.185 177.199 176.117 -0.171 0.000 0.989 76 I CA -0.389 60.774 61.300 -0.228 0.000 1.173 76 I CB 1.326 39.057 38.000 -0.448 0.000 1.338 76 I HN 0.715 nan 8.210 nan 0.000 0.456 77 R N 3.727 124.109 120.500 -0.197 0.000 2.531 77 R HA 0.481 4.821 4.340 -0.000 0.000 0.316 77 R C 0.048 176.263 176.300 -0.141 0.000 0.955 77 R CA -0.115 55.907 56.100 -0.131 0.000 1.120 77 R CB 1.079 31.312 30.300 -0.113 0.000 1.361 77 R HN 0.737 nan 8.270 nan 0.000 0.534 78 G N 0.579 109.228 108.800 -0.252 0.000 2.451 78 G HA2 0.455 4.415 3.960 -0.000 0.000 0.292 78 G HA3 0.455 4.415 3.960 -0.000 0.000 0.292 78 G C -1.960 172.666 174.900 -0.456 0.000 1.427 78 G CA -0.837 44.148 45.100 -0.192 0.000 0.792 78 G HN 0.020 nan 8.290 nan 0.000 0.498 79 F N 0.783 120.798 119.950 0.107 0.000 2.427 79 F HA 0.638 5.165 4.527 -0.000 0.000 0.348 79 F C 0.416 176.377 175.800 0.268 0.000 1.125 79 F CA -0.742 57.389 58.000 0.217 0.000 0.989 79 F CB 2.493 41.750 39.000 0.429 0.000 1.165 79 F HN 0.349 nan 8.300 nan 0.000 0.442 80 K N 3.391 123.927 120.400 0.226 0.000 2.292 80 K HA 0.314 4.634 4.320 -0.000 0.000 0.257 80 K C -0.757 175.460 176.600 -0.638 0.000 0.940 80 K CA -0.689 55.483 56.287 -0.191 0.000 0.811 80 K CB 1.556 33.916 32.500 -0.233 0.000 1.120 80 K HN 0.741 nan 8.250 nan 0.000 0.428 81 Q N 2.634 121.500 119.800 -1.557 0.000 2.297 81 Q HA 0.092 4.432 4.340 -0.000 0.000 0.267 81 Q C -1.053 174.282 176.000 -1.110 0.000 1.006 81 Q CA 0.392 55.003 55.803 -1.986 0.000 0.896 81 Q CB 1.139 28.556 28.738 -2.203 0.000 1.186 81 Q HN 0.663 nan 8.270 nan 0.000 0.392 82 T N 2.215 116.217 114.554 -0.921 0.000 2.883 82 T HA 0.406 4.756 4.350 -0.000 0.000 0.301 82 T C -0.915 173.296 174.700 -0.814 0.000 1.158 82 T CA -0.523 61.173 62.100 -0.673 0.000 1.007 82 T CB 0.999 69.548 68.868 -0.532 0.000 1.186 82 T HN 0.791 nan 8.240 nan 0.000 0.499 83 H N 0.392 119.236 119.070 -0.377 0.000 2.916 83 H HA 0.366 4.922 4.556 -0.000 0.000 0.262 83 H C 0.519 175.798 175.328 -0.081 0.000 1.178 83 H CA -0.394 55.430 56.048 -0.374 0.000 1.090 83 H CB 0.529 29.842 29.762 -0.748 0.000 1.657 83 H HN 0.467 nan 8.280 nan 0.000 0.601 84 Q N 3.253 123.102 119.800 0.082 0.000 2.300 84 Q HA 0.033 4.373 4.340 -0.000 0.000 0.280 84 Q C -1.702 174.557 176.000 0.432 0.000 1.033 84 Q CA -1.471 54.447 55.803 0.193 0.000 0.903 84 Q CB 1.154 29.924 28.738 0.053 0.000 1.195 84 Q HN 0.175 nan 8.270 nan 0.000 0.386 85 P HA 0.061 nan 4.420 nan 0.000 0.238 85 P C -0.734 176.549 177.300 -0.029 0.000 1.183 85 P CA 0.387 63.502 63.100 0.025 0.000 0.813 85 P CB 0.604 32.402 31.700 0.163 0.000 0.944 86 S N -2.394 113.324 115.700 0.029 0.000 2.578 86 S HA 0.386 4.856 4.470 -0.000 0.000 0.272 86 S C -2.727 171.734 174.600 -0.232 0.000 1.145 86 S CA -1.072 57.098 58.200 -0.050 0.000 0.835 86 S CB 1.326 64.586 63.200 0.101 0.000 1.104 86 S HN -0.241 nan 8.310 nan 0.000 0.458 87 P HA 0.030 nan 4.420 nan 0.000 0.226 87 P C 0.491 177.327 177.300 -0.773 0.000 1.153 87 P CA 0.889 63.411 63.100 -0.963 0.000 0.777 87 P CB -0.217 30.292 31.700 -1.985 0.000 0.794 88 W N -0.465 120.713 121.300 -0.204 0.000 2.480 88 W HA 0.078 4.738 4.660 -0.000 0.000 0.299 88 W C 2.311 178.753 176.519 -0.128 0.000 1.187 88 W CA -0.187 57.098 57.345 -0.100 0.000 1.347 88 W CB -0.928 28.495 29.460 -0.061 0.000 1.121 88 W HN -0.243 nan 8.180 nan 0.000 0.533 89 I N 0.326 120.900 120.570 0.006 0.000 2.439 89 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 89 I C 1.235 177.316 176.117 -0.059 0.000 1.139 89 I CA 1.197 62.414 61.300 -0.137 0.000 1.438 89 I CB -1.447 36.354 38.000 -0.331 0.000 1.085 89 I HN 0.202 nan 8.210 nan 0.000 0.427 90 N N 0.854 119.523 118.700 -0.052 0.000 6.681 90 N HA -0.214 4.526 4.740 -0.000 0.000 0.407 90 N C -0.295 175.241 175.510 0.043 0.000 0.934 90 N CA 0.995 54.030 53.050 -0.026 0.000 1.206 90 N CB -0.508 37.976 38.487 -0.004 0.000 0.835 90 N HN 0.172 nan 8.380 nan 0.000 0.310 91 D N -0.806 119.632 120.400 0.063 0.000 2.392 91 D HA 0.757 5.397 4.640 -0.000 0.000 0.246 91 D C -0.762 175.655 176.300 0.196 0.000 1.013 91 D CA 0.083 54.123 54.000 0.067 0.000 0.993 91 D CB 0.935 41.733 40.800 -0.002 0.000 1.219 91 D HN 0.454 nan 8.370 nan 0.000 0.538 92 Y N -2.840 117.540 120.300 0.134 0.000 2.713 92 Y HA 0.468 5.018 4.550 -0.000 0.000 0.335 92 Y C 0.186 176.316 175.900 0.384 0.000 1.222 92 Y CA -1.039 57.169 58.100 0.179 0.000 1.061 92 Y CB 0.668 39.120 38.460 -0.012 0.000 1.314 92 Y HN 0.523 nan 8.280 nan 0.000 0.453 93 G N 2.166 111.422 108.800 0.759 0.000 2.370 93 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.293 93 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.293 93 G C -0.777 174.303 174.900 0.300 0.000 0.992 93 G CA 0.509 45.973 45.100 0.607 0.000 1.247 93 G HN 1.036 nan 8.290 nan 0.000 0.505 94 Q N -0.511 119.352 119.800 0.105 0.000 2.304 94 Q HA 0.822 5.162 4.340 -0.000 0.000 0.270 94 Q C -0.460 175.181 176.000 -0.600 0.000 1.035 94 Q CA -1.287 54.307 55.803 -0.349 0.000 0.781 94 Q CB 2.022 30.498 28.738 -0.437 0.000 1.261 94 Q HN 0.999 nan 8.270 nan 0.000 0.444 95 F N -0.717 118.724 119.950 -0.848 0.000 2.685 95 F HA 0.860 5.387 4.527 -0.000 0.000 0.315 95 F C -1.121 174.374 175.800 -0.508 0.000 1.126 95 F CA -0.790 56.755 58.000 -0.758 0.000 0.950 95 F CB 1.516 40.179 39.000 -0.560 0.000 1.360 95 F HN 0.706 nan 8.300 nan 0.000 0.469 96 S N 1.493 117.164 115.700 -0.050 0.000 2.661 96 S HA 0.853 5.323 4.470 -0.000 0.000 0.285 96 S C -1.555 173.159 174.600 0.191 0.000 1.138 96 S CA -0.745 57.477 58.200 0.036 0.000 0.855 96 S CB 2.053 65.346 63.200 0.155 0.000 1.136 96 S HN 1.158 nan 8.310 nan 0.000 0.484 97 I N 0.659 121.336 120.570 0.178 0.000 2.828 97 I HA 0.795 4.965 4.170 -0.000 0.000 0.302 97 I C -1.988 174.222 176.117 0.155 0.000 1.101 97 I CA -1.294 60.075 61.300 0.115 0.000 1.031 97 I CB 2.198 40.171 38.000 -0.046 0.000 1.231 97 I HN 0.915 nan 8.210 nan 0.000 0.427 98 M N 9.223 128.867 119.600 0.073 0.000 2.298 98 M HA 0.486 4.966 4.480 -0.000 0.000 0.255 98 M C -2.934 173.321 176.300 -0.074 0.000 1.021 98 M CA -1.381 53.983 55.300 0.107 0.000 0.968 98 M CB 1.986 34.622 32.600 0.060 0.000 2.037 98 M HN 0.107 nan 8.290 nan 0.000 0.478 99 P HA 0.642 nan 4.420 nan 0.000 0.278 99 P C -1.035 176.177 177.300 -0.146 0.000 1.238 99 P CA -0.300 62.632 63.100 -0.280 0.000 0.794 99 P CB 0.724 32.071 31.700 -0.589 0.000 0.955 100 I N -0.832 119.681 120.570 -0.095 0.000 3.149 100 I HA 0.771 4.941 4.170 -0.000 0.000 0.310 100 I C -1.215 174.870 176.117 -0.053 0.000 1.343 100 I CA -1.488 59.550 61.300 -0.436 0.000 0.955 100 I CB 2.163 39.885 38.000 -0.464 0.000 1.309 100 I HN 0.256 nan 8.210 nan 0.000 0.478 101 V N -0.385 119.480 119.914 -0.082 0.000 3.130 101 V HA 1.040 5.160 4.120 -0.000 0.000 0.310 101 V C 0.196 176.401 176.094 0.184 0.000 1.158 101 V CA 0.467 62.857 62.300 0.150 0.000 1.029 101 V CB 0.846 32.792 31.823 0.206 0.000 1.057 101 V HN 2.060 nan 8.190 nan 0.000 0.436 102 G N 1.632 110.559 108.800 0.210 0.000 3.110 102 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.238 102 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.238 102 G C -0.430 174.536 174.900 0.109 0.000 1.647 102 G CA 0.145 45.342 45.100 0.161 0.000 1.146 102 G HN 1.174 nan 8.290 nan 0.000 0.545 103 Q N 2.253 122.055 119.800 0.004 0.000 2.222 103 Q HA 0.512 4.852 4.340 -0.000 0.000 0.252 103 Q C -2.489 173.305 176.000 -0.342 0.000 0.926 103 Q CA -1.834 53.880 55.803 -0.149 0.000 0.899 103 Q CB 1.766 30.434 28.738 -0.118 0.000 1.250 103 Q HN 0.496 nan 8.270 nan 0.000 0.441 104 P HA 0.060 nan 4.420 nan 0.000 0.273 104 P C -0.482 176.585 177.300 -0.389 0.000 1.428 104 P CA -0.091 62.453 63.100 -0.928 0.000 0.995 104 P CB 0.090 31.058 31.700 -1.221 0.000 1.286 105 V N 1.003 120.767 119.914 -0.250 0.000 2.513 105 V HA 0.445 4.565 4.120 -0.000 0.000 0.299 105 V C 0.465 176.540 176.094 -0.033 0.000 1.035 105 V CA -0.671 61.568 62.300 -0.101 0.000 0.889 105 V CB 1.675 33.458 31.823 -0.067 0.000 0.988 105 V HN 0.264 nan 8.190 nan 0.000 0.440 106 F N 1.945 121.820 119.950 -0.126 0.000 2.622 106 F HA 0.346 4.873 4.527 -0.000 0.000 0.288 106 F C 1.220 176.973 175.800 -0.077 0.000 1.120 106 F CA -0.001 57.934 58.000 -0.110 0.000 1.423 106 F CB 0.200 39.122 39.000 -0.130 0.000 1.127 106 F HN 0.800 nan 8.300 nan 0.000 0.588 107 D N 1.541 121.942 120.400 0.001 0.000 2.531 107 D HA -0.131 4.509 4.640 -0.000 0.000 0.239 107 D C 1.376 177.582 176.300 -0.156 0.000 1.144 107 D CA 0.659 54.632 54.000 -0.046 0.000 0.869 107 D CB 0.608 41.408 40.800 0.001 0.000 1.160 107 D HN 0.611 nan 8.370 nan 0.000 0.484 108 E N 2.442 122.534 120.200 -0.180 0.000 2.401 108 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 108 E C 0.732 177.263 176.600 -0.115 0.000 1.023 108 E CA 1.067 57.356 56.400 -0.185 0.000 0.859 108 E CB 0.034 29.630 29.700 -0.174 0.000 0.780 108 E HN 0.660 nan 8.360 nan 0.000 0.523 109 E N 0.618 120.770 120.200 -0.081 0.000 2.162 109 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 109 E C 1.765 178.345 176.600 -0.034 0.000 0.953 109 E CA 0.263 56.628 56.400 -0.058 0.000 0.849 109 E CB 0.146 29.817 29.700 -0.049 0.000 0.810 109 E HN 0.033 nan 8.360 nan 0.000 0.470 110 K N 1.340 121.724 120.400 -0.026 0.000 2.147 110 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 110 K C 2.129 178.747 176.600 0.029 0.000 1.049 110 K CA 1.112 57.399 56.287 -0.000 0.000 0.936 110 K CB -0.049 32.447 32.500 -0.006 0.000 0.722 110 K HN 0.075 nan 8.250 nan 0.000 0.446 111 R N -0.174 120.327 120.500 0.002 0.000 2.246 111 R HA 0.262 4.602 4.340 -0.000 0.000 0.199 111 R C 0.558 176.949 176.300 0.151 0.000 0.984 111 R CA 0.346 56.472 56.100 0.042 0.000 1.015 111 R CB -0.086 30.172 30.300 -0.070 0.000 0.930 111 R HN -0.017 nan 8.270 nan 0.000 0.475 112 A N 1.473 124.327 122.820 0.057 0.000 2.492 112 A HA 0.242 4.562 4.320 -0.000 0.000 0.236 112 A C -0.165 177.445 177.584 0.043 0.000 1.078 112 A CA 0.293 52.347 52.037 0.028 0.000 0.773 112 A CB 0.542 19.515 19.000 -0.046 0.000 1.023 112 A HN 0.396 nan 8.150 nan 0.000 0.504 113 S N 0.001 115.711 115.700 0.016 0.000 2.541 113 S HA 0.508 4.978 4.470 -0.000 0.000 0.280 113 S C -0.914 173.738 174.600 0.087 0.000 1.112 113 S CA -0.584 57.613 58.200 -0.006 0.000 0.925 113 S CB 0.303 63.470 63.200 -0.055 0.000 1.067 113 S HN 0.587 nan 8.310 nan 0.000 0.479 114 W N 4.140 125.426 121.300 -0.024 0.000 2.274 114 W HA 0.331 4.991 4.660 -0.000 0.000 0.345 114 W C 0.236 176.836 176.519 0.135 0.000 1.265 114 W CA 0.660 58.015 57.345 0.016 0.000 1.293 114 W CB 0.269 29.695 29.460 -0.057 0.000 1.175 114 W HN 0.579 nan 8.180 nan 0.000 0.577 115 F N 0.429 120.475 119.950 0.160 0.000 2.789 115 F HA 0.884 5.411 4.527 -0.000 0.000 0.319 115 F C -1.090 174.749 175.800 0.065 0.000 1.168 115 F CA -1.961 56.098 58.000 0.098 0.000 0.934 115 F CB 0.568 39.588 39.000 0.033 0.000 1.375 115 F HN 0.423 nan 8.300 nan 0.000 0.480 116 A N -0.098 122.636 122.820 -0.142 0.000 2.515 116 A HA 0.562 4.882 4.320 -0.000 0.000 0.296 116 A C -0.160 177.312 177.584 -0.187 0.000 1.094 116 A CA -0.710 51.088 52.037 -0.397 0.000 0.718 116 A CB 0.652 19.594 19.000 -0.097 0.000 1.307 116 A HN 0.970 nan 8.150 nan 0.000 0.408 117 H N 0.622 119.656 119.070 -0.059 0.000 2.491 117 H HA -0.030 4.525 4.556 -0.000 0.000 0.290 117 H C 0.893 176.299 175.328 0.130 0.000 1.050 117 H CA 1.613 57.722 56.048 0.100 0.000 1.309 117 H CB 0.237 30.007 29.762 0.014 0.000 1.392 117 H HN 0.636 nan 8.280 nan 0.000 0.554 118 K N 0.212 120.716 120.400 0.174 0.000 2.486 118 K HA 0.036 4.355 4.320 -0.000 0.000 0.194 118 K C 1.664 178.333 176.600 0.116 0.000 1.033 118 K CA 0.475 56.842 56.287 0.133 0.000 1.004 118 K CB 0.445 33.004 32.500 0.098 0.000 0.798 118 K HN 0.144 nan 8.250 nan 0.000 0.495 119 G N 1.098 109.989 108.800 0.151 0.000 3.434 119 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.258 119 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.258 119 G C -0.375 174.628 174.900 0.171 0.000 1.128 119 G CA -0.165 45.038 45.100 0.172 0.000 0.792 119 G HN 0.147 nan 8.290 nan 0.000 0.539 120 E N 0.260 120.546 120.200 0.144 0.000 2.272 120 E HA 0.534 4.884 4.350 -0.000 0.000 0.269 120 E C -1.648 174.933 176.600 -0.031 0.000 0.877 120 E CA -0.559 55.873 56.400 0.052 0.000 0.755 120 E CB 2.690 32.533 29.700 0.238 0.000 1.192 120 E HN -0.114 nan 8.360 nan 0.000 0.422 121 V N 2.489 122.267 119.914 -0.228 0.000 2.483 121 V HA 0.675 4.795 4.120 -0.000 0.000 0.297 121 V C -0.611 175.294 176.094 -0.315 0.000 1.027 121 V CA -0.607 61.594 62.300 -0.165 0.000 0.855 121 V CB 1.300 33.097 31.823 -0.043 0.000 0.995 121 V HN 0.744 nan 8.190 nan 0.000 0.424 122 A N 3.689 126.429 122.820 -0.132 0.000 2.319 122 A HA 0.914 5.233 4.320 -0.000 0.000 0.310 122 A C 0.003 177.505 177.584 -0.137 0.000 1.152 122 A CA -0.273 51.730 52.037 -0.056 0.000 0.783 122 A CB 1.430 20.511 19.000 0.135 0.000 1.184 122 A HN 0.943 nan 8.150 nan 0.000 0.474 123 T N -0.381 114.026 114.554 -0.246 0.000 2.887 123 T HA 0.709 5.059 4.350 -0.000 0.000 0.292 123 T C -2.420 171.970 174.700 -0.516 0.000 1.087 123 T CA -1.771 60.049 62.100 -0.466 0.000 1.009 123 T CB 1.856 70.241 68.868 -0.805 0.000 1.203 123 T HN 0.159 nan 8.240 nan 0.000 0.518 124 P HA -0.017 nan 4.420 nan 0.000 0.222 124 P C 0.823 178.024 177.300 -0.165 0.000 1.147 124 P CA 1.108 63.870 63.100 -0.565 0.000 0.790 124 P CB -0.361 30.613 31.700 -1.210 0.000 0.780 125 Y N -4.037 116.251 120.300 -0.019 0.000 2.481 125 Y HA 0.510 5.060 4.550 -0.000 0.000 0.247 125 Y C 0.149 176.148 175.900 0.165 0.000 1.151 125 Y CA -1.194 56.998 58.100 0.153 0.000 1.238 125 Y CB 0.002 38.583 38.460 0.201 0.000 1.179 125 Y HN -0.195 nan 8.280 nan 0.000 0.524 126 Y N 0.550 120.639 120.300 -0.352 0.000 2.424 126 Y HA 0.469 5.019 4.550 -0.000 0.000 0.323 126 Y C -2.428 173.361 175.900 -0.185 0.000 1.174 126 Y CA -2.208 55.756 58.100 -0.225 0.000 1.060 126 Y CB 1.054 39.383 38.460 -0.217 0.000 1.314 126 Y HN 0.071 nan 8.280 nan 0.000 0.439 127 Y N 6.197 125.991 120.300 -0.842 0.000 2.442 127 Y HA 0.657 5.207 4.550 -0.000 0.000 0.344 127 Y C -1.541 173.881 175.900 -0.796 0.000 0.976 127 Y CA -0.844 56.872 58.100 -0.639 0.000 1.040 127 Y CB 1.611 39.885 38.460 -0.310 0.000 1.228 127 Y HN 0.702 nan 8.280 nan 0.000 0.451 128 K N 5.041 124.793 120.400 -1.081 0.000 2.498 128 K HA 0.804 5.124 4.320 -0.000 0.000 0.254 128 K C -2.470 173.823 176.600 -0.511 0.000 0.933 128 K CA -0.853 55.062 56.287 -0.620 0.000 0.806 128 K CB 2.396 34.688 32.500 -0.347 0.000 1.301 128 K HN 0.574 nan 8.250 nan 0.000 0.432 129 V N 3.935 123.785 119.914 -0.106 0.000 3.000 129 V HA 0.386 4.506 4.120 -0.000 0.000 0.300 129 V C -2.142 174.087 176.094 0.225 0.000 1.251 129 V CA -0.726 61.618 62.300 0.073 0.000 0.972 129 V CB 1.812 33.744 31.823 0.182 0.000 1.065 129 V HN 0.806 nan 8.190 nan 0.000 0.431 130 Y N 6.222 126.597 120.300 0.125 0.000 2.341 130 Y HA 0.629 5.179 4.550 -0.000 0.000 0.340 130 Y C -0.260 175.758 175.900 0.197 0.000 0.997 130 Y CA -0.798 57.384 58.100 0.137 0.000 1.149 130 Y CB 1.243 39.768 38.460 0.107 0.000 1.171 130 Y HN 0.599 nan 8.280 nan 0.000 0.494 131 L N 7.836 128.910 121.223 -0.249 0.000 2.356 131 L HA 0.315 4.655 4.340 -0.000 0.000 0.282 131 L C 1.324 177.905 176.870 -0.481 0.000 1.132 131 L CA -0.135 54.609 54.840 -0.161 0.000 0.923 131 L CB 0.507 42.605 42.059 0.064 0.000 1.278 131 L HN 0.926 nan 8.230 nan 0.000 0.436 132 A N 2.338 124.943 122.820 -0.359 0.000 2.076 132 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 132 A C 1.967 179.434 177.584 -0.194 0.000 1.160 132 A CA 1.351 53.194 52.037 -0.324 0.000 0.653 132 A CB -0.165 18.838 19.000 0.005 0.000 0.801 132 A HN 0.790 nan 8.150 nan 0.000 0.455 133 E N -1.513 118.563 120.200 -0.207 0.000 2.385 133 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 133 E C 0.807 177.213 176.600 -0.323 0.000 1.013 133 E CA 0.474 56.718 56.400 -0.261 0.000 0.866 133 E CB 0.034 29.554 29.700 -0.300 0.000 0.832 133 E HN 0.735 nan 8.360 nan 0.000 0.500 134 H N -0.409 118.643 119.070 -0.029 0.000 2.893 134 H HA 0.057 4.613 4.556 -0.000 0.000 0.270 134 H C -0.030 175.301 175.328 0.006 0.000 1.095 134 H CA 0.210 56.267 56.048 0.015 0.000 1.186 134 H CB 0.591 30.377 29.762 0.041 0.000 1.562 134 H HN 0.050 nan 8.280 nan 0.000 0.536 135 D N 1.038 121.421 120.400 -0.028 0.000 2.699 135 D HA -0.178 4.462 4.640 -0.000 0.000 0.239 135 D C -0.678 175.704 176.300 0.136 0.000 1.136 135 D CA 0.328 54.364 54.000 0.059 0.000 0.668 135 D CB -1.613 39.303 40.800 0.195 0.000 1.060 135 D HN 0.424 nan 8.370 nan 0.000 0.429 136 I N -0.024 120.546 120.570 0.001 0.000 2.465 136 I HA 0.344 4.514 4.170 -0.000 0.000 0.291 136 I C 0.373 176.552 176.117 0.102 0.000 1.014 136 I CA -1.276 60.041 61.300 0.030 0.000 1.093 136 I CB 2.100 40.056 38.000 -0.074 0.000 1.267 136 I HN -0.231 nan 8.210 nan 0.000 0.431 137 V N 4.738 124.750 119.914 0.163 0.000 2.465 137 V HA 0.365 4.484 4.120 -0.000 0.000 0.279 137 V C 0.196 176.329 176.094 0.066 0.000 1.045 137 V CA -0.135 62.272 62.300 0.179 0.000 0.938 137 V CB 1.527 33.446 31.823 0.160 0.000 0.986 137 V HN 0.737 nan 8.190 nan 0.000 0.467 138 T N 5.033 119.613 114.554 0.043 0.000 2.829 138 T HA 0.557 4.907 4.350 -0.000 0.000 0.280 138 T C -0.559 174.022 174.700 -0.199 0.000 0.999 138 T CA -0.556 61.482 62.100 -0.104 0.000 0.983 138 T CB 1.390 70.059 68.868 -0.331 0.000 0.968 138 T HN 0.754 nan 8.240 nan 0.000 0.446 139 E N 2.510 122.527 120.200 -0.304 0.000 2.288 139 E HA 0.698 5.048 4.350 -0.000 0.000 0.268 139 E C -0.672 175.615 176.600 -0.521 0.000 0.885 139 E CA -0.895 55.278 56.400 -0.377 0.000 0.767 139 E CB 2.305 31.876 29.700 -0.216 0.000 1.220 139 E HN 0.648 nan 8.360 nan 0.000 0.427 140 M N -0.387 118.854 119.600 -0.598 0.000 2.413 140 M HA 0.553 5.033 4.480 -0.000 0.000 0.287 140 M C -1.495 174.519 176.300 -0.475 0.000 1.186 140 M CA -0.763 54.068 55.300 -0.783 0.000 0.927 140 M CB 2.246 34.056 32.600 -1.317 0.000 1.715 140 M HN 0.385 nan 8.290 nan 0.000 0.478 141 T N 0.570 114.889 114.554 -0.392 0.000 2.965 141 T HA 0.715 5.065 4.350 -0.000 0.000 0.306 141 T C -3.157 171.447 174.700 -0.160 0.000 0.991 141 T CA -1.295 60.728 62.100 -0.129 0.000 1.001 141 T CB 1.587 70.477 68.868 0.036 0.000 0.984 141 T HN 0.605 nan 8.240 nan 0.000 0.446 142 P HA 0.415 nan 4.420 nan 0.000 0.287 142 P C 0.127 177.477 177.300 0.083 0.000 1.270 142 P CA -0.284 62.808 63.100 -0.013 0.000 0.844 142 P CB 1.593 33.367 31.700 0.123 0.000 1.068 143 T N -2.037 112.573 114.554 0.092 0.000 2.898 143 T HA 0.281 4.631 4.350 -0.000 0.000 0.283 143 T C 1.262 176.056 174.700 0.155 0.000 1.059 143 T CA -0.368 61.799 62.100 0.112 0.000 0.958 143 T CB 0.233 69.151 68.868 0.085 0.000 1.594 143 T HN 0.316 nan 8.240 nan 0.000 0.598 144 E N 0.351 120.630 120.200 0.131 0.000 2.077 144 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 144 E C 1.982 178.683 176.600 0.168 0.000 0.989 144 E CA 1.038 57.524 56.400 0.143 0.000 0.800 144 E CB -0.003 29.754 29.700 0.094 0.000 0.746 144 E HN 0.466 nan 8.360 nan 0.000 0.452 145 R N -1.265 119.328 120.500 0.155 0.000 2.531 145 R HA 0.376 4.716 4.340 -0.000 0.000 0.316 145 R C -0.084 176.356 176.300 0.233 0.000 0.955 145 R CA -0.079 56.124 56.100 0.172 0.000 1.120 145 R CB 1.581 31.945 30.300 0.106 0.000 1.361 145 R HN -0.069 nan 8.270 nan 0.000 0.534 146 A N 0.628 123.580 122.820 0.219 0.000 2.485 146 A HA 0.798 5.118 4.320 -0.000 0.000 0.292 146 A C -1.376 176.274 177.584 0.109 0.000 1.147 146 A CA -0.685 51.472 52.037 0.200 0.000 0.750 146 A CB 2.317 21.391 19.000 0.123 0.000 1.331 146 A HN -0.045 nan 8.150 nan 0.000 0.419 147 V N 0.388 120.274 119.914 -0.046 0.000 2.969 147 V HA 0.617 4.737 4.120 -0.000 0.000 0.304 147 V C -1.975 173.935 176.094 -0.306 0.000 1.192 147 V CA -0.566 61.527 62.300 -0.345 0.000 0.962 147 V CB 1.879 33.084 31.823 -1.029 0.000 1.045 147 V HN 1.206 nan 8.190 nan 0.000 0.428 148 L N 6.134 127.159 121.223 -0.331 0.000 2.295 148 L HA 0.728 5.068 4.340 -0.000 0.000 0.285 148 L C -1.240 175.365 176.870 -0.442 0.000 1.035 148 L CA 0.268 54.954 54.840 -0.257 0.000 0.806 148 L CB 1.217 43.181 42.059 -0.157 0.000 1.214 148 L HN 0.572 nan 8.230 nan 0.000 0.426 149 F N 4.224 123.933 119.950 -0.401 0.000 2.492 149 F HA 0.648 5.175 4.527 -0.000 0.000 0.327 149 F C 0.158 175.579 175.800 -0.632 0.000 1.079 149 F CA -0.443 57.193 58.000 -0.607 0.000 0.967 149 F CB 1.603 40.147 39.000 -0.762 0.000 1.169 149 F HN 0.421 nan 8.300 nan 0.000 0.472 150 R N 3.465 123.652 120.500 -0.522 0.000 2.483 150 R HA 0.493 4.832 4.340 -0.000 0.000 0.303 150 R C -2.092 173.905 176.300 -0.506 0.000 0.987 150 R CA -0.469 55.390 56.100 -0.401 0.000 0.881 150 R CB 0.783 30.980 30.300 -0.173 0.000 1.177 150 R HN 0.551 nan 8.270 nan 0.000 0.451 151 F N 2.174 122.131 119.950 0.011 0.000 2.415 151 F HA 0.344 4.871 4.527 -0.000 0.000 0.348 151 F C 0.331 176.034 175.800 -0.161 0.000 1.119 151 F CA -0.794 57.108 58.000 -0.163 0.000 1.069 151 F CB 2.390 41.224 39.000 -0.277 0.000 1.124 151 F HN 0.271 nan 8.300 nan 0.000 0.472 152 T N 4.552 119.088 114.554 -0.030 0.000 2.853 152 T HA 0.384 4.734 4.350 -0.000 0.000 0.317 152 T C -0.447 174.252 174.700 -0.003 0.000 1.059 152 T CA -0.363 61.760 62.100 0.038 0.000 0.954 152 T CB -0.237 68.671 68.868 0.067 0.000 0.994 152 T HN 0.162 nan 8.240 nan 0.000 0.479 153 F N 5.084 125.128 119.950 0.158 0.000 2.370 153 F HA 0.458 4.985 4.527 -0.000 0.000 0.324 153 F C -1.521 174.347 175.800 0.115 0.000 1.116 153 F CA -2.034 56.050 58.000 0.140 0.000 1.123 153 F CB 0.973 40.044 39.000 0.118 0.000 1.238 153 F HN 0.313 nan 8.300 nan 0.000 0.536 154 P HA 0.100 nan 4.420 nan 0.000 0.297 154 P C -1.286 176.116 177.300 0.171 0.000 1.307 154 P CA -0.634 62.594 63.100 0.213 0.000 0.773 154 P CB 0.571 32.387 31.700 0.194 0.000 1.265 155 E N 0.942 121.208 120.200 0.110 0.000 2.328 155 E HA 0.094 4.443 4.350 -0.000 0.000 0.265 155 E C -0.598 176.033 176.600 0.052 0.000 1.057 155 E CA -0.014 56.424 56.400 0.064 0.000 0.916 155 E CB -0.287 29.440 29.700 0.046 0.000 0.993 155 E HN 0.250 nan 8.360 nan 0.000 0.446 156 N N 3.688 122.395 118.700 0.012 0.000 2.555 156 N HA 0.040 4.779 4.740 -0.000 0.000 0.265 156 N C -0.848 174.588 175.510 -0.123 0.000 1.135 156 N CA -0.489 52.548 53.050 -0.022 0.000 0.925 156 N CB 1.741 40.246 38.487 0.029 0.000 1.662 156 N HN 0.429 nan 8.380 nan 0.000 0.489 157 D N -0.140 120.133 120.400 -0.211 0.000 2.277 157 D HA -0.016 4.623 4.640 -0.000 0.000 0.208 157 D C -0.231 175.688 176.300 -0.635 0.000 0.962 157 D CA 1.312 55.060 54.000 -0.420 0.000 0.865 157 D CB 0.169 40.654 40.800 -0.525 0.000 0.939 157 D HN 0.396 nan 8.370 nan 0.000 0.510 158 H N 0.148 119.111 119.070 -0.178 0.000 2.645 158 H HA 0.420 4.976 4.556 -0.000 0.000 0.257 158 H C -0.406 174.599 175.328 -0.538 0.000 1.269 158 H CA -0.264 55.560 56.048 -0.374 0.000 1.409 158 H CB 0.427 30.122 29.762 -0.112 0.000 1.434 158 H HN -0.201 nan 8.280 nan 0.000 0.505 159 S N 2.385 117.676 115.700 -0.682 0.000 2.501 159 S HA 0.644 5.113 4.470 -0.000 0.000 0.301 159 S C -0.746 173.232 174.600 -1.038 0.000 1.096 159 S CA -0.584 57.243 58.200 -0.621 0.000 1.063 159 S CB 1.322 64.094 63.200 -0.713 0.000 1.042 159 S HN 0.371 nan 8.310 nan 0.000 0.494 160 Y N -0.352 119.796 120.300 -0.254 0.000 2.609 160 Y HA 0.634 5.184 4.550 -0.000 0.000 0.342 160 Y C -0.568 175.226 175.900 -0.176 0.000 1.058 160 Y CA -1.173 56.716 58.100 -0.351 0.000 1.055 160 Y CB 1.319 39.584 38.460 -0.324 0.000 1.292 160 Y HN 0.331 nan 8.280 nan 0.000 0.476 161 V N 2.405 122.276 119.914 -0.072 0.000 2.487 161 V HA 0.485 4.605 4.120 -0.000 0.000 0.298 161 V C -0.778 175.302 176.094 -0.023 0.000 1.028 161 V CA -0.901 61.365 62.300 -0.057 0.000 0.860 161 V CB 1.681 33.539 31.823 0.058 0.000 0.991 161 V HN 0.545 nan 8.190 nan 0.000 0.427 162 V N 5.570 125.481 119.914 -0.005 0.000 2.427 162 V HA 0.464 4.583 4.120 -0.000 0.000 0.286 162 V C -0.107 176.054 176.094 0.112 0.000 1.034 162 V CA -0.432 61.895 62.300 0.046 0.000 0.893 162 V CB 1.867 33.683 31.823 -0.012 0.000 0.982 