REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2wvz_1_A DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL MGSQSTFELS TGNTYPAIAR PWGMNFWTPQ TGKMGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIMP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE MTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANMNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY MFTDTGFWDT FRCLFPLLNL MYPSVNKEMQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCMVGNNS ASILVDAYMK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAMNYK NLFDKESKLM RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLMGGKEM FVTMMDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREM TVMNMGNYAH GNQPIQHMIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVMD RMYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VMGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSMSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDMSNRPNL NRGTKEEDMP YSFSKELE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.306 176.600 -0.491 0.000 0.988 20 K CA 0.000 56.065 56.287 -0.369 0.000 0.838 20 K CB 0.000 32.263 32.500 -0.395 0.000 1.064 21 D N 0.855 120.884 120.400 -0.618 0.000 2.344 21 D HA 0.672 5.313 4.640 0.002 0.000 0.239 21 D C 0.227 176.080 176.300 -0.745 0.000 1.064 21 D CA -0.336 53.356 54.000 -0.513 0.000 0.829 21 D CB 0.810 41.396 40.800 -0.357 0.000 1.129 21 D HN 0.558 nan 8.370 nan 0.000 0.506 22 W N 1.528 122.660 121.300 -0.281 0.000 2.996 22 W HA 0.076 4.737 4.660 0.002 0.000 0.270 22 W C 2.475 178.806 176.519 -0.313 0.000 1.280 22 W CA 0.360 57.457 57.345 -0.414 0.000 1.549 22 W CB -0.344 28.802 29.460 -0.525 0.000 1.079 22 W HN 0.512 nan 8.180 nan 0.000 0.629 23 T N -0.134 114.415 114.554 -0.008 0.000 2.822 23 T HA -0.350 4.002 4.350 0.002 0.000 0.270 23 T C 1.635 176.292 174.700 -0.072 0.000 1.064 23 T CA 1.808 63.913 62.100 0.008 0.000 1.131 23 T CB -0.587 68.361 68.868 0.134 0.000 0.858 23 T HN 0.499 nan 8.240 nan 0.000 0.483 24 Q N -0.416 119.247 119.800 -0.229 0.000 2.297 24 Q HA -0.158 4.183 4.340 0.002 0.000 0.208 24 Q C 1.494 177.379 176.000 -0.193 0.000 0.981 24 Q CA 1.343 56.982 55.803 -0.273 0.000 0.876 24 Q CB -0.664 27.794 28.738 -0.467 0.000 0.921 24 Q HN 0.620 nan 8.270 nan 0.000 0.446 25 Y N 0.699 121.025 120.300 0.044 0.000 2.517 25 Y HA 0.199 4.750 4.550 0.002 0.000 0.281 25 Y C 0.827 176.795 175.900 0.114 0.000 1.125 25 Y CA -0.812 57.370 58.100 0.137 0.000 1.283 25 Y CB 0.396 39.021 38.460 0.274 0.000 1.042 25 Y HN -0.117 nan 8.280 nan 0.000 0.547 26 V N 2.484 122.479 119.914 0.135 0.000 2.508 26 V HA 0.040 4.161 4.120 0.002 0.000 0.281 26 V C 0.031 176.053 176.094 -0.120 0.000 1.041 26 V CA -0.394 61.880 62.300 -0.042 0.000 1.016 26 V CB 0.582 32.211 31.823 -0.324 0.000 0.984 26 V HN 0.235 nan 8.190 nan 0.000 0.478 27 N N 6.947 125.598 118.700 -0.082 0.000 2.564 27 N HA 0.408 5.150 4.740 0.002 0.000 0.248 27 N C -1.978 173.490 175.510 -0.070 0.000 0.986 27 N CA -2.258 50.755 53.050 -0.061 0.000 0.921 27 N CB 2.178 40.670 38.487 0.008 0.000 1.136 27 N HN 0.181 nan 8.380 nan 0.000 0.509 28 P HA 0.004 nan 4.420 nan 0.000 0.225 28 P C 0.958 178.300 177.300 0.070 0.000 1.148 28 P CA 0.864 63.929 63.100 -0.058 0.000 0.779 28 P CB 0.374 31.991 31.700 -0.138 0.000 0.780 29 L N -2.292 118.984 121.223 0.089 0.000 2.509 29 L HA 0.147 4.489 4.340 0.002 0.000 0.222 29 L C 1.439 178.388 176.870 0.133 0.000 1.123 29 L CA -0.098 54.846 54.840 0.173 0.000 0.856 29 L CB -0.520 41.684 42.059 0.241 0.000 0.985 29 L HN 0.064 nan 8.230 nan 0.000 0.456 30 M N 1.128 120.783 119.600 0.091 0.000 2.427 30 M HA 0.139 4.621 4.480 0.002 0.000 0.345 30 M C 0.906 177.325 176.300 0.198 0.000 1.653 30 M CA 1.187 56.530 55.300 0.072 0.000 1.138 30 M CB -0.022 32.593 32.600 0.024 0.000 1.995 30 M HN 0.284 nan 8.290 nan 0.000 0.459 31 G N 1.972 110.887 108.800 0.193 0.000 2.211 31 G HA2 -0.247 3.714 3.960 0.002 0.000 0.201 31 G HA3 -0.247 3.714 3.960 0.002 0.000 0.201 31 G C 0.553 175.579 174.900 0.210 0.000 0.997 31 G CA 0.333 45.591 45.100 0.262 0.000 0.652 31 G HN 0.824 nan 8.290 nan 0.000 0.500 32 S N -0.641 115.200 115.700 0.234 0.000 2.528 32 S HA 0.230 4.701 4.470 0.002 0.000 0.219 32 S C 1.161 175.950 174.600 0.316 0.000 0.985 32 S CA 1.032 59.442 58.200 0.350 0.000 0.914 32 S CB 0.248 63.801 63.200 0.587 0.000 0.776 32 S HN 0.473 nan 8.310 nan 0.000 0.526 33 Q N 1.914 121.829 119.800 0.192 0.000 3.170 33 Q HA 0.377 4.718 4.340 0.002 0.000 0.346 33 Q C -1.026 175.062 176.000 0.147 0.000 1.333 33 Q CA -0.251 55.648 55.803 0.159 0.000 0.958 33 Q CB -0.161 28.584 28.738 0.012 0.000 1.600 33 Q HN 0.328 nan 8.270 nan 0.000 0.482 34 S N 0.106 115.927 115.700 0.201 0.000 2.513 34 S HA 0.568 5.040 4.470 0.002 0.000 0.299 34 S C -0.480 174.257 174.600 0.228 0.000 1.087 34 S CA -0.652 57.674 58.200 0.209 0.000 1.012 34 S CB 1.731 65.080 63.200 0.248 0.000 1.044 34 S HN 0.545 nan 8.310 nan 0.000 0.485 35 T N -0.257 114.383 114.554 0.144 0.000 2.924 35 T HA 0.525 4.877 4.350 0.002 0.000 0.291 35 T C 0.802 175.526 174.700 0.040 0.000 1.045 35 T CA -0.775 61.337 62.100 0.021 0.000 1.015 35 T CB 0.697 69.557 68.868 -0.013 0.000 1.103 35 T HN 0.365 nan 8.240 nan 0.000 0.496 36 F N 1.749 121.495 119.950 -0.339 0.000 2.087 36 F HA -0.109 4.419 4.527 0.002 0.000 0.299 36 F C 2.043 177.872 175.800 0.048 0.000 1.100 36 F CA 2.041 59.934 58.000 -0.179 0.000 1.226 36 F CB -0.331 38.423 39.000 -0.410 0.000 0.983 36 F HN 0.727 nan 8.300 nan 0.000 0.479 37 E N 0.007 120.240 120.200 0.056 0.000 2.204 37 E HA 0.026 4.377 4.350 0.002 0.000 0.194 37 E C -0.119 176.482 176.600 0.002 0.000 0.989 37 E CA 0.903 57.308 56.400 0.009 0.000 0.824 37 E CB 0.006 29.751 29.700 0.075 0.000 0.756 37 E HN 0.335 nan 8.360 nan 0.000 0.477 38 L N -0.131 121.106 121.223 0.023 0.000 2.555 38 L HA 0.330 4.671 4.340 0.002 0.000 0.264 38 L C -0.916 175.992 176.870 0.063 0.000 0.972 38 L CA -0.327 54.541 54.840 0.048 0.000 0.876 38 L CB 1.931 44.011 42.059 0.035 0.000 1.216 38 L HN -0.205 nan 8.230 nan 0.000 0.415 39 S N 1.342 117.089 115.700 0.078 0.000 2.548 39 S HA 0.421 4.893 4.470 0.002 0.000 0.277 39 S C 0.913 175.575 174.600 0.102 0.000 1.315 39 S CA 0.305 58.558 58.200 0.088 0.000 1.050 39 S CB 0.621 63.871 63.200 0.084 0.000 0.918 39 S HN 0.749 nan 8.310 nan 0.000 0.497 40 T N 0.993 115.616 114.554 0.115 0.000 3.228 40 T HA 0.544 4.895 4.350 0.002 0.000 0.278 40 T C 0.971 175.800 174.700 0.216 0.000 1.014 40 T CA 0.198 62.376 62.100 0.130 0.000 0.904 40 T CB 0.310 69.235 68.868 0.095 0.000 1.110 40 T HN 0.954 nan 8.240 nan 0.000 0.541 41 G N 1.474 110.363 108.800 0.148 0.000 3.511 41 G HA2 -0.106 3.855 3.960 0.002 0.000 0.218 41 G HA3 -0.106 3.855 3.960 0.002 0.000 0.218 41 G C 0.123 175.014 174.900 -0.014 0.000 1.001 41 G CA -0.234 44.903 45.100 0.062 0.000 0.877 41 G HN 0.314 nan 8.290 nan 0.000 0.450 42 N N 1.657 120.384 118.700 0.045 0.000 2.699 42 N HA -0.147 4.594 4.740 0.002 0.000 0.256 42 N C 0.427 175.896 175.510 -0.069 0.000 0.993 42 N CA 1.864 54.894 53.050 -0.034 0.000 0.759 42 N CB -1.309 37.101 38.487 -0.128 0.000 0.906 42 N HN 1.261 nan 8.380 nan 0.000 0.541 43 T N -2.681 111.884 114.554 0.019 0.000 2.938 43 T HA 0.763 5.114 4.350 0.002 0.000 0.285 43 T C -0.054 174.707 174.700 0.102 0.000 1.028 43 T CA -0.809 61.276 62.100 -0.024 0.000 1.005 43 T CB 1.968 70.830 68.868 -0.010 0.000 1.157 43 T HN 0.228 nan 8.240 nan 0.000 0.550 44 Y N -2.218 118.138 120.300 0.093 0.000 2.602 44 Y HA 0.761 5.312 4.550 0.002 0.000 0.342 44 Y C -3.071 172.824 175.900 -0.007 0.000 1.029 44 Y CA -3.659 54.482 58.100 0.068 0.000 1.080 44 Y CB 0.179 38.669 38.460 0.051 0.000 1.284 44 Y HN 0.374 nan 8.280 nan 0.000 0.485 45 P HA 0.202 nan 4.420 nan 0.000 0.269 45 P C -0.781 176.554 177.300 0.059 0.000 1.263 45 P CA 0.211 63.274 63.100 -0.062 0.000 0.813 45 P CB 0.226 31.759 31.700 -0.278 0.000 0.868 46 A N 6.109 128.949 122.820 0.033 0.000 2.506 46 A HA 0.360 4.682 4.320 0.002 0.000 0.320 46 A C 0.191 177.742 177.584 -0.055 0.000 1.424 46 A CA -0.531 51.498 52.037 -0.012 0.000 1.044 46 A CB -0.434 18.376 19.000 -0.317 0.000 1.140 46 A HN 0.364 nan 8.150 nan 0.000 0.538 47 I N 2.204 122.779 120.570 0.008 0.000 2.322 47 I HA 0.561 4.732 4.170 0.002 0.000 0.292 47 I C 0.560 176.732 176.117 0.092 0.000 1.060 47 I CA 0.219 61.537 61.300 0.031 0.000 1.309 47 I CB -0.363 37.648 38.000 0.020 0.000 1.415 47 I HN 0.675 nan 8.210 nan 0.000 0.492 48 A N 7.189 130.086 122.820 0.128 0.000 2.540 48 A HA 0.754 5.075 4.320 0.002 0.000 0.291 48 A C -0.560 177.223 177.584 0.332 0.000 1.083 48 A CA -0.862 51.259 52.037 0.140 0.000 0.650 48 A CB 1.637 20.429 19.000 -0.346 0.000 1.292 48 A HN 0.452 nan 8.150 nan 0.000 0.435 49 R N -0.089 120.503 120.500 0.153 0.000 2.543 49 R HA 0.516 4.857 4.340 0.002 0.000 0.268 49 R C -2.688 173.404 176.300 -0.348 0.000 1.067 49 R CA -2.327 53.685 56.100 -0.146 0.000 1.142 49 R CB -0.444 29.797 30.300 -0.099 0.000 1.110 49 R HN 0.411 nan 8.270 nan 0.000 0.549 50 P HA -0.139 nan 4.420 nan 0.000 0.257 50 P C -0.241 176.829 177.300 -0.384 0.000 1.162 50 P CA 0.597 63.019 63.100 -1.131 0.000 0.762 50 P CB 0.130 31.063 31.700 -1.279 0.000 0.753 51 W N 0.486 121.815 121.300 0.048 0.000 4.233 51 W HA -0.156 4.505 4.660 0.003 0.000 0.328 51 W C 0.747 177.410 176.519 0.241 0.000 1.212 51 W CA 0.837 58.294 57.345 0.186 0.000 0.752 51 W CB -2.506 27.079 29.460 0.210 0.000 2.277 51 W HN 0.502 nan 8.180 nan 0.000 1.465 52 G N 1.056 110.130 108.800 0.458 0.000 2.287 52 G HA2 0.136 4.097 3.960 0.002 0.000 0.235 52 G HA3 0.136 4.097 3.960 0.002 0.000 0.235 52 G C 0.880 175.987 174.900 0.345 0.000 1.258 52 G CA 0.375 45.736 45.100 0.435 0.000 0.884 52 G HN 0.329 nan 8.290 nan 0.000 0.518 53 M N 1.736 121.461 119.600 0.207 0.000 2.229 53 M HA -0.003 4.478 4.480 0.002 0.000 0.264 53 M C 0.053 176.499 176.300 0.242 0.000 1.063 53 M CA 1.081 56.492 55.300 0.184 0.000 1.114 53 M CB 0.062 32.727 32.600 0.110 0.000 1.387 53 M HN 0.404 nan 8.290 nan 0.000 0.420 54 N N 0.052 118.880 118.700 0.213 0.000 2.410 54 N HA 0.288 5.029 4.740 0.002 0.000 0.287 54 N C -1.705 173.942 175.510 0.228 0.000 1.044 54 N CA -0.328 52.749 53.050 0.045 0.000 0.881 54 N CB 1.272 39.830 38.487 0.118 0.000 1.405 54 N HN -0.021 nan 8.380 nan 0.000 0.490 55 F N 0.598 120.394 119.950 -0.257 0.000 2.403 55 F HA 0.532 5.060 4.527 0.002 0.000 0.326 55 F C 0.111 175.719 175.800 -0.318 0.000 1.081 55 F CA -1.120 56.822 58.000 -0.096 0.000 1.041 55 F CB 0.724 39.714 39.000 -0.016 0.000 1.234 55 F HN 0.288 nan 8.300 nan 0.000 0.503 56 W N -0.065 121.288 121.300 0.087 0.000 2.844 56 W HA 0.571 5.232 4.660 0.002 0.000 0.340 56 W C -0.394 176.079 176.519 -0.076 0.000 1.093 56 W CA -0.555 56.765 57.345 -0.042 0.000 1.212 56 W CB 2.136 31.554 29.460 -0.070 0.000 1.422 56 W HN 0.421 nan 8.180 nan 0.000 0.515 57 T N 3.427 118.030 114.554 0.083 0.000 3.012 57 T HA 0.406 4.757 4.350 0.002 0.000 0.330 57 T C -2.914 171.676 174.700 -0.183 0.000 1.321 57 T CA -1.799 60.236 62.100 -0.109 0.000 1.067 57 T CB 1.322 70.122 68.868 -0.114 0.000 1.235 57 T HN 0.100 nan 8.240 nan 0.000 0.479 58 P HA 0.089 nan 4.420 nan 0.000 0.265 58 P C -1.082 176.104 177.300 -0.190 0.000 1.187 58 P CA 0.060 62.899 63.100 -0.436 0.000 0.766 58 P CB 0.443 31.857 31.700 -0.477 0.000 0.820 59 Q N 1.374 121.021 119.800 -0.256 0.000 2.327 59 Q HA 0.281 4.622 4.340 0.002 0.000 0.270 59 Q C 0.706 176.628 176.000 -0.130 0.000 1.022 59 Q CA -0.404 55.327 55.803 -0.120 0.000 0.773 59 Q CB 1.185 29.849 28.738 -0.124 0.000 1.251 59 Q HN 0.526 nan 8.270 nan 0.000 0.457 60 T N -0.165 114.354 114.554 -0.058 0.000 3.039 60 T HA 0.254 4.606 4.350 0.002 0.000 0.250 60 T C 0.882 175.531 174.700 -0.084 0.000 1.052 60 T CA 0.469 62.502 62.100 -0.112 0.000 1.125 60 T CB 0.170 68.932 68.868 -0.175 0.000 0.908 60 T HN 0.508 nan 8.240 nan 0.000 0.473 61 G N 1.222 110.000 108.800 -0.036 0.000 2.537 61 G HA2 0.503 4.464 3.960 0.002 0.000 0.273 61 G HA3 0.503 4.464 3.960 0.002 0.000 0.273 61 G C -0.682 174.193 174.900 -0.042 0.000 1.189 61 G CA -0.860 44.228 45.100 -0.020 0.000 0.881 61 G HN 0.442 nan 8.290 nan 0.000 0.535 62 K N 0.057 120.428 120.400 -0.048 0.000 2.168 62 K HA 0.186 4.508 4.320 0.002 0.000 0.258 62 K C 0.803 177.360 176.600 -0.072 0.000 1.010 62 K CA -0.350 55.892 56.287 -0.074 0.000 0.929 62 K CB 1.099 33.555 32.500 -0.073 0.000 0.998 62 K HN 0.574 nan 8.250 nan 0.000 0.479 63 M N 1.382 120.893 119.600 -0.149 0.000 2.260 63 M HA -0.025 4.456 4.480 0.002 0.000 0.348 63 M C 0.728 176.975 176.300 -0.089 0.000 1.342 63 M CA 1.940 57.112 55.300 -0.213 0.000 1.040 63 M CB -0.133 32.118 32.600 -0.582 0.000 1.810 63 M HN 0.937 nan 8.290 nan 0.000 0.453 64 G N 3.054 111.869 108.800 0.024 0.000 2.317 64 G HA2 -0.251 3.710 3.960 0.002 0.000 0.227 64 G HA3 -0.251 3.710 3.960 0.002 0.000 0.227 64 G C -0.096 174.837 174.900 0.054 0.000 1.042 64 G CA 0.221 45.349 45.100 0.048 0.000 0.623 64 G HN 0.824 nan 8.290 nan 0.000 0.509 65 D N 1.594 122.025 120.400 0.051 0.000 2.425 65 D HA 0.437 5.079 4.640 0.002 0.000 0.247 65 D C 1.694 178.060 176.300 0.110 0.000 1.147 65 D CA 0.853 54.913 54.000 0.102 0.000 0.879 65 D CB 0.825 41.682 40.800 0.096 0.000 1.179 65 D HN 0.302 nan 8.370 nan 0.000 0.456 66 G N 3.593 112.481 108.800 0.147 0.000 2.443 66 G HA2 -0.182 3.779 3.960 0.002 0.000 0.219 66 G HA3 -0.182 3.779 3.960 0.002 0.000 0.219 66 G C 0.630 175.402 174.900 -0.212 0.000 1.131 66 G CA -0.231 44.797 45.100 -0.119 0.000 0.775 66 G HN 0.577 nan 8.290 nan 0.000 0.547 67 W N 2.271 123.517 121.300 -0.090 0.000 2.072 67 W HA 0.226 4.887 4.660 0.002 0.000 0.413 67 W C 1.312 177.821 176.519 -0.015 0.000 0.865 67 W CA -0.508 56.809 57.345 -0.046 0.000 1.579 67 W CB 0.074 29.501 29.460 -0.054 0.000 1.720 67 W HN 0.498 nan 8.180 nan 0.000 0.301 68 Q N 1.384 121.233 119.800 0.082 0.000 2.331 68 Q HA -0.107 4.234 4.340 0.002 0.000 0.203 68 Q C -0.090 175.982 176.000 0.120 0.000 0.944 68 Q CA 0.953 56.778 55.803 0.036 0.000 0.892 68 Q CB 0.282 28.952 28.738 -0.113 0.000 0.983 68 Q HN 0.413 nan 8.270 nan 0.000 0.482 69 Y N 1.483 121.819 120.300 0.059 0.000 2.330 69 Y HA 0.328 4.879 4.550 0.002 0.000 0.324 69 Y C -1.395 174.625 175.900 0.200 0.000 1.093 69 Y CA -0.704 57.461 58.100 0.109 0.000 1.103 69 Y CB 1.920 40.444 38.460 0.107 0.000 1.183 69 Y HN 0.093 nan 8.280 nan 0.000 0.433 70 T N 2.025 116.522 114.554 -0.095 0.000 2.829 70 T HA 0.169 4.521 4.350 0.002 0.000 0.280 70 T C 0.317 174.954 174.700 -0.105 0.000 0.999 70 T CA -0.540 61.582 62.100 0.038 0.000 0.983 70 T CB 1.125 70.054 68.868 0.102 0.000 0.968 70 T HN 0.748 nan 8.240 nan 0.000 0.446 71 Y N 2.786 123.101 120.300 0.025 0.000 2.384 71 Y HA -0.081 4.470 4.550 0.001 0.000 0.289 71 Y C 2.376 178.350 175.900 0.124 0.000 1.152 71 Y CA 1.641 59.803 58.100 0.103 0.000 1.258 71 Y CB -0.132 38.379 38.460 0.085 0.000 0.979 71 Y HN 0.755 nan 8.280 nan 0.000 0.549 72 T N 0.542 115.162 114.554 0.110 0.000 3.081 72 T HA 0.258 4.609 4.350 0.002 0.000 0.255 72 T C 0.628 175.269 174.700 -0.097 0.000 1.113 72 T CA 0.393 62.516 62.100 0.038 0.000 1.082 72 T CB -0.491 68.417 68.868 0.067 0.000 0.939 72 T HN 0.353 nan 8.240 nan 0.000 0.506 73 A N 1.687 124.420 122.820 -0.145 0.000 2.477 73 A HA 0.233 4.555 4.320 0.002 0.000 0.246 73 A C 1.168 178.562 177.584 -0.318 0.000 1.078 73 A CA -0.310 51.607 52.037 -0.201 0.000 0.770 73 A CB 0.166 19.062 19.000 -0.172 0.000 1.011 73 A HN 0.210 nan 8.150 nan 0.000 0.494 74 N N 0.524 118.960 118.700 -0.440 0.000 2.376 74 N HA 0.021 4.762 4.740 0.002 0.000 0.177 74 N C -0.208 174.922 175.510 -0.632 0.000 1.024 74 N CA 1.095 53.664 53.050 -0.802 0.000 0.893 74 N CB 0.079 37.785 38.487 -1.301 0.000 0.980 74 N HN 0.690 nan 8.380 nan 0.000 0.439 75 K N 0.030 120.251 120.400 -0.297 0.000 2.464 75 K HA 0.468 4.789 4.320 0.002 0.000 0.253 75 K C -0.858 175.712 176.600 -0.052 0.000 0.933 75 K CA -0.536 55.673 56.287 -0.130 0.000 0.801 75 K CB 2.674 34.998 32.500 -0.294 0.000 1.271 75 K HN -0.163 nan 8.250 nan 0.000 0.430 76 I N 2.951 123.458 120.570 -0.104 0.000 2.392 76 I HA 0.271 4.442 4.170 0.002 0.000 0.295 76 I C 1.284 177.279 176.117 -0.203 0.000 0.985 76 I CA -0.375 60.759 61.300 -0.276 0.000 1.221 76 I CB 1.160 38.853 38.000 -0.512 0.000 1.366 76 I HN 0.692 nan 8.210 nan 0.000 0.467 77 R N 4.254 124.623 120.500 -0.217 0.000 2.476 77 R HA 0.487 4.828 4.340 0.002 0.000 0.276 77 R C 0.095 176.302 176.300 -0.154 0.000 0.941 77 R CA -0.130 55.880 56.100 -0.150 0.000 1.088 77 R CB 0.990 31.211 30.300 -0.132 0.000 1.216 77 R HN 0.733 nan 8.270 nan 0.000 0.533 78 G N 0.563 109.198 108.800 -0.275 0.000 2.338 78 G HA2 0.400 4.362 3.960 0.002 0.000 0.295 78 G HA3 0.400 4.362 3.960 0.002 0.000 0.295 78 G C -1.975 172.671 174.900 -0.423 0.000 1.461 78 G CA -0.891 44.103 45.100 -0.177 0.000 0.817 78 G HN 0.028 nan 8.290 nan 0.000 0.556 79 F N 1.061 121.068 119.950 0.095 0.000 2.427 79 F HA 0.633 5.162 4.527 0.002 0.000 0.348 79 F C 0.507 176.442 175.800 0.224 0.000 1.125 79 F CA -0.749 57.375 58.000 0.207 0.000 0.989 79 F CB 2.446 41.693 39.000 0.411 0.000 1.165 79 F HN 0.153 nan 8.300 nan 0.000 0.442 80 K N 3.143 123.641 120.400 0.163 0.000 2.270 80 K HA 0.290 4.611 4.320 0.002 0.000 0.255 80 K C -0.872 175.273 176.600 -0.760 0.000 0.936 80 K CA -0.689 55.439 56.287 -0.266 0.000 0.809 80 K CB 2.006 34.341 32.500 -0.274 0.000 1.131 80 K HN 0.745 nan 8.250 nan 0.000 0.427 81 Q N 2.183 121.055 119.800 -1.546 0.000 2.267 81 Q HA 0.174 4.516 4.340 0.002 0.000 0.255 81 Q C -1.116 174.221 176.000 -1.105 0.000 0.923 81 Q CA 0.111 54.780 55.803 -1.891 0.000 0.925 81 Q CB 1.296 28.808 28.738 -2.043 0.000 1.195 81 Q HN 0.604 nan 8.270 nan 0.000 0.417 82 T N 2.171 116.159 114.554 -0.943 0.000 2.900 82 T HA 0.405 4.757 4.350 0.002 0.000 0.303 82 T C -0.881 173.334 174.700 -0.809 0.000 1.142 82 T CA -0.458 61.235 62.100 -0.679 0.000 1.007 82 T CB 1.006 69.544 68.868 -0.551 0.000 1.156 82 T HN 0.798 nan 8.240 nan 0.000 0.490 83 H N 0.598 119.440 119.070 -0.380 0.000 3.233 83 H HA 0.355 4.912 4.556 0.002 0.000 0.263 83 H C 0.665 175.966 175.328 -0.045 0.000 1.168 83 H CA -0.369 55.469 56.048 -0.350 0.000 1.159 83 H CB 0.501 29.842 29.762 -0.703 0.000 1.593 83 H HN 0.507 nan 8.280 nan 0.000 0.580 84 Q N 3.805 123.656 119.800 0.085 0.000 2.262 84 Q HA -0.012 4.329 4.340 0.002 0.000 0.298 84 Q C -1.617 174.626 176.000 0.405 0.000 1.083 84 Q CA -1.106 54.814 55.803 0.194 0.000 0.962 84 Q CB 0.994 29.762 28.738 0.050 0.000 1.104 84 Q HN 0.190 nan 8.270 nan 0.000 0.376 85 P HA 0.018 nan 4.420 nan 0.000 0.235 85 P C -0.697 176.605 177.300 0.003 0.000 1.177 85 P CA 0.516 63.681 63.100 0.108 0.000 0.785 85 P CB 0.479 32.316 31.700 0.227 0.000 0.885 86 S N -2.732 112.984 115.700 0.026 0.000 2.597 86 S HA 0.349 4.821 4.470 0.002 0.000 0.274 86 S C -2.746 171.683 174.600 -0.284 0.000 1.132 86 S CA -1.063 57.081 58.200 -0.093 0.000 0.835 86 S CB 1.266 64.481 63.200 0.024 0.000 1.092 86 S HN -0.260 nan 8.310 nan 0.000 0.457 87 P HA -0.002 nan 4.420 nan 0.000 0.225 87 P C 0.592 177.386 177.300 -0.843 0.000 1.148 87 P CA 1.015 63.456 63.100 -1.099 0.000 0.779 87 P CB -0.250 30.064 31.700 -2.310 0.000 0.780 88 W N -0.417 120.755 121.300 -0.213 0.000 2.480 88 W HA 0.057 4.719 4.660 0.002 0.000 0.299 88 W C 2.355 178.781 176.519 -0.155 0.000 1.187 88 W CA -0.251 57.032 57.345 -0.103 0.000 1.347 88 W CB -0.904 28.516 29.460 -0.066 0.000 1.121 88 W HN -0.237 nan 8.180 nan 0.000 0.533 89 I N 0.238 120.778 120.570 -0.051 0.000 2.353 89 I HA -0.174 3.997 4.170 0.002 0.000 0.248 89 I C 1.368 177.437 176.117 -0.082 0.000 1.119 89 I CA 1.312 62.504 61.300 -0.182 0.000 1.417 89 I CB -1.459 36.323 38.000 -0.364 0.000 1.078 89 I HN 0.230 nan 8.210 nan 0.000 0.421 90 N N 0.662 119.321 118.700 -0.068 0.000 4.095 90 N HA -0.213 4.529 4.740 0.002 0.000 0.258 90 N C -0.354 175.180 175.510 0.040 0.000 0.898 90 N CA 1.130 54.161 53.050 -0.032 0.000 0.984 90 N CB -0.573 37.911 38.487 -0.005 0.000 0.928 90 N HN 0.214 nan 8.380 nan 0.000 0.560 91 D N -0.786 119.656 120.400 0.071 0.000 2.490 91 D HA 0.719 5.361 4.640 0.002 0.000 0.232 91 D C -1.058 175.366 176.300 0.206 0.000 1.053 91 D CA -0.032 54.025 54.000 0.095 0.000 0.914 91 D CB 1.082 41.879 40.800 -0.005 0.000 1.431 91 D HN 0.444 nan 8.370 nan 0.000 0.483 92 Y N -1.962 118.400 120.300 0.104 0.000 2.638 92 Y HA 0.528 5.079 4.550 0.002 0.000 0.335 92 Y C 0.301 176.427 175.900 0.377 0.000 1.155 92 Y CA -1.122 57.068 58.100 0.151 0.000 1.046 92 Y CB 0.938 39.354 38.460 -0.073 0.000 1.303 92 Y HN 0.523 nan 8.280 nan 0.000 0.460 93 G N 2.042 111.220 108.800 0.630 0.000 2.359 93 G HA2 -0.090 3.871 3.960 0.002 0.000 0.298 93 G HA3 -0.090 3.871 3.960 0.002 0.000 0.298 93 G C -0.783 174.251 174.900 0.223 0.000 1.030 93 G CA 0.373 45.783 45.100 0.516 0.000 1.149 93 G HN 1.065 nan 8.290 nan 0.000 0.512 94 Q N -0.743 119.067 119.800 0.016 0.000 2.304 94 Q HA 0.832 5.173 4.340 0.002 0.000 0.270 94 Q C -0.438 175.171 176.000 -0.652 0.000 1.035 94 Q CA -1.285 54.270 55.803 -0.415 0.000 0.781 94 Q CB 2.066 30.500 28.738 -0.507 0.000 1.261 94 Q HN 1.082 nan 8.270 nan 0.000 0.444 95 F N -0.700 118.757 119.950 -0.822 0.000 2.711 95 F HA 0.857 5.385 4.527 0.002 0.000 0.313 95 F C -1.369 174.183 175.800 -0.414 0.000 1.141 95 F CA -0.690 56.898 58.000 -0.686 0.000 0.941 95 F CB 1.501 40.182 39.000 -0.532 0.000 1.349 95 F HN 0.726 nan 8.300 nan 0.000 0.464 96 S N 1.346 117.065 115.700 0.031 0.000 2.607 96 S HA 0.820 5.291 4.470 0.002 0.000 0.273 96 S C -1.703 173.023 174.600 0.211 0.000 1.148 96 S CA -0.751 57.477 58.200 0.047 0.000 0.833 96 S CB 1.968 65.269 63.200 0.168 0.000 1.130 96 S HN 1.211 nan 8.310 nan 0.000 0.470 97 I N 1.160 121.845 120.570 0.192 0.000 2.730 97 I HA 0.807 4.978 4.170 0.002 0.000 0.298 97 I C -1.893 174.328 176.117 0.174 0.000 1.089 97 I CA -1.213 60.176 61.300 0.148 0.000 1.041 97 I CB 2.104 40.116 38.000 0.021 0.000 1.235 97 I HN 0.913 nan 8.210 nan 0.000 0.423 98 M N 10.273 129.920 119.600 0.079 0.000 2.265 98 M HA 0.524 5.005 4.480 0.002 0.000 0.262 98 M C -2.958 173.264 176.300 -0.129 0.000 1.026 98 M CA -1.614 53.732 55.300 0.077 0.000 0.987 98 M CB 2.170 34.801 32.600 0.051 0.000 1.937 98 M HN 0.145 nan 8.290 nan 0.000 0.481 99 P HA 0.622 nan 4.420 nan 0.000 0.282 99 P C -1.099 176.005 177.300 -0.326 0.000 1.249 99 P CA -0.322 62.532 63.100 -0.410 0.000 0.806 99 P CB 0.900 32.096 31.700 -0.840 0.000 0.984 100 I N -0.212 120.212 120.570 -0.242 0.000 3.279 100 I HA 0.806 4.977 4.170 0.002 0.000 0.315 100 I C -0.941 175.094 176.117 -0.137 0.000 1.225 100 I CA -1.513 59.431 61.300 -0.594 0.000 0.947 100 I CB 2.327 40.063 38.000 -0.440 0.000 1.293 100 I HN 0.216 nan 8.210 nan 0.000 0.468 101 V N -0.336 119.529 119.914 -0.082 0.000 3.007 101 V HA 1.056 5.177 4.120 0.002 0.000 0.311 101 V C 0.093 176.307 176.094 0.200 0.000 1.120 101 V CA 0.357 62.749 62.300 0.153 0.000 0.980 101 V CB 0.675 32.616 31.823 0.198 0.000 1.033 101 V HN 2.030 nan 8.190 nan 0.000 0.429 102 G N 1.856 110.771 108.800 0.192 0.000 2.445 102 G HA2 -0.053 3.908 3.960 0.002 0.000 0.212 102 G HA3 -0.053 3.908 3.960 0.002 0.000 0.212 102 G C -0.630 174.339 174.900 0.115 0.000 1.217 102 G CA -0.111 45.061 45.100 0.119 0.000 1.002 102 G HN 1.178 nan 8.290 nan 0.000 0.574 103 Q N 1.668 121.468 119.800 0.000 0.000 2.349 103 Q HA 0.284 4.625 4.340 0.002 0.000 0.287 103 Q C -1.970 173.935 176.000 -0.158 0.000 1.044 103 Q CA -0.685 55.069 55.803 -0.081 0.000 0.918 103 Q CB 0.396 29.090 28.738 -0.075 0.000 1.242 103 Q HN 0.487 nan 8.270 nan 0.000 0.405 104 P HA 0.059 nan 4.420 nan 0.000 0.277 104 P C -0.595 176.528 177.300 -0.296 0.000 1.354 104 P CA -0.110 62.576 63.100 -0.689 0.000 0.891 104 P CB 0.174 31.139 31.700 -1.226 0.000 1.058 105 V N 1.289 121.104 119.914 -0.165 0.000 2.513 105 V HA 0.436 4.557 4.120 0.002 0.000 0.299 105 V C 0.497 176.585 176.094 -0.010 0.000 1.035 105 V CA -0.667 61.596 62.300 -0.060 0.000 0.889 105 V CB 1.638 33.439 31.823 -0.036 0.000 0.988 105 V HN 0.287 nan 8.190 nan 0.000 0.440 106 F N 2.022 121.906 119.950 -0.110 0.000 2.446 106 F HA 0.324 4.852 4.527 0.003 0.000 0.292 106 F C 1.254 177.001 175.800 -0.089 0.000 1.096 106 F CA 0.219 58.156 58.000 -0.104 0.000 1.438 106 F CB 0.114 39.036 39.000 -0.130 0.000 1.107 106 F HN 0.794 nan 8.300 nan 0.000 0.546 107 D N 1.523 121.916 120.400 -0.012 0.000 2.629 107 D HA -0.170 4.471 4.640 0.002 0.000 0.228 107 D C 1.284 177.472 176.300 -0.187 0.000 1.127 107 D CA 0.890 54.845 54.000 -0.075 0.000 0.855 107 D CB 0.544 41.331 40.800 -0.021 0.000 1.180 107 D HN 0.643 nan 8.370 nan 0.000 0.484 108 E N 2.105 122.186 120.200 -0.199 0.000 2.427 108 E HA -0.116 4.235 4.350 0.002 0.000 0.196 108 E C 0.873 177.395 176.600 -0.129 0.000 1.028 108 E CA 0.663 56.940 56.400 -0.205 0.000 0.864 108 E CB 0.089 29.666 29.700 -0.205 0.000 0.813 108 E HN 0.617 nan 8.360 nan 0.000 0.514 109 E N 0.983 121.127 120.200 -0.094 0.000 2.166 109 E HA 0.004 4.355 4.350 0.002 0.000 0.192 109 E C 1.762 178.334 176.600 -0.048 0.000 0.967 109 E CA 0.381 56.738 56.400 -0.070 0.000 0.840 109 E CB 0.235 29.901 29.700 -0.057 0.000 0.795 109 E HN 0.160 nan 8.360 nan 0.000 0.470 110 K N 0.995 121.372 120.400 -0.038 0.000 2.155 110 K HA -0.082 4.239 4.320 0.002 0.000 0.203 110 K C 2.189 178.800 176.600 0.018 0.000 1.052 110 K CA 0.949 57.229 56.287 -0.011 0.000 0.948 110 K CB -0.014 32.480 32.500 -0.010 0.000 0.728 110 K HN 0.031 nan 8.250 nan 0.000 0.448 111 R N 0.904 121.404 120.500 0.001 0.000 2.235 111 R HA 0.138 4.480 4.340 0.002 0.000 0.213 111 R C 0.514 176.902 176.300 0.145 0.000 1.059 111 R CA 0.427 56.564 56.100 0.062 0.000 0.997 111 R CB -0.210 30.067 30.300 -0.038 0.000 0.884 111 R HN -0.057 nan 8.270 nan 0.000 0.462 112 A N 1.489 