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_C 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 YSFSKEL 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 0.000 176.264 176.600 -0.560 0.000 0.988 20 K CA 0.000 56.052 56.287 -0.391 0.000 0.838 20 K CB 0.000 32.248 32.500 -0.420 0.000 1.064 21 D N 0.304 120.276 120.400 -0.713 0.000 2.308 21 D HA 0.677 5.454 4.640 0.227 0.000 0.242 21 D C 0.148 175.918 176.300 -0.884 0.000 1.059 21 D CA -0.327 53.306 54.000 -0.610 0.000 0.830 21 D CB 0.900 41.467 40.800 -0.389 0.000 1.161 21 D HN 0.560 nan 8.370 nan 0.000 0.494 22 W N 1.472 122.616 121.300 -0.260 0.000 3.013 22 W HA 0.079 4.883 4.660 0.240 0.000 0.280 22 W C 2.433 178.755 176.519 -0.327 0.000 1.249 22 W CA 0.275 57.378 57.345 -0.403 0.000 1.577 22 W CB -0.044 29.109 29.460 -0.512 0.000 1.057 22 W HN 0.499 nan 8.180 nan 0.000 0.613 23 T N -0.488 114.042 114.554 -0.041 0.000 2.849 23 T HA -0.321 4.165 4.350 0.227 0.000 0.270 23 T C 1.618 176.265 174.700 -0.088 0.000 1.066 23 T CA 1.657 63.750 62.100 -0.011 0.000 1.130 23 T CB -0.620 68.312 68.868 0.106 0.000 0.864 23 T HN 0.468 nan 8.240 nan 0.000 0.481 24 Q N -0.122 119.534 119.800 -0.240 0.000 2.368 24 Q HA -0.143 4.333 4.340 0.227 0.000 0.210 24 Q C 1.179 177.062 176.000 -0.196 0.000 0.982 24 Q CA 1.277 56.913 55.803 -0.279 0.000 0.884 24 Q CB -0.684 27.770 28.738 -0.474 0.000 0.933 24 Q HN 0.628 nan 8.270 nan 0.000 0.460 25 Y N 0.222 120.550 120.300 0.046 0.000 2.457 25 Y HA 0.281 4.965 4.550 0.224 0.000 0.263 25 Y C 0.453 176.425 175.900 0.120 0.000 1.164 25 Y CA -0.945 57.241 58.100 0.143 0.000 1.274 25 Y CB 0.693 39.337 38.460 0.307 0.000 1.097 25 Y HN -0.115 nan 8.280 nan 0.000 0.523 26 V N 2.189 122.175 119.914 0.121 0.000 2.461 26 V HA 0.120 4.376 4.120 0.227 0.000 0.275 26 V C -0.070 175.954 176.094 -0.116 0.000 1.047 26 V CA -0.603 61.669 62.300 -0.046 0.000 0.955 26 V CB 0.978 32.611 31.823 -0.316 0.000 0.988 26 V HN 0.223 nan 8.190 nan 0.000 0.471 27 N N 6.981 125.635 118.700 -0.077 0.000 2.621 27 N HA 0.400 5.276 4.740 0.227 0.000 0.237 27 N C -2.032 173.428 175.510 -0.084 0.000 0.997 27 N CA -2.243 50.767 53.050 -0.067 0.000 0.918 27 N CB 2.000 40.484 38.487 -0.004 0.000 1.122 27 N HN 0.192 nan 8.380 nan 0.000 0.510 28 P HA 0.009 nan 4.420 nan 0.000 0.231 28 P C 0.733 178.048 177.300 0.024 0.000 1.158 28 P CA 0.885 63.937 63.100 -0.081 0.000 0.763 28 P CB 0.276 31.877 31.700 -0.164 0.000 0.805 29 L N -2.668 118.576 121.223 0.035 0.000 2.567 29 L HA 0.190 4.666 4.340 0.227 0.000 0.225 29 L C 1.337 178.249 176.870 0.071 0.000 1.119 29 L CA -0.188 54.705 54.840 0.089 0.000 0.871 29 L CB -0.397 41.763 42.059 0.169 0.000 1.036 29 L HN 0.068 nan 8.230 nan 0.000 0.459 30 M N 1.133 120.761 119.600 0.046 0.000 2.356 30 M HA 0.147 4.763 4.480 0.227 0.000 0.348 30 M C 1.034 177.418 176.300 0.140 0.000 1.595 30 M CA 1.277 56.587 55.300 0.017 0.000 1.095 30 M CB 0.163 32.737 32.600 -0.042 0.000 1.963 30 M HN 0.308 nan 8.290 nan 0.000 0.459 31 G N 2.215 111.100 108.800 0.142 0.000 2.179 31 G HA2 -0.274 3.823 3.960 0.227 0.000 0.220 31 G HA3 -0.274 3.823 3.960 0.227 0.000 0.220 31 G C 0.587 175.605 174.900 0.198 0.000 0.990 31 G CA 0.532 45.787 45.100 0.259 0.000 0.646 31 G HN 0.878 nan 8.290 nan 0.000 0.517 32 S N -0.770 115.052 115.700 0.202 0.000 2.501 32 S HA 0.207 4.813 4.470 0.227 0.000 0.220 32 S C 1.129 175.917 174.600 0.313 0.000 0.997 32 S CA 1.109 59.499 58.200 0.317 0.000 0.919 32 S CB 0.174 63.668 63.200 0.489 0.000 0.778 32 S HN 0.553 nan 8.310 nan 0.000 0.523 33 Q N 2.043 121.959 119.800 0.193 0.000 3.026 33 Q HA 0.361 4.838 4.340 0.227 0.000 0.258 33 Q C -1.133 174.961 176.000 0.158 0.000 1.388 33 Q CA -0.237 55.668 55.803 0.171 0.000 1.000 33 Q CB -0.194 28.563 28.738 0.033 0.000 1.634 33 Q HN 0.364 nan 8.270 nan 0.000 0.571 34 S N 0.628 116.458 115.700 0.216 0.000 2.526 34 S HA 0.580 5.186 4.470 0.227 0.000 0.293 34 S C -0.517 174.217 174.600 0.223 0.000 1.092 34 S CA -0.740 57.596 58.200 0.227 0.000 0.980 34 S CB 1.876 65.251 63.200 0.292 0.000 1.048 34 S HN 0.589 nan 8.310 nan 0.000 0.483 35 T N -0.797 113.839 114.554 0.136 0.000 2.930 35 T HA 0.539 5.025 4.350 0.227 0.000 0.290 35 T C 0.772 175.496 174.700 0.040 0.000 1.052 35 T CA -0.826 61.267 62.100 -0.011 0.000 1.017 35 T CB 0.614 69.464 68.868 -0.030 0.000 1.137 35 T HN 0.375 nan 8.240 nan 0.000 0.511 36 F N 1.612 121.345 119.950 -0.362 0.000 2.147 36 F HA -0.145 4.519 4.527 0.228 0.000 0.301 36 F C 1.905 177.749 175.800 0.073 0.000 1.084 36 F CA 1.947 59.862 58.000 -0.143 0.000 1.268 36 F CB -0.147 38.642 39.000 -0.352 0.000 1.009 36 F HN 0.702 nan 8.300 nan 0.000 0.486 37 E N -0.279 120.018 120.200 0.161 0.000 2.385 37 E HA 0.169 4.655 4.350 0.227 0.000 0.194 37 E C -0.441 176.205 176.600 0.076 0.000 1.013 37 E CA 0.376 56.848 56.400 0.119 0.000 0.866 37 E CB 0.393 30.186 29.700 0.154 0.000 0.832 37 E HN 0.291 nan 8.360 nan 0.000 0.500 38 L N 0.194 121.460 121.223 0.071 0.000 2.680 38 L HA 0.300 4.777 4.340 0.227 0.000 0.260 38 L C -0.955 175.968 176.870 0.089 0.000 0.975 38 L CA -0.346 54.543 54.840 0.081 0.000 0.920 38 L CB 1.705 43.798 42.059 0.058 0.000 1.234 38 L HN -0.139 nan 8.230 nan 0.000 0.429 39 S N 1.588 117.349 115.700 0.103 0.000 2.565 39 S HA 0.489 5.095 4.470 0.227 0.000 0.276 39 S C 0.860 175.530 174.600 0.117 0.000 1.326 39 S CA 0.394 58.661 58.200 0.112 0.000 1.045 39 S CB 0.729 63.990 63.200 0.101 0.000 0.918 39 S HN 0.762 nan 8.310 nan 0.000 0.505 40 T N 0.952 115.581 114.554 0.127 0.000 3.296 40 T HA 0.577 5.063 4.350 0.227 0.000 0.285 40 T C 0.943 175.776 174.700 0.222 0.000 1.014 40 T CA 0.142 62.322 62.100 0.133 0.000 0.920 40 T CB 0.171 69.093 68.868 0.091 0.000 1.143 40 T HN 1.088 nan 8.240 nan 0.000 0.522 41 G N 1.457 110.360 108.800 0.173 0.000 3.611 41 G HA2 -0.088 4.009 3.960 0.227 0.000 0.217 41 G HA3 -0.088 4.009 3.960 0.227 0.000 0.217 41 G C 0.093 174.997 174.900 0.007 0.000 1.023 41 G CA -0.220 44.951 45.100 0.118 0.000 0.887 41 G HN 0.340 nan 8.290 nan 0.000 0.420 42 N N 1.629 120.363 118.700 0.057 0.000 2.714 42 N HA -0.142 4.735 4.740 0.227 0.000 0.253 42 N C 0.274 175.732 175.510 -0.087 0.000 1.024 42 N CA 1.909 54.936 53.050 -0.038 0.000 0.726 42 N CB -1.405 37.010 38.487 -0.120 0.000 0.908 42 N HN 1.310 nan 8.380 nan 0.000 0.542 43 T N -2.582 111.971 114.554 -0.002 0.000 2.926 43 T HA 0.781 5.267 4.350 0.227 0.000 0.289 43 T C -0.085 174.651 174.700 0.060 0.000 1.054 43 T CA -0.814 61.245 62.100 -0.068 0.000 1.015 43 T CB 2.121 70.959 68.868 -0.050 0.000 1.167 43 T HN 0.218 nan 8.240 nan 0.000 0.526 44 Y N -1.917 118.405 120.300 0.038 0.000 2.630 44 Y HA 0.791 5.479 4.550 0.230 0.000 0.337 44 Y C -3.004 172.854 175.900 -0.070 0.000 1.051 44 Y CA -3.661 54.439 58.100 -0.001 0.000 1.121 44 Y CB 0.154 38.618 38.460 0.007 0.000 1.299 44 Y HN 0.364 nan 8.280 nan 0.000 0.498 45 P HA 0.248 nan 4.420 nan 0.000 0.273 45 P C -0.772 176.561 177.300 0.056 0.000 1.428 45 P CA -0.081 62.975 63.100 -0.073 0.000 0.995 45 P CB 0.276 31.825 31.700 -0.251 0.000 1.286 46 A N 6.104 128.939 122.820 0.025 0.000 2.475 46 A HA 0.258 4.714 4.320 0.227 0.000 0.293 46 A C 0.403 177.951 177.584 -0.060 0.000 1.252 46 A CA -0.246 51.760 52.037 -0.052 0.000 0.920 46 A CB -0.730 17.985 19.000 -0.476 0.000 1.125 46 A HN 0.378 nan 8.150 nan 0.000 0.528 47 I N 1.981 122.552 120.570 0.003 0.000 2.301 47 I HA 0.598 4.905 4.170 0.227 0.000 0.292 47 I C 0.531 176.732 176.117 0.140 0.000 1.046 47 I CA 0.214 61.538 61.300 0.040 0.000 1.282 47 I CB -0.264 37.753 38.000 0.028 0.000 1.409 47 I HN 0.703 nan 8.210 nan 0.000 0.484 48 A N 6.888 129.830 122.820 0.202 0.000 2.544 48 A HA 0.683 5.139 4.320 0.227 0.000 0.291 48 A C -0.695 177.148 177.584 0.431 0.000 1.055 48 A CA -0.870 51.338 52.037 0.284 0.000 0.651 48 A CB 1.511 20.538 19.000 0.045 0.000 1.296 48 A HN 0.473 nan 8.150 nan 0.000 0.431 49 R N 0.035 120.720 120.500 0.310 0.000 2.528 49 R HA 0.525 5.002 4.340 0.227 0.000 0.271 49 R C -2.665 173.590 176.300 -0.075 0.000 1.056 49 R CA -2.150 54.003 56.100 0.089 0.000 1.117 49 R CB -0.188 30.145 30.300 0.056 0.000 1.085 49 R HN 0.437 nan 8.270 nan 0.000 0.530 50 P HA -0.125 nan 4.420 nan 0.000 0.261 50 P C -0.148 177.025 177.300 -0.212 0.000 1.173 50 P CA 0.426 62.984 63.100 -0.903 0.000 0.760 50 P CB 0.181 31.140 31.700 -1.235 0.000 0.783 51 W N 0.202 121.546 121.300 0.074 0.000 5.078 51 W HA -0.171 4.634 4.660 0.241 0.000 0.343 51 W C 0.755 177.373 176.519 0.165 0.000 1.232 51 W CA 0.909 58.350 57.345 0.160 0.000 0.864 51 W CB -2.468 27.109 29.460 0.194 0.000 2.304 51 W HN 0.491 nan 8.180 nan 0.000 1.560 52 G N 0.806 109.845 108.800 0.399 0.000 2.391 52 G HA2 0.167 4.263 3.960 0.227 0.000 0.234 52 G HA3 0.167 4.263 3.960 0.227 0.000 0.234 52 G C 0.832 175.804 174.900 0.119 0.000 1.284 52 G CA 0.316 45.603 45.100 0.311 0.000 0.873 52 G HN 0.252 nan 8.290 nan 0.000 0.549 53 M N 1.636 121.288 119.600 0.086 0.000 2.086 53 M HA -0.051 4.565 4.480 0.227 0.000 0.261 53 M C 0.349 176.725 176.300 0.128 0.000 1.067 53 M CA 1.228 56.584 55.300 0.093 0.000 1.116 53 M CB -0.018 32.637 32.600 0.093 0.000 1.348 53 M HN 0.443 nan 8.290 nan 0.000 0.407 54 N N 0.002 118.765 118.700 0.104 0.000 2.392 54 N HA 0.279 5.155 4.740 0.227 0.000 0.283 54 N C -1.557 173.969 175.510 0.027 0.000 1.003 54 N CA -0.294 52.714 53.050 -0.070 0.000 0.892 54 N CB 1.260 39.774 38.487 0.045 0.000 1.193 54 N HN -0.002 nan 8.380 nan 0.000 0.487 55 F N 0.641 120.379 119.950 -0.353 0.000 2.432 55 F HA 0.478 5.134 4.527 0.215 0.000 0.329 55 F C -0.034 175.500 175.800 -0.443 0.000 1.076 55 F CA -1.233 56.651 58.000 -0.193 0.000 1.018 55 F CB 0.764 39.731 39.000 -0.054 0.000 1.201 55 F HN 0.307 nan 8.300 nan 0.000 0.489 56 W N 0.603 121.968 121.300 0.107 0.000 2.702 56 W HA 0.563 5.357 4.660 0.225 0.000 0.331 56 W C -0.317 176.155 176.519 -0.077 0.000 1.049 56 W CA -0.566 56.765 57.345 -0.023 0.000 1.230 56 W CB 2.176 31.610 29.460 -0.043 0.000 1.408 56 W HN 0.359 nan 8.180 nan 0.000 0.492 57 T N 4.525 119.122 114.554 0.071 0.000 2.933 57 T HA 0.459 4.946 4.350 0.227 0.000 0.305 57 T C -2.785 171.826 174.700 -0.147 0.000 1.092 57 T CA -2.190 59.848 62.100 -0.103 0.000 1.008 57 T CB 1.369 70.133 68.868 -0.172 0.000 1.102 57 T HN 0.033 nan 8.240 nan 0.000 0.469 58 P HA 0.135 nan 4.420 nan 0.000 0.268 58 P C -1.115 176.134 177.300 -0.084 0.000 1.205 58 P CA -0.101 62.802 63.100 -0.329 0.000 0.771 58 P CB 0.461 31.983 31.700 -0.296 0.000 0.858 59 Q N 1.535 121.206 119.800 -0.214 0.000 2.341 59 Q HA 0.291 4.768 4.340 0.227 0.000 0.268 59 Q C 0.580 176.479 176.000 -0.169 0.000 1.013 59 Q CA -0.382 55.350 55.803 -0.119 0.000 0.798 59 Q CB 1.102 29.776 28.738 -0.108 0.000 1.253 59 Q HN 0.527 nan 8.270 nan 0.000 0.457 60 T N -0.219 114.249 114.554 -0.143 0.000 3.023 60 T HA 0.263 4.750 4.350 0.227 0.000 0.249 60 T C 0.855 175.484 174.700 -0.119 0.000 1.050 60 T CA 0.426 62.416 62.100 -0.184 0.000 1.088 60 T CB 0.227 68.937 68.868 -0.264 0.000 0.946 60 T HN 0.511 nan 8.240 nan 0.000 0.480 61 G N 1.430 110.194 108.800 -0.061 0.000 2.539 61 G HA2 0.458 4.554 3.960 0.227 0.000 0.258 61 G HA3 0.458 4.554 3.960 0.227 0.000 0.258 61 G C -0.638 174.233 174.900 -0.049 0.000 1.202 61 G CA -0.830 44.253 45.100 -0.028 0.000 0.851 61 G HN 0.446 nan 8.290 nan 0.000 0.556 62 K N 0.788 121.156 120.400 -0.053 0.000 2.295 62 K HA 0.081 4.537 4.320 0.227 0.000 0.270 62 K C 0.825 177.384 176.600 -0.069 0.000 1.011 62 K CA -0.317 55.923 56.287 -0.078 0.000 0.953 62 K CB 0.988 33.442 32.500 -0.078 0.000 0.956 62 K HN 0.585 nan 8.250 nan 0.000 0.477 63 M N 1.987 121.500 119.600 -0.146 0.000 2.366 63 M HA -0.202 4.415 4.480 0.227 0.000 0.414 63 M C 0.700 176.960 176.300 -0.067 0.000 1.578 63 M CA 2.059 57.241 55.300 -0.197 0.000 0.892 63 M CB -0.502 31.769 32.600 -0.548 0.000 2.082 63 M HN 1.004 nan 8.290 nan 0.000 0.498 64 G N 3.031 111.856 108.800 0.042 0.000 2.232 64 G HA2 -0.221 3.876 3.960 0.227 0.000 0.226 64 G HA3 -0.221 3.876 3.960 0.227 0.000 0.226 64 G C -0.173 174.765 174.900 0.063 0.000 0.996 64 G CA 0.092 45.226 45.100 0.057 0.000 0.626 64 G HN 0.765 nan 8.290 nan 0.000 0.509 65 D N 1.433 121.872 120.400 0.065 0.000 2.371 65 D HA 0.434 5.210 4.640 0.227 0.000 0.256 65 D C 1.751 178.123 176.300 0.119 0.000 1.193 65 D CA 0.745 54.819 54.000 0.123 0.000 0.881 65 D CB 0.856 41.727 40.800 0.119 0.000 1.143 65 D HN 0.227 nan 8.370 nan 0.000 0.473 66 G N 3.860 112.733 108.800 0.123 0.000 2.485 66 G HA2 -0.234 3.863 3.960 0.227 0.000 0.221 66 G HA3 -0.234 3.863 3.960 0.227 0.000 0.221 66 G C 0.711 175.462 174.900 -0.249 0.000 1.115 66 G CA -0.009 44.993 45.100 -0.164 0.000 0.751 66 G HN 0.600 nan 8.290 nan 0.000 0.567 67 W N 2.178 123.428 121.300 -0.083 0.000 1.912 67 W HA 0.221 5.020 4.660 0.232 0.000 0.399 67 W C 1.452 177.962 176.519 -0.015 0.000 0.800 67 W CA -0.456 56.866 57.345 -0.039 0.000 1.593 67 W CB -0.093 29.339 29.460 -0.047 0.000 1.769 67 W HN 0.540 nan 8.180 nan 0.000 0.281 68 Q N 0.908 120.759 119.800 0.085 0.000 2.230 68 Q HA -0.168 4.309 4.340 0.227 0.000 0.202 68 Q C 0.067 176.131 176.000 0.107 0.000 0.963 68 Q CA 1.215 57.040 55.803 0.037 0.000 0.866 68 Q CB 0.087 28.763 28.738 -0.104 0.000 0.931 68 Q HN 0.412 nan 8.270 nan 0.000 0.452 69 Y N 1.203 121.537 120.300 0.057 0.000 2.386 69 Y HA 0.389 5.077 4.550 0.230 0.000 0.334 69 Y C -1.378 174.640 175.900 0.197 0.000 1.002 69 Y CA -0.651 57.510 58.100 0.101 0.000 1.068 69 Y CB 2.242 40.761 38.460 0.099 0.000 1.203 69 Y HN 0.069 nan 8.280 nan 0.000 0.443 70 T N 2.103 116.598 114.554 -0.099 0.000 2.881 70 T HA 0.159 4.645 4.350 0.227 0.000 0.290 70 T C 0.151 174.876 174.700 0.041 0.000 1.000 70 T CA -0.582 61.593 62.100 0.125 0.000 0.978 70 T CB 0.929 69.874 68.868 0.128 0.000 0.997 70 T HN 0.788 nan 8.240 nan 0.000 0.443 71 Y N 2.990 123.407 120.300 0.195 0.000 2.283 71 Y HA -0.170 4.516 4.550 0.227 0.000 0.285 71 Y C 2.398 178.437 175.900 0.231 0.000 1.176 71 Y CA 2.001 60.251 58.100 0.251 0.000 1.229 71 Y CB -0.020 38.517 38.460 0.128 0.000 0.975 71 Y HN 0.750 nan 8.280 nan 0.000 0.537 72 T N 0.290 114.935 114.554 0.152 0.000 3.081 72 T HA 0.302 4.789 4.350 0.227 0.000 0.250 72 T C 0.463 175.105 174.700 -0.097 0.000 1.100 72 T CA 0.352 62.482 62.100 0.050 0.000 1.038 72 T CB -0.425 68.493 68.868 0.082 0.000 0.962 72 T HN 0.343 nan 8.240 nan 0.000 0.516 73 A N 1.619 124.355 122.820 -0.140 0.000 2.477 73 A HA 0.284 4.741 4.320 0.227 0.000 0.246 73 A C 1.136 178.507 177.584 -0.354 0.000 1.078 73 A CA -0.364 51.541 52.037 -0.221 0.000 0.770 73 A CB 0.202 19.083 19.000 -0.198 0.000 1.011 73 A HN 0.221 nan 8.150 nan 0.000 0.494 74 N N 0.677 119.070 118.700 -0.512 0.000 2.376 74 N HA 0.010 4.887 4.740 0.227 0.000 0.177 74 N C -0.088 175.014 175.510 -0.680 0.000 1.024 74 N CA 1.110 53.613 53.050 -0.913 0.000 0.893 74 N CB 0.094 37.605 38.487 -1.627 0.000 0.980 74 N HN 0.646 nan 8.380 nan 0.000 0.439 75 K N 0.321 120.514 120.400 -0.345 0.000 2.371 75 K HA 0.474 4.930 4.320 0.227 0.000 0.251 75 K C -0.774 175.772 176.600 -0.090 0.000 0.934 75 K CA -0.525 55.663 56.287 -0.165 0.000 0.798 75 K CB 2.643 34.953 32.500 -0.317 0.000 1.204 75 K HN -0.146 nan 8.250 nan 0.000 0.427 76 I N 3.237 123.718 120.570 -0.149 0.000 2.377 76 I HA 0.271 4.577 4.170 0.227 0.000 0.293 76 I C 1.266 177.242 176.117 -0.234 0.000 0.987 76 I CA -0.282 60.819 61.300 -0.331 0.000 1.185 76 I CB 1.185 38.839 38.000 -0.576 0.000 1.341 76 I HN 0.675 nan 8.210 nan 0.000 0.455 77 R N 4.418 124.779 120.500 -0.231 0.000 2.509 77 R HA 0.493 4.969 4.340 0.227 0.000 0.297 77 R C 0.165 176.383 176.300 -0.136 0.000 0.951 77 R CA -0.141 55.869 56.100 -0.151 0.000 1.103 77 R CB 1.015 31.230 30.300 -0.141 0.000 1.283 77 R HN 0.702 nan 8.270 nan 0.000 0.534 78 G N 0.504 109.168 108.800 -0.226 0.000 2.466 78 G HA2 0.439 4.535 3.960 0.227 0.000 0.291 78 G HA3 0.439 4.535 3.960 0.227 0.000 0.291 78 G C -1.972 172.732 174.900 -0.327 0.000 1.460 78 G CA -0.850 44.174 45.100 -0.126 0.000 0.791 78 G HN 0.029 nan 8.290 nan 0.000 0.505 79 F N 0.976 120.989 119.950 0.104 0.000 2.427 79 F HA 0.636 5.298 4.527 0.226 0.000 0.348 79 F C 0.443 176.389 175.800 0.244 0.000 1.125 79 F CA -0.779 57.346 58.000 0.209 0.000 0.989 79 F CB 2.520 41.756 39.000 