162 V HN 0.621 nan 8.190 nan 0.000 0.452 163 V N 3.930 123.954 119.914 0.184 0.000 2.459 163 V HA 0.474 4.593 4.120 -0.000 0.000 0.295 163 V C -0.525 175.762 176.094 0.322 0.000 1.029 163 V CA -0.500 61.940 62.300 0.233 0.000 0.874 163 V CB 1.916 33.886 31.823 0.244 0.000 0.985 163 V HN 0.868 nan 8.190 nan 0.000 0.438 164 D N 3.439 124.040 120.400 0.335 0.000 2.471 164 D HA 0.540 5.180 4.640 -0.000 0.000 0.245 164 D C 0.484 177.111 176.300 0.545 0.000 1.116 164 D CA -0.319 53.970 54.000 0.481 0.000 0.853 164 D CB 2.170 43.212 40.800 0.404 0.000 1.123 164 D HN 0.560 nan 8.370 nan 0.000 0.540 165 A N 3.662 126.806 122.820 0.540 0.000 2.218 165 A HA 0.288 4.608 4.320 -0.000 0.000 0.209 165 A C 0.363 178.350 177.584 0.671 0.000 1.168 165 A CA 0.116 52.471 52.037 0.529 0.000 0.804 165 A CB -0.377 18.916 19.000 0.488 0.000 0.834 165 A HN 0.560 nan 8.150 nan 0.000 0.482 166 F N -0.950 119.268 119.950 0.447 0.000 2.183 166 F HA -0.157 4.370 4.527 -0.000 0.000 0.318 166 F C 0.364 176.220 175.800 0.093 0.000 1.154 166 F CA 0.291 58.418 58.000 0.213 0.000 0.912 166 F CB -0.863 38.234 39.000 0.163 0.000 4.135 166 F HN 0.542 nan 8.300 nan 0.000 0.137 167 D N 0.641 120.982 120.400 -0.099 0.000 2.511 167 D HA 0.433 5.073 4.640 -0.000 0.000 0.283 167 D C 0.173 176.535 176.300 0.104 0.000 1.198 167 D CA 0.170 54.131 54.000 -0.064 0.000 1.097 167 D CB 0.284 40.929 40.800 -0.258 0.000 1.160 167 D HN 0.427 nan 8.370 nan 0.000 0.589 168 K N -1.419 119.031 120.400 0.083 0.000 3.130 168 K HA -0.025 4.295 4.320 -0.000 0.000 0.282 168 K C 0.412 177.108 176.600 0.159 0.000 1.145 168 K CA 1.142 57.498 56.287 0.115 0.000 0.831 168 K CB -2.344 30.230 32.500 0.123 0.000 1.226 168 K HN 1.374 nan 8.250 nan 0.000 0.478 169 G N -0.270 108.636 108.800 0.176 0.000 3.238 169 G HA2 0.083 4.043 3.960 -0.000 0.000 0.684 169 G HA3 0.083 4.043 3.960 -0.000 0.000 0.684 169 G C -0.245 174.821 174.900 0.276 0.000 1.156 169 G CA -0.023 45.200 45.100 0.205 0.000 1.048 169 G HN 0.904 nan 8.290 nan 0.000 0.462 170 S N 1.202 117.050 115.700 0.248 0.000 2.732 170 S HA 0.907 5.377 4.470 -0.000 0.000 0.293 170 S C -0.891 173.710 174.600 0.002 0.000 1.159 170 S CA -1.036 57.292 58.200 0.214 0.000 0.847 170 S CB 2.778 66.141 63.200 0.272 0.000 1.169 170 S HN 1.960 nan 8.310 nan 0.000 0.501 171 Y N -0.237 119.762 120.300 -0.501 0.000 2.524 171 Y HA 0.821 5.371 4.550 -0.000 0.000 0.347 171 Y C -1.762 173.913 175.900 -0.375 0.000 1.005 171 Y CA -1.210 56.508 58.100 -0.637 0.000 1.025 171 Y CB 1.524 39.118 38.460 -1.444 0.000 1.275 171 Y HN 0.946 nan 8.280 nan 0.000 0.460 172 I N 5.018 124.988 120.570 -0.999 0.000 2.722 172 I HA 0.480 4.650 4.170 -0.000 0.000 0.292 172 I C -1.947 173.677 176.117 -0.822 0.000 1.267 172 I CA -0.428 60.443 61.300 -0.715 0.000 1.036 172 I CB 1.906 39.744 38.000 -0.270 0.000 1.281 172 I HN 0.667 nan 8.210 nan 0.000 0.423 173 K N 7.957 128.011 120.400 -0.576 0.000 2.581 173 K HA 0.547 4.867 4.320 -0.000 0.000 0.249 173 K C -1.756 174.742 176.600 -0.170 0.000 0.966 173 K CA -0.512 55.560 56.287 -0.359 0.000 0.811 173 K CB 1.304 33.609 32.500 -0.325 0.000 1.223 173 K HN 0.600 nan 8.250 nan 0.000 0.438 174 I N 6.498 126.998 120.570 -0.117 0.000 2.322 174 I HA 0.199 4.368 4.170 -0.000 0.000 0.292 174 I C 0.047 176.183 176.117 0.031 0.000 1.060 174 I CA -0.398 60.880 61.300 -0.036 0.000 1.309 174 I CB 0.579 38.521 38.000 -0.095 0.000 1.415 174 I HN 0.474 nan 8.210 nan 0.000 0.492 175 I N 9.142 129.773 120.570 0.102 0.000 2.317 175 I HA 0.196 4.365 4.170 -0.000 0.000 0.286 175 I C -1.617 174.599 176.117 0.164 0.000 1.119 175 I CA -1.626 59.731 61.300 0.094 0.000 1.228 175 I CB 0.397 38.427 38.000 0.050 0.000 1.476 175 I HN 0.347 nan 8.210 nan 0.000 0.514 176 P HA -0.202 nan 4.420 nan 0.000 0.217 176 P C 1.383 178.686 177.300 0.005 0.000 1.150 176 P CA 1.151 64.362 63.100 0.186 0.000 0.832 176 P CB 0.054 31.858 31.700 0.174 0.000 0.787 177 E N 0.821 121.029 120.200 0.013 0.000 2.463 177 E HA -0.191 4.159 4.350 -0.000 0.000 0.201 177 E C 0.510 177.095 176.600 -0.024 0.000 1.045 177 E CA 1.154 57.545 56.400 -0.015 0.000 0.872 177 E CB -0.681 29.018 29.700 -0.002 0.000 0.797 177 E HN 0.412 nan 8.360 nan 0.000 0.538 178 E N 0.656 120.848 120.200 -0.012 0.000 2.758 178 E HA 0.120 4.469 4.350 -0.000 0.000 0.215 178 E C -0.564 176.028 176.600 -0.013 0.000 0.985 178 E CA -0.424 55.974 56.400 -0.002 0.000 1.102 178 E CB 0.224 29.944 29.700 0.032 0.000 1.042 178 E HN 0.086 nan 8.360 nan 0.000 0.480 179 N N 2.485 121.083 118.700 -0.170 0.000 2.702 179 N HA -0.229 4.511 4.740 -0.000 0.000 0.255 179 N C -0.507 175.140 175.510 0.228 0.000 0.983 179 N CA 1.264 54.052 53.050 -0.436 0.000 0.768 179 N CB -0.835 37.457 38.487 -0.325 0.000 0.918 179 N HN 0.353 nan 8.380 nan 0.000 0.540 180 K N 0.219 120.861 120.400 0.404 0.000 2.385 180 K HA 0.706 5.026 4.320 -0.000 0.000 0.248 180 K C -0.816 176.055 176.600 0.451 0.000 0.955 180 K CA -0.662 55.889 56.287 0.439 0.000 0.816 180 K CB 1.578 34.206 32.500 0.214 0.000 1.250 180 K HN 0.083 nan 8.250 nan 0.000 0.434 181 I N 4.912 125.714 120.570 0.387 0.000 2.569 181 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 181 I C -0.426 175.798 176.117 0.178 0.000 1.088 181 I CA -0.913 60.538 61.300 0.250 0.000 1.047 181 I CB 1.956 40.143 38.000 0.311 0.000 1.237 181 I HN 0.628 nan 8.210 nan 0.000 0.421 182 I N 1.909 122.480 120.570 0.002 0.000 3.108 182 I HA 1.089 5.259 4.170 -0.000 0.000 0.312 182 I C -0.132 175.775 176.117 -0.350 0.000 1.095 182 I CA -0.588 60.632 61.300 -0.132 0.000 1.000 182 I CB 2.449 40.266 38.000 -0.305 0.000 1.229 182 I HN 0.643 nan 8.210 nan 0.000 0.454 183 G N 1.213 109.668 108.800 -0.574 0.000 2.315 183 G HA2 0.458 4.417 3.960 -0.000 0.000 0.294 183 G HA3 0.458 4.417 3.960 -0.000 0.000 0.294 183 G C -2.166 172.167 174.900 -0.944 0.000 1.300 183 G CA -0.359 44.302 45.100 -0.731 0.000 0.843 183 G HN 1.230 nan 8.290 nan 0.000 0.527 184 Y N -1.860 118.190 120.300 -0.416 0.000 2.615 184 Y HA 0.891 5.440 4.550 -0.000 0.000 0.341 184 Y C -0.340 175.587 175.900 0.044 0.000 1.089 184 Y CA -1.181 56.706 58.100 -0.355 0.000 1.049 184 Y CB 1.625 39.791 38.460 -0.490 0.000 1.296 184 Y HN 0.981 nan 8.280 nan 0.000 0.470 185 T N -0.378 114.406 114.554 0.384 0.000 2.900 185 T HA 0.545 4.895 4.350 -0.000 0.000 0.295 185 T C 0.142 174.991 174.700 0.249 0.000 1.044 185 T CA 0.146 62.482 62.100 0.393 0.000 0.995 185 T CB 1.427 70.538 68.868 0.405 0.000 1.072 185 T HN 1.187 nan 8.240 nan 0.000 0.473 186 T N 0.619 115.369 114.554 0.327 0.000 2.954 186 T HA 0.301 4.651 4.350 -0.000 0.000 0.252 186 T C 0.906 175.921 174.700 0.525 0.000 0.983 186 T CA -0.387 61.944 62.100 0.385 0.000 0.941 186 T CB -0.217 68.823 68.868 0.287 0.000 1.141 186 T HN 0.689 nan 8.240 nan 0.000 0.500 187 R N 3.472 124.207 120.500 0.392 0.000 2.486 187 R HA 0.024 4.364 4.340 -0.000 0.000 0.304 187 R C -0.112 176.380 176.300 0.320 0.000 0.913 187 R CA 0.861 57.152 56.100 0.318 0.000 1.124 187 R CB -0.028 30.468 30.300 0.326 0.000 0.891 187 R HN 0.772 nan 8.270 nan 0.000 0.410 188 N N 1.311 120.130 118.700 0.200 0.000 3.157 188 N HA 0.147 4.887 4.740 -0.000 0.000 0.291 188 N C -1.113 174.432 175.510 0.058 0.000 1.515 188 N CA -0.988 52.128 53.050 0.110 0.000 0.807 188 N CB 1.680 40.074 38.487 -0.154 0.000 1.672 188 N HN 0.331 nan 8.380 nan 0.000 0.592 189 S N -1.039 114.670 115.700 0.016 0.000 2.651 189 S HA 0.494 4.963 4.470 -0.000 0.000 0.246 189 S C 0.415 174.986 174.600 -0.049 0.000 1.039 189 S CA 0.131 58.334 58.200 0.005 0.000 1.013 189 S CB -0.302 62.915 63.200 0.029 0.000 0.861 189 S HN 1.076 nan 8.310 nan 0.000 0.485 190 G N 0.514 109.256 108.800 -0.097 0.000 2.631 190 G HA2 0.329 4.289 3.960 -0.000 0.000 0.504 190 G HA3 0.329 4.289 3.960 -0.000 0.000 0.504 190 G C 0.388 175.168 174.900 -0.199 0.000 1.306 190 G CA -0.382 44.649 45.100 -0.116 0.000 0.897 190 G HN 1.216 nan 8.290 nan 0.000 0.520 191 G N -2.447 106.250 108.800 -0.171 0.000 2.246 191 G HA2 0.293 4.253 3.960 -0.000 0.000 0.273 191 G HA3 0.293 4.253 3.960 -0.000 0.000 0.273 191 G C 0.776 175.471 174.900 -0.343 0.000 1.055 191 G CA 1.475 46.440 45.100 -0.226 0.000 0.851 191 G HN 2.484 nan 8.290 nan 0.000 0.500 192 V N -3.361 116.383 119.914 -0.284 0.000 2.841 192 V HA 0.903 5.023 4.120 -0.000 0.000 0.310 192 V C -1.708 174.340 176.094 -0.077 0.000 1.090 192 V CA -2.451 59.677 62.300 -0.286 0.000 0.930 192 V CB 2.004 33.502 31.823 -0.540 0.000 1.014 192 V HN 0.097 nan 8.190 nan 0.000 0.425 193 P HA 0.293 nan 4.420 nan 0.000 0.272 193 P C 0.395 177.780 177.300 0.143 0.000 1.254 193 P CA -0.039 63.113 63.100 0.087 0.000 0.795 193 P CB 0.813 32.576 31.700 0.105 0.000 1.022 194 E N 0.120 120.393 120.200 0.121 0.000 2.152 194 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 194 E C 1.374 178.052 176.600 0.130 0.000 0.983 194 E CA 0.876 57.344 56.400 0.114 0.000 0.818 194 E CB -0.504 29.244 29.700 0.080 0.000 0.758 194 E HN 0.479 nan 8.360 nan 0.000 0.467 195 N N 0.582 119.372 118.700 0.149 0.000 2.521 195 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 195 N C 0.013 175.576 175.510 0.088 0.000 1.146 195 N CA -0.101 53.014 53.050 0.108 0.000 0.893 195 N CB -0.627 37.941 38.487 0.134 0.000 0.975 195 N HN 0.100 nan 8.380 nan 0.000 0.451 196 F N 2.124 122.105 119.950 0.052 0.000 2.571 196 F HA 0.330 4.857 4.527 -0.000 0.000 0.390 196 F C 0.346 176.029 175.800 -0.195 0.000 1.043 196 F CA 0.101 58.084 58.000 -0.028 0.000 1.164 196 F CB -0.100 38.934 39.000 0.057 0.000 1.049 196 F HN 0.249 nan 8.300 nan 0.000 0.552 197 K N 5.136 124.810 120.400 -1.209 0.000 2.508 197 K HA 0.431 4.750 4.320 -0.000 0.000 0.260 197 K C -1.543 174.247 176.600 -1.349 0.000 0.949 197 K CA -0.874 54.602 56.287 -1.351 0.000 0.834 197 K CB 1.407 33.048 32.500 -1.431 0.000 1.365 197 K HN 0.818 nan 8.250 nan 0.000 0.437 198 N N 2.084 120.218 118.700 -0.944 0.000 2.446 198 N HA 0.339 5.078 4.740 -0.000 0.000 0.265 198 N C -1.346 173.869 175.510 -0.492 0.000 0.975 198 N CA -0.193 52.464 53.050 -0.655 0.000 0.928 198 N CB 0.560 38.873 38.487 -0.290 0.000 1.160 198 N HN 0.533 nan 8.380 nan 0.000 0.495 199 Y N 3.933 123.977 120.300 -0.426 0.000 2.336 199 Y HA 0.321 4.871 4.550 -0.000 0.000 0.335 199 Y C 0.138 175.928 175.900 -0.183 0.000 1.046 199 Y CA -0.746 57.064 58.100 -0.483 0.000 1.198 199 Y CB 0.373 38.320 38.460 -0.855 0.000 1.182 199 Y HN 0.292 nan 8.280 nan 0.000 0.502 200 F N 1.288 121.271 119.950 0.056 0.000 2.563 200 F HA 0.904 5.431 4.527 -0.000 0.000 0.316 200 F C -1.336 174.570 175.800 0.177 0.000 1.076 200 F CA -1.992 56.014 58.000 0.009 0.000 0.921 200 F CB 1.173 39.856 39.000 -0.529 0.000 1.209 200 F HN 0.212 nan 8.300 nan 0.000 0.462 201 I N 3.445 124.252 120.570 0.396 0.000 2.582 201 I HA 0.506 4.676 4.170 -0.000 0.000 0.292 201 I C -1.026 175.275 176.117 0.307 0.000 1.066 201 I CA -0.746 60.734 61.300 0.299 0.000 1.053 201 I CB 2.385 40.519 38.000 0.225 0.000 1.241 201 I HN 0.586 nan 8.210 nan 0.000 0.421 202 I N 5.179 125.909 120.570 0.267 0.000 2.478 202 I HA 0.352 4.522 4.170 -0.000 0.000 0.287 202 I C -0.793 175.398 176.117 0.123 0.000 1.042 202 I CA -0.471 60.932 61.300 0.173 0.000 1.067 202 I CB 1.915 40.046 38.000 0.220 0.000 1.233 202 I HN 0.531 nan 8.210 nan 0.000 0.431 203 E N 5.805 126.006 120.200 0.002 0.000 2.176 203 E HA 0.519 4.869 4.350 -0.000 0.000 0.267 203 E C -1.409 175.167 176.600 -0.041 0.000 0.893 203 E CA -0.629 55.815 56.400 0.074 0.000 0.761 203 E CB 2.114 31.861 29.700 0.078 0.000 1.133 203 E HN 0.258 nan 8.360 nan 0.000 0.409 204 F N 1.697 121.776 119.950 0.215 0.000 2.425 204 F HA 0.148 4.674 4.527 -0.000 0.000 0.331 204 F C 1.281 177.138 175.800 0.095 0.000 1.085 204 F CA -0.851 57.284 58.000 0.225 0.000 1.028 204 F CB 0.963 40.203 39.000 0.400 0.000 1.177 204 F HN 0.444 nan 8.300 nan 0.000 0.487 205 D N 0.107 120.655 120.400 0.246 0.000 2.342 205 D HA 0.027 4.667 4.640 -0.000 0.000 0.221 205 D C -0.044 176.290 176.300 0.056 0.000 1.101 205 D CA 0.015 54.081 54.000 0.110 0.000 0.837 205 D CB 0.010 40.850 40.800 0.067 0.000 0.938 205 D HN 0.408 nan 8.370 nan 0.000 0.508 206 K N 0.799 121.244 120.400 0.074 0.000 2.397 206 K HA 0.447 4.767 4.320 -0.000 0.000 0.253 206 K C -2.967 173.615 176.600 -0.030 0.000 0.932 206 K CA -2.193 54.053 56.287 -0.068 0.000 0.795 206 K CB 2.084 34.371 32.500 -0.354 0.000 1.159 206 K HN -0.239 nan 8.250 nan 0.000 0.424 207 P HA 0.047 nan 4.420 nan 0.000 0.269 207 P C -0.899 176.438 177.300 0.062 0.000 1.209 207 P CA -0.083 62.928 63.100 -0.147 0.000 0.776 207 P CB 0.228 31.878 31.700 -0.084 0.000 0.876 208 F N 0.202 120.230 119.950 0.130 0.000 2.443 208 F HA 0.206 4.733 4.527 -0.000 0.000 0.353 208 F C 1.864 177.694 175.800 0.051 0.000 1.101 208 F CA 0.114 58.155 58.000 0.068 0.000 1.226 208 F CB -0.424 38.540 39.000 -0.060 0.000 1.140 208 F HN 0.203 nan 8.300 nan 0.000 0.557 209 T N 1.144 115.839 114.554 0.235 0.000 2.985 209 T HA 0.069 4.419 4.350 -0.000 0.000 0.254 209 T C -1.145 173.651 174.700 0.160 0.000 1.021 209 T CA 0.286 62.476 62.100 0.150 0.000 0.957 209 T CB -0.286 68.653 68.868 0.118 0.000 1.047 209 T HN 0.461 nan 8.240 nan 0.000 0.511 210 Y N 2.649 122.942 120.300 -0.012 0.000 2.470 210 Y HA 0.546 5.096 4.550 -0.000 0.000 0.341 210 Y C -1.527 174.312 175.900 -0.102 0.000 1.021 210 Y CA -1.415 56.672 58.100 -0.022 0.000 1.025 210 Y CB 1.100 39.586 38.460 0.043 0.000 1.266 210 Y HN -0.062 nan 8.280 nan 0.000 0.448 211 K N 4.592 124.628 120.400 -0.607 0.000 2.525 211 K HA 0.983 5.303 4.320 -0.000 0.000 0.254 211 K C -2.072 174.161 176.600 -0.612 0.000 0.934 211 K CA -1.047 54.944 56.287 -0.494 0.000 0.802 211 K CB 2.372 34.702 32.500 -0.283 0.000 1.295 211 K HN 0.835 nan 8.250 nan 0.000 0.433 212 A N 1.125 123.699 122.820 -0.409 0.000 2.604 212 A HA 0.678 4.998 4.320 -0.000 0.000 0.295 212 A C -0.832 176.622 177.584 -0.216 0.000 1.067 212 A CA -0.656 51.197 52.037 -0.307 0.000 0.683 212 A CB 1.639 20.480 19.000 -0.266 0.000 1.281 212 A HN 0.862 nan 8.150 nan 0.000 0.407 213 T N -1.531 112.902 114.554 -0.203 0.000 2.949 213 T HA 0.791 5.141 4.350 -0.000 0.000 0.287 213 T C -0.552 174.001 174.700 -0.246 0.000 1.034 213 T CA -0.741 61.234 62.100 -0.209 0.000 1.018 213 T CB 1.447 70.197 68.868 -0.196 0.000 1.135 213 T HN 1.059 nan 8.240 nan 0.000 0.532 214 V N 1.157 120.869 119.914 -0.337 0.000 2.540 214 V HA 0.591 4.711 4.120 -0.000 0.000 0.302 214 V C -0.385 175.472 176.094 -0.395 0.000 1.035 214 V CA -0.743 61.280 62.300 -0.461 0.000 0.873 214 V CB 1.539 32.802 31.823 -0.933 0.000 0.992 214 V HN 1.030 nan 8.190 nan 0.000 0.428 215 E N 4.044 124.071 120.200 -0.289 0.000 2.216 215 E HA 0.330 4.680 4.350 -0.000 0.000 0.260 215 E C -0.294 176.212 176.600 -0.156 0.000 0.880 215 E CA -0.523 55.764 56.400 -0.188 0.000 0.765 215 E CB 0.913 30.540 29.700 -0.122 0.000 1.174 215 E HN 0.823 nan 8.360 nan 0.000 0.417 216 N N 3.337 121.968 118.700 -0.114 0.000 2.669 216 N HA -0.260 4.480 4.740 -0.000 0.000 0.266 216 N C 0.553 176.018 175.510 -0.073 0.000 1.024 216 N CA 0.409 53.431 53.050 -0.045 0.000 0.766 216 N CB -0.766 37.715 38.487 -0.010 0.000 0.898 216 N HN 0.927 nan 8.380 nan 0.000 0.548 217 G N -0.325 108.389 108.800 -0.143 0.000 2.233 217 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.270 217 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.270 217 G C -0.187 174.649 174.900 -0.108 0.000 1.011 217 G CA 0.369 45.411 45.100 -0.096 0.000 0.762 217 G HN 0.599 nan 8.290 nan 0.000 0.511 218 N N -0.545 118.060 118.700 -0.158 0.000 2.392 218 N HA 0.521 5.261 4.740 -0.000 0.000 0.283 218 N C -0.488 174.924 175.510 -0.164 0.000 1.003 218 N CA -0.666 52.310 53.050 -0.125 0.000 0.892 218 N CB 1.585 40.016 38.487 -0.095 0.000 1.193 218 N HN 0.140 nan 8.380 nan 0.000 0.487 219 L N 2.530 123.677 121.223 -0.126 0.000 2.278 219 L HA 0.273 4.612 4.340 -0.000 0.000 0.287 219 L C -0.247 176.555 176.870 -0.113 0.000 1.072 219 L CA 0.190 54.953 54.840 -0.127 0.000 0.819 219 L CB 0.246 42.255 42.059 -0.083 0.000 1.176 219 L HN 0.409 nan 8.230 nan 0.000 0.435 220 Q N 4.339 124.057 119.800 -0.137 0.000 2.456 220 Q HA 0.262 4.602 4.340 -0.000 0.000 0.252 220 Q C -0.661 175.245 176.000 -0.156 0.000 1.042 220 Q CA -0.323 55.404 55.803 -0.127 0.000 0.766 220 Q CB 1.320 29.987 28.738 -0.119 0.000 1.196 220 Q HN 0.565 nan 8.270 nan 0.000 0.504 221 E N 2.330 122.433 120.200 -0.160 0.000 2.414 221 E HA -0.098 4.252 4.350 -0.000 0.000 0.263 221 E C 0.076 176.550 176.600 -0.211 0.000 1.000 221 E CA 0.262 56.516 56.400 -0.244 0.000 0.914 221 E CB 0.328 29.894 29.700 -0.225 0.000 0.948 221 E HN 0.523 nan 8.360 nan 0.000 0.444 222 N N 1.100 119.649 118.700 -0.252 0.000 2.815 222 N HA -0.193 4.547 4.740 -0.000 0.000 0.247 222 N C -0.909 174.523 175.510 -0.131 0.000 1.030 222 N CA 0.906 53.851 53.050 -0.176 0.000 0.881 222 N CB -1.085 37.320 38.487 -0.138 0.000 1.134 222 N HN 0.173 nan 8.380 nan 0.000 0.582 223 V N 0.945 120.778 119.914 -0.136 0.000 2.455 223 V HA 0.398 4.518 4.120 -0.000 0.000 0.273 223 V C 1.641 177.663 176.094 -0.121 0.000 1.045 223 V CA 0.446 62.679 62.300 -0.111 0.000 0.976 223 V CB 1.383 33.143 31.823 -0.105 0.000 0.993 223 V HN 0.327 nan 8.190 nan 0.000 0.475 224 A N 4.042 126.803 122.820 -0.098 0.000 2.067 224 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 224 A C 0.878 178.384 177.584 -0.129 0.000 1.156 224 A CA 0.701 52.678 52.037 -0.101 0.000 0.683 224 A CB 0.027 18.986 19.000 -0.067 0.000 0.808 224 A HN 0.804 nan 8.150 nan 0.000 0.455 225 E N -0.316 119.810 120.200 -0.124 0.000 2.308 225 E HA 0.415 4.765 4.350 -0.000 0.000 0.275 225 E C -1.566 174.954 176.600 -0.134 0.000 0.890 225 E CA -0.649 55.662 56.400 -0.150 0.000 0.754 225 E CB 1.073 30.735 29.700 -0.063 0.000 1.207 225 E HN 0.238 nan 8.360 nan 0.000 0.426 226 Q N 1.583 121.269 119.800 -0.190 0.000 2.331 226 Q HA 0.412 4.752 4.340 -0.000 0.000 0.272 226 Q C -1.303 174.682 176.000 -0.026 0.000 1.062 226 Q CA -0.690 55.050 55.803 -0.105 0.000 0.806 226 Q CB 2.435 31.095 28.738 -0.131 0.000 1.312 226 Q HN 0.466 nan 8.270 nan 0.000 0.431 227 T N 1.683 116.284 114.554 0.077 0.000 2.934 227 T HA 0.587 4.937 4.350 -0.000 0.000 0.328 227 T C -0.442 174.312 174.700 0.090 0.000 1.068 227 T CA -0.241 61.949 62.100 0.150 0.000 1.018 227 T CB 1.107 70.088 68.868 0.189 0.000 1.009 227 T HN 0.591 nan 8.240 nan 0.000 0.471 228 T N 1.042 115.647 114.554 0.085 0.000 2.661 228 T HA 0.278 4.628 4.350 -0.000 0.000 0.305 228 T C 0.399 175.163 174.700 0.107 0.000 1.441 228 T CA -0.361 61.782 62.100 0.073 0.000 0.999 228 T CB 1.627 70.513 68.868 0.030 0.000 1.650 228 T HN 0.416 nan 8.240 nan 0.000 0.489 229 D N -0.062 120.400 120.400 0.104 0.000 2.084 229 D HA -0.066 4.574 4.640 -0.000 0.000 0.194 229 D C 0.672 177.091 176.300 0.198 0.000 0.990 229 D CA 1.556 55.635 54.000 0.130 0.000 0.826 229 D CB -0.008 40.854 40.800 0.104 0.000 0.971 229 D HN 0.531 nan 8.370 nan 0.000 0.453 230 H N -0.545 118.560 119.070 0.059 0.000 2.736 230 H HA 0.584 5.140 4.556 -0.000 0.000 0.271 230 H C -1.231 174.110 175.328 0.021 0.000 1.184 230 H CA -1.000 55.097 56.048 0.081 0.000 1.378 230 H CB 0.623 30.437 29.762 0.087 0.000 1.428 230 H HN 0.177 nan 8.280 nan 0.000 0.500 231 A N 3.321 126.245 122.820 0.173 0.000 2.327 231 A HA 0.670 4.990 4.320 -0.000 0.000 0.283 231 A C 0.285 177.854 177.584 -0.026 0.000 1.127 231 A CA 0.219 52.249 52.037 -0.012 0.000 0.810 231 A CB 0.901 19.894 19.000 -0.011 0.000 1.066 231 A HN 0.760 nan 8.150 nan 0.000 0.492 232 G N -0.959 107.719 108.800 -0.204 0.000 2.677 232 G HA2 0.768 4.727 3.960 -0.000 0.000 0.291 232 G HA3 0.768 4.727 3.960 -0.000 0.000 0.291 232 G C -1.065 173.754 174.900 -0.135 0.000 1.435 232 G CA 0.113 45.147 45.100 -0.110 0.000 0.826 232 G HN 1.685 nan 8.290 nan 0.000 0.491 233 A N 0.014 122.845 122.820 0.019 0.000 2.414 233 A HA 0.844 5.164 4.320 -0.000 0.000 0.306 233 A C -0.977 176.613 177.584 0.009 0.000 1.054 233 A CA -0.595 51.417 52.037 -0.041 0.000 0.724 233 A CB 1.234 20.213 19.000 -0.034 0.000 1.267 233 A HN 0.727 nan 8.150 nan 0.000 0.418 234 I N 3.004 123.542 120.570 -0.052 0.000 2.447 234 I HA 0.435 4.605 4.170 -0.000 0.000 0.287 234 I C -0.864 175.206 176.117 -0.078 0.000 1.023 234 I CA -0.637 60.645 61.300 -0.031 0.000 1.083 234 I CB 1.632 39.630 38.000 -0.003 0.000 1.245 234 I HN 0.699 nan 8.210 nan 0.000 0.434 235 I N 2.942 123.371 120.570 -0.236 0.000 2.957 235 I HA 1.074 5.244 4.170 -0.000 0.000 0.310 235 I C 0.027 175.900 176.117 -0.405 0.000 1.063 235 I CA -0.475 60.557 61.300 -0.446 0.000 1.033 235 I CB 2.059 39.303 38.000 -1.260 0.000 1.230 235 I HN 0.559 nan 8.210 nan 0.000 0.447 236 G N 1.732 110.211 108.800 -0.534 0.000 2.623 236 G HA2 0.774 4.734 3.960 -0.000 0.000 0.290 236 G HA3 0.774 4.734 3.960 -0.000 0.000 0.290 236 G C -1.600 172.731 174.900 -0.948 0.000 1.437 236 G CA -0.809 43.692 45.100 -0.999 0.000 0.798 236 G HN 0.879 nan 8.290 nan 0.000 0.488 237 F N -1.620 118.136 119.950 -0.324 0.000 2.779 237 F HA 0.701 5.227 4.527 -0.000 0.000 0.316 237 F C -0.339 175.262 175.800 -0.332 0.000 1.164 237 F CA -1.468 56.394 58.000 -0.230 0.000 0.924 237 F CB 1.932 40.833 39.000 -0.166 0.000 1.348 237 F HN 0.555 nan 8.300 nan 0.000 0.467 238 K N 1.146 121.559 120.400 0.022 0.000 2.174 238 K HA 0.636 4.956 4.320 -0.000 0.000 0.275 238 K C -1.056 175.491 176.600 -0.088 0.000 1.015 238 K CA -0.138 56.094 56.287 -0.091 0.000 0.933 238 K CB 1.397 33.842 32.500 -0.092 0.000 1.025 238 K HN 0.862 nan 8.250 nan 0.000 0.463 239 T N 1.146 115.635 114.554 -0.108 0.000 2.893 239 T HA 0.453 4.803 4.350 -0.000 0.000 0.293 239 T C -0.358 174.329 174.700 -0.023 0.000 1.027 239 T CA -1.162 60.887 62.100 -0.084 0.000 0.988 239 T CB 1.256 70.067 68.868 -0.095 0.000 1.043 239 T HN 0.761 nan 8.240 nan 0.000 0.461 240 R N 1.280 121.778 120.500 -0.004 0.000 2.546 240 R HA 0.507 4.846 4.340 -0.000 0.000 0.266 240 R C -0.044 176.290 176.300 0.057 0.000 1.086 240 R CA -1.176 54.935 56.100 0.018 0.000 1.160 240 R CB 0.795 31.100 30.300 0.007 0.000 1.138 240 R HN 0.683 nan 8.270 nan 0.000 0.567 241 K N 0.269 120.703 120.400 0.056 0.000 2.472 241 K HA -0.004 4.316 4.320 -0.000 0.000 0.280 241 K C 0.513 177.161 176.600 0.081 0.000 1.028 241 K CA 1.399 57.731 56.287 0.076 0.000 1.045 241 K CB -0.051 32.484 32.500 0.058 0.000 0.902 241 K HN 0.880 nan 8.250 nan 0.000 0.478 242 G N 2.881 111.747 108.800 0.110 0.000 2.184 242 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.264 242 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.264 242 G C -0.006 174.957 174.900 0.106 0.000 0.975 242 G CA 0.489 45.648 45.100 0.099 0.000 0.642 242 G HN 0.749 nan 8.290 nan 0.000 0.536 243 E N 0.866 121.140 120.200 0.123 0.000 2.417 243 E HA 0.314 4.664 4.350 -0.000 0.000 0.261 243 E C 0.523 177.230 176.600 0.178 0.000 1.000 243 E CA 0.112 56.578 56.400 0.110 0.000 0.919 243 E CB 0.183 29.923 29.700 0.067 0.000 0.955 243 E HN 0.555 nan 8.360 nan 0.000 0.455 244 Q N 2.281 122.155 119.800 0.124 0.000 2.230 244 Q HA 0.453 4.793 4.340 -0.000 0.000 0.253 244 Q C -1.130 174.964 176.000 0.156 0.000 0.919 244 Q CA -0.855 55.038 55.803 0.151 0.000 0.908 244 Q CB 2.290 31.076 28.738 0.081 0.000 1.245 244 Q HN 0.316 nan 8.270 nan 0.000 0.437 245 V N 3.036 123.113 119.914 0.272 0.000 2.483 245 V HA 0.319 4.438 4.120 -0.000 0.000 0.297 245 V C -0.561 175.712 176.094 0.299 0.000 1.027 245 V CA -0.944 61.527 62.300 0.285 0.000 0.855 245 V CB 1.732 33.812 31.823 0.428 0.000 0.995 245 V HN 0.761 nan 8.190 nan 0.000 0.424 246 N N 3.002 121.812 118.700 0.183 0.000 2.443 246 N HA 0.747 5.486 4.740 -0.000 0.000 0.295 246 N C -0.483 175.084 175.510 0.096 0.000 1.076 246 N CA -0.339 52.758 53.050 0.079 0.000 0.919 246 N CB 2.627 41.125 38.487 0.018 0.000 1.176 246 N HN 0.774 nan 8.380 nan 0.000 0.487 247 A N 2.259 125.069 122.820 -0.016 0.000 2.335 247 A HA 0.476 4.796 4.320 -0.000 0.000 0.304 247 A C -0.301 177.224 177.584 -0.099 0.000 1.118 247 A CA -0.738 51.188 52.037 -0.186 0.000 0.757 247 A CB 0.881 19.705 19.000 -0.293 0.000 