124.329 122.820 0.034 0.000 2.483 112 A HA 0.243 4.565 4.320 0.002 0.000 0.238 112 A C -0.176 177.398 177.584 -0.016 0.000 1.070 112 A CA 0.156 52.190 52.037 -0.004 0.000 0.770 112 A CB 0.640 19.598 19.000 -0.069 0.000 1.008 112 A HN 0.395 nan 8.150 nan 0.000 0.497 113 S N 1.010 116.692 115.700 -0.029 0.000 2.521 113 S HA 0.509 4.980 4.470 0.002 0.000 0.295 113 S C -0.735 173.903 174.600 0.063 0.000 1.098 113 S CA -0.576 57.591 58.200 -0.056 0.000 0.999 113 S CB 0.283 63.417 63.200 -0.110 0.000 1.034 113 S HN 0.588 nan 8.310 nan 0.000 0.483 114 W N 4.090 125.367 121.300 -0.037 0.000 2.226 114 W HA 0.346 5.007 4.660 0.002 0.000 0.352 114 W C 0.211 176.812 176.519 0.137 0.000 1.277 114 W CA 0.727 58.085 57.345 0.022 0.000 1.305 114 W CB 0.328 29.764 29.460 -0.039 0.000 1.193 114 W HN 0.607 nan 8.180 nan 0.000 0.596 115 F N 0.330 120.402 119.950 0.203 0.000 2.773 115 F HA 0.827 5.356 4.527 0.003 0.000 0.314 115 F C -1.272 174.570 175.800 0.069 0.000 1.160 115 F CA -1.625 56.444 58.000 0.114 0.000 0.920 115 F CB 0.421 39.439 39.000 0.030 0.000 1.323 115 F HN 0.491 nan 8.300 nan 0.000 0.457 116 A N 0.289 122.956 122.820 -0.256 0.000 2.566 116 A HA 0.576 4.898 4.320 0.002 0.000 0.292 116 A C -0.421 177.004 177.584 -0.265 0.000 1.112 116 A CA -0.679 51.077 52.037 -0.468 0.000 0.707 116 A CB 0.774 19.705 19.000 -0.114 0.000 1.302 116 A HN 0.997 nan 8.150 nan 0.000 0.409 117 H N 0.243 119.259 119.070 -0.090 0.000 2.502 117 H HA 0.033 4.590 4.556 0.002 0.000 0.283 117 H C 0.895 176.294 175.328 0.118 0.000 1.015 117 H CA 1.353 57.449 56.048 0.079 0.000 1.298 117 H CB 0.312 30.101 29.762 0.045 0.000 1.411 117 H HN 0.630 nan 8.280 nan 0.000 0.556 118 K N 0.462 120.964 120.400 0.171 0.000 2.432 118 K HA 0.011 4.332 4.320 0.002 0.000 0.196 118 K C 1.649 178.316 176.600 0.112 0.000 1.038 118 K CA 0.548 56.912 56.287 0.129 0.000 0.986 118 K CB 0.359 32.914 32.500 0.092 0.000 0.782 118 K HN 0.140 nan 8.250 nan 0.000 0.485 119 G N 1.044 109.930 108.800 0.142 0.000 3.605 119 G HA2 -0.018 3.944 3.960 0.002 0.000 0.277 119 G HA3 -0.018 3.944 3.960 0.002 0.000 0.277 119 G C -0.497 174.512 174.900 0.182 0.000 1.093 119 G CA -0.195 45.004 45.100 0.166 0.000 0.821 119 G HN 0.147 nan 8.290 nan 0.000 0.532 120 E N 0.273 120.568 120.200 0.157 0.000 2.256 120 E HA 0.518 4.869 4.350 0.002 0.000 0.268 120 E C -1.661 174.935 176.600 -0.007 0.000 0.877 120 E CA -0.557 55.893 56.400 0.084 0.000 0.757 120 E CB 2.656 32.525 29.700 0.281 0.000 1.183 120 E HN -0.118 nan 8.360 nan 0.000 0.418 121 V N 2.946 122.733 119.914 -0.212 0.000 2.376 121 V HA 0.613 4.734 4.120 0.002 0.000 0.287 121 V C -0.546 175.371 176.094 -0.295 0.000 1.015 121 V CA -0.540 61.665 62.300 -0.158 0.000 0.834 121 V CB 1.235 33.032 31.823 -0.044 0.000 1.001 121 V HN 0.738 nan 8.190 nan 0.000 0.428 122 A N 3.979 126.735 122.820 -0.107 0.000 2.273 122 A HA 0.858 5.179 4.320 0.002 0.000 0.315 122 A C 0.164 177.667 177.584 -0.135 0.000 1.256 122 A CA -0.264 51.750 52.037 -0.039 0.000 0.851 122 A CB 1.033 20.108 19.000 0.124 0.000 1.172 122 A HN 0.873 nan 8.150 nan 0.000 0.508 123 T N -0.470 113.928 114.554 -0.261 0.000 2.926 123 T HA 0.700 5.052 4.350 0.002 0.000 0.289 123 T C -2.473 171.912 174.700 -0.524 0.000 1.054 123 T CA -1.872 59.940 62.100 -0.479 0.000 1.015 123 T CB 1.708 70.031 68.868 -0.909 0.000 1.167 123 T HN 0.127 nan 8.240 nan 0.000 0.526 124 P HA 0.061 nan 4.420 nan 0.000 0.230 124 P C 0.506 177.714 177.300 -0.153 0.000 1.158 124 P CA 0.685 63.418 63.100 -0.612 0.000 0.769 124 P CB -0.395 30.510 31.700 -1.324 0.000 0.807 125 Y N -4.265 116.040 120.300 0.008 0.000 2.500 125 Y HA 0.507 5.058 4.550 0.002 0.000 0.246 125 Y C 0.041 176.052 175.900 0.185 0.000 1.146 125 Y CA -1.278 56.932 58.100 0.183 0.000 1.230 125 Y CB -0.018 38.580 38.460 0.230 0.000 1.214 125 Y HN -0.191 nan 8.280 nan 0.000 0.526 126 Y N 0.514 120.584 120.300 -0.383 0.000 2.424 126 Y HA 0.478 5.029 4.550 0.002 0.000 0.323 126 Y C -2.505 173.286 175.900 -0.182 0.000 1.174 126 Y CA -2.292 55.661 58.100 -0.246 0.000 1.060 126 Y CB 0.978 39.282 38.460 -0.261 0.000 1.314 126 Y HN 0.067 nan 8.280 nan 0.000 0.439 127 Y N 6.263 126.069 120.300 -0.823 0.000 2.391 127 Y HA 0.647 5.199 4.550 0.002 0.000 0.341 127 Y C -1.441 173.973 175.900 -0.810 0.000 0.965 127 Y CA -0.849 56.854 58.100 -0.662 0.000 1.067 127 Y CB 1.506 39.784 38.460 -0.303 0.000 1.199 127 Y HN 0.694 nan 8.280 nan 0.000 0.450 128 K N 5.504 125.176 120.400 -1.214 0.000 2.427 128 K HA 0.785 5.107 4.320 0.002 0.000 0.252 128 K C -2.361 173.883 176.600 -0.594 0.000 0.931 128 K CA -0.849 55.004 56.287 -0.724 0.000 0.793 128 K CB 2.221 34.475 32.500 -0.410 0.000 1.211 128 K HN 0.569 nan 8.250 nan 0.000 0.426 129 V N 4.204 124.014 119.914 -0.175 0.000 3.012 129 V HA 0.434 4.555 4.120 0.002 0.000 0.307 129 V C -2.114 174.100 176.094 0.199 0.000 1.166 129 V CA -0.719 61.603 62.300 0.037 0.000 0.974 129 V CB 1.888 33.797 31.823 0.143 0.000 1.040 129 V HN 0.804 nan 8.190 nan 0.000 0.428 130 Y N 5.835 126.209 120.300 0.123 0.000 2.353 130 Y HA 0.651 5.202 4.550 0.002 0.000 0.340 130 Y C -0.441 175.573 175.900 0.190 0.000 0.972 130 Y CA -0.776 57.403 58.100 0.132 0.000 1.157 130 Y CB 1.333 39.856 38.460 0.105 0.000 1.157 130 Y HN 0.595 nan 8.280 nan 0.000 0.495 131 L N 7.945 128.992 121.223 -0.293 0.000 2.328 131 L HA 0.336 4.678 4.340 0.002 0.000 0.280 131 L C 1.438 178.005 176.870 -0.505 0.000 1.111 131 L CA -0.032 54.688 54.840 -0.199 0.000 0.909 131 L CB 0.445 42.523 42.059 0.032 0.000 1.277 131 L HN 0.959 nan 8.230 nan 0.000 0.433 132 A N 2.552 125.146 122.820 -0.376 0.000 1.915 132 A HA -0.242 4.080 4.320 0.002 0.000 0.220 132 A C 2.031 179.502 177.584 -0.188 0.000 1.198 132 A CA 1.941 53.819 52.037 -0.265 0.000 0.647 132 A CB -0.244 18.792 19.000 0.059 0.000 0.825 132 A HN 0.778 nan 8.150 nan 0.000 0.456 133 E N -1.929 118.163 120.200 -0.180 0.000 2.481 133 E HA -0.049 4.302 4.350 0.002 0.000 0.195 133 E C 0.954 177.398 176.600 -0.261 0.000 1.047 133 E CA 0.380 56.653 56.400 -0.211 0.000 0.867 133 E CB 0.033 29.585 29.700 -0.247 0.000 0.858 133 E HN 0.730 nan 8.360 nan 0.000 0.513 134 H N -0.448 118.588 119.070 -0.057 0.000 2.827 134 H HA 0.034 4.591 4.556 0.002 0.000 0.269 134 H C 0.134 175.438 175.328 -0.040 0.000 1.031 134 H CA 0.288 56.319 56.048 -0.029 0.000 1.202 134 H CB 0.523 30.264 29.762 -0.036 0.000 1.511 134 H HN 0.076 nan 8.280 nan 0.000 0.517 135 D N 0.861 121.243 120.400 -0.031 0.000 2.701 135 D HA -0.195 4.446 4.640 0.002 0.000 0.235 135 D C -0.615 175.727 176.300 0.070 0.000 1.155 135 D CA 0.343 54.361 54.000 0.030 0.000 0.649 135 D CB -1.612 39.291 40.800 0.170 0.000 1.050 135 D HN 0.400 nan 8.370 nan 0.000 0.425 136 I N -0.282 120.243 120.570 -0.077 0.000 2.474 136 I HA 0.371 4.542 4.170 0.002 0.000 0.294 136 I C 0.304 176.429 176.117 0.013 0.000 1.005 136 I CA -1.232 60.028 61.300 -0.067 0.000 1.113 136 I CB 2.101 39.974 38.000 -0.212 0.000 1.289 136 I HN -0.233 nan 8.210 nan 0.000 0.436 137 V N 4.556 124.529 119.914 0.098 0.000 2.427 137 V HA 0.389 4.511 4.120 0.002 0.000 0.286 137 V C 0.054 176.193 176.094 0.075 0.000 1.034 137 V CA -0.314 62.077 62.300 0.152 0.000 0.893 137 V CB 1.561 33.486 31.823 0.171 0.000 0.982 137 V HN 0.744 nan 8.190 nan 0.000 0.452 138 T N 5.188 119.781 114.554 0.065 0.000 2.823 138 T HA 0.601 4.952 4.350 0.002 0.000 0.279 138 T C -0.540 174.092 174.700 -0.114 0.000 0.998 138 T CA -0.627 61.456 62.100 -0.029 0.000 0.994 138 T CB 1.282 70.017 68.868 -0.222 0.000 0.960 138 T HN 0.765 nan 8.240 nan 0.000 0.448 139 E N 2.667 122.752 120.200 -0.192 0.000 2.343 139 E HA 0.734 5.085 4.350 0.002 0.000 0.270 139 E C -0.676 175.683 176.600 -0.403 0.000 0.895 139 E CA -1.033 55.200 56.400 -0.278 0.000 0.767 139 E CB 2.437 32.068 29.700 -0.114 0.000 1.248 139 E HN 0.671 nan 8.360 nan 0.000 0.440 140 M N -0.762 118.539 119.600 -0.498 0.000 2.413 140 M HA 0.563 5.045 4.480 0.002 0.000 0.287 140 M C -1.423 174.629 176.300 -0.413 0.000 1.186 140 M CA -0.819 54.055 55.300 -0.709 0.000 0.927 140 M CB 2.270 34.091 32.600 -1.298 0.000 1.715 140 M HN 0.410 nan 8.290 nan 0.000 0.478 141 T N 0.335 114.684 114.554 -0.342 0.000 2.949 141 T HA 0.751 5.102 4.350 0.002 0.000 0.300 141 T C -3.154 171.436 174.700 -0.184 0.000 0.988 141 T CA -1.335 60.694 62.100 -0.119 0.000 0.993 141 T CB 1.823 70.724 68.868 0.055 0.000 0.984 141 T HN 0.611 nan 8.240 nan 0.000 0.442 142 P HA 0.446 nan 4.420 nan 0.000 0.285 142 P C -0.015 177.307 177.300 0.035 0.000 1.269 142 P CA -0.322 62.728 63.100 -0.083 0.000 0.844 142 P CB 1.766 33.488 31.700 0.037 0.000 1.094 143 T N -2.386 112.200 114.554 0.053 0.000 2.855 143 T HA 0.296 4.647 4.350 0.002 0.000 0.275 143 T C 1.261 176.033 174.700 0.121 0.000 1.022 143 T CA -0.332 61.813 62.100 0.075 0.000 0.977 143 T CB 0.137 69.040 68.868 0.058 0.000 1.559 143 T HN 0.310 nan 8.240 nan 0.000 0.600 144 E N 0.191 120.452 120.200 0.102 0.000 2.110 144 E HA -0.071 4.281 4.350 0.002 0.000 0.193 144 E C 2.094 178.791 176.600 0.161 0.000 0.988 144 E CA 1.039 57.513 56.400 0.124 0.000 0.804 144 E CB 0.001 29.747 29.700 0.076 0.000 0.745 144 E HN 0.447 nan 8.360 nan 0.000 0.458 145 R N -1.340 119.248 120.500 0.147 0.000 2.521 145 R HA 0.342 4.683 4.340 0.002 0.000 0.289 145 R C -0.107 176.327 176.300 0.222 0.000 0.936 145 R CA -0.001 56.200 56.100 0.167 0.000 1.089 145 R CB 1.538 31.900 30.300 0.102 0.000 1.348 145 R HN -0.049 nan 8.270 nan 0.000 0.536 146 A N 0.466 123.402 122.820 0.192 0.000 2.437 146 A HA 0.814 5.135 4.320 0.002 0.000 0.292 146 A C -1.380 176.235 177.584 0.053 0.000 1.173 146 A CA -0.644 51.491 52.037 0.163 0.000 0.785 146 A CB 2.149 21.208 19.000 0.098 0.000 1.351 146 A HN -0.057 nan 8.150 nan 0.000 0.431 147 V N -0.032 119.822 119.914 -0.100 0.000 3.000 147 V HA 0.602 4.724 4.120 0.002 0.000 0.300 147 V C -2.099 173.808 176.094 -0.312 0.000 1.251 147 V CA -0.579 61.492 62.300 -0.381 0.000 0.972 147 V CB 1.900 33.087 31.823 -1.060 0.000 1.065 147 V HN 1.167 nan 8.190 nan 0.000 0.431 148 L N 6.016 127.046 121.223 -0.321 0.000 2.282 148 L HA 0.694 5.035 4.340 0.002 0.000 0.288 148 L C -1.028 175.595 176.870 -0.412 0.000 1.033 148 L CA 0.234 54.930 54.840 -0.240 0.000 0.807 148 L CB 0.964 42.934 42.059 -0.147 0.000 1.209 148 L HN 0.594 nan 8.230 nan 0.000 0.423 149 F N 4.398 124.120 119.950 -0.380 0.000 2.425 149 F HA 0.625 5.153 4.527 0.002 0.000 0.331 149 F C 0.337 175.808 175.800 -0.548 0.000 1.085 149 F CA -0.351 57.317 58.000 -0.553 0.000 1.028 149 F CB 1.384 39.937 39.000 -0.746 0.000 1.177 149 F HN 0.408 nan 8.300 nan 0.000 0.487 150 R N 3.330 123.590 120.500 -0.399 0.000 2.502 150 R HA 0.503 4.844 4.340 0.002 0.000 0.300 150 R C -2.085 173.987 176.300 -0.381 0.000 0.984 150 R CA -0.490 55.427 56.100 -0.306 0.000 0.882 150 R CB 0.849 31.084 30.300 -0.109 0.000 1.180 150 R HN 0.557 nan 8.270 nan 0.000 0.444 151 F N 2.019 122.030 119.950 0.101 0.000 2.427 151 F HA 0.350 4.878 4.527 0.002 0.000 0.346 151 F C 0.308 176.104 175.800 -0.008 0.000 1.120 151 F CA -0.856 57.123 58.000 -0.035 0.000 1.033 151 F CB 2.427 41.373 39.000 -0.091 0.000 1.126 151 F HN 0.271 nan 8.300 nan 0.000 0.462 152 T N 4.417 119.018 114.554 0.078 0.000 2.753 152 T HA 0.407 4.758 4.350 0.002 0.000 0.297 152 T C -0.540 174.174 174.700 0.023 0.000 0.981 152 T CA -0.309 61.854 62.100 0.105 0.000 0.956 152 T CB -0.071 68.856 68.868 0.099 0.000 0.936 152 T HN 0.193 nan 8.240 nan 0.000 0.463 153 F N 5.322 125.355 119.950 0.139 0.000 2.399 153 F HA 0.473 5.001 4.527 0.003 0.000 0.328 153 F C -1.593 174.265 175.800 0.095 0.000 1.084 153 F CA -2.201 55.867 58.000 0.114 0.000 1.053 153 F CB 1.280 40.335 39.000 0.092 0.000 1.209 153 F HN 0.330 nan 8.300 nan 0.000 0.502 154 P HA 0.078 nan 4.420 nan 0.000 0.282 154 P C -1.100 176.302 177.300 0.169 0.000 1.287 154 P CA -0.582 62.636 63.100 0.196 0.000 0.792 154 P CB 0.667 32.473 31.700 0.176 0.000 1.163 155 E N 0.933 121.201 120.200 0.114 0.000 2.415 155 E HA 0.084 4.435 4.350 0.002 0.000 0.263 155 E C -0.404 176.242 176.600 0.077 0.000 0.995 155 E CA 0.178 56.624 56.400 0.077 0.000 0.915 155 E CB -0.056 29.679 29.700 0.059 0.000 0.951 155 E HN 0.317 nan 8.360 nan 0.000 0.449 156 N N 3.316 122.044 118.700 0.047 0.000 3.217 156 N HA -0.009 4.732 4.740 0.002 0.000 0.236 156 N C -0.949 174.546 175.510 -0.025 0.000 1.136 156 N CA -0.452 52.624 53.050 0.044 0.000 0.997 156 N CB 1.288 39.822 38.487 0.079 0.000 1.658 156 N HN 0.389 nan 8.380 nan 0.000 0.527 157 D N -0.084 120.306 120.400 -0.016 0.000 2.194 157 D HA 0.007 4.649 4.640 0.002 0.000 0.204 157 D C -0.162 175.845 176.300 -0.488 0.000 0.964 157 D CA 1.381 55.258 54.000 -0.204 0.000 0.846 157 D CB 0.115 40.812 40.800 -0.173 0.000 0.962 157 D HN 0.400 nan 8.370 nan 0.000 0.490 158 H N 0.075 119.032 119.070 -0.189 0.000 2.530 158 H HA 0.415 4.972 4.556 0.002 0.000 0.246 158 H C -0.490 174.478 175.328 -0.600 0.000 1.346 158 H CA -0.242 55.551 56.048 -0.424 0.000 1.424 158 H CB 0.448 30.169 29.762 -0.068 0.000 1.445 158 H HN -0.188 nan 8.280 nan 0.000 0.511 159 S N 2.583 117.842 115.700 -0.735 0.000 2.437 159 S HA 0.485 4.956 4.470 0.002 0.000 0.305 159 S C -0.716 173.272 174.600 -1.020 0.000 1.109 159 S CA -0.528 57.320 58.200 -0.587 0.000 1.099 159 S CB 0.774 63.673 63.200 -0.502 0.000 1.004 159 S HN 0.372 nan 8.310 nan 0.000 0.475 160 Y N 0.307 120.465 120.300 -0.236 0.000 2.634 160 Y HA 0.689 5.240 4.550 0.002 0.000 0.340 160 Y C -0.346 175.422 175.900 -0.219 0.000 1.058 160 Y CA -1.212 56.663 58.100 -0.375 0.000 1.081 160 Y CB 1.260 39.515 38.460 -0.342 0.000 1.295 160 Y HN 0.287 nan 8.280 nan 0.000 0.487 161 V N 2.247 122.102 119.914 -0.099 0.000 2.483 161 V HA 0.413 4.535 4.120 0.002 0.000 0.297 161 V C -0.785 175.290 176.094 -0.032 0.000 1.027 161 V CA -0.907 61.343 62.300 -0.083 0.000 0.855 161 V CB 1.554 33.350 31.823 -0.046 0.000 0.995 161 V HN 0.535 nan 8.190 nan 0.000 0.424 162 V N 5.585 125.493 119.914 -0.010 0.000 2.509 162 V HA 0.479 4.600 4.120 0.002 0.000 0.284 162 V C -0.097 176.071 176.094 0.123 0.000 1.047 162 V CA -0.413 61.919 62.300 0.052 0.000 0.952 162 V CB 1.783 33.603 31.823 -0.005 0.000 0.988 162 V HN 0.610 nan 8.190 nan 0.000 0.469 163 V N 3.669 123.708 119.914 0.208 0.000 2.444 163 V HA 0.437 4.558 4.120 0.002 0.000 0.294 163 V C -0.641 175.674 176.094 0.367 0.000 1.022 163 V CA -0.541 61.919 62.300 0.266 0.000 0.850 163 V CB 1.815 33.802 31.823 0.273 0.000 0.992 163 V HN 0.874 nan 8.190 nan 0.000 0.426 164 D N 3.619 124.251 120.400 0.386 0.000 2.381 164 D HA 0.581 5.222 4.640 0.002 0.000 0.235 164 D C 0.526 177.202 176.300 0.627 0.000 1.068 164 D CA -0.306 54.016 54.000 0.536 0.000 0.832 164 D CB 2.307 43.319 40.800 0.354 0.000 1.101 164 D HN 0.567 nan 8.370 nan 0.000 0.515 165 A N 3.784 126.987 122.820 0.637 0.000 2.275 165 A HA 0.294 4.615 4.320 0.002 0.000 0.212 165 A C 0.340 178.314 177.584 0.650 0.000 1.201 165 A CA 0.018 52.404 52.037 0.582 0.000 0.843 165 A CB -0.401 18.894 19.000 0.491 0.000 0.873 165 A HN 0.562 nan 8.150 nan 0.000 0.492 166 F N -0.728 119.419 119.950 0.329 0.000 2.183 166 F HA -0.170 4.358 4.527 0.002 0.000 0.318 166 F C 0.421 176.099 175.800 -0.203 0.000 0.517 166 F CA 0.437 58.437 58.000 -0.001 0.000 0.912 166 F CB -0.936 38.099 39.000 0.059 0.000 4.135 166 F HN 0.551 nan 8.300 nan 0.000 0.137 167 D N 0.313 120.573 120.400 -0.234 0.000 2.560 167 D HA 0.429 5.070 4.640 0.002 0.000 0.277 167 D C -0.009 176.333 176.300 0.070 0.000 1.194 167 D CA 0.113 54.016 54.000 -0.162 0.000 1.092 167 D CB 0.429 41.065 40.800 -0.273 0.000 1.169 167 D HN 0.489 nan 8.370 nan 0.000 0.607 168 K N -1.296 119.151 120.400 0.078 0.000 3.160 168 K HA -0.040 4.281 4.320 0.002 0.000 0.280 168 K C 0.451 177.142 176.600 0.152 0.000 1.154 168 K CA 1.049 57.404 56.287 0.114 0.000 0.822 168 K CB -2.462 30.111 32.500 0.122 0.000 1.239 168 K HN 1.431 nan 8.250 nan 0.000 0.489 169 G N 0.022 108.923 108.800 0.167 0.000 3.035 169 G HA2 0.016 3.977 3.960 0.002 0.000 0.674 169 G HA3 0.016 3.977 3.960 0.002 0.000 0.674 169 G C -0.187 174.878 174.900 0.274 0.000 1.159 169 G CA 0.060 45.281 45.100 0.201 0.000 1.098 169 G HN 0.937 nan 8.290 nan 0.000 0.473 170 S N 1.204 117.052 115.700 0.247 0.000 2.806 170 S HA 0.925 5.397 4.470 0.002 0.000 0.306 170 S C -0.794 173.799 174.600 -0.011 0.000 1.167 170 S CA -0.764 57.570 58.200 0.222 0.000 0.847 170 S CB 2.825 66.186 63.200 0.269 0.000 1.216 170 S HN 2.055 nan 8.310 nan 0.000 0.532 171 Y N -0.419 119.582 120.300 -0.498 0.000 2.571 171 Y HA 0.812 5.364 4.550 0.002 0.000 0.341 171 Y C -2.079 173.611 175.900 -0.349 0.000 1.076 171 Y CA -1.122 56.628 58.100 -0.584 0.000 1.029 171 Y CB 1.517 39.252 38.460 -1.209 0.000 1.308 171 Y HN 0.932 nan 8.280 nan 0.000 0.461 172 I N 4.490 124.495 120.570 -0.941 0.000 2.680 172 I HA 0.450 4.621 4.170 0.002 0.000 0.291 172 I C -1.957 173.651 176.117 -0.849 0.000 1.244 172 I CA -0.427 60.460 61.300 -0.689 0.000 1.042 172 I CB 1.968 39.827 38.000 -0.234 0.000 1.277 172 I HN 0.655 nan 8.210 nan 0.000 0.423 173 K N 7.962 127.984 120.400 -0.630 0.000 2.541 173 K HA 0.635 4.957 4.320 0.002 0.000 0.250 173 K C -1.638 174.854 176.600 -0.180 0.000 0.950 173 K CA -0.501 55.551 56.287 -0.390 0.000 0.805 173 K CB 1.251 33.549 32.500 -0.337 0.000 1.166 173 K HN 0.588 nan 8.250 nan 0.000 0.430 174 I N 5.894 126.390 120.570 -0.124 0.000 2.395 174 I HA 0.246 4.417 4.170 0.002 0.000 0.289 174 I C -0.008 176.125 176.117 0.026 0.000 1.023 174 I CA -0.541 60.736 61.300 -0.038 0.000 1.350 174 I CB 0.935 38.880 38.000 -0.091 0.000 1.409 174 I HN 0.553 nan 8.210 nan 0.000 0.507 175 I N 8.494 129.140 120.570 0.127 0.000 2.750 175 I HA 0.200 4.371 4.170 0.002 0.000 0.279 175 I C -1.578 174.652 176.117 0.188 0.000 1.206 175 I CA -1.418 59.951 61.300 0.115 0.000 1.101 175 I CB 0.960 39.002 38.000 0.071 0.000 1.431 175 I HN 0.378 nan 8.210 nan 0.000 0.551 176 P HA -0.233 nan 4.420 nan 0.000 0.216 176 P C 1.112 178.433 177.300 0.034 0.000 1.150 176 P CA 1.520 64.741 63.100 0.201 0.000 0.843 176 P CB 0.068 31.873 31.700 0.175 0.000 0.787 177 E N 0.849 121.069 120.200 0.033 0.000 2.516 177 E HA -0.149 4.203 4.350 0.002 0.000 0.199 177 E C 0.353 176.950 176.600 -0.005 0.000 1.069 177 E CA 0.791 57.192 56.400 0.002 0.000 0.876 177 E CB -0.542 29.161 29.700 0.006 0.000 0.843 177 E HN 0.441 nan 8.360 nan 0.000 0.530 178 E N 0.827 121.032 120.200 0.008 0.000 2.846 178 E HA 0.128 4.479 4.350 0.002 0.000 0.211 178 E C -0.593 176.012 176.600 0.009 0.000 0.975 178 E CA -0.467 55.940 56.400 0.012 0.000 1.211 178 E CB 0.165 29.888 29.700 0.038 0.000 1.052 178 E HN 0.053 nan 8.360 nan 0.000 0.487 179 N N 2.274 120.911 118.700 -0.106 0.000 2.707 179 N HA -0.229 4.512 4.740 0.002 0.000 0.253 179 N C -0.517 175.161 175.510 0.280 0.000 0.998 179 N CA 1.247 54.117 53.050 -0.300 0.000 0.751 179 N CB -0.899 37.434 38.487 -0.256 0.000 0.920 179 N HN 0.376 nan 8.380 nan 0.000 0.539 180 K N 0.393 121.043 120.400 0.416 0.000 2.375 180 K HA 0.656 4.977 4.320 0.002 0.000 0.249 180 K C -0.732 176.117 176.600 0.414 0.000 0.942 180 K CA -0.652 55.872 56.287 0.394 0.000 0.806 180 K CB 1.522 34.139 32.500 0.195 0.000 1.227 180 K HN 0.080 nan 8.250 nan 0.000 0.430 181 I N 5.614 126.394 120.570 0.349 0.000 2.545 181 I HA 0.429 4.600 4.170 0.002 0.000 0.292 181 I C -0.182 176.031 176.117 0.160 0.000 1.040 181 I CA -1.087 60.346 61.300 0.221 0.000 1.068 181 I CB 1.810 39.973 38.000 0.273 0.000 1.251 181 I HN 0.633 nan 8.210 nan 0.000 0.424 182 I N 1.677 122.258 120.570 0.017 0.000 3.108 182 I HA 1.075 5.247 4.170 0.002 0.000 0.312 182 I C -0.177 175.785 176.117 -0.258 0.000 1.095 182 I CA -0.534 60.730 61.300 -0.060 0.000 1.000 182 I CB 2.448 40.330 38.000 -0.197 0.000 1.229 182 I HN 0.636 nan 8.210 nan 0.000 0.454 183 G N 1.294 109.799 108.800 -0.492 0.000 2.349 183 G HA2 0.527 4.488 3.960 0.002 0.000 0.294 183 G HA3 0.527 4.488 3.960 0.002 0.000 0.294 183 G C -2.208 172.236 174.900 -0.760 0.000 1.380 183 G CA -0.487 44.205 45.100 -0.679 0.000 0.811 183 G HN 1.125 nan 8.290 nan 0.000 0.519 184 Y N -1.715 118.397 120.300 -0.313 0.000 2.562 184 Y HA 0.869 5.420 4.550 0.002 0.000 0.345 184 Y C -0.407 175.495 175.900 0.003 0.000 1.045 184 Y CA -1.384 56.509 58.100 -0.345 0.000 1.028 184 Y CB 1.674 39.870 38.460 -0.441 0.000 1.297 184 Y HN 0.771 nan 8.280 nan 0.000 0.463 185 T N 0.367 115.112 114.554 0.319 0.000 2.887 185 T HA 0.536 4.888 4.350 0.002 0.000 0.288 185 T C 0.344 175.143 174.700 0.165 0.000 1.021 185 T CA 0.184 62.481 62.100 0.328 0.000 1.000 185 T CB 1.227 70.300 68.868 0.342 0.000 1.034 185 T HN 1.137 nan 8.240 nan 0.000 0.467 186 T N 0.940 115.647 114.554 0.255 0.000 2.969 186 T HA 0.313 4.664 4.350 0.002 0.000 0.258 186 T C 0.829 175.793 174.700 0.440 0.000 0.962 186 T CA -0.406 61.874 62.100 0.300 0.000 0.903 186 T CB -0.133 68.868 68.868 0.222 0.000 1.177 186 T HN 0.608 nan 8.240 nan 0.000 0.511 187 R N 3.397 124.100 120.500 0.338 0.000 2.485 187 R HA 0.057 4.398 4.340 0.002 0.000 0.304 187 R C -0.309 176.168 176.300 0.295 0.000 0.934 187 R CA 0.878 57.151 56.100 0.288 0.000 1.102 187 R CB -0.029 30.452 30.300 0.301 0.000 0.906 187 R HN 0.779 nan 8.270 nan 0.000 0.407 188 N N 1.203 120.019 118.700 0.194 0.000 2.825 188 N HA 0.079 4.820 4.740 0.002 0.000 0.253 188 N C -1.248 174.285 175.510 0.039 0.000 1.426 188 N CA -0.897 52.217 53.050 0.106 0.000 0.851 188 N CB 1.760 40.194 38.487 -0.089 0.000 1.470 188 N HN 0.274 nan 8.380 nan 0.000 0.517 189 S N -0.568 115.130 115.700 -0.003 0.000 2.561 189 S HA 0.490 4.961 4.470 0.002 0.000 0.245 189 S C 0.569 175.127 174.600 -0.070 0.000 1.001 189 S CA 0.172 58.362 58.200 -0.016 0.000 1.002 189 S CB -0.584 62.616 63.200 -0.000 0.000 0.805 189 S HN 1.087 nan 8.310 nan 0.000 0.458 190 G N 0.280 109.013 108.800 -0.111 0.000 2.661 190 G HA2 0.343 4.304 3.960 0.002 0.000 0.685 190 G HA3 0.343 4.304 3.960 0.002 0.000 0.685 190 G C 0.396 175.158 174.900 -0.230 0.000 1.298 190 G CA -0.425 44.595 45.100 -0.133 0.000 0.855 190 G HN 1.186 nan 8.290 nan 0.000 0.560 191 G N -2.626 106.047 108.800 -0.211 0.000 2.137 191 G HA2 0.274 4.235 3.960 0.002 0.000 0.237 191 G HA3 0.274 4.235 3.960 0.002 0.000 0.237 191 G C 0.850 175.517 174.900 -0.388 0.000 1.002 191 G CA 1.426 46.356 45.100 -0.284 0.000 0.702 191 G HN 2.493 nan 8.290 nan 0.000 0.515 192 V N -3.087 116.640 119.914 -0.312 0.000 2.823 192 V HA 0.925 5.046 4.120 0.002 0.000 0.312 192 V C -1.890 174.154 176.094 -0.082 0.000 1.072 192 V CA -2.645 59.471 62.300 -0.306 0.000 0.937 192 V CB 1.871 33.381 31.823 -0.522 0.000 1.013 192 V HN 0.059 nan 8.190 nan 0.000 0.430 193 P HA 0.310 nan 4.420 nan 0.000 0.272 193 P C 0.703 178.095 177.300 0.155 0.000 1.240 193 P CA -0.306 62.848 63.100 0.089 0.000 0.791 193 P CB 0.568 32.330 31.700 0.104 0.000 0.978 194 E N 0.963 121.233 120.200 0.116 0.000 2.153 194 E HA -0.174 4.177 4.350 0.002 0.000 0.194 194 E C 0.912 177.589 176.600 0.128 0.000 0.988 194 E CA 1.058 57.522 56.400 0.107 0.000 0.811 194 E CB -0.394 29.351 29.700 0.074 0.000 0.746 194 E HN 0.499 nan 8.360 nan 0.000 0.466 195 N N 0.984 119.779 118.700 0.159 0.000 2.370 195 N HA -0.099 4.642 4.740 0.002 0.000 0.198 195 N C 0.002 175.593 175.510 0.135 0.000 1.156 195 N CA -0.241 52.889 53.050 0.135 0.000 0.839 195 N CB -0.642 37.935 38.487 0.150 0.000 0.989 195 N HN 0.002 nan 8.380 nan 0.000 0.468 196 F N 2.364 122.357 119.950 0.071 0.000 2.590 196 F HA 0.186 4.715 4.527 0.002 0.000 0.389 196 F C -0.066 175.621 175.800 -0.188 0.000 1.049 196 F CA 0.082 58.082 58.000 -0.001 0.000 1.199 196 F CB 0.294 39.326 39.000 0.053 0.000 1.058 196 F HN -0.058 nan 8.300 nan 0.000 0.556 197 K N 5.238 124.891 120.400 -1.245 0.000 2.523 197 K HA 0.175 4.496 4.320 0.002 0.000 0.257 197 K C -1.304 174.471 176.600 -1.374 0.000 0.932 197 K CA -1.011 54.440 56.287 -1.394 0.000 0.812 197 K CB 1.847 33.446 32.500 -1.502 0.000 1.326 197 K HN 0.618 nan 8.250 nan 0.000 0.433 198 N N 2.837 120.930 118.700 -1.010 0.000 2.457 198 N HA 0.198 4.940 4.740 0.002 0.000 0.250 198 N C -1.312 173.845 175.510 -0.590 0.000 0.982 198 N CA -0.319 52.317 53.050 -0.690 0.000 0.941 198 N CB 0.554 38.865 38.487 -0.294 0.000 1.120 198 N HN 0.421 nan 8.380 nan 0.000 0.505 199 Y N 4.203 124.226 120.300 -0.461 0.000 2.350 199 Y HA 0.277 4.828 4.550 0.002 0.000 0.340 199 Y C 0.019 175.731 175.900 -0.313 0.000 1.006 199 Y CA -0.772 56.955 58.100 -0.622 0.000 1.166 199 Y CB 0.336 38.213 38.460 -0.971 0.000 1.168 199 Y HN 0.317 nan 8.280 nan 0.000 0.502 200 F N 1.648 121.561 119.950 -0.062 0.000 2.563 200 F HA 0.896 5.424 4.527 0.002 0.000 0.316 200 F C -1.373 174.516 175.800 0.148 0.000 1.076 200 F CA -2.068 55.906 58.000 -0.044 0.000 0.921 200 F CB 1.023 39.727 39.000 -0.493 0.000 1.209 200 F HN 0.185 nan 8.300 nan 0.000 0.462 201 I N 3.406 124.208 120.570 0.386 0.000 2.569 201 I HA 0.545 4.717 4.170 0.002 0.000 0.296 201 I C -0.880 175.406 176.117 0.282 0.000 1.028 201 I CA -0.849 60.634 61.300 0.305 0.000 1.082 201 I CB 2.382 40.520 38.000 0.229 0.000 1.264 201 I HN 0.586 nan 8.210 nan 0.000 0.429 202 I N 4.590 125.293 120.570 0.221 0.000 2.500 202 I HA 0.316 4.487 4.170 0.002 0.000 0.286 202 I C -0.911 175.232 176.117 0.042 0.000 1.063 202 I CA -0.476 60.886 61.300 0.104 0.000 1.062 202 I CB 1.835 39.905 38.000 0.117 0.000 1.223 202 I HN 0.552 nan 8.210 nan 0.000 0.435 203 E N 5.879 126.055 120.200 -0.039 0.000 2.151 203 E HA 0.522 4.873 4.350 0.002 0.000 0.275 203 E C -1.300 175.247 176.600 -0.088 0.000 0.936 203 E CA -0.596 55.817 56.400 0.021 0.000 0.777 203 E CB 2.060 31.791 29.700 0.053 0.000 1.108 203 E HN 0.269 nan 8.360 nan 0.000 0.401 204 F N 1.585 121.666 119.950 0.219 0.000 2.403 204 F HA 0.128 4.656 4.527 0.002 0.000 0.326 204 F C 1.370 177.226 175.800 0.093 0.000 1.081 