0.394 0.000 1.165 79 F HN 0.181 nan 8.300 nan 0.000 0.442 80 K N 3.424 123.966 120.400 0.236 0.000 2.345 80 K HA 0.273 4.730 4.320 0.227 0.000 0.255 80 K C -0.825 175.381 176.600 -0.657 0.000 0.934 80 K CA -0.659 55.525 56.287 -0.173 0.000 0.801 80 K CB 1.949 34.316 32.500 -0.221 0.000 1.137 80 K HN 0.779 nan 8.250 nan 0.000 0.424 81 Q N 2.323 121.225 119.800 -1.497 0.000 2.304 81 Q HA 0.128 4.604 4.340 0.227 0.000 0.260 81 Q C -1.112 174.233 176.000 -1.092 0.000 0.965 81 Q CA 0.370 55.011 55.803 -1.937 0.000 0.898 81 Q CB 1.104 28.616 28.738 -2.044 0.000 1.196 81 Q HN 0.595 nan 8.270 nan 0.000 0.402 82 T N 2.453 116.442 114.554 -0.942 0.000 2.916 82 T HA 0.376 4.862 4.350 0.227 0.000 0.305 82 T C -0.987 173.268 174.700 -0.743 0.000 1.119 82 T CA -0.496 61.207 62.100 -0.662 0.000 1.008 82 T CB 0.962 69.518 68.868 -0.520 0.000 1.129 82 T HN 0.797 nan 8.240 nan 0.000 0.480 83 H N 0.893 119.767 119.070 -0.328 0.000 2.785 83 H HA 0.367 5.058 4.556 0.224 0.000 0.268 83 H C 0.548 175.870 175.328 -0.009 0.000 1.153 83 H CA -0.365 55.495 56.048 -0.314 0.000 1.111 83 H CB 0.664 29.950 29.762 -0.793 0.000 1.633 83 H HN 0.414 nan 8.280 nan 0.000 0.576 84 Q N 2.862 122.757 119.800 0.158 0.000 2.311 84 Q HA 0.037 4.514 4.340 0.227 0.000 0.272 84 Q C -1.681 174.596 176.000 0.463 0.000 1.012 84 Q CA -1.571 54.383 55.803 0.252 0.000 0.891 84 Q CB 1.108 29.910 28.738 0.106 0.000 1.201 84 Q HN 0.194 nan 8.270 nan 0.000 0.391 85 P HA 0.046 nan 4.420 nan 0.000 0.238 85 P C -0.790 176.493 177.300 -0.028 0.000 1.183 85 P CA 0.420 63.571 63.100 0.084 0.000 0.813 85 P CB 0.586 32.446 31.700 0.266 0.000 0.944 86 S N -2.687 113.022 115.700 0.016 0.000 2.633 86 S HA 0.292 4.898 4.470 0.227 0.000 0.271 86 S C -2.752 171.677 174.600 -0.284 0.000 1.112 86 S CA -0.956 57.179 58.200 -0.108 0.000 0.828 86 S CB 0.991 64.197 63.200 0.010 0.000 1.086 86 S HN -0.243 nan 8.310 nan 0.000 0.461 87 P HA 0.004 nan 4.420 nan 0.000 0.225 87 P C 0.521 177.307 177.300 -0.857 0.000 1.148 87 P CA 1.037 63.503 63.100 -1.057 0.000 0.779 87 P CB -0.267 30.157 31.700 -2.127 0.000 0.780 88 W N -0.695 120.468 121.300 -0.228 0.000 2.539 88 W HA 0.122 4.917 4.660 0.224 0.000 0.281 88 W C 2.259 178.678 176.519 -0.166 0.000 1.220 88 W CA -0.291 56.972 57.345 -0.137 0.000 1.332 88 W CB -0.622 28.769 29.460 -0.116 0.000 1.095 88 W HN -0.232 nan 8.180 nan 0.000 0.571 89 I N 0.237 120.775 120.570 -0.053 0.000 2.500 89 I HA -0.117 4.190 4.170 0.227 0.000 0.252 89 I C 1.338 177.418 176.117 -0.060 0.000 1.142 89 I CA 1.044 62.252 61.300 -0.153 0.000 1.451 89 I CB -1.372 36.440 38.000 -0.313 0.000 1.093 89 I HN 0.182 nan 8.210 nan 0.000 0.430 90 N N 0.960 119.625 118.700 -0.058 0.000 3.558 90 N HA -0.220 4.657 4.740 0.227 0.000 0.226 90 N C -0.323 175.216 175.510 0.047 0.000 0.886 90 N CA 1.191 54.226 53.050 -0.025 0.000 0.948 90 N CB -0.517 37.969 38.487 -0.000 0.000 0.896 90 N HN 0.205 nan 8.380 nan 0.000 0.604 91 D N -1.078 119.364 120.400 0.069 0.000 2.497 91 D HA 0.759 5.535 4.640 0.227 0.000 0.243 91 D C -0.958 175.457 176.300 0.192 0.000 1.039 91 D CA 0.022 54.072 54.000 0.084 0.000 1.052 91 D CB 1.017 41.811 40.800 -0.011 0.000 1.344 91 D HN 0.458 nan 8.370 nan 0.000 0.553 92 Y N -2.714 117.657 120.300 0.117 0.000 2.656 92 Y HA 0.490 5.175 4.550 0.224 0.000 0.334 92 Y C 0.232 176.370 175.900 0.396 0.000 1.179 92 Y CA -1.076 57.119 58.100 0.159 0.000 1.050 92 Y CB 0.853 39.289 38.460 -0.041 0.000 1.308 92 Y HN 0.530 nan 8.280 nan 0.000 0.456 93 G N 2.071 111.258 108.800 0.644 0.000 2.350 93 G HA2 -0.135 3.962 3.960 0.227 0.000 0.298 93 G HA3 -0.135 3.962 3.960 0.227 0.000 0.298 93 G C -0.722 174.312 174.900 0.224 0.000 1.037 93 G CA 0.385 45.815 45.100 0.549 0.000 1.074 93 G HN 1.005 nan 8.290 nan 0.000 0.511 94 Q N -0.682 119.121 119.800 0.004 0.000 2.340 94 Q HA 0.823 5.299 4.340 0.227 0.000 0.268 94 Q C -0.374 175.268 176.000 -0.598 0.000 1.031 94 Q CA -1.211 54.335 55.803 -0.427 0.000 0.804 94 Q CB 2.042 30.419 28.738 -0.601 0.000 1.286 94 Q HN 0.962 nan 8.270 nan 0.000 0.448 95 F N -0.815 118.668 119.950 -0.779 0.000 2.662 95 F HA 0.836 5.499 4.527 0.227 0.000 0.312 95 F C -1.199 174.367 175.800 -0.391 0.000 1.113 95 F CA -0.886 56.726 58.000 -0.646 0.000 0.951 95 F CB 1.666 40.290 39.000 -0.627 0.000 1.344 95 F HN 0.683 nan 8.300 nan 0.000 0.462 96 S N 1.597 117.302 115.700 0.009 0.000 2.595 96 S HA 0.814 5.420 4.470 0.227 0.000 0.281 96 S C -1.638 173.084 174.600 0.204 0.000 1.117 96 S CA -0.732 57.503 58.200 0.058 0.000 0.873 96 S CB 1.963 65.294 63.200 0.217 0.000 1.108 96 S HN 1.135 nan 8.310 nan 0.000 0.477 97 I N 1.624 122.302 120.570 0.180 0.000 2.569 97 I HA 0.755 5.062 4.170 0.227 0.000 0.296 97 I C -1.584 174.652 176.117 0.198 0.000 1.028 97 I CA -1.137 60.248 61.300 0.142 0.000 1.082 97 I CB 1.992 39.961 38.000 -0.053 0.000 1.264 97 I HN 0.881 nan 8.210 nan 0.000 0.429 98 M N 10.611 130.289 119.600 0.129 0.000 2.224 98 M HA 0.585 5.201 4.480 0.227 0.000 0.281 98 M C -2.855 173.415 176.300 -0.051 0.000 1.025 98 M CA -2.145 53.235 55.300 0.133 0.000 0.954 98 M CB 2.174 34.826 32.600 0.086 0.000 1.639 98 M HN 0.132 nan 8.290 nan 0.000 0.461 99 P HA 0.592 nan 4.420 nan 0.000 0.288 99 P C -1.136 176.013 177.300 -0.251 0.000 1.267 99 P CA -0.339 62.547 63.100 -0.357 0.000 0.815 99 P CB 0.717 31.912 31.700 -0.842 0.000 0.989 100 I N -0.124 120.336 120.570 -0.184 0.000 3.279 100 I HA 0.814 5.121 4.170 0.227 0.000 0.315 100 I C -1.031 175.068 176.117 -0.030 0.000 1.225 100 I CA -1.517 59.462 61.300 -0.535 0.000 0.947 100 I CB 2.351 40.045 38.000 -0.510 0.000 1.293 100 I HN 0.209 nan 8.210 nan 0.000 0.468 101 V N -0.439 119.444 119.914 -0.052 0.000 3.007 101 V HA 1.051 5.308 4.120 0.227 0.000 0.311 101 V C 0.092 176.297 176.094 0.185 0.000 1.120 101 V CA 0.401 62.817 62.300 0.193 0.000 0.980 101 V CB 0.696 32.657 31.823 0.229 0.000 1.033 101 V HN 1.996 nan 8.190 nan 0.000 0.429 102 G N 1.950 110.890 108.800 0.233 0.000 2.501 102 G HA2 -0.047 4.049 3.960 0.227 0.000 0.213 102 G HA3 -0.047 4.049 3.960 0.227 0.000 0.213 102 G C -0.667 174.244 174.900 0.019 0.000 1.158 102 G CA -0.035 45.140 45.100 0.125 0.000 1.079 102 G HN 1.123 nan 8.290 nan 0.000 0.586 103 Q N 1.941 121.671 119.800 -0.117 0.000 2.373 103 Q HA 0.426 4.902 4.340 0.227 0.000 0.255 103 Q C -2.146 173.559 176.000 -0.493 0.000 0.980 103 Q CA -1.335 54.304 55.803 -0.275 0.000 0.882 103 Q CB 0.739 29.360 28.738 -0.195 0.000 1.249 103 Q HN 0.475 nan 8.270 nan 0.000 0.438 104 P HA 0.092 nan 4.420 nan 0.000 0.279 104 P C -0.807 176.257 177.300 -0.393 0.000 1.318 104 P CA -0.159 62.388 63.100 -0.921 0.000 0.819 104 P CB 0.299 31.309 31.700 -1.149 0.000 0.927 105 V N 1.662 121.416 119.914 -0.265 0.000 2.540 105 V HA 0.384 4.641 4.120 0.227 0.000 0.302 105 V C 0.706 176.780 176.094 -0.033 0.000 1.035 105 V CA -0.707 61.526 62.300 -0.112 0.000 0.873 105 V CB 1.527 33.294 31.823 -0.093 0.000 0.992 105 V HN 0.286 nan 8.190 nan 0.000 0.428 106 F N 2.170 122.043 119.950 -0.128 0.000 2.387 106 F HA 0.258 4.921 4.527 0.227 0.000 0.294 106 F C 1.278 177.024 175.800 -0.091 0.000 1.093 106 F CA 0.266 58.199 58.000 -0.112 0.000 1.420 106 F CB 0.041 38.962 39.000 -0.131 0.000 1.086 106 F HN 0.783 nan 8.300 nan 0.000 0.531 107 D N 1.163 121.505 120.400 -0.097 0.000 2.658 107 D HA -0.148 4.628 4.640 0.227 0.000 0.230 107 D C 1.386 177.553 176.300 -0.221 0.000 1.118 107 D CA 0.817 54.727 54.000 -0.150 0.000 0.848 107 D CB 0.558 41.325 40.800 -0.056 0.000 1.160 107 D HN 0.615 nan 8.370 nan 0.000 0.497 108 E N 2.460 122.516 120.200 -0.240 0.000 2.268 108 E HA -0.228 4.258 4.350 0.227 0.000 0.195 108 E C 0.852 177.367 176.600 -0.142 0.000 0.995 108 E CA 1.032 57.302 56.400 -0.218 0.000 0.836 108 E CB -0.038 29.532 29.700 -0.216 0.000 0.763 108 E HN 0.664 nan 8.360 nan 0.000 0.491 109 E N 1.110 121.244 120.200 -0.110 0.000 2.140 109 E HA -0.016 4.470 4.350 0.227 0.000 0.191 109 E C 1.868 178.430 176.600 -0.062 0.000 0.973 109 E CA 0.471 56.820 56.400 -0.085 0.000 0.829 109 E CB 0.051 29.708 29.700 -0.071 0.000 0.781 109 E HN 0.219 nan 8.360 nan 0.000 0.466 110 K N 1.097 121.463 120.400 -0.057 0.000 2.228 110 K HA -0.050 4.406 4.320 0.227 0.000 0.202 110 K C 2.228 178.828 176.600 0.001 0.000 1.051 110 K CA 0.765 57.035 56.287 -0.029 0.000 0.960 110 K CB 0.054 32.534 32.500 -0.034 0.000 0.743 110 K HN 0.079 nan 8.250 nan 0.000 0.458 111 R N 0.553 121.043 120.500 -0.018 0.000 2.210 111 R HA 0.216 4.692 4.340 0.227 0.000 0.203 111 R C 0.684 177.075 176.300 0.152 0.000 1.010 111 R CA 0.246 56.377 56.100 0.052 0.000 1.008 111 R CB -0.141 30.136 30.300 -0.039 0.000 0.923 111 R HN -0.095 nan 8.270 nan 0.000 0.469 112 A N 1.807 124.642 122.820 0.025 0.000 2.520 112 A HA 0.226 4.682 4.320 0.227 0.000 0.235 112 A C -0.051 177.499 177.584 -0.057 0.000 1.065 112 A CA 0.230 52.255 52.037 -0.020 0.000 0.764 112 A CB 0.497 19.446 19.000 -0.085 0.000 1.002 112 A HN 0.402 nan 8.150 nan 0.000 0.502 113 S N 1.458 117.104 115.700 -0.089 0.000 2.521 113 S HA 0.514 5.121 4.470 0.227 0.000 0.295 113 S C -0.635 173.988 174.600 0.040 0.000 1.098 113 S CA -0.606 57.513 58.200 -0.134 0.000 0.999 113 S CB 0.278 63.286 63.200 -0.320 0.000 1.034 113 S HN 0.596 nan 8.310 nan 0.000 0.483 114 W N 3.905 125.165 121.300 -0.066 0.000 2.317 114 W HA 0.331 5.128 4.660 0.228 0.000 0.350 114 W C 0.262 176.859 176.519 0.129 0.000 1.258 114 W CA 0.769 58.117 57.345 0.005 0.000 1.336 114 W CB 0.288 29.713 29.460 -0.058 0.000 1.201 114 W HN 0.634 nan 8.180 nan 0.000 0.599 115 F N -0.103 119.951 119.950 0.174 0.000 2.817 115 F HA 0.817 5.480 4.527 0.227 0.000 0.317 115 F C -1.188 174.651 175.800 0.064 0.000 1.168 115 F CA -1.783 56.274 58.000 0.095 0.000 0.911 115 F CB 0.286 39.288 39.000 0.003 0.000 1.337 115 F HN 0.464 nan 8.300 nan 0.000 0.464 116 A N 0.084 122.803 122.820 -0.168 0.000 2.435 116 A HA 0.593 5.049 4.320 0.227 0.000 0.296 116 A C -0.114 177.348 177.584 -0.202 0.000 1.147 116 A CA -0.702 51.087 52.037 -0.413 0.000 0.775 116 A CB 0.667 19.610 19.000 -0.094 0.000 1.340 116 A HN 0.984 nan 8.150 nan 0.000 0.427 117 H N 0.178 119.203 119.070 -0.076 0.000 2.495 117 H HA 0.014 4.706 4.556 0.227 0.000 0.287 117 H C 0.856 176.263 175.328 0.131 0.000 1.033 117 H CA 1.392 57.503 56.048 0.104 0.000 1.307 117 H CB 0.270 30.059 29.762 0.045 0.000 1.401 117 H HN 0.610 nan 8.280 nan 0.000 0.555 118 K N 0.341 120.849 120.400 0.180 0.000 2.486 118 K HA 0.030 4.486 4.320 0.227 0.000 0.194 118 K C 1.600 178.271 176.600 0.118 0.000 1.033 118 K CA 0.395 56.763 56.287 0.135 0.000 1.004 118 K CB 0.450 33.007 32.500 0.096 0.000 0.798 118 K HN 0.146 nan 8.250 nan 0.000 0.495 119 G N 0.947 109.841 108.800 0.157 0.000 3.502 119 G HA2 -0.019 4.077 3.960 0.227 0.000 0.267 119 G HA3 -0.019 4.077 3.960 0.227 0.000 0.267 119 G C -0.434 174.574 174.900 0.180 0.000 1.090 119 G CA -0.167 45.041 45.100 0.181 0.000 0.795 119 G HN 0.154 nan 8.290 nan 0.000 0.535 120 E N 0.313 120.601 120.200 0.146 0.000 2.272 120 E HA 0.514 5.000 4.350 0.227 0.000 0.269 120 E C -1.732 174.849 176.600 -0.033 0.000 0.877 120 E CA -0.567 55.864 56.400 0.052 0.000 0.755 120 E CB 2.702 32.534 29.700 0.220 0.000 1.192 120 E HN -0.118 nan 8.360 nan 0.000 0.422 121 V N 2.654 122.424 119.914 -0.241 0.000 2.409 121 V HA 0.626 4.882 4.120 0.227 0.000 0.290 121 V C -0.480 175.413 176.094 -0.336 0.000 1.017 121 V CA -0.614 61.574 62.300 -0.186 0.000 0.841 121 V CB 1.166 32.941 31.823 -0.080 0.000 1.003 121 V HN 0.734 nan 8.190 nan 0.000 0.426 122 A N 3.869 126.608 122.820 -0.136 0.000 2.273 122 A HA 0.889 5.345 4.320 0.227 0.000 0.315 122 A C 0.148 177.649 177.584 -0.138 0.000 1.256 122 A CA -0.251 51.761 52.037 -0.043 0.000 0.851 122 A CB 1.102 20.191 19.000 0.148 0.000 1.172 122 A HN 0.925 nan 8.150 nan 0.000 0.508 123 T N -0.317 114.085 114.554 -0.253 0.000 2.887 123 T HA 0.692 5.179 4.350 0.227 0.000 0.292 123 T C -2.513 171.875 174.700 -0.520 0.000 1.087 123 T CA -1.792 60.034 62.100 -0.457 0.000 1.009 123 T CB 1.776 70.196 68.868 -0.747 0.000 1.203 123 T HN 0.113 nan 8.240 nan 0.000 0.518 124 P HA 0.005 nan 4.420 nan 0.000 0.220 124 P C 0.835 178.062 177.300 -0.122 0.000 1.148 124 P CA 0.993 63.743 63.100 -0.582 0.000 0.803 124 P CB -0.322 30.617 31.700 -1.267 0.000 0.782 125 Y N -4.018 116.293 120.300 0.019 0.000 2.444 125 Y HA 0.456 5.141 4.550 0.224 0.000 0.249 125 Y C 0.229 176.243 175.900 0.190 0.000 1.134 125 Y CA -1.107 57.102 58.100 0.181 0.000 1.261 125 Y CB -0.183 38.404 38.460 0.212 0.000 1.143 125 Y HN -0.165 nan 8.280 nan 0.000 0.523 126 Y N 0.427 120.442 120.300 -0.475 0.000 2.424 126 Y HA 0.476 5.161 4.550 0.225 0.000 0.323 126 Y C -2.420 173.357 175.900 -0.205 0.000 1.174 126 Y CA -2.326 55.608 58.100 -0.277 0.000 1.060 126 Y CB 1.045 39.358 38.460 -0.246 0.000 1.314 126 Y HN 0.043 nan 8.280 nan 0.000 0.439 127 Y N 6.249 126.099 120.300 -0.751 0.000 2.425 127 Y HA 0.660 5.346 4.550 0.227 0.000 0.344 127 Y C -1.421 174.018 175.900 -0.768 0.000 0.969 127 Y CA -0.850 56.875 58.100 -0.625 0.000 1.052 127 Y CB 1.530 39.818 38.460 -0.287 0.000 1.215 127 Y HN 0.701 nan 8.280 nan 0.000 0.451 128 K N 5.240 124.912 120.400 -1.214 0.000 2.498 128 K HA 0.773 5.230 4.320 0.227 0.000 0.254 128 K C -2.445 173.789 176.600 -0.609 0.000 0.933 128 K CA -0.813 55.052 56.287 -0.705 0.000 0.806 128 K CB 2.323 34.557 32.500 -0.444 0.000 1.301 128 K HN 0.572 nan 8.250 nan 0.000 0.432 129 V N 3.912 123.726 119.914 -0.167 0.000 3.087 129 V HA 0.450 4.706 4.120 0.227 0.000 0.306 129 V C -2.054 174.159 176.094 0.198 0.000 1.187 129 V CA -0.720 61.599 62.300 0.032 0.000 0.999 129 V CB 1.934 33.833 31.823 0.127 0.000 1.049 129 V HN 0.798 nan 8.190 nan 0.000 0.431 130 Y N 5.696 126.067 120.300 0.118 0.000 2.353 130 Y HA 0.645 5.331 4.550 0.227 0.000 0.340 130 Y C -0.429 175.580 175.900 0.181 0.000 0.972 130 Y CA -0.761 57.419 58.100 0.132 0.000 1.157 130 Y CB 1.242 39.766 38.460 0.107 0.000 1.157 130 Y HN 0.566 nan 8.280 nan 0.000 0.495 131 L N 7.825 128.847 121.223 -0.335 0.000 2.328 131 L HA 0.366 4.843 4.340 0.227 0.000 0.280 131 L C 1.374 177.913 176.870 -0.553 0.000 1.111 131 L CA -0.097 54.600 54.840 -0.237 0.000 0.909 131 L CB 0.547 42.606 42.059 -0.001 0.000 1.277 131 L HN 0.926 nan 8.230 nan 0.000 0.433 132 A N 2.371 124.931 122.820 -0.432 0.000 1.948 132 A HA -0.193 4.263 4.320 0.227 0.000 0.220 132 A C 1.987 179.466 177.584 -0.175 0.000 1.177 132 A CA 1.624 53.485 52.037 -0.294 0.000 0.636 132 A CB -0.204 18.824 19.000 0.047 0.000 0.815 132 A HN 0.784 nan 8.150 nan 0.000 0.449 133 E N -1.615 118.467 120.200 -0.196 0.000 2.502 133 E HA -0.036 4.451 4.350 0.227 0.000 0.194 133 E C 0.659 177.116 176.600 -0.239 0.000 1.062 133 E CA 0.304 56.578 56.400 -0.210 0.000 0.867 133 E CB 0.057 29.631 29.700 -0.210 0.000 0.888 133 E HN 0.724 nan 8.360 nan 0.000 0.510 134 H N -0.555 118.495 119.070 -0.033 0.000 2.893 134 H HA 0.048 4.740 4.556 0.227 0.000 0.270 134 H C 0.054 175.384 175.328 0.004 0.000 1.095 134 H CA 0.088 56.140 56.048 0.007 0.000 1.186 134 H CB 0.562 30.330 29.762 0.010 0.000 1.562 134 H HN 0.052 nan 8.280 nan 0.000 0.536 135 D N 0.952 121.357 120.400 0.008 0.000 2.708 135 D HA -0.189 4.588 4.640 0.227 0.000 0.236 135 D C -0.641 175.723 176.300 0.106 0.000 1.146 135 D CA 0.370 54.408 54.000 0.063 0.000 0.662 135 D CB -1.592 39.319 40.800 0.186 0.000 1.059 135 D HN 0.419 nan 8.370 nan 0.000 0.428 136 I N -0.219 120.332 120.570 -0.031 0.000 2.465 136 I HA 0.336 4.642 4.170 0.227 0.000 0.291 136 I C 0.266 176.406 176.117 0.040 0.000 1.014 136 I CA -1.220 60.075 61.300 -0.008 0.000 1.093 136 I CB 2.154 40.070 38.000 -0.140 0.000 1.267 136 I HN -0.244 nan 8.210 nan 0.000 0.431 137 V N 4.751 124.744 119.914 0.130 0.000 2.432 137 V HA 0.331 4.588 4.120 0.227 0.000 0.275 137 V C 0.178 176.332 176.094 0.101 0.000 1.043 137 V CA -0.236 62.168 62.300 0.173 0.000 0.925 137 V CB 1.382 33.316 31.823 0.186 0.000 0.985 137 V HN 0.728 nan 8.190 nan 0.000 0.466 138 T N 5.410 120.023 114.554 0.098 0.000 2.794 138 T HA 0.529 5.016 4.350 0.227 0.000 0.280 138 T C -0.403 174.241 174.700 -0.093 0.000 0.987 138 T CA -0.500 61.604 62.100 0.007 0.000 0.993 138 T CB 1.112 69.873 68.868 -0.179 0.000 0.939 138 T HN 0.750 nan 8.240 nan 0.000 0.449 139 E N 2.662 