1.188 247 A HN 0.604 nan 8.150 nan 0.000 0.460 248 R N 1.808 122.253 120.500 -0.092 0.000 2.265 248 R HA 0.665 5.005 4.340 -0.000 0.000 0.319 248 R C -0.963 175.353 176.300 0.027 0.000 1.006 248 R CA 0.006 56.093 56.100 -0.022 0.000 0.880 248 R CB 1.130 31.431 30.300 0.002 0.000 1.077 248 R HN 0.679 nan 8.270 nan 0.000 0.454 249 I N 1.558 122.166 120.570 0.064 0.000 2.647 249 I HA 0.676 4.846 4.170 -0.000 0.000 0.295 249 I C -0.550 175.711 176.117 0.239 0.000 1.078 249 I CA -0.923 60.486 61.300 0.181 0.000 1.048 249 I CB 2.274 40.419 38.000 0.241 0.000 1.239 249 I HN 0.652 nan 8.210 nan 0.000 0.421 250 A N 3.506 126.519 122.820 0.321 0.000 2.587 250 A HA 0.911 5.231 4.320 -0.000 0.000 0.293 250 A C -0.856 176.950 177.584 0.370 0.000 1.087 250 A CA -0.483 51.743 52.037 0.316 0.000 0.692 250 A CB 2.087 21.209 19.000 0.204 0.000 1.291 250 A HN 0.750 nan 8.150 nan 0.000 0.407 251 S N -0.254 115.626 115.700 0.300 0.000 2.661 251 S HA 0.928 5.397 4.470 -0.000 0.000 0.285 251 S C -0.480 174.128 174.600 0.012 0.000 1.138 251 S CA -0.100 58.223 58.200 0.205 0.000 0.855 251 S CB 1.633 64.993 63.200 0.267 0.000 1.136 251 S HN 2.122 nan 8.310 nan 0.000 0.484 252 S N -0.757 114.863 115.700 -0.133 0.000 2.565 252 S HA 0.653 5.122 4.470 -0.000 0.000 0.269 252 S C -1.322 173.061 174.600 -0.361 0.000 1.153 252 S CA -0.740 57.341 58.200 -0.199 0.000 0.835 252 S CB 0.737 63.896 63.200 -0.068 0.000 1.122 252 S HN 0.635 nan 8.310 nan 0.000 0.462 253 F N 1.754 121.652 119.950 -0.088 0.000 2.695 253 F HA 0.469 4.996 4.527 -0.000 0.000 0.303 253 F C 1.310 177.033 175.800 -0.127 0.000 1.091 253 F CA -0.031 57.832 58.000 -0.229 0.000 1.300 253 F CB 0.182 38.977 39.000 -0.341 0.000 1.071 253 F HN 0.408 nan 8.300 nan 0.000 0.578 254 I N -1.431 119.194 120.570 0.092 0.000 2.900 254 I HA 0.062 4.232 4.170 -0.000 0.000 0.251 254 I C 0.783 176.708 176.117 -0.321 0.000 1.102 254 I CA 0.516 61.828 61.300 0.020 0.000 1.457 254 I CB 0.241 38.255 38.000 0.022 0.000 1.285 254 I HN 0.089 nan 8.210 nan 0.000 0.459 255 S N -1.796 113.436 115.700 -0.780 0.000 2.656 255 S HA 0.256 4.725 4.470 -0.000 0.000 0.265 255 S C -0.065 173.874 174.600 -1.102 0.000 1.132 255 S CA -0.692 56.666 58.200 -1.402 0.000 0.819 255 S CB 0.404 63.263 63.200 -0.569 0.000 1.119 255 S HN 0.002 nan 8.310 nan 0.000 0.476 256 F N 1.548 121.087 119.950 -0.684 0.000 2.186 256 F HA 0.161 4.688 4.527 -0.000 0.000 0.299 256 F C 3.119 178.826 175.800 -0.155 0.000 1.090 256 F CA 1.939 59.787 58.000 -0.253 0.000 1.307 256 F CB -1.039 37.896 39.000 -0.110 0.000 1.019 256 F HN 0.928 nan 8.300 nan 0.000 0.489 257 E N 0.073 120.277 120.200 0.006 0.000 2.038 257 E HA -0.298 4.052 4.350 -0.000 0.000 0.195 257 E C 1.982 178.576 176.600 -0.010 0.000 1.000 257 E CA 1.673 58.075 56.400 0.003 0.000 0.803 257 E CB -1.131 28.557 29.700 -0.020 0.000 0.750 257 E HN 0.425 nan 8.360 nan 0.000 0.448 258 Q N -0.238 119.524 119.800 -0.063 0.000 2.167 258 Q HA 0.114 4.454 4.340 -0.000 0.000 0.202 258 Q C 2.243 178.243 176.000 0.001 0.000 0.970 258 Q CA 1.906 57.690 55.803 -0.032 0.000 0.855 258 Q CB -0.454 28.254 28.738 -0.049 0.000 0.911 258 Q HN 0.561 nan 8.270 nan 0.000 0.438 259 A N 0.402 123.221 122.820 -0.002 0.000 1.908 259 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 259 A C 2.313 179.952 177.584 0.093 0.000 1.181 259 A CA 1.919 53.996 52.037 0.067 0.000 0.627 259 A CB -1.262 17.811 19.000 0.121 0.000 0.818 259 A HN 0.540 nan 8.150 nan 0.000 0.445 260 A N -0.167 122.705 122.820 0.087 0.000 1.908 260 A HA 0.102 4.422 4.320 -0.000 0.000 0.218 260 A C 2.512 180.135 177.584 0.064 0.000 1.181 260 A CA 2.275 54.359 52.037 0.079 0.000 0.627 260 A CB -1.039 18.001 19.000 0.066 0.000 0.818 260 A HN 1.125 nan 8.150 nan 0.000 0.445 261 A N 0.255 123.105 122.820 0.051 0.000 1.902 261 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 261 A C 1.867 179.486 177.584 0.058 0.000 1.181 261 A CA 1.801 53.866 52.037 0.048 0.000 0.623 261 A CB -0.632 18.391 19.000 0.039 0.000 0.818 261 A HN 0.554 nan 8.150 nan 0.000 0.443 262 N N -0.764 117.975 118.700 0.065 0.000 2.223 262 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 262 N C 1.514 177.075 175.510 0.085 0.000 1.016 262 N CA 1.688 54.784 53.050 0.076 0.000 0.863 262 N CB -0.497 38.039 38.487 0.082 0.000 0.983 262 N HN 0.529 nan 8.380 nan 0.000 0.429 263 M N 1.272 120.925 119.600 0.089 0.000 2.202 263 M HA -0.088 4.392 4.480 -0.000 0.000 0.262 263 M C 0.981 177.320 176.300 0.065 0.000 1.063 263 M CA 1.467 56.818 55.300 0.086 0.000 1.097 263 M CB -0.466 32.187 32.600 0.089 0.000 1.382 263 M HN 0.143 nan 8.290 nan 0.000 0.413 264 N N -0.312 118.423 118.700 0.059 0.000 2.585 264 N HA -0.154 4.585 4.740 -0.000 0.000 0.188 264 N C 1.087 176.626 175.510 0.048 0.000 1.102 264 N CA 0.753 53.832 53.050 0.049 0.000 0.920 264 N CB -0.130 38.385 38.487 0.045 0.000 0.963 264 N HN 0.577 nan 8.380 nan 0.000 0.447 265 E N 0.647 120.881 120.200 0.056 0.000 2.204 265 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 265 E C 1.487 178.113 176.600 0.045 0.000 0.990 265 E CA 0.620 57.053 56.400 0.056 0.000 0.821 265 E CB 0.058 29.800 29.700 0.069 0.000 0.750 265 E HN 0.461 nan 8.360 nan 0.000 0.477 266 L N 0.020 121.266 121.223 0.040 0.000 2.478 266 L HA 0.033 4.373 4.340 -0.000 0.000 0.223 266 L C 1.629 178.511 176.870 0.020 0.000 1.140 266 L CA 0.218 55.073 54.840 0.024 0.000 0.842 266 L CB -0.972 41.098 42.059 0.017 0.000 0.953 266 L HN 0.211 nan 8.230 nan 0.000 0.452 267 G N 1.765 110.580 108.800 0.026 0.000 2.661 267 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.327 267 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.327 267 G C 0.558 175.468 174.900 0.016 0.000 1.320 267 G CA 0.810 45.923 45.100 0.021 0.000 0.997 267 G HN 0.485 nan 8.290 nan 0.000 0.543 268 K N 0.930 121.337 120.400 0.011 0.000 2.618 268 K HA 0.266 4.586 4.320 -0.000 0.000 0.207 268 K C -0.772 175.829 176.600 0.002 0.000 1.058 268 K CA -0.357 55.935 56.287 0.008 0.000 1.086 268 K CB 0.718 33.223 32.500 0.008 0.000 0.827 268 K HN 0.361 nan 8.250 nan 0.000 0.481 269 D N 2.822 123.222 120.400 0.001 0.000 2.382 269 D HA -0.017 4.623 4.640 -0.000 0.000 0.245 269 D C 0.247 176.541 176.300 -0.010 0.000 1.120 269 D CA 0.181 54.179 54.000 -0.005 0.000 0.890 269 D CB 0.716 41.514 40.800 -0.003 0.000 1.201 269 D HN 0.237 nan 8.370 nan 0.000 0.433 270 N N 1.560 120.253 118.700 -0.012 0.000 2.405 270 N HA 0.050 4.790 4.740 -0.000 0.000 0.269 270 N C 1.075 176.575 175.510 -0.016 0.000 1.249 270 N CA -0.523 52.517 53.050 -0.016 0.000 0.974 270 N CB 0.765 39.243 38.487 -0.014 0.000 1.204 270 N HN 0.141 nan 8.380 nan 0.000 0.565 271 I N 0.214 120.774 120.570 -0.016 0.000 2.127 271 I HA -0.240 3.930 4.170 -0.000 0.000 0.241 271 I C 1.833 177.958 176.117 0.013 0.000 1.075 271 I CA 1.699 63.003 61.300 0.006 0.000 1.334 271 I CB -1.125 36.891 38.000 0.027 0.000 1.040 271 I HN 0.578 nan 8.210 nan 0.000 0.405 272 E N 0.584 120.773 120.200 -0.019 0.000 2.085 272 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 272 E C 2.225 178.797 176.600 -0.048 0.000 0.994 272 E CA 1.265 57.632 56.400 -0.056 0.000 0.801 272 E CB -0.260 29.401 29.700 -0.064 0.000 0.743 272 E HN 0.532 nan 8.360 nan 0.000 0.453 273 Q N -0.243 119.538 119.800 -0.032 0.000 2.079 273 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 273 Q C 2.241 178.229 176.000 -0.019 0.000 0.974 273 Q CA 0.905 56.690 55.803 -0.030 0.000 0.840 273 Q CB -0.067 28.658 28.738 -0.022 0.000 0.898 273 Q HN 0.276 nan 8.270 nan 0.000 0.430 274 L N -0.001 121.221 121.223 -0.002 0.000 2.109 274 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 274 L C 2.445 179.345 176.870 0.049 0.000 1.086 274 L CA 0.744 55.595 54.840 0.018 0.000 0.760 274 L CB -0.471 41.597 42.059 0.015 0.000 0.910 274 L HN 0.231 nan 8.230 nan 0.000 0.437 275 A N -0.352 122.511 122.820 0.071 0.000 1.908 275 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 275 A C 2.173 179.733 177.584 -0.040 0.000 1.181 275 A CA 2.015 54.149 52.037 0.162 0.000 0.627 275 A CB -0.523 18.551 19.000 0.124 0.000 0.818 275 A HN 0.420 nan 8.150 nan 0.000 0.445 276 Q N 0.082 119.821 119.800 -0.101 0.000 2.119 276 Q HA -0.115 4.225 4.340 -0.000 0.000 0.201 276 Q C 1.881 177.793 176.000 -0.146 0.000 0.972 276 Q CA 2.114 57.811 55.803 -0.177 0.000 0.847 276 Q CB -0.268 28.397 28.738 -0.122 0.000 0.903 276 Q HN 0.679 nan 8.270 nan 0.000 0.433 277 K N -0.979 119.382 120.400 -0.065 0.000 2.097 277 K HA -0.039 4.281 4.320 -0.000 0.000 0.205 277 K C 2.001 178.595 176.600 -0.009 0.000 1.050 277 K CA 1.061 57.330 56.287 -0.029 0.000 0.938 277 K CB -0.378 32.123 32.500 0.001 0.000 0.718 277 K HN 0.387 nan 8.250 nan 0.000 0.442 278 G N 1.796 110.616 108.800 0.033 0.000 2.404 278 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.215 278 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.215 278 G C 1.424 176.399 174.900 0.126 0.000 1.174 278 G CA 0.672 45.869 45.100 0.162 0.000 0.780 278 G HN 0.210 nan 8.290 nan 0.000 0.537 279 K N 0.224 120.430 120.400 -0.322 0.000 2.074 279 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 279 K C 2.041 178.570 176.600 -0.117 0.000 1.048 279 K CA 1.734 57.685 56.287 -0.560 0.000 0.926 279 K CB -0.152 31.707 32.500 -1.068 0.000 0.713 279 K HN 0.137 nan 8.250 nan 0.000 0.444 280 D N 0.163 120.504 120.400 -0.099 0.000 2.092 280 D HA -0.159 4.481 4.640 -0.000 0.000 0.193 280 D C 1.808 178.128 176.300 0.033 0.000 0.994 280 D CA 1.590 55.576 54.000 -0.024 0.000 0.828 280 D CB -0.352 40.428 40.800 -0.033 0.000 0.963 280 D HN 0.359 nan 8.370 nan 0.000 0.450 281 A N -0.133 122.696 122.820 0.015 0.000 1.933 281 A HA -0.164 4.155 4.320 -0.000 0.000 0.218 281 A C 2.198 179.741 177.584 -0.068 0.000 1.175 281 A CA 1.179 53.194 52.037 -0.037 0.000 0.628 281 A CB -1.138 17.807 19.000 -0.093 0.000 0.814 281 A HN 0.319 nan 8.150 nan 0.000 0.444 282 W N -0.045 121.281 121.300 0.043 0.000 2.418 282 W HA -0.051 4.609 4.660 -0.000 0.000 0.292 282 W C 2.194 178.769 176.519 0.093 0.000 1.213 282 W CA 1.250 58.635 57.345 0.067 0.000 1.283 282 W CB -0.250 29.279 29.460 0.114 0.000 1.119 282 W HN 0.429 nan 8.180 nan 0.000 0.542 283 N N -0.173 118.723 118.700 0.327 0.000 2.223 283 N HA -0.247 4.492 4.740 -0.000 0.000 0.185 283 N C 1.638 177.301 175.510 0.255 0.000 1.016 283 N CA 1.197 54.451 53.050 0.340 0.000 0.863 283 N CB -0.201 38.458 38.487 0.287 0.000 0.983 283 N HN 0.091 nan 8.380 nan 0.000 0.429 284 Q N 1.017 120.914 119.800 0.161 0.000 2.084 284 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 284 Q C 1.873 177.948 176.000 0.125 0.000 0.978 284 Q CA 1.578 57.450 55.803 0.114 0.000 0.844 284 Q CB -0.007 28.778 28.738 0.079 0.000 0.898 284 Q HN 0.373 nan 8.270 nan 0.000 0.426 285 V N -2.306 117.687 119.914 0.132 0.000 2.599 285 V HA -0.013 4.107 4.120 -0.000 0.000 0.245 285 V C 2.202 178.443 176.094 0.245 0.000 1.046 285 V CA 1.094 63.522 62.300 0.212 0.000 1.065 285 V CB -0.782 31.025 31.823 -0.027 0.000 0.703 285 V HN 0.310 nan 8.190 nan 0.000 0.464 286 L N 1.644 122.999 121.223 0.221 0.000 2.083 286 L HA 0.017 4.357 4.340 -0.000 0.000 0.209 286 L C 2.757 179.530 176.870 -0.162 0.000 1.083 286 L CA 1.736 56.691 54.840 0.191 0.000 0.752 286 L CB -1.166 41.066 42.059 0.287 0.000 0.899 286 L HN 0.514 nan 8.230 nan 0.000 0.433 287 G N -0.494 108.072 108.800 -0.389 0.000 2.559 287 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 287 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 287 G C 1.556 176.188 174.900 -0.447 0.000 1.126 287 G CA 0.118 44.598 45.100 -1.035 0.000 0.778 287 G HN 0.140 nan 8.290 nan 0.000 0.543 288 K N 0.018 120.331 120.400 -0.144 0.000 2.280 288 K HA 0.040 4.359 4.320 -0.000 0.000 0.202 288 K C 0.694 177.221 176.600 -0.121 0.000 1.047 288 K CA 0.497 56.743 56.287 -0.068 0.000 0.942 288 K CB 0.020 32.457 32.500 -0.104 0.000 0.739 288 K HN 0.380 nan 8.250 nan 0.000 0.457 289 I N 1.432 121.926 120.570 -0.127 0.000 2.410 289 I HA 0.180 4.349 4.170 -0.000 0.000 0.286 289 I C -0.588 175.449 176.117 -0.133 0.000 1.009 289 I CA -0.458 60.770 61.300 -0.119 0.000 1.111 289 I CB 1.847 39.876 38.000 0.048 0.000 1.262 289 I HN -0.161 nan 8.210 nan 0.000 0.443 290 E N 6.013 126.114 120.200 -0.164 0.000 2.129 290 E HA 0.463 4.813 4.350 -0.000 0.000 0.268 290 E C -0.853 175.645 176.600 -0.170 0.000 0.900 290 E CA -0.676 55.689 56.400 -0.058 0.000 0.755 290 E CB 2.595 32.349 29.700 0.090 0.000 1.117 290 E HN 0.466 nan 8.360 nan 0.000 0.410 291 V N 0.386 120.142 119.914 -0.263 0.000 2.667 291 V HA 0.645 4.764 4.120 -0.000 0.000 0.308 291 V C -0.348 175.531 176.094 -0.358 0.000 1.048 291 V CA -0.610 61.314 62.300 -0.626 0.000 0.928 291 V CB 1.686 32.495 31.823 -1.689 0.000 1.004 291 V HN 0.643 nan 8.190 nan 0.000 0.444 292 E N 1.797 121.888 120.200 -0.182 0.000 2.446 292 E HA 0.692 5.042 4.350 -0.000 0.000 0.276 292 E C 0.244 176.990 176.600 0.245 0.000 0.969 292 E CA -0.780 55.660 56.400 0.066 0.000 0.800 292 E CB 1.861 31.583 29.700 0.036 0.000 1.341 292 E HN 1.576 nan 8.360 nan 0.000 0.460 293 G N 0.092 109.069 108.800 0.294 0.000 2.272 293 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.280 293 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.280 293 G C 0.102 175.145 174.900 0.238 0.000 1.067 293 G CA 0.166 45.398 45.100 0.219 0.000 0.902 293 G HN 0.721 nan 8.290 nan 0.000 0.500 294 G N -0.604 108.357 108.800 0.268 0.000 3.015 294 G HA2 0.785 4.745 3.960 -0.000 0.000 0.281 294 G HA3 0.785 4.745 3.960 -0.000 0.000 0.281 294 G C -0.232 174.404 174.900 -0.439 0.000 1.386 294 G CA -0.065 44.989 45.100 -0.075 0.000 0.959 294 G HN 0.999 nan 8.290 nan 0.000 0.522 295 N N -1.398 117.022 118.700 -0.466 0.000 2.476 295 N HA 0.321 5.061 4.740 -0.000 0.000 0.276 295 N C 1.014 176.219 175.510 -0.509 0.000 1.204 295 N CA -0.834 51.992 53.050 -0.372 0.000 0.974 295 N CB 1.339 39.717 38.487 -0.182 0.000 1.204 295 N HN 0.311 nan 8.380 nan 0.000 0.543 296 L N -0.194 120.919 121.223 -0.183 0.000 2.131 296 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 296 L C 0.938 177.824 176.870 0.026 0.000 1.092 296 L CA 1.818 56.666 54.840 0.013 0.000 0.759 296 L CB -0.874 41.266 42.059 0.135 0.000 0.903 296 L HN 0.594 nan 8.230 nan 0.000 0.435 297 D N -0.840 119.545 120.400 -0.025 0.000 2.117 297 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 297 D C 2.172 178.489 176.300 0.028 0.000 0.987 297 D CA 1.294 55.298 54.000 0.008 0.000 0.829 297 D CB -0.049 40.740 40.800 -0.018 0.000 0.961 297 D HN 0.510 nan 8.370 nan 0.000 0.460 298 Q N -0.657 119.120 119.800 -0.038 0.000 2.079 298 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 298 Q C 2.100 178.301 176.000 0.335 0.000 0.974 298 Q CA 0.892 56.737 55.803 0.071 0.000 0.840 298 Q CB -0.157 28.481 28.738 -0.168 0.000 0.898 298 Q HN 0.359 nan 8.270 nan 0.000 0.430 299 Y N 0.881 121.308 120.300 0.212 0.000 2.128 299 Y HA -0.206 4.344 4.550 -0.000 0.000 0.284 299 Y C 2.294 178.297 175.900 0.171 0.000 1.154 299 Y CA 1.104 59.223 58.100 0.032 0.000 1.149 299 Y CB -0.586 37.553 38.460 -0.535 0.000 0.976 299 Y HN 0.038 nan 8.280 nan 0.000 0.505 300 R N -0.723 119.975 120.500 0.329 0.000 2.091 300 R HA -0.145 4.194 4.340 -0.000 0.000 0.238 300 R C 2.196 178.623 176.300 0.212 0.000 1.136 300 R CA 2.069 58.356 56.100 0.311 0.000 0.959 300 R CB -0.783 29.649 30.300 0.220 0.000 0.856 300 R HN 0.289 nan 8.270 nan 0.000 0.437 301 T N 0.753 115.385 114.554 0.130 0.000 2.737 301 T HA -0.144 4.205 4.350 -0.000 0.000 0.265 301 T C 1.412 176.106 174.700 -0.010 0.000 1.038 301 T CA 1.258 63.318 62.100 -0.066 0.000 1.144 301 T CB -0.347 68.362 68.868 -0.264 0.000 0.866 301 T HN 0.161 nan 8.240 nan 0.000 0.434 302 F N 0.923 120.949 119.950 0.127 0.000 2.095 302 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 302 F C 1.905 177.703 175.800 -0.003 0.000 1.104 302 F CA 1.283 59.385 58.000 0.170 0.000 1.232 302 F CB -0.368 38.692 39.000 0.101 0.000 0.987 302 F HN 0.151 nan 8.300 nan 0.000 0.475 303 Y N -0.471 120.013 120.300 0.307 0.000 2.475 303 Y HA -0.041 4.509 4.550 -0.000 0.000 0.289 303 Y C 2.635 178.615 175.900 0.133 0.000 1.121 303 Y CA 1.046 59.271 58.100 0.208 0.000 1.257 303 Y CB -0.878 37.805 38.460 0.370 0.000 1.026 303 Y HN -0.016 nan 8.280 nan 0.000 0.555 304 S N -1.010 114.832 115.700 0.237 0.000 2.368 304 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 304 S C 2.213 176.965 174.600 0.253 0.000 1.029 304 S CA 1.338 59.649 58.200 0.186 0.000 0.988 304 S CB -0.754 62.505 63.200 0.100 0.000 0.838 304 S HN 0.521 nan 8.310 nan 0.000 0.462 305 C N 1.122 120.501 119.300 0.132 0.000 2.432 305 C HA 0.006 4.466 4.460 -0.000 0.000 0.277 305 C C 2.553 177.587 174.990 0.074 0.000 1.249 305 C CA 0.569 59.674 59.018 0.145 0.000 1.725 305 C CB -1.321 26.475 27.740 0.093 0.000 2.028 305 C HN 0.551 nan 8.230 nan 0.000 0.477 306 L N 0.501 121.684 121.223 -0.067 0.000 2.083 306 L HA -0.158 4.181 4.340 -0.000 0.000 0.209 306 L C 2.349 179.282 176.870 0.105 0.000 1.083 306 L CA 2.081 56.885 54.840 -0.060 0.000 0.752 306 L CB -1.190 40.779 42.059 -0.149 0.000 0.899 306 L HN 0.578 nan 8.230 nan 0.000 0.433 307 Y N 0.156 120.474 120.300 0.030 0.000 2.128 307 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 307 Y C 2.411 178.316 175.900 0.010 0.000 1.154 307 Y CA 1.688 59.776 58.100 -0.019 0.000 1.149 307 Y CB -0.337 37.967 38.460 -0.262 0.000 0.976 307 Y HN 0.070 nan 8.280 nan 0.000 0.505 308 R N 0.277 120.664 120.500 -0.188 0.000 2.241 308 R HA -0.059 4.281 4.340 -0.000 0.000 0.224 308 R C 1.903 178.173 176.300 -0.050 0.000 1.101 308 R CA 1.112 57.078 56.100 -0.224 0.000 0.995 308 R CB -0.581 29.745 30.300 0.044 0.000 0.870 308 R HN 0.366 nan 8.270 nan 0.000 0.463 309 S N 0.538 116.235 115.700 -0.005 0.000 2.593 309 S HA 0.169 4.639 4.470 -0.000 0.000 0.217 309 S C 1.270 175.863 174.600 -0.012 0.000 0.966 309 S CA 0.259 58.486 58.200 0.045 0.000 0.914 309 S CB 0.237 63.479 63.200 0.070 0.000 0.776 309 S HN 0.210 nan 8.310 nan 0.000 0.523 310 L N 0.718 121.828 121.223 -0.190 0.000 3.202 310 L HA 0.411 4.751 4.340 -0.000 0.000 0.278 310 L C 0.615 176.931 176.870 -0.923 0.000 1.268 310 L CA 0.171 54.625 54.840 -0.642 0.000 1.034 310 L CB 0.173 41.777 42.059 -0.758 0.000 1.407 310 L HN 0.238 nan 8.230 nan 0.000 0.581 311 L N -1.343 119.668 121.223 -0.353 0.000 2.653 311 L HA 0.321 4.661 4.340 -0.000 0.000 0.230 311 L C -0.176 176.630 176.870 -0.106 0.000 1.055 311 L CA 0.354 55.028 54.840 -0.276 0.000 0.880 311 L CB 0.580 42.401 42.059 -0.396 0.000 1.195 311 L HN 0.035 nan 8.230 nan 0.000 0.492 312 F N 0.601 120.749 119.950 0.329 0.000 2.551 312 F HA 0.494 5.021 4.527 -0.000 0.000 0.316 312 F C -2.277 173.699 175.800 0.293 0.000 1.089 312 F CA -2.502 55.713 58.000 0.359 0.000 0.915 312 F CB 1.273 40.428 39.000 0.258 0.000 1.186 312 F HN -0.284 nan 8.300 nan 0.000 0.456 313 P HA 0.229 nan 4.420 nan 0.000 0.277 313 P C -0.904 176.759 177.300 0.606 0.000 1.240 313 P CA -0.660 62.791 63.100 0.584 0.000 0.798 313 P CB 1.139 33.154 31.700 0.525 0.000 0.979 314 R N 1.437 122.219 120.500 0.471 0.000 2.707 314 R HA 0.265 4.605 4.340 -0.000 0.000 0.270 314 R C -0.079 176.442 176.300 0.369 0.000 1.083 314 R CA -0.517 55.801 56.100 0.363 0.000 1.182 314 R CB 0.297 30.651 30.300 0.091 0.000 1.084 314 R HN 0.316 nan 8.270 nan 0.000 0.528 315 K N 1.137 121.609 120.400 0.120 0.000 2.448 315 K HA -0.025 4.295 4.320 -0.000 0.000 0.278 315 K C -0.418 176.087 176.600 -0.159 0.000 1.009 315 K CA 0.327 56.332 56.287 -0.470 0.000 0.995 315 K CB 0.338 32.535 32.500 -0.505 0.000 0.917 315 K HN 0.531 nan 8.250 nan 0.000 0.481 316 F N 3.278 123.024 119.950 -0.340 0.000 2.775 316 F HA 0.146 4.673 4.527 -0.000 0.000 0.313 316 F C -0.917 174.923 175.800 0.067 0.000 1.121 316 F CA -0.672 57.288 58.000 -0.068 0.000 1.206 316 F CB 0.527 39.512 39.000 -0.025 0.000 1.052 316 F HN 0.477 nan 8.300 nan 0.000 0.524 317 Y N -0.634 119.682 120.300 0.026 0.000 2.524 317 Y HA 0.783 5.333 4.550 -0.000 0.000 0.344 317 Y C -0.853 175.092 175.900 0.076 0.000 1.012 317 Y CA -1.567 56.598 58.100 0.109 0.000 1.068 317 Y CB 0.795 39.341 38.460 0.144 0.000 1.249 317 Y HN 0.040 nan 8.280 nan 0.000 0.468 318 E N 3.137 123.500 120.200 0.272 0.000 2.299 318 E HA 0.438 4.788 4.350 -0.000 0.000 0.265 318 E C -1.304 175.421 176.600 0.208 0.000 0.911 318 E CA -1.243 55.248 56.400 0.152 0.000 0.789 318 E CB 2.363 32.119 29.700 0.093 0.000 1.246 318 E HN 0.424 nan 8.360 nan 0.000 0.427 319 L N 2.761 124.076 121.223 0.154 0.000 2.305 319 L HA 0.201 4.541 4.340 -0.000 0.000 0.281 319 L C 0.323 177.242 176.870 0.081 0.000 1.085 319 L CA -0.151 54.769 54.840 0.132 0.000 0.813 319 L CB 0.035 42.170 42.059 0.127 0.000 1.157 319 L HN 0.703 nan 8.230 nan 0.000 0.436 320 D N 1.993 122.429 120.400 0.059 0.000 2.478 320 D HA 0.291 4.931 4.640 -0.000 0.000 0.269 320 D C 1.101 177.422 176.300 0.035 0.000 1.232 320 D CA -0.110 53.912 54.000 0.037 0.000 1.059 320 D CB 0.591 41.402 40.800 0.019 0.000 1.104 320 D HN 0.448 nan 8.370 nan 0.000 0.566 321 A N -0.110 122.725 122.820 0.025 0.000 1.958 321 A HA -0.269 4.050 4.320 -0.000 0.000 0.221 321 A C 1.763 179.363 177.584 0.027 0.000 1.178 321 A CA 1.679 53.730 52.037 0.024 0.000 0.642 321 A CB -0.853 18.157 19.000 0.018 0.000 0.816 321 A HN 0.590 nan 8.150 nan 0.000 0.453 322 N N -1.219 117.495 118.700 0.024 0.000 2.398 322 N HA 0.131 4.871 4.740 -0.000 0.000 0.188 322 N C 1.118 176.648 175.510 0.033 0.000 1.122 322 N CA 1.076 54.140 53.050 0.024 0.000 0.866 322 N CB 0.304 38.800 38.487 0.016 0.000 0.970 322 N HN 0.700 nan 8.380 nan 0.000 0.462 323 G N 0.549 109.374 108.800 0.043 0.000 2.136 323 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.242 323 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.242 323 G C -0.166 174.767 174.900 0.055 0.000 0.989 323 G CA -0.199 44.938 45.100 0.061 0.000 0.682 323 G HN 0.192 nan 8.290 nan 0.000 0.522 324 Q N 0.392 120.208 119.800 0.026 0.000 2.230 324 Q HA 0.450 4.790 4.340 -0.000 0.000 0.253 324 Q C -2.345 173.636 176.000 -0.031 0.000 0.919 324 Q CA -2.016 53.774 55.803 -0.022 0.000 0.908 324 Q CB 1.923 30.639 28.738 -0.035 0.000 1.245 324 Q HN 0.278 nan 8.270 nan 0.000 0.437 325 P HA 0.220 nan 4.420 nan 0.000 0.271 325 P C -0.451 176.807 177.300 -0.070 0.000 1.216 325 P CA 0.067 63.076 63.100 -0.152 0.000 0.771 325 P CB 0.401 31.630 31.700 -0.785 0.000 0.864 326 I N -0.078 120.541 120.570 0.082 0.000 3.006 326 I HA 0.657 4.827 4.170 -0.000 0.000 0.306 326 I C -0.946 175.267 176.117 0.161 0.000 1.250 326 I CA -0.991 60.319 61.300 0.017 0.000 0.996 326 I CB 2.739 40.728 38.000 -0.018 0.000 1.261 326 I HN 0.406 nan 8.210 nan 0.000 0.442 327 H N 1.714 120.878 119.070 0.156 0.000 2.996 327 H HA 0.343 4.899 4.556 -0.000 0.000 0.368 327 H C -2.087 173.389 175.328 0.246 0.000 1.185 327 H CA -0.799 55.385 56.048 0.227 0.000 1.160 327 H CB 1.418 31.359 29.762 0.299 0.000 1.820 327 H HN 0.832 nan 8.280 nan 0.000 0.547 328 Y N 1.938 122.413 120.300 0.292 0.000 2.425 328 Y HA 0.199 4.748 4.550 -0.000 0.000 0.331 328 Y C 0.145 176.301 175.900 0.426 0.000 1.157 328 Y CA 0.172 58.443 58.100 0.285 0.000 1.372 328 Y CB 1.047 39.672 38.460 0.275 0.000 1.253 328 Y HN 0.643 nan 8.280 nan 0.000 0.536 329 S N 8.232 123.749 115.700 -0.305 0.000 2.410 329 S HA 0.299 4.769 4.470 -0.000 0.000 0.304 329 S C -1.606 172.630 174.600 -0.607 0.000 1.095 329 S CA -1.742 56.342 58.200 -0.194 0.000 1.089 329 S CB 0.714 63.913 63.200 -0.001 0.000 0.968 329 S HN 0.692 nan 8.310 nan 0.000 0.480 330 P HA -0.085 nan 4.420 nan 0.000 0.223 330 P C 0.457 177.441 177.300 -0.527 0.000 1.151 330 P CA 1.011 63.807 63.100 -0.507 0.000 0.787 330 P CB 0.000 31.197 31.700 -0.838 0.000 0.788 331 Y N 2.107 122.262 120.300 -0.241 0.000 2.130 331 Y HA -0.087 4.463 4.550 -0.000 0.000 0.287 331 Y C 2.124 177.967 175.900 -0.095 0.000 1.124 331 Y CA 1.822 59.815 58.100 -0.180 0.000 1.118 331 Y CB -1.283 37.080 38.460 -0.160 0.000 0.994 331 Y HN 0.137 nan 8.280 nan 0.000 0.497 332 N N -1.137 117.591 118.700 0.046 0.000 2.200 