204 F CA -0.656 57.475 58.000 0.219 0.000 1.041 204 F CB 0.960 40.184 39.000 0.374 0.000 1.234 204 F HN 0.468 nan 8.300 nan 0.000 0.503 205 D N 0.046 120.606 120.400 0.266 0.000 2.342 205 D HA 0.047 4.688 4.640 0.002 0.000 0.221 205 D C -0.140 176.186 176.300 0.044 0.000 1.101 205 D CA 0.007 54.074 54.000 0.112 0.000 0.837 205 D CB 0.014 40.859 40.800 0.073 0.000 0.938 205 D HN 0.406 nan 8.370 nan 0.000 0.508 206 K N 0.632 121.060 120.400 0.048 0.000 2.443 206 K HA 0.462 4.783 4.320 0.002 0.000 0.252 206 K C -3.015 173.516 176.600 -0.114 0.000 0.933 206 K CA -2.066 54.157 56.287 -0.107 0.000 0.792 206 K CB 2.179 34.472 32.500 -0.345 0.000 1.185 206 K HN -0.259 nan 8.250 nan 0.000 0.425 207 P HA 0.074 nan 4.420 nan 0.000 0.269 207 P C -0.957 176.351 177.300 0.013 0.000 1.209 207 P CA -0.096 62.877 63.100 -0.212 0.000 0.776 207 P CB 0.238 31.871 31.700 -0.112 0.000 0.876 208 F N 0.116 120.151 119.950 0.141 0.000 2.412 208 F HA 0.230 4.758 4.527 0.002 0.000 0.348 208 F C 1.814 177.655 175.800 0.069 0.000 1.102 208 F CA 0.010 58.065 58.000 0.091 0.000 1.196 208 F CB -0.176 38.816 39.000 -0.014 0.000 1.144 208 F HN 0.186 nan 8.300 nan 0.000 0.541 209 T N 1.647 116.350 114.554 0.249 0.000 3.023 209 T HA 0.080 4.431 4.350 0.002 0.000 0.253 209 T C -1.194 173.606 174.700 0.167 0.000 1.038 209 T CA 0.299 62.492 62.100 0.155 0.000 0.962 209 T CB -0.367 68.571 68.868 0.117 0.000 1.018 209 T HN 0.466 nan 8.240 nan 0.000 0.521 210 Y N 2.246 122.551 120.300 0.009 0.000 2.479 210 Y HA 0.523 5.074 4.550 0.002 0.000 0.338 210 Y C -1.764 174.091 175.900 -0.075 0.000 1.055 210 Y CA -1.486 56.607 58.100 -0.012 0.000 1.023 210 Y CB 1.154 39.642 38.460 0.047 0.000 1.287 210 Y HN -0.040 nan 8.280 nan 0.000 0.447 211 K N 4.437 124.495 120.400 -0.570 0.000 2.543 211 K HA 0.952 5.273 4.320 0.002 0.000 0.255 211 K C -2.233 174.023 176.600 -0.572 0.000 0.934 211 K CA -0.922 55.106 56.287 -0.432 0.000 0.810 211 K CB 2.068 34.424 32.500 -0.241 0.000 1.315 211 K HN 0.949 nan 8.250 nan 0.000 0.433 212 A N 1.489 124.089 122.820 -0.367 0.000 2.547 212 A HA 0.619 4.941 4.320 0.002 0.000 0.297 212 A C -0.693 176.780 177.584 -0.184 0.000 1.056 212 A CA -0.690 51.181 52.037 -0.276 0.000 0.688 212 A CB 1.601 20.461 19.000 -0.233 0.000 1.282 212 A HN 0.817 nan 8.150 nan 0.000 0.400 213 T N -0.832 113.613 114.554 -0.183 0.000 2.927 213 T HA 0.730 5.082 4.350 0.002 0.000 0.281 213 T C -0.133 174.434 174.700 -0.222 0.000 0.998 213 T CA -0.680 61.308 62.100 -0.187 0.000 1.019 213 T CB 1.382 70.139 68.868 -0.184 0.000 1.061 213 T HN 0.840 nan 8.240 nan 0.000 0.518 214 V N 1.555 121.284 119.914 -0.308 0.000 2.581 214 V HA 0.623 4.745 4.120 0.002 0.000 0.303 214 V C -0.159 175.699 176.094 -0.393 0.000 1.041 214 V CA -0.766 61.261 62.300 -0.454 0.000 0.907 214 V CB 1.550 32.807 31.823 -0.943 0.000 0.994 214 V HN 1.052 nan 8.190 nan 0.000 0.442 215 E N 4.173 124.182 120.200 -0.318 0.000 2.283 215 E HA 0.268 4.619 4.350 0.002 0.000 0.258 215 E C -0.385 176.103 176.600 -0.187 0.000 0.893 215 E CA -0.546 55.724 56.400 -0.216 0.000 0.798 215 E CB 0.949 30.569 29.700 -0.133 0.000 1.242 215 E HN 0.832 nan 8.360 nan 0.000 0.414 216 N N 3.643 122.245 118.700 -0.163 0.000 2.686 216 N HA -0.303 4.438 4.740 0.002 0.000 0.261 216 N C 0.753 176.194 175.510 -0.116 0.000 1.001 216 N CA 0.560 53.558 53.050 -0.086 0.000 0.764 216 N CB -0.930 37.550 38.487 -0.011 0.000 0.898 216 N HN 0.953 nan 8.380 nan 0.000 0.544 217 G N -0.854 107.811 108.800 -0.224 0.000 2.284 217 G HA2 -0.327 3.634 3.960 0.002 0.000 0.247 217 G HA3 -0.327 3.634 3.960 0.002 0.000 0.247 217 G C 0.057 174.876 174.900 -0.135 0.000 1.012 217 G CA 0.125 45.154 45.100 -0.119 0.000 0.618 217 G HN 0.491 nan 8.290 nan 0.000 0.521 218 N N 0.807 119.411 118.700 -0.161 0.000 2.458 218 N HA 0.446 5.187 4.740 0.002 0.000 0.270 218 N C -0.288 175.126 175.510 -0.161 0.000 1.102 218 N CA -0.313 52.660 53.050 -0.128 0.000 0.967 218 N CB 1.360 39.786 38.487 -0.101 0.000 1.078 218 N HN 0.225 nan 8.380 nan 0.000 0.471 219 L N 3.394 124.548 121.223 -0.116 0.000 2.313 219 L HA 0.160 4.501 4.340 0.002 0.000 0.282 219 L C -0.090 176.719 176.870 -0.102 0.000 1.092 219 L CA 0.211 54.985 54.840 -0.110 0.000 0.831 219 L CB 0.326 42.349 42.059 -0.060 0.000 1.159 219 L HN 0.351 nan 8.230 nan 0.000 0.442 220 Q N 4.853 124.577 119.800 -0.127 0.000 2.644 220 Q HA 0.197 4.539 4.340 0.002 0.000 0.245 220 Q C -0.418 175.494 176.000 -0.147 0.000 1.064 220 Q CA -0.255 55.475 55.803 -0.121 0.000 0.860 220 Q CB 0.913 29.578 28.738 -0.123 0.000 1.145 220 Q HN 0.607 nan 8.270 nan 0.000 0.515 221 E N 2.653 122.761 120.200 -0.153 0.000 2.465 221 E HA -0.083 4.268 4.350 0.002 0.000 0.260 221 E C -0.031 176.444 176.600 -0.209 0.000 0.980 221 E CA 0.214 56.470 56.400 -0.241 0.000 0.927 221 E CB 0.322 29.880 29.700 -0.237 0.000 0.934 221 E HN 0.390 nan 8.360 nan 0.000 0.459 222 N N 1.572 120.122 118.700 -0.249 0.000 2.741 222 N HA -0.173 4.568 4.740 0.002 0.000 0.251 222 N C -1.126 174.308 175.510 -0.126 0.000 1.112 222 N CA 0.864 53.809 53.050 -0.175 0.000 0.750 222 N CB -1.311 37.091 38.487 -0.143 0.000 1.119 222 N HN 0.175 nan 8.380 nan 0.000 0.561 223 V N 0.734 120.569 119.914 -0.132 0.000 2.364 223 V HA 0.470 4.592 4.120 0.002 0.000 0.272 223 V C 1.682 177.707 176.094 -0.114 0.000 1.036 223 V CA 0.204 62.440 62.300 -0.107 0.000 0.880 223 V CB 1.348 33.109 31.823 -0.103 0.000 0.991 223 V HN 0.343 nan 8.190 nan 0.000 0.460 224 A N 4.518 127.282 122.820 -0.092 0.000 1.972 224 A HA -0.041 4.280 4.320 0.002 0.000 0.219 224 A C 0.864 178.371 177.584 -0.129 0.000 1.169 224 A CA 1.553 53.534 52.037 -0.094 0.000 0.635 224 A CB -0.085 18.878 19.000 -0.062 0.000 0.810 224 A HN 0.956 nan 8.150 nan 0.000 0.446 225 E N -1.559 118.563 120.200 -0.129 0.000 2.390 225 E HA 0.507 4.858 4.350 0.002 0.000 0.280 225 E C -1.823 174.688 176.600 -0.148 0.000 0.992 225 E CA -1.017 55.271 56.400 -0.187 0.000 0.790 225 E CB 0.876 30.482 29.700 -0.156 0.000 1.248 225 E HN 0.095 nan 8.360 nan 0.000 0.447 226 Q N 1.243 120.920 119.800 -0.206 0.000 2.331 226 Q HA 0.409 4.750 4.340 0.002 0.000 0.272 226 Q C -1.241 174.748 176.000 -0.018 0.000 1.062 226 Q CA -0.848 54.893 55.803 -0.103 0.000 0.806 226 Q CB 2.552 31.215 28.738 -0.125 0.000 1.312 226 Q HN 0.663 nan 8.270 nan 0.000 0.431 227 T N 1.622 116.229 114.554 0.088 0.000 2.864 227 T HA 0.595 4.947 4.350 0.002 0.000 0.310 227 T C -0.378 174.375 174.700 0.089 0.000 1.040 227 T CA -0.300 61.888 62.100 0.146 0.000 0.977 227 T CB 1.268 70.246 68.868 0.184 0.000 0.976 227 T HN 0.581 nan 8.240 nan 0.000 0.459 228 T N 1.056 115.661 114.554 0.086 0.000 2.711 228 T HA 0.277 4.628 4.350 0.002 0.000 0.302 228 T C 0.547 175.313 174.700 0.111 0.000 1.373 228 T CA -0.411 61.735 62.100 0.075 0.000 1.000 228 T CB 1.718 70.606 68.868 0.033 0.000 1.483 228 T HN 0.444 nan 8.240 nan 0.000 0.499 229 D N 0.199 120.664 120.400 0.109 0.000 2.106 229 D HA -0.124 4.517 4.640 0.002 0.000 0.191 229 D C 0.653 177.068 176.300 0.193 0.000 0.997 229 D CA 1.815 55.895 54.000 0.134 0.000 0.834 229 D CB -0.024 40.846 40.800 0.116 0.000 0.956 229 D HN 0.555 nan 8.370 nan 0.000 0.448 230 H N -0.837 118.273 119.070 0.067 0.000 2.854 230 H HA 0.582 5.139 4.556 0.002 0.000 0.275 230 H C -1.159 174.182 175.328 0.022 0.000 1.198 230 H CA -0.875 55.227 56.048 0.090 0.000 1.489 230 H CB 0.584 30.402 29.762 0.095 0.000 1.519 230 H HN 0.162 nan 8.280 nan 0.000 0.503 231 A N 3.168 126.139 122.820 0.252 0.000 2.322 231 A HA 0.721 5.042 4.320 0.002 0.000 0.269 231 A C 0.324 177.938 177.584 0.050 0.000 1.094 231 A CA 0.250 52.314 52.037 0.046 0.000 0.807 231 A CB 0.921 19.927 19.000 0.010 0.000 1.047 231 A HN 0.759 nan 8.150 nan 0.000 0.487 232 G N -1.475 107.228 108.800 -0.161 0.000 2.649 232 G HA2 0.799 4.760 3.960 0.002 0.000 0.290 232 G HA3 0.799 4.760 3.960 0.002 0.000 0.290 232 G C -1.087 173.746 174.900 -0.113 0.000 1.426 232 G CA 0.105 45.131 45.100 -0.124 0.000 0.794 232 G HN 1.931 nan 8.290 nan 0.000 0.483 233 A N -0.323 122.517 122.820 0.032 0.000 2.566 233 A HA 0.780 5.101 4.320 0.002 0.000 0.297 233 A C -1.457 176.151 177.584 0.040 0.000 1.059 233 A CA -0.474 51.553 52.037 -0.016 0.000 0.691 233 A CB 1.195 20.193 19.000 -0.004 0.000 1.282 233 A HN 0.851 nan 8.150 nan 0.000 0.401 234 I N 2.697 123.253 120.570 -0.024 0.000 2.512 234 I HA 0.444 4.615 4.170 0.002 0.000 0.287 234 I C -1.129 174.960 176.117 -0.047 0.000 1.069 234 I CA -0.623 60.670 61.300 -0.012 0.000 1.056 234 I CB 1.863 39.866 38.000 0.006 0.000 1.229 234 I HN 0.710 nan 8.210 nan 0.000 0.429 235 I N 3.070 123.521 120.570 -0.199 0.000 2.740 235 I HA 1.068 5.240 4.170 0.002 0.000 0.303 235 I C -0.007 175.866 176.117 -0.407 0.000 1.044 235 I CA -0.302 60.776 61.300 -0.370 0.000 1.064 235 I CB 2.057 39.425 38.000 -1.055 0.000 1.249 235 I HN 0.560 nan 8.210 nan 0.000 0.433 236 G N 2.431 110.930 108.800 -0.502 0.000 2.619 236 G HA2 0.842 4.803 3.960 0.002 0.000 0.305 236 G HA3 0.842 4.803 3.960 0.002 0.000 0.305 236 G C -1.505 172.743 174.900 -1.087 0.000 1.330 236 G CA -0.701 43.713 45.100 -1.144 0.000 0.789 236 G HN 0.994 nan 8.290 nan 0.000 0.487 237 F N -2.452 117.272 119.950 -0.378 0.000 3.031 237 F HA 0.575 5.103 4.527 0.002 0.000 0.326 237 F C -0.521 175.058 175.800 -0.368 0.000 1.143 237 F CA -1.589 56.245 58.000 -0.276 0.000 0.871 237 F CB 1.166 40.046 39.000 -0.201 0.000 1.377 237 F HN 0.343 nan 8.300 nan 0.000 0.462 238 K N 1.271 121.672 120.400 0.001 0.000 2.298 238 K HA 0.534 4.855 4.320 0.002 0.000 0.280 238 K C -0.640 175.902 176.600 -0.097 0.000 1.032 238 K CA -0.179 56.057 56.287 -0.085 0.000 0.958 238 K CB 1.463 33.917 32.500 -0.076 0.000 0.978 238 K HN 0.755 nan 8.250 nan 0.000 0.472 239 T N 0.265 114.758 114.554 -0.101 0.000 2.876 239 T HA 0.431 4.783 4.350 0.002 0.000 0.289 239 T C -0.237 174.449 174.700 -0.022 0.000 1.014 239 T CA -1.241 60.802 62.100 -0.094 0.000 0.986 239 T CB 1.479 70.287 68.868 -0.101 0.000 1.021 239 T HN 0.631 nan 8.240 nan 0.000 0.458 240 R N 1.445 121.938 120.500 -0.012 0.000 2.532 240 R HA 0.474 4.815 4.340 0.002 0.000 0.272 240 R C -0.139 176.193 176.300 0.053 0.000 1.032 240 R CA -1.106 55.004 56.100 0.017 0.000 1.089 240 R CB 0.941 31.243 30.300 0.003 0.000 1.098 240 R HN 0.682 nan 8.270 nan 0.000 0.526 241 K N 0.703 121.138 120.400 0.058 0.000 2.440 241 K HA -0.081 4.240 4.320 0.002 0.000 0.275 241 K C 0.336 176.983 176.600 0.078 0.000 1.082 241 K CA 1.626 57.959 56.287 0.077 0.000 1.135 241 K CB -0.288 32.248 32.500 0.060 0.000 0.864 241 K HN 0.949 nan 8.250 nan 0.000 0.479 242 G N 3.103 111.968 108.800 0.108 0.000 2.132 242 G HA2 -0.271 3.691 3.960 0.002 0.000 0.228 242 G HA3 -0.271 3.691 3.960 0.002 0.000 0.228 242 G C -0.164 174.797 174.900 0.103 0.000 1.000 242 G CA 0.248 45.407 45.100 0.099 0.000 0.693 242 G HN 0.719 nan 8.290 nan 0.000 0.515 243 E N 0.379 120.656 120.200 0.128 0.000 2.259 243 E HA 0.411 4.762 4.350 0.002 0.000 0.281 243 E C 0.370 177.080 176.600 0.184 0.000 1.037 243 E CA -0.268 56.197 56.400 0.108 0.000 0.854 243 E CB 0.320 30.051 29.700 0.053 0.000 1.051 243 E HN 0.474 nan 8.360 nan 0.000 0.409 244 Q N 2.803 122.682 119.800 0.131 0.000 2.340 244 Q HA 0.321 4.662 4.340 0.002 0.000 0.259 244 Q C -1.077 175.022 176.000 0.166 0.000 0.964 244 Q CA -0.671 55.229 55.803 0.163 0.000 0.900 244 Q CB 1.993 30.788 28.738 0.095 0.000 1.228 244 Q HN 0.323 nan 8.270 nan 0.000 0.449 245 V N 3.783 123.882 119.914 0.308 0.000 2.398 245 V HA 0.308 4.429 4.120 0.002 0.000 0.286 245 V C -0.132 176.156 176.094 0.324 0.000 1.026 245 V CA -0.839 61.656 62.300 0.324 0.000 0.868 245 V CB 1.398 33.513 31.823 0.487 0.000 0.982 245 V HN 0.741 nan 8.190 nan 0.000 0.443 246 N N 3.050 121.883 118.700 0.221 0.000 2.405 246 N HA 0.721 5.463 4.740 0.002 0.000 0.299 246 N C -0.533 175.061 175.510 0.141 0.000 1.075 246 N CA -0.341 52.775 53.050 0.110 0.000 0.884 246 N CB 2.515 41.028 38.487 0.043 0.000 1.194 246 N HN 0.761 nan 8.380 nan 0.000 0.491 247 A N 2.215 125.045 122.820 0.017 0.000 2.319 247 A HA 0.481 4.802 4.320 0.002 0.000 0.310 247 A C -0.213 177.325 177.584 -0.076 0.000 1.152 247 A CA -0.746 51.211 52.037 -0.135 0.000 0.783 247 A CB 0.775 19.640 19.000 -0.225 0.000 1.184 247 A HN 0.584 nan 8.150 nan 0.000 0.474 248 R N 1.838 122.293 120.500 -0.075 0.000 2.254 248 R HA 0.608 4.949 4.340 0.002 0.000 0.318 248 R C -0.912 175.398 176.300 0.018 0.000 1.031 248 R CA 0.135 56.223 56.100 -0.021 0.000 0.905 248 R CB 0.935 31.236 30.300 0.001 0.000 1.050 248 R HN 0.662 nan 8.270 nan 0.000 0.456 249 I N 1.749 122.357 120.570 0.064 0.000 2.545 249 I HA 0.638 4.809 4.170 0.002 0.000 0.292 249 I C -0.456 175.796 176.117 0.225 0.000 1.040 249 I CA -0.822 60.587 61.300 0.182 0.000 1.068 249 I CB 2.193 40.347 38.000 0.257 0.000 1.251 249 I HN 0.666 nan 8.210 nan 0.000 0.424 250 A N 3.857 126.850 122.820 0.289 0.000 2.587 250 A HA 0.913 5.234 4.320 0.002 0.000 0.293 250 A C -0.802 176.971 177.584 0.316 0.000 1.087 250 A CA -0.446 51.758 52.037 0.278 0.000 0.692 250 A CB 2.134 21.241 19.000 0.177 0.000 1.291 250 A HN 0.736 nan 8.150 nan 0.000 0.407 251 S N -0.277 115.572 115.700 0.248 0.000 2.685 251 S HA 0.918 5.390 4.470 0.002 0.000 0.282 251 S C -0.535 174.059 174.600 -0.011 0.000 1.159 251 S CA 0.056 58.348 58.200 0.153 0.000 0.833 251 S CB 1.517 64.840 63.200 0.204 0.000 1.151 251 S HN 2.203 nan 8.310 nan 0.000 0.485 252 S N -0.864 114.745 115.700 -0.152 0.000 2.570 252 S HA 0.672 5.143 4.470 0.002 0.000 0.270 252 S C -1.275 173.085 174.600 -0.401 0.000 1.149 252 S CA -0.712 57.367 58.200 -0.201 0.000 0.837 252 S CB 0.822 63.983 63.200 -0.066 0.000 1.124 252 S HN 0.645 nan 8.310 nan 0.000 0.465 253 F N 1.601 121.493 119.950 -0.097 0.000 2.695 253 F HA 0.452 4.980 4.527 0.002 0.000 0.303 253 F C 1.373 177.097 175.800 -0.127 0.000 1.091 253 F CA -0.052 57.810 58.000 -0.231 0.000 1.300 253 F CB 0.180 38.970 39.000 -0.350 0.000 1.071 253 F HN 0.413 nan 8.300 nan 0.000 0.578 254 I N -1.250 119.377 120.570 0.096 0.000 2.512 254 I HA 0.040 4.211 4.170 0.002 0.000 0.247 254 I C 0.713 176.678 176.117 -0.252 0.000 1.094 254 I CA 0.555 61.884 61.300 0.048 0.000 1.427 254 I CB 0.090 38.118 38.000 0.048 0.000 1.149 254 I HN 0.080 nan 8.210 nan 0.000 0.438 255 S N -1.860 113.514 115.700 -0.544 0.000 2.645 255 S HA 0.247 4.718 4.470 0.002 0.000 0.268 255 S C -0.026 174.140 174.600 -0.724 0.000 1.110 255 S CA -0.742 56.833 58.200 -1.042 0.000 0.823 255 S CB 0.284 63.206 63.200 -0.464 0.000 1.091 255 S HN 0.011 nan 8.310 nan 0.000 0.466 256 F N 1.460 121.094 119.950 -0.526 0.000 2.134 256 F HA 0.083 4.611 4.527 0.002 0.000 0.299 256 F C 2.713 178.444 175.800 -0.115 0.000 1.097 256 F CA 1.896 59.781 58.000 -0.191 0.000 1.264 256 F CB -0.365 38.565 39.000 -0.116 0.000 1.001 256 F HN 0.936 nan 8.300 nan 0.000 0.479 257 E N 0.019 120.251 120.200 0.053 0.000 2.110 257 E HA -0.313 4.039 4.350 0.002 0.000 0.193 257 E C 2.155 178.763 176.600 0.014 0.000 0.988 257 E CA 1.323 57.742 56.400 0.031 0.000 0.804 257 E CB -0.115 29.588 29.700 0.005 0.000 0.745 257 E HN 0.358 nan 8.360 nan 0.000 0.458 258 Q N 0.356 120.138 119.800 -0.028 0.000 2.123 258 Q HA -0.027 4.314 4.340 0.002 0.000 0.199 258 Q C 1.859 177.868 176.000 0.016 0.000 0.966 258 Q CA 1.653 57.450 55.803 -0.009 0.000 0.845 258 Q CB -0.335 28.389 28.738 -0.025 0.000 0.907 258 Q HN 0.345 nan 8.270 nan 0.000 0.439 259 A N 0.331 123.158 122.820 0.013 0.000 1.940 259 A HA -0.079 4.242 4.320 0.002 0.000 0.219 259 A C 2.268 179.911 177.584 0.097 0.000 1.176 259 A CA 1.778 53.854 52.037 0.065 0.000 0.631 259 A CB -1.093 17.963 19.000 0.093 0.000 0.814 259 A HN 0.520 nan 8.150 nan 0.000 0.446 260 A N -0.286 122.592 122.820 0.096 0.000 1.930 260 A HA 0.219 4.540 4.320 0.002 0.000 0.217 260 A C 2.459 180.083 177.584 0.067 0.000 1.175 260 A CA 1.847 53.936 52.037 0.087 0.000 0.627 260 A CB -0.861 18.185 19.000 0.077 0.000 0.815 260 A HN 1.007 nan 8.150 nan 0.000 0.443 261 A N 0.381 123.234 122.820 0.056 0.000 1.930 261 A HA -0.162 4.159 4.320 0.002 0.000 0.217 261 A C 1.821 179.440 177.584 0.058 0.000 1.175 261 A CA 1.677 53.744 52.037 0.050 0.000 0.627 261 A CB -0.575 18.451 19.000 0.044 0.000 0.815 261 A HN 0.517 nan 8.150 nan 0.000 0.443 262 N N -0.807 117.931 118.700 0.064 0.000 2.289 262 N HA -0.131 4.610 4.740 0.002 0.000 0.184 262 N C 1.445 177.001 175.510 0.077 0.000 1.016 262 N CA 1.555 54.647 53.050 0.071 0.000 0.872 262 N CB -0.438 38.094 38.487 0.075 0.000 0.973 262 N HN 0.559 nan 8.380 nan 0.000 0.433 263 M N 0.679 120.327 119.600 0.080 0.000 2.460 263 M HA 0.008 4.489 4.480 0.002 0.000 0.263 263 M C 0.888 177.222 176.300 0.057 0.000 1.071 263 M CA 1.251 56.597 55.300 0.077 0.000 1.096 263 M CB -0.276 32.373 32.600 0.081 0.000 1.408 263 M HN 0.081 nan 8.290 nan 0.000 0.463 264 N N -0.151 118.580 118.700 0.053 0.000 2.453 264 N HA -0.133 4.608 4.740 0.002 0.000 0.183 264 N C 1.212 176.747 175.510 0.041 0.000 1.041 264 N CA 0.875 53.951 53.050 0.043 0.000 0.900 264 N CB -0.085 38.427 38.487 0.042 0.000 0.961 264 N HN 0.515 nan 8.380 nan 0.000 0.443 265 E N 0.710 120.939 120.200 0.048 0.000 2.187 265 E HA -0.202 4.149 4.350 0.002 0.000 0.199 265 E C 1.355 177.975 176.600 0.034 0.000 1.004 265 E CA 0.824 57.252 56.400 0.046 0.000 0.813 265 E CB -0.072 29.662 29.700 0.057 0.000 0.736 265 E HN 0.467 nan 8.360 nan 0.000 0.468 266 L N -0.278 120.963 121.223 0.029 0.000 2.478 266 L HA 0.028 4.369 4.340 0.002 0.000 0.223 266 L C 1.596 178.473 176.870 0.012 0.000 1.140 266 L CA 0.207 55.055 54.840 0.015 0.000 0.842 266 L CB -0.891 41.173 42.059 0.009 0.000 0.953 266 L HN 0.246 nan 8.230 nan 0.000 0.452 267 G N 1.258 110.069 108.800 0.018 0.000 2.627 267 G HA2 -0.367 3.594 3.960 0.002 0.000 0.312 267 G HA3 -0.367 3.594 3.960 0.002 0.000 0.312 267 G C 0.652 175.559 174.900 0.011 0.000 1.299 267 G CA 0.493 45.602 45.100 0.015 0.000 0.989 267 G HN 0.337 nan 8.290 nan 0.000 0.547 268 K N 1.345 121.748 120.400 0.007 0.000 2.478 268 K HA 0.198 4.519 4.320 0.002 0.000 0.205 268 K C -0.254 176.346 176.600 -0.001 0.000 1.033 268 K CA -0.255 56.035 56.287 0.004 0.000 1.091 268 K CB 0.642 33.145 32.500 0.004 0.000 0.844 268 K HN 0.486 nan 8.250 nan 0.000 0.507 269 D N 2.989 123.387 120.400 -0.003 0.000 2.382 269 D HA -0.020 4.621 4.640 0.002 0.000 0.240 269 D C 0.527 176.820 176.300 -0.012 0.000 1.146 269 D CA 0.401 54.395 54.000 -0.009 0.000 0.897 269 D CB 0.692 41.487 40.800 -0.010 0.000 1.197 269 D HN 0.192 nan 8.370 nan 0.000 0.432 270 N N 0.802 119.494 118.700 -0.014 0.000 2.604 270 N HA 0.102 4.844 4.740 0.002 0.000 0.297 270 N C 1.126 176.624 175.510 -0.019 0.000 1.266 270 N CA -0.611 52.430 53.050 -0.016 0.000 0.961 270 N CB 0.668 39.147 38.487 -0.013 0.000 1.166 270 N HN 0.113 nan 8.380 nan 0.000 0.601 271 I N 0.277 120.837 120.570 -0.017 0.000 2.087 271 I HA -0.268 3.903 4.170 0.002 0.000 0.240 271 I C 1.861 177.972 176.117 -0.010 0.000 1.054 271 I CA 1.845 63.144 61.300 -0.002 0.000 1.311 271 I CB -1.215 36.802 38.000 0.028 0.000 1.024 271 I HN 0.583 nan 8.210 nan 0.000 0.402 272 E N 0.468 120.644 120.200 -0.040 0.000 2.110 272 E HA -0.219 4.132 4.350 0.002 0.000 0.193 272 E C 2.241 178.804 176.600 -0.062 0.000 0.988 272 E CA 1.100 57.454 56.400 -0.077 0.000 0.804 272 E CB -0.240 29.415 29.700 -0.075 0.000 0.745 272 E HN 0.551 nan 8.360 nan 0.000 0.458 273 Q N -0.230 119.545 119.800 -0.042 0.000 2.123 273 Q HA -0.039 4.302 4.340 0.002 0.000 0.199 273 Q C 2.220 178.203 176.000 -0.028 0.000 0.966 273 Q CA 0.764 56.545 55.803 -0.037 0.000 0.845 273 Q CB -0.033 28.689 28.738 -0.027 0.000 0.907 273 Q HN 0.278 nan 8.270 nan 0.000 0.439 274 L N 0.149 121.363 121.223 -0.014 0.000 2.044 274 L HA -0.145 4.196 4.340 0.002 0.000 0.205 274 L C 2.471 179.360 176.870 0.032 0.000 1.075 274 L CA 0.837 55.679 54.840 0.004 0.000 0.747 274 L CB -0.508 41.552 42.059 0.002 0.000 0.903 274 L HN 0.238 nan 8.230 nan 0.000 0.435 275 A N -0.369 122.483 122.820 0.054 0.000 1.927 275 A HA -0.353 3.968 4.320 0.002 0.000 0.220 275 A C 2.132 179.710 177.584 -0.009 0.000 1.185 275 A CA 2.394 54.517 52.037 0.143 0.000 0.639 275 A CB -0.640 18.391 19.000 0.051 0.000 0.820 275 A HN 0.493 nan 8.150 nan 0.000 0.451 276 Q N -0.233 119.513 119.800 -0.091 0.000 2.172 276 Q HA -0.057 4.285 4.340 0.002 0.000 0.200 276 Q C 1.869 177.787 176.000 -0.137 0.000 0.964 276 Q CA 1.941 57.643 55.803 -0.168 0.000 0.855 276 Q CB -0.217 28.445 28.738 -0.128 0.000 0.918 276 Q HN 0.688 nan 8.270 nan 0.000 0.444 277 K N -0.795 119.563 120.400 -0.069 0.000 2.097 277 K HA -0.015 4.306 4.320 0.002 0.000 0.205 277 K C 1.989 178.569 176.600 -0.033 0.000 1.050 277 K CA 0.990 57.250 56.287 -0.045 0.000 0.938 277 K CB -0.316 32.173 32.500 -0.019 0.000 0.718 277 K HN 0.371 nan 8.250 nan 0.000 0.442 278 G N 1.954 110.758 108.800 0.006 0.000 2.421 278 G HA2 -0.293 3.668 3.960 0.002 0.000 0.216 278 G HA3 -0.293 3.668 3.960 0.002 0.000 0.216 278 G C 1.460 176.402 174.900 0.070 0.000 1.171 278 G CA 0.761 45.925 45.100 0.107 0.000 0.775 278 G HN 0.222 nan 8.290 nan 0.000 0.543 279 K N 0.144 120.368 120.400 -0.295 0.000 2.097 279 K HA -0.100 4.222 4.320 0.002 0.000 0.205 279 K C 1.933 178.436 176.600 -0.162 0.000 1.050 279 K CA 1.450 57.401 56.287 -0.560 0.000 0.938 279 K CB -0.058 31.808 32.500 -1.055 0.000 0.718 279 K HN 0.119 nan 8.250 nan 0.000 0.442 280 D N 0.459 120.784 120.400 -0.125 0.000 2.117 280 D HA -0.115 4.526 4.640 0.002 0.000 0.198 280 D C 1.785 178.080 176.300 -0.008 0.000 0.982 280 D CA 1.267 55.235 54.000 -0.053 0.000 0.828 280 D CB -0.250 40.517 40.800 -0.054 0.000 0.967 280 D HN 0.322 nan 8.370 nan 0.000 0.464 281 A N 0.277 123.077 122.820 -0.034 0.000 1.883 281 A HA -0.185 4.136 4.320 0.002 0.000 0.217 281 A C 2.211 179.726 177.584 -0.116 0.000 1.186 281 A CA 1.381 53.360 52.037 -0.097 0.000 0.624 281 A CB -1.279 17.616 19.000 -0.176 0.000 0.822 281 A HN 0.315 nan 8.150 nan 0.000 0.444 282 W N -0.058 121.250 121.300 0.014 0.000 2.381 282 W HA -0.099 4.563 4.660 0.003 0.000 0.301 282 W C 2.271 178.830 176.519 0.068 0.000 1.205 282 W CA 1.315 58.683 57.345 0.038 0.000 1.285 282 W CB -0.358 29.146 29.460 0.073 0.000 1.133 282 W HN 0.439 nan 8.180 nan 0.000 0.521 283 N N -0.152 118.718 118.700 0.284 0.000 2.223 283 N HA -0.248 4.493 4.740 0.002 0.000 0.185 283 N C 1.624 177.261 175.510 0.211 0.000 1.016 283 N CA 1.155 54.358 53.050 0.255 0.000 0.863 283 N CB -0.262 38.321 38.487 0.160 0.000 0.983 283 N HN 0.089 nan 8.380 nan 0.000 0.429 284 Q N 1.000 120.884 119.800 0.140 0.000 2.291 284 Q HA -0.092 4.249 4.340 0.002 0.000 0.205 284 Q C 1.750 177.850 176.000 0.168 0.000 0.970 284 Q CA 1.146 57.020 55.803 0.117 0.000 0.876 284 Q CB 0.166 28.946 28.738 0.070 0.000 0.935 284 Q HN 0.414 nan 8.270 nan 0.000 0.455 285 V N -3.549 116.480 119.914 0.192 0.000 2.788 285 V HA 0.098 4.220 4.120 0.002 0.000 0.241 285 V C 1.987 178.286 176.094 0.342 0.000 1.083 285 V CA 0.655 63.125 62.300 0.283 0.000 1.103 285 V CB -0.617 31.258 31.823 0.087 0.000 0.800 285 V HN 0.264 nan 8.190 nan 0.000 0.476 286 L N 1.776 123.189 121.223 0.317 0.000 2.131 286 L HA 0.023 4.365 4.340 0.002 0.000 0.210 286 L C 2.574 179.485 176.870 0.069 0.000 1.092 286 L CA 1.762 56.779 54.840 0.295 0.000 0.759 286 L CB -1.004 41.262 42.059 0.344 0.000 0.903 286 L HN 0.554 nan 8.230 nan 0.000 0.435 287 G N -0.845 107.974 108.800 0.033 0.000 2.848 287 G HA2 -0.101 3.860 3.960 0.002 0.000 0.208 287 G HA3 -0.101 3.860 3.960 0.002 0.000 0.208 287 G C 1.476 176.374 174.900 -0.003 0.000 1.152 287 G CA -0.057 44.969 45.100 -0.123 0.000 0.789 287 G HN 0.116 nan 8.290 nan 0.000 0.531 288 K N 0.115 120.564 120.400 0.081 0.000 2.366 288 K HA 0.177 4.498 4.320 0.002 0.000 0.198 288 K C 0.544 177.151 176.600 0.012 0.000 1.044 288 K CA 0.267 56.606 56.287 0.087 0.000 0.973 288 K CB 0.414 32.935 32.500 0.035 0.000 0.767 288 K HN 0.362 nan 8.250 nan 0.000 0.475 289 I N 1.860 122.408 120.570 -0.035 0.000 2.420 289 I HA 0.170 4.341 4.170 0.002 0.000 0.282 289 I C -0.614 175.338 176.117 -0.274 0.000 1.019 289 I CA -0.433 60.799 61.300 -0.114 0.000 1.130 289 I CB 1.613 39.624 38.000 0.018 0.000 1.262 289 I HN -0.162 nan 8.210 nan 0.000 0.454 290 E N 6.124 126.118 120.200 -0.343 0.000 2.109 290 E HA 0.428 4.779 4.350 0.002 0.000 0.278 290 E C -0.674 175.707 176.600 -0.366 0.000 0.954 290 E CA -0.618 55.489 56.400 -0.488 0.000 0.779 290 E CB 2.364 32.001 29.700 -0.105 0.000 1.093 290 E HN 0.463 nan 8.360 nan 0.000 0.401 291 V N 0.733 120.374 119.914 -0.454 0.000 2.667 291 V HA 0.672 4.793 4.120 0.002 0.000 0.308 291 V C -0.369 175.529 176.094 -0.326 0.000 1.048 291 V CA -0.668 61.267 62.300 -0.608 0.000 0.928 291 V CB 1.562 32.463 31.823 -1.536 0.000 1.004 291 V HN 0.790 nan 8.190 nan 0.000 0.444 292 E N 1.759 121.869 120.200 -0.151 0.000 2.458 292 E HA 0.714 5.065 4.350 0.002 0.000 0.278 292 E C 0.299 177.055 176.600 0.259 0.000 1.004 292 E CA -0.878 55.572 56.400 0.084 0.000 0.823 292 E CB 1.550 31.295 29.700 0.075 0.000 1.396 292 E HN 1.936 nan 8.360 nan 0.000 0.463 293 G N -0.615 108.376 108.800 0.319 0.000 2.182 293 G HA2 0.009 3.970 3.960 0.002 0.000 0.248 293 G HA3 0.009 3.970 3.960 0.002 0.000 0.248 293 G C 0.133 175.197 174.900 0.274 0.000 1.042 293 G CA 0.100 45.351 45.100 0.253 0.000 0.775 293 G HN 0.920 nan 8.290 nan 0.000 0.501 294 G N -0.676 108.316 108.800 0.319 0.000 2.921 294 G HA2 0.761 4.723 3.960 0.002 0.000 0.291 294 G HA3 0.761 4.723 3.960 0.002 0.000 0.291 294 G C -0.278 174.393 174.900 -0.381 0.000 1.370 294 G CA 0.003 45.112 45.100 0.016 0.000 0.847 294 G HN 1.008 nan 8.290 nan 0.000 0.532 295 N N -1.282 117.192 118.700 -0.378 0.000 2.434 295 N HA 0.326 5.067 4.740 0.002 0.000 0.266 295 N C 1.115 176.293 175.510 -0.553 0.000 1.223 295 N CA -0.751 52.080 53.050 -0.365 0.000 0.972 295 N CB 1.227 39.612 38.487 -0.171 0.000 1.207 295 N HN 0.341 nan 8.380 nan 0.000 0.525 296 L N -0.278 120.784 121.223 -0.267 0.000 2.131 296 L HA -0.080 4.261 4.340 0.002 0.000 0.210 296 L C 1.027 177.873 176.870 -0.039 0.000 1.092 296 L CA 1.797 56.577 54.840 -0.100 0.000 0.759 296 L CB -0.954 41.145 42.059 0.068 0.000 0.903 296 L HN 0.608 nan 8.230 nan 0.000 0.435 297 D N -0.709 119.661 120.400 -0.049 0.000 2.123 297 D HA -0.209 4.432 4.640 0.002 0.000 0.196 297 D C 2.187 178.511 176.300 0.041 0.000 0.992 297 D CA 1.398 55.400 54.000 0.004 0.000 0.833 297 D CB -0.018 40.775 40.800 -0.011 0.000 0.954 297 D HN 0.529 nan 8.370 nan 0.000 0.455 298 Q N -0.846 118.955 119.800 0.002 0.000 2.083 298 Q HA -0.140 4.202 4.340 0.002 0.000 0.198 298 Q C 2.115 178.366 176.000 0.419 0.000 0.969 298 Q CA 0.787 56.687 55.803 0.163 0.000 0.838 298 Q CB -0.156 28.581 28.738 -0.002 0.000 0.900 298 Q HN 0.372 nan 8.270 nan 0.000 0.436 299 Y N 0.981 121.418 120.300 0.229 0.000 2.165 299 Y HA -0.204 4.348 4.550 0.003 0.000 0.286 299 Y C 2.282 178.294 175.900 0.187 0.000 1.155 299 Y CA 1.078 59.208 58.100 0.050 0.000 1.164 299 Y CB -0.537 37.574 38.460 -0.582 0.000 0.978 299 Y HN 0.050 nan 8.280 nan 0.000 0.513 300 R N -0.822 119.857 120.500 0.299 0.000 2.066 300 R HA -0.108 4.233 4.340 0.002 0.000 0.232 300 R C 2.248 178.673 176.300 0.209 0.000 1.131 300 R CA 1.911 58.188 56.100 0.296 0.000 0.955 300 R CB -0.774 29.649 30.300 0.206 0.000 0.851 300 R HN 0.223 nan 8.270 nan 0.000 0.432 301 T N 0.926 115.551 114.554 0.119 0.000 2.746 301 T HA -0.167 4.184 4.350 0.002 0.000 0.267 301 T C 1.379 176.020 174.700 -0.098 0.000 1.039 301 T CA 1.358 63.403 62.100 -0.091 0.000 1.142 301 T CB -0.289 68.445 68.868 -0.224 0.000 0.866 301 T HN 0.173 nan 8.240 nan 0.000 0.444 302 F N 0.726 120.714 119.950 0.062 0.000 2.084 302 F HA -0.073 4.455 4.527 0.002 0.000 0.296 302 F C 1.958 177.711 175.800 -0.078 0.000 1.111 302 F CA 1.141 59.192 58.000 0.086 0.000 1.224 302 F CB -0.364 38.705 39.000 0.115 0.000 0.991 302 F HN 0.111 nan 8.300 nan 0.000 0.471 303 Y N -0.032 120.479 120.300 0.350 0.000 2.373 303 Y HA -0.120 4.432 4.550 0.002 0.000 0.293 303 Y C 2.717 178.694 175.900 0.128 0.000 1.129 303 Y CA 1.311 59.552 58.100 0.236 0.000 1.226 303 Y CB -0.971 37.738 38.460 0.416 0.000 1.000 303 Y HN 0.030 nan 8.280 nan 0.000 0.549 304 S N -1.242 114.588 115.700 0.217 0.000 2.368 304 S HA -0.181 4.290 4.470 0.002 0.000 0.224 304 S C 2.198 176.918 174.600 0.200 0.000 1.029 304 S CA 1.250 59.558 58.200 0.179 0.000 0.988 304 S CB -0.684 62.580 63.200 0.107 0.000 0.838 304 S HN 0.530 nan 8.310 nan 0.000 0.462 305 C N 1.065 120.402 119.300 0.061 0.000 2.425 305 C HA 0.033 4.494 4.460 0.002 0.000 0.277 305 C C 2.489 177.493 174.990 0.024 0.000 1.280 305 C CA 0.379 59.444 59.018 0.079 0.000 1.744 305 C CB -1.257 26.481 27.740 -0.004 0.000 1.989 305 C HN 0.501 nan 8.230 nan 0.000 0.491 306 L N 0.597 121.756 121.223 -0.106 0.000 2.017 306 L HA -0.136 4.206 4.340 0.002 0.000 0.208 306 L C 2.335 179.257 176.870 0.088 0.000 1.073 306 L CA 2.069 56.857 54.840 -0.086 0.000 0.745 306 L CB -1.537 40.427 42.059 -0.159 0.000 0.894 306 L HN 0.552 nan 8.230 nan 0.000 0.432 307 Y N 0.345 120.641 120.300 -0.008 0.000 2.114 307 Y HA -0.266 4.286 4.550 0.002 0.000 0.282 307 Y C 2.437 178.307 175.900 -0.050 0.000 1.165 307 Y CA 1.869 59.913 58.100 -0.094 0.000 1.148 307 Y CB -0.354 37.938 38.460 -0.279 0.000 0.972 307 Y HN 0.102 nan 8.280 nan 0.000 0.504 308 R N 0.239 120.614 120.500 -0.208 0.000 2.237 308 R HA -0.036 4.306 4.340 0.002 0.000 0.219 308 R C 1.908 178.168 176.300 -0.067 0.000 1.080 308 R CA 1.089 57.022 56.100 -0.278 0.000 0.995 308 R CB -0.717 29.579 30.300 -0.006 0.000 0.875 308 R HN 0.357 nan 8.270 nan 0.000 0.462 309 S N 0.359 116.057 115.700 -0.004 0.000 2.575 309 S HA 0.198 4.669 4.470 0.002 0.000 0.215 309 S C 1.272 175.901 174.600 0.048 0.000 0.966 309 S CA 0.131 58.373 58.200 0.071 0.000 0.911 309 S CB 0.292 63.549 63.200 0.095 0.000 0.780 309 S HN 0.194 nan 8.310 nan 0.000 0.514 310 L N 0.340 121.500 121.223 -0.106 0.000 3.122 310 L HA 0.385 4.726 4.340 0.002 0.000 0.274 310 L C 0.921 177.311 176.870 -0.800 0.000 1.222 310 L CA 0.162 54.729 54.840 -0.455 0.000 1.028 310 L CB 0.144 41.920 42.059 -0.471 0.000 1.386 310 L HN 0.236 nan 8.230 nan 0.000 0.578 311 L N -1.056 119.982 121.223 -0.308 0.000 2.286 311 L HA 0.254 4.596 4.340 0.002 0.000 0.203 311 L C -0.034 176.801 176.870 -0.059 0.000 1.068 311 L CA 0.733 55.413 54.840 -0.267 0.000 0.811 311 L CB 0.288 42.102 42.059 -0.407 0.000 0.989 311 L HN 0.033 nan 8.230 nan 0.000 0.467 312 F N 0.191 120.340 119.950 0.331 0.000 2.551 312 F HA 0.477 5.005 4.527 0.002 0.000 0.316 312 F C -2.253 173.721 175.800 0.291 0.000 1.089 312 F CA -2.686 55.529 58.000 0.359 0.000 0.915 312 F CB 0.969 40.120 39.000 0.252 0.000 1.186 312 F HN -0.264 nan 8.300 nan 0.000 0.456 313 P HA 0.211 nan 4.420 nan 0.000 0.277 313 P C -0.962 176.722 177.300 0.639 0.000 1.240 313 P CA -0.645 62.802 63.100 0.578 0.000 0.798 313 P CB 1.036 33.049 31.700 0.522 0.000 0.979 314 R N 1.300 122.113 120.500 0.522 0.000 2.582 314 R HA 0.301 4.642 4.340 0.002 0.000 0.271 314 R C -0.167 176.390 176.300 0.428 0.000 1.078 314 R CA -0.649 55.707 56.100 0.427 0.000 1.127 314 R CB 0.408 30.798 30.300 0.149 0.000 1.038 314 R HN 0.284 nan 8.270 nan 0.000 0.500 315 K N 1.764 122.291 120.400 0.211 0.000 2.511 315 K HA -0.097 4.224 4.320 0.002 0.000 0.280 315 K C -0.425 176.138 176.600 -0.062 0.000 1.008 315 K CA 0.525 56.609 56.287 -0.338 0.000 1.050 315 K CB 0.242 32.525 32.500 -0.362 0.000 0.889 315 K HN 0.536 nan 8.250 nan 0.000 0.484 316 F N 4.064 123.864 119.950 -0.250 0.000 2.735 316 F HA 0.160 4.688 4.527 0.002 0.000 0.308 316 F C -0.691 175.190 175.800 0.135 0.000 1.112 316 F CA -0.695 57.310 58.000 0.009 0.000 1.235 316 F CB 0.452 39.481 39.000 0.050 0.000 1.027 316 F HN 0.493 nan 8.300 nan 0.000 0.528 317 Y N -0.926 119.391 120.300 0.028 0.000 2.602 317 Y HA 0.826 5.378 4.550 0.002 0.000 0.330 317 Y C -0.536 175.409 175.900 0.075 0.000 1.114 317 Y CA -1.341 56.819 58.100 0.099 0.000 1.182 317 Y CB 0.682 39.212 38.460 0.117 0.000 1.305 317 Y HN -0.001 nan 8.280 nan 0.000 0.502 318 E N 0.724 121.082 120.200 0.264 0.000 2.410 318 E HA 0.476 4.827 4.350 0.002 0.000 0.269 318 E C -1.826 174.914 176.600 0.233 0.000 0.937 318 E CA -1.232 55.257 56.400 0.148 0.000 0.793 318 E CB 2.208 31.961 29.700 0.090 0.000 1.314 318 E HN 0.361 nan 8.360 nan 0.000 0.447 319 L N 2.466 123.785 121.223 0.160 0.000 2.289 319 L HA 0.252 4.593 4.340 0.002 0.000 0.285 319 L C -0.039 176.889 176.870 0.097 0.000 1.049 319 L CA -0.332 54.599 54.840 0.151 0.000 0.804 319 L CB 0.626 42.768 42.059 0.138 0.000 1.195 319 L HN 0.580 nan 8.230 nan 0.000 0.428 320 D N 1.960 122.407 120.400 0.078 0.000 2.478 320 D HA 0.274 4.915 4.640 0.002 0.000 0.269 320 D C 1.009 177.336 176.300 0.046 0.000 1.232 320 D CA -0.038 53.993 54.000 0.052 0.000 1.059 320 D CB 0.479 41.300 40.800 0.036 0.000 1.104 320 D HN 0.452 nan 8.370 nan 0.000 0.566 321 A N -0.288 122.552 122.820 0.034 0.000 2.024 321 A HA -0.199 4.122 4.320 0.002 0.000 0.220 321 A C 1.380 178.984 177.584 0.032 0.000 1.164 321 A CA 1.207 53.263 52.037 0.031 0.000 0.643 321 A CB -0.709 18.305 19.000 0.024 0.000 0.806 321 A HN 0.557 nan 8.150 nan 0.000 0.451 322 N N -0.780 117.938 118.700 0.031 0.000 2.276 322 N HA 0.217 4.959 4.740 0.002 0.000 0.212 322 N C 0.961 176.496 175.510 0.041 0.000 1.127 322 N CA 0.831 53.900 53.050 0.032 0.000 0.834 322 N CB 0.414 38.916 38.487 0.024 0.000 1.014 322 N HN 0.593 nan 8.380 nan 0.000 0.491 323 G N 0.796 109.627 108.800 0.052 0.000 2.160 323 G HA2 -0.253 3.708 3.960 0.002 0.000 0.251 323 G HA3 -0.253 3.708 3.960 0.002 0.000 0.251 323 G C -0.135 174.806 174.900 0.069 0.000 1.008 323 G CA 0.029 45.171 45.100 0.070 0.000 0.724 323 G HN 0.214 nan 8.290 nan 0.000 0.514 324 Q N 0.202 120.029 119.800 0.045 0.000 2.230 324 Q HA 0.472 4.814 4.340 0.002 0.000 0.248 324 Q C -2.285 173.719 176.000 0.006 0.000 0.915 324 Q CA -2.378 53.430 55.803 0.009 0.000 0.900 324 Q CB 1.520 30.252 28.738 -0.010 0.000 1.229 324 Q HN 0.299 nan 8.270 nan 0.000 0.439 325 P HA 0.221 nan 4.420 nan 0.000 0.276 325 P C -0.445 176.830 177.300 -0.041 0.000 1.235 325 P CA 0.061 63.081 63.100 -0.135 0.000 0.772 325 P CB 0.480 31.710 31.700 -0.784 0.000 0.871 326 I N 0.672 121.324 120.570 0.137 0.000 3.264 326 I HA 0.724 4.895 4.170 0.002 0.000 0.315 326 I C -0.882 175.422 176.117 0.311 0.000 1.154 326 I CA -1.089 60.297 61.300 0.144 0.000 0.962 326 I CB 2.715 40.749 38.000 0.057 0.000 1.265 326 I HN 0.411 nan 8.210 nan 0.000 0.463 327 H N 0.514 119.677 119.070 0.155 0.000 3.094 327 H HA 0.268 4.825 4.556 0.002 0.000 0.346 327 H C -2.332 173.146 175.328 0.250 0.000 1.238 327 H CA -0.770 55.413 56.048 0.226 0.000 1.209 327 H CB 0.896 30.838 29.762 0.300 0.000 1.911 327 H HN 0.840 nan 8.280 nan 0.000 0.540 328 Y N 2.208 122.644 120.300 0.226 0.000 2.402 328 Y HA 0.268 4.819 4.550 0.002 0.000 0.333 328 Y C 0.264 176.395 175.900 0.385 0.000 1.076 328 Y CA 0.069 58.303 58.100 0.225 0.000 1.299 328 Y CB 0.965 39.583 38.460 0.265 0.000 1.197 328 Y HN 0.666 nan 8.280 nan 0.000 0.517 329 S N 8.388 123.966 115.700 -0.204 0.000 2.474 329 S HA 0.264 4.736 4.470 0.002 0.000 0.276 329 S C -1.712 172.595 174.600 -0.487 0.000 1.227 329 S CA -1.485 56.671 58.200 -0.074 0.000 1.050 329 S CB 0.664 63.874 63.200 0.017 0.000 0.939 329 S HN 0.695 nan 8.310 nan 0.000 0.490 330 P HA 0.069 nan 4.420 nan 0.000 0.245 330 P C 0.022 176.949 177.300 -0.621 0.000 1.212 330 P CA 0.444 63.259 63.100 -0.474 0.000 0.774 330 P CB -0.091 31.142 31.700 -0.777 0.000 0.999 331 Y N 1.430 121.607 120.300 -0.204 0.000 2.396 331 Y HA 0.046 4.597 4.550 0.002 0.000 0.292 331 Y C 2.080 177.920 175.900 -0.100 0.000 1.128 331 Y CA 1.220 59.227 58.100 -0.156 0.000 1.194 331 Y CB -0.613 37.767 38.460 -0.134 0.000 1.124 331 Y HN 0.097 nan 8.280 nan 0.000 0.543 332 N N -1.767 116.939 118.700 0.011 0.000 2.166 332 N HA 0.220 4.961 4.740 0.002 0.000 0.213 332 N C 1.339 176.795 175.510 -0.091 0.000 1.222 332 N CA 0.696 53.735 53.050 -0.019 0.000 0.900 332 N CB 0.750 39.240 38.487 0.004 0.000 1.055 332 N HN 0.243 nan 8.380 nan 0.000 0.515 333 G N -0.186 108.457 108.800 -0.261 0.000 2.176 333 G HA2 -0.322 3.639 3.960 0.002 0.000 0.253 333 G HA3 -0.322 3.639 3.960 0.002 0.000 0.253 333 G C -0.177 174.605 174.900 -0.195 0.000 0.979 333 G CA 0.402 45.301 45.100 -0.335 0.000 0.641 333 G HN 0.500 nan 8.290 nan 0.000 0.530 334 Q N -0.648 119.061 119.800 -0.152 0.000 2.396 334 Q HA 0.569 4.911 4.340 0.002 0.000 0.221 334 Q C 0.091 176.042 176.000 -0.080 0.000 1.025 334 Q CA -0.267 55.492 55.803 -0.072 0.000 0.946 334 Q CB 1.586 30.288 28.738 -0.061 0.000 1.224 334 Q HN 0.202 nan 8.270 nan 0.000 0.539 335 V N 2.440 122.333 119.914 -0.035 0.000 2.370 335 V HA 0.432 4.554 4.120 0.002 0.000 0.283 335 V C -0.448 175.563 176.094 -0.138 0.000 1.023 335 V CA -0.414 61.856 62.300 -0.050 0.000 0.857 335 V CB 0.760 32.594 31.823 0.019 0.000 0.985 335 V HN 0.488 nan 8.190 nan 0.000 0.443 336 L N 6.848 127.879 121.223 -0.321 0.000 2.371 336 L HA 0.641 4.982 4.340 0.002 0.000 0.262 336 L C -2.549 174.124 176.870 -0.328 0.000 1.006 336 L CA -1.975 52.676 54.840 -0.314 0.000 0.818 336 L CB 3.046 44.937 42.059 -0.279 0.000 1.354 336 L HN 0.387 nan 8.230 nan 0.000 0.415 337 P HA 0.428 nan 4.420 nan 0.000 0.274 337 P C -0.038 177.316 177.300 0.089 0.000 1.237 337 P CA 0.204 63.283 63.100 -0.035 0.000 0.793 337 P CB 1.266 32.949 31.700 -0.028 0.000 0.977 338 G N -0.169 108.657 108.800 0.044 0.000 2.462 338 G HA2 -0.065 3.897 3.960 0.002 0.000 0.685 338 G HA3 -0.065 3.897 3.960 0.002 0.000 0.685 338 G C -1.411 173.400 174.900 -0.150 0.000 1.295 338 G CA -0.958 44.101 45.100 -0.068 0.000 0.941 338 G HN 0.304 nan 8.290 nan 0.000 0.554 339 Y N -0.815 119.452 120.300 -0.055 0.000 2.299 339 Y HA 0.728 5.279 4.550 0.002 0.000 0.335 339 Y C 0.972 176.795 175.900 -0.128 0.000 1.287 339 Y CA 0.460 58.467 58.100 -0.155 0.000 1.424 339 Y CB 1.392 39.852 38.460 0.001 0.000 1.326 339 Y HN 0.900 nan 8.280 nan 0.000 0.567 340 M N 1.957 121.710 119.600 0.254 0.000 2.415 340 M HA 0.484 4.966 4.480 0.002 0.000 0.292 340 M C -2.468 174.035 176.300 0.338 0.000 1.107 340 M CA -0.690 54.733 55.300 0.204 0.000 0.927 340 M CB 0.943 33.444 32.600 -0.166 0.000 1.808 340 M HN 0.391 nan 8.290 nan 0.000 0.509 341 F N 0.659 120.798 119.950 0.316 0.000 2.675 341 F HA 0.952 5.480 4.527 0.002 0.000 0.324 341 F C 0.263 176.184 175.800 0.202 0.000 1.106 341 F CA -0.370 57.828 58.000 0.330 0.000 0.970 341 F CB 2.345 41.529 39.000 0.306 0.000 1.385 341 F HN 0.676 nan 8.300 nan 0.000 0.489 342 T N -1.270 113.509 114.554 0.376 0.000 2.658 342 T HA 0.348 4.699 4.350 0.002 0.000 0.305 342 T C -2.125 172.748 174.700 0.289 0.000 1.551 342 T CA -0.467 61.738 62.100 0.174 0.000 0.985 342 T CB 0.934 69.674 68.868 -0.213 0.000 1.731 342 T HN 0.626 nan 8.240 nan 0.000 0.486 343 D N 0.671 121.222 120.400 0.252 0.000 2.767 343 D HA -0.090 4.551 4.640 0.002 0.000 0.239 343 D C -0.550 175.953 176.300 0.338 0.000 1.103 343 D CA 1.502 55.750 54.000 0.414 0.000 0.710 343 D CB -1.354 39.777 40.800 0.551 0.000 1.084 343 D HN 0.605 nan 8.370 nan 0.000 0.435 344 T N -1.083 113.482 114.554 0.019 0.000 2.916 344 T HA 0.626 4.977 4.350 0.002 0.000 0.305 344 T C -0.286 173.701 174.700 -1.190 0.000 1.119 344 T CA 0.015 61.913 62.100 -0.336 0.000 1.008 344 T CB 1.724 70.656 68.868 0.107 0.000 1.129 344 T HN 0.141 nan 8.240 nan 0.000 0.480 345 G N 2.681 110.421 108.800 -1.767 0.000 2.415 345 G HA2 0.518 4.479 3.960 0.002 0.000 0.317 345 G HA3 0.518 4.479 3.960 0.002 0.000 0.317 345 G C 0.459 175.050 174.900 -0.514 0.000 1.152 345 G CA -0.531 43.345 45.100 -2.040 0.000 0.956 345 G HN 0.644 nan 8.290 nan 0.000 0.458 346 F N 0.960 120.794 119.950 -0.193 0.000 2.494 346 F HA 0.033 4.561 4.527 0.002 0.000 0.298 346 F C 1.868 177.849 175.800 0.303 0.000 1.106 346 F CA -0.287 57.754 58.000 0.067 0.000 1.452 346 F CB -0.244 38.773 39.000 0.028 0.000 1.085 346 F HN 0.767 nan 8.300 nan 0.000 0.569 347 W N 1.376 122.842 121.300 0.277 0.000 2.436 347 W HA -0.135 4.526 4.660 0.002 0.000 0.284 347 W C 1.835 178.525 176.519 0.285 0.000 1.225 347 W CA 1.560 59.132 57.345 0.379 0.000 1.271 347 W CB -0.129 29.523 29.460 0.321 0.000 1.114 347 W HN -0.128 nan 8.180 nan 0.000 0.559 348 D N -0.699 119.906 120.400 0.342 0.000 2.106 348 D HA -0.147 4.494 4.640 0.002 0.000 0.203 348 D C 2.168 178.451 176.300 -0.027 0.000 0.977 348 D CA 2.621 56.671 54.000 0.083 0.000 0.844 348 D CB -0.980 39.940 40.800 0.199 0.000 1.002 348 D HN 0.226 nan 8.370 nan 0.000 0.461 349 T N -0.557 114.093 114.554 0.161 0.000 3.088 349 T HA -0.039 4.312 4.350 0.002 0.000 0.259 349 T C 1.952 176.822 174.700 0.283 0.000 1.122 349 T CA -0.004 62.247 62.100 0.252 0.000 1.095 349 T CB -0.730 68.403 68.868 0.441 0.000 0.930 349 T HN 0.235 nan 8.240 nan 0.000 0.508 350 F N 2.057 122.091 119.950 0.140 0.000 2.293 350 F HA 0.219 4.748 4.527 0.003 0.000 0.300 350 F C 2.228 178.003 175.800 -0.042 0.000 1.086 350 F CA -0.035 57.964 58.000 -0.002 0.000 1.375 350 F CB -0.410 38.534 39.000 -0.095 0.000 1.045 350 F HN -0.051 nan 8.300 nan 0.000 0.516 351 R N 0.458 120.370 120.500 -0.980 0.000 2.070 351 R HA -0.118 4.224 4.340 0.002 0.000 0.232 351 R C 1.979 178.053 176.300 -0.376 0.000 1.138 351 R CA 2.129 57.683 56.100 -0.910 0.000 0.936 351 R CB -0.862 28.965 30.300 -0.789 0.000 0.839 351 R HN 0.651 nan 8.270 nan 0.000 0.429 352 C N -2.402 116.799 119.300 -0.165 0.000 4.154 352 C HA 0.364 4.825 4.460 0.002 0.000 0.359 352 C C 1.826 176.926 174.990 0.185 0.000 1.702 352 C CA -0.898 58.047 59.018 -0.121 0.000 1.900 352 C CB -0.524 27.030 27.740 -0.310 0.000 3.051 352 C HN 0.367 nan 8.230 nan 0.000 0.670 353 L N 0.862 122.189 121.223 0.173 0.000 2.034 353 L HA 0.218 4.559 4.340 0.002 0.000 0.203 353 L C 2.201 179.163 176.870 0.152 0.000 1.074 353 L CA 2.143 57.092 54.840 0.181 0.000 0.748 353 L CB -1.168 40.969 42.059 0.129 0.000 0.905 353 L HN 0.331 nan 8.230 nan 0.000 0.439 354 F N 0.817 120.848 119.950 0.135 0.000 2.216 354 F HA -0.083 4.446 4.527 0.002 0.000 0.300 354 F C -0.345 175.531 175.800 0.128 0.000 1.085 354 F CA 1.444 59.507 58.000 0.106 0.000 1.326 354 F CB -1.687 37.324 39.000 0.018 0.000 1.027 354 F HN 0.217 nan 8.300 nan 0.000 0.497 355 P HA -0.191 nan 4.420 nan 0.000 0.216 355 P C 1.901 179.488 177.300 0.479 0.000 1.150 355 P CA 1.087 64.359 63.100 0.287 0.000 0.837 355 P CB -0.025 31.755 31.700 0.132 0.000 0.786 356 L N -0.911 120.632 121.223 0.533 0.000 2.083 356 L HA -0.142 4.199 4.340 0.002 0.000 0.209 356 L C 2.075 179.147 176.870 0.337 0.000 1.083 356 L CA 1.786 56.844 54.840 0.363 0.000 0.752 356 L CB -1.295 40.870 42.059 0.176 0.000 0.899 356 L HN -0.108 nan 8.230 nan 0.000 0.433 357 L N -0.833 120.583 121.223 0.321 0.000 2.056 357 L HA -0.190 4.152 4.340 0.002 0.000 0.207 357 L C 2.081 179.129 176.870 0.297 0.000 1.078 357 L CA 1.694 56.736 54.840 0.336 0.000 0.749 357 L CB -0.771 41.379 42.059 0.152 0.000 0.901 357 L HN 0.381 nan 8.230 nan 0.000 0.433 358 N N -0.146 118.716 118.700 0.270 0.000 2.381 358 N HA -0.176 4.565 4.740 0.002 0.000 0.182 358 N C 1.658 177.398 175.510 0.384 0.000 1.025 358 N CA 0.585 53.780 53.050 0.243 0.000 0.888 358 N CB 0.063 38.620 38.487 0.116 0.000 0.965 358 N HN 0.172 nan 8.380 nan 0.000 0.438 359 L N -0.143 121.339 121.223 0.431 0.000 2.084 359 L HA 0.128 4.469 4.340 0.002 0.000 0.202 359 L C 1.566 178.666 176.870 0.383 0.000 1.074 359 L CA 1.470 56.600 54.840 0.484 0.000 0.757 359 L CB -0.060 42.267 42.059 0.447 0.000 0.918 359 L HN 0.084 nan 8.230 nan 0.000 0.444 360 M N -1.571 118.112 119.600 0.139 0.000 2.492 360 M HA 0.163 4.644 4.480 0.002 0.000 0.255 360 M C -0.141 175.826 176.300 -0.554 0.000 1.139 360 M CA 0.632 55.775 55.300 -0.262 0.000 1.096 360 M CB -0.259 31.955 32.600 -0.643 0.000 1.360 360 M HN 0.222 nan 8.290 nan 0.000 0.480 361 Y N -1.447 118.985 120.300 0.221 0.000 2.624 361 Y HA 0.307 4.858 4.550 0.002 0.000 0.302 361 Y C -1.846 174.102 175.900 0.080 0.000 0.939 361 Y CA -1.836 56.355 58.100 0.151 0.000 1.116 361 Y CB -0.346 38.219 38.460 0.174 0.000 1.173 361 Y HN 0.059 nan 8.280 nan 0.000 0.631 362 P HA -0.220 nan 4.420 nan 0.000 0.216 362 P C 1.800 179.140 177.300 0.066 0.000 1.150 362 P CA 2.345 65.537 63.100 0.154 0.000 0.843 362 P CB 0.223 32.042 31.700 0.198 0.000 0.787 363 S N -1.453 114.283 115.700 0.061 0.000 2.423 363 S HA -0.089 4.382 4.470 0.002 0.000 0.231 363 S C 1.938 176.495 174.600 -0.071 0.000 1.014 363 S CA 1.156 59.360 58.200 0.007 0.000 0.965 363 S CB -1.647 61.574 63.200 0.035 0.000 0.785 363 S HN -0.032 nan 8.310 nan 0.000 0.495 364 V N 2.813 122.661 119.914 -0.108 0.000 2.323 364 V HA -0.097 4.024 4.120 0.002 0.000 0.244 364 V C 2.725 178.593 176.094 -0.378 0.000 1.041 364 V CA 2.004 64.102 62.300 -0.338 0.000 1.025 364 V CB -1.214 30.184 31.823 -0.709 0.000 0.656 364 V HN 0.525 nan 8.190 nan 0.000 0.451 365 N N 0.458 119.017 118.700 -0.234 0.000 2.364 365 N HA -0.182 4.559 4.740 0.002 0.000 0.183 365 N C 1.642 177.058 175.510 -0.157 0.000 1.022 365 N CA 1.104 54.051 53.050 -0.171 0.000 0.883 365 N CB -0.226 38.266 38.487 0.008 0.000 0.965 365 N HN 0.404 nan 8.380 nan 0.000 0.438 366 K N 1.301 121.618 120.400 -0.138 0.000 2.032 366 K HA -0.107 4.214 4.320 0.002 0.000 0.209 366 K C 1.513 177.991 176.600 -0.204 0.000 1.048 366 K CA 1.648 57.861 56.287 -0.123 0.000 0.927 366 K CB -0.297 32.151 32.500 -0.088 0.000 0.712 366 K HN 0.333 nan 8.250 nan 0.000 0.441 367 E N -0.256 119.735 120.200 -0.348 0.000 2.153 367 E HA -0.166 4.185 4.350 0.002 0.000 0.194 367 E C 2.106 178.535 176.600 -0.285 0.000 0.988 367 E CA 1.449 57.532 56.400 -0.527 0.000 0.811 367 E CB -0.182 29.173 29.700 -0.576 0.000 0.746 367 E HN 0.365 nan 8.360 nan 0.000 0.466 368 M N 0.515 119.780 119.600 -0.559 0.000 2.132 368 M HA -0.175 4.307 4.480 0.002 0.000 0.263 368 M C 2.259 178.495 176.300 -0.106 0.000 1.065 368 M CA 1.243 56.200 55.300 -0.573 0.000 1.122 368 M CB 0.059 32.361 32.600 -0.497 0.000 1.365 368 M HN -0.004 nan 8.290 nan 0.000 0.411 369 Q N 0.193 119.939 119.800 -0.089 0.000 2.049 369 Q HA -0.119 4.222 4.340 0.002 0.000 0.198 369 Q C 1.949 177.984 176.000 0.058 0.000 0.971 369 Q CA 1.144 56.925 55.803 -0.036 0.000 0.833 369 Q CB -0.538 28.164 28.738 -0.059 0.000 0.896 369 Q HN 0.471 nan 8.270 nan 0.000 0.434 370 E N 0.440 120.685 120.200 0.076 0.000 2.086 370 E HA -0.164 4.187 4.350 0.002 0.000 0.200 370 E C 2.050 178.792 176.600 0.237 0.000 1.012 370 E CA 1.440 57.947 56.400 0.178 0.000 0.812 370 E CB -0.593 29.266 29.700 0.265 0.000 0.743 370 E HN 0.513 nan 8.360 nan 0.000 0.453 371 G N 1.055 110.024 108.800 0.282 0.000 2.442 371 G HA2 -0.226 3.735 3.960 0.002 0.000 0.219 371 G HA3 -0.226 3.735 3.960 0.002 0.000 0.219 371 G C 1.764 176.831 174.900 0.279 0.000 1.141 371 G CA 0.684 45.986 45.100 0.337 0.000 0.763 371 G HN 0.186 nan 8.290 nan 0.000 0.554 372 L N 0.310 121.684 121.223 0.252 0.000 2.056 372 L HA -0.019 4.322 4.340 0.002 0.000 0.207 372 L C 2.816 179.951 176.870 0.441 0.000 1.078 372 L CA 0.274 55.305 54.840 0.319 0.000 0.749 372 L CB -0.360 41.802 42.059 0.172 0.000 0.901 372 L HN 0.099 nan 8.230 nan 0.000 0.433 373 I N 0.496 121.297 120.570 0.386 0.000 2.151 373 I HA -0.344 3.827 4.170 0.002 0.000 0.243 373 I C 2.071 178.325 176.117 0.227 0.000 1.080 373 I CA 1.892 63.413 61.300 0.369 0.000 1.339 373 I CB -1.346 36.806 38.000 0.254 0.000 1.039 373 I HN 0.404 nan 8.210 nan 0.000 0.409 374 N N -0.116 118.698 118.700 0.190 0.000 2.166 374 N HA -0.156 4.585 4.740 0.002 0.000 0.186 374 N C 1.685 177.232 175.510 0.062 0.000 1.019 374 N CA 1.805 54.935 53.050 0.135 0.000 0.856 374 N CB -0.094 38.486 38.487 0.154 0.000 0.993 374 N HN 0.330 nan 8.380 nan 0.000 0.426 375 T N -0.068 114.514 114.554 0.047 0.000 2.720 375 T HA -0.217 4.134 4.350 0.002 0.000 0.268 375 T C 1.593 176.127 174.700 -0.277 0.000 1.037 375 T CA 1.201 63.139 62.100 -0.271 0.000 1.144 375 T CB -0.443 68.312 68.868 -0.187 0.000 0.864 375 T HN 0.357 nan 8.240 nan 0.000 0.444 376 Y N 1.593 121.733 120.300 -0.268 0.000 2.200 376 Y HA 0.041 4.592 4.550 0.002 0.000 0.290 376 Y C 1.971 177.667 175.900 -0.338 0.000 1.137 376 Y CA 0.811 58.637 58.100 -0.457 0.000 1.163 376 Y CB -0.595 37.274 38.460 -0.985 0.000 0.988 376 Y HN 0.127 nan 8.280 nan 0.000 0.518 377 L N 0.000 120.974 121.223 -0.414 0.000 2.079 377 L HA -0.213 4.128 4.340 0.002 0.000 0.210 377 L C 2.035 178.716 176.870 -0.315 0.000 1.081 377 L CA 1.918 56.509 54.840 -0.415 0.000 0.752 377 L CB -0.407 41.554 42.059 -0.163 0.000 0.896 377 L HN 0.293 nan 8.230 nan 0.000 0.433 378 E N -1.199 118.876 120.200 -0.209 0.000 2.400 378 E HA -0.068 4.284 4.350 0.002 0.000 0.195 378 E C 1.866 178.410 176.600 -0.094 0.000 1.012 378 E CA 0.931 57.270 56.400 -0.101 0.000 0.875 378 E CB 0.342 30.062 29.700 0.034 0.000 0.859 378 E HN 0.445 nan 8.360 nan 0.000 0.498 379 S N -2.259 113.337 115.700 -0.174 0.000 2.631 379 S HA 0.312 4.783 4.470 0.002 0.000 0.246 379 S C 1.578 176.200 174.600 0.038 0.000 1.068 379 S CA 0.344 58.552 58.200 0.014 0.000 0.995 379 S CB 1.123 64.357 63.200 0.056 0.000 0.944 379 S HN 0.264 nan 8.310 nan 0.000 0.529 380 G N 0.596 109.240 108.800 -0.261 0.000 2.234 380 G HA2 -0.172 3.790 3.960 0.002 0.000 0.235 380 G HA3 -0.172 3.790 3.960 0.002 0.000 0.235 380 G C -0.165 174.438 174.900 -0.494 0.000 0.997 380 G CA 0.180 44.977 45.100 -0.505 0.000 0.623 380 G HN 0.527 nan 8.290 nan 0.000 0.514 381 F N -0.012 119.976 119.950 0.064 0.000 2.576 381 F HA 0.760 5.289 4.527 0.002 0.000 0.313 381 F C 0.273 176.132 175.800 0.099 0.000 1.078 381 F CA -1.526 56.550 58.000 0.127 0.000 0.921 381 F CB 1.110 40.139 39.000 0.048 0.000 1.232 381 F HN -0.058 nan 8.300 nan 0.000 0.459 382 F N 3.488 123.619 119.950 0.302 0.000 2.553 382 F HA 0.227 4.755 4.527 0.002 0.000 0.356 382 F C -1.780 174.186 175.800 0.276 0.000 1.142 382 F CA -1.726 56.401 58.000 0.213 0.000 1.322 382 F CB -0.281 38.758 39.000 0.065 0.000 1.126 382 F HN 0.145 nan 8.300 nan 0.000 0.599 383 P HA 0.211 nan 4.420 nan 0.000 0.278 383 P C -0.359 177.084 177.300 0.238 0.000 1.258 383 P CA -0.203 63.152 63.100 0.425 0.000 0.811 383 P CB 1.736 33.655 31.700 0.366 0.000 1.063 384 E N -0.254 120.002 120.200 0.095 0.000 2.756 384 E HA 0.106 4.457 4.350 0.002 0.000 0.192 384 E C -0.248 176.230 176.600 -0.204 0.000 1.022 384 E CA 0.678 57.100 56.400 0.038 0.000 1.224 384 E CB -0.159 29.644 29.700 0.171 0.000 1.252 384 E HN 0.464 nan 8.360 nan 0.000 0.494 385 W N 0.777 122.045 121.300 -0.052 0.000 2.478 385 W HA 0.586 5.247 4.660 0.002 0.000 0.318 385 W C -0.743 175.752 176.519 -0.041 0.000 1.062 385 W CA -0.346 56.962 57.345 -0.062 0.000 1.210 385 W CB 1.615 31.072 29.460 -0.005 0.000 1.325 385 W HN 0.027 nan 8.180 nan 0.000 0.496 386 A N 2.926 125.975 122.820 0.381 0.000 2.398 386 A HA 0.702 5.023 4.320 0.002 0.000 0.301 386 A C -0.833 176.878 177.584 0.211 0.000 1.041 386 A CA -0.535 51.617 52.037 0.191 0.000 0.711 386 A CB 1.905 20.945 19.000 0.066 0.000 1.240 386 A HN 0.379 nan 8.150 nan 0.000 0.420 387 S N 3.330 119.009 115.700 -0.035 0.000 2.862 387 S HA 0.372 4.843 4.470 0.002 0.000 0.148 387 S C -2.600 171.702 174.600 -0.497 0.000 0.829 387 S CA -0.242 57.885 58.200 -0.123 0.000 0.991 387 S CB 0.855 64.117 63.200 0.103 0.000 1.607 387 S HN 0.476 nan 8.310 nan 0.000 0.474 388 P HA 0.257 nan 4.420 nan 0.000 0.228 388 P C 1.030 177.831 177.300 -0.832 0.000 1.166 388 P CA 0.538 63.065 63.100 -0.956 0.000 0.812 388 P CB 0.053 30.939 31.700 -1.355 0.000 0.857 389 G N -0.480 107.867 108.800 -0.755 0.000 2.583 389 G HA2 0.203 4.164 3.960 0.002 0.000 0.280 389 G HA3 0.203 4.164 3.960 0.002 0.000 0.280 389 G C -0.582 174.114 174.900 -0.340 0.000 1.376 389 G CA -0.387 44.224 45.100 -0.816 0.000 1.043 389 G HN 0.079 nan 8.290 nan 0.000 0.538 390 H N 0.834 119.896 119.070 -0.014 0.000 3.070 390 H HA 0.190 4.747 4.556 0.002 0.000 0.313 390 H C 0.337 175.600 175.328 -0.107 0.000 0.997 390 H CA 0.516 56.545 56.048 -0.032 0.000 1.438 390 H CB 0.408 30.075 29.762 -0.159 0.000 1.455 390 H HN 0.124 nan 8.280 nan 0.000 0.575 391 R N 1.455 122.006 120.500 0.085 0.000 2.750 391 R HA 0.340 4.681 4.340 0.002 0.000 0.281 391 R C 0.326 176.626 176.300 0.000 0.000 0.972 391 R CA -0.977 55.120 56.100 -0.006 0.000 0.912 391 R CB 2.042 32.309 30.300 -0.055 0.000 1.187 391 R HN 0.782 nan 8.270 nan 0.000 0.464 392 G N 0.611 109.380 108.800 -0.051 0.000 2.448 392 G HA2 0.391 4.352 3.960 0.002 0.000 0.309 392 G HA3 0.391 4.352 3.960 0.002 0.000 0.309 392 G C -0.536 174.323 174.900 -0.067 0.000 1.027 392 G CA -0.114 44.962 45.100 -0.040 0.000 1.104 392 G HN 0.494 nan 8.290 nan 0.000 0.428 393 C N 5.419 124.700 119.300 -0.032 0.000 3.094 393 C HA 0.599 5.061 4.460 0.002 0.000 0.414 393 C C -0.203 174.822 174.990 0.059 0.000 0.993 393 C CA -0.587 58.377 59.018 -0.089 0.000 1.217 393 C CB 0.164 27.663 27.740 -0.401 0.000 1.603 393 C HN 1.026 nan 8.230 nan 0.000 0.564 394 M N 3.129 122.690 119.600 -0.065 0.000 7.319 394 M HA -0.120 4.361 4.480 0.002 0.000 0.129 394 M C -0.051 176.199 176.300 -0.085 0.000 0.480 394 M CA 1.781 56.952 55.300 -0.216 0.000 1.311 394 M CB -2.124 30.311 32.600 -0.276 0.000 0.421 394 M HN 1.902 nan 8.290 nan 0.000 0.500 395 V N -3.159 116.704 119.914 -0.085 0.000 3.181 395 V HA 1.035 5.157 4.120 0.002 0.000 0.307 395 V C 0.221 176.547 176.094 0.387 0.000 1.310 395 V CA 0.661 63.047 62.300 0.142 0.000 1.067 395 V CB 1.228 33.107 31.823 0.094 0.000 1.081 395 V HN 2.719 nan 8.190 nan 0.000 0.453 396 G N 0.771 109.797 108.800 0.377 0.000 2.756 396 G HA2 -0.150 3.812 3.960 0.002 0.000 0.678 396 G HA3 -0.150 3.812 3.960 0.002 0.000 0.678 396 G C -0.339 174.795 174.900 0.391 0.000 1.349 396 G CA 0.158 45.535 45.100 0.462 0.000 0.847 396 G HN 1.808 nan 8.290 nan 0.000 0.548 397 N N -0.178 118.680 118.700 0.264 0.000 2.553 397 N HA 0.131 4.873 4.740 0.002 0.000 0.298 397 N C 1.006 176.495 175.510 -0.035 0.000 1.596 397 N CA 0.118 53.209 53.050 0.069 0.000 0.910 397 N CB -0.075 38.340 38.487 -0.121 0.000 1.336 397 N HN 0.490 nan 8.380 nan 0.000 0.497 398 N N -0.456 118.245 118.700 0.003 0.000 2.550 398 N HA -0.119 4.622 4.740 0.002 0.000 0.186 398 N C 1.859 177.202 175.510 -0.277 0.000 1.110 398 N CA 0.677 53.587 53.050 -0.234 0.000 0.912 398 N CB 0.263 38.586 38.487 -0.274 0.000 0.968 398 N HN 0.318 nan 8.380 nan 0.000 0.448 399 S N 0.601 116.227 115.700 -0.123 0.000 2.387 399 S HA -0.236 4.236 4.470 0.002 0.000 0.230 399 S C 2.147 176.437 174.600 -0.516 0.000 1.035 399 S CA 1.014 58.985 58.200 -0.382 0.000 1.014 399 S CB -0.558 62.632 63.200 -0.016 0.000 0.836 399 S HN 0.386 nan 8.310 nan 0.000 0.466 400 A N 1.560 124.136 122.820 -0.407 0.000 1.940 400 A HA -0.069 4.252 4.320 0.002 0.000 0.219 400 A C 2.468 179.746 177.584 -0.510 0.000 1.176 400 A CA 2.029 53.788 52.037 -0.463 0.000 0.631 400 A CB -1.280 17.468 19.000 -0.419 0.000 0.814 400 A HN 0.641 nan 8.150 nan 0.000 0.446 401 S N -0.471 114.909 115.700 -0.532 0.000 2.357 401 S HA -0.106 4.365 4.470 0.002 0.000 0.221 401 S C 1.950 176.328 174.600 -0.369 0.000 1.031 401 S CA 1.228 59.155 58.200 -0.455 0.000 0.982 401 S CB -0.441 62.496 63.200 -0.438 0.000 0.853 401 S HN 0.359 nan 8.310 nan 0.000 0.458 402 I N 2.104 122.370 120.570 -0.507 0.000 2.091 402 I HA -0.192 3.979 4.170 0.002 0.000 0.239 402 I C 2.444 178.242 176.117 -0.531 0.000 1.061 402 I CA 1.435 62.346 61.300 -0.649 0.000 1.317 402 I CB -1.724 35.528 38.000 -1.247 0.000 1.031 402 I HN 0.363 nan 8.210 nan 0.000 0.401 403 L N -0.099 120.775 121.223 -0.583 0.000 2.017 403 L HA -0.198 4.144 4.340 0.002 0.000 0.208 403 L C 2.644 179.316 176.870 -0.331 0.000 1.073 403 L CA 1.028 55.572 54.840 -0.494 0.000 0.745 403 L CB -0.735 40.932 42.059 -0.653 0.000 0.894 403 L HN 0.036 nan 8.230 nan 0.000 0.432 404 V N -0.382 119.324 119.914 -0.346 0.000 2.379 404 V HA -0.265 3.856 4.120 0.002 0.000 0.245 404 V C 2.135 178.117 176.094 -0.187 0.000 1.044 404 V CA 1.932 64.067 62.300 -0.275 0.000 1.036 404 V CB -0.469 31.137 31.823 -0.360 0.000 0.664 404 V HN 0.462 nan 8.190 nan 0.000 0.453 405 D N 0.447 120.730 120.400 -0.194 0.000 2.097 405 D HA -0.160 4.481 4.640 0.002 0.000 0.195 405 D C 2.132 178.353 176.300 -0.133 0.000 0.989 405 D CA 1.584 55.497 54.000 -0.144 0.000 0.827 405 D CB -0.166 40.571 40.800 -0.104 0.000 0.966 405 D HN 0.340 nan 8.370 nan 0.000 0.456 406 A N -0.293 122.454 122.820 -0.123 0.000 1.859 406 A HA -0.266 4.055 4.320 0.002 0.000 0.218 406 A C 2.327 179.863 177.584 -0.079 0.000 1.209 406 A CA 2.001 53.985 52.037 -0.089 0.000 0.639 406 A CB -1.687 17.257 19.000 -0.094 0.000 0.835 406 A HN 0.529 nan 8.150 nan 0.000 0.450 407 Y N -0.142 120.056 120.300 -0.169 0.000 2.114 407 Y HA -0.247 4.305 4.550 0.002 0.000 0.282 407 Y C 2.397 178.207 175.900 -0.150 0.000 1.165 407 Y CA 2.343 60.354 58.100 -0.148 0.000 1.148 407 Y CB -0.190 38.172 38.460 -0.164 0.000 0.972 407 Y HN 0.248 nan 8.280 nan 0.000 0.504 408 M N -0.167 119.441 119.600 0.013 0.000 2.460 408 M HA -0.142 4.339 4.480 0.002 0.000 0.263 408 M C 1.316 177.506 176.300 -0.182 0.000 1.071 408 M CA 1.498 56.755 55.300 -0.072 0.000 1.096 408 M CB -0.726 31.809 32.600 -0.108 0.000 1.408 408 M HN 0.180 nan 8.290 nan 0.000 0.463 409 K N -0.357 119.907 120.400 -0.228 0.000 2.446 409 K HA 0.278 4.599 4.320 0.002 0.000 0.203 409 K C 0.923 177.418 176.600 -0.174 0.000 1.027 409 K CA 0.311 56.407 56.287 -0.320 0.000 1.166 409 K CB 0.086 32.297 32.500 -0.481 0.000 0.869 409 K HN 0.460 nan 8.250 nan 0.000 0.504 410 G N 0.378 109.062 108.800 -0.193 0.000 2.176 410 G HA2 -0.232 3.729 3.960 0.002 0.000 0.253 410 G HA3 -0.232 3.729 3.960 0.002 0.000 0.253 410 G C 0.047 174.872 174.900 -0.126 0.000 0.979 410 G CA 0.058 45.069 45.100 -0.148 0.000 0.641 410 G HN 0.146 nan 8.290 nan 0.000 0.530 411 V N 1.618 121.458 119.914 -0.124 0.000 2.304 411 V HA 0.431 4.553 4.120 0.002 0.000 0.262 411 V C 0.421 176.445 176.094 -0.117 0.000 1.061 411 V CA -0.124 62.127 62.300 -0.081 0.000 0.872 411 V CB 0.899 32.703 31.823 -0.032 0.000 1.077 411 V HN 0.316 nan 8.190 nan 0.000 0.480 412 K N 3.612 123.936 120.400 -0.127 0.000 2.274 412 K HA 0.628 4.949 4.320 0.002 0.000 0.262 412 K C -0.218 176.393 176.600 0.019 0.000 0.961 412 K CA -0.702 55.523 56.287 -0.103 0.000 0.833 412 K CB 2.441 34.794 32.500 -0.246 0.000 1.102 412 K HN 0.548 nan 8.250 nan 0.000 0.436 413 V N -0.693 119.276 119.914 0.093 0.000 3.133 413 V HA 0.085 4.206 4.120 0.002 0.000 0.305 413 V C 0.737 176.887 176.094 0.092 0.000 1.084 413 V CA -0.213 62.138 62.300 0.086 0.000 1.089 413 V CB 0.851 32.730 31.823 0.094 0.000 1.073 413 V HN 0.680 nan 8.190 nan 0.000 0.477 414 D N 0.478 120.929 120.400 0.086 0.000 2.144 414 D HA -0.074 4.567 4.640 0.002 0.000 0.200 414 D C 0.622 176.968 176.300 0.077 0.000 0.978 414 D CA 1.912 55.958 54.000 0.076 0.000 0.833 414 D CB -0.001 40.843 40.800 0.072 0.000 0.961 414 D HN 0.855 nan 8.370 nan 0.000 0.470 415 D N 0.203 120.655 120.400 0.086 0.000 2.518 415 D HA 0.139 4.781 4.640 0.002 0.000 0.230 415 D C 1.443 177.790 176.300 0.078 0.000 1.138 415 D CA -0.236 53.811 54.000 0.077 0.000 0.964 415 D CB -0.014 40.835 40.800 0.081 0.000 1.011 415 D HN 0.025 nan 8.370 nan 0.000 0.517 416 I N 1.303 121.913 120.570 0.066 0.000 2.394 416 I HA -0.196 3.975 4.170 0.002 0.000 0.251 416 I C 2.199 178.332 176.117 0.027 0.000 1.136 416 I CA 0.526 61.846 61.300 0.034 0.000 1.425 416 I CB -0.125 37.884 38.000 0.015 0.000 1.079 416 I HN 0.232 nan 8.210 nan 0.000 0.425 417 K N 1.492 121.913 120.400 0.035 0.000 2.009 417 K HA -0.164 4.157 4.320 0.002 0.000 0.210 417 K C 2.113 178.756 176.600 0.071 0.000 1.049 417 K CA 2.172 58.487 56.287 0.045 0.000 0.929 417 K CB -0.166 32.353 32.500 0.033 0.000 0.714 417 K HN 0.148 nan 8.250 nan 0.000 0.440 418 T N 1.623 116.223 114.554 0.076 0.000 2.788 418 T HA -0.130 4.222 4.350 0.002 0.000 0.268 418 T C 1.551 176.291 174.700 0.068 0.000 1.044 418 T CA 1.162 63.323 62.100 0.100 0.000 1.139 418 T CB -0.228 68.723 68.868 0.139 0.000 0.867 418 T HN 0.153 nan 8.240 nan 0.000 0.454 419 L N 0.483 121.765 121.223 0.099 0.000 1.989 419 L HA -0.080 4.261 4.340 0.002 0.000 0.211 419 L C 2.080 178.961 176.870 0.019 0.000 1.071 419 L CA 1.826 56.734 54.840 0.113 0.000 0.749 419 L CB -1.179 40.901 42.059 0.034 0.000 0.890 419 L HN 0.258 nan 8.230 nan 0.000 0.431 420 Y N 0.731 120.961 120.300 -0.116 0.000 2.181 420 Y HA -0.230 4.322 4.550 0.002 0.000 0.288 420 Y C 2.510 178.331 175.900 -0.132 0.000 1.146 420 Y CA 2.220 60.226 58.100 -0.157 0.000 1.164 420 Y CB -0.146 38.216 38.460 -0.163 0.000 0.982 420 Y HN 0.430 nan 8.280 nan 0.000 0.515 421 E N -1.144 118.987 120.200 -0.115 0.000 2.106 421 E HA -0.140 4.212 4.350 0.002 0.000 0.192 421 E C 2.402 178.806 176.600 -0.326 0.000 0.984 421 E CA 0.849 57.154 56.400 -0.159 0.000 0.806 421 E CB -0.469 29.216 29.700 -0.024 0.000 0.750 421 E HN 0.598 nan 8.360 nan 0.000 0.458 422 G N 1.217 109.669 108.800 -0.580 0.000 2.408 422 G HA2 -0.206 3.756 3.960 0.002 0.000 0.217 422 G HA3 -0.206 3.756 3.960 0.002 0.000 0.217 422 G C 1.578 176.261 174.900 -0.361 0.000 1.150 422 G CA 0.265 44.668 45.100 -1.161 0.000 0.776 422 G HN 0.065 nan 8.290 nan 0.000 0.542 423 L N 0.373 121.489 121.223 -0.178 0.000 1.994 423 L HA -0.088 4.253 4.340 0.002 0.000 0.208 423 L C 2.838 179.521 176.870 -0.313 0.000 1.071 423 L CA 0.669 55.358 54.840 -0.251 0.000 0.745 423 L CB -0.335 41.450 42.059 -0.458 0.000 0.892 423 L HN 0.104 nan 8.230 nan 0.000 0.431 424 I N -0.606 119.713 120.570 -0.418 0.000 2.208 424 I HA -0.369 3.802 4.170 0.002 0.000 0.245 424 I C 2.562 178.577 176.117 -0.171 0.000 1.097 424 I CA 1.667 62.803 61.300 -0.273 0.000 1.363 424 I CB -1.642 36.196 38.000 -0.270 0.000 1.051 424 I HN 0.462 nan 8.210 nan 0.000 0.413 425 H N 1.196 120.106 119.070 -0.266 0.000 2.353 425 H HA -0.153 4.404 4.556 0.002 0.000 0.298 425 H C 2.093 177.286 175.328 -0.225 0.000 1.103 425 H CA 1.966 57.861 56.048 -0.254 0.000 1.293 425 H CB -0.030 29.555 29.762 -0.295 0.000 1.372 425 H HN 0.337 nan 8.280 nan 0.000 0.501 426 G N -0.474 108.249 108.800 -0.128 0.000 2.572 426 G HA2 -0.189 3.772 3.960 0.002 0.000 0.216 426 G HA3 -0.189 3.772 3.960 0.002 0.000 0.216 426 G C 1.775 176.564 174.900 -0.185 0.000 1.133 426 G CA 0.940 46.005 45.100 -0.058 0.000 0.791 426 G HN 0.596 nan 8.290 nan 0.000 0.538 427 T N -0.817 113.616 114.554 -0.201 0.000 3.113 427 T HA 0.040 4.392 4.350 0.002 0.000 0.263 427 T C 1.286 175.827 174.700 -0.266 0.000 1.143 427 T CA 1.250 63.247 62.100 -0.172 0.000 1.090 427 T CB -0.090 68.794 68.868 0.028 0.000 0.922 427 T HN 0.579 nan 8.240 nan 0.000 0.521 428 E N 0.230 120.134 120.200 -0.494 0.000 3.191 428 E HA 0.299 4.650 4.350 0.002 0.000 0.192 428 E C -0.746 174.989 176.600 -1.443 0.000 0.972 428 E CA -0.812 55.007 56.400 -0.968 0.000 1.266 428 E CB 0.258 29.661 29.700 -0.494 0.000 1.076 428 E HN 0.250 nan 8.360 nan 0.000 0.462 429 N N 0.739 118.849 118.700 -0.984 0.000 2.367 429 N HA 0.258 4.999 4.740 0.002 0.000 0.278 429 N C -1.839 173.633 175.510 -0.063 0.000 1.117 429 N CA -0.477 52.279 53.050 -0.490 0.000 0.867 429 N CB 2.862 41.111 38.487 -0.397 0.000 1.649 429 N HN 0.046 nan 8.380 nan 0.000 0.479 430 V N 0.857 120.838 119.914 0.112 0.000 2.769 430 V HA 0.361 4.482 4.120 0.002 0.000 0.312 430 V C -0.440 175.607 176.094 -0.078 0.000 1.058 430 V CA -0.471 61.858 62.300 0.049 0.000 0.952 430 V CB 1.672 33.568 31.823 0.121 0.000 1.019 430 V HN 0.808 nan 8.190 nan 0.000 0.445 431 H N 6.920 125.663 119.070 -0.544 0.000 2.764 431 H HA 0.389 4.946 4.556 0.002 0.000 0.341 431 H C -1.702 173.513 175.328 -0.187 0.000 1.072 431 H CA -0.957 54.706 56.048 -0.641 0.000 1.444 431 H CB 1.790 31.019 29.762 -0.888 0.000 1.458 431 H HN 0.492 nan 8.280 nan 0.000 0.572 432 P HA -0.105 nan 4.420 nan 0.000 0.225 432 P C 0.066 177.418 177.300 0.086 0.000 1.156 432 P CA 1.033 64.109 63.100 -0.040 0.000 0.787 432 P CB 0.520 32.171 31.700 -0.082 0.000 0.802 433 E N -0.703 119.675 120.200 0.296 0.000 2.511 433 E HA 0.168 4.520 4.350 0.002 0.000 0.209 433 E C -0.002 176.682 176.600 0.139 0.000 0.986 433 E CA 0.091 56.617 56.400 0.209 0.000 0.974 433 E CB 0.713 30.523 29.700 0.183 0.000 1.030 433 E HN 0.037 nan 8.360 nan 0.000 0.490 434 V N 2.974 122.972 119.914 0.140 0.000 2.385 434 V HA 0.044 4.166 4.120 0.002 0.000 0.277 434 V C 1.048 177.105 176.094 -0.063 0.000 1.012 434 V CA -0.147 62.106 62.300 -0.077 0.000 0.832 434 V CB 1.301 32.929 31.823 -0.326 0.000 1.028 434 V HN 0.221 nan 8.190 nan 0.000 0.436 435 S N 1.933 117.624 115.700 -0.015 0.000 2.507 435 S HA -0.095 4.376 4.470 0.002 0.000 0.235 435 S C 1.581 176.183 174.600 0.004 0.000 0.988 435 S CA 0.985 59.187 58.200 0.004 0.000 0.944 435 S CB -0.135 63.080 63.200 0.024 0.000 0.762 435 S HN 0.891 nan 8.310 nan 0.000 0.526 436 S N -0.056 115.637 115.700 -0.012 0.000 2.577 436 S HA 0.237 4.709 4.470 0.002 0.000 0.219 436 S C 0.245 174.848 174.600 0.005 0.000 0.962 436 S CA -0.507 57.713 58.200 0.034 0.000 0.921 436 S CB -0.186 63.055 63.200 0.068 0.000 0.789 436 S HN 0.379 nan 8.310 nan 0.000 0.497 437 T N 2.118 116.598 114.554 -0.123 0.000 2.807 437 T HA 0.693 5.044 4.350 0.002 0.000 0.279 437 T C 0.576 175.085 174.700 -0.318 0.000 0.993 437 T CA 0.109 62.052 62.100 -0.261 0.000 0.970 437 T CB 1.134 69.648 68.868 -0.589 0.000 0.950 437 T HN 0.744 nan 8.240 nan 0.000 0.441 438 G N 2.847 111.581 108.800 -0.110 0.000 2.697 438 G HA2 -0.227 3.735 3.960 0.002 0.000 0.240 438 G HA3 -0.227 3.735 3.960 0.002 0.000 0.240 438 G C -0.767 174.121 174.900 -0.021 0.000 1.346 438 G CA -0.716 44.407 45.100 0.039 0.000 0.887 438 G HN 0.836 nan 8.290 nan 0.000 0.569 439 R N -0.474 119.994 120.500 -0.052 0.000 2.239 439 R HA 0.425 4.767 4.340 0.002 0.000 0.332 439 R C 0.126 176.534 176.300 0.179 0.000 0.988 439 R CA -0.883 55.175 56.100 -0.070 0.000 0.859 439 R CB 1.241 31.255 30.300 -0.476 0.000 1.148 439 R HN 0.504 nan 8.270 nan 0.000 0.482 440 L N 2.493 123.858 121.223 0.237 0.000 2.540 440 L HA 0.123 4.465 4.340 0.002 0.000 0.276 440 L C 1.116 178.158 176.870 0.287 0.000 1.212 440 L CA 1.536 56.510 54.840 0.224 0.000 0.893 440 L CB 0.494 42.648 42.059 0.159 0.000 1.138 440 L HN 0.942 nan 8.230 nan 0.000 0.491 441 G N 3.695 112.613 108.800 0.197 0.000 2.176 441 G HA2 -0.388 3.574 3.960 0.002 0.000 0.252 441 G HA3 -0.388 3.574 3.960 0.002 0.000 0.252 441 G C 0.514 175.529 174.900 0.192 0.000 1.024 441 G CA 0.790 46.002 45.100 0.187 0.000 0.755 441 G HN 1.132 nan 8.290 nan 0.000 0.507 442 Y N -0.163 120.219 120.300 0.136 0.000 2.207 442 Y HA 0.040 4.591 4.550 0.002 0.000 0.287 442 Y C 2.142 178.108 175.900 0.110 0.000 1.156 442 Y CA 1.749 59.918 58.100 0.115 0.000 1.182 442 Y CB -0.559 37.893 38.460 -0.012 0.000 0.979 442 Y HN 0.385 nan 8.280 nan 0.000 0.521 443 E N 0.491 120.215 120.200 -0.793 0.000 2.023 443 E HA -0.217 4.134 4.350 0.002 0.000 0.196 443 E C 1.839 178.270 176.600 -0.281 0.000 1.003 443 E CA 2.082 58.119 56.400 -0.604 0.000 0.809 443 E CB -1.111 28.104 29.700 -0.810 0.000 0.755 443 E HN 0.610 nan 8.360 nan 0.000 0.449 444 Y N -0.603 119.604 120.300 -0.156 0.000 2.207 444 Y HA -0.227 4.324 4.550 0.002 0.000 0.287 444 Y C 2.375 178.215 175.900 -0.100 0.000 1.156 444 Y CA 1.359 59.371 58.100 -0.146 0.000 1.182 444 Y CB -0.801 37.564 38.460 -0.158 0.000 0.979 444 Y HN 0.194 nan 8.280 nan 0.000 0.521 445 Y N 0.610 120.958 120.300 0.081 0.000 2.220 445 Y HA -0.148 4.403 4.550 0.002 0.000 0.291 445 Y C 1.891 177.839 175.900 0.080 0.000 1.129 445 Y CA 1.694 59.862 58.100 0.112 0.000 1.161 445 Y CB -0.670 37.959 38.460 0.283 0.000 0.997 445 Y HN 0.125 nan 8.280 nan 0.000 0.522 446 N N -0.080 118.707 118.700 0.145 0.000 2.244 446 N HA -0.169 4.572 4.740 0.002 0.000 0.183 446 N C 1.703 177.174 175.510 -0.065 0.000 1.016 446 N CA 1.156 54.219 53.050 0.023 0.000 0.866 446 N CB -0.093 38.464 38.487 0.116 0.000 0.980 446 N HN 0.299 nan 8.380 nan 0.000 0.430 447 K N 1.295 121.657 120.400 -0.063 0.000 2.029 447 K HA 0.060 4.381 4.320 0.002 0.000 0.205 447 K C 1.564 178.110 176.600 -0.090 0.000 1.042 447 K CA 0.728 56.971 56.287 -0.074 0.000 0.949 447 K CB 0.104 32.562 32.500 -0.071 0.000 0.740 447 K HN 0.036 nan 8.250 nan 0.000 0.442 448 L N -0.453 120.692 121.223 -0.131 0.000 2.529 448 L HA 0.294 4.636 4.340 0.002 0.000 0.223 448 L C 0.996 177.822 176.870 -0.073 0.000 1.113 448 L CA 0.360 55.108 54.840 -0.154 0.000 0.861 448 L CB 0.162 41.964 42.059 -0.428 0.000 1.012 448 L HN 0.641 nan 8.230 nan 0.000 0.461 449 G N 0.428 109.125 108.800 -0.171 0.000 2.147 449 G HA2 -0.314 3.647 3.960 0.002 0.000 0.244 449 G HA3 -0.314 3.647 3.960 0.002 0.000 0.244 449 G C -0.060 174.836 174.900 -0.007 0.000 1.005 449 G CA 0.386 45.366 45.100 -0.200 0.000 0.713 449 G HN 0.541 nan 8.290 nan 0.000 0.515 450 Y N -4.091 116.173 120.300 -0.060 0.000 2.765 450 Y HA 0.529 5.080 4.550 0.002 0.000 0.350 450 Y C -0.730 175.295 175.900 0.208 0.000 1.196 450 Y CA -1.483 56.710 58.100 0.155 0.000 1.119 450 Y CB 0.573 39.072 38.460 0.065 0.000 1.368 450 Y HN 0.506 nan 8.280 nan 0.000 0.463 451 V N 3.261 123.337 119.914 0.270 0.000 2.385 451 V HA 0.410 4.531 4.120 0.002 0.000 0.269 451 V C -2.226 173.904 176.094 0.060 0.000 1.043 451 V CA -1.854 60.491 62.300 0.074 0.000 0.906 451 V CB 0.753 32.618 31.823 0.070 0.000 0.995 451 V HN 0.580 nan 8.190 nan 0.000 0.467 452 P HA -0.035 nan 4.420 nan 0.000 0.266 452 P C 0.187 177.478 177.300 -0.015 0.000 1.193 452 P CA 0.250 63.323 63.100 -0.045 0.000 0.770 452 P CB 0.442 31.912 31.700 -0.383 0.000 0.836 453 Y N 2.680 122.948 120.300 -0.054 0.000 2.395 453 Y HA -0.112 4.440 4.550 0.002 0.000 0.293 453 Y C 1.286 177.128 175.900 -0.097 0.000 1.123 453 Y CA 1.509 59.554 58.100 -0.091 0.000 1.227 453 Y CB 0.093 38.509 38.460 -0.072 0.000 1.012 453 Y HN 0.308 nan 8.280 nan 0.000 0.552 454 D N -0.272 120.111 120.400 -0.029 0.000 2.424 454 D HA 0.005 4.646 4.640 0.002 0.000 0.220 454 D C 0.776 177.000 176.300 -0.127 0.000 1.150 454 D CA 0.636 54.597 54.000 -0.064 0.000 0.831 454 D CB -0.614 40.217 40.800 0.052 0.000 0.981 454 D HN 0.307 nan 8.370 nan 0.000 0.500 455 V N -2.792 117.001 119.914 -0.202 0.000 3.342 455 V HA 0.316 4.437 4.120 0.002 0.000 0.322 455 V C 0.691 176.719 176.094 -0.109 0.000 1.370 455 V CA -0.751 61.434 62.300 -0.191 0.000 1.170 455 V CB -0.782 30.785 31.823 -0.426 0.000 1.101 455 V HN 0.041 nan 8.190 nan 0.000 0.442 456 K N 0.512 120.838 120.400 -0.124 0.000 3.129 456 K HA -0.156 4.165 4.320 0.002 0.000 0.273 456 K C -0.104 176.457 176.600 -0.066 0.000 1.123 456 K CA 0.953 57.187 56.287 -0.089 0.000 0.800 456 K CB -1.323 31.148 32.500 -0.047 0.000 1.238 456 K HN 0.634 nan 8.250 nan 0.000 0.492 457 I N 2.208 122.722 120.570 -0.093 0.000 2.388 457 I HA 0.122 4.293 4.170 0.002 0.000 0.281 457 I C 0.251 176.298 176.117 -0.117 0.000 1.046 457 I CA -0.876 60.385 61.300 -0.064 0.000 1.187 457 I CB 0.837 38.825 38.000 -0.020 0.000 1.351 457 I HN 0.026 nan 8.210 nan 0.000 0.472 458 N N 4.778 123.418 118.700 -0.099 0.000 2.374 458 N HA -0.002 4.740 4.740 0.002 0.000 0.241 458 N C 0.385 175.807 175.510 -0.148 0.000 1.262 458 N CA 0.364 53.334 53.050 -0.133 0.000 0.880 458 N CB 0.256 38.724 38.487 -0.031 0.000 1.105 458 N HN 0.475 nan 8.380 nan 0.000 0.438 459 E N -1.134 118.931 120.200 -0.225 0.000 2.513 459 E HA -0.239 4.113 4.350 0.002 0.000 0.257 459 E C 0.476 176.941 176.600 -0.226 0.000 1.098 459 E CA 0.508 56.775 56.400 -0.221 0.000 0.752 459 E CB -1.272 28.356 29.700 -0.120 0.000 1.324 459 E HN 0.680 nan 8.360 nan 0.000 0.403 460 N N -0.169 118.389 118.700 -0.237 0.000 2.171 460 N HA -0.140 4.601 4.740 0.002 0.000 0.184 460 N C 1.914 177.315 175.510 -0.182 0.000 1.021 460 N CA 1.217 54.161 53.050 -0.178 0.000 0.854 460 N CB -0.201 38.206 38.487 -0.132 0.000 0.994 460 N HN 0.240 nan 8.380 nan 0.000 0.426 461 A N 1.515 124.167 122.820 -0.281 0.000 1.933 461 A HA 0.127 4.448 4.320 0.002 0.000 0.218 461 A C 2.541 179.984 177.584 -0.234 0.000 1.175 461 A CA 1.789 53.658 52.037 -0.279 0.000 0.628 461 A CB -0.839 17.806 19.000 -0.591 0.000 0.814 461 A HN 0.462 nan 8.150 nan 0.000 0.444 462 A N -0.068 122.530 122.820 -0.370 0.000 1.873 462 A HA -0.153 4.168 4.320 0.002 0.000 0.215 462 A C 2.223 179.701 177.584 -0.177 0.000 1.186 462 A CA 1.494 53.266 52.037 -0.442 0.000 0.616 462 A CB -0.478 18.179 19.000 -0.571 0.000 0.823 462 A HN 0.546 nan 8.150 nan 0.000 0.442 463 R N -0.802 119.545 120.500 -0.255 0.000 2.105 463 R HA -0.100 4.241 4.340 0.002 0.000 0.239 463 R C 2.234 178.126 176.300 -0.680 0.000 1.135 463 R CA 1.850 57.633 56.100 -0.529 0.000 0.967 463 R CB -0.772 29.150 30.300 -0.630 0.000 0.861 463 R HN 0.547 nan 8.270 nan 0.000 0.442 464 T N 1.481 115.868 114.554 -0.277 0.000 2.737 464 T HA -0.074 4.277 4.350 0.002 0.000 0.265 464 T C 1.872 176.691 174.700 0.198 0.000 1.038 464 T CA 1.078 63.194 62.100 0.027 0.000 1.144 464 T CB -0.129 68.873 68.868 0.223 0.000 0.866 464 T HN 0.124 nan 8.240 nan 0.000 0.434 465 L N 0.564 121.905 121.223 0.196 0.000 2.141 465 L HA -0.034 4.308 4.340 0.002 0.000 0.209 465 L C 2.700 179.805 176.870 0.393 0.000 1.094 465 L CA 1.251 56.293 54.840 0.336 0.000 0.763 465 L CB -0.509 41.756 42.059 0.343 0.000 0.908 465 L HN 0.302 nan 8.230 nan 0.000 0.437 466 E N -0.834 119.563 120.200 0.330 0.000 2.051 466 E HA -0.172 4.180 4.350 0.002 0.000 0.189 466 E C 2.226 179.036 176.600 0.349 0.000 0.979 466 E CA 0.837 57.466 56.400 0.382 0.000 0.803 466 E CB -0.114 29.814 29.700 0.380 0.000 0.761 466 E HN 0.356 nan 8.360 nan 0.000 0.451 467 Y N 1.107 121.450 120.300 0.072 0.000 2.102 467 Y HA -0.265 4.287 4.550 0.002 0.000 0.280 467 Y C 2.498 178.460 175.900 0.103 0.000 1.178 467 Y CA 0.863 58.907 58.100 -0.094 0.000 1.146 467 Y CB -1.337 36.768 38.460 -0.592 0.000 0.968 467 Y HN 0.047 nan 8.280 nan 0.000 0.504 468 A N -0.333 122.773 122.820 0.477 0.000 1.865 468 A HA -0.292 4.030 4.320 0.002 0.000 0.217 468 A C 2.199 179.942 177.584 0.265 0.000 1.191 468 A CA 1.915 54.257 52.037 0.508 0.000 0.623 468 A CB -1.597 17.772 19.000 0.614 0.000 0.826 468 A HN 0.518 nan 8.150 nan 0.000 0.444 469 Y N 1.525 121.862 120.300 0.063 0.000 2.165 469 Y HA -0.233 4.319 4.550 0.002 0.000 0.286 469 Y C 1.799 177.646 175.900 -0.089 0.000 1.155 469 Y CA 1.949 59.903 58.100 -0.245 0.000 1.164 469 Y CB -0.481 38.020 38.460 0.069 0.000 0.978 469 Y HN 0.386 nan 8.280 nan 0.000 0.513 470 D N 0.185 120.443 120.400 -0.237 0.000 2.149 470 D HA -0.181 4.460 4.640 0.002 0.000 0.198 470 D C 1.696 177.823 176.300 -0.289 0.000 0.990 470 D CA 1.644 55.399 54.000 -0.408 0.000 0.839 470 D CB -0.350 40.318 40.800 -0.219 0.000 0.948 470 D HN 0.482 nan 8.370 nan 0.000 0.460 471 D N -0.440 119.930 120.400 -0.050 0.000 2.178 471 D HA -0.122 4.520 4.640 0.002 0.000 0.202 471 D C 1.869 178.173 176.300 0.006 0.000 0.974 471 D CA 0.333 54.379 54.000 0.076 0.000 0.841 471 D CB -0.358 40.678 40.800 0.393 0.000 0.953 471 D HN 0.356 nan 8.370 nan 0.000 0.478 472 W N 1.433 122.590 121.300 -0.239 0.000 2.358 472 W HA -0.249 4.413 4.660 0.002 0.000 0.303 472 W C 2.175 178.572 176.519 -0.205 0.000 1.208 472 W CA 1.045 58.230 57.345 -0.266 0.000 1.274 472 W CB -0.436 28.762 29.460 -0.436 0.000 1.138 472 W HN -0.056 nan 8.180 nan 0.000 0.515 473 C N 0.516 119.555 119.300 -0.436 0.000 2.432 473 C HA -0.194 4.268 4.460 0.002 0.000 0.277 473 C C 2.691 177.305 174.990 -0.626 0.000 1.249 473 C CA 1.324 59.943 59.018 -0.667 0.000 1.725 473 C CB -1.505 25.893 27.740 -0.570 0.000 2.028 473 C HN 0.372 nan 8.230 nan 0.000 0.477 474 I N 0.029 120.268 120.570 -0.553 0.000 2.226 474 I HA -0.255 3.916 4.170 0.002 0.000 0.245 474 I C 2.488 178.290 176.117 -0.526 0.000 1.100 474 I CA 1.930 62.853 61.300 -0.628 0.000 1.374 474 I CB -0.720 36.694 38.000 -0.978 0.000 1.057 474 I HN 0.425 nan 8.210 nan 0.000 0.413 475 Y N 2.168 122.163 120.300 -0.508 0.000 2.114 475 Y HA -0.296 4.256 4.550 0.002 0.000 0.282 475 Y C 2.765 178.426 175.900 -0.398 0.000 1.165 475 Y CA 1.573 59.487 58.100 -0.310 0.000 1.148 475 Y CB -0.231 38.071 38.460 -0.263 0.000 0.972 475 Y HN -0.059 nan 8.280 nan 0.000 0.504 476 R N 0.145 120.138 120.500 -0.845 0.000 2.083 476 R HA -0.186 4.155 4.340 0.002 0.000 0.237 476 R C 2.250 178.181 176.300 -0.616 0.000 1.137 476 R CA 1.649 57.225 56.100 -0.872 0.000 0.951 476 R CB -1.207 28.513 30.300 -0.967 0.000 0.851 476 R HN 0.457 nan 8.270 nan 0.000 0.434 477 L N 0.704 121.616 121.223 -0.518 0.000 2.072 477 L HA -0.008 4.333 4.340 0.002 0.000 0.205 477 L C 2.293 178.932 176.870 -0.385 0.000 1.079 477 L CA 1.866 56.456 54.840 -0.417 0.000 0.752 477 L CB -0.803 41.032 42.059 -0.374 0.000 0.906 477 L HN 0.137 nan 8.230 nan 0.000 0.436 478 A N -0.379 122.247 122.820 -0.323 0.000 1.892 478 A HA -0.333 3.988 4.320 0.002 0.000 0.218 478 A C 2.458 179.843 177.584 -0.332 0.000 1.188 478 A CA 2.313 54.174 52.037 -0.292 0.000 0.631 478 A CB -0.709 18.238 19.000 -0.088 0.000 0.822 478 A HN 0.500 nan 8.150 nan 0.000 0.447 479 K N -0.492 119.656 120.400 -0.419 0.000 2.032 479 K HA -0.241 4.080 4.320 0.002 0.000 0.209 479 K C 2.077 178.516 176.600 -0.268 0.000 1.048 479 K CA 1.893 57.959 56.287 -0.369 0.000 0.927 479 K CB -0.164 32.001 32.500 -0.559 0.000 0.712 479 K HN 0.467 nan 8.250 nan 0.000 0.441 480 E N 0.180 120.210 120.200 -0.283 0.000 2.204 480 E HA -0.155 4.196 4.350 0.002 