122.751 120.200 -0.185 0.000 2.288 139 E HA 0.683 5.170 4.350 0.227 0.000 0.268 139 E C -0.561 175.776 176.600 -0.437 0.000 0.885 139 E CA -0.887 55.352 56.400 -0.267 0.000 0.767 139 E CB 2.184 31.830 29.700 -0.090 0.000 1.220 139 E HN 0.638 nan 8.360 nan 0.000 0.427 140 M N -0.509 118.791 119.600 -0.500 0.000 2.371 140 M HA 0.575 5.192 4.480 0.227 0.000 0.287 140 M C -1.406 174.663 176.300 -0.384 0.000 1.149 140 M CA -0.796 54.057 55.300 -0.745 0.000 0.929 140 M CB 2.196 34.035 32.600 -1.269 0.000 1.683 140 M HN 0.356 nan 8.290 nan 0.000 0.470 141 T N 0.567 114.922 114.554 -0.330 0.000 2.985 141 T HA 0.661 5.147 4.350 0.227 0.000 0.315 141 T C -3.092 171.537 174.700 -0.119 0.000 1.001 141 T CA -1.252 60.797 62.100 -0.084 0.000 1.016 141 T CB 1.305 70.198 68.868 0.042 0.000 0.993 141 T HN 0.576 nan 8.240 nan 0.000 0.454 142 P HA 0.477 nan 4.420 nan 0.000 0.282 142 P C -0.025 177.339 177.300 0.105 0.000 1.259 142 P CA -0.258 62.852 63.100 0.018 0.000 0.826 142 P CB 1.550 33.347 31.700 0.162 0.000 1.064 143 T N -2.886 111.739 114.554 0.117 0.000 2.768 143 T HA 0.312 4.798 4.350 0.227 0.000 0.268 143 T C 1.224 176.023 174.700 0.165 0.000 0.969 143 T CA -0.500 61.673 62.100 0.122 0.000 1.008 143 T CB 0.412 69.334 68.868 0.090 0.000 1.371 143 T HN 0.309 nan 8.240 nan 0.000 0.587 144 E N 0.387 120.668 120.200 0.135 0.000 2.085 144 E HA -0.136 4.350 4.350 0.227 0.000 0.194 144 E C 1.843 178.540 176.600 0.163 0.000 0.994 144 E CA 1.209 57.694 56.400 0.141 0.000 0.801 144 E CB -0.052 29.700 29.700 0.085 0.000 0.743 144 E HN 0.473 nan 8.360 nan 0.000 0.453 145 R N -1.352 119.241 120.500 0.156 0.000 2.531 145 R HA 0.340 4.817 4.340 0.227 0.000 0.316 145 R C -0.138 176.304 176.300 0.236 0.000 0.955 145 R CA 0.040 56.247 56.100 0.178 0.000 1.120 145 R CB 1.543 31.912 30.300 0.114 0.000 1.361 145 R HN -0.041 nan 8.270 nan 0.000 0.534 146 A N 0.446 123.393 122.820 0.212 0.000 2.435 146 A HA 0.827 5.283 4.320 0.227 0.000 0.296 146 A C -1.310 176.343 177.584 0.116 0.000 1.147 146 A CA -0.683 51.471 52.037 0.196 0.000 0.775 146 A CB 2.055 21.128 19.000 0.122 0.000 1.340 146 A HN -0.048 nan 8.150 nan 0.000 0.427 147 V N 0.129 120.023 119.914 -0.033 0.000 3.087 147 V HA 0.702 4.958 4.120 0.227 0.000 0.306 147 V C -1.983 173.946 176.094 -0.275 0.000 1.187 147 V CA -0.634 61.479 62.300 -0.312 0.000 0.999 147 V CB 1.946 33.186 31.823 -0.970 0.000 1.049 147 V HN 1.194 nan 8.190 nan 0.000 0.431 148 L N 5.297 126.327 121.223 -0.320 0.000 2.296 148 L HA 0.712 5.188 4.340 0.227 0.000 0.286 148 L C -1.251 175.356 176.870 -0.439 0.000 1.023 148 L CA 0.178 54.868 54.840 -0.249 0.000 0.812 148 L CB 1.280 43.246 42.059 -0.154 0.000 1.223 148 L HN 0.607 nan 8.230 nan 0.000 0.421 149 F N 4.279 123.983 119.950 -0.411 0.000 2.422 149 F HA 0.636 5.300 4.527 0.229 0.000 0.333 149 F C 0.239 175.668 175.800 -0.618 0.000 1.095 149 F CA -0.339 57.291 58.000 -0.617 0.000 1.038 149 F CB 1.486 39.978 39.000 -0.846 0.000 1.156 149 F HN 0.412 nan 8.300 nan 0.000 0.483 150 R N 3.839 124.058 120.500 -0.468 0.000 2.502 150 R HA 0.448 4.924 4.340 0.227 0.000 0.298 150 R C -2.051 174.063 176.300 -0.309 0.000 1.018 150 R CA -0.445 55.468 56.100 -0.312 0.000 0.899 150 R CB 0.732 30.961 30.300 -0.119 0.000 1.181 150 R HN 0.580 nan 8.270 nan 0.000 0.444 151 F N 2.516 122.502 119.950 0.061 0.000 2.404 151 F HA 0.311 4.974 4.527 0.228 0.000 0.354 151 F C 0.350 176.125 175.800 -0.042 0.000 1.122 151 F CA -0.819 57.137 58.000 -0.073 0.000 1.080 151 F CB 2.315 41.241 39.000 -0.124 0.000 1.131 151 F HN 0.285 nan 8.300 nan 0.000 0.471 152 T N 4.705 119.318 114.554 0.097 0.000 2.811 152 T HA 0.341 4.827 4.350 0.227 0.000 0.309 152 T C -0.336 174.412 174.700 0.080 0.000 1.005 152 T CA -0.291 61.881 62.100 0.119 0.000 0.955 152 T CB -0.170 68.766 68.868 0.113 0.000 0.970 152 T HN 0.169 nan 8.240 nan 0.000 0.496 153 F N 4.935 124.978 119.950 0.156 0.000 2.380 153 F HA 0.477 5.140 4.527 0.228 0.000 0.321 153 F C -1.530 174.335 175.800 0.110 0.000 1.103 153 F CA -2.004 56.076 58.000 0.132 0.000 1.067 153 F CB 1.008 40.077 39.000 0.114 0.000 1.265 153 F HN 0.319 nan 8.300 nan 0.000 0.517 154 P HA 0.109 nan 4.420 nan 0.000 0.287 154 P C -1.365 176.034 177.300 0.165 0.000 1.296 154 P CA -0.630 62.599 63.100 0.216 0.000 0.811 154 P CB 0.676 32.498 31.700 0.202 0.000 1.211 155 E N 1.037 121.304 120.200 0.112 0.000 2.351 155 E HA 0.090 4.577 4.350 0.227 0.000 0.266 155 E C -0.585 176.051 176.600 0.061 0.000 1.031 155 E CA 0.074 56.515 56.400 0.068 0.000 0.911 155 E CB -0.221 29.510 29.700 0.052 0.000 0.986 155 E HN 0.275 nan 8.360 nan 0.000 0.446 156 N N 3.742 122.456 118.700 0.023 0.000 2.647 156 N HA 0.012 4.888 4.740 0.227 0.000 0.259 156 N C -0.942 174.511 175.510 -0.096 0.000 1.098 156 N CA -0.467 52.585 53.050 0.003 0.000 0.984 156 N CB 1.583 40.104 38.487 0.057 0.000 1.683 156 N HN 0.409 nan 8.380 nan 0.000 0.501 157 D N -0.124 120.178 120.400 -0.163 0.000 2.224 157 D HA -0.011 4.765 4.640 0.227 0.000 0.205 157 D C -0.144 175.774 176.300 -0.637 0.000 0.965 157 D CA 1.415 55.173 54.000 -0.404 0.000 0.852 157 D CB 0.129 40.615 40.800 -0.524 0.000 0.947 157 D HN 0.395 nan 8.370 nan 0.000 0.494 158 H N 0.047 119.041 119.070 -0.125 0.000 2.418 158 H HA 0.408 5.101 4.556 0.227 0.000 0.238 158 H C -0.459 174.663 175.328 -0.344 0.000 1.403 158 H CA -0.246 55.648 56.048 -0.256 0.000 1.419 158 H CB 0.306 30.092 29.762 0.041 0.000 1.463 158 H HN -0.185 nan 8.280 nan 0.000 0.515 159 S N 2.467 117.851 115.700 -0.526 0.000 2.442 159 S HA 0.496 5.103 4.470 0.227 0.000 0.297 159 S C -0.627 173.438 174.600 -0.892 0.000 1.131 159 S CA -0.514 57.388 58.200 -0.497 0.000 1.092 159 S CB 0.720 63.546 63.200 -0.622 0.000 0.998 159 S HN 0.332 nan 8.310 nan 0.000 0.478 160 Y N 0.319 120.471 120.300 -0.247 0.000 2.602 160 Y HA 0.677 5.363 4.550 0.227 0.000 0.342 160 Y C -0.291 175.522 175.900 -0.145 0.000 1.029 160 Y CA -1.229 56.678 58.100 -0.322 0.000 1.080 160 Y CB 1.151 39.447 38.460 -0.273 0.000 1.284 160 Y HN 0.282 nan 8.280 nan 0.000 0.485 161 V N 2.421 122.312 119.914 -0.038 0.000 2.443 161 V HA 0.421 4.677 4.120 0.227 0.000 0.293 161 V C -0.729 175.385 176.094 0.033 0.000 1.021 161 V CA -0.902 61.396 62.300 -0.003 0.000 0.848 161 V CB 1.458 33.345 31.823 0.106 0.000 0.998 161 V HN 0.557 nan 8.190 nan 0.000 0.424 162 V N 5.597 125.539 119.914 0.047 0.000 2.509 162 V HA 0.508 4.764 4.120 0.227 0.000 0.284 162 V C -0.088 176.113 176.094 0.180 0.000 1.047 162 V CA -0.420 61.946 62.300 0.110 0.000 0.952 162 V CB 1.813 33.673 31.823 0.060 0.000 0.988 162 V HN 0.602 nan 8.190 nan 0.000 0.469 163 V N 3.501 123.576 119.914 0.267 0.000 2.483 163 V HA 0.429 4.685 4.120 0.227 0.000 0.297 163 V C -0.785 175.576 176.094 0.444 0.000 1.027 163 V CA -0.526 61.968 62.300 0.324 0.000 0.855 163 V CB 1.898 33.914 31.823 0.322 0.000 0.995 163 V HN 0.924 nan 8.190 nan 0.000 0.424 164 D N 3.892 124.568 120.400 0.460 0.000 2.453 164 D HA 0.546 5.323 4.640 0.227 0.000 0.238 164 D C 0.642 177.352 176.300 0.684 0.000 1.088 164 D CA -0.262 54.106 54.000 0.613 0.000 0.854 164 D CB 2.129 43.158 40.800 0.381 0.000 1.076 164 D HN 0.552 nan 8.370 nan 0.000 0.533 165 A N 3.716 126.924 122.820 0.648 0.000 2.208 165 A HA 0.271 4.728 4.320 0.227 0.000 0.209 165 A C 0.371 178.348 177.584 0.655 0.000 1.161 165 A CA 0.111 52.495 52.037 0.578 0.000 0.782 165 A CB -0.571 18.709 19.000 0.466 0.000 0.816 165 A HN 0.586 nan 8.150 nan 0.000 0.477 166 F N -1.082 119.044 119.950 0.293 0.000 2.183 166 F HA -0.163 4.501 4.527 0.229 0.000 0.318 166 F C 0.386 176.028 175.800 -0.264 0.000 1.154 166 F CA 0.290 58.245 58.000 -0.075 0.000 0.912 166 F CB -0.856 38.171 39.000 0.044 0.000 4.135 166 F HN 0.532 nan 8.300 nan 0.000 0.137 167 D N 0.778 121.020 120.400 -0.263 0.000 2.511 167 D HA 0.394 5.170 4.640 0.227 0.000 0.283 167 D C -0.018 176.327 176.300 0.076 0.000 1.198 167 D CA 0.167 54.080 54.000 -0.144 0.000 1.097 167 D CB 0.322 40.993 40.800 -0.214 0.000 1.160 167 D HN 0.512 nan 8.370 nan 0.000 0.589 168 K N -1.110 119.340 120.400 0.082 0.000 3.088 168 K HA -0.058 4.398 4.320 0.227 0.000 0.273 168 K C 0.449 177.142 176.600 0.156 0.000 1.111 168 K CA 1.040 57.396 56.287 0.115 0.000 0.803 168 K CB -2.426 30.146 32.500 0.119 0.000 1.226 168 K HN 1.332 nan 8.250 nan 0.000 0.485 169 G N 0.027 108.929 108.800 0.170 0.000 3.238 169 G HA2 0.020 4.116 3.960 0.227 0.000 0.684 169 G HA3 0.020 4.116 3.960 0.227 0.000 0.684 169 G C -0.243 174.822 174.900 0.275 0.000 1.156 169 G CA -0.057 45.169 45.100 0.210 0.000 1.048 169 G HN 0.885 nan 8.290 nan 0.000 0.462 170 S N 1.019 116.851 115.700 0.220 0.000 2.685 170 S HA 0.910 5.516 4.470 0.227 0.000 0.282 170 S C -0.944 173.619 174.600 -0.062 0.000 1.159 170 S CA -0.891 57.398 58.200 0.148 0.000 0.833 170 S CB 2.847 66.184 63.200 0.230 0.000 1.151 170 S HN 2.057 nan 8.310 nan 0.000 0.485 171 Y N -0.169 119.819 120.300 -0.520 0.000 2.513 171 Y HA 0.798 5.484 4.550 0.227 0.000 0.340 171 Y C -1.946 173.745 175.900 -0.348 0.000 1.055 171 Y CA -0.993 56.769 58.100 -0.564 0.000 1.020 171 Y CB 1.366 39.151 38.460 -1.125 0.000 1.301 171 Y HN 1.002 nan 8.280 nan 0.000 0.453 172 I N 5.369 125.317 120.570 -1.037 0.000 2.752 172 I HA 0.532 4.838 4.170 0.227 0.000 0.295 172 I C -1.956 173.643 176.117 -0.864 0.000 1.219 172 I CA -0.458 60.366 61.300 -0.793 0.000 1.030 172 I CB 1.921 39.749 38.000 -0.286 0.000 1.259 172 I HN 0.703 nan 8.210 nan 0.000 0.423 173 K N 7.506 127.536 120.400 -0.616 0.000 2.482 173 K HA 0.639 5.095 4.320 0.227 0.000 0.251 173 K C -1.864 174.625 176.600 -0.185 0.000 0.936 173 K CA -0.533 55.538 56.287 -0.360 0.000 0.791 173 K CB 1.473 33.806 32.500 -0.278 0.000 1.213 173 K HN 0.590 nan 8.250 nan 0.000 0.428 174 I N 5.257 125.754 120.570 -0.122 0.000 2.353 174 I HA 0.315 4.621 4.170 0.227 0.000 0.293 174 I C -0.123 176.007 176.117 0.020 0.000 0.992 174 I CA -0.716 60.562 61.300 -0.036 0.000 1.268 174 I CB 1.263 39.213 38.000 -0.082 0.000 1.387 174 I HN 0.518 nan 8.210 nan 0.000 0.478 175 I N 8.380 129.013 120.570 0.105 0.000 2.555 175 I HA 0.212 4.518 4.170 0.227 0.000 0.275 175 I C -1.766 174.441 176.117 0.150 0.000 1.082 175 I CA -1.523 59.832 61.300 0.091 0.000 1.167 175 I CB 1.156 39.187 38.000 0.051 0.000 1.312 175 I HN 0.362 nan 8.210 nan 0.000 0.493 176 P HA -0.214 nan 4.420 nan 0.000 0.215 176 P C 1.194 178.500 177.300 0.009 0.000 1.153 176 P CA 1.249 64.432 63.100 0.137 0.000 0.853 176 P CB 0.077 31.841 31.700 0.105 0.000 0.788 177 E N 0.384 120.591 120.200 0.011 0.000 2.526 177 E HA -0.145 4.341 4.350 0.227 0.000 0.198 177 E C 0.488 177.077 176.600 -0.017 0.000 1.091 177 E CA 0.931 57.324 56.400 -0.012 0.000 0.880 177 E CB -0.627 29.071 29.700 -0.004 0.000 0.873 177 E HN 0.437 nan 8.360 nan 0.000 0.527 178 E N 0.459 120.653 120.200 -0.010 0.000 2.702 178 E HA 0.113 4.599 4.350 0.227 0.000 0.225 178 E C -0.532 176.062 176.600 -0.010 0.000 0.942 178 E CA -0.434 55.966 56.400 -0.000 0.000 1.210 178 E CB 0.267 29.985 29.700 0.030 0.000 1.143 178 E HN 0.033 nan 8.360 nan 0.000 0.544 179 N N 2.107 120.734 118.700 -0.122 0.000 2.714 179 N HA -0.194 4.683 4.740 0.227 0.000 0.253 179 N C -0.666 174.992 175.510 0.246 0.000 1.024 179 N CA 1.199 54.029 53.050 -0.367 0.000 0.726 179 N CB -0.983 37.318 38.487 -0.311 0.000 0.908 179 N HN 0.319 nan 8.380 nan 0.000 0.542 180 K N 0.547 121.195 120.400 0.413 0.000 2.427 180 K HA 0.639 5.095 4.320 0.227 0.000 0.252 180 K C -0.915 175.920 176.600 0.391 0.000 0.931 180 K CA -0.642 55.878 56.287 0.389 0.000 0.793 180 K CB 1.459 34.070 32.500 0.185 0.000 1.211 180 K HN 0.122 nan 8.250 nan 0.000 0.426 181 I N 6.464 127.251 120.570 0.362 0.000 2.436 181 I HA 0.418 4.724 4.170 0.227 0.000 0.289 181 I C -0.157 176.040 176.117 0.133 0.000 1.010 181 I CA -1.076 60.360 61.300 0.227 0.000 1.098 181 I CB 1.618 39.799 38.000 0.302 0.000 1.266 181 I HN 0.640 nan 8.210 nan 0.000 0.434 182 I N 2.193 122.738 120.570 -0.041 0.000 3.067 182 I HA 1.080 5.387 4.170 0.227 0.000 0.312 182 I C -0.107 175.772 176.117 -0.398 0.000 1.073 182 I CA -0.518 60.673 61.300 -0.181 0.000 1.016 182 I CB 2.444 40.270 38.000 -0.289 0.000 1.227 182 I HN 0.633 nan 8.210 nan 0.000 0.456 183 G N 1.552 109.947 108.800 -0.674 0.000 2.349 183 G HA2 0.498 4.594 3.960 0.227 0.000 0.294 183 G HA3 0.498 4.594 3.960 0.227 0.000 0.294 183 G C -2.210 172.256 174.900 -0.724 0.000 1.380 183 G CA -0.556 44.110 45.100 -0.722 0.000 0.811 183 G HN 1.089 nan 8.290 nan 0.000 0.519 184 Y N -1.405 118.785 120.300 -0.185 0.000 2.524 184 Y HA 0.860 5.546 4.550 0.227 0.000 0.347 184 Y C -0.146 175.839 175.900 0.142 0.000 1.005 184 Y CA -1.191 56.802 58.100 -0.179 0.000 1.025 184 Y CB 1.687 39.895 38.460 -0.420 0.000 1.275 184 Y HN 0.761 nan 8.280 nan 0.000 0.460 185 T N 0.240 115.046 114.554 0.420 0.000 2.945 185 T HA 0.550 5.036 4.350 0.227 0.000 0.286 185 T C 0.474 175.346 174.700 0.287 0.000 1.025 185 T CA 0.207 62.534 62.100 0.378 0.000 1.039 185 T CB 1.154 70.216 68.868 0.324 0.000 1.068 185 T HN 1.190 nan 8.240 nan 0.000 0.497 186 T N 0.263 115.023 114.554 0.344 0.000 3.080 186 T HA 0.297 4.783 4.350 0.227 0.000 0.280 186 T C 0.625 175.601 174.700 0.460 0.000 0.926 186 T CA -0.454 61.888 62.100 0.404 0.000 0.883 186 T CB -0.155 68.897 68.868 0.306 0.000 1.194 186 T HN 0.622 nan 8.240 nan 0.000 0.541 187 R N 3.233 123.946 120.500 0.355 0.000 2.480 187 R HA 0.161 4.638 4.340 0.227 0.000 0.303 187 R C -0.251 176.207 176.300 0.263 0.000 0.985 187 R CA 0.622 56.889 56.100 0.279 0.000 1.051 187 R CB 0.092 30.570 30.300 0.296 0.000 0.935 187 R HN 0.728 nan 8.270 nan 0.000 0.410 188 N N 1.199 119.995 118.700 0.159 0.000 2.902 188 N HA 0.133 5.009 4.740 0.227 0.000 0.268 188 N C -1.049 174.480 175.510 0.031 0.000 1.450 188 N CA -0.860 52.231 53.050 0.069 0.000 0.819 188 N CB 1.733 40.117 38.487 -0.170 0.000 1.540 188 N HN 0.294 nan 8.380 nan 0.000 0.545 189 S N -1.241 114.456 115.700 -0.004 0.000 2.663 189 S HA 0.521 5.128 4.470 0.227 0.000 0.243 189 S C 0.526 175.091 174.600 -0.058 0.000 1.009 189 S CA 0.118 58.313 58.200 -0.008 0.000 0.988 189 S CB -0.203 63.007 63.200 0.017 0.000 0.896 189 S HN 1.136 nan 8.310 nan 0.000 0.502 190 G N 0.366 109.102 108.800 -0.107 0.000 2.462 190 G HA2 0.379 4.475 3.960 0.227 0.000 0.685 190 G HA3 0.379 4.475 3.960 0.227 0.000 0.685 190 G C 0.295 175.069 174.900 -0.209 0.000 1.295 190 G CA -0.387 44.638 45.100 -0.125 0.000 0.941 190 G HN 1.143 nan 8.290 nan 0.000 0.554 191 G N -2.213 106.477 108.800 -0.184 0.000 2.273 191 G HA2 0.302 4.398 3.960 0.227 0.000 0.280 191 G HA3 0.302 4.398 3.960 0.227 0.000 0.280 191 G C 0.790 175.477 174.900 -0.355 0.000 1.047 191 G CA 1.475 46.431 45.100 -0.240 0.000 0.869 191 G HN 2.456 nan 8.290 nan 0.000 0.502 192 V N -3.510 116.231 119.914 -0.289 0.000 2.876 192 V HA 0.929 5.185 4.120 0.227 0.000 0.312 192 V C -2.065 173.984 176.094 -0.076 0.000 1.085 192 V CA -2.699 59.436 62.300 -0.276 0.000 0.945 192 V CB 2.014 33.548 31.823 -0.481 0.000 1.017 192 V HN 0.087 nan 8.190 nan 0.000 0.428 193 P HA 0.306 nan 4.420 nan 0.000 0.269 193 P C 0.667 178.061 177.300 0.157 0.000 1.215 193 P CA -0.124 63.037 63.100 0.100 0.000 0.780 193 P CB 0.542 32.323 31.700 0.135 0.000 0.898 194 E N 1.056 121.327 120.200 0.118 0.000 2.171 194 E HA -0.230 4.256 4.350 0.227 0.000 0.197 194 E C 0.902 177.581 176.600 0.132 0.000 0.997 194 E CA 1.311 57.778 56.400 0.111 0.000 0.810 194 E CB -0.307 29.441 29.700 0.080 0.000 0.738 194 E HN 0.508 nan 8.360 nan 0.000 0.467 195 N N 0.487 119.284 118.700 0.162 0.000 2.313 195 N HA -0.073 4.803 4.740 0.227 0.000 0.207 195 N C -0.244 175.325 175.510 0.098 0.000 1.141 195 N CA -0.271 52.849 53.050 0.117 0.000 0.830 195 N CB -0.525 38.038 38.487 0.127 0.000 1.008 195 N HN 0.002 nan 8.380 nan 0.000 0.481 196 F N 2.365 122.340 119.950 0.043 0.000 2.602 196 F HA 0.173 4.836 4.527 0.225 0.000 0.385 196 F C -0.005 175.680 175.800 -0.191 0.000 1.063 196 F CA 0.244 58.232 58.000 -0.019 0.000 1.233 196 F CB 0.392 39.425 39.000 0.055 0.000 1.067 196 F HN -0.043 nan 8.300 nan 0.000 0.564 197 K N 5.441 125.072 120.400 -1.281 0.000 2.543 197 K HA 0.171 4.627 4.320 0.227 0.000 0.255 197 K C -1.454 174.383 176.600 -1.272 0.000 0.934 197 K CA -1.019 54.483 56.287 -1.310 0.000 