332 N HA 0.188 4.928 4.740 -0.000 0.000 0.224 332 N C 1.157 176.637 175.510 -0.050 0.000 1.179 332 N CA 0.463 53.522 53.050 0.016 0.000 0.877 332 N CB 0.514 39.024 38.487 0.038 0.000 1.072 332 N HN 0.364 nan 8.380 nan 0.000 0.519 333 G N -0.176 108.513 108.800 -0.185 0.000 2.189 333 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.267 333 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.267 333 G C -0.157 174.659 174.900 -0.141 0.000 0.975 333 G CA 0.663 45.636 45.100 -0.212 0.000 0.644 333 G HN 0.549 nan 8.290 nan 0.000 0.537 334 Q N -0.927 118.799 119.800 -0.124 0.000 2.212 334 Q HA 0.608 4.948 4.340 -0.000 0.000 0.238 334 Q C 0.073 176.062 176.000 -0.017 0.000 0.955 334 Q CA -0.643 55.141 55.803 -0.031 0.000 0.906 334 Q CB 1.902 30.633 28.738 -0.012 0.000 1.215 334 Q HN 0.180 nan 8.270 nan 0.000 0.478 335 V N 3.026 122.955 119.914 0.024 0.000 2.370 335 V HA 0.454 4.574 4.120 -0.000 0.000 0.279 335 V C -0.409 175.631 176.094 -0.089 0.000 1.029 335 V CA -0.376 61.933 62.300 0.015 0.000 0.870 335 V CB 0.583 32.439 31.823 0.056 0.000 0.984 335 V HN 0.536 nan 8.190 nan 0.000 0.451 336 L N 6.497 127.563 121.223 -0.261 0.000 2.434 336 L HA 0.559 4.899 4.340 -0.000 0.000 0.260 336 L C -2.561 174.002 176.870 -0.512 0.000 0.983 336 L CA -1.974 52.669 54.840 -0.329 0.000 0.820 336 L CB 3.456 45.381 42.059 -0.223 0.000 1.361 336 L HN 0.376 nan 8.230 nan 0.000 0.410 337 P HA 0.231 nan 4.420 nan 0.000 0.265 337 P C 0.012 177.274 177.300 -0.063 0.000 1.193 337 P CA 0.624 63.635 63.100 -0.148 0.000 0.765 337 P CB 0.875 32.530 31.700 -0.075 0.000 0.823 338 G N 1.801 110.575 108.800 -0.042 0.000 2.497 338 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.686 338 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.686 338 G C -1.367 173.600 174.900 0.111 0.000 1.288 338 G CA -1.025 44.080 45.100 0.008 0.000 0.899 338 G HN 0.277 nan 8.290 nan 0.000 0.608 339 Y N -0.781 119.557 120.300 0.063 0.000 2.330 339 Y HA 0.667 5.217 4.550 -0.000 0.000 0.341 339 Y C 0.990 176.905 175.900 0.025 0.000 1.278 339 Y CA 0.579 58.636 58.100 -0.072 0.000 1.453 339 Y CB 1.272 39.731 38.460 -0.002 0.000 1.342 339 Y HN 0.837 nan 8.280 nan 0.000 0.590 340 M N 2.509 122.316 119.600 0.345 0.000 2.323 340 M HA 0.445 4.925 4.480 -0.000 0.000 0.278 340 M C -2.467 174.018 176.300 0.309 0.000 1.069 340 M CA -0.667 54.767 55.300 0.225 0.000 0.950 340 M CB 0.732 33.225 32.600 -0.178 0.000 1.879 340 M HN 0.375 nan 8.290 nan 0.000 0.491 341 F N 1.142 121.268 119.950 0.292 0.000 2.631 341 F HA 0.959 5.486 4.527 -0.000 0.000 0.328 341 F C 0.397 176.303 175.800 0.176 0.000 1.067 341 F CA -0.451 57.727 58.000 0.296 0.000 0.969 341 F CB 2.436 41.605 39.000 0.280 0.000 1.332 341 F HN 0.646 nan 8.300 nan 0.000 0.490 342 T N -1.217 113.552 114.554 0.358 0.000 2.658 342 T HA 0.321 4.671 4.350 -0.000 0.000 0.305 342 T C -2.170 172.716 174.700 0.310 0.000 1.551 342 T CA -0.552 61.653 62.100 0.175 0.000 0.985 342 T CB 0.862 69.601 68.868 -0.215 0.000 1.731 342 T HN 0.643 nan 8.240 nan 0.000 0.486 343 D N 0.905 121.480 120.400 0.291 0.000 2.778 343 D HA -0.092 4.547 4.640 -0.000 0.000 0.246 343 D C -0.510 176.054 176.300 0.440 0.000 1.107 343 D CA 1.547 55.833 54.000 0.477 0.000 0.732 343 D CB -1.356 39.821 40.800 0.629 0.000 1.055 343 D HN 0.674 nan 8.370 nan 0.000 0.429 344 T N -1.502 113.147 114.554 0.157 0.000 2.853 344 T HA 0.623 4.973 4.350 -0.000 0.000 0.311 344 T C -0.642 173.354 174.700 -1.173 0.000 1.307 344 T CA 0.022 61.964 62.100 -0.262 0.000 1.019 344 T CB 1.936 70.870 68.868 0.110 0.000 1.264 344 T HN 0.189 nan 8.240 nan 0.000 0.497 345 G N 2.156 109.866 108.800 -1.816 0.000 2.502 345 G HA2 0.545 4.504 3.960 -0.000 0.000 0.311 345 G HA3 0.545 4.504 3.960 -0.000 0.000 0.311 345 G C 0.401 174.959 174.900 -0.570 0.000 1.270 345 G CA -0.557 43.244 45.100 -2.166 0.000 0.948 345 G HN 0.577 nan 8.290 nan 0.000 0.487 346 F N 1.089 120.895 119.950 -0.240 0.000 2.269 346 F HA 0.035 4.561 4.527 -0.000 0.000 0.301 346 F C 2.040 177.984 175.800 0.239 0.000 1.082 346 F CA -0.132 57.891 58.000 0.039 0.000 1.360 346 F CB -0.440 38.575 39.000 0.024 0.000 1.041 346 F HN 0.743 nan 8.300 nan 0.000 0.512 347 W N 1.811 123.250 121.300 0.232 0.000 2.325 347 W HA -0.250 4.410 4.660 -0.000 0.000 0.299 347 W C 1.966 178.633 176.519 0.247 0.000 1.215 347 W CA 2.206 59.741 57.345 0.317 0.000 1.244 347 W CB -0.268 29.356 29.460 0.274 0.000 1.140 347 W HN -0.054 nan 8.180 nan 0.000 0.523 348 D N -1.408 119.127 120.400 0.225 0.000 2.144 348 D HA -0.126 4.514 4.640 -0.000 0.000 0.207 348 D C 2.168 178.441 176.300 -0.045 0.000 0.970 348 D CA 2.553 56.561 54.000 0.013 0.000 0.853 348 D CB -0.959 39.924 40.800 0.139 0.000 1.007 348 D HN 0.266 nan 8.370 nan 0.000 0.469 349 T N -0.839 113.796 114.554 0.135 0.000 3.100 349 T HA -0.020 4.330 4.350 -0.000 0.000 0.253 349 T C 1.922 176.806 174.700 0.307 0.000 1.118 349 T CA -0.152 62.094 62.100 0.243 0.000 1.058 349 T CB -0.716 68.395 68.868 0.405 0.000 0.953 349 T HN 0.214 nan 8.240 nan 0.000 0.515 350 F N 2.190 122.221 119.950 0.135 0.000 2.293 350 F HA 0.196 4.723 4.527 -0.000 0.000 0.300 350 F C 2.240 178.014 175.800 -0.043 0.000 1.086 350 F CA 0.058 58.052 58.000 -0.010 0.000 1.375 350 F CB -0.387 38.544 39.000 -0.114 0.000 1.045 350 F HN -0.036 nan 8.300 nan 0.000 0.516 351 R N 0.409 120.332 120.500 -0.963 0.000 2.080 351 R HA -0.138 4.202 4.340 -0.000 0.000 0.236 351 R C 1.961 178.063 176.300 -0.329 0.000 1.137 351 R CA 2.138 57.720 56.100 -0.864 0.000 0.943 351 R CB -0.835 29.049 30.300 -0.693 0.000 0.846 351 R HN 0.676 nan 8.270 nan 0.000 0.431 352 C N -3.263 115.958 119.300 -0.132 0.000 4.529 352 C HA 0.329 4.789 4.460 -0.000 0.000 0.406 352 C C 1.880 176.987 174.990 0.196 0.000 1.744 352 C CA -0.844 58.112 59.018 -0.103 0.000 1.978 352 C CB -0.604 26.952 27.740 -0.307 0.000 3.097 352 C HN 0.334 nan 8.230 nan 0.000 0.642 353 L N 1.152 122.486 121.223 0.184 0.000 1.994 353 L HA 0.114 4.454 4.340 -0.000 0.000 0.208 353 L C 2.187 179.142 176.870 0.142 0.000 1.071 353 L CA 2.319 57.264 54.840 0.175 0.000 0.745 353 L CB -1.158 40.971 42.059 0.118 0.000 0.892 353 L HN 0.375 nan 8.230 nan 0.000 0.431 354 F N 0.427 120.460 119.950 0.137 0.000 2.234 354 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 354 F C -0.339 175.544 175.800 0.139 0.000 1.087 354 F CA 1.140 59.205 58.000 0.108 0.000 1.340 354 F CB -1.612 37.396 39.000 0.015 0.000 1.031 354 F HN 0.211 nan 8.300 nan 0.000 0.500 355 P HA -0.178 nan 4.420 nan 0.000 0.217 355 P C 1.898 179.495 177.300 0.495 0.000 1.150 355 P CA 1.027 64.317 63.100 0.316 0.000 0.832 355 P CB -0.004 31.801 31.700 0.175 0.000 0.787 356 L N -0.626 120.921 121.223 0.540 0.000 2.013 356 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 356 L C 2.126 179.199 176.870 0.339 0.000 1.073 356 L CA 1.906 56.956 54.840 0.349 0.000 0.753 356 L CB -1.418 40.755 42.059 0.189 0.000 0.890 356 L HN -0.119 nan 8.230 nan 0.000 0.432 357 L N -0.644 120.778 121.223 0.332 0.000 2.012 357 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 357 L C 2.209 179.269 176.870 0.318 0.000 1.073 357 L CA 2.068 57.121 54.840 0.355 0.000 0.748 357 L CB -0.943 41.225 42.059 0.182 0.000 0.891 357 L HN 0.413 nan 8.230 nan 0.000 0.431 358 N N -0.256 118.617 118.700 0.289 0.000 2.348 358 N HA -0.202 4.538 4.740 -0.000 0.000 0.185 358 N C 1.693 177.450 175.510 0.412 0.000 1.019 358 N CA 0.668 53.878 53.050 0.266 0.000 0.880 358 N CB 0.033 38.612 38.487 0.153 0.000 0.965 358 N HN 0.196 nan 8.380 nan 0.000 0.437 359 L N -0.324 121.170 121.223 0.452 0.000 2.200 359 L HA 0.145 4.484 4.340 -0.000 0.000 0.200 359 L C 1.582 178.747 176.870 0.492 0.000 1.072 359 L CA 1.189 56.350 54.840 0.535 0.000 0.787 359 L CB 0.146 42.488 42.059 0.472 0.000 0.957 359 L HN 0.078 nan 8.230 nan 0.000 0.459 360 M N -1.949 117.763 119.600 0.186 0.000 2.538 360 M HA 0.204 4.683 4.480 -0.000 0.000 0.259 360 M C -0.069 175.880 176.300 -0.585 0.000 1.217 360 M CA 0.612 55.760 55.300 -0.255 0.000 1.131 360 M CB -0.070 32.151 32.600 -0.632 0.000 1.382 360 M HN 0.123 nan 8.290 nan 0.000 0.520 361 Y N 0.242 120.672 120.300 0.215 0.000 2.517 361 Y HA 0.328 4.878 4.550 -0.000 0.000 0.330 361 Y C -1.668 174.288 175.900 0.094 0.000 0.917 361 Y CA -1.939 56.256 58.100 0.159 0.000 1.131 361 Y CB -0.393 38.192 38.460 0.208 0.000 1.175 361 Y HN 0.060 nan 8.280 nan 0.000 0.620 362 P HA -0.192 nan 4.420 nan 0.000 0.218 362 P C 1.541 178.880 177.300 0.066 0.000 1.148 362 P CA 1.914 65.108 63.100 0.156 0.000 0.822 362 P CB 0.213 32.041 31.700 0.212 0.000 0.784 363 S N -0.430 115.308 115.700 0.064 0.000 2.383 363 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 363 S C 2.066 176.623 174.600 -0.071 0.000 1.030 363 S CA 1.553 59.760 58.200 0.012 0.000 1.002 363 S CB -1.804 61.423 63.200 0.045 0.000 0.829 363 S HN 0.015 nan 8.310 nan 0.000 0.467 364 V N 2.479 122.328 119.914 -0.109 0.000 2.649 364 V HA -0.009 4.111 4.120 -0.000 0.000 0.248 364 V C 2.565 178.416 176.094 -0.404 0.000 1.054 364 V CA 1.677 63.774 62.300 -0.338 0.000 1.073 364 V CB -1.023 30.387 31.823 -0.689 0.000 0.699 364 V HN 0.468 nan 8.190 nan 0.000 0.463 365 N N 0.750 119.312 118.700 -0.232 0.000 2.300 365 N HA -0.148 4.592 4.740 -0.000 0.000 0.179 365 N C 1.713 177.119 175.510 -0.174 0.000 1.016 365 N CA 1.025 53.968 53.050 -0.179 0.000 0.876 365 N CB -0.182 38.312 38.487 0.011 0.000 0.979 365 N HN 0.332 nan 8.380 nan 0.000 0.432 366 K N 1.365 121.681 120.400 -0.140 0.000 2.113 366 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 366 K C 1.536 178.002 176.600 -0.223 0.000 1.047 366 K CA 1.589 57.796 56.287 -0.132 0.000 0.928 366 K CB -0.224 32.220 32.500 -0.092 0.000 0.716 366 K HN 0.348 nan 8.250 nan 0.000 0.446 367 E N -0.415 119.566 120.200 -0.365 0.000 2.072 367 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 367 E C 2.117 178.519 176.600 -0.331 0.000 0.985 367 E CA 1.518 57.574 56.400 -0.573 0.000 0.801 367 E CB -0.150 29.204 29.700 -0.576 0.000 0.750 367 E HN 0.359 nan 8.360 nan 0.000 0.452 368 M N 0.583 119.854 119.600 -0.548 0.000 2.117 368 M HA -0.179 4.301 4.480 -0.000 0.000 0.262 368 M C 2.201 178.433 176.300 -0.113 0.000 1.065 368 M CA 1.191 56.169 55.300 -0.538 0.000 1.114 368 M CB 0.024 32.315 32.600 -0.514 0.000 1.361 368 M HN -0.035 nan 8.290 nan 0.000 0.408 369 Q N 0.247 119.983 119.800 -0.108 0.000 2.167 369 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 369 Q C 1.873 177.890 176.000 0.028 0.000 0.970 369 Q CA 1.118 56.883 55.803 -0.063 0.000 0.855 369 Q CB -0.450 28.240 28.738 -0.080 0.000 0.911 369 Q HN 0.501 nan 8.270 nan 0.000 0.438 370 E N 0.014 120.248 120.200 0.058 0.000 2.110 370 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 370 E C 2.014 178.746 176.600 0.221 0.000 0.988 370 E CA 1.186 57.684 56.400 0.164 0.000 0.804 370 E CB -0.356 29.496 29.700 0.254 0.000 0.745 370 E HN 0.476 nan 8.360 nan 0.000 0.458 371 G N 1.219 110.173 108.800 0.258 0.000 2.422 371 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 371 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 371 G C 1.755 176.793 174.900 0.230 0.000 1.146 371 G CA 0.469 45.749 45.100 0.300 0.000 0.769 371 G HN 0.166 nan 8.290 nan 0.000 0.547 372 L N 0.251 121.589 121.223 0.190 0.000 2.046 372 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 372 L C 2.767 179.847 176.870 0.349 0.000 1.077 372 L CA 0.388 55.345 54.840 0.195 0.000 0.747 372 L CB -0.410 41.636 42.059 -0.020 0.000 0.896 372 L HN 0.089 nan 8.230 nan 0.000 0.432 373 I N 0.406 121.159 120.570 0.305 0.000 2.226 373 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 373 I C 2.113 178.372 176.117 0.237 0.000 1.100 373 I CA 1.614 63.125 61.300 0.352 0.000 1.374 373 I CB -1.347 36.798 38.000 0.241 0.000 1.057 373 I HN 0.368 nan 8.210 nan 0.000 0.413 374 N N -0.266 118.545 118.700 0.186 0.000 2.289 374 N HA -0.143 4.597 4.740 -0.000 0.000 0.184 374 N C 1.588 177.141 175.510 0.073 0.000 1.016 374 N CA 1.529 54.661 53.050 0.136 0.000 0.872 374 N CB -0.013 38.577 38.487 0.171 0.000 0.973 374 N HN 0.354 nan 8.380 nan 0.000 0.433 375 T N 0.003 114.593 114.554 0.060 0.000 2.777 375 T HA -0.170 4.179 4.350 -0.000 0.000 0.266 375 T C 1.583 176.198 174.700 -0.141 0.000 1.040 375 T CA 0.864 62.856 62.100 -0.180 0.000 1.141 375 T CB -0.378 68.403 68.868 -0.144 0.000 0.868 375 T HN 0.323 nan 8.240 nan 0.000 0.444 376 Y N 2.059 122.285 120.300 -0.124 0.000 2.200 376 Y HA 0.026 4.576 4.550 -0.000 0.000 0.290 376 Y C 1.912 177.665 175.900 -0.246 0.000 1.137 376 Y CA 0.730 58.643 58.100 -0.312 0.000 1.163 376 Y CB -0.791 37.282 38.460 -0.644 0.000 0.988 376 Y HN 0.133 nan 8.280 nan 0.000 0.518 377 L N 0.256 121.253 121.223 -0.377 0.000 2.083 377 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 377 L C 2.695 179.401 176.870 -0.274 0.000 1.083 377 L CA 1.801 56.392 54.840 -0.414 0.000 0.752 377 L CB -1.117 40.832 42.059 -0.185 0.000 0.899 377 L HN 0.395 nan 8.230 nan 0.000 0.433 378 E N -0.390 119.718 120.200 -0.153 0.000 2.385 378 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 378 E C 1.994 178.574 176.600 -0.034 0.000 1.013 378 E CA 0.998 57.362 56.400 -0.060 0.000 0.866 378 E CB -0.038 29.688 29.700 0.043 0.000 0.832 378 E HN 0.628 nan 8.360 nan 0.000 0.500 379 S N -3.710 111.946 115.700 -0.074 0.000 2.649 379 S HA 0.449 4.919 4.470 -0.000 0.000 0.246 379 S C 2.041 176.686 174.600 0.076 0.000 1.057 379 S CA 1.104 59.360 58.200 0.094 0.000 1.051 379 S CB 0.579 63.919 63.200 0.234 0.000 1.018 379 S HN 1.539 nan 8.310 nan 0.000 0.569 380 G N 0.696 109.398 108.800 -0.163 0.000 2.205 380 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.261 380 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.261 380 G C -0.106 174.607 174.900 -0.312 0.000 0.980 380 G CA 0.337 45.225 45.100 -0.354 0.000 0.632 380 G HN 0.552 nan 8.290 nan 0.000 0.533 381 F N -0.181 119.775 119.950 0.009 0.000 2.540 381 F HA 0.703 5.230 4.527 -0.000 0.000 0.317 381 F C 0.167 175.966 175.800 -0.002 0.000 1.104 381 F CA -1.379 56.560 58.000 -0.101 0.000 0.913 381 F CB 1.317 40.245 39.000 -0.119 0.000 1.170 381 F HN -0.073 nan 8.300 nan 0.000 0.450 382 F N 4.537 124.572 119.950 0.140 0.000 2.518 382 F HA 0.240 4.767 4.527 -0.000 0.000 0.359 382 F C -1.712 174.200 175.800 0.186 0.000 1.118 382 F CA -2.464 55.600 58.000 0.107 0.000 1.287 382 F CB -0.074 38.933 39.000 0.012 0.000 1.132 382 F HN 0.163 nan 8.300 nan 0.000 0.587 383 P HA 0.155 nan 4.420 nan 0.000 0.276 383 P C -0.375 177.032 177.300 0.179 0.000 1.252 383 P CA -0.087 63.212 63.100 0.332 0.000 0.802 383 P CB 1.726 33.572 31.700 0.244 0.000 1.035 384 E N -0.102 120.142 120.200 0.073 0.000 2.870 384 E HA 0.096 4.446 4.350 -0.000 0.000 0.185 384 E C -0.220 176.258 176.600 -0.203 0.000 1.084 384 E CA 0.601 57.007 56.400 0.010 0.000 1.246 384 E CB -0.156 29.643 29.700 0.164 0.000 1.382 384 E HN 0.481 nan 8.360 nan 0.000 0.492 385 W N 1.004 122.269 121.300 -0.058 0.000 2.376 385 W HA 0.565 5.225 4.660 -0.000 0.000 0.312 385 W C -0.819 175.677 176.519 -0.039 0.000 1.060 385 W CA -0.326 56.987 57.345 -0.054 0.000 1.221 385 W CB 1.469 30.936 29.460 0.012 0.000 1.281 385 W HN 0.052 nan 8.180 nan 0.000 0.456 386 A N 3.371 126.437 122.820 0.411 0.000 2.353 386 A HA 0.643 4.962 4.320 -0.000 0.000 0.299 386 A C -0.855 176.859 177.584 0.217 0.000 1.089 386 A CA -0.510 51.654 52.037 0.212 0.000 0.736 386 A CB 1.740 20.804 19.000 0.107 0.000 1.195 386 A HN 0.326 nan 8.150 nan 0.000 0.447 387 S N 4.260 119.977 115.700 0.029 0.000 2.417 387 S HA 0.466 4.936 4.470 -0.000 0.000 0.189 387 S C -2.474 171.937 174.600 -0.315 0.000 1.005 387 S CA -0.516 57.679 58.200 -0.007 0.000 1.116 387 S CB 1.148 64.448 63.200 0.166 0.000 1.343 387 S HN 0.477 nan 8.310 nan 0.000 0.406 388 P HA 0.255 nan 4.420 nan 0.000 0.228 388 P C 0.961 177.781 177.300 -0.800 0.000 1.166 388 P CA 0.444 63.063 63.100 -0.803 0.000 0.812 388 P CB 0.133 31.094 31.700 -1.231 0.000 0.857 389 G N -0.461 107.895 108.800 -0.740 0.000 2.671 389 G HA2 0.236 4.196 3.960 -0.000 0.000 0.275 389 G HA3 0.236 4.196 3.960 -0.000 0.000 0.275 389 G C -0.563 174.137 174.900 -0.334 0.000 1.368 389 G CA -0.441 44.157 45.100 -0.837 0.000 1.044 389 G HN 0.081 nan 8.290 nan 0.000 0.543 390 H N 0.893 119.960 119.070 -0.006 0.000 3.070 390 H HA 0.151 4.707 4.556 -0.000 0.000 0.313 390 H C 0.395 175.664 175.328 -0.098 0.000 0.997 390 H CA 0.637 56.670 56.048 -0.025 0.000 1.438 390 H CB 0.320 29.986 29.762 -0.160 0.000 1.455 390 H HN 0.167 nan 8.280 nan 0.000 0.575 391 R N 1.474 122.014 120.500 0.066 0.000 2.807 391 R HA 0.359 4.699 4.340 -0.000 0.000 0.276 391 R C 0.291 176.583 176.300 -0.013 0.000 0.979 391 R CA -1.025 55.063 56.100 -0.019 0.000 0.928 391 R CB 2.122 32.371 30.300 -0.085 0.000 1.191 391 R HN 0.740 nan 8.270 nan 0.000 0.471 392 G N 0.504 109.274 108.800 -0.049 0.000 2.391 392 G HA2 0.397 4.357 3.960 -0.000 0.000 0.305 392 G HA3 0.397 4.357 3.960 -0.000 0.000 0.305 392 G C -0.576 174.284 174.900 -0.067 0.000 1.072 392 G CA -0.094 44.984 45.100 -0.036 0.000 1.016 392 G HN 0.488 nan 8.290 nan 0.000 0.418 393 C N 5.247 124.530 119.300 -0.029 0.000 3.199 393 C HA 0.585 5.045 4.460 -0.000 0.000 0.392 393 C C -0.034 175.008 174.990 0.087 0.000 1.050 393 C CA -0.595 58.376 59.018 -0.078 0.000 1.222 393 C CB 0.371 27.870 27.740 -0.402 0.000 1.595 393 C HN 1.047 nan 8.230 nan 0.000 0.560 394 M N 2.952 122.517 119.600 -0.059 0.000 7.319 394 M HA -0.162 4.317 4.480 -0.000 0.000 0.181 394 M C 0.175 176.413 176.300 -0.104 0.000 0.480 394 M CA 1.978 57.137 55.300 -0.236 0.000 1.311 394 M CB -2.260 30.229 32.600 -0.186 0.000 0.421 394 M HN 1.886 nan 8.290 nan 0.000 0.232 395 V N -3.787 116.082 119.914 -0.075 0.000 3.096 395 V HA 1.004 5.124 4.120 -0.000 0.000 0.310 395 V C 0.242 176.522 176.094 0.310 0.000 1.438 395 V CA 0.634 62.993 62.300 0.098 0.000 1.042 395 V CB 1.014 32.848 31.823 0.019 0.000 1.069 395 V HN 2.734 nan 8.190 nan 0.000 0.470 396 G N 0.489 109.433 108.800 0.241 0.000 2.795 396 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.664 396 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.664 396 G C -0.272 174.865 174.900 0.395 0.000 1.381 396 G CA 0.250 45.539 45.100 0.314 0.000 0.853 396 G HN 1.741 nan 8.290 nan 0.000 0.545 397 N N -0.071 118.843 118.700 0.357 0.000 2.541 397 N HA 0.119 4.858 4.740 -0.000 0.000 0.297 397 N C 1.224 176.756 175.510 0.036 0.000 1.503 397 N CA 0.219 53.377 53.050 0.181 0.000 0.919 397 N CB -0.147 38.373 38.487 0.056 0.000 1.305 397 N HN 0.526 nan 8.380 nan 0.000 0.501 398 N N -0.459 118.262 118.700 0.036 0.000 2.520 398 N HA -0.140 4.599 4.740 -0.000 0.000 0.185 398 N C 1.748 177.101 175.510 -0.262 0.000 1.068 398 N CA 0.876 53.803 53.050 -0.205 0.000 0.911 398 N CB 0.187 38.542 38.487 -0.219 0.000 0.961 398 N HN 0.281 nan 8.380 nan 0.000 0.446 399 S N 0.727 116.371 115.700 -0.094 0.000 2.407 399 S HA -0.255 4.215 4.470 -0.000 0.000 0.235 399 S C 2.119 176.450 174.600 -0.450 0.000 1.036 399 S CA 1.079 59.097 58.200 -0.303 0.000 1.013 399 S CB -0.547 62.674 63.200 0.036 0.000 0.820 399 S HN 0.453 nan 8.310 nan 0.000 0.476 400 A N 1.354 123.973 122.820 -0.336 0.000 1.933 400 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 400 A C 2.403 179.731 177.584 -0.428 0.000 1.175 400 A CA 1.737 53.550 52.037 -0.372 0.000 0.628 400 A CB -1.160 17.632 19.000 -0.346 0.000 0.814 400 A HN 0.530 nan 8.150 nan 0.000 0.444 401 S N -0.348 115.077 115.700 -0.459 0.000 2.345 401 S HA -0.121 4.349 4.470 -0.000 0.000 0.220 401 S C 1.957 176.351 174.600 -0.343 0.000 1.031 401 S CA 1.375 59.349 58.200 -0.376 0.000 0.996 401 S CB -0.447 62.550 63.200 -0.339 0.000 0.882 401 S HN 0.395 nan 8.310 nan 0.000 0.445 402 I N 1.954 122.209 120.570 -0.525 0.000 2.091 402 I HA -0.207 3.963 4.170 -0.000 0.000 0.239 402 I C 2.399 178.216 176.117 -0.500 0.000 1.061 402 I CA 1.528 62.420 61.300 -0.679 0.000 1.317 402 I CB -1.794 35.436 38.000 -1.282 0.000 1.031 402 I HN 0.340 nan 8.210 nan 0.000 0.401 403 L N -0.004 120.902 121.223 -0.528 0.000 2.017 403 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 403 L C 2.677 179.394 176.870 -0.255 0.000 1.073 403 L CA 0.977 55.569 54.840 -0.413 0.000 0.745 403 L CB -0.688 41.068 42.059 -0.505 0.000 0.894 403 L HN 0.040 nan 8.230 nan 0.000 0.432 404 V N -0.355 119.396 119.914 -0.270 0.000 2.379 404 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 404 V C 2.161 178.172 176.094 -0.138 0.000 1.044 404 V CA 2.002 64.175 62.300 -0.212 0.000 1.036 404 V CB -0.479 31.167 31.823 -0.294 0.000 0.664 404 V HN 0.463 nan 8.190 nan 0.000 0.453 405 D N 0.357 120.667 120.400 -0.149 0.000 2.104 405 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 405 D C 2.130 178.362 176.300 -0.114 0.000 0.994 405 D CA 1.643 55.574 54.000 -0.116 0.000 0.830 405 D CB -0.180 40.568 40.800 -0.086 0.000 0.959 405 D HN 0.348 nan 8.370 nan 0.000 0.452 406 A N -0.418 122.337 122.820 -0.108 0.000 1.849 406 A HA -0.243 4.076 4.320 -0.000 0.000 0.217 406 A C 2.323 179.863 177.584 -0.073 0.000 1.202 406 A CA 1.925 53.913 52.037 -0.083 0.000 0.629 406 A CB -1.626 17.316 19.000 -0.097 0.000 0.834 406 A HN 0.521 nan 8.150 nan 0.000 0.447 407 Y N -0.353 119.859 120.300 -0.148 0.000 2.081 407 Y HA -0.259 4.290 4.550 -0.000 0.000 0.280 407 Y C 2.385 178.208 175.900 -0.129 0.000 1.163 407 Y CA 2.404 60.428 58.100 -0.127 0.000 1.135 407 Y CB -0.212 38.165 38.460 -0.139 0.000 0.970 407 Y HN 0.236 nan 8.280 nan 0.000 0.498 408 M N 0.001 119.628 119.600 0.044 0.000 2.358 408 M HA -0.151 4.329 4.480 -0.000 0.000 0.264 408 M C 1.351 177.558 176.300 -0.155 0.000 1.064 408 M CA 1.536 56.816 55.300 -0.034 0.000 1.093 408 M CB -0.778 31.776 32.600 -0.077 0.000 1.401 408 M HN 0.178 nan 8.290 nan 0.000 0.440 409 K N -0.612 119.665 120.400 -0.205 0.000 2.446 409 K HA 0.296 4.616 4.320 -0.000 0.000 0.203 409 K C 0.842 177.369 176.600 -0.121 0.000 1.027 409 K CA 0.325 56.444 56.287 -0.280 0.000 1.166 409 K CB 0.046 32.259 32.500 -0.478 0.000 0.869 409 K HN 0.445 nan 8.250 nan 0.000 0.504 410 G N 0.477 109.175 108.800 -0.170 0.000 2.143 410 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.249 410 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.249 410 G C 0.071 174.895 174.900 -0.126 0.000 0.981 410 G CA 0.076 45.087 45.100 -0.149 0.000 0.665 410 G HN 0.159 nan 8.290 nan 0.000 0.528 411 V N 1.309 121.143 119.914 -0.133 0.000 2.154 411 V HA 0.320 4.440 4.120 -0.000 0.000 0.265 411 V C 0.621 176.641 176.094 -0.123 0.000 1.293 411 V CA -0.163 62.086 62.300 -0.085 0.000 1.205 411 V CB 0.414 32.214 31.823 -0.037 0.000 1.306 411 V HN 0.342 nan 8.190 nan 0.000 0.479 412 K N 2.272 122.573 120.400 -0.164 0.000 2.183 412 K HA 0.563 4.882 4.320 -0.000 0.000 0.274 412 K C 0.069 176.659 176.600 -0.016 0.000 1.009 412 K CA -0.550 55.648 56.287 -0.149 0.000 0.888 412 K CB 2.141 34.462 32.500 -0.298 0.000 1.078 412 K HN 0.461 nan 8.250 nan 0.000 0.459 413 V N -0.466 119.483 119.914 0.059 0.000 3.319 413 V HA 0.044 4.164 4.120 -0.000 0.000 0.303 413 V C 0.674 176.817 176.094 0.082 0.000 1.094 413 V CA -0.181 62.162 62.300 0.071 0.000 1.106 413 V CB 0.721 32.599 31.823 0.092 0.000 1.099 413 V HN 0.665 nan 8.190 nan 0.000 0.476 414 D N 0.300 120.749 120.400 0.082 0.000 2.085 414 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 414 D C 0.980 177.327 176.300 0.078 0.000 0.981 414 D CA 1.685 55.729 54.000 0.074 0.000 0.834 414 D CB -0.255 40.588 40.800 0.072 0.000 0.992 414 D HN 0.840 nan 8.370 nan 0.000 0.457 415 D N 0.690 121.141 120.400 0.086 0.000 2.600 415 D HA 0.006 4.646 4.640 -0.000 0.000 0.226 415 D C 1.194 177.548 176.300 0.091 0.000 1.119 415 D CA -0.126 53.922 54.000 0.081 0.000 1.051 415 D CB -0.532 40.317 40.800 0.082 0.000 1.106 415 D HN 0.108 nan 8.370 nan 0.000 0.491 416 I N 1.453 122.073 120.570 0.083 0.000 2.567 416 I HA -0.254 3.916 4.170 -0.000 0.000 0.257 416 I C 2.280 178.429 176.117 0.053 0.000 1.184 416 I CA 1.322 62.668 61.300 0.076 0.000 1.451 416 I CB 0.216 38.262 38.000 0.077 0.000 1.089 416 I