0.000 0.195 480 E C 1.293 177.792 176.600 -0.169 0.000 0.990 480 E CA 0.982 57.271 56.400 -0.185 0.000 0.821 480 E CB -0.010 29.600 29.700 -0.151 0.000 0.750 480 E HN 0.207 nan 8.360 nan 0.000 0.477 481 L N 0.417 121.488 121.223 -0.253 0.000 2.592 481 L HA 0.228 4.569 4.340 0.002 0.000 0.227 481 L C 0.094 176.834 176.870 -0.216 0.000 1.127 481 L CA 0.490 55.174 54.840 -0.261 0.000 0.884 481 L CB -0.639 41.168 42.059 -0.419 0.000 1.065 481 L HN 0.052 nan 8.230 nan 0.000 0.457 482 K N 0.064 120.355 120.400 -0.181 0.000 3.150 482 K HA -0.190 4.131 4.320 0.002 0.000 0.267 482 K C 0.140 176.648 176.600 -0.153 0.000 1.028 482 K CA 0.327 56.533 56.287 -0.136 0.000 0.753 482 K CB -0.881 31.561 32.500 -0.097 0.000 1.288 482 K HN 0.093 nan 8.250 nan 0.000 0.473 483 R N -0.357 120.025 120.500 -0.197 0.000 2.747 483 R HA 0.288 4.630 4.340 0.002 0.000 0.278 483 R C -2.018 174.232 176.300 -0.082 0.000 1.153 483 R CA -1.865 54.125 56.100 -0.182 0.000 1.206 483 R CB -0.470 29.687 30.300 -0.238 0.000 1.161 483 R HN -0.011 nan 8.270 nan 0.000 0.589 484 P HA 0.112 nan 4.420 nan 0.000 0.271 484 P C 0.134 177.443 177.300 0.016 0.000 1.216 484 P CA -0.240 62.854 63.100 -0.010 0.000 0.776 484 P CB 0.550 32.252 31.700 0.003 0.000 0.881 485 K N 3.140 123.553 120.400 0.021 0.000 2.281 485 K HA -0.184 4.137 4.320 0.002 0.000 0.203 485 K C 1.509 178.146 176.600 0.061 0.000 1.046 485 K CA 1.594 57.907 56.287 0.043 0.000 0.938 485 K CB -0.501 32.023 32.500 0.039 0.000 0.737 485 K HN 0.600 nan 8.250 nan 0.000 0.458 486 K N 0.952 121.379 120.400 0.046 0.000 2.148 486 K HA -0.078 4.243 4.320 0.002 0.000 0.204 486 K C 1.597 178.230 176.600 0.054 0.000 1.050 486 K CA 1.249 57.560 56.287 0.040 0.000 0.942 486 K CB -0.038 32.474 32.500 0.021 0.000 0.724 486 K HN 0.147 nan 8.250 nan 0.000 0.446 487 E N 1.097 121.356 120.200 0.098 0.000 2.076 487 E HA -0.037 4.314 4.350 0.002 0.000 0.190 487 E C 2.121 178.896 176.600 0.292 0.000 0.979 487 E CA 0.966 57.482 56.400 0.193 0.000 0.807 487 E CB -0.120 29.741 29.700 0.269 0.000 0.761 487 E HN 0.297 nan 8.360 nan 0.000 0.454 488 I N 1.199 121.900 120.570 0.217 0.000 2.127 488 I HA -0.296 3.875 4.170 0.002 0.000 0.241 488 I C 2.385 178.709 176.117 0.345 0.000 1.075 488 I CA 1.045 62.507 61.300 0.269 0.000 1.334 488 I CB -0.358 37.739 38.000 0.162 0.000 1.040 488 I HN 0.017 nan 8.210 nan 0.000 0.405 489 S N 0.791 116.617 115.700 0.209 0.000 2.382 489 S HA -0.159 4.312 4.470 0.002 0.000 0.228 489 S C 1.896 176.557 174.600 0.101 0.000 1.027 489 S CA 1.204 59.499 58.200 0.158 0.000 0.991 489 S CB -0.378 62.876 63.200 0.090 0.000 0.823 489 S HN 0.328 nan 8.310 nan 0.000 0.469 490 L N 0.549 121.783 121.223 0.018 0.000 2.093 490 L HA 0.074 4.416 4.340 0.002 0.000 0.208 490 L C 1.630 178.379 176.870 -0.202 0.000 1.085 490 L CA 1.773 56.518 54.840 -0.157 0.000 0.755 490 L CB -0.574 41.285 42.059 -0.334 0.000 0.904 490 L HN 0.188 nan 8.230 nan 0.000 0.435 491 F N -0.414 119.614 119.950 0.130 0.000 2.270 491 F HA 0.124 4.653 4.527 0.002 0.000 0.295 491 F C 2.493 178.366 175.800 0.121 0.000 1.087 491 F CA 0.814 58.895 58.000 0.134 0.000 1.365 491 F CB -1.236 37.840 39.000 0.128 0.000 1.056 491 F HN 0.142 nan 8.300 nan 0.000 0.506 492 A N 0.540 123.529 122.820 0.282 0.000 1.884 492 A HA -0.313 4.009 4.320 0.002 0.000 0.219 492 A C 2.338 180.054 177.584 0.221 0.000 1.197 492 A CA 2.328 54.444 52.037 0.131 0.000 0.637 492 A CB -0.893 18.218 19.000 0.185 0.000 0.827 492 A HN 0.349 nan 8.150 nan 0.000 0.450 493 K N -0.599 119.889 120.400 0.147 0.000 2.002 493 K HA -0.171 4.150 4.320 0.002 0.000 0.209 493 K C 2.292 178.961 176.600 0.115 0.000 1.048 493 K CA 1.501 57.849 56.287 0.102 0.000 0.930 493 K CB -0.267 32.251 32.500 0.030 0.000 0.714 493 K HN 0.451 nan 8.250 nan 0.000 0.438 494 R N 0.067 120.631 120.500 0.106 0.000 2.127 494 R HA -0.111 4.230 4.340 0.002 0.000 0.238 494 R C 2.362 178.834 176.300 0.288 0.000 1.134 494 R CA 1.089 57.276 56.100 0.144 0.000 0.975 494 R CB -0.422 29.983 30.300 0.176 0.000 0.865 494 R HN 0.305 nan 8.270 nan 0.000 0.447 495 A N 0.908 123.920 122.820 0.320 0.000 2.032 495 A HA -0.148 4.173 4.320 0.002 0.000 0.221 495 A C 1.829 179.759 177.584 0.577 0.000 1.165 495 A CA 1.330 53.618 52.037 0.418 0.000 0.645 495 A CB -0.197 18.982 19.000 0.298 0.000 0.807 495 A HN 0.142 nan 8.150 nan 0.000 0.453 496 M N 0.034 119.861 119.600 0.378 0.000 2.494 496 M HA 0.094 4.575 4.480 0.002 0.000 0.232 496 M C 0.704 176.994 176.300 -0.018 0.000 1.137 496 M CA 0.118 55.533 55.300 0.192 0.000 1.012 496 M CB -1.042 31.594 32.600 0.060 0.000 1.567 496 M HN 0.297 nan 8.290 nan 0.000 0.486 497 N N 1.030 119.842 118.700 0.187 0.000 2.430 497 N HA -0.189 4.552 4.740 0.002 0.000 0.186 497 N C 1.528 177.140 175.510 0.170 0.000 1.032 497 N CA 1.139 54.275 53.050 0.143 0.000 0.893 497 N CB -0.396 38.199 38.487 0.180 0.000 0.957 497 N HN 0.638 nan 8.380 nan 0.000 0.442 498 Y N 0.558 121.001 120.300 0.238 0.000 2.274 498 Y HA -0.023 4.529 4.550 0.002 0.000 0.290 498 Y C 1.909 177.891 175.900 0.138 0.000 1.145 498 Y CA 0.977 59.196 58.100 0.199 0.000 1.203 498 Y CB -0.626 37.950 38.460 0.193 0.000 0.984 498 Y HN -0.147 nan 8.280 nan 0.000 0.533 499 K N 0.635 120.646 120.400 -0.648 0.000 2.160 499 K HA -0.193 4.128 4.320 0.002 0.000 0.206 499 K C 1.465 178.026 176.600 -0.066 0.000 1.047 499 K CA 1.587 57.651 56.287 -0.371 0.000 0.930 499 K CB -0.312 31.917 32.500 -0.452 0.000 0.720 499 K HN 0.433 nan 8.250 nan 0.000 0.450 500 N N 0.582 119.247 118.700 -0.058 0.000 2.520 500 N HA -0.091 4.650 4.740 0.002 0.000 0.185 500 N C 1.203 176.658 175.510 -0.092 0.000 1.068 500 N CA 0.901 53.901 53.050 -0.083 0.000 0.911 500 N CB 0.167 38.617 38.487 -0.062 0.000 0.961 500 N HN 0.245 nan 8.380 nan 0.000 0.446 501 L N -0.990 120.270 121.223 0.062 0.000 2.766 501 L HA 0.257 4.598 4.340 0.002 0.000 0.242 501 L C 0.104 177.043 176.870 0.116 0.000 1.136 501 L CA -0.355 54.554 54.840 0.114 0.000 0.933 501 L CB 0.177 42.281 42.059 0.075 0.000 1.241 501 L HN -0.060 nan 8.230 nan 0.000 0.522 502 F N 2.226 122.185 119.950 0.015 0.000 2.504 502 F HA 0.110 4.639 4.527 0.002 0.000 0.369 502 F C 0.501 176.222 175.800 -0.131 0.000 1.082 502 F CA -0.498 57.456 58.000 -0.077 0.000 1.216 502 F CB 0.444 39.423 39.000 -0.035 0.000 1.108 502 F HN -0.102 nan 8.300 nan 0.000 0.554 503 D N 6.423 126.151 120.400 -1.120 0.000 2.412 503 D HA 0.143 4.785 4.640 0.002 0.000 0.224 503 D C 0.666 176.429 176.300 -0.894 0.000 1.093 503 D CA -0.265 53.125 54.000 -1.016 0.000 0.850 503 D CB 1.070 41.098 40.800 -1.288 0.000 1.046 503 D HN 0.658 nan 8.370 nan 0.000 0.507 504 K N 2.332 122.527 120.400 -0.342 0.000 2.113 504 K HA -0.179 4.142 4.320 0.002 0.000 0.208 504 K C 1.423 177.942 176.600 -0.134 0.000 1.047 504 K CA 1.222 57.468 56.287 -0.067 0.000 0.928 504 K CB 0.335 32.892 32.500 0.095 0.000 0.716 504 K HN 0.533 nan 8.250 nan 0.000 0.446 505 E N 0.444 120.532 120.200 -0.188 0.000 2.028 505 E HA -0.138 4.213 4.350 0.002 0.000 0.191 505 E C 2.125 178.632 176.600 -0.156 0.000 0.988 505 E CA 1.683 58.001 56.400 -0.136 0.000 0.799 505 E CB 0.030 29.656 29.700 -0.123 0.000 0.755 505 E HN 0.340 nan 8.360 nan 0.000 0.447 506 S N -0.121 115.424 115.700 -0.258 0.000 2.501 506 S HA 0.053 4.524 4.470 0.002 0.000 0.220 506 S C 0.694 175.112 174.600 -0.303 0.000 0.997 506 S CA 0.195 58.260 58.200 -0.226 0.000 0.919 506 S CB 0.072 63.167 63.200 -0.175 0.000 0.778 506 S HN 0.158 nan 8.310 nan 0.000 0.523 507 K N 0.157 120.312 120.400 -0.409 0.000 3.230 507 K HA -0.112 4.209 4.320 0.002 0.000 0.285 507 K C -0.730 175.556 176.600 -0.524 0.000 1.196 507 K CA 0.683 56.754 56.287 -0.359 0.000 0.838 507 K CB -2.037 30.430 32.500 -0.054 0.000 1.262 507 K HN 0.473 nan 8.250 nan 0.000 0.492 508 L N -0.168 120.596 121.223 -0.764 0.000 2.283 508 L HA 0.555 4.897 4.340 0.002 0.000 0.259 508 L C 0.332 176.798 176.870 -0.672 0.000 1.027 508 L CA -1.480 52.955 54.840 -0.675 0.000 0.828 508 L CB 1.220 42.903 42.059 -0.626 0.000 1.380 508 L HN -0.098 nan 8.230 nan 0.000 0.425 509 M N 1.382 120.744 119.600 -0.397 0.000 2.250 509 M HA 0.421 4.902 4.480 0.002 0.000 0.344 509 M C -0.429 175.731 176.300 -0.233 0.000 1.150 509 M CA 0.146 55.312 55.300 -0.222 0.000 1.147 509 M CB 0.956 33.576 32.600 0.033 0.000 1.498 509 M HN 0.492 nan 8.290 nan 0.000 0.461 510 R N -0.125 120.144 120.500 -0.384 0.000 2.626 510 R HA 0.544 4.885 4.340 0.002 0.000 0.274 510 R C -0.315 175.769 176.300 -0.360 0.000 1.031 510 R CA -0.475 55.232 56.100 -0.656 0.000 0.898 510 R CB 1.629 31.015 30.300 -1.525 0.000 1.222 510 R HN 0.912 nan 8.270 nan 0.000 0.455 511 G N 2.471 111.075 108.800 -0.327 0.000 2.391 511 G HA2 0.080 4.041 3.960 0.002 0.000 0.234 511 G HA3 0.080 4.041 3.960 0.002 0.000 0.234 511 G C -0.694 174.158 174.900 -0.080 0.000 1.284 511 G CA -0.105 44.884 45.100 -0.184 0.000 0.873 511 G HN 0.548 nan 8.290 nan 0.000 0.549 512 R N 1.695 122.208 120.500 0.021 0.000 2.513 512 R HA 0.191 4.533 4.340 0.002 0.000 0.301 512 R C -0.273 176.079 176.300 0.086 0.000 0.968 512 R CA -0.842 55.217 56.100 -0.069 0.000 0.872 512 R CB 0.756 30.758 30.300 -0.497 0.000 1.177 512 R HN 0.567 nan 8.270 nan 0.000 0.444 513 N N 1.950 120.657 118.700 0.011 0.000 2.453 513 N HA -0.088 4.654 4.740 0.002 0.000 0.253 513 N C 0.741 176.306 175.510 0.092 0.000 1.252 513 N CA 0.183 53.272 53.050 0.065 0.000 0.917 513 N CB 0.946 39.437 38.487 0.006 0.000 1.117 513 N HN 0.723 nan 8.380 nan 0.000 0.442 514 E N 0.609 120.820 120.200 0.018 0.000 2.130 514 E HA -0.264 4.088 4.350 0.002 0.000 0.196 514 E C 0.309 176.915 176.600 0.009 0.000 0.998 514 E CA 1.745 58.120 56.400 -0.041 0.000 0.806 514 E CB 0.087 29.724 29.700 -0.105 0.000 0.738 514 E HN 0.621 nan 8.360 nan 0.000 0.459 515 D N -1.888 118.512 120.400 0.000 0.000 2.363 515 D HA 0.022 4.664 4.640 0.002 0.000 0.220 515 D C 1.346 177.631 176.300 -0.024 0.000 0.994 515 D CA 0.950 54.943 54.000 -0.012 0.000 0.890 515 D CB 0.295 41.082 40.800 -0.023 0.000 0.906 515 D HN 0.349 nan 8.370 nan 0.000 0.530 516 G N -0.355 108.430 108.800 -0.026 0.000 2.238 516 G HA2 -0.231 3.730 3.960 0.002 0.000 0.217 516 G HA3 -0.231 3.730 3.960 0.002 0.000 0.217 516 G C 0.505 175.223 174.900 -0.304 0.000 0.996 516 G CA 0.150 45.172 45.100 -0.129 0.000 0.632 516 G HN 0.760 nan 8.290 nan 0.000 0.503 517 T N -0.044 114.377 114.554 -0.222 0.000 2.907 517 T HA 0.637 4.989 4.350 0.002 0.000 0.298 517 T C 0.394 174.923 174.700 -0.285 0.000 1.017 517 T CA -0.533 61.416 62.100 -0.250 0.000 1.118 517 T CB 1.387 70.183 68.868 -0.120 0.000 0.948 517 T HN 0.248 nan 8.240 nan 0.000 0.531 518 F N 2.163 121.993 119.950 -0.201 0.000 2.490 518 F HA 0.297 4.825 4.527 0.002 0.000 0.336 518 F C 1.138 176.772 175.800 -0.277 0.000 1.178 518 F CA -0.605 57.225 58.000 -0.284 0.000 1.301 518 F CB 0.493 39.287 39.000 -0.343 0.000 1.175 518 F HN 0.685 nan 8.300 nan 0.000 0.593 519 Q N 0.519 120.230 119.800 -0.150 0.000 2.327 519 Q HA 0.547 4.888 4.340 0.002 0.000 0.254 519 Q C -0.931 174.957 176.000 -0.186 0.000 0.952 519 Q CA -0.320 55.297 55.803 -0.309 0.000 0.884 519 Q CB 1.259 29.433 28.738 -0.939 0.000 1.224 519 Q HN 0.446 nan 8.270 nan 0.000 0.422 520 S N 1.919 117.557 115.700 -0.103 0.000 2.548 520 S HA 0.682 5.153 4.470 0.002 0.000 0.286 520 S C -2.320 172.278 174.600 -0.004 0.000 1.098 520 S CA -1.158 57.024 58.200 -0.030 0.000 0.930 520 S CB 1.155 64.349 63.200 -0.010 0.000 1.070 520 S HN 0.810 nan 8.310 nan 0.000 0.480 521 P HA 0.418 nan 4.420 nan 0.000 0.276 521 P C -1.382 175.964 177.300 0.077 0.000 1.244 521 P CA -0.397 62.724 63.100 0.035 0.000 0.801 521 P CB 0.392 32.106 31.700 0.023 0.000 1.006 522 F N 1.005 120.894 119.950 -0.101 0.000 2.411 522 F HA 0.420 4.949 4.527 0.002 0.000 0.352 522 F C -0.218 175.533 175.800 -0.081 0.000 1.123 522 F CA -0.804 57.119 58.000 -0.128 0.000 1.044 522 F CB 1.274 40.158 39.000 -0.194 0.000 1.135 522 F HN 0.217 nan 8.300 nan 0.000 0.461 523 S N 8.337 123.705 115.700 -0.554 0.000 2.566 523 S HA 0.423 4.895 4.470 0.002 0.000 0.324 523 S C -1.748 172.385 174.600 -0.779 0.000 1.081 523 S CA -1.618 56.218 58.200 -0.607 0.000 1.105 523 S CB 1.028 64.105 63.200 -0.205 0.000 0.981 523 S HN 0.547 nan 8.310 nan 0.000 0.464 524 P HA 0.007 nan 4.420 nan 0.000 0.228 524 P C 0.721 177.909 177.300 -0.187 0.000 1.151 524 P CA 0.649 63.357 63.100 -0.654 0.000 0.770 524 P CB 0.079 31.398 31.700 -0.635 0.000 0.786 525 L N -1.238 119.953 121.223 -0.054 0.000 2.607 525 L HA 0.197 4.538 4.340 0.002 0.000 0.228 525 L C 1.298 178.314 176.870 0.244 0.000 1.123 525 L CA -0.219 54.703 54.840 0.136 0.000 0.890 525 L CB -0.222 41.929 42.059 0.153 0.000 1.103 525 L HN -0.118 nan 8.230 nan 0.000 0.468 526 K N 0.547 121.040 120.400 0.155 0.000 2.339 526 K HA 0.069 4.390 4.320 0.002 0.000 0.286 526 K C -1.044 175.783 176.600 0.378 0.000 1.050 526 K CA -0.498 55.961 56.287 0.287 0.000 0.956 526 K CB 0.562 33.170 32.500 0.181 0.000 0.990 526 K HN -0.118 nan 8.250 nan 0.000 0.475 527 W N 3.300 124.761 121.300 0.268 0.000 2.375 527 W HA 0.424 5.085 4.660 0.002 0.000 0.336 527 W C 0.899 177.590 176.519 0.287 0.000 1.160 527 W CA 1.109 58.663 57.345 0.349 0.000 1.266 527 W CB 0.999 30.720 29.460 0.436 0.000 1.195 527 W HN 1.008 nan 8.180 nan 0.000 0.599 528 G N 1.785 110.836 108.800 0.419 0.000 2.553 528 G HA2 -0.227 3.734 3.960 0.002 0.000 0.242 528 G HA3 -0.227 3.734 3.960 0.002 0.000 0.242 528 G C 0.320 174.840 174.900 -0.633 0.000 1.277 528 G CA 0.768 45.740 45.100 -0.213 0.000 0.910 528 G HN 0.754 nan 8.290 nan 0.000 0.576 529 D N -2.694 116.689 120.400 -1.696 0.000 4.508 529 D HA -0.178 4.463 4.640 0.002 0.000 0.178 529 D C 2.205 178.199 176.300 -0.509 0.000 0.644 529 D CA 4.205 57.614 54.000 -0.984 0.000 1.244 529 D CB -1.546 38.995 40.800 -0.432 0.000 0.727 529 D HN 1.841 nan 8.370 nan 0.000 0.495 530 A N -0.616 121.988 122.820 -0.360 0.000 2.014 530 A HA 0.250 4.571 4.320 0.002 0.000 0.218 530 A C 1.038 178.147 177.584 -0.793 0.000 1.163 530 A CA 1.373 53.071 52.037 -0.565 0.000 0.652 530 A CB -0.275 18.274 19.000 -0.752 0.000 0.808 530 A HN 0.252 nan 8.150 nan 0.000 0.449 531 F N -2.018 117.823 119.950 -0.182 0.000 2.613 531 F HA 0.525 5.054 4.527 0.002 0.000 0.342 531 F C 0.375 176.124 175.800 -0.083 0.000 1.066 531 F CA -0.814 57.068 58.000 -0.197 0.000 1.002 531 F CB 1.203 40.159 39.000 -0.074 0.000 1.319 531 F HN -0.357 nan 8.300 nan 0.000 0.495 532 T N 0.796 115.543 114.554 0.322 0.000 2.788 532 T HA 0.269 4.620 4.350 0.002 0.000 0.296 532 T C -0.607 174.387 174.700 0.490 0.000 1.009 532 T CA -0.630 61.678 62.100 0.346 0.000 0.949 532 T CB 0.162 69.230 68.868 0.333 0.000 0.946 532 T HN 0.607 nan 8.240 nan 0.000 0.453 533 E N 1.373 121.862 120.200 0.482 0.000 2.238 533 E HA -0.172 4.179 4.350 0.002 0.000 0.219 533 E C 0.444 177.241 176.600 0.327 0.000 1.275 533 E CA 0.454 57.154 56.400 0.500 0.000 0.714 533 E CB -1.218 28.651 29.700 0.281 0.000 1.154 533 E HN 0.874 nan 8.360 nan 0.000 0.363 534 G N 0.222 109.098 108.800 0.128 0.000 2.495 534 G HA2 0.461 4.423 3.960 0.002 0.000 0.294 534 G HA3 0.461 4.423 3.960 0.002 0.000 0.294 534 G C -1.375 173.228 174.900 -0.495 0.000 1.397 534 G CA -0.350 44.489 45.100 -0.434 0.000 0.790 534 G HN 0.146 nan 8.290 nan 0.000 0.486 535 N N -1.767 116.471 118.700 -0.770 0.000 2.653 535 N HA 0.556 5.297 4.740 0.002 0.000 0.294 535 N C 1.193 176.130 175.510 -0.955 0.000 1.305 535 N CA 0.106 52.740 53.050 -0.693 0.000 0.827 535 N CB 1.276 39.409 38.487 -0.589 0.000 1.415 535 N HN 0.492 nan 8.380 nan 0.000 0.546 536 S N -0.882 114.263 115.700 -0.925 0.000 2.374 536 S HA -0.162 4.310 4.470 0.002 0.000 0.227 536 S C 0.975 175.144 174.600 -0.717 0.000 1.037 536 S CA 1.442 59.064 58.200 -0.964 0.000 1.024 536 S CB -0.625 62.331 63.200 -0.406 0.000 0.861 536 S HN 0.579 nan 8.310 nan 0.000 0.456 537 W N 0.849 121.804 121.300 -0.574 0.000 2.364 537 W HA -0.052 4.610 4.660 0.003 0.000 0.281 537 W C 2.244 178.650 176.519 -0.189 0.000 1.219 537 W CA 1.237 58.349 57.345 -0.387 0.000 1.220 537 W CB -0.365 28.886 29.460 -0.348 0.000 1.127 537 W HN 0.598 nan 8.180 nan 0.000 0.556 538 H N -3.703 115.330 119.070 -0.061 0.000 2.370 538 H HA -0.035 4.523 4.556 0.002 0.000 0.304 538 H C 1.491 176.759 175.328 -0.100 0.000 1.055 538 H CA 1.213 57.213 56.048 -0.080 0.000 1.373 538 H CB -0.463 29.117 29.762 -0.302 0.000 1.423 538 H HN 0.072 nan 8.280 nan 0.000 0.533 539 Y N 0.922 121.080 120.300 -0.237 0.000 2.457 539 Y HA -0.128 4.423 4.550 0.002 0.000 0.292 539 Y C 2.336 178.115 175.900 -0.201 0.000 1.125 539 Y CA 0.711 58.706 58.100 -0.176 0.000 1.254 539 Y CB 0.274 38.580 38.460 -0.257 0.000 1.012 539 Y HN 0.119 nan 8.280 nan 0.000 0.555 540 T N -0.758 113.588 114.554 -0.346 0.000 2.869 540 T HA -0.250 4.101 4.350 0.002 0.000 0.270 540 T C 0.795 175.187 174.700 -0.513 0.000 1.082 540 T CA 1.705 63.485 62.100 -0.533 0.000 1.123 540 T CB -0.456 67.827 68.868 -0.975 0.000 0.856 540 T HN 0.504 nan 8.240 nan 0.000 0.499 541 W N 1.072 122.339 121.300 -0.053 0.000 3.256 541 W HA 0.293 4.955 4.660 0.002 0.000 0.269 541 W C 1.114 177.549 176.519 -0.139 0.000 1.310 541 W CA -0.574 56.712 57.345 -0.098 0.000 1.673 541 W CB -0.159 29.173 29.460 -0.215 0.000 1.115 541 W HN -0.074 nan 8.180 nan 0.000 0.686 542 S N 1.403 117.089 115.700 -0.024 0.000 4.117 542 S HA 0.186 4.657 4.470 0.002 0.000 0.191 542 S C 0.266 174.607 174.600 -0.431 0.000 1.308 542 S CA 0.191 58.171 58.200 -0.366 0.000 0.906 542 S CB -0.441 62.853 63.200 0.157 0.000 1.565 542 S HN -0.037 nan 8.310 nan 0.000 0.439 543 V N 2.941 122.481 119.914 -0.624 0.000 2.575 543 V HA 0.178 4.299 4.120 0.002 0.000 0.281 543 V C 0.395 176.180 176.094 -0.515 0.000 1.087 543 V CA -0.462 61.524 62.300 -0.523 0.000 1.193 543 V CB -0.670 30.725 31.823 -0.712 0.000 1.426 543 V HN 0.659 nan 8.190 nan 0.000 0.623 544 F N 0.436 120.250 119.950 -0.227 0.000 2.184 544 F HA -0.222 4.306 4.527 0.002 0.000 0.301 544 F C 2.455 178.086 175.800 -0.282 0.000 1.076 544 F CA 2.033 59.839 58.000 -0.323 0.000 1.295 544 F CB -0.536 38.097 39.000 -0.612 0.000 1.026 544 F HN 0.627 nan 8.300 nan 0.000 0.494 545 H N -2.167 116.728 119.070 -0.291 0.000 2.553 545 H HA 0.202 4.760 4.556 0.002 0.000 0.265 545 H C -0.240 174.888 175.328 -0.334 0.000 0.964 545 H CA 0.780 56.477 56.048 -0.585 0.000 1.156 545 H CB -0.172 28.875 29.762 -1.191 0.000 1.411 545 H HN 0.249 nan 8.280 nan 0.000 0.558 546 D N 0.397 120.372 120.400 -0.709 0.000 3.118 546 D HA 0.213 4.854 4.640 0.002 0.000 0.286 546 D C -2.143 173.862 176.300 -0.493 0.000 1.255 546 D CA -1.694 51.993 54.000 -0.521 0.000 0.748 546 D CB 0.908 41.420 40.800 -0.480 0.000 1.332 546 D HN -0.044 nan 8.370 nan 0.000 0.575 547 P HA -0.154 nan 4.420 nan 0.000 0.218 547 P C 1.378 178.435 177.300 -0.406 0.000 1.149 547 P CA 0.922 63.720 63.100 -0.504 0.000 0.817 547 P CB 0.418 31.599 31.700 -0.864 0.000 0.785 548 Q N 0.229 119.863 119.800 -0.277 0.000 2.124 548 Q HA -0.079 4.262 4.340 0.002 0.000 0.202 548 Q C 2.186 178.062 176.000 -0.207 0.000 0.977 548 Q CA 2.179 57.850 55.803 -0.221 0.000 0.850 548 Q CB -1.566 27.090 28.738 -0.137 0.000 0.901 548 Q HN 0.177 nan 8.270 nan 0.000 0.429 549 G N 0.352 109.048 108.800 -0.172 0.000 2.462 549 G HA2 -0.227 3.734 3.960 0.002 0.000 0.220 549 G HA3 -0.227 3.734 3.960 0.002 0.000 0.220 549 G C 1.271 176.118 174.900 -0.089 0.000 1.121 549 G CA 0.998 46.057 45.100 -0.068 0.000 0.758 549 G HN 0.417 nan 8.290 nan 0.000 0.559 550 L N 0.230 121.337 121.223 -0.192 0.000 2.202 550 L HA 0.335 4.676 4.340 0.002 0.000 0.205 550 L C 2.579 179.351 176.870 -0.164 0.000 1.083 550 L CA 0.811 55.558 54.840 -0.156 0.000 0.790 550 L CB -0.282 41.708 42.059 -0.115 0.000 0.942 550 L HN 0.209 nan 8.230 nan 0.000 0.452 551 I N -0.034 120.328 120.570 -0.348 0.000 2.076 551 I HA -0.342 3.830 4.170 0.002 0.000 0.237 551 I C 2.097 178.125 176.117 -0.149 0.000 1.059 551 I CA 1.657 62.746 61.300 -0.351 0.000 1.317 551 I CB -0.621 37.077 38.000 -0.504 0.000 1.037 551 I HN 0.256 nan 8.210 nan 0.000 0.398 552 D N 0.940 121.242 120.400 -0.164 0.000 2.154 552 D HA -0.215 4.426 4.640 0.002 0.000 0.190 552 D C 2.270 178.471 176.300 -0.167 0.000 1.003 552 D CA 1.425 55.347 54.000 -0.130 0.000 0.849 552 D CB -0.532 40.193 40.800 -0.125 0.000 0.942 552 D HN 0.295 nan 8.370 nan 0.000 0.446 553 L N -0.281 120.767 121.223 -0.291 0.000 2.129 553 L HA -0.157 4.185 4.340 0.002 0.000 0.212 553 L C 2.376 178.999 176.870 -0.413 0.000 1.087 553 L CA 0.906 55.394 54.840 -0.587 0.000 0.757 553 L CB -0.269 41.050 42.059 -1.234 0.000 0.896 553 L HN 0.103 nan 8.230 nan 0.000 0.434 554 M N -1.608 117.922 119.600 -0.117 0.000 2.509 554 M HA 0.133 4.614 4.480 0.002 0.000 0.250 554 M C 1.163 177.545 176.300 0.136 0.000 1.132 554 M CA 0.821 56.220 55.300 0.166 0.000 1.080 554 M CB 0.607 33.372 32.600 0.276 0.000 1.408 554 M HN 0.399 nan 8.290 nan 0.000 0.484 555 G N 0.673 109.511 108.800 0.064 0.000 2.148 555 G HA2 0.066 4.027 3.960 0.002 0.000 0.157 555 G HA3 0.066 4.027 3.960 0.002 0.000 0.157 555 G C 0.293 175.230 174.900 0.063 0.000 1.012 555 G CA -0.304 44.834 45.100 0.062 0.000 0.677 555 G HN 0.857 nan 8.290 nan 0.000 0.506 556 G N -0.230 108.602 108.800 0.054 0.000 2.619 556 G HA2 0.314 4.275 3.960 0.002 0.000 0.686 556 G HA3 0.314 4.275 3.960 0.002 0.000 0.686 556 G C 0.810 175.777 174.900 0.110 0.000 1.256 556 G CA 0.454 45.585 45.100 0.052 0.000 0.826 556 G HN 1.381 nan 8.290 nan 0.000 0.619 557 K N -0.016 120.438 120.400 0.089 0.000 2.089 557 K HA -0.215 4.106 4.320 0.002 0.000 0.210 557 K C 1.802 178.546 176.600 0.240 0.000 1.048 557 K CA 2.498 58.875 56.287 0.151 0.000 0.926 557 K CB -0.200 32.365 32.500 0.108 0.000 0.714 557 K HN 0.537 nan 8.250 nan 0.000 0.448 558 E N 1.410 121.718 120.200 0.180 0.000 2.051 558 E HA -0.123 4.228 4.350 0.002 0.000 0.192 558 E C 2.252 178.970 176.600 0.197 0.000 0.991 558 E CA 1.856 58.362 56.400 0.177 0.000 0.799 558 E CB -0.383 29.397 29.700 0.134 0.000 0.748 558 E HN 0.394 nan 8.360 nan 0.000 0.449 559 M N -0.268 119.448 119.600 0.194 0.000 2.132 559 M HA -0.038 4.443 4.480 0.002 0.000 0.263 559 M C 2.204 178.655 176.300 0.252 0.000 1.065 559 M CA 1.228 56.644 55.300 0.194 0.000 1.122 559 M CB -0.598 32.103 32.600 0.169 0.000 1.365 559 M HN 0.100 nan 8.290 nan 0.000 0.411 560 F N 1.878 121.911 119.950 0.138 0.000 2.046 560 F HA -0.215 4.313 4.527 0.002 0.000 0.297 560 F C 2.305 178.218 175.800 0.189 0.000 1.123 560 F CA 1.750 59.854 58.000 0.173 0.000 1.199 560 F CB -0.315 38.765 39.000 0.133 0.000 0.972 560 F HN -0.212 nan 8.300 nan 0.000 0.474 561 V N 0.146 120.221 119.914 0.269 0.000 2.317 561 V HA -0.402 3.719 4.120 0.002 0.000 0.251 561 V C 2.299 178.479 176.094 0.144 0.000 1.065 561 V CA 2.530 64.942 62.300 0.186 0.000 1.049 561 V CB -1.174 30.816 31.823 0.278 0.000 0.651 561 V HN 0.510 nan 8.190 nan 0.000 0.450 562 T N -0.683 113.965 114.554 0.157 0.000 2.833 562 T HA -0.145 4.206 4.350 0.002 0.000 0.269 562 T C 1.864 176.652 174.700 0.147 0.000 1.054 562 T CA 1.324 63.513 62.100 0.148 0.000 1.135 562 T CB -0.210 68.744 68.868 0.144 0.000 0.869 562 T HN 0.220 nan 8.240 nan 0.000 0.466 563 M N 0.309 120.000 119.600 0.153 0.000 2.160 563 M HA 0.142 4.623 4.480 0.002 0.000 0.264 563 M C 2.374 178.811 176.300 0.228 0.000 1.073 563 M CA 1.267 56.723 55.300 0.260 0.000 1.142 563 M CB -0.910 31.857 32.600 0.279 0.000 1.358 563 M HN 0.303 nan 8.290 nan 0.000 0.422 564 M N 0.305 119.881 119.600 -0.041 0.000 2.082 564 M HA -0.259 4.222 4.480 0.002 0.000 0.258 564 M C 1.550 177.789 176.300 -0.102 0.000 1.069 564 M CA 1.719 56.796 55.300 -0.373 0.000 1.102 564 M CB -0.892 31.202 32.600 -0.843 0.000 1.336 564 M HN 0.176 nan 8.290 nan 0.000 0.404 565 D N 0.278 120.753 120.400 0.124 0.000 2.133 565 D HA -0.130 4.512 4.640 0.002 0.000 0.195 565 D C 2.044 178.396 176.300 0.086 0.000 0.997 565 D CA 1.461 55.595 54.000 0.224 0.000 0.840 565 D CB -0.404 40.529 40.800 0.222 0.000 0.947 565 D HN 0.240 nan 8.370 nan 0.000 0.452 566 S N -0.083 115.620 115.700 0.004 0.000 2.387 566 S HA -0.137 4.335 4.470 0.002 0.000 0.230 566 S C 2.314 176.701 174.600 -0.355 0.000 1.035 566 S CA 0.663 58.781 58.200 -0.137 0.000 1.014 566 S CB -0.316 62.800 63.200 -0.141 0.000 0.836 566 S HN 0.117 nan 8.310 nan 0.000 0.466 567 V N 0.922 120.583 119.914 -0.422 0.000 2.392 567 V HA -0.199 3.923 4.120 0.002 0.000 0.249 567 V C 1.851 177.594 176.094 -0.586 0.000 1.059 567 V CA 1.782 63.729 62.300 -0.588 0.000 1.051 567 V CB -0.846 30.619 31.823 -0.595 0.000 0.658 567 V HN 0.451 nan 8.190 nan 0.000 0.455 568 F N 0.169 119.919 119.950 -0.332 0.000 2.416 568 F HA 0.171 4.699 4.527 0.002 0.000 0.296 568 F C 2.230 177.943 175.800 -0.144 0.000 1.099 568 F CA 0.975 58.762 58.000 -0.356 0.000 1.427 568 F CB -0.608 37.938 39.000 -0.756 0.000 1.079 568 F HN 0.098 nan 8.300 nan 0.000 0.536 569 A N -0.013 122.824 122.820 0.028 0.000 2.095 569 A HA 0.235 4.556 4.320 0.002 0.000 0.212 569 A C 0.822 178.391 177.584 -0.025 0.000 1.162 569 A CA 0.375 52.441 52.037 0.049 0.000 0.753 569 A CB -0.858 18.180 19.000 0.063 0.000 0.840 569 A HN 0.039 nan 8.150 nan 0.000 0.468 570 V N -1.972 117.865 119.914 -0.128 0.000 2.649 570 V HA 0.414 4.536 4.120 0.002 0.000 0.292 570 V C -2.729 173.317 176.094 -0.081 0.000 1.055 570 V CA -2.631 59.583 62.300 -0.143 0.000 1.023 570 V CB 0.258 31.905 31.823 -0.293 0.000 0.992 570 V HN 0.113 nan 8.190 nan 0.000 0.480 571 P HA 0.131 nan 4.420 nan 0.000 0.267 571 P C -2.436 174.869 177.300 0.009 0.000 1.195 571 P CA -1.028 62.071 63.100 -0.001 0.000 0.773 571 P CB -0.382 31.319 31.700 0.002 0.000 0.837 572 P HA 0.087 nan 4.420 nan 0.000 0.218 572 P C 0.139 177.567 177.300 0.213 0.000 1.793 572 P CA 0.039 63.219 63.100 0.133 0.000 0.941 572 P CB -0.561 31.224 31.700 0.141 