0.810 197 K CB 1.937 33.555 32.500 -1.470 0.000 1.315 197 K HN 0.645 nan 8.250 nan 0.000 0.433 198 N N 2.887 121.033 118.700 -0.924 0.000 2.446 198 N HA 0.251 5.127 4.740 0.227 0.000 0.265 198 N C -1.388 173.814 175.510 -0.514 0.000 0.975 198 N CA -0.339 52.317 53.050 -0.657 0.000 0.928 198 N CB 0.722 38.994 38.487 -0.358 0.000 1.160 198 N HN 0.399 nan 8.380 nan 0.000 0.495 199 Y N 3.642 123.698 120.300 -0.408 0.000 2.320 199 Y HA 0.388 5.073 4.550 0.226 0.000 0.334 199 Y C 0.029 175.808 175.900 -0.202 0.000 1.055 199 Y CA -0.767 57.029 58.100 -0.507 0.000 1.143 199 Y CB 0.672 38.561 38.460 -0.952 0.000 1.193 199 Y HN 0.314 nan 8.280 nan 0.000 0.477 200 F N 0.827 120.772 119.950 -0.009 0.000 2.588 200 F HA 0.896 5.559 4.527 0.227 0.000 0.314 200 F C -1.511 174.363 175.800 0.123 0.000 1.069 200 F CA -1.819 56.147 58.000 -0.056 0.000 0.931 200 F CB 1.299 39.927 39.000 -0.620 0.000 1.260 200 F HN 0.226 nan 8.300 nan 0.000 0.465 201 I N 3.062 123.836 120.570 0.340 0.000 2.582 201 I HA 0.504 4.810 4.170 0.227 0.000 0.292 201 I C -1.137 175.147 176.117 0.279 0.000 1.066 201 I CA -0.751 60.706 61.300 0.261 0.000 1.053 201 I CB 2.389 40.511 38.000 0.203 0.000 1.241 201 I HN 0.569 nan 8.210 nan 0.000 0.421 202 I N 5.426 126.143 120.570 0.245 0.000 2.447 202 I HA 0.352 4.659 4.170 0.227 0.000 0.287 202 I C -0.705 175.475 176.117 0.105 0.000 1.023 202 I CA -0.417 60.979 61.300 0.161 0.000 1.083 202 I CB 1.781 39.907 38.000 0.209 0.000 1.245 202 I HN 0.480 nan 8.210 nan 0.000 0.434 203 E N 5.972 126.158 120.200 -0.022 0.000 2.165 203 E HA 0.484 4.971 4.350 0.227 0.000 0.266 203 E C -1.407 175.151 176.600 -0.070 0.000 0.889 203 E CA -0.605 55.820 56.400 0.042 0.000 0.756 203 E CB 2.036 31.771 29.700 0.058 0.000 1.131 203 E HN 0.280 nan 8.360 nan 0.000 0.411 204 F N 1.790 121.858 119.950 0.196 0.000 2.425 204 F HA 0.138 4.802 4.527 0.229 0.000 0.331 204 F C 1.281 177.130 175.800 0.082 0.000 1.085 204 F CA -0.834 57.289 58.000 0.204 0.000 1.028 204 F CB 1.020 40.225 39.000 0.342 0.000 1.177 204 F HN 0.410 nan 8.300 nan 0.000 0.487 205 D N 0.861 121.417 120.400 0.260 0.000 2.395 205 D HA 0.054 4.831 4.640 0.227 0.000 0.226 205 D C -0.239 176.106 176.300 0.075 0.000 1.146 205 D CA -0.030 54.044 54.000 0.122 0.000 0.830 205 D CB 0.051 40.900 40.800 0.081 0.000 0.958 205 D HN 0.477 nan 8.370 nan 0.000 0.501 206 K N 0.786 121.240 120.400 0.091 0.000 2.588 206 K HA 0.362 4.819 4.320 0.227 0.000 0.250 206 K C -3.159 173.419 176.600 -0.035 0.000 0.972 206 K CA -1.637 54.635 56.287 -0.024 0.000 0.821 206 K CB 2.148 34.550 32.500 -0.163 0.000 1.249 206 K HN -0.247 nan 8.250 nan 0.000 0.442 207 P HA 0.105 nan 4.420 nan 0.000 0.268 207 P C -0.809 176.478 177.300 -0.023 0.000 1.205 207 P CA -0.117 62.868 63.100 -0.191 0.000 0.771 207 P CB 0.165 31.802 31.700 -0.106 0.000 0.858 208 F N 0.321 120.315 119.950 0.074 0.000 2.429 208 F HA 0.212 4.875 4.527 0.227 0.000 0.348 208 F C 1.897 177.697 175.800 0.000 0.000 1.109 208 F CA 0.068 58.069 58.000 0.001 0.000 1.232 208 F CB -0.403 38.527 39.000 -0.117 0.000 1.157 208 F HN 0.224 nan 8.300 nan 0.000 0.564 209 T N 0.546 115.213 114.554 0.188 0.000 3.018 209 T HA 0.037 4.524 4.350 0.227 0.000 0.246 209 T C -0.616 174.148 174.700 0.105 0.000 1.026 209 T CA 0.389 62.556 62.100 0.112 0.000 1.081 209 T CB -0.154 68.766 68.868 0.086 0.000 0.970 209 T HN 0.475 nan 8.240 nan 0.000 0.475 210 Y N 2.760 123.025 120.300 -0.059 0.000 2.528 210 Y HA 0.605 5.291 4.550 0.227 0.000 0.335 210 Y C -1.034 174.802 175.900 -0.105 0.000 1.093 210 Y CA -1.239 56.829 58.100 -0.054 0.000 1.134 210 Y CB 1.011 39.456 38.460 -0.024 0.000 1.253 210 Y HN -0.037 nan 8.280 nan 0.000 0.478 211 K N 3.328 123.200 120.400 -0.881 0.000 2.580 211 K HA 0.824 5.281 4.320 0.227 0.000 0.258 211 K C -2.371 173.815 176.600 -0.689 0.000 0.936 211 K CA -0.894 55.022 56.287 -0.618 0.000 0.852 211 K CB 1.242 33.533 32.500 -0.347 0.000 1.329 211 K HN 0.851 nan 8.250 nan 0.000 0.430 212 A N 1.446 124.008 122.820 -0.430 0.000 2.520 212 A HA 0.712 5.168 4.320 0.227 0.000 0.298 212 A C -0.494 176.967 177.584 -0.205 0.000 1.051 212 A CA -0.602 51.262 52.037 -0.288 0.000 0.690 212 A CB 1.636 20.518 19.000 -0.197 0.000 1.281 212 A HN 0.839 nan 8.150 nan 0.000 0.402 213 T N -1.079 113.357 114.554 -0.196 0.000 2.862 213 T HA 0.730 5.216 4.350 0.227 0.000 0.276 213 T C -0.123 174.433 174.700 -0.241 0.000 0.974 213 T CA -0.595 61.383 62.100 -0.205 0.000 0.966 213 T CB 1.179 69.931 68.868 -0.194 0.000 1.072 213 T HN 0.983 nan 8.240 nan 0.000 0.538 214 V N 1.019 120.734 119.914 -0.333 0.000 2.735 214 V HA 0.632 4.888 4.120 0.227 0.000 0.310 214 V C -0.480 175.373 176.094 -0.401 0.000 1.061 214 V CA -0.805 61.215 62.300 -0.468 0.000 0.913 214 V CB 1.712 32.949 31.823 -0.977 0.000 1.005 214 V HN 1.051 nan 8.190 nan 0.000 0.428 215 E N 3.723 123.739 120.200 -0.306 0.000 2.373 215 E HA 0.286 4.772 4.350 0.227 0.000 0.251 215 E C -0.440 176.069 176.600 -0.151 0.000 0.923 215 E CA -0.545 55.741 56.400 -0.189 0.000 0.798 215 E CB 0.805 30.432 29.700 -0.122 0.000 1.303 215 E HN 0.844 nan 8.360 nan 0.000 0.412 216 N N 3.377 122.001 118.700 -0.126 0.000 2.686 216 N HA -0.276 4.600 4.740 0.227 0.000 0.261 216 N C 0.753 176.213 175.510 -0.083 0.000 1.001 216 N CA 0.667 53.683 53.050 -0.056 0.000 0.764 216 N CB -1.004 37.489 38.487 0.008 0.000 0.898 216 N HN 0.896 nan 8.380 nan 0.000 0.544 217 G N -1.049 107.642 108.800 -0.181 0.000 2.189 217 G HA2 -0.362 3.735 3.960 0.227 0.000 0.267 217 G HA3 -0.362 3.735 3.960 0.227 0.000 0.267 217 G C -0.170 174.670 174.900 -0.099 0.000 0.975 217 G CA 0.230 45.287 45.100 -0.071 0.000 0.644 217 G HN 0.546 nan 8.290 nan 0.000 0.537 218 N N 0.480 119.092 118.700 -0.146 0.000 2.426 218 N HA 0.447 5.323 4.740 0.227 0.000 0.257 218 N C -0.038 175.384 175.510 -0.148 0.000 1.002 218 N CA -0.521 52.461 53.050 -0.114 0.000 0.942 218 N CB 1.377 39.813 38.487 -0.084 0.000 1.112 218 N HN 0.111 nan 8.380 nan 0.000 0.499 219 L N 2.855 124.012 121.223 -0.111 0.000 2.513 219 L HA 0.023 4.500 4.340 0.227 0.000 0.272 219 L C 0.366 177.181 176.870 -0.093 0.000 1.187 219 L CA 0.724 55.503 54.840 -0.102 0.000 0.895 219 L CB 0.104 42.133 42.059 -0.050 0.000 1.147 219 L HN 0.351 nan 8.230 nan 0.000 0.483 220 Q N 4.378 124.109 119.800 -0.115 0.000 2.907 220 Q HA 0.179 4.655 4.340 0.227 0.000 0.262 220 Q C -0.320 175.604 176.000 -0.126 0.000 0.997 220 Q CA -0.290 55.450 55.803 -0.106 0.000 0.797 220 Q CB 0.760 29.433 28.738 -0.109 0.000 1.228 220 Q HN 0.596 nan 8.270 nan 0.000 0.466 221 E N 2.445 122.573 120.200 -0.121 0.000 2.529 221 E HA -0.113 4.373 4.350 0.227 0.000 0.259 221 E C 0.120 176.610 176.600 -0.184 0.000 0.966 221 E CA 0.421 56.703 56.400 -0.198 0.000 0.937 221 E CB 0.284 29.890 29.700 -0.158 0.000 0.923 221 E HN 0.395 nan 8.360 nan 0.000 0.468 222 N N 1.280 119.841 118.700 -0.232 0.000 2.936 222 N HA -0.186 4.690 4.740 0.227 0.000 0.236 222 N C -0.716 174.721 175.510 -0.122 0.000 0.930 222 N CA 0.935 53.884 53.050 -0.168 0.000 0.966 222 N CB -1.104 37.305 38.487 -0.131 0.000 1.090 222 N HN 0.233 nan 8.380 nan 0.000 0.592 223 V N 1.356 121.197 119.914 -0.121 0.000 2.555 223 V HA 0.356 4.612 4.120 0.227 0.000 0.286 223 V C 1.760 177.788 176.094 -0.110 0.000 1.044 223 V CA 0.691 62.931 62.300 -0.099 0.000 1.026 223 V CB 1.451 33.217 31.823 -0.095 0.000 0.981 223 V HN 0.371 nan 8.190 nan 0.000 0.480 224 A N 4.118 126.885 122.820 -0.088 0.000 1.970 224 A HA 0.079 4.535 4.320 0.227 0.000 0.216 224 A C 0.858 178.371 177.584 -0.118 0.000 1.170 224 A CA 1.149 53.133 52.037 -0.090 0.000 0.645 224 A CB -0.035 18.930 19.000 -0.059 0.000 0.816 224 A HN 0.946 nan 8.150 nan 0.000 0.447 225 E N -1.750 118.381 120.200 -0.114 0.000 2.454 225 E HA 0.557 5.043 4.350 0.227 0.000 0.279 225 E C -1.812 174.707 176.600 -0.135 0.000 1.029 225 E CA -0.996 55.307 56.400 -0.160 0.000 0.831 225 E CB 0.867 30.498 29.700 -0.116 0.000 1.405 225 E HN 0.039 nan 8.360 nan 0.000 0.463 226 Q N 0.460 120.154 119.800 -0.178 0.000 2.352 226 Q HA 0.348 4.824 4.340 0.227 0.000 0.270 226 Q C -1.523 174.474 176.000 -0.006 0.000 1.006 226 Q CA -0.650 55.097 55.803 -0.093 0.000 0.880 226 Q CB 2.491 31.150 28.738 -0.131 0.000 1.392 226 Q HN 0.669 nan 8.270 nan 0.000 0.401 227 T N 1.647 116.256 114.554 0.092 0.000 2.892 227 T HA 0.671 5.157 4.350 0.227 0.000 0.311 227 T C -0.405 174.351 174.700 0.092 0.000 1.033 227 T CA -0.275 61.917 62.100 0.153 0.000 0.991 227 T CB 1.399 70.381 68.868 0.190 0.000 0.981 227 T HN 0.615 nan 8.240 nan 0.000 0.457 228 T N 1.142 115.749 114.554 0.089 0.000 2.658 228 T HA 0.221 4.708 4.350 0.227 0.000 0.306 228 T C 0.317 175.085 174.700 0.113 0.000 1.544 228 T CA -0.309 61.841 62.100 0.084 0.000 0.991 228 T CB 1.221 70.118 68.868 0.049 0.000 1.774 228 T HN 0.449 nan 8.240 nan 0.000 0.479 229 D N -0.164 120.304 120.400 0.113 0.000 2.104 229 D HA -0.082 4.694 4.640 0.227 0.000 0.194 229 D C 0.691 177.109 176.300 0.196 0.000 0.994 229 D CA 1.668 55.750 54.000 0.137 0.000 0.830 229 D CB 0.007 40.876 40.800 0.115 0.000 0.959 229 D HN 0.514 nan 8.370 nan 0.000 0.452 230 H N -0.851 118.260 119.070 0.069 0.000 2.854 230 H HA 0.571 5.263 4.556 0.228 0.000 0.275 230 H C -1.293 174.049 175.328 0.023 0.000 1.198 230 H CA -0.943 55.158 56.048 0.089 0.000 1.489 230 H CB 0.689 30.511 29.762 0.100 0.000 1.519 230 H HN 0.148 nan 8.280 nan 0.000 0.503 231 A N 3.278 126.238 122.820 0.233 0.000 2.316 231 A HA 0.705 5.161 4.320 0.227 0.000 0.284 231 A C 0.298 177.893 177.584 0.018 0.000 1.115 231 A CA 0.232 52.281 52.037 0.020 0.000 0.812 231 A CB 0.947 19.932 19.000 -0.024 0.000 1.064 231 A HN 0.749 nan 8.150 nan 0.000 0.489 232 G N -1.198 107.458 108.800 -0.241 0.000 2.682 232 G HA2 0.791 4.887 3.960 0.227 0.000 0.290 232 G HA3 0.791 4.887 3.960 0.227 0.000 0.290 232 G C -1.103 173.684 174.900 -0.189 0.000 1.425 232 G CA 0.041 45.013 45.100 -0.213 0.000 0.807 232 G HN 1.813 nan 8.290 nan 0.000 0.482 233 A N -0.023 122.785 122.820 -0.021 0.000 2.459 233 A HA 0.752 5.209 4.320 0.227 0.000 0.296 233 A C -1.136 176.452 177.584 0.008 0.000 1.039 233 A CA -0.442 51.563 52.037 -0.054 0.000 0.698 233 A CB 1.034 20.008 19.000 -0.042 0.000 1.261 233 A HN 0.675 nan 8.150 nan 0.000 0.405 234 I N 3.080 123.631 120.570 -0.031 0.000 2.433 234 I HA 0.565 4.871 4.170 0.227 0.000 0.292 234 I C -0.659 175.433 176.117 -0.042 0.000 1.001 234 I CA -0.814 60.499 61.300 0.022 0.000 1.119 234 I CB 1.841 39.896 38.000 0.092 0.000 1.289 234 I HN 0.710 nan 8.210 nan 0.000 0.438 235 I N 2.753 123.220 120.570 -0.172 0.000 3.002 235 I HA 1.052 5.358 4.170 0.227 0.000 0.310 235 I C -0.116 175.760 176.117 -0.402 0.000 1.087 235 I CA -0.387 60.675 61.300 -0.398 0.000 1.017 235 I CB 2.033 39.329 38.000 -1.173 0.000 1.226 235 I HN 0.558 nan 8.210 nan 0.000 0.443 236 G N 1.493 109.956 108.800 -0.560 0.000 2.645 236 G HA2 0.856 4.953 3.960 0.227 0.000 0.292 236 G HA3 0.856 4.953 3.960 0.227 0.000 0.292 236 G C -1.450 172.842 174.900 -1.012 0.000 1.415 236 G CA -0.687 43.765 45.100 -1.080 0.000 0.785 236 G HN 1.050 nan 8.290 nan 0.000 0.483 237 F N -2.574 117.149 119.950 -0.378 0.000 3.410 237 F HA 0.640 5.303 4.527 0.227 0.000 0.328 237 F C -0.822 174.770 175.800 -0.347 0.000 1.099 237 F CA -1.499 56.342 58.000 -0.264 0.000 0.841 237 F CB 1.499 40.388 39.000 -0.186 0.000 1.527 237 F HN 0.472 nan 8.300 nan 0.000 0.478 238 K N 1.336 121.768 120.400 0.054 0.000 2.156 238 K HA 0.606 5.063 4.320 0.227 0.000 0.271 238 K C -1.223 175.312 176.600 -0.110 0.000 0.995 238 K CA -0.305 55.932 56.287 -0.083 0.000 0.890 238 K CB 1.892 34.342 32.500 -0.084 0.000 1.073 238 K HN 0.793 nan 8.250 nan 0.000 0.454 239 T N 1.206 115.691 114.554 -0.116 0.000 2.848 239 T HA 0.426 4.912 4.350 0.227 0.000 0.285 239 T C -0.151 174.530 174.700 -0.033 0.000 0.995 239 T CA -1.132 60.906 62.100 -0.104 0.000 0.970 239 T CB 1.248 70.053 68.868 -0.106 0.000 0.976 239 T HN 0.655 nan 8.240 nan 0.000 0.441 240 R N 1.914 122.401 120.500 -0.021 0.000 2.528 240 R HA 0.441 4.917 4.340 0.227 0.000 0.271 240 R C -0.076 176.251 176.300 0.044 0.000 1.056 240 R CA -1.076 55.029 56.100 0.007 0.000 1.117 240 R CB 0.939 31.237 30.300 -0.003 0.000 1.085 240 R HN 0.729 nan 8.270 nan 0.000 0.530 241 K N 0.715 121.146 120.400 0.052 0.000 2.473 241 K HA -0.061 4.395 4.320 0.227 0.000 0.277 241 K C 0.541 177.186 176.600 0.076 0.000 1.052 241 K CA 1.516 57.847 56.287 0.073 0.000 1.114 241 K CB -0.279 32.257 32.500 0.060 0.000 0.869 241 K HN 0.912 nan 8.250 nan 0.000 0.481 242 G N 2.876 111.739 108.800 0.106 0.000 2.179 242 G HA2 -0.317 3.779 3.960 0.227 0.000 0.260 242 G HA3 -0.317 3.779 3.960 0.227 0.000 0.260 242 G C -0.068 174.893 174.900 0.101 0.000 0.977 242 G CA 0.363 45.523 45.100 0.099 0.000 0.641 242 G HN 0.747 nan 8.290 nan 0.000 0.533 243 E N 0.905 121.169 120.200 0.107 0.000 2.366 243 E HA 0.317 4.804 4.350 0.227 0.000 0.266 243 E C 0.434 177.124 176.600 0.150 0.000 1.015 243 E CA 0.010 56.461 56.400 0.085 0.000 0.906 243 E CB 0.171 29.888 29.700 0.028 0.000 0.979 243 E HN 0.541 nan 8.360 nan 0.000 0.443 244 Q N 2.717 122.584 119.800 0.113 0.000 2.278 244 Q HA 0.339 4.815 4.340 0.227 0.000 0.257 244 Q C -0.973 175.118 176.000 0.152 0.000 0.928 244 Q CA -0.707 55.185 55.803 0.149 0.000 0.932 244 Q CB 2.062 30.856 28.738 0.093 0.000 1.221 244 Q HN 0.322 nan 8.270 nan 0.000 0.434 245 V N 3.396 123.481 119.914 0.285 0.000 2.398 245 V HA 0.305 4.561 4.120 0.227 0.000 0.286 245 V C -0.172 176.103 176.094 0.302 0.000 1.026 245 V CA -0.892 61.600 62.300 0.319 0.000 0.868 245 V CB 1.484 33.627 31.823 0.532 0.000 0.982 245 V HN 0.746 nan 8.190 nan 0.000 0.443 246 N N 2.964 121.785 118.700 0.202 0.000 2.405 246 N HA 0.727 5.604 4.740 0.227 0.000 0.299 246 N C -0.535 175.024 175.510 0.080 0.000 1.075 246 N CA -0.273 52.824 53.050 0.079 0.000 0.884 246 N CB 2.387 40.893 38.487 0.031 0.000 1.194 246 N HN 0.802 nan 8.380 nan 0.000 0.491 247 A N 2.509 125.295 122.820 -0.057 0.000 2.357 247 A HA 0.476 4.932 4.320 0.227 0.000 0.295 247 A C -0.295 177.218 177.584 -0.117 0.000 1.121 247 A CA -0.754 51.161 52.037 -0.204 0.000 0.742 247 A CB 0.809 19.607 19.000 -0.337 0.000 1.181 247 A HN 0.590 nan 8.150 nan 0.000 0.454 248 R N 1.617 122.059 120.500 -0.096 0.000 2.308 248 R HA 0.707 5.183 4.340 0.227 0.000 0.305 248 R C -0.856 175.459 176.300 0.026 0.000 1.053 248 R CA 0.073 56.158 56.100 -0.024 0.000 0.957 248 R CB 1.044 31.344 30.300 0.001 0.000 1.022 248 R HN 0.652 nan 8.270 nan 0.000 0.461 249 I N 1.269 121.887 120.570 0.080 0.000 2.656 249 I HA 0.622 4.928 4.170 0.227 0.000 0.292 249 I C -0.812 175.460 176.117 0.258 0.000 1.144 249 I CA -0.842 60.582 61.300 0.207 0.000 1.038 249 I CB 2.312 40.470 38.000 0.264 0.000 1.244 249 I HN 0.727 nan 8.210 nan 0.000 0.420 250 A N 3.662 126.681 122.820 0.331 0.000 2.606 250 A HA 0.905 5.361 4.320 0.227 0.000 0.293 250 A C -0.928 176.863 177.584 0.346 0.000 1.082 250 A CA -0.442 51.783 52.037 0.314 0.000 0.685 250 A CB 2.154 21.274 19.000 0.200 0.000 1.284 250 A HN 0.752 nan 8.150 nan 0.000 0.408 251 S N -0.159 115.708 115.700 0.279 0.000 2.651 251 S HA 0.924 5.531 4.470 0.227 0.000 0.279 251 S C -0.590 174.016 174.600 0.009 0.000 1.148 251 S CA 0.021 58.332 58.200 0.184 0.000 0.837 251 S CB 1.622 64.974 63.200 0.254 0.000 1.138 251 S HN 2.253 nan 8.310 nan 0.000 0.478 252 S N -0.478 115.139 115.700 -0.139 0.000 2.547 252 S HA 0.630 5.237 4.470 0.227 0.000 0.270 252 S C -1.208 173.193 174.600 -0.332 0.000 1.150 252 S CA -0.717 57.373 58.200 -0.183 0.000 0.850 252 S CB 0.702 63.865 63.200 -0.062 0.000 1.118 252 S HN 0.636 nan 8.310 nan 0.000 0.461 253 F N 2.226 122.114 119.950 -0.104 0.000 2.727 253 F HA 0.429 5.092 4.527 0.226 0.000 0.302 253 F C 1.408 177.115 175.800 -0.156 0.000 1.097 253 F CA 0.003 57.862 58.000 -0.234 0.000 1.330 253 F CB 0.056 38.851 39.000 -0.342 0.000 1.084 253 F HN 0.434 nan 8.300 nan 0.000 0.578 254 I N -1.203 119.407 120.570 0.067 0.000 2.522 254 I HA 0.032 4.339 4.170 0.227 0.000 0.240 254 I C 0.652 176.582 176.117 -0.311 0.000 1.078 254 I CA 0.555 61.857 61.300 0.002 0.000 1.422 254 I CB 0.001 38.008 38.000 0.013 0.000 1.188 254 I HN 0.047 nan 8.210 nan 0.000 0.442 255 S N -1.732 113.624 115.700 -0.574 0.000 2.595 255 S HA 0.295 