HN 0.242 nan 8.210 nan 0.000 0.441 417 K N -0.163 120.268 120.400 0.053 0.000 2.007 417 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 417 K C 1.894 178.549 176.600 0.091 0.000 1.047 417 K CA 1.964 58.286 56.287 0.057 0.000 0.937 417 K CB -1.772 30.751 32.500 0.039 0.000 0.718 417 K HN 0.434 nan 8.250 nan 0.000 0.438 418 T N 1.470 116.080 114.554 0.094 0.000 2.833 418 T HA -0.131 4.218 4.350 -0.000 0.000 0.269 418 T C 1.936 176.714 174.700 0.130 0.000 1.054 418 T CA 1.285 63.462 62.100 0.129 0.000 1.135 418 T CB -0.345 68.603 68.868 0.133 0.000 0.869 418 T HN 0.322 nan 8.240 nan 0.000 0.466 419 L N 0.524 121.834 121.223 0.145 0.000 1.990 419 L HA -0.125 4.215 4.340 -0.000 0.000 0.213 419 L C 2.134 179.065 176.870 0.102 0.000 1.072 419 L CA 1.841 56.788 54.840 0.178 0.000 0.755 419 L CB -1.104 41.027 42.059 0.121 0.000 0.889 419 L HN 0.273 nan 8.230 nan 0.000 0.432 420 Y N 0.394 120.653 120.300 -0.069 0.000 2.314 420 Y HA -0.121 4.429 4.550 -0.000 0.000 0.293 420 Y C 2.428 178.252 175.900 -0.127 0.000 1.129 420 Y CA 1.774 59.797 58.100 -0.128 0.000 1.201 420 Y CB -0.073 38.298 38.460 -0.148 0.000 0.999 420 Y HN 0.423 nan 8.280 nan 0.000 0.541 421 E N -0.839 119.317 120.200 -0.073 0.000 2.077 421 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 421 E C 2.392 178.774 176.600 -0.364 0.000 0.989 421 E CA 0.949 57.265 56.400 -0.140 0.000 0.800 421 E CB -0.461 29.248 29.700 0.015 0.000 0.746 421 E HN 0.603 nan 8.360 nan 0.000 0.452 422 G N 1.327 109.746 108.800 -0.635 0.000 2.418 422 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.217 422 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.217 422 G C 1.607 176.101 174.900 -0.676 0.000 1.158 422 G CA 0.382 44.666 45.100 -1.360 0.000 0.771 422 G HN 0.071 nan 8.290 nan 0.000 0.545 423 L N 0.435 121.457 121.223 -0.335 0.000 2.017 423 L HA -0.055 4.284 4.340 -0.000 0.000 0.208 423 L C 2.798 179.462 176.870 -0.342 0.000 1.073 423 L CA 0.537 55.218 54.840 -0.265 0.000 0.745 423 L CB -0.284 41.559 42.059 -0.359 0.000 0.894 423 L HN 0.123 nan 8.230 nan 0.000 0.432 424 I N -0.677 119.628 120.570 -0.441 0.000 2.252 424 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 424 I C 2.603 178.620 176.117 -0.168 0.000 1.102 424 I CA 1.504 62.632 61.300 -0.287 0.000 1.385 424 I CB -1.542 36.275 38.000 -0.305 0.000 1.064 424 I HN 0.435 nan 8.210 nan 0.000 0.414 425 H N 1.629 120.507 119.070 -0.319 0.000 2.421 425 H HA -0.101 4.455 4.556 -0.000 0.000 0.298 425 H C 2.075 177.227 175.328 -0.292 0.000 1.087 425 H CA 1.728 57.591 56.048 -0.308 0.000 1.330 425 H CB -0.249 29.288 29.762 -0.375 0.000 1.388 425 H HN 0.279 nan 8.280 nan 0.000 0.526 426 G N -0.043 108.777 108.800 0.033 0.000 2.418 426 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 426 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 426 G C 1.942 176.780 174.900 -0.103 0.000 1.158 426 G CA 1.831 46.971 45.100 0.066 0.000 0.771 426 G HN 0.615 nan 8.290 nan 0.000 0.545 427 T N 0.206 114.678 114.554 -0.138 0.000 2.788 427 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 427 T C 1.839 176.378 174.700 -0.267 0.000 1.044 427 T CA 1.723 63.739 62.100 -0.139 0.000 1.139 427 T CB -0.256 68.637 68.868 0.042 0.000 0.867 427 T HN 0.609 nan 8.240 nan 0.000 0.454 428 E N 0.940 120.916 120.200 -0.372 0.000 2.451 428 E HA 0.210 4.560 4.350 -0.000 0.000 0.194 428 E C -0.190 175.742 176.600 -1.113 0.000 1.027 428 E CA -0.624 55.426 56.400 -0.583 0.000 0.914 428 E CB 0.093 29.646 29.700 -0.246 0.000 1.054 428 E HN 0.395 nan 8.360 nan 0.000 0.461 429 N N 0.330 118.404 118.700 -1.044 0.000 2.396 429 N HA 0.344 5.084 4.740 -0.000 0.000 0.275 429 N C -1.892 173.498 175.510 -0.201 0.000 1.218 429 N CA -0.556 52.070 53.050 -0.707 0.000 0.812 429 N CB 2.645 40.763 38.487 -0.615 0.000 1.592 429 N HN -0.022 nan 8.380 nan 0.000 0.480 430 V N 0.406 120.395 119.914 0.124 0.000 3.040 430 V HA 0.313 4.433 4.120 -0.000 0.000 0.312 430 V C -0.897 175.314 176.094 0.196 0.000 1.115 430 V CA -0.576 61.828 62.300 0.174 0.000 0.998 430 V CB 2.230 34.183 31.823 0.218 0.000 1.042 430 V HN 0.818 nan 8.190 nan 0.000 0.433 431 H N 5.759 124.672 119.070 -0.262 0.000 2.525 431 H HA 0.444 5.000 4.556 -0.000 0.000 0.339 431 H C -1.985 173.319 175.328 -0.041 0.000 1.109 431 H CA -1.390 54.498 56.048 -0.267 0.000 1.352 431 H CB 2.080 31.431 29.762 -0.685 0.000 1.461 431 H HN 0.407 nan 8.280 nan 0.000 0.533 432 P HA -0.025 nan 4.420 nan 0.000 0.236 432 P C 0.103 177.414 177.300 0.019 0.000 1.177 432 P CA 0.856 63.899 63.100 -0.095 0.000 0.773 432 P CB 0.545 32.165 31.700 -0.135 0.000 0.878 433 E N -1.485 118.842 120.200 0.212 0.000 2.441 433 E HA 0.143 4.493 4.350 -0.000 0.000 0.212 433 E C -0.028 176.713 176.600 0.236 0.000 0.840 433 E CA 0.333 56.886 56.400 0.256 0.000 1.143 433 E CB 0.887 30.768 29.700 0.301 0.000 1.153 433 E HN -0.009 nan 8.360 nan 0.000 0.539 434 V N 3.348 123.460 119.914 0.331 0.000 2.305 434 V HA 0.046 4.166 4.120 -0.000 0.000 0.275 434 V C 1.186 177.264 176.094 -0.026 0.000 1.020 434 V CA -0.023 62.266 62.300 -0.018 0.000 0.811 434 V CB 1.198 32.824 31.823 -0.329 0.000 1.031 434 V HN 0.190 nan 8.190 nan 0.000 0.439 435 S N 2.535 118.243 115.700 0.014 0.000 2.423 435 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 435 S C 1.827 176.438 174.600 0.017 0.000 1.014 435 S CA 1.197 59.414 58.200 0.028 0.000 0.965 435 S CB -0.209 63.016 63.200 0.041 0.000 0.785 435 S HN 0.877 nan 8.310 nan 0.000 0.495 436 S N 0.375 116.077 115.700 0.004 0.000 2.607 436 S HA 0.129 4.599 4.470 -0.000 0.000 0.224 436 S C 0.454 175.056 174.600 0.002 0.000 0.969 436 S CA -0.160 58.063 58.200 0.039 0.000 0.927 436 S CB -0.590 62.655 63.200 0.075 0.000 0.772 436 S HN 0.429 nan 8.310 nan 0.000 0.533 437 T N 2.438 116.908 114.554 -0.139 0.000 2.795 437 T HA 0.655 5.005 4.350 -0.000 0.000 0.282 437 T C 0.567 175.019 174.700 -0.414 0.000 0.980 437 T CA 0.246 62.150 62.100 -0.326 0.000 1.012 437 T CB 0.954 69.403 68.868 -0.699 0.000 0.936 437 T HN 0.808 nan 8.240 nan 0.000 0.457 438 G N 2.858 111.487 108.800 -0.284 0.000 2.796 438 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.226 438 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.226 438 G C -0.765 174.147 174.900 0.021 0.000 1.381 438 G CA -0.918 44.151 45.100 -0.053 0.000 0.867 438 G HN 0.808 nan 8.290 nan 0.000 0.552 439 R N 0.008 120.516 120.500 0.013 0.000 2.230 439 R HA 0.372 4.712 4.340 -0.000 0.000 0.337 439 R C 0.447 176.862 176.300 0.192 0.000 1.063 439 R CA -0.810 55.300 56.100 0.015 0.000 0.935 439 R CB 0.985 31.049 30.300 -0.393 0.000 1.121 439 R HN 0.580 nan 8.270 nan 0.000 0.486 440 L N 1.903 123.283 121.223 0.262 0.000 2.485 440 L HA 0.206 4.546 4.340 -0.000 0.000 0.275 440 L C 1.146 178.202 176.870 0.309 0.000 1.207 440 L CA 1.274 56.264 54.840 0.250 0.000 0.855 440 L CB 0.476 42.641 42.059 0.176 0.000 1.114 440 L HN 0.904 nan 8.230 nan 0.000 0.485 441 G N 3.496 112.442 108.800 0.243 0.000 2.160 441 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.251 441 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.251 441 G C 0.481 175.524 174.900 0.239 0.000 1.008 441 G CA 0.917 46.167 45.100 0.249 0.000 0.724 441 G HN 1.280 nan 8.290 nan 0.000 0.514 442 Y N -0.042 120.316 120.300 0.098 0.000 2.403 442 Y HA 0.155 4.705 4.550 -0.000 0.000 0.291 442 Y C 2.062 177.992 175.900 0.050 0.000 1.143 442 Y CA 1.503 59.637 58.100 0.056 0.000 1.257 442 Y CB -0.461 37.977 38.460 -0.038 0.000 0.984 442 Y HN 0.377 nan 8.280 nan 0.000 0.550 443 E N 0.464 120.297 120.200 -0.612 0.000 2.038 443 E HA -0.195 4.154 4.350 -0.000 0.000 0.195 443 E C 1.738 178.160 176.600 -0.297 0.000 1.000 443 E CA 2.066 58.111 56.400 -0.591 0.000 0.803 443 E CB -0.946 28.308 29.700 -0.743 0.000 0.750 443 E HN 0.623 nan 8.360 nan 0.000 0.448 444 Y N -0.678 119.545 120.300 -0.128 0.000 2.200 444 Y HA -0.176 4.374 4.550 -0.000 0.000 0.290 444 Y C 2.350 178.203 175.900 -0.078 0.000 1.137 444 Y CA 1.278 59.303 58.100 -0.125 0.000 1.163 444 Y CB -0.789 37.589 38.460 -0.137 0.000 0.988 444 Y HN 0.152 nan 8.280 nan 0.000 0.518 445 Y N 0.797 121.168 120.300 0.119 0.000 2.181 445 Y HA -0.240 4.310 4.550 -0.000 0.000 0.288 445 Y C 1.985 177.922 175.900 0.061 0.000 1.146 445 Y CA 1.867 60.036 58.100 0.116 0.000 1.164 445 Y CB -0.670 37.937 38.460 0.246 0.000 0.982 445 Y HN 0.147 nan 8.280 nan 0.000 0.515 446 N N -0.338 118.439 118.700 0.129 0.000 2.142 446 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 446 N C 1.651 177.113 175.510 -0.080 0.000 1.023 446 N CA 1.156 54.209 53.050 0.005 0.000 0.852 446 N CB -0.054 38.482 38.487 0.082 0.000 0.998 446 N HN 0.338 nan 8.380 nan 0.000 0.424 447 K N 0.574 120.931 120.400 -0.072 0.000 2.031 447 K HA 0.021 4.341 4.320 -0.000 0.000 0.205 447 K C 1.662 178.209 176.600 -0.089 0.000 1.049 447 K CA 0.890 57.128 56.287 -0.082 0.000 0.939 447 K CB 0.103 32.553 32.500 -0.083 0.000 0.717 447 K HN 0.120 nan 8.250 nan 0.000 0.438 448 L N -1.254 119.899 121.223 -0.116 0.000 2.513 448 L HA 0.231 4.571 4.340 -0.000 0.000 0.222 448 L C 1.109 177.941 176.870 -0.064 0.000 1.096 448 L CA 0.319 55.086 54.840 -0.122 0.000 0.857 448 L CB 0.352 42.221 42.059 -0.317 0.000 1.026 448 L HN 0.452 nan 8.230 nan 0.000 0.469 449 G N 0.219 108.926 108.800 -0.156 0.000 2.143 449 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.249 449 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.249 449 G C 0.006 174.900 174.900 -0.010 0.000 0.981 449 G CA 0.455 45.447 45.100 -0.180 0.000 0.665 449 G HN 0.497 nan 8.290 nan 0.000 0.528 450 Y N -3.177 117.083 120.300 -0.067 0.000 2.713 450 Y HA 0.692 5.242 4.550 -0.000 0.000 0.335 450 Y C -0.845 175.153 175.900 0.163 0.000 1.222 450 Y CA -1.628 56.527 58.100 0.091 0.000 1.061 450 Y CB 0.906 39.372 38.460 0.009 0.000 1.314 450 Y HN 0.433 nan 8.280 nan 0.000 0.453 451 V N 2.986 123.067 119.914 0.279 0.000 2.417 451 V HA 0.525 4.645 4.120 -0.000 0.000 0.291 451 V C -2.377 173.742 176.094 0.042 0.000 1.024 451 V CA -2.050 60.294 62.300 0.075 0.000 0.861 451 V CB 1.437 33.344 31.823 0.140 0.000 0.985 451 V HN 0.609 nan 8.190 nan 0.000 0.436 452 P HA 0.162 nan 4.420 nan 0.000 0.274 452 P C -0.193 177.062 177.300 -0.076 0.000 1.237 452 P CA -0.083 62.947 63.100 -0.116 0.000 0.793 452 P CB 0.625 32.065 31.700 -0.432 0.000 0.977 453 Y N 1.687 121.910 120.300 -0.130 0.000 2.523 453 Y HA -0.005 4.545 4.550 -0.000 0.000 0.279 453 Y C 0.789 176.619 175.900 -0.115 0.000 1.139 453 Y CA 1.162 59.181 58.100 -0.134 0.000 1.296 453 Y CB -0.060 38.323 38.460 -0.128 0.000 1.045 453 Y HN 0.346 nan 8.280 nan 0.000 0.538 454 D N -1.811 118.589 120.400 -0.001 0.000 2.469 454 D HA 0.041 4.681 4.640 -0.000 0.000 0.215 454 D C 0.644 176.894 176.300 -0.082 0.000 1.154 454 D CA 0.524 54.515 54.000 -0.015 0.000 0.832 454 D CB -0.318 40.512 40.800 0.050 0.000 1.008 454 D HN 0.127 nan 8.370 nan 0.000 0.506 455 V N -2.348 117.470 119.914 -0.159 0.000 3.499 455 V HA 0.294 4.413 4.120 -0.000 0.000 0.308 455 V C 0.445 176.505 176.094 -0.058 0.000 1.319 455 V CA -0.566 61.664 62.300 -0.117 0.000 1.194 455 V CB -0.883 30.776 31.823 -0.274 0.000 1.072 455 V HN 0.015 nan 8.190 nan 0.000 0.426 456 K N -0.097 120.248 120.400 -0.092 0.000 3.230 456 K HA -0.156 4.164 4.320 -0.000 0.000 0.285 456 K C -0.314 176.249 176.600 -0.063 0.000 1.196 456 K CA 0.760 57.003 56.287 -0.074 0.000 0.838 456 K CB -2.090 30.391 32.500 -0.031 0.000 1.262 456 K HN 0.724 nan 8.250 nan 0.000 0.492 457 I N 1.748 122.263 120.570 -0.092 0.000 2.428 457 I HA 0.152 4.322 4.170 -0.000 0.000 0.279 457 I C 0.315 176.362 176.117 -0.117 0.000 1.040 457 I CA -0.847 60.415 61.300 -0.063 0.000 1.171 457 I CB 0.917 38.910 38.000 -0.013 0.000 1.312 457 I HN 0.043 nan 8.210 nan 0.000 0.470 458 N N 5.929 124.568 118.700 -0.102 0.000 2.381 458 N HA 0.021 4.761 4.740 -0.000 0.000 0.241 458 N C 0.550 175.964 175.510 -0.161 0.000 1.279 458 N CA 0.380 53.347 53.050 -0.138 0.000 0.896 458 N CB 0.408 38.878 38.487 -0.028 0.000 1.118 458 N HN 0.517 nan 8.380 nan 0.000 0.438 459 E N -1.181 118.873 120.200 -0.243 0.000 2.791 459 E HA -0.266 4.084 4.350 -0.000 0.000 0.271 459 E C 0.472 176.926 176.600 -0.244 0.000 1.044 459 E CA 0.443 56.692 56.400 -0.251 0.000 0.814 459 E CB -1.901 27.699 29.700 -0.168 0.000 1.400 459 E HN 0.741 nan 8.360 nan 0.000 0.423 460 N N 0.780 119.339 118.700 -0.235 0.000 2.166 460 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 460 N C 1.869 177.280 175.510 -0.165 0.000 1.019 460 N CA 1.479 54.429 53.050 -0.167 0.000 0.856 460 N CB -0.200 38.207 38.487 -0.133 0.000 0.993 460 N HN 0.284 nan 8.380 nan 0.000 0.426 461 A N 1.597 124.251 122.820 -0.277 0.000 1.877 461 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 461 A C 2.600 180.074 177.584 -0.183 0.000 1.186 461 A CA 1.871 53.755 52.037 -0.255 0.000 0.620 461 A CB -0.958 17.671 19.000 -0.618 0.000 0.822 461 A HN 0.462 nan 8.150 nan 0.000 0.443 462 A N 0.125 122.733 122.820 -0.353 0.000 1.877 462 A HA -0.190 4.129 4.320 -0.000 0.000 0.216 462 A C 2.238 179.739 177.584 -0.138 0.000 1.186 462 A CA 1.664 53.440 52.037 -0.436 0.000 0.620 462 A CB -0.510 18.106 19.000 -0.639 0.000 0.822 462 A HN 0.579 nan 8.150 nan 0.000 0.443 463 R N -0.831 119.518 120.500 -0.253 0.000 2.073 463 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 463 R C 2.288 178.175 176.300 -0.688 0.000 1.134 463 R CA 1.808 57.560 56.100 -0.580 0.000 0.952 463 R CB -1.084 28.844 30.300 -0.620 0.000 0.850 463 R HN 0.512 nan 8.270 nan 0.000 0.433 464 T N 1.971 116.393 114.554 -0.221 0.000 2.635 464 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 464 T C 1.937 176.799 174.700 0.271 0.000 1.040 464 T CA 1.437 63.625 62.100 0.146 0.000 1.156 464 T CB -0.290 68.729 68.868 0.251 0.000 0.863 464 T HN 0.122 nan 8.240 nan 0.000 0.430 465 L N 0.507 121.876 121.223 0.244 0.000 2.017 465 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 465 L C 2.765 179.893 176.870 0.430 0.000 1.073 465 L CA 1.573 56.639 54.840 0.376 0.000 0.745 465 L CB -0.550 41.750 42.059 0.401 0.000 0.894 465 L HN 0.352 nan 8.230 nan 0.000 0.432 466 E N -1.193 119.229 120.200 0.371 0.000 2.158 466 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 466 E C 2.152 178.976 176.600 0.373 0.000 0.982 466 E CA 0.614 57.265 56.400 0.418 0.000 0.823 466 E CB -0.045 29.889 29.700 0.390 0.000 0.766 466 E HN 0.377 nan 8.360 nan 0.000 0.468 467 Y N 1.139 121.525 120.300 0.142 0.000 2.151 467 Y HA -0.236 4.313 4.550 -0.000 0.000 0.284 467 Y C 2.463 178.449 175.900 0.143 0.000 1.166 467 Y CA 0.818 58.892 58.100 -0.043 0.000 1.163 467 Y CB -1.142 37.006 38.460 -0.520 0.000 0.974 467 Y HN 0.051 nan 8.280 nan 0.000 0.511 468 A N -0.498 122.632 122.820 0.518 0.000 1.858 468 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 468 A C 2.195 179.907 177.584 0.213 0.000 1.190 468 A CA 1.760 54.100 52.037 0.505 0.000 0.617 468 A CB -1.575 17.819 19.000 0.657 0.000 0.827 468 A HN 0.538 nan 8.150 nan 0.000 0.443 469 Y N 1.374 121.728 120.300 0.090 0.000 2.224 469 Y HA -0.215 4.334 4.550 -0.000 0.000 0.289 469 Y C 1.688 177.545 175.900 -0.072 0.000 1.146 469 Y CA 1.853 59.838 58.100 -0.193 0.000 1.182 469 Y CB -0.296 38.277 38.460 0.189 0.000 0.983 469 Y HN 0.354 nan 8.280 nan 0.000 0.524 470 D N 0.410 120.661 120.400 -0.248 0.000 2.117 470 D HA -0.188 4.452 4.640 -0.000 0.000 0.197 470 D C 1.725 177.867 176.300 -0.262 0.000 0.987 470 D CA 1.671 55.454 54.000 -0.362 0.000 0.829 470 D CB -0.389 40.334 40.800 -0.128 0.000 0.961 470 D HN 0.471 nan 8.370 nan 0.000 0.460 471 D N -0.284 120.089 120.400 -0.045 0.000 2.117 471 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 471 D C 1.887 178.169 176.300 -0.030 0.000 0.987 471 D CA 0.503 54.550 54.000 0.077 0.000 0.829 471 D CB -0.510 40.508 40.800 0.362 0.000 0.961 471 D HN 0.363 nan 8.370 nan 0.000 0.460 472 W N 1.292 122.414 121.300 -0.298 0.000 2.364 472 W HA -0.246 4.414 4.660 -0.000 0.000 0.281 472 W C 2.088 178.454 176.519 -0.255 0.000 1.219 472 W CA 0.893 58.034 57.345 -0.341 0.000 1.220 472 W CB -0.236 28.881 29.460 -0.572 0.000 1.127 472 W HN -0.044 nan 8.180 nan 0.000 0.556 473 C N 0.122 119.225 119.300 -0.329 0.000 2.489 473 C HA -0.130 4.329 4.460 -0.000 0.000 0.279 473 C C 2.675 177.328 174.990 -0.562 0.000 1.266 473 C CA 1.170 59.873 59.018 -0.526 0.000 1.707 473 C CB -1.372 26.074 27.740 -0.490 0.000 2.059 473 C HN 0.351 nan 8.230 nan 0.000 0.481 474 I N 0.286 120.548 120.570 -0.513 0.000 2.069 474 I HA -0.324 3.846 4.170 -0.000 0.000 0.237 474 I C 2.462 178.271 176.117 -0.512 0.000 1.053 474 I CA 2.455 63.392 61.300 -0.605 0.000 1.311 474 I CB -0.892 36.498 38.000 -1.017 0.000 1.030 474 I HN 0.432 nan 8.210 nan 0.000 0.398 475 Y N 1.822 121.804 120.300 -0.530 0.000 2.073 475 Y HA -0.401 4.149 4.550 -0.000 0.000 0.270 475 Y C 2.715 178.367 175.900 -0.414 0.000 1.226 475 Y CA 1.829 59.731 58.100 -0.330 0.000 1.117 475 Y CB -0.327 37.966 38.460 -0.278 0.000 0.939 475 Y HN 0.007 nan 8.280 nan 0.000 0.504 476 R N 0.037 120.001 120.500 -0.894 0.000 2.081 476 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 476 R C 2.257 178.168 176.300 -0.649 0.000 1.131 476 R CA 1.536 57.061 56.100 -0.959 0.000 0.960 476 R CB -1.082 28.579 30.300 -1.065 0.000 0.856 476 R HN 0.489 nan 8.270 nan 0.000 0.436 477 L N 0.682 121.589 121.223 -0.527 0.000 2.056 477 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 477 L C 2.231 178.848 176.870 -0.423 0.000 1.078 477 L CA 1.941 56.522 54.840 -0.432 0.000 0.749 477 L CB -0.765 41.084 42.059 -0.350 0.000 0.901 477 L HN 0.118 nan 8.230 nan 0.000 0.433 478 A N -0.678 121.918 122.820 -0.374 0.000 1.902 478 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 478 A C 2.453 179.834 177.584 -0.338 0.000 1.181 478 A CA 2.043 53.879 52.037 -0.336 0.000 0.623 478 A CB -0.596 18.313 19.000 -0.151 0.000 0.818 478 A HN 0.473 nan 8.150 nan 0.000 0.443 479 K N -0.527 119.635 120.400 -0.398 0.000 2.057 479 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 479 K C 2.071 178.522 176.600 -0.249 0.000 1.049 479 K CA 1.713 57.809 56.287 -0.318 0.000 0.931 479 K CB -0.102 32.142 32.500 -0.427 0.000 0.714 479 K HN 0.448 nan 8.250 nan 0.000 0.440 480 E N 0.491 120.523 120.200 -0.280 0.000 2.072 480 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 480 E C 1.441 177.925 176.600 -0.193 0.000 0.985 480 E CA 1.185 57.467 56.400 -0.196 0.000 0.801 480 E CB -0.087 29.509 29.700 -0.174 0.000 0.750 480 E HN 0.222 nan 8.360 nan 0.000 0.452 481 L N 0.531 121.578 121.223 -0.293 0.000 2.610 481 L HA 0.162 4.502 4.340 -0.000 0.000 0.232 481 L C 0.488 177.218 176.870 -0.233 0.000 1.149 481 L CA 0.621 55.279 54.840 -0.303 0.000 0.872 481 L CB -0.457 41.312 42.059 -0.483 0.000 0.992 481 L HN 0.067 nan 8.230 nan 0.000 0.447 482 K N 0.120 120.401 120.400 -0.198 0.000 3.150 482 K HA -0.188 4.132 4.320 -0.000 0.000 0.267 482 K C -0.109 176.399 176.600 -0.153 0.000 1.028 482 K CA 0.299 56.500 56.287 -0.143 0.000 0.753 482 K CB -0.790 31.650 32.500 -0.099 0.000 1.288 482 K HN 0.110 nan 8.250 nan 0.000 0.473 483 R N -0.024 120.354 120.500 -0.204 0.000 2.679 483 R HA 0.178 4.518 4.340 -0.000 0.000 0.269 483 R C -2.099 174.148 176.300 -0.089 0.000 1.076 483 R CA -1.693 54.294 56.100 -0.188 0.000 1.160 483 R CB -0.204 29.936 30.300 -0.267 0.000 1.054 483 R HN -0.019 nan 8.270 nan 0.000 0.507 484 P HA 0.052 nan 4.420 nan 0.000 0.266 484 P C 0.246 177.551 177.300 0.009 0.000 1.195 484 P CA 0.174 63.265 63.100 -0.016 0.000 0.768 484 P CB 0.493 32.192 31.700 -0.002 0.000 0.838 485 K N 2.685 123.094 120.400 0.015 0.000 2.280 485 K HA -0.178 4.142 4.320 -0.000 0.000 0.202 485 K C 1.749 178.384 176.600 0.058 0.000 1.047 485 K CA 1.282 57.591 56.287 0.037 0.000 0.942 485 K CB -0.059 32.460 32.500 0.032 0.000 0.739 485 K HN 0.532 nan 8.250 nan 0.000 0.457 486 K N 1.208 121.636 120.400 0.047 0.000 2.097 486 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 486 K C 1.533 178.178 176.600 0.075 0.000 1.049 486 K CA 1.385 57.701 56.287 0.048 0.000 0.933 486 K CB -0.049 32.468 32.500 0.029 0.000 0.717 486 K HN 0.100 nan 8.250 nan 0.000 0.442 487 E N 1.070 121.334 120.200 0.107 0.000 2.051 487 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 487 E C 2.189 178.962 176.600 0.288 0.000 0.991 487 E CA 1.434 57.953 56.400 0.199 0.000 0.799 487 E CB -0.228 29.619 29.700 0.246 0.000 0.748 487 E HN 0.409 nan 8.360 nan 0.000 0.449 488 I N 0.992 121.696 120.570 0.223 0.000 2.208 488 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 488 I C 2.528 178.856 176.117 0.352 0.000 1.097 488 I CA 0.815 62.285 61.300 0.283 0.000 1.363 488 I CB -0.206 37.899 38.000 0.174 0.000 1.051 488 I HN -0.012 nan 8.210 nan 0.000 0.413 489 S N 0.629 116.459 115.700 0.216 0.000 2.368 489 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 489 S C 1.876 176.540 174.600 0.107 0.000 1.029 489 S CA 1.052 59.349 58.200 0.160 0.000 0.988 489 S CB -0.294 62.963 63.200 0.095 0.000 0.838 489 S HN 0.307 nan 8.310 nan 0.000 0.462 490 L N 0.854 122.101 121.223 0.040 0.000 2.012 490 L HA -0.032 4.308 4.340 -0.000 0.000 0.210 490 L C 1.713 178.481 176.870 -0.170 0.000 1.073 490 L CA 1.985 56.745 54.840 -0.133 0.000 0.748 490 L CB -0.883 40.997 42.059 -0.298 0.000 0.891 490 L HN 0.247 nan 8.230 nan 0.000 0.431 491 F N -0.273 119.739 119.950 0.102 0.000 2.234 491 F HA 0.078 4.605 4.527 -0.000 0.000 0.296 491 F C 2.504 178.348 175.800 0.074 0.000 1.089 491 F CA 0.963 59.022 58.000 0.099 0.000 1.343 491 F CB -1.194 37.870 39.000 0.105 0.000 1.040 491 F HN 0.172 nan 8.300 nan 0.000 0.498 492 A N 0.001 122.967 122.820 0.244 0.000 1.917 492 A HA -0.287 4.032 4.320 -0.000 0.000 0.219 492 A C 2.165 179.875 177.584 0.210 0.000 1.182 492 A CA 2.140 54.212 52.037 0.059 0.000 0.633 492 A CB -0.649 18.443 19.000 0.154 0.000 0.819 492 A HN 0.236 nan 8.150 nan 0.000 0.448 493 K N 0.096 120.586 120.400 0.149 0.000 2.057 493 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 493 K C 2.099 178.764 176.600 0.108 0.000 1.050 493 K CA 1.529 57.881 56.287 0.109 0.000 0.935 493 K CB -0.279 32.244 32.500 0.038 0.000 0.715 493 K HN 0.522 nan 8.250 nan 0.000 0.439 494 R N -0.185 120.377 120.500 0.102 0.000 2.115 494 R HA 0.020 4.360 4.340 -0.000 0.000 0.230 494 R C 2.279 178.740 176.300 0.267 0.000 1.111 494 R CA 0.948 57.127 56.100 0.133 0.000 0.976 494 R CB -0.510 29.886 30.300 0.160 0.000 0.870 494 R HN 0.219 nan 8.270 nan 0.000 0.445 495 A N 1.422 124.406 122.820 0.274 0.000 1.997 495 A HA -0.186 4.134 4.320 -0.000 0.000 0.221 495 A C 1.983 179.920 177.584 0.587 0.000 1.172 495 A CA 1.519 53.759 52.037 0.339 0.000 0.645 495 A CB -0.294 18.797 19.000 0.152 0.000 0.813 495 A HN 0.126 nan 8.150 nan 0.000 0.454 496 M N -0.429 119.409 119.600 0.396 0.000 2.595 496 M HA 0.022 4.502 4.480 -0.000 0.000 0.248 496 M C 1.208 177.487 176.300 -0.035 0.000 1.119 496 M CA 0.435 55.849 55.300 0.190 0.000 1.079 496 M CB -1.651 31.004 32.600 0.092 0.000 1.472 496 M HN 0.383 nan 8.290 nan 0.000 0.501 497 N N 0.948 119.742 118.700 0.158 0.000 2.247 497 N HA -0.222 4.518 4.740 -0.000 0.000 0.189 497 N C 1.455 177.055 175.510 0.150 0.000 1.009 497 N CA 1.382 54.505 53.050 0.122 0.000 0.872 497 N CB -0.575 38.015 38.487 0.171 0.000 0.980 497 N HN 0.626 nan 8.380 nan 0.000 0.436 498 Y N -0.277 120.183 120.300 0.267 0.000 2.403 498 Y HA 0.021 4.570 4.550 -0.000 0.000 0.291 498 Y C 1.780 177.784 175.900 0.172 0.000 1.143 498 Y CA 0.788 59.031 58.100 0.238 0.000 1.257 498 Y CB -0.514 38.090 38.460 0.240 0.000 0.984 498 Y HN -0.136 nan 8.280 nan 0.000 0.550 499 K N 0.756 120.823 120.400 -0.555 0.000 2.152 499 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 499 K C 1.283 177.878 176.600 -0.009 0.000 1.048 499 K CA 1.399 57.499 56.287 -0.312 0.000 0.933 499 K CB -0.199 32.080 32.500 -0.369 0.000 0.721 499 K HN 0.380 nan 8.250 nan 0.000 0.447 500 N N 0.373 119.065 118.700 -0.013 0.000 2.571 500 N HA -0.055 4.684 4.740 -0.000 0.000 0.189 500 N C 0.761 176.221 175.510 -0.082 0.000 1.154 500 N CA 0.821 53.846 53.050 -0.041 