0.000 1.919 573 I N -0.772 119.877 120.570 0.131 0.000 2.823 573 I HA 0.492 4.663 4.170 0.002 0.000 0.290 573 I C 0.142 176.404 176.117 0.242 0.000 1.091 573 I CA -0.519 60.829 61.300 0.080 0.000 1.365 573 I CB -0.252 37.733 38.000 -0.025 0.000 1.427 573 I HN -0.009 nan 8.210 nan 0.000 0.583 574 F N 0.696 120.704 119.950 0.097 0.000 2.779 574 F HA 0.677 5.205 4.527 0.002 0.000 0.316 574 F C -1.555 174.321 175.800 0.127 0.000 1.164 574 F CA -1.197 56.907 58.000 0.174 0.000 0.924 574 F CB 1.311 40.373 39.000 0.104 0.000 1.348 574 F HN 0.424 nan 8.300 nan 0.000 0.467 575 D N 0.914 121.591 120.400 0.461 0.000 2.476 575 D HA 0.217 4.859 4.640 0.002 0.000 0.251 575 D C -0.685 175.880 176.300 0.441 0.000 1.291 575 D CA -0.393 53.786 54.000 0.299 0.000 0.939 575 D CB 1.268 42.190 40.800 0.203 0.000 1.221 575 D HN 0.698 nan 8.370 nan 0.000 0.567 576 D N 1.411 122.057 120.400 0.409 0.000 2.369 576 D HA -0.064 4.577 4.640 0.002 0.000 0.211 576 D C 1.216 177.717 176.300 0.336 0.000 1.077 576 D CA 0.073 54.309 54.000 0.394 0.000 0.842 576 D CB -0.020 40.971 40.800 0.318 0.000 0.947 576 D HN 0.228 nan 8.370 nan 0.000 0.509 577 S N 0.390 116.243 115.700 0.255 0.000 2.381 577 S HA -0.371 4.100 4.470 0.002 0.000 0.230 577 S C 1.940 176.645 174.600 0.175 0.000 1.052 577 S CA 1.230 59.539 58.200 0.182 0.000 1.068 577 S CB -1.374 61.915 63.200 0.148 0.000 0.918 577 S HN 0.401 nan 8.310 nan 0.000 0.448 578 Y N 2.047 122.389 120.300 0.070 0.000 2.139 578 Y HA -0.277 4.274 4.550 0.002 0.000 0.282 578 Y C 2.027 177.842 175.900 -0.142 0.000 1.179 578 Y CA 1.652 59.703 58.100 -0.083 0.000 1.161 578 Y CB -0.649 37.690 38.460 -0.200 0.000 0.970 578 Y HN 0.319 nan 8.280 nan 0.000 0.511 579 Y N -1.064 119.278 120.300 0.070 0.000 2.490 579 Y HA 0.213 4.765 4.550 0.002 0.000 0.285 579 Y C 2.212 178.090 175.900 -0.037 0.000 1.117 579 Y CA 0.626 58.700 58.100 -0.042 0.000 1.262 579 Y CB -0.253 38.231 38.460 0.041 0.000 1.043 579 Y HN 0.193 nan 8.280 nan 0.000 0.553 580 G N 0.506 109.393 108.800 0.145 0.000 2.162 580 G HA2 -0.268 3.694 3.960 0.002 0.000 0.260 580 G HA3 -0.268 3.694 3.960 0.002 0.000 0.260 580 G C 0.013 174.974 174.900 0.103 0.000 0.976 580 G CA 0.550 45.706 45.100 0.093 0.000 0.655 580 G HN 0.507 nan 8.290 nan 0.000 0.533 581 Q N -2.114 117.759 119.800 0.121 0.000 2.633 581 Q HA 0.578 4.919 4.340 0.002 0.000 0.289 581 Q C -0.772 175.234 176.000 0.009 0.000 0.940 581 Q CA -1.018 54.831 55.803 0.077 0.000 0.785 581 Q CB 1.358 30.150 28.738 0.089 0.000 1.467 581 Q HN 0.427 nan 8.270 nan 0.000 0.401 582 V N 3.275 123.169 119.914 -0.032 0.000 2.242 582 V HA 0.110 4.231 4.120 0.002 0.000 0.242 582 V C 0.756 176.679 176.094 -0.285 0.000 1.240 582 V CA -0.106 62.079 62.300 -0.192 0.000 1.211 582 V CB -1.679 30.062 31.823 -0.136 0.000 1.338 582 V HN 0.635 nan 8.190 nan 0.000 0.499 583 I N 0.810 121.131 120.570 -0.413 0.000 3.045 583 I HA 0.101 4.272 4.170 0.002 0.000 0.288 583 I C 1.807 177.607 176.117 -0.529 0.000 1.238 583 I CA -0.019 60.987 61.300 -0.491 0.000 1.396 583 I CB 0.190 37.769 38.000 -0.701 0.000 1.355 583 I HN 0.715 nan 8.210 nan 0.000 0.601 584 H N 1.674 120.491 119.070 -0.422 0.000 2.387 584 H HA -0.131 4.426 4.556 0.002 0.000 0.299 584 H C 1.477 176.637 175.328 -0.281 0.000 1.099 584 H CA 1.767 57.635 56.048 -0.300 0.000 1.315 584 H CB -0.435 29.209 29.762 -0.196 0.000 1.380 584 H HN 0.752 nan 8.280 nan 0.000 0.513 585 E N 0.844 120.531 120.200 -0.855 0.000 2.118 585 E HA -0.080 4.272 4.350 0.002 0.000 0.195 585 E C 2.148 178.450 176.600 -0.496 0.000 0.992 585 E CA 1.455 57.569 56.400 -0.476 0.000 0.804 585 E CB -0.133 29.383 29.700 -0.306 0.000 0.741 585 E HN 0.622 nan 8.360 nan 0.000 0.458 586 I N 0.151 120.158 120.570 -0.938 0.000 2.163 586 I HA -0.244 3.927 4.170 0.002 0.000 0.240 586 I C 2.455 178.173 176.117 -0.665 0.000 1.081 586 I CA 0.886 61.457 61.300 -1.215 0.000 1.353 586 I CB -0.168 36.831 38.000 -1.668 0.000 1.054 586 I HN 0.021 nan 8.210 nan 0.000 0.407 587 R N 1.555 121.757 120.500 -0.497 0.000 2.097 587 R HA -0.227 4.115 4.340 0.002 0.000 0.236 587 R C 2.052 178.258 176.300 -0.156 0.000 1.135 587 R CA 1.914 57.853 56.100 -0.268 0.000 0.934 587 R CB -0.542 29.659 30.300 -0.166 0.000 0.846 587 R HN 0.303 nan 8.270 nan 0.000 0.431 588 E N -0.395 119.733 120.200 -0.121 0.000 2.108 588 E HA -0.317 4.034 4.350 0.002 0.000 0.203 588 E C 1.965 178.537 176.600 -0.047 0.000 1.022 588 E CA 2.160 58.530 56.400 -0.051 0.000 0.823 588 E CB -0.267 29.422 29.700 -0.019 0.000 0.744 588 E HN 0.396 nan 8.360 nan 0.000 0.456 589 M N 0.513 120.072 119.600 -0.069 0.000 2.086 589 M HA -0.183 4.298 4.480 0.002 0.000 0.261 589 M C 2.477 178.785 176.300 0.012 0.000 1.067 589 M CA 2.202 57.498 55.300 -0.007 0.000 1.116 589 M CB -0.402 32.251 32.600 0.088 0.000 1.348 589 M HN 0.270 nan 8.290 nan 0.000 0.407 590 T N -1.174 113.368 114.554 -0.021 0.000 2.759 590 T HA -0.126 4.226 4.350 0.002 0.000 0.269 590 T C 1.509 176.234 174.700 0.041 0.000 1.042 590 T CA 1.796 63.916 62.100 0.034 0.000 1.140 590 T CB -1.594 67.296 68.868 0.036 0.000 0.864 590 T HN 0.464 nan 8.240 nan 0.000 0.455 591 V N -1.722 118.204 119.914 0.019 0.000 3.217 591 V HA 0.159 4.280 4.120 0.002 0.000 0.264 591 V C 2.351 178.470 176.094 0.041 0.000 1.135 591 V CA 0.732 63.049 62.300 0.029 0.000 1.142 591 V CB -1.002 30.831 31.823 0.017 0.000 0.754 591 V HN 0.232 nan 8.190 nan 0.000 0.484 592 M N 0.685 120.315 119.600 0.050 0.000 2.349 592 M HA 0.133 4.615 4.480 0.002 0.000 0.266 592 M C 1.236 177.588 176.300 0.087 0.000 1.076 592 M CA 0.708 56.048 55.300 0.066 0.000 1.126 592 M CB -1.743 30.903 32.600 0.077 0.000 1.392 592 M HN 0.823 nan 8.290 nan 0.000 0.440 593 N N 0.666 119.419 118.700 0.089 0.000 2.726 593 N HA -0.175 4.566 4.740 0.002 0.000 0.253 593 N C -0.505 175.093 175.510 0.147 0.000 1.059 593 N CA 0.136 53.248 53.050 0.102 0.000 0.701 593 N CB -0.477 38.063 38.487 0.088 0.000 0.899 593 N HN 0.342 nan 8.380 nan 0.000 0.548 594 M N 0.656 120.352 119.600 0.159 0.000 3.181 594 M HA 0.178 4.660 4.480 0.002 0.000 0.422 594 M C 1.051 177.450 176.300 0.165 0.000 1.481 594 M CA 0.353 55.790 55.300 0.229 0.000 0.783 594 M CB 0.861 33.639 32.600 0.297 0.000 1.437 594 M HN 0.467 nan 8.290 nan 0.000 0.505 595 G N 1.933 110.795 108.800 0.104 0.000 2.583 595 G HA2 -0.319 3.643 3.960 0.002 0.000 0.292 595 G HA3 -0.319 3.643 3.960 0.002 0.000 0.292 595 G C 0.368 175.272 174.900 0.006 0.000 1.203 595 G CA 0.409 45.522 45.100 0.021 0.000 0.987 595 G HN 0.572 nan 8.290 nan 0.000 0.554 596 N N 0.110 118.757 118.700 -0.088 0.000 2.314 596 N HA 0.065 4.807 4.740 0.002 0.000 0.200 596 N C 0.019 175.541 175.510 0.020 0.000 1.135 596 N CA 0.019 53.074 53.050 0.007 0.000 0.835 596 N CB 0.183 38.600 38.487 -0.116 0.000 0.989 596 N HN 0.425 nan 8.380 nan 0.000 0.478 597 Y N 2.103 122.257 120.300 -0.244 0.000 2.620 597 Y HA 0.227 4.778 4.550 0.002 0.000 0.352 597 Y C 0.124 175.928 175.900 -0.159 0.000 1.140 597 Y CA -0.976 56.938 58.100 -0.309 0.000 1.529 597 Y CB -0.190 38.027 38.460 -0.405 0.000 1.321 597 Y HN -0.044 nan 8.280 nan 0.000 0.501 598 A N 5.938 128.369 122.820 -0.648 0.000 3.015 598 A HA 0.095 4.416 4.320 0.002 0.000 0.293 598 A C 1.308 178.508 177.584 -0.640 0.000 1.572 598 A CA -0.305 51.416 52.037 -0.528 0.000 1.274 598 A CB -0.921 17.747 19.000 -0.554 0.000 1.156 598 A HN 1.004 nan 8.150 nan 0.000 0.562 599 H N 2.082 120.692 119.070 -0.767 0.000 2.489 599 H HA -0.125 4.432 4.556 0.002 0.000 0.293 599 H C 1.956 177.049 175.328 -0.391 0.000 1.066 599 H CA 1.474 57.113 56.048 -0.683 0.000 1.305 599 H CB 0.260 29.762 29.762 -0.433 0.000 1.386 599 H HN 0.695 nan 8.280 nan 0.000 0.551 600 G N 0.153 108.800 108.800 -0.256 0.000 2.527 600 G HA2 -0.207 3.755 3.960 0.002 0.000 0.219 600 G HA3 -0.207 3.755 3.960 0.002 0.000 0.219 600 G C 0.414 175.216 174.900 -0.164 0.000 1.117 600 G CA 0.233 45.229 45.100 -0.172 0.000 0.759 600 G HN 0.265 nan 8.290 nan 0.000 0.556 601 N N -1.801 116.758 118.700 -0.235 0.000 2.229 601 N HA 0.373 5.114 4.740 0.002 0.000 0.298 601 N C 0.769 176.143 175.510 -0.227 0.000 1.114 601 N CA -0.671 52.299 53.050 -0.132 0.000 0.776 601 N CB 1.784 40.268 38.487 -0.006 0.000 1.501 601 N HN -0.223 nan 8.380 nan 0.000 0.474 602 Q N 0.889 120.587 119.800 -0.169 0.000 2.181 602 Q HA -0.004 4.337 4.340 0.002 0.000 0.205 602 Q C -1.107 174.705 176.000 -0.314 0.000 0.980 602 Q CA 1.760 57.381 55.803 -0.304 0.000 0.862 602 Q CB -0.872 27.565 28.738 -0.502 0.000 0.905 602 Q HN 0.607 nan 8.270 nan 0.000 0.429 603 P HA -0.092 nan 4.420 nan 0.000 0.219 603 P C 0.879 178.123 177.300 -0.093 0.000 1.150 603 P CA 0.997 63.902 63.100 -0.325 0.000 0.814 603 P CB 0.096 31.437 31.700 -0.598 0.000 0.787 604 I N -0.976 119.498 120.570 -0.159 0.000 3.793 604 I HA 0.005 4.176 4.170 0.002 0.000 0.315 604 I C 1.652 177.738 176.117 -0.051 0.000 1.275 604 I CA 0.342 61.569 61.300 -0.122 0.000 1.214 604 I CB -0.103 37.729 38.000 -0.280 0.000 1.018 604 I HN -0.132 nan 8.210 nan 0.000 0.439 605 Q N 0.085 119.885 119.800 -0.000 0.000 2.364 605 Q HA -0.217 4.124 4.340 0.002 0.000 0.209 605 Q C 1.562 177.803 176.000 0.403 0.000 0.977 605 Q CA 1.251 57.082 55.803 0.047 0.000 0.885 605 Q CB -0.075 28.577 28.738 -0.144 0.000 0.941 605 Q HN 0.716 nan 8.270 nan 0.000 0.464 606 H N -1.419 117.797 119.070 0.244 0.000 2.592 606 H HA 0.130 4.688 4.556 0.002 0.000 0.265 606 H C 1.755 177.228 175.328 0.243 0.000 0.955 606 H CA 0.041 56.248 56.048 0.264 0.000 1.175 606 H CB -0.306 29.671 29.762 0.359 0.000 1.433 606 H HN 0.160 nan 8.280 nan 0.000 0.537 607 M N 1.300 120.639 119.600 -0.435 0.000 2.108 607 M HA -0.164 4.317 4.480 0.002 0.000 0.257 607 M C 1.802 177.875 176.300 -0.378 0.000 1.071 607 M CA 1.583 56.489 55.300 -0.657 0.000 1.093 607 M CB -0.242 31.943 32.600 -0.692 0.000 1.345 607 M HN 0.259 nan 8.290 nan 0.000 0.403 608 I N -0.940 119.553 120.570 -0.129 0.000 2.315 608 I HA -0.309 3.862 4.170 0.002 0.000 0.248 608 I C 1.824 177.945 176.117 0.006 0.000 1.117 608 I CA 1.241 62.486 61.300 -0.091 0.000 1.404 608 I CB -0.616 37.357 38.000 -0.045 0.000 1.071 608 I HN 0.252 nan 8.210 nan 0.000 0.419 609 Y N 0.756 121.119 120.300 0.105 0.000 2.483 609 Y HA -0.147 4.404 4.550 0.002 0.000 0.291 609 Y C 2.324 178.399 175.900 0.293 0.000 1.143 609 Y CA 0.750 58.973 58.100 0.205 0.000 1.289 609 Y CB -0.378 38.220 38.460 0.230 0.000 0.983 609 Y HN 0.136 nan 8.280 nan 0.000 0.556 610 L N -1.660 119.734 121.223 0.285 0.000 2.187 610 L HA -0.280 4.062 4.340 0.002 0.000 0.213 610 L C 1.829 178.932 176.870 0.388 0.000 1.100 610 L CA 1.174 56.200 54.840 0.311 0.000 0.765 610 L CB -0.730 41.369 42.059 0.067 0.000 0.904 610 L HN 0.265 nan 8.230 nan 0.000 0.437 611 Y N 0.635 121.059 120.300 0.206 0.000 2.241 611 Y HA -0.312 4.239 4.550 0.002 0.000 0.286 611 Y C 2.305 178.280 175.900 0.125 0.000 1.166 611 Y CA 1.516 59.688 58.100 0.120 0.000 1.203 611 Y CB -0.612 37.832 38.460 -0.027 0.000 0.977 611 Y HN 0.258 nan 8.280 nan 0.000 0.529 612 D N -1.568 119.029 120.400 0.329 0.000 2.182 612 D HA -0.200 4.441 4.640 0.002 0.000 0.201 612 D C 1.688 178.059 176.300 0.119 0.000 0.986 612 D CA 1.384 55.490 54.000 0.176 0.000 0.847 612 D CB -0.459 40.425 40.800 0.140 0.000 0.942 612 D HN 0.389 nan 8.370 nan 0.000 0.467 613 Y N -0.109 120.272 120.300 0.135 0.000 2.516 613 Y HA 0.183 4.734 4.550 0.002 0.000 0.291 613 Y C 1.959 177.863 175.900 0.008 0.000 1.131 613 Y CA 0.644 58.776 58.100 0.054 0.000 1.281 613 Y CB 0.085 38.540 38.460 -0.009 0.000 1.013 613 Y HN -0.072 nan 8.280 nan 0.000 0.554 614 A N -0.706 122.242 122.820 0.213 0.000 2.500 614 A HA 0.513 4.835 4.320 0.002 0.000 0.267 614 A C 1.691 179.344 177.584 0.115 0.000 1.290 614 A CA 0.385 52.516 52.037 0.157 0.000 0.928 614 A CB -0.823 18.372 19.000 0.325 0.000 1.066 614 A HN 0.443 nan 8.150 nan 0.000 0.516 615 G N -0.311 108.536 108.800 0.077 0.000 2.221 615 G HA2 -0.252 3.709 3.960 0.002 0.000 0.265 615 G HA3 -0.252 3.709 3.960 0.002 0.000 0.265 615 G C 0.011 174.840 174.900 -0.118 0.000 1.041 615 G CA 0.483 45.608 45.100 0.042 0.000 0.807 615 G HN 0.614 nan 8.290 nan 0.000 0.502 616 Q N -0.824 118.777 119.800 -0.332 0.000 2.719 616 Q HA 0.175 4.516 4.340 0.002 0.000 0.376 616 Q C -1.626 173.799 176.000 -0.959 0.000 0.856 616 Q CA -1.441 53.642 55.803 -1.200 0.000 1.038 616 Q CB 1.613 29.720 28.738 -1.052 0.000 1.418 616 Q HN 0.345 nan 8.270 nan 0.000 0.395 617 P HA -0.182 nan 4.420 nan 0.000 0.221 617 P C 0.795 178.095 177.300 0.000 0.000 1.145 617 P CA 1.067 64.132 63.100 -0.058 0.000 0.795 617 P CB -0.129 31.640 31.700 0.115 0.000 0.775 618 W N 1.093 122.459 121.300 0.110 0.000 2.425 618 W HA 0.099 4.760 4.660 0.002 0.000 0.277 618 W C 1.807 178.421 176.519 0.157 0.000 1.231 618 W CA 0.752 58.208 57.345 0.185 0.000 1.248 618 W CB -1.419 28.093 29.460 0.088 0.000 1.117 618 W HN -0.172 nan 8.180 nan 0.000 0.568 619 K N 0.738 120.832 120.400 -0.510 0.000 2.097 619 K HA -0.048 4.273 4.320 0.002 0.000 0.205 619 K C 2.491 178.944 176.600 -0.244 0.000 1.050 619 K CA 1.478 57.475 56.287 -0.484 0.000 0.938 619 K CB -0.500 31.308 32.500 -1.153 0.000 0.718 619 K HN 0.231 nan 8.250 nan 0.000 0.442 620 A N 1.585 124.317 122.820 -0.147 0.000 1.883 620 A HA -0.265 4.057 4.320 0.002 0.000 0.217 620 A C 2.073 179.639 177.584 -0.030 0.000 1.186 620 A CA 1.530 53.595 52.037 0.047 0.000 0.624 620 A CB -0.596 18.439 19.000 0.058 0.000 0.822 620 A HN 0.309 nan 8.150 nan 0.000 0.444 621 Q N -1.924 117.889 119.800 0.022 0.000 2.077 621 Q HA -0.251 4.090 4.340 0.002 0.000 0.206 621 Q C 2.032 177.940 176.000 -0.154 0.000 0.989 621 Q CA 2.116 57.924 55.803 0.009 0.000 0.853 621 Q CB -0.475 28.373 28.738 0.183 0.000 0.907 621 Q HN 0.832 nan 8.270 nan 0.000 0.418 622 Y N -0.401 119.759 120.300 -0.233 0.000 2.070 622 Y HA -0.303 4.248 4.550 0.002 0.000 0.280 622 Y C 1.680 177.165 175.900 -0.692 0.000 1.148 622 Y CA 1.885 59.637 58.100 -0.578 0.000 1.125 622 Y CB -0.530 37.651 38.460 -0.465 0.000 0.975 622 Y HN 0.153 nan 8.280 nan 0.000 0.492 623 W N 0.164 121.251 121.300 -0.355 0.000 2.388 623 W HA -0.139 4.522 4.660 0.002 0.000 0.294 623 W C 2.322 178.557 176.519 -0.473 0.000 1.212 623 W CA 1.120 58.159 57.345 -0.511 0.000 1.271 623 W CB -0.405 28.733 29.460 -0.537 0.000 1.126 623 W HN 0.087 nan 8.180 nan 0.000 0.535 624 L N -0.014 121.117 121.223 -0.154 0.000 2.042 624 L HA -0.231 4.110 4.340 0.002 0.000 0.210 624 L C 2.606 179.360 176.870 -0.193 0.000 1.076 624 L CA 1.298 56.062 54.840 -0.125 0.000 0.749 624 L CB -0.776 41.150 42.059 -0.221 0.000 0.893 624 L HN -0.091 nan 8.230 nan 0.000 0.432 625 R N -0.010 120.246 120.500 -0.406 0.000 2.096 625 R HA -0.145 4.196 4.340 0.002 0.000 0.235 625 R C 2.283 178.298 176.300 -0.474 0.000 1.127 625 R CA 1.329 57.136 56.100 -0.489 0.000 0.968 625 R CB -0.346 29.486 30.300 -0.779 0.000 0.861 625 R HN 0.307 nan 8.270 nan 0.000 0.440 626 Q N -0.196 119.248 119.800 -0.593 0.000 2.084 626 Q HA -0.098 4.243 4.340 0.002 0.000 0.202 626 Q C 2.120 178.024 176.000 -0.160 0.000 0.978 626 Q CA 1.797 57.335 55.803 -0.442 0.000 0.844 626 Q CB -0.277 28.176 28.738 -0.475 0.000 0.898 626 Q HN 0.291 nan 8.270 nan 0.000 0.426 627 V N 0.827 120.690 119.914 -0.084 0.000 2.323 627 V HA -0.225 3.896 4.120 0.002 0.000 0.244 627 V C 2.380 178.566 176.094 0.154 0.000 1.041 627 V CA 1.445 63.754 62.300 0.014 0.000 1.025 627 V CB -0.507 31.280 31.823 -0.060 0.000 0.656 627 V HN 0.311 nan 8.190 nan 0.000 0.451 628 M N -0.295 119.375 119.600 0.117 0.000 2.117 628 M HA -0.200 4.281 4.480 0.002 0.000 0.262 628 M C 1.917 178.308 176.300 0.152 0.000 1.065 628 M CA 1.865 57.232 55.300 0.113 0.000 1.114 628 M CB -0.522 31.983 32.600 -0.158 0.000 1.361 628 M HN 0.324 nan 8.290 nan 0.000 0.408 629 D N -0.259 120.147 120.400 0.009 0.000 2.123 629 D HA -0.059 4.582 4.640 0.002 0.000 0.200 629 D C 2.050 178.377 176.300 0.046 0.000 0.976 629 D CA 1.178 55.173 54.000 -0.008 0.000 0.831 629 D CB 0.019 40.749 40.800 -0.116 0.000 0.974 629 D HN 0.333 nan 8.370 nan 0.000 0.469 630 R N -0.810 119.721 120.500 0.051 0.000 2.195 630 R HA 0.224 4.566 4.340 0.002 0.000 0.197 630 R C 1.526 177.873 176.300 0.078 0.000 0.990 630 R CA 0.209 56.337 56.100 0.047 0.000 1.048 630 R CB 0.218 30.530 30.300 0.019 0.000 0.997 630 R HN 0.072 nan 8.270 nan 0.000 0.502 631 M N -0.032 119.648 119.600 0.133 0.000 2.495 631 M HA 0.171 4.652 4.480 0.002 0.000 0.237 631 M C -0.663 175.588 176.300 -0.081 0.000 1.131 631 M CA 0.510 55.837 55.300 0.044 0.000 1.032 631 M CB 0.081 32.686 32.600 0.009 0.000 1.513 631 M HN -0.053 nan 8.290 nan 0.000 0.488 632 Y N -0.166 120.172 120.300 0.062 0.000 2.386 632 Y HA 0.457 5.008 4.550 0.002 0.000 0.334 632 Y C 0.389 176.246 175.900 -0.071 0.000 1.002 632 Y CA -1.376 56.709 58.100 -0.024 0.000 1.068 632 Y CB 1.530 40.006 38.460 0.027 0.000 1.203 632 Y HN 0.014 nan 8.280 nan 0.000 0.443 633 T N -0.491 114.045 114.554 -0.029 0.000 2.906 633 T HA 0.456 4.807 4.350 0.002 0.000 0.295 633 T C -2.643 171.994 174.700 -0.105 0.000 1.075 633 T CA -2.453 59.622 62.100 -0.042 0.000 1.005 633 T CB 2.681 71.526 68.868 -0.038 0.000 1.136 633 T HN 0.254 nan 8.240 nan 0.000 0.498 634 P HA 0.206 nan 4.420 nan 0.000 0.245 634 P C 0.956 178.215 177.300 -0.069 0.000 1.206 634 P CA 0.133 63.195 63.100 -0.063 0.000 0.781 634 P CB -0.242 31.458 31.700 0.000 0.000 0.994 635 G N 1.613 110.361 108.800 -0.086 0.000 2.535 635 G HA2 0.214 4.175 3.960 0.002 0.000 0.282 635 G HA3 0.214 4.175 3.960 0.002 0.000 0.282 635 G C -1.610 173.196 174.900 -0.157 0.000 1.350 635 G CA -1.109 43.920 45.100 -0.118 0.000 1.039 635 G HN -0.085 nan 8.290 nan 0.000 0.509 636 P HA -0.014 nan 4.420 nan 0.000 0.218 636 P C 0.611 177.819 177.300 -0.152 0.000 1.149 636 P CA 1.179 64.087 63.100 -0.320 0.000 0.817 636 P CB 0.130 31.259 31.700 -0.951 0.000 0.785 637 D N -1.115 119.199 120.400 -0.143 0.000 2.889 637 D HA 0.113 4.755 4.640 0.002 0.000 0.243 637 D C 1.475 177.750 176.300 -0.042 0.000 1.270 637 D CA -0.397 53.573 54.000 -0.050 0.000 0.838 637 D CB -1.004 39.770 40.800 -0.043 0.000 1.040 637 D HN 0.051 nan 8.370 nan 0.000 0.480 638 G N -0.539 108.218 108.800 -0.073 0.000 2.448 638 G HA2 -0.093 3.868 3.960 0.002 0.000 0.218 638 G HA3 -0.093 3.868 3.960 0.002 0.000 0.218 638 G C 0.174 174.914 174.900 -0.268 0.000 1.135 638 G CA 0.341 45.322 45.100 -0.198 0.000 0.784 638 G HN 0.281 nan 8.290 nan 0.000 0.543 639 Y N -1.391 118.863 120.300 -0.078 0.000 2.519 639 Y HA 0.350 4.902 4.550 0.003 0.000 0.324 639 Y C 1.520 177.329 175.900 -0.151 0.000 1.214 639 Y CA -0.946 57.047 58.100 -0.179 0.000 1.260 639 Y CB 1.256 39.643 38.460 -0.122 0.000 1.311 639 Y HN 0.055 nan 8.280 nan 0.000 0.505 640 C N -1.561 117.729 119.300 -0.017 0.000 2.855 640 C HA 0.815 5.276 4.460 0.002 0.000 0.279 640 C C 0.660 175.657 174.990 0.012 0.000 1.270 640 C CA 0.130 59.138 59.018 -0.017 0.000 1.702 640 C CB -1.454 26.255 27.740 -0.052 0.000 1.949 640 C HN 0.937 nan 8.230 nan 0.000 0.618 641 G N -0.340 108.482 108.800 0.036 0.000 2.428 641 G HA2 0.433 4.394 3.960 0.002 0.000 0.304 641 G HA3 0.433 4.394 3.960 0.002 0.000 0.304 641 G C -2.214 172.700 174.900 0.022 0.000 1.303 641 G CA -0.532 44.597 45.100 0.049 0.000 0.825 641 G HN 0.093 nan 8.290 nan 0.000 0.484 642 D N 0.206 120.649 120.400 0.073 0.000 2.423 642 D HA 0.224 4.866 4.640 0.002 0.000 0.238 642 D C 1.217 177.435 176.300 -0.137 0.000 1.142 642 D CA -0.242 53.779 54.000 0.035 0.000 0.884 642 D CB 1.649 42.571 40.800 0.203 0.000 1.199 642 D HN 0.388 nan 8.370 nan 0.000 0.438 643 E N 0.916 120.955 120.200 -0.269 0.000 2.076 643 E HA -0.143 4.208 4.350 0.002 0.000 0.190 643 E C -0.437 176.078 176.600 -0.142 0.000 0.979 643 E CA 0.594 56.743 56.400 -0.418 0.000 0.807 643 E CB 0.131 29.512 29.700 -0.530 0.000 0.761 643 E HN 0.404 nan 8.360 nan 0.000 0.454 644 D N 0.600 120.967 120.400 -0.055 0.000 2.828 644 D HA -0.215 4.426 4.640 0.002 0.000 0.241 644 D C -0.680 175.616 176.300 -0.008 0.000 1.142 644 D CA 1.027 55.050 54.000 0.038 0.000 0.755 644 D CB -2.004 38.880 40.800 0.140 0.000 1.014 644 D HN 0.452 nan 8.370 nan 0.000 0.420 645 N N -1.255 117.370 118.700 -0.124 0.000 2.747 645 N HA -0.225 4.517 4.740 0.002 0.000 0.249 645 N C 1.091 176.670 175.510 0.115 0.000 1.107 645 N CA 1.358 54.315 53.050 -0.155 0.000 0.707 645 N CB -1.035 37.261 38.487 -0.317 0.000 1.054 645 N HN 0.764 nan 8.380 nan 0.000 0.555 646 G N -1.148 107.719 108.800 0.110 0.000 2.316 646 G HA2 -0.349 3.612 3.960 0.002 0.000 0.203 646 G HA3 -0.349 3.612 3.960 0.002 0.000 0.203 646 G C 0.633 175.631 174.900 0.163 0.000 0.999 646 G CA 0.670 45.859 45.100 0.147 0.000 0.649 646 G HN 0.409 nan 8.290 nan 0.000 0.489 647 Q N 1.279 121.161 119.800 0.136 0.000 2.020 647 Q HA 0.038 4.379 4.340 0.002 0.000 0.202 647 Q C 2.411 178.561 176.000 0.251 0.000 0.982 647 Q CA 3.116 59.017 55.803 0.164 0.000 0.838 647 Q CB -0.902 27.889 28.738 0.089 0.000 0.899 647 Q HN 0.462 nan 8.270 nan 0.000 0.423 648 T N -0.086 114.576 114.554 0.180 0.000 2.962 648 T HA -0.013 4.338 4.350 0.002 0.000 0.270 648 T C 1.815 176.853 174.700 0.563 0.000 1.088 648 T CA 1.115 63.368 62.100 0.255 0.000 1.127 648 T CB -0.152 68.725 68.868 0.016 0.000 0.883 648 T HN 0.223 nan 8.240 nan 0.000 0.493 649 S N 1.344 117.311 115.700 0.445 0.000 2.371 649 S HA 0.171 4.642 4.470 0.002 0.000 0.221 649 S C 2.619 177.478 174.600 0.431 0.000 1.036 649 S CA 0.627 59.132 58.200 0.507 0.000 0.965 649 S CB -0.437 62.969 63.200 0.343 0.000 0.845 649 S HN 0.549 nan 8.310 nan 0.000 0.475 650 A N 0.490 123.524 122.820 0.356 0.000 2.024 650 A HA -0.155 4.166 4.320 0.002 0.000 0.220 650 A C 1.750 179.635 177.584 0.501 0.000 1.164 650 A CA 1.292 53.522 52.037 0.323 0.000 0.643 650 A CB -1.007 18.175 19.000 0.303 0.000 0.806 650 A HN 0.717 nan 8.150 nan 0.000 0.451 651 W N -0.753 120.809 121.300 0.438 0.000 2.333 651 W HA -0.289 4.372 4.660 0.002 0.000 0.316 651 W C 2.054 178.840 176.519 0.445 0.000 1.215 651 W CA 2.216 59.898 57.345 0.562 0.000 1.278 651 W CB -0.498 29.292 29.460 0.550 0.000 1.154 651 W HN 0.457 nan 8.180 nan 0.000 0.486 652 Y N 0.395 121.066 120.300 0.620 0.000 2.165 652 Y HA -0.302 4.249 4.550 0.002 0.000 0.286 652 Y C 2.317 178.245 175.900 0.048 0.000 1.155 652 Y CA 2.670 60.869 58.100 0.165 0.000 1.164 652 Y CB -0.891 37.465 38.460 -0.174 0.000 0.978 652 Y HN -0.155 nan 8.280 nan 0.000 0.513 653 V N -0.417 119.628 119.914 0.219 0.000 2.255 653 V HA -0.331 3.791 4.120 0.002 0.000 0.247 653 V C 2.141 178.225 176.094 -0.017 0.000 1.051 653 V CA 2.166 64.448 62.300 -0.030 0.000 1.018 653 V CB -0.966 30.706 31.823 -0.251 0.000 0.641 653 V HN 0.325 nan 8.190 nan 0.000 0.445 654 F N 0.983 120.893 119.950 -0.067 0.000 2.051 654 F HA -0.182 4.346 4.527 0.002 0.000 0.296 654 F C 2.786 178.388 175.800 -0.330 0.000 1.122 654 F CA 2.056 59.931 58.000 -0.208 0.000 1.201 654 F CB -0.884 38.042 39.000 -0.122 0.000 0.978 654 F HN 0.030 nan 8.300 nan 0.000 0.472 655 S N -0.165 115.436 115.700 -0.165 0.000 2.383 655 S HA -0.227 4.244 4.470 0.002 0.000 0.229 655 S C 2.248 176.670 174.600 -0.296 0.000 1.030 655 S CA 1.108 59.102 58.200 -0.343 0.000 1.002 655 S CB -0.796 61.863 63.200 -0.901 0.000 0.829 655 S HN 0.395 nan 8.310 nan 0.000 0.467 656 A N 1.024 123.663 122.820 -0.302 0.000 2.015 656 A HA 0.106 4.428 4.320 0.002 0.000 0.219 656 A C 2.013 179.531 177.584 -0.109 0.000 1.163 656 A CA 0.829 52.722 52.037 -0.240 0.000 0.646 656 A CB -0.527 18.396 19.000 -0.128 0.000 0.806 656 A HN 0.468 nan 8.150 nan 0.000 0.448 657 L N -1.711 119.423 121.223 -0.148 0.000 2.217 657 L HA 0.095 4.436 4.340 0.002 0.000 0.211 657 L C 1.701 178.405 176.870 -0.276 0.000 1.107 657 L CA 0.891 55.585 54.840 -0.245 0.000 0.783 657 L CB -0.252 41.532 42.059 -0.458 0.000 0.919 657 L HN 0.597 nan 8.230 nan 0.000 0.442 658 G N -0.219 108.404 108.800 -0.294 0.000 2.145 658 G HA2 -0.185 3.776 3.960 0.002 0.000 0.145 658 G HA3 -0.185 3.776 3.960 0.002 0.000 0.145 658 G C -0.141 174.878 174.900 0.199 0.000 1.017 658 G CA -0.148 44.934 45.100 -0.029 0.000 0.682 658 G HN 0.283 nan 8.290 nan 0.000 0.504 659 F N -2.713 117.371 119.950 0.224 0.000 2.807 659 F HA 0.804 5.332 4.527 0.003 0.000 0.316 659 F C -1.246 174.654 175.800 0.168 0.000 1.162 659 F CA -2.593 55.547 58.000 0.234 0.000 0.910 659 F CB 0.966 40.089 39.000 0.204 0.000 1.314 659 F HN 0.299 nan 8.300 nan 0.000 0.454 660 Y N 1.317 121.606 120.300 -0.019 0.000 2.482 660 Y HA 0.551 5.102 4.550 0.002 0.000 0.334 660 Y C -2.931 172.713 175.900 -0.427 0.000 1.091 660 Y CA -2.201 55.557 58.100 -0.570 0.000 1.027 660 Y CB 3.171 40.877 38.460 -1.257 0.000 1.306 660 Y HN 0.467 nan 8.280 nan 0.000 0.446 661 P HA 0.074 nan 4.420 nan 0.000 0.260 661 P C 0.370 177.446 177.300 -0.372 0.000 1.651 661 P CA 0.330 63.046 63.100 -0.641 0.000 1.139 661 P CB 0.914 32.178 31.700 -0.726 0.000 1.756 662 V N 2.055 121.960 119.914 -0.015 0.000 2.343 662 V HA -0.166 3.955 4.120 0.002 0.000 0.247 662 V C 1.409 177.574 176.094 0.117 0.000 1.051 662 V CA 1.704 64.147 62.300 0.238 0.000 1.036 662 V CB -0.172 31.869 31.823 0.364 0.000 0.654 662 V HN 0.564 nan 8.190 nan 0.000 0.451 663 C N 1.969 121.289 119.300 0.034 0.000 2.492 663 C HA 0.514 4.975 4.460 0.002 0.000 0.284 663 C C -2.558 172.456 174.990 0.039 0.000 1.082 663 C CA -2.304 56.727 59.018 0.022 0.000 1.555 663 C CB -0.294 27.464 27.740 0.030 0.000 1.798 663 C HN 0.282 nan 8.230 nan 0.000 0.413 664 P HA 0.298 nan 4.420 nan 0.000 0.266 664 P C 0.923 178.351 177.300 0.213 0.000 1.193 664 P CA 2.030 65.171 63.100 0.069 0.000 0.770 664 P CB 0.521 32.296 31.700 0.126 0.000 0.836 665 G N 0.557 109.395 108.800 0.062 0.000 2.279 665 G HA2 -0.206 3.755 3.960 0.002 0.000 0.223 665 G HA3 -0.206 3.755 3.960 0.002 0.000 0.223 665 G C 0.412 175.335 174.900 0.039 