4.901 4.470 0.227 0.000 0.270 255 S C 0.100 174.237 174.600 -0.773 0.000 1.145 255 S CA -0.753 56.775 58.200 -1.120 0.000 0.825 255 S CB 0.589 63.470 63.200 -0.533 0.000 1.107 255 S HN 0.060 nan 8.310 nan 0.000 0.461 256 F N 1.562 121.133 119.950 -0.632 0.000 2.063 256 F HA -0.102 4.562 4.527 0.228 0.000 0.298 256 F C 2.760 178.478 175.800 -0.137 0.000 1.109 256 F CA 2.263 60.131 58.000 -0.219 0.000 1.212 256 F CB -0.709 38.217 39.000 -0.124 0.000 0.973 256 F HN 0.971 nan 8.300 nan 0.000 0.480 257 E N 0.014 120.238 120.200 0.039 0.000 2.097 257 E HA -0.332 4.155 4.350 0.227 0.000 0.196 257 E C 2.148 178.748 176.600 -0.000 0.000 1.000 257 E CA 1.717 58.126 56.400 0.016 0.000 0.804 257 E CB -0.233 29.460 29.700 -0.011 0.000 0.740 257 E HN 0.388 nan 8.360 nan 0.000 0.454 258 Q N -0.074 119.697 119.800 -0.049 0.000 2.187 258 Q HA 0.063 4.540 4.340 0.227 0.000 0.199 258 Q C 1.834 177.836 176.000 0.003 0.000 0.957 258 Q CA 1.475 57.263 55.803 -0.026 0.000 0.857 258 Q CB -0.318 28.392 28.738 -0.047 0.000 0.929 258 Q HN 0.368 nan 8.270 nan 0.000 0.453 259 A N 0.497 123.317 122.820 0.001 0.000 1.877 259 A HA -0.051 4.405 4.320 0.227 0.000 0.216 259 A C 2.315 179.955 177.584 0.092 0.000 1.186 259 A CA 1.762 53.835 52.037 0.061 0.000 0.620 259 A CB -1.254 17.805 19.000 0.099 0.000 0.822 259 A HN 0.514 nan 8.150 nan 0.000 0.443 260 A N -0.045 122.831 122.820 0.093 0.000 1.917 260 A HA 0.060 4.517 4.320 0.227 0.000 0.219 260 A C 2.511 180.133 177.584 0.064 0.000 1.182 260 A CA 2.411 54.498 52.037 0.082 0.000 0.633 260 A CB -1.074 17.968 19.000 0.070 0.000 0.819 260 A HN 1.107 nan 8.150 nan 0.000 0.448 261 A N 0.423 123.274 122.820 0.051 0.000 1.858 261 A HA -0.223 4.233 4.320 0.227 0.000 0.216 261 A C 1.890 179.509 177.584 0.057 0.000 1.190 261 A CA 1.849 53.914 52.037 0.048 0.000 0.617 261 A CB -0.725 18.299 19.000 0.039 0.000 0.827 261 A HN 0.568 nan 8.150 nan 0.000 0.443 262 N N -0.594 118.144 118.700 0.063 0.000 2.137 262 N HA -0.217 4.660 4.740 0.227 0.000 0.190 262 N C 1.527 177.086 175.510 0.082 0.000 1.017 262 N CA 1.832 54.926 53.050 0.073 0.000 0.859 262 N CB -0.581 37.954 38.487 0.079 0.000 1.002 262 N HN 0.547 nan 8.380 nan 0.000 0.428 263 M N 1.368 121.020 119.600 0.088 0.000 2.192 263 M HA -0.174 4.443 4.480 0.227 0.000 0.259 263 M C 1.011 177.350 176.300 0.065 0.000 1.071 263 M CA 1.566 56.916 55.300 0.085 0.000 1.082 263 M CB -0.497 32.154 32.600 0.084 0.000 1.373 263 M HN 0.177 nan 8.290 nan 0.000 0.408 264 N N -0.503 118.232 118.700 0.059 0.000 2.520 264 N HA -0.137 4.740 4.740 0.227 0.000 0.185 264 N C 1.183 176.722 175.510 0.048 0.000 1.068 264 N CA 0.788 53.867 53.050 0.048 0.000 0.911 264 N CB -0.119 38.395 38.487 0.045 0.000 0.961 264 N HN 0.562 nan 8.380 nan 0.000 0.446 265 E N 0.651 120.884 120.200 0.056 0.000 2.209 265 E HA -0.161 4.325 4.350 0.227 0.000 0.196 265 E C 1.514 178.141 176.600 0.045 0.000 0.993 265 E CA 0.721 57.154 56.400 0.056 0.000 0.819 265 E CB 0.040 29.781 29.700 0.069 0.000 0.745 265 E HN 0.450 nan 8.360 nan 0.000 0.477 266 L N -0.671 120.576 121.223 0.041 0.000 2.313 266 L HA 0.049 4.525 4.340 0.227 0.000 0.214 266 L C 1.583 178.465 176.870 0.020 0.000 1.119 266 L CA 0.358 55.213 54.840 0.026 0.000 0.809 266 L CB -0.664 41.407 42.059 0.021 0.000 0.933 266 L HN 0.278 nan 8.230 nan 0.000 0.449 267 G N 0.814 109.628 108.800 0.024 0.000 2.556 267 G HA2 -0.329 3.767 3.960 0.227 0.000 0.283 267 G HA3 -0.329 3.767 3.960 0.227 0.000 0.283 267 G C 0.522 175.431 174.900 0.015 0.000 1.177 267 G CA 0.294 45.405 45.100 0.019 0.000 0.978 267 G HN 0.191 nan 8.290 nan 0.000 0.554 268 K N 1.510 121.916 120.400 0.010 0.000 2.413 268 K HA 0.228 4.685 4.320 0.227 0.000 0.204 268 K C 0.058 176.658 176.600 0.001 0.000 1.041 268 K CA -0.096 56.195 56.287 0.007 0.000 1.082 268 K CB 0.329 32.832 32.500 0.006 0.000 0.871 268 K HN 0.537 nan 8.250 nan 0.000 0.535 269 D N 3.155 123.555 120.400 -0.000 0.000 2.506 269 D HA -0.071 4.705 4.640 0.227 0.000 0.234 269 D C 0.536 176.828 176.300 -0.012 0.000 1.143 269 D CA 0.587 54.583 54.000 -0.007 0.000 0.871 269 D CB 0.494 41.291 40.800 -0.005 0.000 1.190 269 D HN 0.217 nan 8.370 nan 0.000 0.459 270 N N 1.273 119.964 118.700 -0.016 0.000 2.405 270 N HA 0.084 4.960 4.740 0.227 0.000 0.269 270 N C 1.207 176.703 175.510 -0.024 0.000 1.249 270 N CA -0.626 52.412 53.050 -0.019 0.000 0.974 270 N CB 0.707 39.184 38.487 -0.018 0.000 1.204 270 N HN 0.148 nan 8.380 nan 0.000 0.565 271 I N -0.064 120.491 120.570 -0.025 0.000 2.113 271 I HA -0.270 4.036 4.170 0.227 0.000 0.242 271 I C 1.829 177.930 176.117 -0.027 0.000 1.064 271 I CA 1.774 63.066 61.300 -0.014 0.000 1.320 271 I CB -1.111 36.899 38.000 0.017 0.000 1.028 271 I HN 0.593 nan 8.210 nan 0.000 0.406 272 E N 0.616 120.784 120.200 -0.053 0.000 2.070 272 E HA -0.253 4.234 4.350 0.227 0.000 0.197 272 E C 2.232 178.792 176.600 -0.067 0.000 1.004 272 E CA 1.465 57.815 56.400 -0.085 0.000 0.805 272 E CB -0.264 29.390 29.700 -0.077 0.000 0.744 272 E HN 0.571 nan 8.360 nan 0.000 0.451 273 Q N -0.352 119.421 119.800 -0.045 0.000 2.172 273 Q HA -0.032 4.444 4.340 0.227 0.000 0.200 273 Q C 2.247 178.231 176.000 -0.026 0.000 0.964 273 Q CA 0.759 56.539 55.803 -0.037 0.000 0.855 273 Q CB -0.030 28.692 28.738 -0.027 0.000 0.918 273 Q HN 0.281 nan 8.270 nan 0.000 0.444 274 L N 0.217 121.433 121.223 -0.011 0.000 2.072 274 L HA -0.122 4.354 4.340 0.227 0.000 0.205 274 L C 2.502 179.398 176.870 0.044 0.000 1.079 274 L CA 0.759 55.608 54.840 0.014 0.000 0.752 274 L CB -0.518 41.549 42.059 0.013 0.000 0.906 274 L HN 0.231 nan 8.230 nan 0.000 0.436 275 A N -0.241 122.609 122.820 0.050 0.000 1.883 275 A HA -0.324 4.132 4.320 0.227 0.000 0.217 275 A C 2.176 179.723 177.584 -0.062 0.000 1.186 275 A CA 2.153 54.268 52.037 0.129 0.000 0.624 275 A CB -0.617 18.400 19.000 0.030 0.000 0.822 275 A HN 0.419 nan 8.150 nan 0.000 0.444 276 Q N -0.092 119.639 119.800 -0.115 0.000 2.124 276 Q HA -0.124 4.352 4.340 0.227 0.000 0.202 276 Q C 1.917 177.834 176.000 -0.139 0.000 0.977 276 Q CA 2.125 57.822 55.803 -0.176 0.000 0.850 276 Q CB -0.255 28.409 28.738 -0.123 0.000 0.901 276 Q HN 0.684 nan 8.270 nan 0.000 0.429 277 K N -1.028 119.333 120.400 -0.066 0.000 2.057 277 K HA -0.051 4.406 4.320 0.227 0.000 0.206 277 K C 1.986 178.580 176.600 -0.010 0.000 1.050 277 K CA 1.066 57.335 56.287 -0.030 0.000 0.935 277 K CB -0.396 32.103 32.500 -0.002 0.000 0.715 277 K HN 0.392 nan 8.250 nan 0.000 0.439 278 G N 1.724 110.545 108.800 0.034 0.000 2.421 278 G HA2 -0.293 3.803 3.960 0.227 0.000 0.216 278 G HA3 -0.293 3.803 3.960 0.227 0.000 0.216 278 G C 1.425 176.385 174.900 0.100 0.000 1.171 278 G CA 0.833 46.028 45.100 0.158 0.000 0.775 278 G HN 0.218 nan 8.290 nan 0.000 0.543 279 K N 0.200 120.414 120.400 -0.310 0.000 2.044 279 K HA -0.166 4.291 4.320 0.227 0.000 0.210 279 K C 2.077 178.599 176.600 -0.129 0.000 1.049 279 K CA 1.819 57.786 56.287 -0.533 0.000 0.927 279 K CB -0.150 31.820 32.500 -0.884 0.000 0.713 279 K HN 0.137 nan 8.250 nan 0.000 0.443 280 D N 0.145 120.482 120.400 -0.104 0.000 2.084 280 D HA -0.154 4.623 4.640 0.227 0.000 0.194 280 D C 1.832 178.141 176.300 0.015 0.000 0.990 280 D CA 1.505 55.484 54.000 -0.035 0.000 0.826 280 D CB -0.409 40.368 40.800 -0.039 0.000 0.971 280 D HN 0.371 nan 8.370 nan 0.000 0.453 281 A N 0.160 122.977 122.820 -0.005 0.000 1.917 281 A HA -0.198 4.258 4.320 0.227 0.000 0.219 281 A C 2.228 179.753 177.584 -0.098 0.000 1.182 281 A CA 1.552 53.549 52.037 -0.068 0.000 0.633 281 A CB -1.247 17.670 19.000 -0.138 0.000 0.819 281 A HN 0.332 nan 8.150 nan 0.000 0.448 282 W N -0.263 121.064 121.300 0.045 0.000 2.407 282 W HA -0.053 4.744 4.660 0.230 0.000 0.305 282 W C 2.240 178.814 176.519 0.093 0.000 1.196 282 W CA 1.229 58.614 57.345 0.067 0.000 1.311 282 W CB -0.420 29.096 29.460 0.093 0.000 1.135 282 W HN 0.416 nan 8.180 nan 0.000 0.514 283 N N -0.053 118.827 118.700 0.301 0.000 2.289 283 N HA -0.259 4.617 4.740 0.227 0.000 0.184 283 N C 1.628 177.283 175.510 0.242 0.000 1.016 283 N CA 1.290 54.512 53.050 0.287 0.000 0.872 283 N CB -0.254 38.343 38.487 0.184 0.000 0.973 283 N HN 0.076 nan 8.380 nan 0.000 0.433 284 Q N 1.087 120.985 119.800 0.162 0.000 2.084 284 Q HA -0.115 4.361 4.340 0.227 0.000 0.202 284 Q C 1.919 178.029 176.000 0.184 0.000 0.978 284 Q CA 1.602 57.486 55.803 0.136 0.000 0.844 284 Q CB -0.100 28.690 28.738 0.086 0.000 0.898 284 Q HN 0.406 nan 8.270 nan 0.000 0.426 285 V N -2.630 117.405 119.914 0.201 0.000 2.685 285 V HA 0.057 4.313 4.120 0.227 0.000 0.244 285 V C 2.091 178.389 176.094 0.340 0.000 1.054 285 V CA 1.003 63.488 62.300 0.307 0.000 1.076 285 V CB -0.589 31.308 31.823 0.122 0.000 0.725 285 V HN 0.303 nan 8.190 nan 0.000 0.467 286 L N 1.558 122.961 121.223 0.300 0.000 2.201 286 L HA 0.122 4.598 4.340 0.227 0.000 0.212 286 L C 2.593 179.456 176.870 -0.012 0.000 1.105 286 L CA 1.478 56.470 54.840 0.253 0.000 0.775 286 L CB -0.917 41.319 42.059 0.294 0.000 0.913 286 L HN 0.522 nan 8.230 nan 0.000 0.440 287 G N -0.781 108.013 108.800 -0.010 0.000 2.920 287 G HA2 -0.103 3.994 3.960 0.227 0.000 0.208 287 G HA3 -0.103 3.994 3.960 0.227 0.000 0.208 287 G C 1.468 176.369 174.900 0.000 0.000 1.159 287 G CA -0.085 44.904 45.100 -0.185 0.000 0.784 287 G HN 0.095 nan 8.290 nan 0.000 0.535 288 K N 0.232 120.672 120.400 0.067 0.000 2.362 288 K HA 0.092 4.548 4.320 0.227 0.000 0.200 288 K C 0.602 177.148 176.600 -0.090 0.000 1.046 288 K CA 0.416 56.734 56.287 0.052 0.000 0.952 288 K CB 0.147 32.635 32.500 -0.020 0.000 0.753 288 K HN 0.381 nan 8.250 nan 0.000 0.466 289 I N 1.679 122.185 120.570 -0.107 0.000 2.439 289 I HA 0.176 4.482 4.170 0.227 0.000 0.283 289 I C -0.582 175.362 176.117 -0.288 0.000 1.023 289 I CA -0.433 60.764 61.300 -0.171 0.000 1.100 289 I CB 1.713 39.706 38.000 -0.011 0.000 1.238 289 I HN -0.165 nan 8.210 nan 0.000 0.445 290 E N 6.142 126.127 120.200 -0.358 0.000 2.109 290 E HA 0.441 4.928 4.350 0.227 0.000 0.278 290 E C -0.688 175.720 176.600 -0.321 0.000 0.954 290 E CA -0.615 55.532 56.400 -0.421 0.000 0.779 290 E CB 2.559 32.208 29.700 -0.085 0.000 1.093 290 E HN 0.477 nan 8.360 nan 0.000 0.401 291 V N 0.667 120.349 119.914 -0.386 0.000 2.667 291 V HA 0.687 4.943 4.120 0.227 0.000 0.308 291 V C -0.485 175.451 176.094 -0.264 0.000 1.048 291 V CA -0.655 61.290 62.300 -0.592 0.000 0.928 291 V CB 1.585 32.465 31.823 -1.572 0.000 1.004 291 V HN 0.766 nan 8.190 nan 0.000 0.444 292 E N 1.910 122.044 120.200 -0.110 0.000 2.458 292 E HA 0.737 5.224 4.350 0.227 0.000 0.278 292 E C 0.238 177.007 176.600 0.281 0.000 1.004 292 E CA -0.897 55.594 56.400 0.151 0.000 0.823 292 E CB 1.441 31.206 29.700 0.109 0.000 1.396 292 E HN 1.873 nan 8.360 nan 0.000 0.463 293 G N -0.566 108.436 108.800 0.336 0.000 2.248 293 G HA2 0.053 4.150 3.960 0.227 0.000 0.263 293 G HA3 0.053 4.150 3.960 0.227 0.000 0.263 293 G C 0.124 175.158 174.900 0.222 0.000 1.082 293 G CA 0.096 45.338 45.100 0.237 0.000 0.863 293 G HN 0.879 nan 8.290 nan 0.000 0.495 294 G N -0.508 108.400 108.800 0.181 0.000 3.086 294 G HA2 0.809 4.906 3.960 0.227 0.000 0.282 294 G HA3 0.809 4.906 3.960 0.227 0.000 0.282 294 G C -0.377 174.284 174.900 -0.399 0.000 1.343 294 G CA 0.053 45.072 45.100 -0.135 0.000 0.895 294 G HN 1.064 nan 8.290 nan 0.000 0.557 295 N N -1.450 116.977 118.700 -0.455 0.000 2.483 295 N HA 0.391 5.267 4.740 0.227 0.000 0.285 295 N C 0.918 176.163 175.510 -0.442 0.000 1.210 295 N CA -0.887 51.957 53.050 -0.344 0.000 0.931 295 N CB 1.409 39.804 38.487 -0.153 0.000 1.220 295 N HN 0.334 nan 8.380 nan 0.000 0.542 296 L N -0.058 121.096 121.223 -0.115 0.000 2.127 296 L HA -0.121 4.355 4.340 0.227 0.000 0.211 296 L C 0.975 177.868 176.870 0.038 0.000 1.089 296 L CA 1.896 56.773 54.840 0.062 0.000 0.757 296 L CB -0.980 41.166 42.059 0.144 0.000 0.899 296 L HN 0.607 nan 8.230 nan 0.000 0.434 297 D N -0.845 119.550 120.400 -0.008 0.000 2.084 297 D HA -0.210 4.566 4.640 0.227 0.000 0.194 297 D C 2.198 178.521 176.300 0.038 0.000 0.990 297 D CA 1.448 55.457 54.000 0.016 0.000 0.826 297 D CB -0.100 40.694 40.800 -0.009 0.000 0.971 297 D HN 0.501 nan 8.370 nan 0.000 0.453 298 Q N -0.748 119.039 119.800 -0.022 0.000 2.050 298 Q HA -0.173 4.303 4.340 0.227 0.000 0.202 298 Q C 2.201 178.379 176.000 0.298 0.000 0.980 298 Q CA 1.014 56.866 55.803 0.083 0.000 0.840 298 Q CB -0.207 28.458 28.738 -0.121 0.000 0.898 298 Q HN 0.374 nan 8.270 nan 0.000 0.424 299 Y N 0.813 121.222 120.300 0.181 0.000 2.081 299 Y HA -0.234 4.452 4.550 0.226 0.000 0.280 299 Y C 2.353 178.335 175.900 0.137 0.000 1.163 299 Y CA 1.284 59.388 58.100 0.006 0.000 1.135 299 Y CB -0.529 37.586 38.460 -0.574 0.000 0.970 299 Y HN 0.036 nan 8.280 nan 0.000 0.498 300 R N -0.841 119.819 120.500 0.267 0.000 2.081 300 R HA -0.127 4.349 4.340 0.227 0.000 0.235 300 R C 2.206 178.647 176.300 0.235 0.000 1.131 300 R CA 1.975 58.253 56.100 0.297 0.000 0.960 300 R CB -0.690 29.737 30.300 0.212 0.000 0.856 300 R HN 0.287 nan 8.270 nan 0.000 0.436 301 T N 0.759 115.410 114.554 0.161 0.000 2.737 301 T HA -0.138 4.348 4.350 0.227 0.000 0.265 301 T C 1.392 176.120 174.700 0.047 0.000 1.038 301 T CA 1.216 63.304 62.100 -0.019 0.000 1.144 301 T CB -0.379 68.382 68.868 -0.177 0.000 0.866 301 T HN 0.145 nan 8.240 nan 0.000 0.434 302 F N 1.209 121.262 119.950 0.172 0.000 2.065 302 F HA -0.212 4.456 4.527 0.235 0.000 0.298 302 F C 1.937 177.754 175.800 0.029 0.000 1.112 302 F CA 1.383 59.509 58.000 0.210 0.000 1.212 302 F CB -0.510 38.571 39.000 0.135 0.000 0.975 302 F HN 0.160 nan 8.300 nan 0.000 0.476 303 Y N -0.534 119.927 120.300 0.268 0.000 2.457 303 Y HA -0.033 4.649 4.550 0.220 0.000 0.292 303 Y C 2.649 178.613 175.900 0.106 0.000 1.125 303 Y CA 1.066 59.255 58.100 0.148 0.000 1.254 303 Y CB -0.816 37.858 38.460 0.356 0.000 1.012 303 Y HN 0.005 nan 8.280 nan 0.000 0.555 304 S N -1.091 114.749 115.700 0.234 0.000 2.368 304 S HA -0.184 4.422 4.470 0.227 0.000 0.224 304 S C 2.157 176.886 174.600 0.215 0.000 1.029 304 S CA 1.334 59.657 58.200 0.204 0.000 0.988 304 S CB -0.665 62.607 63.200 0.120 0.000 0.838 304 S HN 0.533 nan 8.310 nan 0.000 0.462 305 C N 1.020 120.379 119.300 0.098 0.000 2.440 305 C HA 0.046 4.643 4.460 0.227 0.000 0.278 305 C C 2.484 177.493 174.990 0.032 0.000 1.295 305 C CA 0.349 59.437 59.018 0.115 0.000 1.738 305 C CB -1.273 26.520 27.740 0.089 0.000 1.987 305 C HN 0.525 nan 8.230 nan 0.000 0.492 306 L N 0.495 121.669 121.223 -0.082 0.000 2.056 306 L HA -0.094 4.383 4.340 0.227 0.000 0.207 306 L C 2.347 179.269 176.870 0.088 0.000 1.078 306 L CA 1.951 56.745 54.840 -0.076 0.000 0.749 306 L CB -1.362 40.596 42.059 -0.169 0.000 0.901 306 L HN 0.536 nan 8.230 nan 0.000 0.433 307 Y N 0.259 120.558 120.300 -0.000 0.000 2.128 307 Y HA -0.230 4.459 4.550 0.231 0.000 0.284 307 Y C 2.401 178.277 175.900 -0.040 0.000 1.154 307 Y CA 1.684 59.734 58.100 -0.083 0.000 1.149 307 Y CB -0.357 37.917 38.460 -0.309 0.000 0.976 307 Y HN 0.081 nan 8.280 nan 0.000 0.505 308 R N 0.271 120.614 120.500 -0.263 0.000 2.193 308 R HA -0.057 4.419 4.340 0.227 0.000 0.229 308 R C 1.899 178.139 176.300 -0.100 0.000 1.110 308 R CA 1.110 57.031 56.100 -0.298 0.000 0.988 308 R CB -0.828 29.457 30.300 -0.026 0.000 0.871 308 R HN 0.341 nan 8.270 nan 0.000 0.458 309 S N 0.461 116.140 115.700 -0.035 0.000 2.631 309 S HA 0.203 4.810 4.470 0.227 0.000 0.217 309 S C 1.028 175.619 174.600 -0.016 0.000 0.958 309 S CA 0.123 58.340 58.200 0.029 0.000 0.920 309 S CB 0.231 63.462 63.200 0.053 0.000 0.776 309 S HN 0.186 nan 8.310 nan 0.000 0.517 310 L N 0.690 121.809 121.223 -0.174 0.000 3.288 310 L HA 0.419 4.895 4.340 0.227 0.000 0.293 310 L C 0.462 176.780 176.870 -0.920 0.000 1.294 310 L CA 0.145 54.627 54.840 -0.597 0.000 1.006 310 L CB 0.194 41.857 42.059 -0.660 0.000 1.407 310 L HN 0.221 nan 8.230 nan 0.000 0.592 311 L N -1.341 119.666 121.223 -0.360 0.000 2.600 311 L HA 0.356 4.832 4.340 0.227 0.000 0.213 311 L C -0.118 176.712 176.870 -0.068 0.000 1.045 311 L CA 0.351 55.031 54.840 -0.267 0.000 0.863 311 L CB 0.517 42.364 42.059 -0.353 0.000 1.189 311 L HN 0.030 nan 8.230 nan 0.000 0.484 312 F N 0.683 120.819 119.950 0.311 0.000 2.546 312 F HA 0.504 5.162 4.527 0.219 0.000 0.320 312 F C -2.167 173.827 175.800 0.324 0.000 