0.000 0.907 500 N CB 0.312 38.783 38.487 -0.027 0.000 0.977 500 N HN 0.230 nan 8.380 nan 0.000 0.449 501 L N -0.976 120.308 121.223 0.101 0.000 2.966 501 L HA 0.271 4.610 4.340 -0.000 0.000 0.262 501 L C -0.029 177.020 176.870 0.298 0.000 1.165 501 L CA -0.327 54.616 54.840 0.171 0.000 0.978 501 L CB 0.295 42.435 42.059 0.135 0.000 1.337 501 L HN -0.075 nan 8.230 nan 0.000 0.563 502 F N 2.243 122.251 119.950 0.097 0.000 2.495 502 F HA 0.169 4.695 4.527 -0.000 0.000 0.365 502 F C 0.426 176.079 175.800 -0.246 0.000 1.090 502 F CA -0.576 57.400 58.000 -0.041 0.000 1.235 502 F CB 0.539 39.529 39.000 -0.017 0.000 1.119 502 F HN -0.105 nan 8.300 nan 0.000 0.562 503 D N 5.769 125.409 120.400 -1.266 0.000 2.473 503 D HA 0.179 4.819 4.640 -0.000 0.000 0.226 503 D C 0.671 176.208 176.300 -1.272 0.000 1.089 503 D CA -0.325 52.870 54.000 -1.341 0.000 0.883 503 D CB 0.916 40.984 40.800 -1.220 0.000 1.029 503 D HN 0.620 nan 8.370 nan 0.000 0.517 504 K N 1.977 121.823 120.400 -0.924 0.000 2.173 504 K HA -0.226 4.094 4.320 -0.000 0.000 0.207 504 K C 1.567 177.927 176.600 -0.400 0.000 1.046 504 K CA 1.327 57.290 56.287 -0.539 0.000 0.929 504 K CB 0.241 32.603 32.500 -0.230 0.000 0.720 504 K HN 0.526 nan 8.250 nan 0.000 0.453 505 E N 0.561 120.512 120.200 -0.416 0.000 2.017 505 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 505 E C 1.826 178.285 176.600 -0.234 0.000 0.997 505 E CA 1.858 58.096 56.400 -0.270 0.000 0.804 505 E CB 0.073 29.618 29.700 -0.258 0.000 0.757 505 E HN 0.366 nan 8.360 nan 0.000 0.448 506 S N -0.896 114.622 115.700 -0.304 0.000 2.501 506 S HA 0.079 4.549 4.470 -0.000 0.000 0.220 506 S C 0.789 175.246 174.600 -0.240 0.000 0.997 506 S CA 0.375 58.447 58.200 -0.213 0.000 0.919 506 S CB 0.388 63.513 63.200 -0.125 0.000 0.778 506 S HN 0.219 nan 8.310 nan 0.000 0.523 507 K N -0.256 119.921 120.400 -0.372 0.000 3.533 507 K HA -0.076 4.244 4.320 -0.000 0.000 0.289 507 K C -0.458 176.062 176.600 -0.133 0.000 1.317 507 K CA 0.565 56.748 56.287 -0.173 0.000 0.967 507 K CB -2.236 30.277 32.500 0.021 0.000 1.323 507 K HN 0.463 nan 8.250 nan 0.000 0.477 508 L N 0.966 121.950 121.223 -0.399 0.000 2.303 508 L HA 0.501 4.841 4.340 -0.000 0.000 0.266 508 L C 0.811 177.530 176.870 -0.253 0.000 1.011 508 L CA -1.217 53.432 54.840 -0.318 0.000 0.818 508 L CB 1.021 42.852 42.059 -0.380 0.000 1.326 508 L HN -0.142 nan 8.230 nan 0.000 0.435 509 M N 1.624 121.172 119.600 -0.086 0.000 2.240 509 M HA 0.348 4.828 4.480 -0.000 0.000 0.333 509 M C -0.302 176.065 176.300 0.111 0.000 1.110 509 M CA 0.362 55.704 55.300 0.070 0.000 1.173 509 M CB 0.712 33.440 32.600 0.213 0.000 1.458 509 M HN 0.519 nan 8.290 nan 0.000 0.458 510 R N -0.094 120.440 120.500 0.056 0.000 2.579 510 R HA 0.441 4.781 4.340 -0.000 0.000 0.260 510 R C -0.480 175.780 176.300 -0.067 0.000 1.103 510 R CA -0.405 55.612 56.100 -0.138 0.000 0.942 510 R CB 1.387 31.228 30.300 -0.765 0.000 1.251 510 R HN 0.919 nan 8.270 nan 0.000 0.450 511 G N 2.763 111.463 108.800 -0.167 0.000 2.391 511 G HA2 0.071 4.030 3.960 -0.000 0.000 0.234 511 G HA3 0.071 4.030 3.960 -0.000 0.000 0.234 511 G C -0.658 174.099 174.900 -0.239 0.000 1.284 511 G CA -0.111 44.896 45.100 -0.154 0.000 0.873 511 G HN 0.537 nan 8.290 nan 0.000 0.549 512 R N 1.990 122.334 120.500 -0.260 0.000 2.513 512 R HA 0.159 4.499 4.340 -0.000 0.000 0.301 512 R C -0.023 176.179 176.300 -0.163 0.000 0.968 512 R CA -0.819 54.969 56.100 -0.519 0.000 0.872 512 R CB 0.802 30.445 30.300 -1.095 0.000 1.177 512 R HN 0.673 nan 8.270 nan 0.000 0.444 513 N N 2.110 120.713 118.700 -0.161 0.000 2.326 513 N HA -0.100 4.640 4.740 -0.000 0.000 0.239 513 N C 0.697 176.237 175.510 0.049 0.000 1.301 513 N CA 0.030 53.067 53.050 -0.022 0.000 0.909 513 N CB 0.752 39.212 38.487 -0.046 0.000 1.156 513 N HN 0.714 nan 8.380 nan 0.000 0.462 514 E N 0.666 120.861 120.200 -0.008 0.000 2.085 514 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 514 E C 0.659 177.268 176.600 0.014 0.000 0.994 514 E CA 1.709 58.087 56.400 -0.038 0.000 0.801 514 E CB -0.033 29.628 29.700 -0.066 0.000 0.743 514 E HN 0.618 nan 8.360 nan 0.000 0.453 515 D N -1.276 119.124 120.400 0.000 0.000 2.351 515 D HA -0.065 4.575 4.640 -0.000 0.000 0.216 515 D C 1.364 177.660 176.300 -0.007 0.000 0.968 515 D CA 1.207 55.204 54.000 -0.004 0.000 0.899 515 D CB -0.071 40.720 40.800 -0.015 0.000 0.907 515 D HN 0.401 nan 8.370 nan 0.000 0.514 516 G N -0.801 107.992 108.800 -0.011 0.000 2.184 516 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.206 516 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.206 516 G C 0.421 175.179 174.900 -0.236 0.000 0.995 516 G CA 0.224 45.276 45.100 -0.080 0.000 0.651 516 G HN 0.777 nan 8.290 nan 0.000 0.511 517 T N -0.643 113.799 114.554 -0.186 0.000 2.913 517 T HA 0.674 5.023 4.350 -0.000 0.000 0.287 517 T C 0.183 174.695 174.700 -0.312 0.000 1.008 517 T CA -0.613 61.377 62.100 -0.182 0.000 1.067 517 T CB 1.615 70.436 68.868 -0.079 0.000 0.996 517 T HN 0.220 nan 8.240 nan 0.000 0.513 518 F N 2.143 121.970 119.950 -0.207 0.000 2.443 518 F HA 0.324 4.851 4.527 -0.000 0.000 0.353 518 F C 1.103 176.736 175.800 -0.279 0.000 1.101 518 F CA -0.621 57.210 58.000 -0.282 0.000 1.226 518 F CB 0.926 39.725 39.000 -0.336 0.000 1.140 518 F HN 0.662 nan 8.300 nan 0.000 0.557 519 Q N 1.365 121.039 119.800 -0.209 0.000 2.392 519 Q HA 0.459 4.798 4.340 -0.000 0.000 0.262 519 Q C -0.810 175.082 176.000 -0.180 0.000 1.003 519 Q CA -0.150 55.457 55.803 -0.326 0.000 0.888 519 Q CB 1.174 29.389 28.738 -0.873 0.000 1.260 519 Q HN 0.493 nan 8.270 nan 0.000 0.435 520 S N 1.609 117.237 115.700 -0.119 0.000 2.546 520 S HA 0.672 5.142 4.470 -0.000 0.000 0.274 520 S C -2.438 172.156 174.600 -0.009 0.000 1.121 520 S CA -1.165 57.018 58.200 -0.030 0.000 0.887 520 S CB 1.149 64.340 63.200 -0.016 0.000 1.094 520 S HN 0.840 nan 8.310 nan 0.000 0.474 521 P HA 0.450 nan 4.420 nan 0.000 0.276 521 P C -1.396 175.958 177.300 0.091 0.000 1.244 521 P CA -0.404 62.721 63.100 0.042 0.000 0.801 521 P CB 0.343 32.060 31.700 0.028 0.000 1.006 522 F N 0.858 120.766 119.950 -0.071 0.000 2.411 522 F HA 0.470 4.996 4.527 -0.000 0.000 0.352 522 F C -0.296 175.476 175.800 -0.048 0.000 1.123 522 F CA -0.742 57.211 58.000 -0.078 0.000 1.044 522 F CB 1.426 40.358 39.000 -0.114 0.000 1.135 522 F HN 0.255 nan 8.300 nan 0.000 0.461 523 S N 7.686 123.061 115.700 -0.541 0.000 2.478 523 S HA 0.492 4.962 4.470 -0.000 0.000 0.312 523 S C -1.855 172.205 174.600 -0.901 0.000 1.094 523 S CA -1.702 56.106 58.200 -0.654 0.000 1.081 523 S CB 1.438 64.501 63.200 -0.228 0.000 1.007 523 S HN 0.537 nan 8.310 nan 0.000 0.475 524 P HA 0.038 nan 4.420 nan 0.000 0.223 524 P C 0.835 177.941 177.300 -0.324 0.000 1.151 524 P CA 0.743 63.405 63.100 -0.730 0.000 0.787 524 P CB 0.074 31.320 31.700 -0.757 0.000 0.788 525 L N -1.330 119.814 121.223 -0.131 0.000 2.592 525 L HA 0.176 4.516 4.340 -0.000 0.000 0.227 525 L C 1.299 178.305 176.870 0.226 0.000 1.127 525 L CA -0.110 54.791 54.840 0.102 0.000 0.884 525 L CB -0.222 41.928 42.059 0.151 0.000 1.065 525 L HN -0.096 nan 8.230 nan 0.000 0.457 526 K N 0.568 121.053 120.400 0.141 0.000 2.276 526 K HA 0.090 4.410 4.320 -0.000 0.000 0.285 526 K C -1.000 175.828 176.600 0.380 0.000 1.062 526 K CA -0.609 55.849 56.287 0.284 0.000 0.918 526 K CB 0.602 33.214 32.500 0.187 0.000 1.055 526 K HN -0.125 nan 8.250 nan 0.000 0.477 527 W N 3.134 124.587 121.300 0.255 0.000 2.237 527 W HA 0.365 5.025 4.660 -0.000 0.000 0.335 527 W C 1.045 177.707 176.519 0.238 0.000 1.230 527 W CA 1.205 58.740 57.345 0.317 0.000 1.253 527 W CB 0.628 30.326 29.460 0.396 0.000 1.129 527 W HN 0.989 nan 8.180 nan 0.000 0.590 528 G N 1.551 110.553 108.800 0.336 0.000 2.539 528 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.256 528 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.256 528 G C 0.426 174.922 174.900 -0.674 0.000 1.233 528 G CA 0.565 45.450 45.100 -0.358 0.000 0.936 528 G HN 0.725 nan 8.290 nan 0.000 0.571 529 D N -2.536 116.857 120.400 -1.679 0.000 4.344 529 D HA -0.235 4.405 4.640 -0.000 0.000 0.144 529 D C 2.192 178.174 176.300 -0.529 0.000 0.730 529 D CA 3.904 57.396 54.000 -0.846 0.000 1.156 529 D CB -1.534 39.100 40.800 -0.276 0.000 0.570 529 D HN 1.825 nan 8.370 nan 0.000 0.533 530 A N -0.105 122.475 122.820 -0.399 0.000 1.969 530 A HA 0.164 4.484 4.320 -0.000 0.000 0.218 530 A C 1.208 178.316 177.584 -0.793 0.000 1.169 530 A CA 1.545 53.225 52.037 -0.594 0.000 0.635 530 A CB -0.322 18.233 19.000 -0.742 0.000 0.810 530 A HN 0.257 nan 8.150 nan 0.000 0.445 531 F N -1.585 118.238 119.950 -0.213 0.000 2.572 531 F HA 0.554 5.081 4.527 -0.000 0.000 0.342 531 F C 0.355 176.045 175.800 -0.184 0.000 1.064 531 F CA -0.756 57.082 58.000 -0.271 0.000 1.008 531 F CB 1.237 40.157 39.000 -0.134 0.000 1.303 531 F HN -0.318 nan 8.300 nan 0.000 0.492 532 T N 0.953 115.604 114.554 0.162 0.000 2.792 532 T HA 0.289 4.639 4.350 -0.000 0.000 0.280 532 T C -0.752 174.182 174.700 0.391 0.000 0.990 532 T CA -0.661 61.566 62.100 0.212 0.000 0.960 532 T CB 1.085 70.043 68.868 0.150 0.000 0.939 532 T HN 0.534 nan 8.240 nan 0.000 0.439 533 E N 1.143 121.522 120.200 0.297 0.000 2.297 533 E HA -0.189 4.161 4.350 -0.000 0.000 0.228 533 E C 0.388 177.061 176.600 0.121 0.000 1.213 533 E CA 1.275 57.842 56.400 0.279 0.000 0.712 533 E CB -1.482 28.383 29.700 0.276 0.000 1.202 533 E HN 1.229 nan 8.360 nan 0.000 0.376 534 G N -0.081 108.714 108.800 -0.008 0.000 2.339 534 G HA2 0.195 4.155 3.960 -0.000 0.000 0.275 534 G HA3 0.195 4.155 3.960 -0.000 0.000 0.275 534 G C -0.914 173.707 174.900 -0.465 0.000 1.323 534 G CA -0.122 44.511 45.100 -0.779 0.000 0.927 534 G HN 0.319 nan 8.290 nan 0.000 0.486 535 N N -1.731 116.637 118.700 -0.553 0.000 3.091 535 N HA 0.659 5.398 4.740 -0.000 0.000 0.329 535 N C 1.228 176.204 175.510 -0.890 0.000 1.430 535 N CA 0.455 53.174 53.050 -0.552 0.000 0.755 535 N CB 1.022 39.189 38.487 -0.533 0.000 1.626 535 N HN 0.723 nan 8.380 nan 0.000 0.614 536 S N -1.133 113.960 115.700 -1.012 0.000 2.365 536 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 536 S C 1.115 175.309 174.600 -0.677 0.000 1.039 536 S CA 1.360 58.902 58.200 -1.097 0.000 1.033 536 S CB -0.648 62.254 63.200 -0.496 0.000 0.887 536 S HN 0.552 nan 8.310 nan 0.000 0.447 537 W N 0.720 121.693 121.300 -0.545 0.000 2.387 537 W HA -0.115 4.545 4.660 -0.000 0.000 0.272 537 W C 2.181 178.559 176.519 -0.235 0.000 1.224 537 W CA 1.253 58.367 57.345 -0.385 0.000 1.210 537 W CB -0.178 29.041 29.460 -0.401 0.000 1.125 537 W HN 0.600 nan 8.180 nan 0.000 0.572 538 H N -3.952 115.086 119.070 -0.053 0.000 2.418 538 H HA -0.027 4.529 4.556 -0.000 0.000 0.300 538 H C 1.401 176.677 175.328 -0.088 0.000 1.041 538 H CA 1.115 57.112 56.048 -0.085 0.000 1.364 538 H CB -0.328 29.262 29.762 -0.287 0.000 1.439 538 H HN 0.055 nan 8.280 nan 0.000 0.540 539 Y N 0.729 120.929 120.300 -0.166 0.000 2.475 539 Y HA -0.090 4.460 4.550 -0.000 0.000 0.289 539 Y C 2.261 178.059 175.900 -0.171 0.000 1.121 539 Y CA 0.678 58.724 58.100 -0.089 0.000 1.257 539 Y CB 0.337 38.772 38.460 -0.041 0.000 1.026 539 Y HN 0.101 nan 8.280 nan 0.000 0.555 540 T N -0.714 113.645 114.554 -0.326 0.000 2.897 540 T HA -0.238 4.112 4.350 -0.000 0.000 0.271 540 T C 0.843 175.189 174.700 -0.590 0.000 1.084 540 T CA 1.645 63.434 62.100 -0.520 0.000 1.123 540 T CB -0.452 67.926 68.868 -0.816 0.000 0.865 540 T HN 0.499 nan 8.240 nan 0.000 0.496 541 W N 1.118 122.380 121.300 -0.064 0.000 3.256 541 W HA 0.258 4.918 4.660 -0.000 0.000 0.269 541 W C 1.199 177.626 176.519 -0.153 0.000 1.310 541 W CA -0.518 56.755 57.345 -0.119 0.000 1.673 541 W CB -0.241 29.073 29.460 -0.243 0.000 1.115 541 W HN -0.060 nan 8.180 nan 0.000 0.686 542 S N 1.385 117.056 115.700 -0.049 0.000 4.117 542 S HA 0.176 4.646 4.470 -0.000 0.000 0.191 542 S C 0.218 174.566 174.600 -0.421 0.000 1.308 542 S CA 0.147 58.139 58.200 -0.346 0.000 0.906 542 S CB -0.559 62.686 63.200 0.075 0.000 1.565 542 S HN -0.038 nan 8.310 nan 0.000 0.439 543 V N 2.601 122.160 119.914 -0.591 0.000 2.468 543 V HA 0.216 4.336 4.120 -0.000 0.000 0.256 543 V C 0.467 176.232 176.094 -0.547 0.000 0.998 543 V CA -0.505 61.460 62.300 -0.559 0.000 1.114 543 V CB -0.721 30.639 31.823 -0.772 0.000 1.378 543 V HN 0.594 nan 8.190 nan 0.000 0.573 544 F N 0.692 120.470 119.950 -0.286 0.000 2.120 544 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 544 F C 2.552 178.183 175.800 -0.281 0.000 1.095 544 F CA 2.162 59.948 58.000 -0.357 0.000 1.249 544 F CB -0.526 38.099 39.000 -0.625 0.000 0.995 544 F HN 0.632 nan 8.300 nan 0.000 0.480 545 H N -1.944 117.025 119.070 -0.169 0.000 2.547 545 H HA 0.127 4.683 4.556 -0.000 0.000 0.266 545 H C -0.209 175.002 175.328 -0.195 0.000 0.988 545 H CA 1.069 56.827 56.048 -0.485 0.000 1.147 545 H CB -0.199 28.923 29.762 -1.067 0.000 1.365 545 H HN 0.242 nan 8.280 nan 0.000 0.589 546 D N 0.028 120.086 120.400 -0.569 0.000 3.407 546 D HA 0.181 4.821 4.640 -0.000 0.000 0.291 546 D C -2.131 173.940 176.300 -0.381 0.000 1.309 546 D CA -1.568 52.195 54.000 -0.395 0.000 0.747 546 D CB 0.738 41.325 40.800 -0.354 0.000 1.343 546 D HN -0.015 nan 8.370 nan 0.000 0.631 547 P HA -0.179 nan 4.420 nan 0.000 0.216 547 P C 1.428 178.540 177.300 -0.314 0.000 1.153 547 P CA 1.169 64.028 63.100 -0.401 0.000 0.858 547 P CB 0.408 31.680 31.700 -0.712 0.000 0.789 548 Q N -0.139 119.559 119.800 -0.170 0.000 2.181 548 Q HA -0.105 4.234 4.340 -0.000 0.000 0.205 548 Q C 2.097 177.997 176.000 -0.167 0.000 0.980 548 Q CA 2.138 57.843 55.803 -0.163 0.000 0.862 548 Q CB -1.404 27.277 28.738 -0.096 0.000 0.905 548 Q HN 0.190 nan 8.270 nan 0.000 0.429 549 G N 0.373 109.093 108.800 -0.133 0.000 2.421 549 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.216 549 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.216 549 G C 1.273 176.119 174.900 -0.090 0.000 1.171 549 G CA 0.827 45.905 45.100 -0.037 0.000 0.775 549 G HN 0.413 nan 8.290 nan 0.000 0.543 550 L N 1.163 122.279 121.223 -0.178 0.000 2.046 550 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 550 L C 2.744 179.485 176.870 -0.215 0.000 1.077 550 L CA 1.228 55.945 54.840 -0.205 0.000 0.747 550 L CB -0.510 41.461 42.059 -0.147 0.000 0.896 550 L HN 0.274 nan 8.230 nan 0.000 0.432 551 I N -0.392 119.964 120.570 -0.357 0.000 2.151 551 I HA -0.346 3.823 4.170 -0.000 0.000 0.243 551 I C 2.104 178.133 176.117 -0.145 0.000 1.080 551 I CA 1.718 62.796 61.300 -0.369 0.000 1.339 551 I CB -0.793 36.917 38.000 -0.482 0.000 1.039 551 I HN 0.313 nan 8.210 nan 0.000 0.409 552 D N 0.993 121.306 120.400 -0.144 0.000 2.097 552 D HA -0.122 4.517 4.640 -0.000 0.000 0.195 552 D C 2.424 178.662 176.300 -0.104 0.000 0.989 552 D CA 1.043 54.988 54.000 -0.091 0.000 0.827 552 D CB -0.372 40.381 40.800 -0.079 0.000 0.966 552 D HN 0.284 nan 8.370 nan 0.000 0.456 553 L N 0.152 121.244 121.223 -0.218 0.000 2.013 553 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 553 L C 2.464 179.165 176.870 -0.282 0.000 1.073 553 L CA 1.113 55.700 54.840 -0.422 0.000 0.753 553 L CB -0.333 41.108 42.059 -1.031 0.000 0.890 553 L HN 0.072 nan 8.230 nan 0.000 0.432 554 M N -1.221 118.268 119.600 -0.184 0.000 2.619 554 M HA 0.023 4.503 4.480 -0.000 0.000 0.251 554 M C 1.144 177.536 176.300 0.153 0.000 1.106 554 M CA 0.927 56.309 55.300 0.137 0.000 1.086 554 M CB 0.148 32.884 32.600 0.226 0.000 1.465 554 M HN 0.498 nan 8.290 nan 0.000 0.506 555 G N 0.657 109.507 108.800 0.082 0.000 2.131 555 G HA2 0.012 3.971 3.960 -0.000 0.000 0.201 555 G HA3 0.012 3.971 3.960 -0.000 0.000 0.201 555 G C 0.291 175.236 174.900 0.075 0.000 1.000 555 G CA -0.177 44.971 45.100 0.079 0.000 0.680 555 G HN 0.897 nan 8.290 nan 0.000 0.514 556 G N -1.988 106.851 108.800 0.066 0.000 2.462 556 G HA2 0.492 4.452 3.960 -0.000 0.000 0.685 556 G HA3 0.492 4.452 3.960 -0.000 0.000 0.685 556 G C 0.717 175.683 174.900 0.111 0.000 1.295 556 G CA 0.991 46.126 45.100 0.059 0.000 0.941 556 G HN 1.639 nan 8.290 nan 0.000 0.554 557 K N -0.515 119.939 120.400 0.091 0.000 2.034 557 K HA -0.162 4.158 4.320 -0.000 0.000 0.214 557 K C 2.266 178.998 176.600 0.219 0.000 1.051 557 K CA 2.825 59.198 56.287 0.143 0.000 0.931 557 K CB -1.025 31.541 32.500 0.110 0.000 0.715 557 K HN 0.833 nan 8.250 nan 0.000 0.446 558 E N 0.168 120.471 120.200 0.172 0.000 2.051 558 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 558 E C 2.322 179.035 176.600 0.188 0.000 0.991 558 E CA 1.779 58.281 56.400 0.170 0.000 0.799 558 E CB -0.175 29.602 29.700 0.130 0.000 0.748 558 E HN 0.624 nan 8.360 nan 0.000 0.449 559 M N -0.466 119.247 119.600 0.188 0.000 2.117 559 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 559 M C 2.208 178.655 176.300 0.245 0.000 1.065 559 M CA 1.279 56.694 55.300 0.192 0.000 1.114 559 M CB -0.792 31.915 32.600 0.178 0.000 1.361 559 M HN 0.107 nan 8.290 nan 0.000 0.408 560 F N 1.816 121.847 119.950 0.135 0.000 2.065 560 F HA -0.214 4.312 4.527 -0.000 0.000 0.298 560 F C 2.299 178.206 175.800 0.178 0.000 1.112 560 F CA 1.695 59.793 58.000 0.163 0.000 1.212 560 F CB -0.156 38.915 39.000 0.118 0.000 0.975 560 F HN -0.189 nan 8.300 nan 0.000 0.476 561 V N -0.264 119.796 119.914 0.244 0.000 2.407 561 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 561 V C 2.260 178.433 176.094 0.131 0.000 1.055 561 V CA 2.299 64.702 62.300 0.172 0.000 1.049 561 V CB -1.020 30.962 31.823 0.265 0.000 0.662 561 V HN 0.458 nan 8.190 nan 0.000 0.455 562 T N -0.097 114.544 114.554 0.145 0.000 2.684 562 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 562 T C 1.973 176.753 174.700 0.134 0.000 1.036 562 T CA 1.667 63.850 62.100 0.137 0.000 1.148 562 T CB -0.267 68.686 68.868 0.141 0.000 0.863 562 T HN 0.216 nan 8.240 nan 0.000 0.436 563 M N 0.516 120.212 119.600 0.159 0.000 2.067 563 M HA 0.012 4.492 4.480 -0.000 0.000 0.260 563 M C 2.472 178.888 176.300 0.194 0.000 1.069 563 M CA 1.539 57.013 55.300 0.290 0.000 1.117 563 M CB -1.121 31.701 32.600 0.369 0.000 1.334 563 M HN 0.292 nan 8.290 nan 0.000 0.407 564 M N 0.208 119.759 119.600 -0.082 0.000 2.088 564 M HA -0.268 4.212 4.480 -0.000 0.000 0.256 564 M C 1.657 177.868 176.300 -0.148 0.000 1.071 564 M CA 1.873 56.895 55.300 -0.464 0.000 1.097 564 M CB -1.055 31.002 32.600 -0.905 0.000 1.315 564 M HN 0.203 nan 8.290 nan 0.000 0.406 565 D N 0.343 120.793 120.400 0.083 0.000 2.149 565 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 565 D C 2.075 178.421 176.300 0.076 0.000 0.990 565 D CA 1.840 55.961 54.000 0.202 0.000 0.839 565 D CB -0.279 40.639 40.800 0.197 0.000 0.948 565 D HN 0.438 nan 8.370 nan 0.000 0.460 566 S N -0.332 115.340 115.700 -0.045 0.000 2.453 566 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 566 S C 2.174 176.485 174.600 -0.482 0.000 1.005 566 S CA 0.385 58.474 58.200 -0.185 0.000 0.949 566 S CB -0.435 62.683 63.200 -0.136 0.000 0.774 566 S HN 0.075 nan 8.310 nan 0.000 0.510 567 V N 1.130 120.687 119.914 -0.596 0.000 2.282 567 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 567 V C 2.148 177.832 176.094 -0.683 0.000 1.057 567 V CA 2.113 63.935 62.300 -0.797 0.000 1.032 567 V CB -1.083 30.275 31.823 -0.776 0.000 0.645 567 V HN 0.542 nan 8.190 nan 0.000 0.447 568 F N 0.193 119.911 119.950 -0.386 0.000 2.456 568 F HA 0.165 4.691 4.527 -0.000 0.000 0.298 568 F C 2.246 177.941 175.800 -0.175 0.000 1.104 568 F CA 0.953 58.741 58.000 -0.353 0.000 1.435 568 F CB -0.588 38.016 39.000 -0.659 0.000 1.078 568 F HN 0.092 nan 8.300 nan 0.000 0.546 569 A N 0.052 122.867 122.820 -0.007 0.000 2.081 569 A HA 0.190 4.510 4.320 -0.000 0.000 0.214 569 A C 0.784 178.341 177.584 -0.044 0.000 1.158 569 A CA 0.433 52.480 52.037 0.016 0.000 0.724 569 A CB -0.828 18.190 19.000 0.030 0.000 0.826 569 A HN 0.052 nan 8.150 nan 0.000 0.463 570 V N -1.241 118.583 119.914 -0.150 0.000 2.461 570 V HA 0.462 4.582 4.120 -0.000 0.000 0.275 570 V C -2.847 173.200 176.094 -0.077 0.000 1.047 570 V CA -2.874 59.341 62.300 -0.141 0.000 0.955 570 V CB 0.532 32.187 31.823 -0.280 0.000 0.988 570 V HN 0.129 nan 8.190 nan 0.000 0.471 571 P HA 0.163 nan 4.420 nan 0.000 0.266 571 P C -2.332 175.000 177.300 0.054 0.000 1.193 571 P CA -1.328 61.787 63.100 0.026 0.000 0.770 571 P CB -0.272 31.448 31.700 0.034 0.000 0.836 572 P HA 0.079 nan 4.420 nan 0.000 0.232 572 P C -0.096 177.375 177.300 0.285 0.000 1.738 572 P CA 0.315 63.520 63.100 0.176 0.000 0.948 572 P CB -0.286 31.509 31.700 0.159 0.000 1.943 573 I N 1.858 122.556 120.570 0.213 0.000 2.764 573 I HA 0.372 4.541 4.170 -0.000 0.000 0.294 573 I C 0.811 177.109 176.117 0.301 0.000 1.045 573 I CA -0.320 61.074 61.300 0.156 0.000 1.340 573 I CB 0.046 38.059 38.000 0.021 0.000 1.436 573 I HN 0.088 nan 8.210 nan 0.000 0.567 574 F N 0.917 120.926 119.950 0.098 0.000 2.719 574 F HA 0.524 5.051 4.527 -0.000 0.000 0.309 574 F C -1.342 174.520 175.800 0.102 0.000 1.138 574 F CA -1.207 56.884 58.000 0.151 0.000 0.943 574 F CB 1.259 40.294 39.000 0.058 0.000 1.304 574 F HN 0.286 nan 8.300 nan 0.000 0.445 575 D N 1.438 122.038 120.400 0.333 0.000 2.408 575 D HA 0.247 4.887 4.640 -0.000 0.000 0.243 575 D C -0.639 175.905 176.300 0.406 0.000 1.075 575 D CA -0.360 53.780 54.000 0.233 0.000 0.832 575 D CB 1.631 42.536 40.800 0.174 0.000 1.162 575 D HN 0.728 nan 8.370 nan 0.000 0.515 576 D N 1.397 122.025 120.400 0.380 0.000 2.424 576 D HA -0.056 4.584 4.640 -0.000 0.000 0.220 576 D C 1.266 177.770 176.300 0.340 0.000 1.150 576 D CA -0.066 54.172 54.000 0.398 0.000 0.831 576 D CB -0.042 40.940 40.800 0.304 0.000 0.981 576 D HN 0.227 nan 8.370 nan 0.000 0.500 577 S N 0.099 115.951 115.700 0.253 0.000 2.374 577 S HA -0.331 4.139 4.470 -0.000 0.000 0.227 577 S C 1.962 176.657 174.600 0.157 0.000 1.037 577 S CA 0.812 59.116 58.200 0.173 0.000 1.024 577 S CB -1.238 62.044 63.200 0.137 0.000 0.861 577 S HN 0.410 nan 8.310 nan 0.000 0.456 578 Y N 1.222 121.551 120.300 0.048 0.000 2.483 578 Y HA -0.081 4.469 4.550 -0.000 0.000 0.291 578 Y C 1.439 177.178 175.900 -0.268 0.000 1.143 578 Y CA 1.213 59.229 58.100 -0.140 0.000 1.289 578 Y CB -0.237 38.077 38.460 -0.244 0.000 0.983 578 Y HN 0.350 nan 8.280 nan 0.000 0.556 579 Y N -1.617 118.726 120.300 0.071 0.000 2.558 579 Y HA 0.315 4.865 4.550 -0.000 0.000 0.273 579 Y C 2.075 177.966 175.900 -0.016 0.000 1.100 579 Y CA 0.380 58.475 58.100 -0.008 0.000 1.276 579 Y CB 0.192 38.693 38.460 0.068 0.000 1.196 579 Y HN -0.006 nan 8.280 nan 0.000 0.527 580 G N 0.797 109.695 108.800 0.164 0.000 2.143 580 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.249 580 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.249 580 G C -0.063 174.906 174.900 0.115 0.000 0.981 580 G CA 0.428 45.591 45.100 0.105 0.000 0.665 580 G HN 0.505 nan 8.290 nan 0.000 0.528 581 Q N -2.240 117.643 119.800 0.138 0.000 2.721 581 Q HA 0.528 4.868 4.340 -0.000 0.000 0.282 581 Q C -0.920 175.098 176.000 0.030 0.000 0.932 581 Q CA -1.002 54.858 55.803 0.095 0.000 0.816 581 Q CB 1.100 29.902 28.738 0.108 0.000 1.506 581 Q HN 0.496 nan 8.270 nan 0.000 0.399 582 V N 3.455 123.366 119.914 -0.005 0.000 2.302 582 V HA 0.141 4.261 4.120 -0.000 0.000 0.244 582 V C 0.781 176.728 176.094 -0.245 0.000 1.160 582 V CA -0.178 62.031 62.300 -0.152 0.000 1.127 582 V CB -1.404 30.359 31.823 -0.100 0.000 1.253 582 V HN 0.630 nan 8.190 nan 0.000 0.496 583 I N 1.177 121.514 120.570 -0.388 0.000 2.993 583 I HA 0.161 4.330 4.170 -0.000 0.000 0.286 583 I C 1.792 177.618 176.117 -0.485 0.000 1.215 583 I CA -0.165 60.866 61.300 -0.448 0.000 1.393 583 I CB 0.241 37.839 38.000 -0.670 0.000 1.371 583 I HN 0.735 nan 8.210 nan 0.000 0.602 584 H N 1.609 120.445 119.070 -0.391 0.000 2.422 584 H HA -0.131 4.425 4.556 -0.000 0.000 0.298 584 H C 1.504 176.669 175.328 -0.271 0.000 1.098 584 H CA 1.676 57.558 56.048 -0.278 0.000 1.315 584 H CB -0.401 29.260 29.762 -0.169 0.000 1.382 584 H HN 0.748 nan 8.280 nan 0.000 0.523 585 E N 0.757 120.451 120.200 -0.843 0.000 2.118 585 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 585 E C 2.077 178.379 176.600 -0.497 0.000 0.992 