0.000 1.015 665 G CA 0.298 45.426 45.100 0.046 0.000 0.621 665 G HN 0.847 nan 8.290 nan 0.000 0.506 666 T N -0.524 114.088 114.554 0.095 0.000 2.824 666 T HA 0.510 4.862 4.350 0.002 0.000 0.277 666 T C 0.768 175.380 174.700 -0.148 0.000 0.975 666 T CA 0.643 62.715 62.100 -0.046 0.000 0.966 666 T CB 1.652 70.463 68.868 -0.095 0.000 1.054 666 T HN 0.414 nan 8.240 nan 0.000 0.533 667 D N -1.113 119.206 120.400 -0.135 0.000 2.358 667 D HA 0.113 4.755 4.640 0.002 0.000 0.224 667 D C -0.027 176.202 176.300 -0.118 0.000 1.123 667 D CA -0.340 53.580 54.000 -0.133 0.000 0.833 667 D CB -0.176 40.605 40.800 -0.033 0.000 0.946 667 D HN 0.725 nan 8.370 nan 0.000 0.505 668 E N -0.177 119.903 120.200 -0.200 0.000 2.214 668 E HA 0.379 4.730 4.350 0.002 0.000 0.274 668 E C -1.061 175.337 176.600 -0.337 0.000 0.977 668 E CA -0.815 55.521 56.400 -0.108 0.000 0.827 668 E CB 1.389 31.052 29.700 -0.062 0.000 1.130 668 E HN 0.123 nan 8.360 nan 0.000 0.394 669 Y N 0.484 120.840 120.300 0.095 0.000 2.326 669 Y HA 0.260 4.811 4.550 0.002 0.000 0.331 669 Y C -0.260 175.733 175.900 0.156 0.000 0.962 669 Y CA -0.977 57.170 58.100 0.078 0.000 1.167 669 Y CB 1.317 39.799 38.460 0.036 0.000 1.148 669 Y HN 0.216 nan 8.280 nan 0.000 0.463 670 V N 4.929 124.993 119.914 0.251 0.000 2.530 670 V HA 0.120 4.241 4.120 0.002 0.000 0.282 670 V C 0.351 176.678 176.094 0.389 0.000 1.048 670 V CA -0.653 61.815 62.300 0.280 0.000 0.997 670 V CB 0.954 32.934 31.823 0.263 0.000 0.987 670 V HN 0.726 nan 8.190 nan 0.000 0.477 671 M N 4.718 124.559 119.600 0.401 0.000 2.239 671 M HA 0.445 4.927 4.480 0.002 0.000 0.348 671 M C 0.698 177.294 176.300 0.492 0.000 1.239 671 M CA 0.833 56.383 55.300 0.418 0.000 1.114 671 M CB 0.714 33.489 32.600 0.291 0.000 1.641 671 M HN 0.793 nan 8.290 nan 0.000 0.453 672 G N 1.300 110.380 108.800 0.468 0.000 2.851 672 G HA2 0.481 4.443 3.960 0.002 0.000 0.208 672 G HA3 0.481 4.443 3.960 0.002 0.000 0.208 672 G C -0.872 174.108 174.900 0.134 0.000 1.894 672 G CA 0.133 45.375 45.100 0.236 0.000 0.732 672 G HN 0.662 nan 8.290 nan 0.000 0.802 673 T N 1.899 116.488 114.554 0.058 0.000 3.395 673 T HA 0.532 4.883 4.350 0.002 0.000 0.330 673 T C -3.072 171.610 174.700 -0.032 0.000 1.076 673 T CA -0.881 61.237 62.100 0.030 0.000 1.070 673 T CB 1.990 70.863 68.868 0.008 0.000 1.119 673 T HN 0.222 nan 8.240 nan 0.000 0.462 674 P HA 0.160 nan 4.420 nan 0.000 0.269 674 P C 0.392 177.614 177.300 -0.130 0.000 1.215 674 P CA -0.441 62.626 63.100 -0.056 0.000 0.780 674 P CB 0.976 32.674 31.700 -0.004 0.000 0.898 675 L N 1.549 122.637 121.223 -0.224 0.000 2.357 675 L HA 0.321 4.662 4.340 0.002 0.000 0.211 675 L C 0.582 177.136 176.870 -0.527 0.000 1.075 675 L CA 0.958 55.533 54.840 -0.442 0.000 0.830 675 L CB -0.279 41.367 42.059 -0.688 0.000 0.996 675 L HN 0.138 nan 8.230 nan 0.000 0.467 676 F N -0.341 119.540 119.950 -0.116 0.000 2.408 676 F HA 0.333 4.861 4.527 0.002 0.000 0.325 676 F C 1.591 177.359 175.800 -0.052 0.000 1.082 676 F CA -0.470 57.482 58.000 -0.080 0.000 1.032 676 F CB 0.687 39.625 39.000 -0.104 0.000 1.259 676 F HN -0.320 nan 8.300 nan 0.000 0.503 677 K N 0.080 120.582 120.400 0.170 0.000 2.217 677 K HA -0.022 4.300 4.320 0.002 0.000 0.202 677 K C 0.134 176.780 176.600 0.076 0.000 1.051 677 K CA 1.053 57.394 56.287 0.090 0.000 0.952 677 K CB 0.218 32.768 32.500 0.083 0.000 0.736 677 K HN 0.390 nan 8.250 nan 0.000 0.453 678 K N -0.233 120.222 120.400 0.092 0.000 2.550 678 K HA 0.463 4.784 4.320 0.002 0.000 0.252 678 K C -2.106 174.482 176.600 -0.021 0.000 0.943 678 K CA -0.556 55.749 56.287 0.031 0.000 0.806 678 K CB 2.058 34.572 32.500 0.023 0.000 1.289 678 K HN -0.024 nan 8.250 nan 0.000 0.435 679 A N 2.108 124.888 122.820 -0.066 0.000 2.414 679 A HA 0.703 5.024 4.320 0.002 0.000 0.306 679 A C -1.211 176.271 177.584 -0.169 0.000 1.054 679 A CA -0.606 51.335 52.037 -0.159 0.000 0.724 679 A CB 1.983 20.887 19.000 -0.161 0.000 1.267 679 A HN 0.537 nan 8.150 nan 0.000 0.418 680 T N 2.889 117.299 114.554 -0.240 0.000 2.840 680 T HA 0.512 4.864 4.350 0.002 0.000 0.287 680 T C -0.614 173.777 174.700 -0.515 0.000 0.991 680 T CA -0.220 61.674 62.100 -0.343 0.000 0.964 680 T CB 0.582 69.261 68.868 -0.314 0.000 0.954 680 T HN 0.471 nan 8.240 nan 0.000 0.438 681 L N 4.593 125.463 121.223 -0.587 0.000 2.264 681 L HA 0.445 4.786 4.340 0.002 0.000 0.289 681 L C 0.110 176.344 176.870 -1.060 0.000 1.044 681 L CA -0.902 53.493 54.840 -0.743 0.000 0.807 681 L CB 0.542 42.163 42.059 -0.731 0.000 1.192 681 L HN 0.567 nan 8.230 nan 0.000 0.425 682 H N 4.099 122.840 119.070 -0.548 0.000 2.597 682 H HA 0.338 4.896 4.556 0.002 0.000 0.303 682 H C -0.506 174.561 175.328 -0.434 0.000 1.057 682 H CA -0.452 55.327 56.048 -0.449 0.000 1.261 682 H CB 0.963 30.598 29.762 -0.213 0.000 1.397 682 H HN 0.278 nan 8.280 nan 0.000 0.461 683 F N 0.764 120.673 119.950 -0.067 0.000 2.370 683 F HA 0.118 4.647 4.527 0.002 0.000 0.319 683 F C 1.978 177.666 175.800 -0.186 0.000 1.129 683 F CA -0.731 57.146 58.000 -0.206 0.000 1.109 683 F CB 0.752 39.505 39.000 -0.412 0.000 1.262 683 F HN 0.488 nan 8.300 nan 0.000 0.534 684 E N 0.317 120.517 120.200 -0.000 0.000 2.265 684 E HA -0.214 4.137 4.350 0.002 0.000 0.196 684 E C 1.200 177.762 176.600 -0.064 0.000 0.996 684 E CA 1.232 57.617 56.400 -0.025 0.000 0.832 684 E CB -0.322 29.372 29.700 -0.010 0.000 0.756 684 E HN 0.657 nan 8.360 nan 0.000 0.491 685 N N -0.697 117.912 118.700 -0.151 0.000 2.461 685 N HA -0.010 4.731 4.740 0.002 0.000 0.188 685 N C 1.224 176.704 175.510 -0.050 0.000 1.134 685 N CA 0.474 53.444 53.050 -0.133 0.000 0.878 685 N CB 0.635 38.973 38.487 -0.248 0.000 0.972 685 N HN 0.123 nan 8.380 nan 0.000 0.456 686 G N 0.240 109.032 108.800 -0.013 0.000 2.195 686 G HA2 -0.247 3.714 3.960 0.002 0.000 0.246 686 G HA3 -0.247 3.714 3.960 0.002 0.000 0.246 686 G C -0.257 174.663 174.900 0.034 0.000 0.984 686 G CA -0.261 44.846 45.100 0.011 0.000 0.633 686 G HN 0.403 nan 8.290 nan 0.000 0.525 687 N N 0.540 119.275 118.700 0.057 0.000 2.463 687 N HA 0.725 5.467 4.740 0.002 0.000 0.270 687 N C -0.158 175.394 175.510 0.070 0.000 1.205 687 N CA 0.230 53.337 53.050 0.096 0.000 0.974 687 N CB 1.511 40.085 38.487 0.145 0.000 1.197 687 N HN 0.224 nan 8.380 nan 0.000 0.504 688 S N -0.009 115.699 115.700 0.013 0.000 2.632 688 S HA 0.658 5.129 4.470 0.002 0.000 0.289 688 S C -1.344 173.183 174.600 -0.120 0.000 1.115 688 S CA -0.582 57.499 58.200 -0.198 0.000 0.889 688 S CB 1.825 64.937 63.200 -0.146 0.000 1.116 688 S HN 0.413 nan 8.310 nan 0.000 0.486 689 L N 2.220 123.285 121.223 -0.263 0.000 2.439 689 L HA 0.691 5.032 4.340 0.002 0.000 0.270 689 L C -1.561 175.220 176.870 -0.147 0.000 0.972 689 L CA -0.392 54.397 54.840 -0.085 0.000 0.836 689 L CB 1.503 43.594 42.059 0.053 0.000 1.255 689 L HN 0.444 nan 8.230 nan 0.000 0.404 690 V N 6.561 126.427 119.914 -0.079 0.000 2.394 690 V HA 0.454 4.576 4.120 0.002 0.000 0.282 690 V C 0.161 176.219 176.094 -0.061 0.000 1.031 690 V CA -0.302 61.948 62.300 -0.083 0.000 0.881 690 V CB 1.513 33.306 31.823 -0.050 0.000 0.982 690 V HN 0.590 nan 8.190 nan 0.000 0.451 691 I N 4.069 124.601 120.570 -0.062 0.000 2.330 691 I HA 0.335 4.506 4.170 0.002 0.000 0.286 691 I C -0.537 175.567 176.117 -0.021 0.000 1.025 691 I CA -0.298 60.978 61.300 -0.040 0.000 1.197 691 I CB 1.237 39.230 38.000 -0.011 0.000 1.358 691 I HN 0.487 nan 8.210 nan 0.000 0.467 692 D N 6.161 126.552 120.400 -0.014 0.000 2.373 692 D HA 0.494 5.136 4.640 0.002 0.000 0.227 692 D C -0.160 176.146 176.300 0.010 0.000 1.091 692 D CA -0.099 53.903 54.000 0.002 0.000 0.840 692 D CB 1.648 42.451 40.800 0.004 0.000 1.060 692 D HN 0.613 nan 8.370 nan 0.000 0.502 693 A N 5.322 128.153 122.820 0.019 0.000 3.248 693 A HA 0.357 4.679 4.320 0.002 0.000 0.315 693 A C -1.710 175.886 177.584 0.021 0.000 0.974 693 A CA -0.880 51.169 52.037 0.020 0.000 0.939 693 A CB 0.678 19.690 19.000 0.019 0.000 1.061 693 A HN 0.355 nan 8.150 nan 0.000 0.481 694 P HA -0.179 nan 4.420 nan 0.000 0.217 694 P C 0.813 178.121 177.300 0.014 0.000 1.148 694 P CA 1.368 64.480 63.100 0.020 0.000 0.828 694 P CB 0.230 31.941 31.700 0.017 0.000 0.783 695 N N -0.956 117.749 118.700 0.008 0.000 2.336 695 N HA -0.017 4.724 4.740 0.002 0.000 0.189 695 N C 0.429 175.934 175.510 -0.008 0.000 1.113 695 N CA -0.216 52.833 53.050 -0.001 0.000 0.858 695 N CB -0.737 37.747 38.487 -0.004 0.000 0.970 695 N HN -0.097 nan 8.380 nan 0.000 0.471 696 N N 0.496 119.193 118.700 -0.004 0.000 2.407 696 N HA -0.005 4.736 4.740 0.002 0.000 0.250 696 N C -0.563 174.933 175.510 -0.024 0.000 1.236 696 N CA 0.513 53.553 53.050 -0.016 0.000 0.879 696 N CB 0.516 38.994 38.487 -0.015 0.000 1.088 696 N HN 0.370 nan 8.380 nan 0.000 0.450 697 S N 0.293 115.972 115.700 -0.035 0.000 2.661 697 S HA 0.262 4.733 4.470 0.002 0.000 0.268 697 S C 0.785 175.367 174.600 -0.030 0.000 1.162 697 S CA -0.391 57.788 58.200 -0.036 0.000 0.817 697 S CB 0.317 63.498 63.200 -0.032 0.000 1.141 697 S HN 0.376 nan 8.310 nan 0.000 0.477 698 T N 1.311 115.849 114.554 -0.027 0.000 2.833 698 T HA -0.003 4.349 4.350 0.002 0.000 0.269 698 T C 1.084 175.817 174.700 0.055 0.000 1.054 698 T CA 2.194 64.291 62.100 -0.006 0.000 1.135 698 T CB -0.443 68.414 68.868 -0.019 0.000 0.869 698 T HN 0.682 nan 8.240 nan 0.000 0.466 699 E N 0.825 121.026 120.200 0.001 0.000 2.364 699 E HA 0.146 4.497 4.350 0.002 0.000 0.196 699 E C 0.511 176.967 176.600 -0.240 0.000 0.990 699 E CA 0.158 56.527 56.400 -0.051 0.000 0.886 699 E CB 0.073 29.739 29.700 -0.057 0.000 0.866 699 E HN 0.486 nan 8.360 nan 0.000 0.493 700 N N 1.047 119.650 118.700 -0.162 0.000 3.188 700 N HA 0.092 4.833 4.740 0.002 0.000 0.279 700 N C -0.434 174.965 175.510 -0.186 0.000 1.213 700 N CA -0.221 52.708 53.050 -0.203 0.000 1.138 700 N CB 0.145 38.577 38.487 -0.093 0.000 1.417 700 N HN 0.160 nan 8.380 nan 0.000 0.526 701 F N -1.672 118.170 119.950 -0.179 0.000 2.721 701 F HA 0.362 4.890 4.527 0.002 0.000 0.301 701 F C -0.070 175.568 175.800 -0.271 0.000 1.096 701 F CA -0.928 56.914 58.000 -0.263 0.000 1.308 701 F CB -0.444 38.337 39.000 -0.367 0.000 1.086 701 F HN -0.019 nan 8.300 nan 0.000 0.587 702 Y N 2.271 122.502 120.300 -0.114 0.000 2.336 702 Y HA 0.358 4.909 4.550 0.002 0.000 0.331 702 Y C 0.690 176.604 175.900 0.024 0.000 1.211 702 Y CA -1.251 56.862 58.100 0.022 0.000 1.346 702 Y CB 0.439 38.863 38.460 -0.060 0.000 1.271 702 Y HN -0.096 nan 8.280 nan 0.000 0.538 703 I N 2.905 123.619 120.570 0.239 0.000 2.301 703 I HA 0.031 4.202 4.170 0.002 0.000 0.292 703 I C 0.412 176.606 176.117 0.129 0.000 1.046 703 I CA 0.061 61.452 61.300 0.152 0.000 1.282 703 I CB 1.116 39.206 38.000 0.150 0.000 1.409 703 I HN 0.735 nan 8.210 nan 0.000 0.484 704 D N 3.952 124.400 120.400 0.080 0.000 2.213 704 D HA -0.042 4.599 4.640 0.002 0.000 0.205 704 D C 0.449 176.777 176.300 0.046 0.000 0.961 704 D CA 0.729 54.756 54.000 0.044 0.000 0.853 704 D CB 0.556 41.363 40.800 0.012 0.000 0.967 704 D HN 0.613 nan 8.370 nan 0.000 0.496 705 S N -1.950 113.784 115.700 0.057 0.000 2.615 705 S HA 0.534 5.005 4.470 0.002 0.000 0.268 705 S C -0.984 173.660 174.600 0.073 0.000 1.146 705 S CA -1.085 57.153 58.200 0.063 0.000 0.818 705 S CB 1.219 64.447 63.200 0.047 0.000 1.111 705 S HN -0.000 nan 8.310 nan 0.000 0.465 706 M N 1.812 121.467 119.600 0.092 0.000 2.619 706 M HA 0.674 5.156 4.480 0.002 0.000 0.297 706 M C -1.024 175.342 176.300 0.111 0.000 1.229 706 M CA -0.505 54.850 55.300 0.092 0.000 0.860 706 M CB 2.697 35.368 32.600 0.118 0.000 1.741 706 M HN 1.020 nan 8.290 nan 0.000 0.462 707 S N 0.701 116.454 115.700 0.087 0.000 2.548 707 S HA 0.709 5.180 4.470 0.002 0.000 0.286 707 S C -1.400 173.281 174.600 0.135 0.000 1.098 707 S CA -0.730 57.546 58.200 0.127 0.000 0.930 707 S CB 2.054 65.316 63.200 0.102 0.000 1.070 707 S HN 0.542 nan 8.310 nan 0.000 0.480 708 F N 2.527 122.472 119.950 -0.008 0.000 2.359 708 F HA 0.479 5.008 4.527 0.002 0.000 0.369 708 F C 0.303 176.095 175.800 -0.014 0.000 1.084 708 F CA -1.437 56.526 58.000 -0.061 0.000 1.096 708 F CB -0.770 38.142 39.000 -0.146 0.000 1.335 708 F HN 0.995 nan 8.300 nan 0.000 0.457 709 N N 3.691 122.577 118.700 0.311 0.000 2.756 709 N HA -0.195 4.547 4.740 0.002 0.000 0.248 709 N C 1.020 176.577 175.510 0.077 0.000 1.062 709 N CA 0.589 53.721 53.050 0.137 0.000 0.696 709 N CB -1.003 37.510 38.487 0.044 0.000 0.946 709 N HN 1.091 nan 8.380 nan 0.000 0.548 710 G N -1.418 107.434 108.800 0.086 0.000 2.320 710 G HA2 -0.286 3.676 3.960 0.002 0.000 0.242 710 G HA3 -0.286 3.676 3.960 0.002 0.000 0.242 710 G C 0.268 175.206 174.900 0.063 0.000 1.033 710 G CA 0.422 45.559 45.100 0.061 0.000 0.620 710 G HN 1.061 nan 8.290 nan 0.000 0.517 711 A N 0.592 123.456 122.820 0.074 0.000 2.362 711 A HA 0.565 4.887 4.320 0.002 0.000 0.276 711 A C 0.246 177.903 177.584 0.121 0.000 1.153 711 A CA 0.658 52.740 52.037 0.076 0.000 0.813 711 A CB 0.440 19.472 19.000 0.053 0.000 1.081 711 A HN 0.658 nan 8.150 nan 0.000 0.507 712 D N 0.973 121.431 120.400 0.097 0.000 2.449 712 D HA 0.014 4.655 4.640 0.002 0.000 0.236 712 D C -0.163 176.233 176.300 0.159 0.000 1.149 712 D CA 0.989 55.055 54.000 0.109 0.000 0.878 712 D CB 0.205 41.044 40.800 0.064 0.000 1.198 712 D HN 0.537 nan 8.370 nan 0.000 0.446 713 H N 2.210 121.312 119.070 0.052 0.000 2.970 713 H HA 0.201 4.758 4.556 0.002 0.000 0.315 713 H C 0.159 175.499 175.328 0.021 0.000 0.992 713 H CA -0.208 55.865 56.048 0.042 0.000 1.363 713 H CB 1.099 30.904 29.762 0.071 0.000 1.532 713 H HN 0.527 nan 8.280 nan 0.000 0.514 714 T N 1.034 115.453 114.554 -0.225 0.000 3.037 714 T HA 0.160 4.511 4.350 0.002 0.000 0.251 714 T C 0.641 175.228 174.700 -0.188 0.000 1.079 714 T CA -0.254 61.772 62.100 -0.124 0.000 1.067 714 T CB 0.567 69.399 68.868 -0.060 0.000 0.948 714 T HN 0.325 nan 8.240 nan 0.000 0.496 715 K N 2.051 122.169 120.400 -0.470 0.000 2.380 715 K HA 0.226 4.548 4.320 0.002 0.000 0.267 715 K C 0.139 176.645 176.600 -0.157 0.000 0.990 715 K CA 0.086 56.143 56.287 -0.384 0.000 0.946 715 K CB 0.189 32.230 32.500 -0.765 0.000 0.937 715 K HN 0.240 nan 8.250 nan 0.000 0.491 716 N N 0.857 119.564 118.700 0.012 0.000 2.327 716 N HA 0.085 4.826 4.740 0.002 0.000 0.231 716 N C -1.354 174.310 175.510 0.257 0.000 1.130 716 N CA -0.319 52.814 53.050 0.138 0.000 0.845 716 N CB 0.010 38.566 38.487 0.116 0.000 1.073 716 N HN 0.461 nan 8.380 nan 0.000 0.496 717 Y N -2.186 118.207 120.300 0.156 0.000 2.656 717 Y HA 0.601 5.152 4.550 0.002 0.000 0.334 717 Y C -1.975 174.058 175.900 0.222 0.000 1.179 717 Y CA -1.461 56.736 58.100 0.160 0.000 1.050 717 Y CB 1.049 39.567 38.460 0.096 0.000 1.308 717 Y HN -0.295 nan 8.280 nan 0.000 0.456 718 L N 2.798 124.211 121.223 0.317 0.000 2.381 718 L HA 0.675 5.016 4.340 0.002 0.000 0.268 718 L C -0.659 176.424 176.870 0.355 0.000 0.997 718 L CA -1.198 53.743 54.840 0.168 0.000 0.818 718 L CB 2.469 44.410 42.059 -0.196 0.000 1.310 718 L HN 0.689 nan 8.230 nan 0.000 0.416 719 R N 0.123 120.813 120.500 0.318 0.000 2.312 719 R HA 0.225 4.567 4.340 0.002 0.000 0.311 719 R C 0.455 176.896 176.300 0.235 0.000 1.004 719 R CA -0.766 55.516 56.100 0.304 0.000 0.902 719 R CB 1.491 31.948 30.300 0.262 0.000 1.073 719 R HN 0.555 nan 8.270 nan 0.000 0.457 720 H N 2.806 121.972 119.070 0.159 0.000 2.265 720 H HA -0.265 4.292 4.556 0.002 0.000 0.293 720 H C 1.936 177.131 175.328 -0.223 0.000 1.089 720 H CA 2.633 58.679 56.048 -0.003 0.000 1.244 720 H CB 0.280 29.985 29.762 -0.095 0.000 1.355 720 H HN 0.791 nan 8.280 nan 0.000 0.485 721 E N -0.192 119.981 120.200 -0.044 0.000 2.130 721 E HA -0.249 4.102 4.350 0.002 0.000 0.196 721 E C 1.258 177.846 176.600 -0.022 0.000 0.998 721 E CA 1.768 58.134 56.400 -0.056 0.000 0.806 721 E CB -0.134 29.579 29.700 0.022 0.000 0.738 721 E HN 0.606 nan 8.360 nan 0.000 0.459 722 D N 0.781 121.195 120.400 0.023 0.000 2.137 722 D HA -0.049 4.592 4.640 0.002 0.000 0.202 722 D C 2.314 178.705 176.300 0.153 0.000 0.970 722 D CA 0.786 54.814 54.000 0.046 0.000 0.837 722 D CB -0.240 40.598 40.800 0.063 0.000 0.981 722 D HN 0.278 nan 8.370 nan 0.000 0.475 723 L N 0.057 121.342 121.223 0.102 0.000 2.042 723 L HA -0.163 4.178 4.340 0.002 0.000 0.210 723 L C 2.363 179.274 176.870 0.069 0.000 1.076 723 L CA 0.773 55.673 54.840 0.100 0.000 0.749 723 L CB -0.498 41.477 42.059 -0.139 0.000 0.893 723 L HN -0.053 nan 8.230 nan 0.000 0.432 724 F N 0.902 120.567 119.950 -0.475 0.000 2.307 724 F HA -0.195 4.333 4.527 0.002 0.000 0.301 724 F C 2.392 178.121 175.800 -0.118 0.000 1.076 724 F CA 1.068 58.749 58.000 -0.531 0.000 1.383 724 F CB -0.673 38.042 39.000 -0.476 0.000 1.055 724 F HN 0.059 nan 8.300 nan 0.000 0.526 725 K N -0.442 120.043 120.400 0.141 0.000 2.228 725 K HA 0.197 4.518 4.320 0.002 0.000 0.202 725 K C 1.265 177.951 176.600 0.142 0.000 1.051 725 K CA 0.660 57.009 56.287 0.104 0.000 0.960 725 K CB -0.319 32.203 32.500 0.036 0.000 0.743 725 K HN 0.362 nan 8.250 nan 0.000 0.458 726 G N -0.270 108.672 108.800 0.236 0.000 2.627 726 G HA2 0.082 4.043 3.960 0.002 0.000 0.214 726 G HA3 0.082 4.043 3.960 0.002 0.000 0.214 726 G C 0.193 175.210 174.900 0.194 0.000 1.331 726 G CA -0.449 44.788 45.100 0.228 0.000 0.891 726 G HN 0.624 nan 8.290 nan 0.000 0.539 727 G N -2.745 106.136 108.800 0.135 0.000 2.464 727 G HA2 0.479 4.440 3.960 0.002 0.000 0.216 727 G HA3 0.479 4.440 3.960 0.002 0.000 0.216 727 G C -0.104 174.869 174.900 0.121 0.000 1.186 727 G CA 0.666 45.843 45.100 0.127 0.000 1.010 727 G HN 2.361 nan 8.290 nan 0.000 0.585 728 T N 0.473 115.118 114.554 0.152 0.000 2.971 728 T HA 0.616 4.967 4.350 0.002 0.000 0.304 728 T C -0.311 174.431 174.700 0.070 0.000 1.038 728 T CA -0.286 61.861 62.100 0.078 0.000 1.007 728 T CB 1.370 70.271 68.868 0.055 0.000 1.055 728 T HN 0.661 nan 8.240 nan 0.000 0.451 729 I N 2.695 123.227 120.570 -0.063 0.000 2.404 729 I HA 0.476 4.647 4.170 0.002 0.000 0.293 729 I C 0.047 176.124 176.117 -0.065 0.000 0.992 729 I CA -0.824 60.385 61.300 -0.152 0.000 1.149 729 I CB 1.834 39.608 38.000 -0.376 0.000 1.315 729 I HN 0.263 nan 8.210 nan 0.000 0.446 730 K N 5.116 125.500 120.400 -0.026 0.000 2.235 730 K HA 0.635 4.956 4.320 0.002 0.000 0.266 730 K C -1.361 175.243 176.600 0.007 0.000 0.980 730 K CA -0.519 55.770 56.287 0.002 0.000 0.849 730 K CB 1.741 34.255 32.500 0.025 0.000 1.098 730 K HN 0.339 nan 8.250 nan 0.000 0.445 731 V N 4.088 124.010 119.914 0.013 0.000 2.378 731 V HA 0.186 4.307 4.120 0.002 0.000 0.288 731 V C -0.812 175.299 176.094 0.028 0.000 1.016 731 V CA -1.006 61.309 62.300 0.027 0.000 0.840 731 V CB 1.588 33.429 31.823 0.030 0.000 0.994 731 V HN 0.764 nan 8.190 nan 0.000 0.431 732 D N 6.227 126.648 120.400 0.034 0.000 2.393 732 D HA 0.294 4.935 4.640 0.002 0.000 0.232 732 D C -0.012 176.305 176.300 0.028 0.000 1.192 732 D CA -0.279 53.737 54.000 0.026 0.000 0.882 732 D CB 1.195 42.010 40.800 0.024 0.000 1.038 732 D HN 0.270 nan 8.370 nan 0.000 0.499 733 M N 1.102 120.713 119.600 0.018 0.000 2.255 733 M HA 0.279 4.761 4.480 0.002 0.000 0.336 733 M C 0.605 176.902 176.300 -0.005 0.000 1.135 733 M CA -0.312 54.995 55.300 0.012 0.000 1.145 733 M CB 1.152 33.752 32.600 -0.001 0.000 1.473 733 M HN 0.253 nan 8.290 nan 0.000 0.462 734 S N 1.085 116.779 115.700 -0.010 0.000 2.588 734 S HA 0.440 4.911 4.470 0.002 0.000 0.269 734 S C 0.107 174.669 174.600 -0.064 0.000 1.157 734 S CA -0.663 57.517 58.200 -0.032 0.000 0.824 734 S CB 1.117 64.305 63.200 -0.020 0.000 1.126 734 S HN 0.728 nan 8.310 nan 0.000 0.464 735 N N 1.433 120.078 118.700 -0.091 0.000 2.398 735 N HA 0.120 4.861 4.740 0.002 0.000 0.188 735 N C -0.068 175.431 175.510 -0.018 0.000 1.122 735 N CA 0.034 53.006 53.050 -0.130 0.000 0.866 735 N CB -0.158 38.247 38.487 -0.138 0.000 0.970 735 N HN 0.338 nan 8.380 nan 0.000 0.462 736 R N 1.314 121.757 120.500 -0.095 0.000 2.532 736 R HA 0.458 4.800 4.340 0.002 0.000 0.295 736 R C -2.593 173.319 176.300 -0.646 0.000 0.968 736 R CA -2.131 53.779 56.100 -0.316 0.000 0.916 736 R CB 1.037 31.195 30.300 -0.237 0.000 1.124 736 R HN 0.142 nan 8.270 nan 0.000 0.463 737 P HA 0.022 nan 4.420 nan 0.000 0.276 737 P C -0.447 176.490 177.300 -0.606 0.000 1.235 737 P CA -0.267 62.165 63.100 -1.114 0.000 0.772 737 P CB 0.552 31.561 31.700 -1.152 0.000 0.871 738 N N 4.272 122.755 118.700 -0.362 0.000 2.521 738 N HA 0.043 4.784 4.740 0.002 0.000 0.236 738 N C 0.838 176.136 175.510 -0.353 0.000 1.067 738 N CA -0.263 52.630 53.050 -0.261 0.000 0.939 738 N CB -0.053 38.383 38.487 -0.085 0.000 1.201 738 N HN 0.168 nan 8.380 nan 0.000 0.511 739 L N 2.464 123.355 121.223 -0.555 0.000 2.633 739 L HA 0.023 4.364 4.340 0.002 0.000 0.235 739 L C 0.992 177.679 176.870 -0.305 0.000 1.163 739 L CA 0.706 55.059 54.840 -0.812 0.000 0.859 739 L CB -0.845 40.813 42.059 -0.669 0.000 0.973 739 L HN 0.530 nan 8.230 nan 0.000 0.451 740 N N -0.921 117.706 118.700 -0.120 0.000 2.317 740 N HA 0.024 4.766 4.740 0.002 0.000 0.199 740 N C 0.935 176.487 175.510 0.071 0.000 1.145 740 N CA -0.049 53.000 53.050 -0.001 0.000 0.882 740 N CB 0.926 39.393 38.487 -0.033 0.000 1.113 740 N HN 0.235 nan 8.380 nan 0.000 0.486 741 R N 0.835 121.386 120.500 0.085 0.000 2.491 741 R HA 0.277 4.618 4.340 0.002 0.000 0.283 741 R C 0.586 176.988 176.300 0.170 0.000 1.072 741 R CA 1.021 57.186 56.100 0.109 0.000 1.048 741 R CB 0.157 30.517 30.300 0.099 0.000 0.983 741 R HN 0.264 nan 8.270 nan 0.000 0.450 742 G N 2.497 111.367 108.800 0.118 0.000 2.147 742 G HA2 -0.293 3.668 3.960 0.002 0.000 0.244 742 G HA3 -0.293 3.668 3.960 0.002 0.000 0.244 742 G C 0.489 175.461 174.900 0.120 0.000 1.005 742 G CA 0.699 45.865 45.100 0.112 0.000 0.713 742 G HN 0.748 nan 8.290 nan 0.000 0.515 743 T N -2.620 112.011 114.554 0.128 0.000 3.001 743 T HA 0.376 4.727 4.350 0.002 0.000 0.251 743 T C 1.037 175.790 174.700 0.089 0.000 1.040 743 T CA 0.525 62.703 62.100 0.130 0.000 0.985 743 T CB 0.633 69.608 68.868 0.178 0.000 1.011 743 T HN 0.513 nan 8.240 nan 0.000 0.509 744 K N 1.750 122.192 120.400 0.069 0.000 2.219 744 K HA 0.203 4.525 4.320 0.002 0.000 0.258 744 K C 1.261 177.891 176.600 0.050 0.000 1.008 744 K CA -0.531 55.788 56.287 0.053 0.000 0.928 744 K CB 0.826 33.350 32.500 0.040 0.000 0.983 744 K HN -0.083 nan 8.250 nan 0.000 0.484 745 E N 2.606 122.832 120.200 0.042 0.000 2.085 745 E HA -0.241 4.110 4.350 0.002 0.000 0.194 745 E C 1.157 177.787 176.600 0.050 0.000 0.994 745 E CA 1.874 58.298 56.400 0.039 0.000 0.801 745 E CB 0.149 29.866 29.700 0.028 0.000 0.743 745 E HN 0.685 nan 8.360 nan 0.000 0.453 746 E N -0.152 120.079 120.200 0.052 0.000 2.472 746 E HA -0.125 4.226 4.350 0.002 0.000 0.200 746 E C 0.964 177.620 176.600 0.094 0.000 1.046 746 E CA 0.865 57.307 56.400 0.070 0.000 0.871 746 E CB 0.001 29.731 29.700 0.049 0.000 0.806 746 E HN 0.124 nan 8.360 nan 0.000 0.533 747 D N 0.265 120.710 120.400 0.075 0.000 2.339 747 D HA 0.061 4.703 4.640 0.002 0.000 0.217 747 D C 0.261 176.647 176.300 0.143 0.000 1.050 747 D CA 0.347 54.388 54.000 0.068 0.000 0.856 747 D CB 0.240 41.061 40.800 0.034 0.000 0.922 747 D HN 0.189 nan 8.370 nan 0.000 0.518 748 M N 1.458 121.136 119.600 0.129 0.000 2.249 748 M HA 0.314 4.795 4.480 0.002 0.000 0.351 748 M C -2.180 174.129 176.300 0.015 0.000 1.180 748 M CA -1.941 53.386 55.300 0.045 0.000 1.127 748 M CB 0.656 33.263 32.600 0.012 0.000 1.546 748 M HN -0.298 nan 8.290 nan 0.000 0.461 749 P HA 0.108 nan 4.420 nan 0.000 0.277 749 P C -0.953 176.285 177.300 -0.102 0.000 1.276 749 P CA -0.376 62.495 63.100 -0.381 0.000 0.788 749 P CB 0.274 31.714 31.700 -0.433 0.000 1.114 750 Y N 0.182 120.399 120.300 -0.138 0.000 2.526 750 Y HA 0.253 4.804 4.550 0.002 0.000 0.330 750 Y C -0.339 175.629 175.900 0.112 0.000 1.156 750 Y CA 0.863 58.967 58.100 0.007 0.000 1.419 750 Y CB 0.262 38.734 38.460 0.021 0.000 1.250 750 Y HN 0.160 nan 8.280 nan 0.000 0.540 751 S N 7.119 122.504 115.700 -0.524 0.000 2.538 751 S HA 0.185 4.657 4.470 0.002 0.000 0.288 751 S C 0.041 174.244 174.600 -0.661 0.000 1.108 751 S CA -0.788 57.152 58.200 -0.434 0.000 0.971 751 S CB 1.022 64.098 63.200 -0.207 0.000 1.041 751 S HN 0.789 nan 8.310 nan 0.000 0.483 752 F N 3.084 122.724 119.950 -0.516 0.000 2.171 752 F HA -0.078 4.450 4.527 0.002 0.000 0.300 752 F C 2.300 178.019 175.800 -0.136 0.000 1.090 752 F CA 1.563 59.445 58.000 -0.198 0.000 1.293 752 F CB -0.594 38.465 39.000 0.099 0.000 1.013 752 F HN 0.569 nan 8.300 nan 0.000 0.486 753 S N 0.012 115.588 115.700 -0.206 0.000 2.365 753 S HA -0.181 4.290 4.470 0.002 0.000 0.225 753 S C 1.107 175.561 174.600 -0.243 0.000 1.039 753 S CA 0.979 59.035 58.200 -0.239 0.000 1.033 753 S CB -0.343 62.770 63.200 -0.145 0.000 0.887 753 S HN 0.280 nan 8.310 nan 0.000 0.447 754 K N 0.999 121.267 120.400 -0.219 0.000 2.187 754 K HA 0.234 4.555 4.320 0.002 0.000 0.247 754 K C 0.434 176.924 176.600 -0.184 0.000 1.019 754 K CA 0.107 56.291 56.287 -0.171 0.000 0.893 754 K CB 0.222 32.633 32.500 -0.149 0.000 1.025 754 K HN 0.356 nan 8.250 nan 0.000 0.500 755 E N -0.753 119.388 120.200 -0.099 0.000 8.256 755 E HA -0.270 4.082 4.350 0.002 0.000 0.535 755 E C -0.424 176.126 176.600 -0.083 0.000 1.444 755 E CA 0.622 56.994 56.400 -0.047 0.000 2.702 755 E CB -0.581 29.115 29.700 -0.007 0.000 1.002 755 E HN 0.604 nan 8.360 nan 0.000 0.282 756 L N -4.352 116.847 121.223 -0.040 0.000 5.198 756 L HA -0.305 4.036 4.340 0.002 0.000 0.414 756 L C 1.153 178.015 176.870 -0.014 0.000 0.922 756 L CA 1.815 56.630 54.840 -0.043 0.000 1.585 756 L CB -2.832 39.161 42.059 -0.110 0.000 1.671 756 L HN 0.846 nan 8.230 nan 0.000 0.621 757 E N 0.000 120.196 120.200 -0.007 0.000 2.725 757 E HA 0.000 4.351 4.350 0.002 0.000 0.291 757 E CA 0.000 56.403 56.400 0.006 0.000 0.976 757 E CB 0.000 29.711 29.700 0.019 0.000 0.812 757 E HN 0.000 nan 8.360 nan 0.000 0.440