1.076 312 F CA -2.642 55.576 58.000 0.364 0.000 0.928 312 F CB 0.830 39.986 39.000 0.259 0.000 1.189 312 F HN -0.270 nan 8.300 nan 0.000 0.465 313 P HA 0.172 nan 4.420 nan 0.000 0.272 313 P C -1.040 176.641 177.300 0.634 0.000 1.230 313 P CA -0.542 62.904 63.100 0.575 0.000 0.788 313 P CB 0.876 32.884 31.700 0.513 0.000 0.949 314 R N 0.691 121.494 120.500 0.505 0.000 2.500 314 R HA 0.386 4.863 4.340 0.227 0.000 0.277 314 R C -0.101 176.420 176.300 0.368 0.000 1.026 314 R CA -0.904 55.423 56.100 0.378 0.000 1.058 314 R CB 0.622 30.957 30.300 0.059 0.000 1.078 314 R HN 0.266 nan 8.270 nan 0.000 0.509 315 K N 1.407 121.869 120.400 0.103 0.000 2.524 315 K HA -0.105 4.351 4.320 0.227 0.000 0.279 315 K C -0.485 176.029 176.600 -0.144 0.000 0.993 315 K CA 0.620 56.610 56.287 -0.496 0.000 1.030 315 K CB 0.232 32.455 32.500 -0.462 0.000 0.891 315 K HN 0.542 nan 8.250 nan 0.000 0.488 316 F N 3.789 123.552 119.950 -0.312 0.000 2.791 316 F HA 0.157 4.817 4.527 0.221 0.000 0.316 316 F C -0.936 174.920 175.800 0.093 0.000 1.134 316 F CA -0.707 57.261 58.000 -0.055 0.000 1.222 316 F CB 0.480 39.469 39.000 -0.018 0.000 1.034 316 F HN 0.484 nan 8.300 nan 0.000 0.516 317 Y N -0.832 119.470 120.300 0.002 0.000 2.549 317 Y HA 0.824 5.503 4.550 0.214 0.000 0.339 317 Y C -0.839 175.103 175.900 0.069 0.000 1.053 317 Y CA -1.418 56.737 58.100 0.092 0.000 1.105 317 Y CB 0.876 39.435 38.460 0.165 0.000 1.258 317 Y HN 0.041 nan 8.280 nan 0.000 0.478 318 E N 1.734 122.080 120.200 0.244 0.000 2.312 318 E HA 0.457 4.943 4.350 0.227 0.000 0.267 318 E C -1.784 174.944 176.600 0.213 0.000 0.894 318 E CA -1.233 55.253 56.400 0.142 0.000 0.773 318 E CB 2.426 32.176 29.700 0.083 0.000 1.241 318 E HN 0.443 nan 8.360 nan 0.000 0.432 319 L N 3.221 124.540 121.223 0.160 0.000 2.265 319 L HA 0.177 4.653 4.340 0.227 0.000 0.288 319 L C 0.155 177.079 176.870 0.089 0.000 1.058 319 L CA -0.087 54.840 54.840 0.144 0.000 0.809 319 L CB 0.183 42.323 42.059 0.136 0.000 1.179 319 L HN 0.567 nan 8.230 nan 0.000 0.429 320 D N 2.610 123.051 120.400 0.068 0.000 2.425 320 D HA 0.203 4.980 4.640 0.227 0.000 0.274 320 D C 1.204 177.526 176.300 0.037 0.000 1.242 320 D CA 0.085 54.110 54.000 0.042 0.000 1.060 320 D CB 0.312 41.126 40.800 0.025 0.000 1.112 320 D HN 0.422 nan 8.370 nan 0.000 0.561 321 A N -0.333 122.502 122.820 0.026 0.000 1.958 321 A HA -0.252 4.204 4.320 0.227 0.000 0.221 321 A C 1.679 179.279 177.584 0.027 0.000 1.178 321 A CA 1.683 53.734 52.037 0.024 0.000 0.642 321 A CB -0.776 18.233 19.000 0.016 0.000 0.816 321 A HN 0.586 nan 8.150 nan 0.000 0.453 322 N N -1.178 117.537 118.700 0.025 0.000 2.280 322 N HA 0.183 5.059 4.740 0.227 0.000 0.192 322 N C 1.043 176.575 175.510 0.036 0.000 1.109 322 N CA 0.949 54.015 53.050 0.026 0.000 0.855 322 N CB 0.444 38.941 38.487 0.018 0.000 0.974 322 N HN 0.667 nan 8.380 nan 0.000 0.482 323 G N 0.884 109.712 108.800 0.048 0.000 2.143 323 G HA2 -0.238 3.858 3.960 0.227 0.000 0.248 323 G HA3 -0.238 3.858 3.960 0.227 0.000 0.248 323 G C -0.178 174.761 174.900 0.065 0.000 0.991 323 G CA -0.096 45.044 45.100 0.067 0.000 0.689 323 G HN 0.194 nan 8.290 nan 0.000 0.522 324 Q N 0.457 120.280 119.800 0.038 0.000 2.256 324 Q HA 0.397 4.873 4.340 0.227 0.000 0.254 324 Q C -2.269 173.731 176.000 -0.001 0.000 0.916 324 Q CA -2.287 53.516 55.803 -0.001 0.000 0.932 324 Q CB 1.445 30.170 28.738 -0.022 0.000 1.207 324 Q HN 0.271 nan 8.270 nan 0.000 0.426 325 P HA 0.067 nan 4.420 nan 0.000 0.263 325 P C -0.334 176.947 177.300 -0.032 0.000 1.195 325 P CA 0.403 63.452 63.100 -0.086 0.000 0.762 325 P CB 0.172 31.485 31.700 -0.646 0.000 0.799 326 I N 1.273 121.905 120.570 0.104 0.000 2.934 326 I HA 0.681 4.987 4.170 0.227 0.000 0.306 326 I C -0.492 175.743 176.117 0.197 0.000 1.110 326 I CA -1.080 60.255 61.300 0.059 0.000 1.019 326 I CB 2.738 40.739 38.000 0.002 0.000 1.227 326 I HN 0.378 nan 8.210 nan 0.000 0.434 327 H N 1.748 120.911 119.070 0.154 0.000 2.930 327 H HA 0.324 5.018 4.556 0.231 0.000 0.371 327 H C -2.133 173.332 175.328 0.229 0.000 1.169 327 H CA -0.800 55.375 56.048 0.212 0.000 1.157 327 H CB 1.467 31.403 29.762 0.291 0.000 1.789 327 H HN 0.823 nan 8.280 nan 0.000 0.547 328 Y N 2.267 122.717 120.300 0.251 0.000 2.465 328 Y HA 0.168 4.853 4.550 0.225 0.000 0.331 328 Y C 0.375 176.568 175.900 0.489 0.000 1.102 328 Y CA -0.008 58.255 58.100 0.271 0.000 1.358 328 Y CB 0.920 39.527 38.460 0.245 0.000 1.213 328 Y HN 0.673 nan 8.280 nan 0.000 0.525 329 S N 8.646 124.237 115.700 -0.181 0.000 2.422 329 S HA 0.236 4.843 4.470 0.227 0.000 0.283 329 S C -1.650 172.663 174.600 -0.479 0.000 1.163 329 S CA -1.424 56.736 58.200 -0.068 0.000 1.054 329 S CB 0.544 63.758 63.200 0.023 0.000 0.967 329 S HN 0.687 nan 8.310 nan 0.000 0.499 330 P HA 0.008 nan 4.420 nan 0.000 0.242 330 P C 0.121 177.041 177.300 -0.633 0.000 1.197 330 P CA 0.666 63.469 63.100 -0.494 0.000 0.765 330 P CB -0.080 31.110 31.700 -0.851 0.000 0.936 331 Y N 1.546 121.720 120.300 -0.209 0.000 2.301 331 Y HA 0.006 4.690 4.550 0.224 0.000 0.295 331 Y C 2.223 178.072 175.900 -0.085 0.000 1.126 331 Y CA 1.425 59.431 58.100 -0.156 0.000 1.154 331 Y CB -0.711 37.664 38.460 -0.141 0.000 1.075 331 Y HN 0.084 nan 8.280 nan 0.000 0.534 332 N N -1.594 117.135 118.700 0.048 0.000 2.210 332 N HA 0.204 5.080 4.740 0.227 0.000 0.203 332 N C 1.341 176.829 175.510 -0.038 0.000 1.175 332 N CA 0.793 53.855 53.050 0.019 0.000 0.894 332 N CB 0.692 39.198 38.487 0.030 0.000 1.041 332 N HN 0.282 nan 8.380 nan 0.000 0.506 333 G N -0.192 108.505 108.800 -0.172 0.000 2.157 333 G HA2 -0.301 3.795 3.960 0.227 0.000 0.248 333 G HA3 -0.301 3.795 3.960 0.227 0.000 0.248 333 G C -0.244 174.589 174.900 -0.113 0.000 0.979 333 G CA 0.391 45.363 45.100 -0.214 0.000 0.650 333 G HN 0.511 nan 8.290 nan 0.000 0.529 334 Q N -0.963 118.779 119.800 -0.098 0.000 2.237 334 Q HA 0.654 5.130 4.340 0.227 0.000 0.219 334 Q C -0.004 175.973 176.000 -0.039 0.000 0.999 334 Q CA -0.585 55.201 55.803 -0.029 0.000 0.959 334 Q CB 1.827 30.554 28.738 -0.020 0.000 1.173 334 Q HN 0.199 nan 8.270 nan 0.000 0.527 335 V N 2.349 122.258 119.914 -0.008 0.000 2.313 335 V HA 0.348 4.604 4.120 0.227 0.000 0.278 335 V C -0.683 175.333 176.094 -0.131 0.000 1.017 335 V CA -0.330 61.954 62.300 -0.027 0.000 0.823 335 V CB 0.351 32.199 31.823 0.041 0.000 1.010 335 V HN 0.473 nan 8.190 nan 0.000 0.443 336 L N 7.187 128.213 121.223 -0.328 0.000 2.333 336 L HA 0.658 5.134 4.340 0.227 0.000 0.269 336 L C -2.269 174.342 176.870 -0.431 0.000 1.010 336 L CA -2.074 52.564 54.840 -0.337 0.000 0.818 336 L CB 2.613 44.529 42.059 -0.238 0.000 1.306 336 L HN 0.348 nan 8.230 nan 0.000 0.430 337 P HA 0.309 nan 4.420 nan 0.000 0.272 337 P C 0.017 177.297 177.300 -0.032 0.000 1.230 337 P CA 0.290 63.320 63.100 -0.116 0.000 0.788 337 P CB 1.055 32.714 31.700 -0.068 0.000 0.949 338 G N 0.116 108.891 108.800 -0.042 0.000 2.566 338 G HA2 -0.093 4.003 3.960 0.227 0.000 0.599 338 G HA3 -0.093 4.003 3.960 0.227 0.000 0.599 338 G C -1.453 173.443 174.900 -0.006 0.000 1.292 338 G CA -0.926 44.115 45.100 -0.099 0.000 0.922 338 G HN 0.310 nan 8.290 nan 0.000 0.514 339 Y N -0.764 119.560 120.300 0.039 0.000 2.326 339 Y HA 0.715 5.419 4.550 0.257 0.000 0.333 339 Y C 0.944 176.863 175.900 0.032 0.000 1.240 339 Y CA 0.214 58.283 58.100 -0.052 0.000 1.365 339 Y CB 1.555 40.026 38.460 0.017 0.000 1.289 339 Y HN 0.840 nan 8.280 nan 0.000 0.548 340 M N 2.999 122.787 119.600 0.313 0.000 2.365 340 M HA 0.578 5.195 4.480 0.227 0.000 0.288 340 M C -2.424 174.088 176.300 0.354 0.000 1.152 340 M CA -0.825 54.607 55.300 0.220 0.000 0.948 340 M CB 1.210 33.724 32.600 -0.142 0.000 1.729 340 M HN 0.393 nan 8.290 nan 0.000 0.487 341 F N 0.702 120.823 119.950 0.285 0.000 2.629 341 F HA 0.918 5.604 4.527 0.265 0.000 0.316 341 F C 0.167 176.079 175.800 0.186 0.000 1.081 341 F CA -0.316 57.863 58.000 0.299 0.000 0.954 341 F CB 2.473 41.639 39.000 0.276 0.000 1.337 341 F HN 0.685 nan 8.300 nan 0.000 0.474 342 T N -1.095 113.680 114.554 0.370 0.000 2.661 342 T HA 0.359 4.845 4.350 0.227 0.000 0.305 342 T C -2.263 172.617 174.700 0.300 0.000 1.441 342 T CA -0.526 61.689 62.100 0.193 0.000 0.999 342 T CB 0.923 69.702 68.868 -0.148 0.000 1.650 342 T HN 0.641 nan 8.240 nan 0.000 0.489 343 D N 0.919 121.479 120.400 0.265 0.000 2.872 343 D HA -0.083 4.694 4.640 0.227 0.000 0.248 343 D C -0.591 175.911 176.300 0.337 0.000 1.104 343 D CA 1.464 55.719 54.000 0.426 0.000 0.784 343 D CB -1.418 39.750 40.800 0.614 0.000 1.036 343 D HN 0.679 nan 8.370 nan 0.000 0.426 344 T N -1.129 113.415 114.554 -0.018 0.000 2.942 344 T HA 0.581 5.067 4.350 0.227 0.000 0.327 344 T C -0.566 173.379 174.700 -1.259 0.000 1.360 344 T CA 0.008 61.878 62.100 -0.384 0.000 1.055 344 T CB 1.709 70.599 68.868 0.037 0.000 1.261 344 T HN 0.235 nan 8.240 nan 0.000 0.485 345 G N 2.572 110.362 108.800 -1.684 0.000 2.415 345 G HA2 0.537 4.633 3.960 0.227 0.000 0.317 345 G HA3 0.537 4.633 3.960 0.227 0.000 0.317 345 G C 0.475 175.070 174.900 -0.508 0.000 1.152 345 G CA -0.556 43.378 45.100 -1.943 0.000 0.956 345 G HN 0.611 nan 8.290 nan 0.000 0.458 346 F N 1.024 120.851 119.950 -0.206 0.000 2.333 346 F HA 0.032 4.689 4.527 0.216 0.000 0.300 346 F C 1.975 177.951 175.800 0.294 0.000 1.083 346 F CA -0.054 57.972 58.000 0.044 0.000 1.395 346 F CB -0.278 38.713 39.000 -0.014 0.000 1.056 346 F HN 0.766 nan 8.300 nan 0.000 0.529 347 W N 1.449 122.917 121.300 0.280 0.000 2.374 347 W HA -0.172 4.624 4.660 0.227 0.000 0.288 347 W C 1.838 178.534 176.519 0.296 0.000 1.218 347 W CA 1.706 59.284 57.345 0.389 0.000 1.245 347 W CB -0.156 29.499 29.460 0.326 0.000 1.126 347 W HN -0.123 nan 8.180 nan 0.000 0.545 348 D N -0.820 119.800 120.400 0.366 0.000 2.106 348 D HA -0.130 4.647 4.640 0.227 0.000 0.203 348 D C 2.139 178.424 176.300 -0.025 0.000 0.977 348 D CA 2.587 56.652 54.000 0.108 0.000 0.844 348 D CB -0.864 40.075 40.800 0.233 0.000 1.002 348 D HN 0.217 nan 8.370 nan 0.000 0.461 349 T N -0.689 113.959 114.554 0.158 0.000 3.129 349 T HA 0.005 4.492 4.350 0.227 0.000 0.251 349 T C 1.833 176.721 174.700 0.313 0.000 1.117 349 T CA -0.204 62.052 62.100 0.261 0.000 1.034 349 T CB -0.717 68.423 68.868 0.453 0.000 0.968 349 T HN 0.226 nan 8.240 nan 0.000 0.526 350 F N 1.749 121.795 119.950 0.161 0.000 2.407 350 F HA 0.289 4.949 4.527 0.223 0.000 0.299 350 F C 2.185 177.981 175.800 -0.006 0.000 1.097 350 F CA -0.212 57.802 58.000 0.024 0.000 1.422 350 F CB -0.348 38.606 39.000 -0.077 0.000 1.067 350 F HN -0.054 nan 8.300 nan 0.000 0.539 351 R N 0.420 120.443 120.500 -0.795 0.000 2.062 351 R HA -0.068 4.409 4.340 0.227 0.000 0.231 351 R C 1.864 177.997 176.300 -0.278 0.000 1.136 351 R CA 1.979 57.618 56.100 -0.768 0.000 0.948 351 R CB -0.698 29.177 30.300 -0.709 0.000 0.845 351 R HN 0.637 nan 8.270 nan 0.000 0.430 352 C N -2.397 116.855 119.300 -0.081 0.000 4.015 352 C HA 0.364 4.960 4.460 0.227 0.000 0.323 352 C C 1.773 176.914 174.990 0.253 0.000 1.724 352 C CA -0.905 58.091 59.018 -0.036 0.000 1.828 352 C CB -0.553 27.086 27.740 -0.168 0.000 3.083 352 C HN 0.345 nan 8.230 nan 0.000 0.640 353 L N 0.956 122.313 121.223 0.223 0.000 2.007 353 L HA 0.213 4.690 4.340 0.227 0.000 0.205 353 L C 2.205 179.184 176.870 0.181 0.000 1.073 353 L CA 2.168 57.139 54.840 0.218 0.000 0.744 353 L CB -1.181 40.987 42.059 0.180 0.000 0.898 353 L HN 0.342 nan 8.230 nan 0.000 0.435 354 F N 0.821 120.868 119.950 0.162 0.000 2.171 354 F HA -0.086 4.619 4.527 0.298 0.000 0.300 354 F C -0.279 175.615 175.800 0.157 0.000 1.090 354 F CA 1.474 59.554 58.000 0.133 0.000 1.293 354 F CB -1.752 37.279 39.000 0.052 0.000 1.013 354 F HN 0.208 nan 8.300 nan 0.000 0.486 355 P HA -0.195 nan 4.420 nan 0.000 0.218 355 P C 1.843 179.440 177.300 0.495 0.000 1.148 355 P CA 1.098 64.387 63.100 0.314 0.000 0.822 355 P CB -0.009 31.790 31.700 0.165 0.000 0.784 356 L N -0.987 120.545 121.223 0.515 0.000 2.083 356 L HA -0.122 4.355 4.340 0.227 0.000 0.209 356 L C 2.084 179.168 176.870 0.356 0.000 1.083 356 L CA 1.714 56.771 54.840 0.363 0.000 0.752 356 L CB -1.305 40.825 42.059 0.118 0.000 0.899 356 L HN -0.094 nan 8.230 nan 0.000 0.433 357 L N -0.906 120.515 121.223 0.330 0.000 2.056 357 L HA -0.219 4.257 4.340 0.227 0.000 0.207 357 L C 2.086 179.142 176.870 0.310 0.000 1.078 357 L CA 1.774 56.821 54.840 0.344 0.000 0.749 357 L CB -0.807 41.336 42.059 0.141 0.000 0.901 357 L HN 0.385 nan 8.230 nan 0.000 0.433 358 N N -0.145 118.725 118.700 0.284 0.000 2.289 358 N HA -0.185 4.691 4.740 0.227 0.000 0.184 358 N C 1.694 177.438 175.510 0.390 0.000 1.016 358 N CA 0.622 53.825 53.050 0.255 0.000 0.872 358 N CB 0.065 38.635 38.487 0.139 0.000 0.973 358 N HN 0.175 nan 8.380 nan 0.000 0.433 359 L N -0.291 121.201 121.223 0.448 0.000 2.130 359 L HA 0.136 4.613 4.340 0.227 0.000 0.200 359 L C 1.568 178.716 176.870 0.464 0.000 1.075 359 L CA 1.407 56.564 54.840 0.528 0.000 0.768 359 L CB 0.042 42.404 42.059 0.505 0.000 0.933 359 L HN 0.085 nan 8.230 nan 0.000 0.451 360 M N -1.776 117.945 119.600 0.203 0.000 2.491 360 M HA 0.202 4.818 4.480 0.227 0.000 0.259 360 M C -0.223 175.718 176.300 -0.600 0.000 1.163 360 M CA 0.575 55.746 55.300 -0.216 0.000 1.109 360 M CB -0.027 32.263 32.600 -0.516 0.000 1.353 360 M HN 0.169 nan 8.290 nan 0.000 0.500 361 Y N -0.758 119.677 120.300 0.225 0.000 2.501 361 Y HA 0.324 4.867 4.550 -0.012 0.000 0.331 361 Y C -1.868 174.083 175.900 0.085 0.000 0.950 361 Y CA -1.789 56.403 58.100 0.153 0.000 1.120 361 Y CB -0.168 38.395 38.460 0.173 0.000 1.154 361 Y HN 0.050 nan 8.280 nan 0.000 0.630 362 P HA -0.167 nan 4.420 nan 0.000 0.217 362 P C 1.777 179.117 177.300 0.066 0.000 1.151 362 P CA 1.913 65.107 63.100 0.157 0.000 0.828 362 P CB 0.232 32.062 31.700 0.216 0.000 0.788 363 S N -1.235 114.503 115.700 0.063 0.000 2.442 363 S HA -0.090 4.516 4.470 0.227 0.000 0.236 363 S C 1.889 176.449 174.600 -0.067 0.000 1.007 363 S CA 1.176 59.384 58.200 0.012 0.000 0.965 363 S CB -1.583 61.641 63.200 0.040 0.000 0.773 363 S HN -0.024 nan 8.310 nan 0.000 0.504 364 V N 2.277 122.127 119.914 -0.107 0.000 2.426 364 V HA -0.004 4.253 4.120 0.227 0.000 0.242 364 V C 2.671 178.534 176.094 -0.386 0.000 1.036 364 V CA 1.632 63.738 62.300 -0.323 0.000 1.044 364 V CB -1.086 30.368 31.823 -0.615 0.000 0.688 364 V HN 0.509 nan 8.190 nan 0.000 0.462 365 N N 0.783 119.340 118.700 -0.239 0.000 2.272 365 N HA -0.217 4.660 4.740 0.227 0.000 0.185 365 N C 1.674 177.084 175.510 -0.167 0.000 1.014 365 N CA 1.478 54.418 53.050 -0.182 0.000 0.870 365 N CB -0.211 38.273 38.487 -0.005 0.000 0.975 365 N HN 0.408 nan 8.380 nan 0.000 0.433 366 K N 1.258 121.578 120.400 -0.134 0.000 2.001 366 K HA -0.153 4.303 4.320 0.227 0.000 0.214 366 K C 1.649 178.137 176.600 -0.187 0.000 1.050 366 K CA 1.799 58.019 56.287 -0.112 0.000 0.934 366 K CB -0.429 32.027 32.500 -0.074 0.000 0.718 366 K HN 0.312 nan 8.250 nan 0.000 0.443 367 E N -0.150 119.850 120.200 -0.332 0.000 2.070 367 E HA -0.238 4.248 4.350 0.227 0.000 0.197 367 E C 2.180 178.581 176.600 -0.332 0.000 1.004 367 E CA 1.968 58.042 56.400 -0.544 0.000 0.805 367 E CB -0.229 29.131 29.700 -0.568 0.000 0.744 367 E HN 0.386 nan 8.360 nan 0.000 0.451 368 M N 0.542 119.775 119.600 -0.611 0.000 2.086 368 M HA -0.215 4.401 4.480 0.227 0.000 0.261 368 M C 2.378 178.594 176.300 -0.139 0.000 1.067 368 M CA 1.355 56.245 55.300 -0.682 0.000 1.116 368 M CB -0.140 32.072 32.600 -0.647 0.000 1.348 368 M HN -0.016 nan 8.290 nan 0.000 0.407 369 Q N 0.428 120.167 119.800 -0.103 0.000 2.077 369 Q HA -0.194 4.282 4.340 0.227 0.000 0.206 369 Q C 1.958 177.988 176.000 0.050 0.000 0.989 369 Q CA 1.471 57.252 55.803 -0.037 0.000 0.853 369 Q CB -0.685 28.024 28.738 -0.049 0.000 0.907 369 Q HN 0.533 nan 8.270 nan 0.000 0.418 370 E N -0.049 120.199 120.200 0.080 0.000 2.085 370 E HA -0.135 4.352 4.350 0.227 0.000 0.194 370 E C 2.089 178.833 176.600 0.241 0.000 0.994 370 E CA 1.233 57.746 56.400 0.188 0.000 0.801 370 E CB -0.562 29.320 29.700 0.303 0.000 0.743 370 E HN 0.516 nan 8.360 nan 0.000 0.453 371 G N 1.488 110.460 108.800 0.287 0.000 2.469 371 G HA2 -0.254 3.842 3.960 0.227 0.000 0.220 371 G HA3 -0.254 3.842 3.960 0.227 0.000 0.220 371 G C 1.718 176.774 174.900 0.260 0.000 1.136 371 G CA 0.758 46.068 45.100 0.350 