585 E CA 1.629 57.731 56.400 -0.496 0.000 0.804 585 E CB -0.111 29.391 29.700 -0.331 0.000 0.741 585 E HN 0.619 nan 8.360 nan 0.000 0.458 586 I N -0.082 119.930 120.570 -0.930 0.000 2.286 586 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 586 I C 2.413 178.116 176.117 -0.691 0.000 1.104 586 I CA 0.698 61.264 61.300 -1.222 0.000 1.397 586 I CB -0.058 36.932 38.000 -1.683 0.000 1.072 586 I HN -0.001 nan 8.210 nan 0.000 0.417 587 R N 1.538 121.738 120.500 -0.500 0.000 2.091 587 R HA -0.198 4.141 4.340 -0.000 0.000 0.238 587 R C 1.994 178.200 176.300 -0.157 0.000 1.136 587 R CA 1.716 57.651 56.100 -0.274 0.000 0.959 587 R CB -0.345 29.855 30.300 -0.167 0.000 0.856 587 R HN 0.332 nan 8.270 nan 0.000 0.437 588 E N -0.374 119.749 120.200 -0.128 0.000 2.118 588 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 588 E C 1.913 178.490 176.600 -0.039 0.000 0.992 588 E CA 1.709 58.080 56.400 -0.049 0.000 0.804 588 E CB -0.213 29.478 29.700 -0.015 0.000 0.741 588 E HN 0.396 nan 8.360 nan 0.000 0.458 589 M N 0.778 120.345 119.600 -0.055 0.000 2.132 589 M HA -0.163 4.317 4.480 -0.000 0.000 0.263 589 M C 2.344 178.657 176.300 0.021 0.000 1.065 589 M CA 2.017 57.325 55.300 0.015 0.000 1.122 589 M CB -0.284 32.400 32.600 0.140 0.000 1.365 589 M HN 0.210 nan 8.290 nan 0.000 0.411 590 T N -1.082 113.458 114.554 -0.024 0.000 2.708 590 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 590 T C 1.633 176.354 174.700 0.035 0.000 1.037 590 T CA 1.718 63.832 62.100 0.023 0.000 1.146 590 T CB -1.659 67.217 68.868 0.014 0.000 0.865 590 T HN 0.453 nan 8.240 nan 0.000 0.435 591 V N -1.014 118.909 119.914 0.015 0.000 2.913 591 V HA 0.066 4.186 4.120 -0.000 0.000 0.260 591 V C 2.314 178.431 176.094 0.039 0.000 1.098 591 V CA 1.065 63.380 62.300 0.025 0.000 1.121 591 V CB -1.117 30.715 31.823 0.015 0.000 0.714 591 V HN 0.255 nan 8.190 nan 0.000 0.487 592 M N 0.497 120.126 119.600 0.047 0.000 2.506 592 M HA 0.165 4.645 4.480 -0.000 0.000 0.260 592 M C 1.239 177.590 176.300 0.084 0.000 1.104 592 M CA 0.502 55.840 55.300 0.064 0.000 1.112 592 M CB -1.971 30.673 32.600 0.074 0.000 1.401 592 M HN 0.808 nan 8.290 nan 0.000 0.473 593 N N 0.892 119.642 118.700 0.084 0.000 2.738 593 N HA -0.180 4.560 4.740 -0.000 0.000 0.249 593 N C -0.565 175.025 175.510 0.133 0.000 1.047 593 N CA 0.097 53.205 53.050 0.096 0.000 0.707 593 N CB -0.459 38.079 38.487 0.086 0.000 0.937 593 N HN 0.347 nan 8.380 nan 0.000 0.545 594 M N 0.474 120.160 119.600 0.143 0.000 2.963 594 M HA 0.216 4.696 4.480 -0.000 0.000 0.350 594 M C 1.245 177.618 176.300 0.121 0.000 1.253 594 M CA 0.278 55.696 55.300 0.197 0.000 0.856 594 M CB 0.832 33.596 32.600 0.275 0.000 1.356 594 M HN 0.393 nan 8.290 nan 0.000 0.510 595 G N 1.947 110.792 108.800 0.075 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 0.494 175.384 174.900 -0.017 0.000 1.226 595 G CA 0.569 45.666 45.100 -0.005 0.000 0.997 595 G HN 0.609 nan 8.290 nan 0.000 0.551 596 N N -0.172 118.452 118.700 -0.127 0.000 2.336 596 N HA 0.054 4.793 4.740 -0.000 0.000 0.189 596 N C 0.170 175.669 175.510 -0.018 0.000 1.113 596 N CA 0.016 53.047 53.050 -0.032 0.000 0.858 596 N CB 0.330 38.719 38.487 -0.162 0.000 0.970 596 N HN 0.435 nan 8.380 nan 0.000 0.471 597 Y N 2.254 122.372 120.300 -0.304 0.000 2.674 597 Y HA 0.183 4.733 4.550 -0.000 0.000 0.354 597 Y C -0.119 175.692 175.900 -0.149 0.000 1.089 597 Y CA -0.694 57.190 58.100 -0.360 0.000 1.444 597 Y CB -0.017 38.056 38.460 -0.644 0.000 1.187 597 Y HN -0.063 nan 8.280 nan 0.000 0.523 598 A N 6.416 128.851 122.820 -0.642 0.000 2.412 598 A HA 0.164 4.484 4.320 -0.000 0.000 0.334 598 A C 0.901 178.105 177.584 -0.634 0.000 1.419 598 A CA -0.535 51.236 52.037 -0.444 0.000 0.930 598 A CB -0.312 18.499 19.000 -0.315 0.000 1.149 598 A HN 1.009 nan 8.150 nan 0.000 0.515 599 H N 2.849 121.590 119.070 -0.548 0.000 2.457 599 H HA -0.130 4.426 4.556 -0.000 0.000 0.294 599 H C 1.907 177.000 175.328 -0.392 0.000 1.064 599 H CA 1.859 57.598 56.048 -0.516 0.000 1.330 599 H CB 0.255 29.904 29.762 -0.189 0.000 1.395 599 H HN 0.749 nan 8.280 nan 0.000 0.541 600 G N 0.754 109.333 108.800 -0.368 0.000 2.462 600 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.220 600 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.220 600 G C 0.714 175.437 174.900 -0.295 0.000 1.121 600 G CA 0.028 44.953 45.100 -0.292 0.000 0.758 600 G HN 0.301 nan 8.290 nan 0.000 0.559 601 N N 0.802 119.282 118.700 -0.367 0.000 2.416 601 N HA 0.222 4.962 4.740 -0.000 0.000 0.271 601 N C 1.313 176.620 175.510 -0.337 0.000 1.245 601 N CA -0.034 52.825 53.050 -0.318 0.000 0.940 601 N CB 1.158 39.341 38.487 -0.507 0.000 1.175 601 N HN 0.126 nan 8.380 nan 0.000 0.483 602 Q N 3.076 122.724 119.800 -0.254 0.000 2.112 602 Q HA -0.125 4.215 4.340 -0.000 0.000 0.206 602 Q C -0.708 175.076 176.000 -0.360 0.000 0.987 602 Q CA 1.853 57.432 55.803 -0.372 0.000 0.858 602 Q CB -0.698 27.681 28.738 -0.598 0.000 0.905 602 Q HN 0.560 nan 8.270 nan 0.000 0.420 603 P HA -0.112 nan 4.420 nan 0.000 0.220 603 P C 0.758 177.960 177.300 -0.162 0.000 1.148 603 P CA 1.039 63.934 63.100 -0.343 0.000 0.803 603 P CB 0.089 31.373 31.700 -0.693 0.000 0.782 604 I N -1.091 119.328 120.570 -0.252 0.000 3.883 604 I HA -0.001 4.169 4.170 -0.000 0.000 0.326 604 I C 1.725 177.687 176.117 -0.257 0.000 1.283 604 I CA 0.337 61.472 61.300 -0.275 0.000 1.161 604 I CB -0.088 37.693 38.000 -0.366 0.000 1.012 604 I HN -0.116 nan 8.210 nan 0.000 0.421 605 Q N 0.036 119.742 119.800 -0.156 0.000 2.291 605 Q HA -0.213 4.126 4.340 -0.000 0.000 0.206 605 Q C 1.660 177.795 176.000 0.225 0.000 0.976 605 Q CA 1.326 57.083 55.803 -0.077 0.000 0.875 605 Q CB -0.069 28.579 28.738 -0.148 0.000 0.927 605 Q HN 0.717 nan 8.270 nan 0.000 0.450 606 H N -1.075 118.082 119.070 0.145 0.000 2.563 606 H HA 0.113 4.668 4.556 -0.000 0.000 0.264 606 H C 1.808 177.247 175.328 0.185 0.000 0.957 606 H CA 0.119 56.267 56.048 0.166 0.000 1.173 606 H CB -0.286 29.633 29.762 0.261 0.000 1.420 606 H HN 0.171 nan 8.280 nan 0.000 0.551 607 M N 1.430 120.710 119.600 -0.534 0.000 2.113 607 M HA -0.203 4.277 4.480 -0.000 0.000 0.255 607 M C 1.940 178.050 176.300 -0.317 0.000 1.073 607 M CA 1.788 56.739 55.300 -0.581 0.000 1.091 607 M CB -0.296 31.910 32.600 -0.655 0.000 1.309 607 M HN 0.273 nan 8.290 nan 0.000 0.407 608 I N -0.703 119.803 120.570 -0.106 0.000 2.264 608 I HA -0.334 3.836 4.170 -0.000 0.000 0.248 608 I C 1.933 178.052 176.117 0.003 0.000 1.111 608 I CA 1.435 62.698 61.300 -0.062 0.000 1.382 608 I CB -0.669 37.326 38.000 -0.008 0.000 1.060 608 I HN 0.290 nan 8.210 nan 0.000 0.418 609 Y N 0.607 120.976 120.300 0.115 0.000 2.465 609 Y HA -0.193 4.356 4.550 -0.000 0.000 0.289 609 Y C 2.280 178.339 175.900 0.266 0.000 1.150 609 Y CA 0.858 59.087 58.100 0.214 0.000 1.293 609 Y CB -0.491 38.116 38.460 0.245 0.000 0.977 609 Y HN 0.169 nan 8.280 nan 0.000 0.556 610 L N -1.864 119.481 121.223 0.203 0.000 2.275 610 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 610 L C 1.782 178.822 176.870 0.283 0.000 1.119 610 L CA 0.818 55.752 54.840 0.156 0.000 0.790 610 L CB -0.636 41.428 42.059 0.008 0.000 0.919 610 L HN 0.239 nan 8.230 nan 0.000 0.443 611 Y N 0.678 121.087 120.300 0.180 0.000 2.193 611 Y HA -0.328 4.222 4.550 -0.000 0.000 0.285 611 Y C 2.349 178.333 175.900 0.139 0.000 1.166 611 Y CA 1.507 59.674 58.100 0.113 0.000 1.181 611 Y CB -0.597 37.846 38.460 -0.029 0.000 0.976 611 Y HN 0.250 nan 8.280 nan 0.000 0.520 612 D N -1.214 119.412 120.400 0.377 0.000 2.133 612 D HA -0.221 4.419 4.640 -0.000 0.000 0.195 612 D C 1.825 178.268 176.300 0.238 0.000 0.997 612 D CA 1.608 55.774 54.000 0.277 0.000 0.840 612 D CB -0.595 40.389 40.800 0.306 0.000 0.947 612 D HN 0.374 nan 8.370 nan 0.000 0.452 613 Y N 0.079 120.450 120.300 0.119 0.000 2.509 613 Y HA 0.154 4.703 4.550 -0.000 0.000 0.293 613 Y C 1.989 177.883 175.900 -0.010 0.000 1.133 613 Y CA 0.511 58.633 58.100 0.035 0.000 1.283 613 Y CB -0.258 38.182 38.460 -0.032 0.000 1.001 613 Y HN -0.068 nan 8.280 nan 0.000 0.555 614 A N -0.787 122.158 122.820 0.208 0.000 2.423 614 A HA 0.523 4.843 4.320 -0.000 0.000 0.246 614 A C 1.826 179.479 177.584 0.115 0.000 1.278 614 A CA 0.451 52.578 52.037 0.150 0.000 0.903 614 A CB -0.825 18.363 19.000 0.313 0.000 0.997 614 A HN 0.479 nan 8.150 nan 0.000 0.510 615 G N -0.543 108.310 108.800 0.088 0.000 2.147 615 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.244 615 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.244 615 G C -0.004 174.842 174.900 -0.090 0.000 1.005 615 G CA 0.418 45.559 45.100 0.067 0.000 0.713 615 G HN 0.635 nan 8.290 nan 0.000 0.515 616 Q N -0.699 118.919 119.800 -0.304 0.000 2.719 616 Q HA 0.191 4.531 4.340 -0.000 0.000 0.376 616 Q C -1.778 173.730 176.000 -0.821 0.000 0.856 616 Q CA -1.381 53.726 55.803 -1.160 0.000 1.038 616 Q CB 1.832 29.928 28.738 -1.069 0.000 1.418 616 Q HN 0.354 nan 8.270 nan 0.000 0.395 617 P HA -0.181 nan 4.420 nan 0.000 0.222 617 P C 0.838 178.168 177.300 0.051 0.000 1.147 617 P CA 1.020 64.118 63.100 -0.004 0.000 0.790 617 P CB -0.133 31.662 31.700 0.158 0.000 0.780 618 W N 1.255 122.626 121.300 0.119 0.000 2.392 618 W HA 0.043 4.703 4.660 -0.000 0.000 0.279 618 W C 1.779 178.397 176.519 0.165 0.000 1.225 618 W CA 0.808 58.259 57.345 0.177 0.000 1.233 618 W CB -1.424 28.072 29.460 0.061 0.000 1.122 618 W HN -0.168 nan 8.180 nan 0.000 0.561 619 K N 0.666 120.797 120.400 -0.449 0.000 2.103 619 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 619 K C 2.469 178.913 176.600 -0.260 0.000 1.052 619 K CA 1.211 57.203 56.287 -0.492 0.000 0.945 619 K CB -0.441 31.339 32.500 -1.199 0.000 0.722 619 K HN 0.241 nan 8.250 nan 0.000 0.443 620 A N 1.579 124.327 122.820 -0.121 0.000 1.902 620 A HA -0.248 4.071 4.320 -0.000 0.000 0.217 620 A C 2.059 179.642 177.584 -0.001 0.000 1.181 620 A CA 1.463 53.538 52.037 0.063 0.000 0.623 620 A CB -0.491 18.553 19.000 0.074 0.000 0.818 620 A HN 0.297 nan 8.150 nan 0.000 0.443 621 Q N -2.030 117.803 119.800 0.055 0.000 2.084 621 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 621 Q C 2.008 177.947 176.000 -0.101 0.000 0.978 621 Q CA 1.961 57.791 55.803 0.046 0.000 0.844 621 Q CB -0.412 28.454 28.738 0.214 0.000 0.898 621 Q HN 0.856 nan 8.270 nan 0.000 0.426 622 Y N -0.648 119.539 120.300 -0.188 0.000 2.114 622 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 622 Y C 1.554 177.063 175.900 -0.651 0.000 1.143 622 Y CA 1.683 59.475 58.100 -0.514 0.000 1.135 622 Y CB -0.354 37.861 38.460 -0.408 0.000 0.980 622 Y HN 0.133 nan 8.280 nan 0.000 0.499 623 W N 0.271 121.421 121.300 -0.250 0.000 2.381 623 W HA -0.124 4.536 4.660 -0.000 0.000 0.301 623 W C 2.262 178.546 176.519 -0.392 0.000 1.205 623 W CA 1.012 58.116 57.345 -0.403 0.000 1.285 623 W CB -0.413 28.800 29.460 -0.411 0.000 1.133 623 W HN 0.066 nan 8.180 nan 0.000 0.521 624 L N 0.046 121.218 121.223 -0.085 0.000 2.042 624 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 624 L C 2.638 179.413 176.870 -0.159 0.000 1.076 624 L CA 1.210 56.007 54.840 -0.072 0.000 0.749 624 L CB -0.747 41.211 42.059 -0.167 0.000 0.893 624 L HN -0.083 nan 8.230 nan 0.000 0.432 625 R N -0.020 120.254 120.500 -0.375 0.000 2.073 625 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 625 R C 2.320 178.353 176.300 -0.444 0.000 1.134 625 R CA 1.449 57.266 56.100 -0.472 0.000 0.952 625 R CB -0.548 29.281 30.300 -0.785 0.000 0.850 625 R HN 0.261 nan 8.270 nan 0.000 0.433 626 Q N -0.018 119.424 119.800 -0.597 0.000 2.096 626 Q HA -0.161 4.179 4.340 -0.000 0.000 0.208 626 Q C 2.151 178.057 176.000 -0.158 0.000 0.993 626 Q CA 2.101 57.646 55.803 -0.430 0.000 0.862 626 Q CB -0.644 27.820 28.738 -0.456 0.000 0.915 626 Q HN 0.293 nan 8.270 nan 0.000 0.416 627 V N 0.783 120.648 119.914 -0.081 0.000 2.295 627 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 627 V C 2.411 178.579 176.094 0.122 0.000 1.049 627 V CA 1.812 64.108 62.300 -0.007 0.000 1.024 627 V CB -0.538 31.240 31.823 -0.075 0.000 0.648 627 V HN 0.330 nan 8.190 nan 0.000 0.447 628 M N -0.416 119.256 119.600 0.120 0.000 2.175 628 M HA -0.169 4.310 4.480 -0.000 0.000 0.264 628 M C 1.892 178.294 176.300 0.170 0.000 1.063 628 M CA 1.739 57.146 55.300 0.178 0.000 1.119 628 M CB -0.441 32.119 32.600 -0.068 0.000 1.377 628 M HN 0.309 nan 8.290 nan 0.000 0.415 629 D N -0.306 120.099 120.400 0.007 0.000 2.183 629 D HA -0.059 4.580 4.640 -0.000 0.000 0.203 629 D C 1.906 178.222 176.300 0.027 0.000 0.969 629 D CA 1.143 55.133 54.000 -0.018 0.000 0.842 629 D CB 0.067 40.792 40.800 -0.124 0.000 0.957 629 D HN 0.323 nan 8.370 nan 0.000 0.484 630 R N -1.023 119.500 120.500 0.038 0.000 2.250 630 R HA 0.251 4.591 4.340 -0.000 0.000 0.194 630 R C 1.542 177.877 176.300 0.058 0.000 0.927 630 R CA 0.055 56.174 56.100 0.032 0.000 1.052 630 R CB 0.330 30.635 30.300 0.008 0.000 1.055 630 R HN 0.022 nan 8.270 nan 0.000 0.537 631 M N -0.084 119.578 119.600 0.103 0.000 2.495 631 M HA 0.177 4.657 4.480 -0.000 0.000 0.237 631 M C -0.629 175.616 176.300 -0.092 0.000 1.131 631 M CA 0.624 55.933 55.300 0.016 0.000 1.032 631 M CB 0.182 32.755 32.600 -0.044 0.000 1.513 631 M HN -0.064 nan 8.290 nan 0.000 0.488 632 Y N -0.119 120.189 120.300 0.014 0.000 2.406 632 Y HA 0.471 5.021 4.550 -0.000 0.000 0.340 632 Y C 0.503 176.333 175.900 -0.118 0.000 0.975 632 Y CA -1.333 56.719 58.100 -0.080 0.000 1.056 632 Y CB 1.493 39.877 38.460 -0.127 0.000 1.210 632 Y HN 0.002 nan 8.280 nan 0.000 0.448 633 T N -0.690 113.835 114.554 -0.047 0.000 2.901 633 T HA 0.462 4.812 4.350 -0.000 0.000 0.293 633 T C -2.615 172.013 174.700 -0.119 0.000 1.084 633 T CA -2.369 59.693 62.100 -0.062 0.000 1.008 633 T CB 2.603 71.440 68.868 -0.051 0.000 1.170 633 T HN 0.282 nan 8.240 nan 0.000 0.509 634 P HA 0.219 nan 4.420 nan 0.000 0.251 634 P C 0.958 178.211 177.300 -0.079 0.000 1.223 634 P CA 0.077 63.131 63.100 -0.076 0.000 0.796 634 P CB -0.210 31.484 31.700 -0.011 0.000 1.068 635 G N 1.770 110.515 108.800 -0.092 0.000 2.553 635 G HA2 0.162 4.122 3.960 -0.000 0.000 0.278 635 G HA3 0.162 4.122 3.960 -0.000 0.000 0.278 635 G C -1.576 173.232 174.900 -0.154 0.000 1.349 635 G CA -1.007 44.022 45.100 -0.118 0.000 1.037 635 G HN -0.072 nan 8.290 nan 0.000 0.508 636 P HA -0.007 nan 4.420 nan 0.000 0.218 636 P C 0.369 177.587 177.300 -0.136 0.000 1.149 636 P CA 1.224 64.146 63.100 -0.297 0.000 0.817 636 P CB 0.146 31.309 31.700 -0.896 0.000 0.785 637 D N -1.274 119.046 120.400 -0.133 0.000 3.139 637 D HA 0.152 4.792 4.640 -0.000 0.000 0.268 637 D C 1.285 177.553 176.300 -0.055 0.000 1.322 637 D CA -0.583 53.390 54.000 -0.046 0.000 0.940 637 D CB -0.665 40.110 40.800 -0.041 0.000 1.050 637 D HN 0.028 nan 8.370 nan 0.000 0.503 638 G N -0.298 108.447 108.800 -0.092 0.000 2.539 638 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.215 638 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.215 638 G C 0.169 174.889 174.900 -0.299 0.000 1.141 638 G CA 0.122 45.087 45.100 -0.226 0.000 0.806 638 G HN 0.280 nan 8.290 nan 0.000 0.533 639 Y N -0.919 119.348 120.300 -0.056 0.000 2.392 639 Y HA 0.325 4.875 4.550 -0.000 0.000 0.323 639 Y C 1.676 177.495 175.900 -0.135 0.000 1.291 639 Y CA -0.901 57.112 58.100 -0.146 0.000 1.345 639 Y CB 1.073 39.482 38.460 -0.085 0.000 1.320 639 Y HN 0.073 nan 8.280 nan 0.000 0.518 640 C N -1.635 117.657 119.300 -0.013 0.000 2.754 640 C HA 0.803 5.262 4.460 -0.000 0.000 0.276 640 C C 0.719 175.722 174.990 0.022 0.000 1.264 640 C CA 0.072 59.081 59.018 -0.015 0.000 1.700 640 C CB -1.429 26.281 27.740 -0.051 0.000 1.885 640 C HN 0.987 nan 8.230 nan 0.000 0.607 641 G N -0.345 108.489 108.800 0.056 0.000 2.325 641 G HA2 0.369 4.329 3.960 -0.000 0.000 0.295 641 G HA3 0.369 4.329 3.960 -0.000 0.000 0.295 641 G C -2.212 172.729 174.900 0.069 0.000 1.274 641 G CA -0.611 44.538 45.100 0.082 0.000 0.857 641 G HN 0.058 nan 8.290 nan 0.000 0.499 642 D N 0.469 120.941 120.400 0.119 0.000 2.488 642 D HA 0.172 4.812 4.640 -0.000 0.000 0.238 642 D C 1.311 177.569 176.300 -0.071 0.000 1.138 642 D CA -0.048 54.007 54.000 0.091 0.000 0.873 642 D CB 1.524 42.471 40.800 0.244 0.000 1.183 642 D HN 0.424 nan 8.370 nan 0.000 0.458 643 E N 1.577 121.638 120.200 -0.232 0.000 2.107 643 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 643 E C -0.406 176.104 176.600 -0.151 0.000 0.982 643 E CA 0.590 56.725 56.400 -0.442 0.000 0.809 643 E CB 0.138 29.414 29.700 -0.707 0.000 0.756 643 E HN 0.421 nan 8.360 nan 0.000 0.459 644 D N 0.502 120.873 120.400 -0.047 0.000 2.760 644 D HA -0.214 4.426 4.640 -0.000 0.000 0.244 644 D C -0.655 175.652 176.300 0.013 0.000 1.123 644 D CA 1.003 55.038 54.000 0.058 0.000 0.719 644 D CB -2.050 38.828 40.800 0.131 0.000 1.045 644 D HN 0.440 nan 8.370 nan 0.000 0.426 645 N N -1.143 117.502 118.700 -0.091 0.000 2.725 645 N HA -0.232 4.507 4.740 -0.000 0.000 0.249 645 N C 1.111 176.670 175.510 0.082 0.000 1.103 645 N CA 1.448 54.405 53.050 -0.156 0.000 0.707 645 N CB -0.957 37.357 38.487 -0.288 0.000 1.043 645 N HN 0.768 nan 8.380 nan 0.000 0.553 646 G N -1.219 107.634 108.800 0.087 0.000 2.278 646 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.210 646 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.210 646 G C 0.643 175.640 174.900 0.163 0.000 1.000 646 G CA 0.698 45.880 45.100 0.136 0.000 0.635 646 G HN 0.426 nan 8.290 nan 0.000 0.495 647 Q N 1.213 121.096 119.800 0.137 0.000 2.020 647 Q HA 0.022 4.362 4.340 -0.000 0.000 0.202 647 Q C 2.423 178.583 176.000 0.267 0.000 0.982 647 Q CA 3.140 59.046 55.803 0.171 0.000 0.838 647 Q CB -0.944 27.846 28.738 0.086 0.000 0.899 647 Q HN 0.460 nan 8.270 nan 0.000 0.423 648 T N -0.032 114.639 114.554 0.195 0.000 2.915 648 T HA -0.038 4.312 4.350 -0.000 0.000 0.269 648 T C 1.859 176.910 174.700 0.586 0.000 1.071 648 T CA 1.186 63.458 62.100 0.288 0.000 1.132 648 T CB -0.209 68.696 68.868 0.061 0.000 0.878 648 T HN 0.245 nan 8.240 nan 0.000 0.479 649 S N 1.256 117.224 115.700 0.447 0.000 2.362 649 S HA 0.122 4.591 4.470 -0.000 0.000 0.221 649 S C 2.591 177.449 174.600 0.431 0.000 1.032 649 S CA 0.731 59.231 58.200 0.500 0.000 0.973 649 S CB -0.430 62.972 63.200 0.337 0.000 0.849 649 S HN 0.557 nan 8.310 nan 0.000 0.465 650 A N 0.247 123.282 122.820 0.358 0.000 2.019 650 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 650 A C 1.759 179.633 177.584 0.484 0.000 1.164 650 A CA 1.239 53.472 52.037 0.326 0.000 0.644 650 A CB -0.958 18.224 19.000 0.302 0.000 0.805 650 A HN 0.730 nan 8.150 nan 0.000 0.449 651 W N -0.890 120.676 121.300 0.444 0.000 2.358 651 W HA -0.247 4.412 4.660 -0.000 0.000 0.303 651 W C 2.002 178.797 176.519 0.460 0.000 1.208 651 W CA 2.025 59.713 57.345 0.572 0.000 1.274 651 W CB -0.358 29.445 29.460 0.573 0.000 1.138 651 W HN 0.463 nan 8.180 nan 0.000 0.515 652 Y N 0.061 120.688 120.300 0.545 0.000 2.263 652 Y HA -0.186 4.364 4.550 -0.000 0.000 0.292 652 Y C 2.232 178.158 175.900 0.043 0.000 1.130 652 Y CA 2.312 60.490 58.100 0.129 0.000 1.179 652 Y CB -0.728 37.578 38.460 -0.257 0.000 0.998 652 Y HN -0.180 nan 8.280 nan 0.000 0.532 653 V N -0.305 119.711 119.914 0.170 0.000 2.261 653 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 653 V C 2.112 178.193 176.094 -0.022 0.000 1.047 653 V CA 2.129 64.392 62.300 -0.062 0.000 1.015 653 V CB -0.972 30.683 31.823 -0.280 0.000 0.642 653 V HN 0.318 nan 8.190 nan 0.000 0.446 654 F N 1.009 120.915 119.950 -0.073 0.000 2.075 654 F HA -0.173 4.353 4.527 -0.000 0.000 0.297 654 F C 2.763 178.366 175.800 -0.327 0.000 1.113 654 F CA 2.045 59.927 58.000 -0.196 0.000 1.218 654 F CB -0.759 38.171 39.000 -0.116 0.000 0.984 654 F HN 0.030 nan 8.300 nan 0.000 0.472 655 S N -0.270 115.320 115.700 -0.184 0.000 2.399 655 S HA -0.167 4.303 4.470 -0.000 0.000 0.231 655 S C 2.277 176.679 174.600 -0.329 0.000 1.022 655 S CA 0.902 58.885 58.200 -0.362 0.000 0.983 655 S CB -0.684 61.958 63.200 -0.929 0.000 0.803 655 S HN 0.385 nan 8.310 nan 0.000 0.480 656 A N 1.457 124.063 122.820 -0.356 0.000 1.930 656 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 656 A C 2.044 179.523 177.584 -0.177 0.000 1.175 656 A CA 1.030 52.889 52.037 -0.297 0.000 0.627 656 A CB -0.637 18.271 19.000 -0.153 0.000 0.815 656 A HN 0.467 nan 8.150 nan 0.000 0.443 657 L N -1.752 119.341 121.223 -0.218 0.000 2.141 657 L HA 0.047 4.386 4.340 -0.000 0.000 0.209 657 L C 1.811 178.433 176.870 -0.413 0.000 1.094 657 L CA 0.956 55.585 54.840 -0.353 0.000 0.763 657 L CB -0.339 41.375 42.059 -0.575 0.000 0.908 657 L HN 0.627 nan 8.230 nan 0.000 0.437 658 G N -0.536 108.024 108.800 -0.400 0.000 2.164 658 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.154 658 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.154 658 G C -0.093 174.874 174.900 0.112 0.000 1.014 658 G CA -0.146 44.886 45.100 -0.114 0.000 0.683 658 G HN 0.269 nan 8.290 nan 0.000 0.500 659 F N -2.078 118.012 119.950 0.233 0.000 2.713 659 F HA 0.848 5.375 4.527 -0.000 0.000 0.311 659 F C -1.118 174.786 175.800 0.172 0.000 1.141 659 F CA -2.794 55.363 58.000 0.262 0.000 0.939 659 F CB 1.093 40.232 39.000 0.230 0.000 1.325 659 F HN 0.237 nan 8.300 nan 0.000 0.453 660 Y N 1.502 121.802 120.300 0.001 0.000 2.482 660 Y HA 0.553 5.103 4.550 -0.000 0.000 0.334 660 Y C -2.904 172.753 175.900 -0.404 0.000 1.091 660 Y CA -2.383 55.380 58.100 -0.561 0.000 1.027 660 Y CB 3.164 40.843 38.460 -1.301 0.000 1.306 660 Y HN 0.457 nan 8.280 nan 0.000 0.446 661 P HA 0.069 nan 4.420 nan 0.000 0.244 661 P C 0.602 177.711 177.300 -0.319 0.000 1.769 661 P CA 0.326 63.097 63.100 -0.548 0.000 1.102 661 P CB 0.558 31.888 31.700 -0.617 0.000 1.937 662 V N 1.256 121.186 119.914 0.026 0.000 2.282 662 V HA -0.222 3.898 4.120 -0.000 0.000 0.249 662 V C 1.505 177.664 176.094 0.107 0.000 1.057 662 V CA 1.880 64.318 62.300 0.231 0.000 1.032 662 V CB -0.459 31.557 31.823 0.322 0.000 0.645 662 V HN 0.535 nan 8.190 nan 0.000 0.447 663 C N 2.181 121.497 119.300 0.028 0.000 2.621 663 C HA 0.510 4.970 4.460 -0.000 0.000 0.272 663 C C -2.599 172.387 174.990 -0.006 0.000 1.119 663 C CA -2.298 56.717 59.018 -0.005 0.000 1.593 663 C CB -0.467 27.273 27.740 0.000 0.000 1.749 663 C HN 0.299 nan 8.230 nan 0.000 0.420 664 P HA 0.309 nan 4.420 nan 0.000 0.265 664 P C 0.897 178.310 177.300 0.188 0.000 1.193 664 P CA 1.885 65.012 63.100 0.046 0.000 0.765 664 P CB 0.569 32.332 31.700 0.105 0.000 0.823 665 G N 1.201 110.053 108.800 0.086 0.000 2.307 665 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.210 665 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.210 665 G C 0.407 175.378 174.900 0.119 0.000 1.005 665 G CA 0.230 45.415 45.100 0.142 0.000 0.634 665 G HN 0.775 nan 8.290 nan 0.000 0.496 666 T N -0.407 114.204 114.554 0.096 0.000 2.810 666 T HA 0.500 4.850 4.350 -0.000 0.000 0.277 666 T C 0.816 175.426 174.700 -0.149 0.000 0.973 666 T CA 0.649 62.716 62.100 -0.054 0.000 0.949 666 T CB 1.483 70.277 68.868 -0.123 0.000 1.075 666 T HN 0.353 nan 8.240 nan 0.000 0.537 667 D N -1.353 118.969 120.400 -0.131 0.000 2.358 667 D HA 0.097 4.737 4.640 -0.000 0.000 0.224 667 D C -0.006 176.189 176.300 -0.175 0.000 1.123 667 D CA -0.286 53.632 54.000 -0.137 0.000 0.833 667 D CB -0.142 40.644 40.800 -0.023 0.000 0.946 667 D HN 0.691 nan 8.370 nan 0.000 0.505 668 E N -0.147 119.884 120.200 -0.281 0.000 2.195 668 E HA 0.377 4.726 4.350 -0.000 0.000 0.271 668 E C -1.091 175.215 176.600 -0.490 0.000 0.923 668 E CA -0.856 55.426 56.400 -0.197 0.000 0.790 668 E CB 1.567 31.221 29.700 -0.078 0.000 1.155 668 E HN 0.128 nan 8.360 nan 0.000 0.402 669 Y N 0.359 120.719 120.300 0.101 0.000 2.326 669 Y HA 0.246 4.796 4.550 -0.000 0.000 0.331 669 Y C -0.121 175.890 175.900 0.186 0.000 0.962 669 Y CA -1.027 57.116 58.100 0.072 0.000 1.167 669 Y CB 1.296 39.756 38.460 -0.001 0.000 1.148 669 Y HN 0.206 nan 8.280 nan 0.000 0.463 670 V N 4.616 124.707 119.914 0.296 0.000 2.614 670 V HA 0.062 4.181 4.120 -0.000 0.000 0.291 670 V C 0.354 176.729 176.094 0.469 0.000 1.049 670 V CA -0.490 62.024 62.300 0.356 0.000 1.038 670 V CB 0.827 32.872 