0.000 0.759 371 G HN 0.190 nan 8.290 nan 0.000 0.562 372 L N 0.244 121.603 121.223 0.227 0.000 2.156 372 L HA 0.001 4.477 4.340 0.227 0.000 0.208 372 L C 2.764 179.879 176.870 0.407 0.000 1.095 372 L CA 0.116 55.118 54.840 0.271 0.000 0.770 372 L CB -0.321 41.809 42.059 0.119 0.000 0.914 372 L HN 0.123 nan 8.230 nan 0.000 0.439 373 I N 0.409 121.175 120.570 0.327 0.000 2.179 373 I HA -0.295 4.012 4.170 0.227 0.000 0.242 373 I C 2.050 178.296 176.117 0.215 0.000 1.088 373 I CA 1.695 63.195 61.300 0.333 0.000 1.357 373 I CB -1.380 36.759 38.000 0.231 0.000 1.051 373 I HN 0.376 nan 8.210 nan 0.000 0.409 374 N N -0.025 118.774 118.700 0.164 0.000 2.149 374 N HA -0.165 4.711 4.740 0.227 0.000 0.188 374 N C 1.669 177.187 175.510 0.013 0.000 1.019 374 N CA 1.735 54.844 53.050 0.099 0.000 0.857 374 N CB -0.102 38.455 38.487 0.117 0.000 0.997 374 N HN 0.355 nan 8.380 nan 0.000 0.426 375 T N 0.034 114.586 114.554 -0.002 0.000 2.684 375 T HA -0.207 4.279 4.350 0.227 0.000 0.267 375 T C 1.632 176.183 174.700 -0.248 0.000 1.036 375 T CA 1.169 63.106 62.100 -0.272 0.000 1.148 375 T CB -0.441 68.332 68.868 -0.159 0.000 0.863 375 T HN 0.364 nan 8.240 nan 0.000 0.436 376 Y N 1.597 121.756 120.300 -0.235 0.000 2.242 376 Y HA 0.052 4.737 4.550 0.226 0.000 0.291 376 Y C 1.963 177.676 175.900 -0.312 0.000 1.137 376 Y CA 0.769 58.610 58.100 -0.431 0.000 1.181 376 Y CB -0.605 37.247 38.460 -1.014 0.000 0.989 376 Y HN 0.120 nan 8.280 nan 0.000 0.527 377 L N 0.102 121.106 121.223 -0.365 0.000 2.012 377 L HA -0.242 4.234 4.340 0.227 0.000 0.210 377 L C 2.223 178.914 176.870 -0.299 0.000 1.073 377 L CA 2.112 56.730 54.840 -0.371 0.000 0.748 377 L CB -0.462 41.517 42.059 -0.133 0.000 0.891 377 L HN 0.265 nan 8.230 nan 0.000 0.431 378 E N -1.058 119.028 120.200 -0.190 0.000 2.299 378 E HA -0.090 4.397 4.350 0.227 0.000 0.193 378 E C 1.937 178.496 176.600 -0.069 0.000 0.998 378 E CA 1.061 57.409 56.400 -0.088 0.000 0.851 378 E CB 0.265 29.980 29.700 0.025 0.000 0.795 378 E HN 0.499 nan 8.360 nan 0.000 0.492 379 S N -2.279 113.342 115.700 -0.132 0.000 2.593 379 S HA 0.298 4.905 4.470 0.227 0.000 0.235 379 S C 1.640 176.263 174.600 0.038 0.000 1.059 379 S CA 0.239 58.471 58.200 0.052 0.000 0.953 379 S CB 1.095 64.405 63.200 0.183 0.000 0.897 379 S HN 0.272 nan 8.310 nan 0.000 0.507 380 G N 0.610 109.257 108.800 -0.255 0.000 2.195 380 G HA2 -0.196 3.901 3.960 0.227 0.000 0.246 380 G HA3 -0.196 3.901 3.960 0.227 0.000 0.246 380 G C -0.146 174.544 174.900 -0.351 0.000 0.984 380 G CA 0.236 45.051 45.100 -0.475 0.000 0.633 380 G HN 0.506 nan 8.290 nan 0.000 0.525 381 F N -0.445 119.552 119.950 0.079 0.000 2.588 381 F HA 0.778 5.440 4.527 0.225 0.000 0.314 381 F C 0.197 176.076 175.800 0.131 0.000 1.069 381 F CA -1.486 56.618 58.000 0.174 0.000 0.931 381 F CB 1.142 40.195 39.000 0.089 0.000 1.260 381 F HN -0.076 nan 8.300 nan 0.000 0.465 382 F N 3.438 123.609 119.950 0.369 0.000 2.459 382 F HA 0.313 4.980 4.527 0.234 0.000 0.346 382 F C -1.812 174.164 175.800 0.293 0.000 1.128 382 F CA -2.276 55.870 58.000 0.244 0.000 1.268 382 F CB -0.098 38.949 39.000 0.078 0.000 1.161 382 F HN 0.117 nan 8.300 nan 0.000 0.583 383 P HA 0.197 nan 4.420 nan 0.000 0.278 383 P C -0.430 177.077 177.300 0.344 0.000 1.258 383 P CA -0.161 63.221 63.100 0.470 0.000 0.811 383 P CB 1.814 33.757 31.700 0.406 0.000 1.063 384 E N 0.037 120.353 120.200 0.194 0.000 2.629 384 E HA 0.093 4.579 4.350 0.227 0.000 0.197 384 E C -0.270 176.267 176.600 -0.104 0.000 0.955 384 E CA 0.712 57.208 56.400 0.160 0.000 1.191 384 E CB -0.066 29.765 29.700 0.219 0.000 1.175 384 E HN 0.474 nan 8.360 nan 0.000 0.501 385 W N 1.201 122.505 121.300 0.006 0.000 2.361 385 W HA 0.582 5.386 4.660 0.240 0.000 0.314 385 W C -0.750 175.767 176.519 -0.004 0.000 1.041 385 W CA -0.345 56.985 57.345 -0.025 0.000 1.241 385 W CB 1.508 30.973 29.460 0.009 0.000 1.279 385 W HN -0.002 nan 8.180 nan 0.000 0.436 386 A N 3.140 126.156 122.820 0.328 0.000 2.330 386 A HA 0.710 5.167 4.320 0.227 0.000 0.313 386 A C -0.615 177.123 177.584 0.256 0.000 1.124 386 A CA -0.534 51.632 52.037 0.215 0.000 0.774 386 A CB 1.781 20.840 19.000 0.098 0.000 1.198 386 A HN 0.348 nan 8.150 nan 0.000 0.465 387 S N 3.541 119.274 115.700 0.054 0.000 2.828 387 S HA 0.437 5.044 4.470 0.227 0.000 0.149 387 S C -2.622 171.756 174.600 -0.370 0.000 0.924 387 S CA -0.472 57.725 58.200 -0.005 0.000 1.044 387 S CB 0.765 64.097 63.200 0.219 0.000 1.595 387 S HN 0.428 nan 8.310 nan 0.000 0.454 388 P HA 0.274 nan 4.420 nan 0.000 0.226 388 P C 1.125 177.969 177.300 -0.760 0.000 1.160 388 P CA 0.573 63.170 63.100 -0.837 0.000 0.837 388 P CB -0.036 30.862 31.700 -1.337 0.000 0.860 389 G N -0.345 107.982 108.800 -0.789 0.000 2.509 389 G HA2 0.126 4.223 3.960 0.227 0.000 0.269 389 G HA3 0.126 4.223 3.960 0.227 0.000 0.269 389 G C -0.533 174.139 174.900 -0.380 0.000 1.416 389 G CA -0.316 44.224 45.100 -0.933 0.000 1.052 389 G HN 0.110 nan 8.290 nan 0.000 0.542 390 H N 0.820 119.847 119.070 -0.071 0.000 3.004 390 H HA 0.238 4.930 4.556 0.226 0.000 0.316 390 H C 0.324 175.590 175.328 -0.104 0.000 1.014 390 H CA 0.442 56.475 56.048 -0.025 0.000 1.454 390 H CB 0.459 30.138 29.762 -0.138 0.000 1.472 390 H HN 0.115 nan 8.280 nan 0.000 0.571 391 R N 1.536 122.099 120.500 0.104 0.000 2.686 391 R HA 0.338 4.814 4.340 0.227 0.000 0.286 391 R C 0.275 176.582 176.300 0.012 0.000 0.969 391 R CA -0.953 55.152 56.100 0.009 0.000 0.898 391 R CB 2.142 32.428 30.300 -0.024 0.000 1.183 391 R HN 0.790 nan 8.270 nan 0.000 0.456 392 G N 0.738 109.509 108.800 -0.049 0.000 2.448 392 G HA2 0.404 4.500 3.960 0.227 0.000 0.309 392 G HA3 0.404 4.500 3.960 0.227 0.000 0.309 392 G C -0.541 174.314 174.900 -0.075 0.000 1.027 392 G CA -0.143 44.932 45.100 -0.042 0.000 1.104 392 G HN 0.529 nan 8.290 nan 0.000 0.428 393 C N 5.775 125.048 119.300 -0.045 0.000 3.178 393 C HA 0.602 5.198 4.460 0.227 0.000 0.428 393 C C -0.221 174.778 174.990 0.015 0.000 0.967 393 C CA -0.642 58.297 59.018 -0.132 0.000 1.205 393 C CB -0.029 27.434 27.740 -0.461 0.000 1.584 393 C HN 1.082 nan 8.230 nan 0.000 0.591 394 M N 3.235 122.773 119.600 -0.104 0.000 7.319 394 M HA -0.112 4.504 4.480 0.227 0.000 0.109 394 M C -0.066 176.170 176.300 -0.106 0.000 0.480 394 M CA 1.563 56.714 55.300 -0.249 0.000 1.311 394 M CB -2.163 30.227 32.600 -0.350 0.000 0.421 394 M HN 1.872 nan 8.290 nan 0.000 0.547 395 V N -2.967 116.872 119.914 -0.125 0.000 3.165 395 V HA 1.055 5.311 4.120 0.227 0.000 0.309 395 V C 0.286 176.600 176.094 0.366 0.000 1.267 395 V CA 0.638 63.009 62.300 0.117 0.000 1.067 395 V CB 1.202 33.076 31.823 0.085 0.000 1.082 395 V HN 2.666 nan 8.190 nan 0.000 0.451 396 G N 0.679 109.701 108.800 0.369 0.000 2.712 396 G HA2 -0.145 3.951 3.960 0.227 0.000 0.683 396 G HA3 -0.145 3.951 3.960 0.227 0.000 0.683 396 G C -0.408 174.735 174.900 0.404 0.000 1.320 396 G CA 0.105 45.487 45.100 0.471 0.000 0.847 396 G HN 1.690 nan 8.290 nan 0.000 0.553 397 N N -0.173 118.695 118.700 0.281 0.000 2.598 397 N HA 0.156 5.032 4.740 0.227 0.000 0.309 397 N C 0.912 176.390 175.510 -0.052 0.000 1.645 397 N CA 0.044 53.133 53.050 0.064 0.000 0.936 397 N CB -0.097 38.306 38.487 -0.139 0.000 1.323 397 N HN 0.477 nan 8.380 nan 0.000 0.497 398 N N -0.573 118.118 118.700 -0.015 0.000 2.461 398 N HA -0.096 4.780 4.740 0.227 0.000 0.188 398 N C 1.861 177.192 175.510 -0.297 0.000 1.134 398 N CA 0.362 53.259 53.050 -0.255 0.000 0.878 398 N CB 0.351 38.632 38.487 -0.343 0.000 0.972 398 N HN 0.304 nan 8.380 nan 0.000 0.456 399 S N 0.803 116.396 115.700 -0.178 0.000 2.380 399 S HA -0.271 4.335 4.470 0.227 0.000 0.229 399 S C 2.192 176.450 174.600 -0.569 0.000 1.043 399 S CA 1.102 59.028 58.200 -0.457 0.000 1.038 399 S CB -0.658 62.457 63.200 -0.141 0.000 0.872 399 S HN 0.368 nan 8.310 nan 0.000 0.456 400 A N 1.438 123.995 122.820 -0.438 0.000 1.948 400 A HA -0.096 4.361 4.320 0.227 0.000 0.220 400 A C 2.470 179.750 177.584 -0.507 0.000 1.177 400 A CA 2.140 53.891 52.037 -0.477 0.000 0.636 400 A CB -1.344 17.394 19.000 -0.437 0.000 0.815 400 A HN 0.627 nan 8.150 nan 0.000 0.449 401 S N -0.676 114.712 115.700 -0.520 0.000 2.371 401 S HA -0.090 4.517 4.470 0.227 0.000 0.224 401 S C 1.943 176.322 174.600 -0.367 0.000 1.029 401 S CA 1.121 59.059 58.200 -0.437 0.000 0.978 401 S CB -0.442 62.540 63.200 -0.363 0.000 0.833 401 S HN 0.398 nan 8.310 nan 0.000 0.466 402 I N 2.005 122.262 120.570 -0.522 0.000 2.069 402 I HA -0.208 4.098 4.170 0.227 0.000 0.237 402 I C 2.410 178.217 176.117 -0.518 0.000 1.053 402 I CA 1.473 62.376 61.300 -0.662 0.000 1.311 402 I CB -1.656 35.571 38.000 -1.287 0.000 1.030 402 I HN 0.353 nan 8.210 nan 0.000 0.398 403 L N 0.237 121.114 121.223 -0.578 0.000 1.990 403 L HA -0.238 4.238 4.340 0.227 0.000 0.213 403 L C 2.678 179.370 176.870 -0.296 0.000 1.072 403 L CA 1.273 55.843 54.840 -0.451 0.000 0.755 403 L CB -0.996 40.720 42.059 -0.572 0.000 0.889 403 L HN 0.057 nan 8.230 nan 0.000 0.432 404 V N -0.226 119.491 119.914 -0.328 0.000 2.343 404 V HA -0.303 3.954 4.120 0.227 0.000 0.247 404 V C 2.190 178.176 176.094 -0.180 0.000 1.051 404 V CA 2.130 64.269 62.300 -0.268 0.000 1.036 404 V CB -0.600 31.006 31.823 -0.361 0.000 0.654 404 V HN 0.487 nan 8.190 nan 0.000 0.451 405 D N 0.135 120.428 120.400 -0.179 0.000 2.144 405 D HA -0.106 4.671 4.640 0.227 0.000 0.200 405 D C 2.105 178.336 176.300 -0.114 0.000 0.978 405 D CA 1.361 55.286 54.000 -0.126 0.000 0.833 405 D CB -0.132 40.620 40.800 -0.079 0.000 0.961 405 D HN 0.353 nan 8.370 nan 0.000 0.470 406 A N -0.210 122.549 122.820 -0.101 0.000 1.849 406 A HA -0.238 4.218 4.320 0.227 0.000 0.217 406 A C 2.284 179.828 177.584 -0.067 0.000 1.202 406 A CA 1.839 53.835 52.037 -0.069 0.000 0.629 406 A CB -1.637 17.321 19.000 -0.069 0.000 0.834 406 A HN 0.493 nan 8.150 nan 0.000 0.447 407 Y N -0.167 120.042 120.300 -0.152 0.000 2.151 407 Y HA -0.252 4.434 4.550 0.227 0.000 0.284 407 Y C 2.356 178.173 175.900 -0.138 0.000 1.166 407 Y CA 2.350 60.369 58.100 -0.134 0.000 1.163 407 Y CB -0.169 38.200 38.460 -0.152 0.000 0.974 407 Y HN 0.235 nan 8.280 nan 0.000 0.511 408 M N -0.337 119.273 119.600 0.016 0.000 2.476 408 M HA -0.111 4.505 4.480 0.227 0.000 0.262 408 M C 1.424 177.619 176.300 -0.174 0.000 1.079 408 M CA 1.466 56.728 55.300 -0.063 0.000 1.104 408 M CB -0.600 31.938 32.600 -0.103 0.000 1.409 408 M HN 0.180 nan 8.290 nan 0.000 0.467 409 K N -0.555 119.713 120.400 -0.220 0.000 2.397 409 K HA 0.278 4.734 4.320 0.227 0.000 0.202 409 K C 0.698 177.204 176.600 -0.157 0.000 1.022 409 K CA 0.303 56.393 56.287 -0.329 0.000 1.141 409 K CB 0.374 32.563 32.500 -0.517 0.000 0.857 409 K HN 0.437 nan 8.250 nan 0.000 0.514 410 G N 0.489 109.190 108.800 -0.164 0.000 2.134 410 G HA2 -0.188 3.908 3.960 0.227 0.000 0.209 410 G HA3 -0.188 3.908 3.960 0.227 0.000 0.209 410 G C -0.244 174.595 174.900 -0.102 0.000 0.993 410 G CA -0.267 44.758 45.100 -0.125 0.000 0.669 410 G HN 0.097 nan 8.290 nan 0.000 0.519 411 V N 1.244 121.086 119.914 -0.120 0.000 2.275 411 V HA 0.475 4.732 4.120 0.227 0.000 0.272 411 V C 0.229 176.253 176.094 -0.117 0.000 1.028 411 V CA -0.393 61.862 62.300 -0.075 0.000 0.810 411 V CB 1.116 32.925 31.823 -0.024 0.000 1.043 411 V HN 0.307 nan 8.190 nan 0.000 0.453 412 K N 3.633 123.954 120.400 -0.132 0.000 2.358 412 K HA 0.604 5.060 4.320 0.227 0.000 0.260 412 K C -0.261 176.343 176.600 0.006 0.000 0.956 412 K CA -0.722 55.488 56.287 -0.128 0.000 0.834 412 K CB 2.497 34.811 32.500 -0.311 0.000 1.102 412 K HN 0.544 nan 8.250 nan 0.000 0.431 413 V N -0.400 119.562 119.914 0.081 0.000 2.963 413 V HA 0.022 4.279 4.120 0.227 0.000 0.306 413 V C 0.683 176.832 176.094 0.091 0.000 1.077 413 V CA -0.084 62.268 62.300 0.086 0.000 1.124 413 V CB 0.746 32.629 31.823 0.100 0.000 0.987 413 V HN 0.675 nan 8.190 nan 0.000 0.487 414 D N 0.875 121.324 120.400 0.083 0.000 2.117 414 D HA -0.079 4.697 4.640 0.227 0.000 0.198 414 D C 0.833 177.176 176.300 0.073 0.000 0.982 414 D CA 1.919 55.962 54.000 0.071 0.000 0.828 414 D CB -0.085 40.755 40.800 0.067 0.000 0.967 414 D HN 0.889 nan 8.370 nan 0.000 0.464 415 D N 0.489 120.938 120.400 0.081 0.000 2.524 415 D HA 0.086 4.862 4.640 0.227 0.000 0.222 415 D C 1.412 177.758 176.300 0.077 0.000 1.142 415 D CA -0.217 53.827 54.000 0.073 0.000 0.973 415 D CB -0.087 40.757 40.800 0.074 0.000 1.025 415 D HN 0.051 nan 8.370 nan 0.000 0.519 416 I N 1.549 122.160 120.570 0.068 0.000 2.394 416 I HA -0.172 4.135 4.170 0.227 0.000 0.251 416 I C 2.213 178.342 176.117 0.021 0.000 1.136 416 I CA 0.471 61.798 61.300 0.044 0.000 1.425 416 I CB -0.206 37.819 38.000 0.042 0.000 1.079 416 I HN 0.277 nan 8.210 nan 0.000 0.425 417 K N 1.459 121.875 120.400 0.027 0.000 2.063 417 K HA -0.159 4.298 4.320 0.227 0.000 0.208 417 K C 2.052 178.686 176.600 0.057 0.000 1.048 417 K CA 1.962 58.267 56.287 0.030 0.000 0.928 417 K CB -0.025 32.488 32.500 0.021 0.000 0.713 417 K HN 0.189 nan 8.250 nan 0.000 0.442 418 T N 1.935 116.527 114.554 0.064 0.000 2.812 418 T HA -0.102 4.384 4.350 0.227 0.000 0.264 418 T C 1.550 176.276 174.700 0.042 0.000 1.042 418 T CA 0.873 63.024 62.100 0.085 0.000 1.140 418 T CB -0.201 68.743 68.868 0.127 0.000 0.870 418 T HN 0.126 nan 8.240 nan 0.000 0.445 419 L N 0.903 122.175 121.223 0.081 0.000 1.978 419 L HA -0.149 4.328 4.340 0.227 0.000 0.218 419 L C 2.064 178.935 176.870 0.001 0.000 1.075 419 L CA 1.987 56.881 54.840 0.090 0.000 0.767 419 L CB -1.474 40.602 42.059 0.028 0.000 0.890 419 L HN 0.320 nan 8.230 nan 0.000 0.434 420 Y N 0.639 120.857 120.300 -0.136 0.000 2.181 420 Y HA -0.214 4.471 4.550 0.225 0.000 0.288 420 Y C 2.556 178.358 175.900 -0.163 0.000 1.146 420 Y CA 2.137 60.130 58.100 -0.179 0.000 1.164 420 Y CB -0.085 38.264 38.460 -0.185 0.000 0.982 420 Y HN 0.437 nan 8.280 nan 0.000 0.515 421 E N -0.836 119.313 120.200 -0.085 0.000 2.077 421 E HA -0.180 4.307 4.350 0.227 0.000 0.193 421 E C 2.408 178.794 176.600 -0.356 0.000 0.989 421 E CA 0.959 57.271 56.400 -0.147 0.000 0.800 421 E CB -0.523 29.161 29.700 -0.027 0.000 0.746 421 E HN 0.626 nan 8.360 nan 0.000 0.452 422 G N 1.259 109.673 108.800 -0.643 0.000 2.418 422 G HA2 -0.233 3.864 3.960 0.227 0.000 0.217 422 G HA3 -0.233 3.864 3.960 0.227 0.000 0.217 422 G C 1.584 176.192 174.900 -0.487 0.000 1.158 422 G CA 0.336 44.665 45.100 -1.285 0.000 0.771 422 G HN 0.089 nan 8.290 nan 0.000 0.545 423 L N 0.321 121.389 121.223 -0.258 0.000 2.046 423 L HA -0.080 4.396 4.340 0.227 0.000 0.208 423 L C 2.796 179.440 176.870 -0.376 0.000 1.077 423 L CA 0.596 55.262 54.840 -0.290 0.000 0.747 423 L CB -0.250 41.527 42.059 -0.470 0.000 0.896 423 L HN 0.146 nan 8.230 nan 0.000 0.432 424 I N -0.992 119.303 120.570 -0.458 0.000 2.252 424 I HA -0.309 3.997 4.170 0.227 0.000 0.245 424 I C 2.483 178.486 176.117 -0.191 0.000 1.102 424 I CA 1.428 62.537 61.300 -0.319 0.000 1.385 424 I CB -1.513 36.319 38.000 -0.280 0.000 1.064 424 I HN 0.426 nan 8.210 nan 0.000 0.414 425 H N 1.381 120.271 119.070 -0.300 0.000 2.319 425 H HA -0.182 4.510 4.556 0.226 0.000 0.297 425 H C 2.154 177.316 175.328 -0.276 0.000 1.097 425 H CA 2.077 57.950 56.048 -0.292 0.000 1.285 425 H CB -0.051 29.505 29.762 -0.343 0.000 1.368 425 H HN 0.321 nan 8.280 nan 0.000 0.495 426 G N -0.437 108.239 108.800 -0.206 0.000 2.448 426 G HA2 -0.271 3.826 3.960 0.227 0.000 0.219 426 G HA3 -0.271 3.826 3.960 0.227 0.000 0.219 426 G C 1.806 176.569 174.900 -0.229 0.000 1.127 426 G CA 1.400 46.419 45.100 -0.134 0.000 0.766 426 G HN 0.623 nan 8.290 nan 0.000 0.552 427 T N -0.905 113.512 114.554 -0.229 0.000 3.072 427 T HA 0.054 4.540 4.350 0.227 0.000 0.266 427 T C 1.312 175.878 174.700 -0.223 0.000 1.127 427 T CA 1.392 63.385 62.100 -0.179 0.000 1.107 427 T CB -0.107 68.763 68.868 0.003 0.000 0.910 427 T HN 0.637 nan 8.240 nan 0.000 0.513 428 E N -0.091 119.854 120.200 -0.426 0.000 3.085 428 E HA 0.292 4.778 4.350 0.227 0.000 0.179 428 E C -0.644 175.225 176.600 -1.217 0.000 0.951 428 E CA -0.828 55.132 56.400 -0.733 0.000 1.326 428 E CB 0.280 29.816 29.700 -0.273 0.000 1.043 428 E HN 0.255 nan 8.360 nan 0.000 0.457 429 N N 0.528 118.644 118.700 -0.974 0.000 2.396 429 N HA 0.373 5.250 4.740 0.227 0.000 0.275 429 N C -1.910 173.512 175.510 -0.146 0.000 1.218 429 N CA -0.610 52.071 