31.823 0.369 0.000 0.980 670 V HN 0.723 nan 8.190 nan 0.000 0.481 671 M N 4.656 124.536 119.600 0.467 0.000 2.200 671 M HA 0.494 4.974 4.480 -0.000 0.000 0.355 671 M C 0.611 177.213 176.300 0.503 0.000 1.283 671 M CA 0.625 56.204 55.300 0.465 0.000 1.124 671 M CB 0.685 33.495 32.600 0.350 0.000 1.625 671 M HN 0.791 nan 8.290 nan 0.000 0.463 672 G N 1.562 110.651 108.800 0.481 0.000 3.345 672 G HA2 0.499 4.459 3.960 -0.000 0.000 0.202 672 G HA3 0.499 4.459 3.960 -0.000 0.000 0.202 672 G C -0.916 174.069 174.900 0.141 0.000 1.740 672 G CA -0.060 45.197 45.100 0.262 0.000 0.806 672 G HN 0.632 nan 8.290 nan 0.000 0.718 673 T N 1.721 116.306 114.554 0.052 0.000 3.172 673 T HA 0.571 4.921 4.350 -0.000 0.000 0.320 673 T C -3.019 171.654 174.700 -0.045 0.000 1.085 673 T CA -1.004 61.112 62.100 0.027 0.000 1.052 673 T CB 2.102 70.979 68.868 0.015 0.000 1.107 673 T HN 0.238 nan 8.240 nan 0.000 0.458 674 P HA 0.242 nan 4.420 nan 0.000 0.274 674 P C 0.420 177.630 177.300 -0.151 0.000 1.237 674 P CA -0.558 62.490 63.100 -0.087 0.000 0.793 674 P CB 1.090 32.769 31.700 -0.034 0.000 0.977 675 L N 0.968 122.044 121.223 -0.245 0.000 2.298 675 L HA 0.319 4.659 4.340 -0.000 0.000 0.209 675 L C 0.459 176.996 176.870 -0.555 0.000 1.084 675 L CA 1.020 55.579 54.840 -0.469 0.000 0.816 675 L CB -0.336 41.286 42.059 -0.728 0.000 0.967 675 L HN 0.159 nan 8.230 nan 0.000 0.460 676 F N -0.589 119.261 119.950 -0.166 0.000 2.440 676 F HA 0.347 4.874 4.527 -0.000 0.000 0.328 676 F C 1.587 177.336 175.800 -0.085 0.000 1.070 676 F CA -0.624 57.299 58.000 -0.128 0.000 1.011 676 F CB 0.798 39.705 39.000 -0.155 0.000 1.226 676 F HN -0.334 nan 8.300 nan 0.000 0.491 677 K N 0.171 120.661 120.400 0.151 0.000 2.211 677 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 677 K C 0.245 176.884 176.600 0.064 0.000 1.050 677 K CA 1.237 57.571 56.287 0.078 0.000 0.945 677 K CB 0.185 32.727 32.500 0.069 0.000 0.732 677 K HN 0.368 nan 8.250 nan 0.000 0.451 678 K N -0.506 119.940 120.400 0.076 0.000 2.557 678 K HA 0.444 4.764 4.320 -0.000 0.000 0.261 678 K C -2.120 174.441 176.600 -0.065 0.000 0.932 678 K CA -0.468 55.823 56.287 0.007 0.000 0.829 678 K CB 2.155 34.656 32.500 0.001 0.000 1.358 678 K HN -0.022 nan 8.250 nan 0.000 0.430 679 A N 1.779 124.537 122.820 -0.103 0.000 2.435 679 A HA 0.739 5.059 4.320 -0.000 0.000 0.304 679 A C -1.242 176.234 177.584 -0.179 0.000 1.064 679 A CA -0.563 51.358 52.037 -0.194 0.000 0.727 679 A CB 1.955 20.830 19.000 -0.210 0.000 1.284 679 A HN 0.505 nan 8.150 nan 0.000 0.415 680 T N 2.466 116.879 114.554 -0.235 0.000 2.881 680 T HA 0.523 4.873 4.350 -0.000 0.000 0.291 680 T C -0.678 173.726 174.700 -0.494 0.000 0.990 680 T CA -0.213 61.693 62.100 -0.323 0.000 0.976 680 T CB 0.700 69.384 68.868 -0.306 0.000 0.970 680 T HN 0.478 nan 8.240 nan 0.000 0.438 681 L N 3.939 124.830 121.223 -0.554 0.000 2.295 681 L HA 0.454 4.794 4.340 -0.000 0.000 0.285 681 L C -0.055 176.235 176.870 -0.967 0.000 1.035 681 L CA -0.898 53.509 54.840 -0.722 0.000 0.806 681 L CB 0.802 42.411 42.059 -0.750 0.000 1.214 681 L HN 0.594 nan 8.230 nan 0.000 0.426 682 H N 4.179 122.902 119.070 -0.579 0.000 2.691 682 H HA 0.294 4.849 4.556 -0.000 0.000 0.281 682 H C -0.561 174.493 175.328 -0.456 0.000 1.121 682 H CA -0.526 55.264 56.048 -0.428 0.000 1.254 682 H CB 0.605 30.223 29.762 -0.241 0.000 1.390 682 H HN 0.267 nan 8.280 nan 0.000 0.491 683 F N 0.970 120.865 119.950 -0.092 0.000 2.410 683 F HA 0.066 4.593 4.527 -0.000 0.000 0.334 683 F C 2.026 177.695 175.800 -0.217 0.000 1.134 683 F CA -0.346 57.513 58.000 -0.235 0.000 1.227 683 F CB 0.886 39.607 39.000 -0.464 0.000 1.194 683 F HN 0.456 nan 8.300 nan 0.000 0.571 684 E N 0.754 120.937 120.200 -0.028 0.000 2.209 684 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 684 E C 1.469 178.020 176.600 -0.081 0.000 0.993 684 E CA 1.415 57.787 56.400 -0.047 0.000 0.819 684 E CB -0.361 29.324 29.700 -0.025 0.000 0.745 684 E HN 0.709 nan 8.360 nan 0.000 0.477 685 N N -0.559 118.032 118.700 -0.181 0.000 2.571 685 N HA -0.061 4.679 4.740 -0.000 0.000 0.189 685 N C 1.277 176.741 175.510 -0.076 0.000 1.154 685 N CA 0.531 53.481 53.050 -0.167 0.000 0.907 685 N CB 0.378 38.679 38.487 -0.310 0.000 0.977 685 N HN 0.149 nan 8.380 nan 0.000 0.449 686 G N -0.033 108.747 108.800 -0.032 0.000 2.213 686 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.236 686 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.236 686 G C -0.230 174.691 174.900 0.036 0.000 0.991 686 G CA -0.179 44.922 45.100 0.002 0.000 0.629 686 G HN 0.409 nan 8.290 nan 0.000 0.517 687 N N 0.633 119.365 118.700 0.053 0.000 2.463 687 N HA 0.724 5.464 4.740 -0.000 0.000 0.270 687 N C -0.095 175.514 175.510 0.164 0.000 1.205 687 N CA 0.305 53.420 53.050 0.108 0.000 0.974 687 N CB 1.432 39.986 38.487 0.112 0.000 1.197 687 N HN 0.259 nan 8.380 nan 0.000 0.504 688 S N -0.054 115.722 115.700 0.127 0.000 2.599 688 S HA 0.673 5.143 4.470 -0.000 0.000 0.287 688 S C -1.351 173.266 174.600 0.029 0.000 1.105 688 S CA -0.579 57.615 58.200 -0.011 0.000 0.899 688 S CB 1.905 65.091 63.200 -0.024 0.000 1.100 688 S HN 0.407 nan 8.310 nan 0.000 0.482 689 L N 1.975 123.135 121.223 -0.105 0.000 2.436 689 L HA 0.756 5.096 4.340 -0.000 0.000 0.268 689 L C -1.610 175.192 176.870 -0.113 0.000 0.974 689 L CA -0.437 54.399 54.840 -0.006 0.000 0.826 689 L CB 1.737 43.892 42.059 0.160 0.000 1.291 689 L HN 0.475 nan 8.230 nan 0.000 0.406 690 V N 6.135 126.005 119.914 -0.073 0.000 2.459 690 V HA 0.513 4.633 4.120 -0.000 0.000 0.295 690 V C -0.114 175.933 176.094 -0.079 0.000 1.029 690 V CA -0.372 61.876 62.300 -0.087 0.000 0.874 690 V CB 1.753 33.543 31.823 -0.055 0.000 0.985 690 V HN 0.607 nan 8.190 nan 0.000 0.438 691 I N 3.952 124.479 120.570 -0.073 0.000 2.330 691 I HA 0.362 4.532 4.170 -0.000 0.000 0.286 691 I C -0.450 175.645 176.117 -0.037 0.000 1.025 691 I CA -0.132 61.135 61.300 -0.055 0.000 1.197 691 I CB 1.199 39.186 38.000 -0.022 0.000 1.358 691 I HN 0.484 nan 8.210 nan 0.000 0.467 692 D N 6.591 126.972 120.400 -0.032 0.000 2.427 692 D HA 0.492 5.132 4.640 -0.000 0.000 0.226 692 D C -0.356 175.942 176.300 -0.003 0.000 1.076 692 D CA -0.162 53.830 54.000 -0.014 0.000 0.849 692 D CB 1.813 42.606 40.800 -0.012 0.000 1.052 692 D HN 0.612 nan 8.370 nan 0.000 0.515 693 A N 5.388 128.212 122.820 0.006 0.000 3.253 693 A HA 0.336 4.656 4.320 -0.000 0.000 0.290 693 A C -1.687 175.904 177.584 0.011 0.000 0.950 693 A CA -0.800 51.243 52.037 0.009 0.000 0.986 693 A CB 0.737 19.742 19.000 0.009 0.000 1.104 693 A HN 0.335 nan 8.150 nan 0.000 0.481 694 P HA -0.159 nan 4.420 nan 0.000 0.223 694 P C 0.650 177.954 177.300 0.008 0.000 1.144 694 P CA 1.208 64.316 63.100 0.013 0.000 0.783 694 P CB 0.231 31.938 31.700 0.011 0.000 0.771 695 N N -0.681 118.020 118.700 0.002 0.000 2.280 695 N HA -0.004 4.736 4.740 -0.000 0.000 0.192 695 N C 0.450 175.952 175.510 -0.013 0.000 1.109 695 N CA -0.236 52.810 53.050 -0.006 0.000 0.855 695 N CB -0.738 37.744 38.487 -0.008 0.000 0.974 695 N HN -0.088 nan 8.380 nan 0.000 0.482 696 N N 0.470 119.164 118.700 -0.011 0.000 2.395 696 N HA 0.000 4.740 4.740 -0.000 0.000 0.246 696 N C -0.464 175.027 175.510 -0.032 0.000 1.246 696 N CA 0.538 53.574 53.050 -0.024 0.000 0.879 696 N CB 0.539 39.011 38.487 -0.027 0.000 1.098 696 N HN 0.359 nan 8.380 nan 0.000 0.444 697 S N -0.055 115.621 115.700 -0.042 0.000 2.683 697 S HA 0.254 4.724 4.470 -0.000 0.000 0.269 697 S C 0.777 175.355 174.600 -0.036 0.000 1.165 697 S CA -0.412 57.762 58.200 -0.043 0.000 0.840 697 S CB 0.327 63.507 63.200 -0.034 0.000 1.169 697 S HN 0.375 nan 8.310 nan 0.000 0.490 698 T N 1.345 115.878 114.554 -0.034 0.000 2.788 698 T HA -0.021 4.329 4.350 -0.000 0.000 0.268 698 T C 1.247 175.988 174.700 0.067 0.000 1.044 698 T CA 2.269 64.360 62.100 -0.016 0.000 1.139 698 T CB -0.479 68.372 68.868 -0.029 0.000 0.867 698 T HN 0.677 nan 8.240 nan 0.000 0.454 699 E N 1.118 121.335 120.200 0.029 0.000 2.140 699 E HA 0.107 4.457 4.350 -0.000 0.000 0.191 699 E C 0.681 177.183 176.600 -0.164 0.000 0.973 699 E CA 0.360 56.764 56.400 0.006 0.000 0.829 699 E CB -0.035 29.646 29.700 -0.032 0.000 0.781 699 E HN 0.509 nan 8.360 nan 0.000 0.466 700 N N 1.239 119.864 118.700 -0.125 0.000 3.050 700 N HA 0.065 4.805 4.740 -0.000 0.000 0.289 700 N C -0.458 174.957 175.510 -0.158 0.000 1.209 700 N CA -0.222 52.719 53.050 -0.181 0.000 1.154 700 N CB 0.075 38.509 38.487 -0.088 0.000 1.444 700 N HN 0.183 nan 8.380 nan 0.000 0.529 701 F N -1.779 118.064 119.950 -0.179 0.000 2.704 701 F HA 0.381 4.908 4.527 -0.000 0.000 0.304 701 F C -0.141 175.502 175.800 -0.261 0.000 1.094 701 F CA -0.963 56.881 58.000 -0.261 0.000 1.275 701 F CB -0.377 38.398 39.000 -0.375 0.000 1.073 701 F HN 0.002 nan 8.300 nan 0.000 0.586 702 Y N 1.962 122.148 120.300 -0.190 0.000 2.301 702 Y HA 0.440 4.990 4.550 -0.000 0.000 0.328 702 Y C 0.578 176.478 175.900 0.000 0.000 1.242 702 Y CA -1.366 56.715 58.100 -0.031 0.000 1.323 702 Y CB 0.644 39.029 38.460 -0.126 0.000 1.266 702 Y HN -0.124 nan 8.280 nan 0.000 0.527 703 I N 2.231 122.944 120.570 0.239 0.000 2.304 703 I HA 0.079 4.249 4.170 -0.000 0.000 0.291 703 I C 0.213 176.407 176.117 0.128 0.000 1.018 703 I CA 0.061 61.454 61.300 0.154 0.000 1.260 703 I CB 1.364 39.462 38.000 0.164 0.000 1.390 703 I HN 0.761 nan 8.210 nan 0.000 0.475 704 D N 3.586 124.031 120.400 0.075 0.000 2.259 704 D HA -0.006 4.634 4.640 -0.000 0.000 0.216 704 D C 0.290 176.617 176.300 0.044 0.000 0.961 704 D CA 0.672 54.694 54.000 0.038 0.000 0.878 704 D CB 0.580 41.382 40.800 0.004 0.000 1.009 704 D HN 0.596 nan 8.370 nan 0.000 0.490 705 S N -1.066 114.666 115.700 0.053 0.000 2.607 705 S HA 0.622 5.092 4.470 -0.000 0.000 0.273 705 S C -0.863 173.784 174.600 0.077 0.000 1.148 705 S CA -1.038 57.199 58.200 0.062 0.000 0.833 705 S CB 2.176 65.402 63.200 0.043 0.000 1.130 705 S HN 0.122 nan 8.310 nan 0.000 0.470 706 M N 1.994 121.653 119.600 0.098 0.000 2.421 706 M HA 0.591 5.071 4.480 -0.000 0.000 0.287 706 M C -1.483 174.898 176.300 0.136 0.000 1.183 706 M CA -0.075 55.291 55.300 0.110 0.000 0.916 706 M CB 2.219 34.913 32.600 0.157 0.000 1.701 706 M HN 1.155 nan 8.290 nan 0.000 0.470 707 S N 2.134 117.896 115.700 0.103 0.000 2.697 707 S HA 0.864 5.334 4.470 -0.000 0.000 0.289 707 S C -1.456 173.234 174.600 0.152 0.000 1.149 707 S CA -0.703 57.585 58.200 0.146 0.000 0.850 707 S CB 2.454 65.721 63.200 0.111 0.000 1.151 707 S HN 0.644 nan 8.310 nan 0.000 0.491 708 F N 1.758 121.711 119.950 0.006 0.000 3.287 708 F HA 0.408 4.935 4.527 -0.000 0.000 0.379 708 F C -0.565 175.234 175.800 -0.003 0.000 1.268 708 F CA -1.336 56.645 58.000 -0.032 0.000 1.220 708 F CB -0.336 38.605 39.000 -0.099 0.000 1.687 708 F HN 0.965 nan 8.300 nan 0.000 0.648 709 N N 3.441 122.343 118.700 0.335 0.000 2.714 709 N HA -0.175 4.565 4.740 -0.000 0.000 0.253 709 N C 1.027 176.593 175.510 0.094 0.000 1.024 709 N CA 0.829 53.975 53.050 0.159 0.000 0.726 709 N CB -0.908 37.631 38.487 0.087 0.000 0.908 709 N HN 1.265 nan 8.380 nan 0.000 0.542 710 G N -1.800 107.059 108.800 0.099 0.000 2.205 710 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.261 710 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.261 710 G C 0.106 175.046 174.900 0.067 0.000 0.980 710 G CA 0.358 45.499 45.100 0.068 0.000 0.632 710 G HN 1.060 nan 8.290 nan 0.000 0.533 711 A N 0.209 123.082 122.820 0.088 0.000 2.303 711 A HA 0.632 4.952 4.320 -0.000 0.000 0.320 711 A C -0.005 177.655 177.584 0.125 0.000 1.192 711 A CA 0.377 52.463 52.037 0.083 0.000 0.821 711 A CB 0.892 19.926 19.000 0.057 0.000 1.188 711 A HN 0.590 nan 8.150 nan 0.000 0.492 712 D N 1.321 121.779 120.400 0.097 0.000 2.601 712 D HA -0.062 4.578 4.640 -0.000 0.000 0.229 712 D C -0.145 176.249 176.300 0.156 0.000 1.140 712 D CA 1.468 55.532 54.000 0.107 0.000 0.862 712 D CB 0.159 40.996 40.800 0.062 0.000 1.192 712 D HN 0.529 nan 8.370 nan 0.000 0.480 713 H N 2.268 121.376 119.070 0.064 0.000 3.078 713 H HA 0.230 4.786 4.556 -0.000 0.000 0.319 713 H C -0.104 175.254 175.328 0.049 0.000 0.995 713 H CA -0.184 55.902 56.048 0.062 0.000 1.417 713 H CB 0.984 30.812 29.762 0.110 0.000 1.598 713 H HN 0.488 nan 8.280 nan 0.000 0.515 714 T N 0.892 115.320 114.554 -0.210 0.000 3.040 714 T HA 0.245 4.594 4.350 -0.000 0.000 0.266 714 T C 0.571 175.181 174.700 -0.150 0.000 1.005 714 T CA -0.420 61.629 62.100 -0.086 0.000 0.906 714 T CB 0.620 69.470 68.868 -0.030 0.000 1.082 714 T HN 0.327 nan 8.240 nan 0.000 0.531 715 K N 1.854 121.986 120.400 -0.447 0.000 2.380 715 K HA 0.185 4.505 4.320 -0.000 0.000 0.267 715 K C 0.093 176.663 176.600 -0.050 0.000 0.990 715 K CA 0.082 56.181 56.287 -0.312 0.000 0.946 715 K CB 0.292 32.401 32.500 -0.653 0.000 0.937 715 K HN 0.248 nan 8.250 nan 0.000 0.491 716 N N 0.800 119.576 118.700 0.127 0.000 2.322 716 N HA 0.039 4.778 4.740 -0.000 0.000 0.216 716 N C -1.220 174.494 175.510 0.339 0.000 1.144 716 N CA -0.166 53.017 53.050 0.222 0.000 0.830 716 N CB 0.114 38.707 38.487 0.176 0.000 1.034 716 N HN 0.403 nan 8.380 nan 0.000 0.484 717 Y N -2.100 118.310 120.300 0.185 0.000 2.638 717 Y HA 0.627 5.176 4.550 -0.000 0.000 0.335 717 Y C -1.892 174.166 175.900 0.263 0.000 1.155 717 Y CA -1.451 56.764 58.100 0.193 0.000 1.046 717 Y CB 1.009 39.530 38.460 0.102 0.000 1.303 717 Y HN -0.310 nan 8.280 nan 0.000 0.460 718 L N 2.639 124.025 121.223 0.271 0.000 2.388 718 L HA 0.682 5.022 4.340 -0.000 0.000 0.264 718 L C -0.790 176.255 176.870 0.291 0.000 0.998 718 L CA -1.203 53.726 54.840 0.148 0.000 0.817 718 L CB 2.574 44.594 42.059 -0.065 0.000 1.338 718 L HN 0.716 nan 8.230 nan 0.000 0.414 719 R N 0.077 120.716 120.500 0.233 0.000 2.346 719 R HA 0.275 4.615 4.340 -0.000 0.000 0.311 719 R C 0.437 176.848 176.300 0.185 0.000 0.983 719 R CA -0.859 55.377 56.100 0.227 0.000 0.880 719 R CB 1.445 31.860 30.300 0.192 0.000 1.100 719 R HN 0.524 nan 8.270 nan 0.000 0.453 720 H N 2.492 121.604 119.070 0.069 0.000 2.272 720 H HA -0.259 4.297 4.556 -0.000 0.000 0.289 720 H C 0.926 176.107 175.328 -0.243 0.000 1.100 720 H CA 2.734 58.742 56.048 -0.066 0.000 1.209 720 H CB 0.363 30.006 29.762 -0.198 0.000 1.348 720 H HN 0.706 nan 8.280 nan 0.000 0.481 721 E N -0.150 119.995 120.200 -0.092 0.000 2.110 721 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 721 E C 1.979 178.540 176.600 -0.064 0.000 0.988 721 E CA 1.312 57.648 56.400 -0.106 0.000 0.804 721 E CB -0.045 29.646 29.700 -0.015 0.000 0.745 721 E HN 0.598 nan 8.360 nan 0.000 0.458 722 D N 0.189 120.576 120.400 -0.022 0.000 2.144 722 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 722 D C 1.983 178.353 176.300 0.115 0.000 0.978 722 D CA 0.685 54.676 54.000 -0.016 0.000 0.833 722 D CB -0.089 40.682 40.800 -0.047 0.000 0.961 722 D HN 0.186 nan 8.370 nan 0.000 0.470 723 L N -0.107 121.169 121.223 0.089 0.000 2.017 723 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 723 L C 2.425 179.297 176.870 0.003 0.000 1.073 723 L CA 0.841 55.732 54.840 0.084 0.000 0.745 723 L CB -0.485 41.522 42.059 -0.087 0.000 0.894 723 L HN -0.041 nan 8.230 nan 0.000 0.432 724 F N 1.289 120.931 119.950 -0.514 0.000 2.269 724 F HA -0.206 4.321 4.527 -0.000 0.000 0.301 724 F C 2.798 178.461 175.800 -0.228 0.000 1.082 724 F CA 1.414 59.043 58.000 -0.619 0.000 1.360 724 F CB -1.226 37.435 39.000 -0.565 0.000 1.041 724 F HN 0.070 nan 8.300 nan 0.000 0.512 725 K N 0.624 121.063 120.400 0.065 0.000 2.209 725 K HA 0.260 4.580 4.320 -0.000 0.000 0.204 725 K C 1.484 178.141 176.600 0.095 0.000 1.048 725 K CA 1.125 57.443 56.287 0.052 0.000 0.940 725 K CB -1.376 31.131 32.500 0.012 0.000 0.729 725 K HN 0.586 nan 8.250 nan 0.000 0.451 726 G N -2.589 106.314 108.800 0.172 0.000 2.660 726 G HA2 0.416 4.376 3.960 -0.000 0.000 0.247 726 G HA3 0.416 4.376 3.960 -0.000 0.000 0.247 726 G C 0.798 175.831 174.900 0.222 0.000 1.328 726 G CA 0.256 45.485 45.100 0.216 0.000 0.884 726 G HN 2.036 nan 8.290 nan 0.000 0.531 727 G N -2.837 106.064 108.800 0.169 0.000 2.384 727 G HA2 0.512 4.472 3.960 -0.000 0.000 0.204 727 G HA3 0.512 4.472 3.960 -0.000 0.000 0.204 727 G C -0.251 174.721 174.900 0.119 0.000 1.237 727 G CA 0.532 45.730 45.100 0.164 0.000 1.060 727 G HN 2.178 nan 8.290 nan 0.000 0.514 728 T N 0.676 115.304 114.554 0.122 0.000 2.841 728 T HA 0.671 5.021 4.350 -0.000 0.000 0.283 728 T C 0.032 174.697 174.700 -0.058 0.000 1.000 728 T CA -0.317 61.798 62.100 0.024 0.000 0.977 728 T CB 1.348 70.234 68.868 0.031 0.000 0.979 728 T HN 0.605 nan 8.240 nan 0.000 0.446 729 I N 2.731 123.177 120.570 -0.207 0.000 2.404 729 I HA 0.471 4.641 4.170 -0.000 0.000 0.293 729 I C -0.109 175.934 176.117 -0.123 0.000 0.992 729 I CA -0.971 60.144 61.300 -0.308 0.000 1.149 729 I CB 1.865 39.564 38.000 -0.502 0.000 1.315 729 I HN 0.363 nan 8.210 nan 0.000 0.446 730 K N 5.888 126.251 120.400 -0.063 0.000 2.274 730 K HA 0.571 4.891 4.320 -0.000 0.000 0.262 730 K C -1.443 175.156 176.600 -0.001 0.000 0.961 730 K CA -0.417 55.860 56.287 -0.017 0.000 0.833 730 K CB 1.491 33.997 32.500 0.010 0.000 1.102 730 K HN 0.395 nan 8.250 nan 0.000 0.436 731 V N 3.736 123.653 119.914 0.005 0.000 2.350 731 V HA 0.221 4.341 4.120 -0.000 0.000 0.285 731 V C -0.740 175.369 176.094 0.025 0.000 1.014 731 V CA -1.002 61.313 62.300 0.025 0.000 0.831 731 V CB 1.230 33.071 31.823 0.030 0.000 1.000 731 V HN 0.806 nan 8.190 nan 0.000 0.433 732 D N 5.861 126.279 120.400 0.030 0.000 2.316 732 D HA 0.347 4.987 4.640 -0.000 0.000 0.245 732 D C -0.138 176.176 176.300 0.023 0.000 1.171 732 D CA -0.229 53.784 54.000 0.021 0.000 0.856 732 D CB 0.778 41.589 40.800 0.018 0.000 1.090 732 D HN 0.243 nan 8.370 nan 0.000 0.476 733 M N 2.089 121.696 119.600 0.011 0.000 2.367 733 M HA 0.386 4.866 4.480 -0.000 0.000 0.339 733 M C 0.044 176.337 176.300 -0.012 0.000 1.177 733 M CA -0.693 54.611 55.300 0.007 0.000 1.068 733 M CB 1.106 33.702 32.600 -0.006 0.000 1.602 733 M HN 0.352 nan 8.290 nan 0.000 0.457 734 S N 0.824 116.514 115.700 -0.018 0.000 2.556 734 S HA 0.418 4.888 4.470 -0.000 0.000 0.271 734 S C 0.226 174.782 174.600 -0.072 0.000 1.135 734 S CA -0.744 57.433 58.200 -0.038 0.000 0.858 734 S CB 1.069 64.252 63.200 -0.029 0.000 1.114 734 S HN 0.767 nan 8.310 nan 0.000 0.468 735 N N 2.469 121.108 118.700 -0.101 0.000 2.449 735 N HA 0.090 4.829 4.740 -0.000 0.000 0.191 735 N C -0.144 175.341 175.510 -0.041 0.000 1.161 735 N CA -0.022 52.937 53.050 -0.151 0.000 0.863 735 N CB -0.202 38.204 38.487 -0.135 0.000 0.980 735 N HN 0.460 nan 8.380 nan 0.000 0.458 736 R N 0.351 120.797 120.500 -0.090 0.000 2.673 736 R HA 0.443 4.783 4.340 -0.000 0.000 0.281 736 R C -2.892 172.963 176.300 -0.743 0.000 0.991 736 R CA -1.818 54.050 56.100 -0.386 0.000 0.896 736 R CB 1.960 32.098 30.300 -0.271 0.000 1.201 736 R HN 0.040 nan 8.270 nan 0.000 0.457 737 P HA -0.022 nan 4.420 nan 0.000 0.271 737 P C -0.821 176.123 177.300 -0.595 0.000 1.220 737 P CA -0.272 62.190 63.100 -1.064 0.000 0.768 737 P CB 0.547 31.600 31.700 -1.078 0.000 0.848 738 N N 3.790 122.282 118.700 -0.347 0.000 2.605 738 N HA 0.006 4.746 4.740 -0.000 0.000 0.258 738 N C 0.861 176.131 175.510 -0.399 0.000 1.156 738 N CA -0.143 52.749 53.050 -0.264 0.000 1.008 738 N CB -0.477 37.957 38.487 -0.089 0.000 1.354 738 N HN 0.135 nan 8.380 nan 0.000 0.509 739 L N 2.820 123.647 121.223 -0.660 0.000 2.447 739 L HA -0.096 4.244 4.340 -0.000 0.000 0.225 739 L C 0.713 177.285 176.870 -0.496 0.000 1.148 739 L CA 1.272 55.506 54.840 -1.010 0.000 0.808 739 L CB -0.830 40.771 42.059 -0.763 0.000 0.928 739 L HN 0.558 nan 8.230 nan 0.000 0.448 740 N N -1.631 116.935 118.700 -0.223 0.000 2.187 740 N HA 0.116 4.856 4.740 -0.000 0.000 0.212 740 N C 0.387 175.917 175.510 0.034 0.000 1.152 740 N CA -0.139 52.876 53.050 -0.059 0.000 0.872 740 N CB 0.578 39.025 38.487 -0.067 0.000 1.025 740 N HN 0.121 nan 8.380 nan 0.000 0.514 741 R N 0.288 120.836 120.500 0.080 0.000 2.393 741 R HA 0.479 4.819 4.340 -0.000 0.000 0.310 741 R C 0.205 176.623 176.300 0.197 0.000 0.968 741 R CA 0.071 56.243 56.100 0.119 0.000 0.867 741 R CB 0.726 31.087 30.300 0.102 0.000 1.124 741 R HN 0.102 nan 8.270 nan 0.000 0.450 742 G N 2.475 111.362 108.800 0.145 0.000 2.132 742 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.228 742 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.228 742 G C 0.456 175.447 174.900 0.153 0.000 1.000 742 G CA 0.567 45.754 45.100 0.145 0.000 0.693 742 G HN 0.755 nan 8.290 nan 0.000 0.515 743 T N -2.513 112.133 114.554 0.153 0.000 3.069 743 T HA 0.422 4.772 4.350 -0.000 0.000 0.252 743 T C 0.965 175.724 174.700 0.099 0.000 1.053 743 T CA 0.600 62.791 62.100 0.151 0.000 0.964 743 T CB 0.510 69.495 68.868 0.193 0.000 1.005 743 T HN 0.504 nan 8.240 nan 0.000 0.532 744 K N 1.544 121.989 120.400 0.076 0.000 2.126 744 K HA 0.281 4.601 4.320 -0.000 0.000 0.257 744 K C 1.263 177.892 176.600 0.049 0.000 1.007 744 K CA -0.649 55.670 56.287 0.054 0.000 0.928 744 K CB 0.890 33.415 32.500 0.041 0.000 1.013 744 K HN -0.139 nan 8.250 nan 0.000 0.473 745 E N 2.434 122.657 120.200 0.039 0.000 2.077 745 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 745 E C 1.251 177.874 176.600 0.038 0.000 0.989 745 E CA 1.783 58.201 56.400 0.030 0.000 0.800 745 E CB 0.188 29.901 29.700 0.021 0.000 0.746 745 E HN 0.694 nan 8.360 nan 0.000 0.452 746 E N 0.230 120.457 120.200 0.044 0.000 2.204 746 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 746 E C 1.501 178.158 176.600 0.095 0.000 0.990 746 E CA 1.227 57.664 56.400 0.062 0.000 0.821 746 E CB -0.156 29.570 29.700 0.042 0.000 0.750 746 E HN 0.124 nan 8.360 nan 0.000 0.477 747 D N 0.470 120.912 120.400 0.071 0.000 2.219 747 D HA -0.051 4.588 4.640 -0.000 0.000 0.205 747 D C 0.495 176.891 176.300 0.159 0.000 0.970 747 D CA 0.729 54.780 54.000 0.085 0.000 0.851 747 D CB -0.000 40.834 40.800 0.057 0.000 0.943 747 D HN 0.185 nan 8.370 nan 0.000 0.488 748 M N 1.742 121.391 119.600 0.082 0.000 2.228 748 M HA 0.187 4.667 4.480 -0.000 0.000 0.351 748 M C -1.954 174.258 176.300 -0.147 0.000 1.233 748 M CA -2.017 53.256 55.300 -0.045 0.000 1.129 748 M CB -0.079 32.478 32.600 -0.072 0.000 1.604 748 M HN -0.198 nan 8.290 nan 0.000 0.457 749 P HA 0.057 nan 4.420 nan 0.000 0.286 749 P C -0.567 176.521 177.300 -0.354 0.000 1.293 749 P CA -0.423 62.270 63.100 -0.678 0.000 0.770 749 P CB 0.223 31.547 31.700 -0.627 0.000 1.206 750 Y N 0.312 120.417 120.300 -0.325 0.000 2.805 750 Y HA 0.089 4.639 4.550 -0.000 0.000 0.337 750 Y C -0.163 175.774 175.900 0.063 0.000 1.252 750 Y CA 1.452 59.508 58.100 -0.074 0.000 1.515 750 Y CB 0.065 38.526 38.460 0.001 0.000 1.305 750 Y HN 0.172 nan 8.280 nan 0.000 0.600 751 S N 7.220 122.623 115.700 -0.494 0.000 2.575 751 S HA 0.154 4.624 4.470 -0.000 0.000 0.278 751 S C 0.023 174.277 174.600 -0.577 0.000 1.139 751 S CA -0.842 57.145 58.200 -0.356 0.000 0.954 751 S CB 0.993 64.113 63.200 -0.134 0.000 1.054 751 S HN 0.722 nan 8.310 nan 0.000 0.483 752 F N 4.039 123.708 119.950 -0.468 0.000 2.043 752 F HA -0.188 4.339 4.527 -0.000 0.000 0.297 752 F C 2.715 178.453 175.800 -0.103 0.000 1.121 752 F CA 2.492 60.400 58.000 -0.153 0.000 1.199 752 F CB -0.948 38.187 39.000 0.224 0.000 0.968 752 F HN 0.696 nan 8.300 nan 0.000 0.478 753 S N -0.057 115.541 115.700 -0.170 0.000 2.387 753 S HA -0.273 4.197 4.470 -0.000 0.000 0.230 753 S C 2.086 176.541 174.600 -0.241 0.000 1.035 753 S CA 1.545 59.589 58.200 -0.260 0.000 1.014 753 S CB -0.805 62.325 63.200 -0.116 0.000 0.836 753 S HN 0.543 nan 8.310 nan 0.000 0.466 754 K N 1.458 121.738 120.400 -0.200 0.000 2.057 754 K HA 0.000 4.320 4.320 -0.000 0.000 0.207 754 K C 1.638 178.156 176.600 -0.138 0.000 1.049 754 K CA 1.196 57.391 56.287 -0.154 0.000 0.931 754 K CB -0.867 31.550 32.500 -0.139 0.000 0.714 754 K HN 0.774 nan 8.250 nan 0.000 0.440 755 E N 0.000 120.105 120.200 -0.158 0.000 2.725 755 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 755 E CA 0.000 56.386 56.400 -0.023 0.000 0.976 755 E CB 0.000 29.802 29.700 0.171 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440