53.050 -0.616 0.000 0.812 429 N CB 2.849 41.024 38.487 -0.520 0.000 1.592 429 N HN 0.010 nan 8.380 nan 0.000 0.480 430 V N 0.707 120.653 119.914 0.053 0.000 2.735 430 V HA 0.280 4.537 4.120 0.227 0.000 0.310 430 V C -0.611 175.437 176.094 -0.077 0.000 1.061 430 V CA -0.539 61.780 62.300 0.032 0.000 0.913 430 V CB 1.680 33.572 31.823 0.116 0.000 1.005 430 V HN 0.805 nan 8.190 nan 0.000 0.428 431 H N 7.999 126.708 119.070 -0.601 0.000 2.928 431 H HA 0.255 4.947 4.556 0.228 0.000 0.338 431 H C -1.603 173.616 175.328 -0.182 0.000 1.047 431 H CA -0.514 55.158 56.048 -0.627 0.000 1.435 431 H CB 1.593 30.886 29.762 -0.781 0.000 1.428 431 H HN 0.491 nan 8.280 nan 0.000 0.590 432 P HA -0.104 nan 4.420 nan 0.000 0.233 432 P C 0.193 177.556 177.300 0.105 0.000 1.167 432 P CA 0.903 64.010 63.100 0.012 0.000 0.770 432 P CB 0.499 32.184 31.700 -0.024 0.000 0.837 433 E N -0.802 119.568 120.200 0.284 0.000 2.485 433 E HA 0.111 4.597 4.350 0.227 0.000 0.213 433 E C 0.163 176.819 176.600 0.093 0.000 0.923 433 E CA 0.217 56.724 56.400 0.179 0.000 1.054 433 E CB 0.322 30.110 29.700 0.147 0.000 1.077 433 E HN 0.017 nan 8.360 nan 0.000 0.509 434 V N 3.556 123.503 119.914 0.055 0.000 2.293 434 V HA 0.092 4.348 4.120 0.227 0.000 0.275 434 V C 1.314 177.365 176.094 -0.072 0.000 1.021 434 V CA 0.111 62.342 62.300 -0.114 0.000 0.815 434 V CB 1.011 32.630 31.823 -0.340 0.000 1.025 434 V HN 0.247 nan 8.190 nan 0.000 0.448 435 S N 2.452 118.141 115.700 -0.019 0.000 2.507 435 S HA -0.111 4.495 4.470 0.227 0.000 0.235 435 S C 1.706 176.315 174.600 0.015 0.000 0.988 435 S CA 1.006 59.211 58.200 0.008 0.000 0.944 435 S CB -0.161 63.056 63.200 0.028 0.000 0.762 435 S HN 0.881 nan 8.310 nan 0.000 0.526 436 S N -0.029 115.672 115.700 0.001 0.000 2.575 436 S HA 0.194 4.800 4.470 0.227 0.000 0.215 436 S C 0.363 174.982 174.600 0.032 0.000 0.966 436 S CA -0.414 57.816 58.200 0.050 0.000 0.911 436 S CB -0.330 62.917 63.200 0.079 0.000 0.780 436 S HN 0.372 nan 8.310 nan 0.000 0.514 437 T N 2.496 116.996 114.554 -0.091 0.000 2.794 437 T HA 0.660 5.147 4.350 0.227 0.000 0.280 437 T C 0.694 175.253 174.700 -0.236 0.000 0.987 437 T CA 0.242 62.220 62.100 -0.204 0.000 0.993 437 T CB 0.913 69.471 68.868 -0.517 0.000 0.939 437 T HN 0.793 nan 8.240 nan 0.000 0.449 438 G N 3.057 111.835 108.800 -0.036 0.000 2.645 438 G HA2 -0.230 3.867 3.960 0.227 0.000 0.239 438 G HA3 -0.230 3.867 3.960 0.227 0.000 0.239 438 G C -0.608 174.300 174.900 0.012 0.000 1.331 438 G CA -0.693 44.448 45.100 0.068 0.000 0.890 438 G HN 0.783 nan 8.290 nan 0.000 0.572 439 R N -0.340 120.142 120.500 -0.030 0.000 2.423 439 R HA 0.371 4.847 4.340 0.227 0.000 0.293 439 R C 0.194 176.629 176.300 0.225 0.000 1.196 439 R CA -0.847 55.241 56.100 -0.020 0.000 1.262 439 R CB 0.807 30.867 30.300 -0.401 0.000 1.116 439 R HN 0.515 nan 8.270 nan 0.000 0.566 440 L N 1.811 123.185 121.223 0.252 0.000 2.615 440 L HA -0.004 4.473 4.340 0.227 0.000 0.284 440 L C 1.195 178.269 176.870 0.340 0.000 1.237 440 L CA 1.894 56.889 54.840 0.258 0.000 0.905 440 L CB 0.320 42.482 42.059 0.172 0.000 1.149 440 L HN 0.914 nan 8.230 nan 0.000 0.499 441 G N 3.263 112.248 108.800 0.308 0.000 2.141 441 G HA2 -0.388 3.709 3.960 0.227 0.000 0.242 441 G HA3 -0.388 3.709 3.960 0.227 0.000 0.242 441 G C 0.503 175.616 174.900 0.355 0.000 0.982 441 G CA 0.691 45.984 45.100 0.322 0.000 0.662 441 G HN 1.141 nan 8.290 nan 0.000 0.527 442 Y N 0.478 120.907 120.300 0.215 0.000 2.224 442 Y HA 0.115 4.802 4.550 0.228 0.000 0.289 442 Y C 2.168 178.159 175.900 0.153 0.000 1.146 442 Y CA 1.855 60.054 58.100 0.166 0.000 1.182 442 Y CB -0.604 37.876 38.460 0.032 0.000 0.983 442 Y HN 0.334 nan 8.280 nan 0.000 0.524 443 E N 0.464 120.203 120.200 -0.768 0.000 2.049 443 E HA -0.213 4.273 4.350 0.227 0.000 0.198 443 E C 1.884 178.302 176.600 -0.304 0.000 1.007 443 E CA 2.213 58.241 56.400 -0.620 0.000 0.809 443 E CB -0.919 28.335 29.700 -0.743 0.000 0.749 443 E HN 0.671 nan 8.360 nan 0.000 0.450 444 Y N -0.768 119.452 120.300 -0.134 0.000 2.145 444 Y HA -0.240 4.446 4.550 0.227 0.000 0.286 444 Y C 2.371 178.233 175.900 -0.063 0.000 1.145 444 Y CA 1.664 59.699 58.100 -0.109 0.000 1.148 444 Y CB -0.746 37.657 38.460 -0.094 0.000 0.981 444 Y HN 0.148 nan 8.280 nan 0.000 0.507 445 Y N 0.915 121.294 120.300 0.132 0.000 2.181 445 Y HA -0.243 4.444 4.550 0.228 0.000 0.288 445 Y C 1.953 177.904 175.900 0.084 0.000 1.146 445 Y CA 1.893 60.075 58.100 0.138 0.000 1.164 445 Y CB -0.697 37.950 38.460 0.311 0.000 0.982 445 Y HN 0.157 nan 8.280 nan 0.000 0.515 446 N N -0.328 118.488 118.700 0.193 0.000 2.309 446 N HA -0.157 4.720 4.740 0.227 0.000 0.182 446 N C 1.717 177.190 175.510 -0.062 0.000 1.018 446 N CA 0.962 54.052 53.050 0.066 0.000 0.876 446 N CB -0.062 38.506 38.487 0.136 0.000 0.972 446 N HN 0.340 nan 8.380 nan 0.000 0.434 447 K N 0.750 121.100 120.400 -0.084 0.000 2.078 447 K HA 0.126 4.582 4.320 0.227 0.000 0.203 447 K C 1.634 178.146 176.600 -0.147 0.000 1.043 447 K CA 0.470 56.687 56.287 -0.117 0.000 0.960 447 K CB 0.267 32.682 32.500 -0.142 0.000 0.761 447 K HN 0.037 nan 8.250 nan 0.000 0.448 448 L N -0.879 120.223 121.223 -0.203 0.000 2.477 448 L HA 0.236 4.712 4.340 0.227 0.000 0.220 448 L C 1.049 177.762 176.870 -0.262 0.000 1.106 448 L CA 0.489 55.150 54.840 -0.297 0.000 0.851 448 L CB 0.379 42.087 42.059 -0.585 0.000 0.994 448 L HN 0.543 nan 8.230 nan 0.000 0.462 449 G N 0.321 108.950 108.800 -0.285 0.000 2.143 449 G HA2 -0.310 3.787 3.960 0.227 0.000 0.249 449 G HA3 -0.310 3.787 3.960 0.227 0.000 0.249 449 G C -0.027 174.835 174.900 -0.063 0.000 0.981 449 G CA 0.330 45.266 45.100 -0.273 0.000 0.665 449 G HN 0.510 nan 8.290 nan 0.000 0.528 450 Y N -3.727 116.530 120.300 -0.072 0.000 2.620 450 Y HA 0.573 5.259 4.550 0.227 0.000 0.331 450 Y C -0.531 175.489 175.900 0.201 0.000 1.173 450 Y CA -1.647 56.537 58.100 0.141 0.000 1.076 450 Y CB 0.707 39.209 38.460 0.069 0.000 1.336 450 Y HN 0.396 nan 8.280 nan 0.000 0.459 451 V N 4.121 124.246 119.914 0.352 0.000 2.405 451 V HA 0.322 4.579 4.120 0.227 0.000 0.264 451 V C -2.072 174.106 176.094 0.140 0.000 1.048 451 V CA -1.617 60.769 62.300 0.143 0.000 0.966 451 V CB 0.518 32.389 31.823 0.081 0.000 1.015 451 V HN 0.597 nan 8.190 nan 0.000 0.477 452 P HA -0.006 nan 4.420 nan 0.000 0.269 452 P C 0.183 177.495 177.300 0.021 0.000 1.217 452 P CA 0.054 63.221 63.100 0.112 0.000 0.783 452 P CB 0.524 32.170 31.700 -0.089 0.000 0.898 453 Y N 1.477 121.751 120.300 -0.042 0.000 2.516 453 Y HA -0.055 4.632 4.550 0.227 0.000 0.291 453 Y C 0.686 176.530 175.900 -0.093 0.000 1.131 453 Y CA 1.056 59.100 58.100 -0.093 0.000 1.281 453 Y CB 0.098 38.509 38.460 -0.082 0.000 1.013 453 Y HN 0.252 nan 8.280 nan 0.000 0.554 454 D N -0.055 120.327 120.400 -0.030 0.000 2.892 454 D HA 0.101 4.877 4.640 0.227 0.000 0.291 454 D C 0.123 176.352 176.300 -0.118 0.000 1.341 454 D CA 0.199 54.160 54.000 -0.066 0.000 0.844 454 D CB -0.346 40.484 40.800 0.050 0.000 1.093 454 D HN 0.212 nan 8.370 nan 0.000 0.480 455 V N -3.600 116.193 119.914 -0.202 0.000 3.111 455 V HA 0.341 4.597 4.120 0.227 0.000 0.343 455 V C 0.548 176.537 176.094 -0.176 0.000 1.417 455 V CA -0.924 61.244 62.300 -0.220 0.000 1.142 455 V CB -0.461 31.067 31.823 -0.492 0.000 1.114 455 V HN 0.142 nan 8.190 nan 0.000 0.520 456 K N 0.848 121.155 120.400 -0.156 0.000 3.129 456 K HA -0.163 4.294 4.320 0.227 0.000 0.273 456 K C -0.118 176.417 176.600 -0.109 0.000 1.123 456 K CA 1.102 57.321 56.287 -0.114 0.000 0.800 456 K CB -1.387 31.076 32.500 -0.062 0.000 1.238 456 K HN 0.661 nan 8.250 nan 0.000 0.492 457 I N 2.041 122.517 120.570 -0.157 0.000 2.464 457 I HA 0.124 4.430 4.170 0.227 0.000 0.277 457 I C 0.115 176.142 176.117 -0.149 0.000 1.040 457 I CA -0.912 60.315 61.300 -0.121 0.000 1.153 457 I CB 0.946 38.879 38.000 -0.112 0.000 1.274 457 I HN 0.009 nan 8.210 nan 0.000 0.469 458 N N 4.633 123.264 118.700 -0.116 0.000 2.416 458 N HA 0.010 4.886 4.740 0.227 0.000 0.246 458 N C 0.447 175.857 175.510 -0.166 0.000 1.260 458 N CA 0.368 53.334 53.050 -0.139 0.000 0.897 458 N CB 0.226 38.706 38.487 -0.012 0.000 1.110 458 N HN 0.480 nan 8.380 nan 0.000 0.439 459 E N -1.164 118.883 120.200 -0.256 0.000 2.791 459 E HA -0.290 4.197 4.350 0.227 0.000 0.271 459 E C 0.462 176.906 176.600 -0.260 0.000 1.044 459 E CA 0.587 56.831 56.400 -0.260 0.000 0.814 459 E CB -1.354 28.255 29.700 -0.152 0.000 1.400 459 E HN 0.695 nan 8.360 nan 0.000 0.423 460 N N 0.073 118.619 118.700 -0.256 0.000 2.149 460 N HA -0.229 4.647 4.740 0.227 0.000 0.188 460 N C 1.862 177.264 175.510 -0.180 0.000 1.019 460 N CA 1.471 54.406 53.050 -0.191 0.000 0.857 460 N CB -0.170 38.227 38.487 -0.150 0.000 0.997 460 N HN 0.281 nan 8.380 nan 0.000 0.426 461 A N 1.519 124.169 122.820 -0.283 0.000 1.898 461 A HA 0.208 4.664 4.320 0.227 0.000 0.216 461 A C 2.587 180.050 177.584 -0.203 0.000 1.181 461 A CA 1.590 53.480 52.037 -0.246 0.000 0.620 461 A CB -0.854 17.849 19.000 -0.494 0.000 0.819 461 A HN 0.444 nan 8.150 nan 0.000 0.442 462 A N 0.056 122.657 122.820 -0.365 0.000 1.902 462 A HA -0.185 4.271 4.320 0.227 0.000 0.217 462 A C 2.240 179.727 177.584 -0.161 0.000 1.181 462 A CA 1.615 53.363 52.037 -0.482 0.000 0.623 462 A CB -0.486 18.094 19.000 -0.700 0.000 0.818 462 A HN 0.555 nan 8.150 nan 0.000 0.443 463 R N -0.922 119.429 120.500 -0.248 0.000 2.081 463 R HA -0.083 4.393 4.340 0.227 0.000 0.235 463 R C 2.252 178.126 176.300 -0.709 0.000 1.131 463 R CA 1.792 57.574 56.100 -0.531 0.000 0.960 463 R CB -0.775 29.129 30.300 -0.661 0.000 0.856 463 R HN 0.542 nan 8.270 nan 0.000 0.436 464 T N 1.613 115.996 114.554 -0.286 0.000 2.746 464 T HA -0.086 4.401 4.350 0.227 0.000 0.267 464 T C 1.901 176.749 174.700 0.246 0.000 1.039 464 T CA 1.077 63.213 62.100 0.061 0.000 1.142 464 T CB -0.139 68.888 68.868 0.265 0.000 0.866 464 T HN 0.118 nan 8.240 nan 0.000 0.444 465 L N 0.540 121.898 121.223 0.226 0.000 2.056 465 L HA -0.052 4.424 4.340 0.227 0.000 0.207 465 L C 2.752 179.874 176.870 0.420 0.000 1.078 465 L CA 1.353 56.409 54.840 0.360 0.000 0.749 465 L CB -0.520 41.753 42.059 0.357 0.000 0.901 465 L HN 0.296 nan 8.230 nan 0.000 0.433 466 E N -0.818 119.601 120.200 0.365 0.000 2.072 466 E HA -0.201 4.286 4.350 0.227 0.000 0.191 466 E C 2.216 179.050 176.600 0.390 0.000 0.985 466 E CA 0.958 57.606 56.400 0.414 0.000 0.801 466 E CB -0.117 29.824 29.700 0.401 0.000 0.750 466 E HN 0.363 nan 8.360 nan 0.000 0.452 467 Y N 0.907 121.272 120.300 0.108 0.000 2.139 467 Y HA -0.256 4.429 4.550 0.226 0.000 0.282 467 Y C 2.456 178.431 175.900 0.126 0.000 1.179 467 Y CA 0.897 58.962 58.100 -0.057 0.000 1.161 467 Y CB -1.205 36.946 38.460 -0.515 0.000 0.970 467 Y HN 0.053 nan 8.280 nan 0.000 0.511 468 A N -0.682 122.444 122.820 0.510 0.000 1.877 468 A HA -0.259 4.197 4.320 0.227 0.000 0.216 468 A C 2.189 179.936 177.584 0.272 0.000 1.186 468 A CA 1.713 54.061 52.037 0.519 0.000 0.620 468 A CB -1.437 17.954 19.000 0.651 0.000 0.822 468 A HN 0.527 nan 8.150 nan 0.000 0.443 469 Y N 1.577 121.949 120.300 0.120 0.000 2.181 469 Y HA -0.202 4.482 4.550 0.223 0.000 0.288 469 Y C 1.751 177.596 175.900 -0.092 0.000 1.146 469 Y CA 1.806 59.804 58.100 -0.171 0.000 1.164 469 Y CB -0.423 38.127 38.460 0.149 0.000 0.982 469 Y HN 0.369 nan 8.280 nan 0.000 0.515 470 D N 0.400 120.619 120.400 -0.301 0.000 2.133 470 D HA -0.206 4.570 4.640 0.227 0.000 0.195 470 D C 1.731 177.842 176.300 -0.316 0.000 0.997 470 D CA 1.773 55.518 54.000 -0.425 0.000 0.840 470 D CB -0.467 40.193 40.800 -0.233 0.000 0.947 470 D HN 0.466 nan 8.370 nan 0.000 0.452 471 D N -0.438 119.910 120.400 -0.087 0.000 2.178 471 D HA -0.136 4.640 4.640 0.227 0.000 0.201 471 D C 1.874 178.164 176.300 -0.018 0.000 0.980 471 D CA 0.418 54.439 54.000 0.035 0.000 0.842 471 D CB -0.403 40.588 40.800 0.318 0.000 0.948 471 D HN 0.357 nan 8.370 nan 0.000 0.472 472 W N 1.321 122.442 121.300 -0.298 0.000 2.363 472 W HA -0.243 4.550 4.660 0.222 0.000 0.296 472 W C 2.185 178.553 176.519 -0.253 0.000 1.212 472 W CA 0.913 58.050 57.345 -0.346 0.000 1.260 472 W CB -0.410 28.698 29.460 -0.586 0.000 1.131 472 W HN -0.048 nan 8.180 nan 0.000 0.530 473 C N 0.242 119.294 119.300 -0.413 0.000 2.462 473 C HA -0.176 4.420 4.460 0.227 0.000 0.278 473 C C 2.733 177.363 174.990 -0.600 0.000 1.253 473 C CA 1.288 59.929 59.018 -0.628 0.000 1.713 473 C CB -1.427 25.959 27.740 -0.590 0.000 2.049 473 C HN 0.347 nan 8.230 nan 0.000 0.477 474 I N 0.180 120.429 120.570 -0.535 0.000 2.151 474 I HA -0.308 3.999 4.170 0.227 0.000 0.243 474 I C 2.482 178.319 176.117 -0.466 0.000 1.080 474 I CA 2.248 63.181 61.300 -0.612 0.000 1.339 474 I CB -0.758 36.659 38.000 -0.972 0.000 1.039 474 I HN 0.470 nan 8.210 nan 0.000 0.409 475 Y N 2.093 122.135 120.300 -0.429 0.000 2.081 475 Y HA -0.309 4.377 4.550 0.227 0.000 0.280 475 Y C 2.787 178.475 175.900 -0.354 0.000 1.163 475 Y CA 1.610 59.568 58.100 -0.237 0.000 1.135 475 Y CB -0.284 38.066 38.460 -0.183 0.000 0.970 475 Y HN -0.041 nan 8.280 nan 0.000 0.498 476 R N 0.064 120.090 120.500 -0.790 0.000 2.117 476 R HA -0.190 4.286 4.340 0.227 0.000 0.243 476 R C 2.204 178.143 176.300 -0.603 0.000 1.143 476 R CA 1.648 57.229 56.100 -0.865 0.000 0.968 476 R CB -1.077 28.614 30.300 -1.016 0.000 0.863 476 R HN 0.452 nan 8.270 nan 0.000 0.444 477 L N 0.360 121.284 121.223 -0.498 0.000 2.162 477 L HA 0.085 4.562 4.340 0.227 0.000 0.205 477 L C 2.247 178.908 176.870 -0.350 0.000 1.086 477 L CA 1.546 56.147 54.840 -0.398 0.000 0.778 477 L CB -0.636 41.204 42.059 -0.365 0.000 0.928 477 L HN 0.091 nan 8.230 nan 0.000 0.446 478 A N -0.350 122.310 122.820 -0.266 0.000 1.873 478 A HA -0.306 4.150 4.320 0.227 0.000 0.218 478 A C 2.452 179.863 177.584 -0.288 0.000 1.193 478 A CA 2.220 54.121 52.037 -0.227 0.000 0.629 478 A CB -0.674 18.330 19.000 0.007 0.000 0.826 478 A HN 0.450 nan 8.150 nan 0.000 0.447 479 K N -0.603 119.573 120.400 -0.374 0.000 2.063 479 K HA -0.244 4.212 4.320 0.227 0.000 0.208 479 K C 2.105 178.550 176.600 -0.258 0.000 1.048 479 K CA 1.868 57.955 56.287 -0.335 0.000 0.928 479 K CB -0.123 32.062 32.500 -0.525 0.000 0.713 479 K HN 0.509 nan 8.250 nan 0.000 0.442 480 E N 0.477 120.506 120.200 -0.286 0.000 2.077 480 E HA -0.160 4.327 4.350 0.227 0.000 0.193 480 E C 1.238 177.733 176.600 -0.175 0.000 0.989 480 E CA 1.094 57.374 56.400 -0.199 0.000 0.800 480 E CB -0.064 29.521 29.700 -0.191 0.000 0.746 480 E HN 0.160 nan 8.360 nan 0.000 0.452 481 L N 0.856 121.926 121.223 -0.254 0.000 2.645 481 L HA 0.182 4.658 4.340 0.227 0.000 0.235 481 L C 0.006 176.747 176.870 -0.215 0.000 1.150 481 L CA 0.435 55.122 54.840 -0.255 0.000 0.911 481 L CB -0.871 40.948 42.059 -0.400 0.000 1.077 481 L HN 0.053 nan 8.230 nan 0.000 0.438 482 K N 0.140 120.435 120.400 -0.175 0.000 3.177 482 K HA -0.220 4.236 4.320 0.227 0.000 0.266 482 K C 0.198 176.706 176.600 -0.154 0.000 0.937 482 K CA 0.413 56.619 56.287 -0.135 0.000 0.702 482 K CB -1.045 31.399 32.500 -0.093 0.000 1.365 482 K HN 0.129 nan 8.250 nan 0.000 0.466 483 R N -0.257 120.119 120.500 -0.207 0.000 2.863 483 R HA 0.150 4.627 4.340 0.227 0.000 0.273 483 R C -1.933 174.316 176.300 -0.084 0.000 1.057 483 R CA -1.861 54.124 56.100 -0.192 0.000 1.191 483 R CB -0.559 29.589 30.300 -0.253 0.000 1.104 483 R HN 0.006 nan 8.270 nan 0.000 0.519 484 P HA -0.007 nan 4.420 nan 0.000 0.265 484 P C 0.405 177.714 177.300 0.015 0.000 1.187 484 P CA 0.066 63.159 63.100 -0.011 0.000 0.766 484 P CB 0.493 32.195 31.700 0.004 0.000 0.820 485 K N 3.443 123.853 120.400 0.017 0.000 2.160 485 K HA -0.203 4.254 4.320 0.227 0.000 0.206 485 K C 1.577 178.208 176.600 0.053 0.000 1.047 485 K CA 1.870 58.180 56.287 0.038 0.000 0.930 485 K CB -0.356 32.163 32.500 0.031 0.000 0.720 485 K HN 0.602 nan 8.250 nan 0.000 0.450 486 K N 0.650 121.072 120.400 0.036 0.000 2.228 486 K HA -0.019 4.438 4.320 0.227 0.000 0.202 486 K C 1.710 178.327 176.600 0.029 0.000 1.051 486 K CA 0.974 57.277 56.287 0.027 0.000 0.960 486 K CB 0.043 32.548 32.500 0.008 0.000 0.743 486 K HN 0.072 nan 8.250 nan 0.000 0.458 487 E N 1.188 121.427 120.200 0.067 0.000 2.028 487 E HA -0.085 4.402 4.350 0.227 0.000 0.191 487 E C 1.989 178.725 176.600 0.227 0.000 0.988 487 E CA 1.373 57.852 56.400 0.131 0.000 0.799 487 E CB -0.133 29.708 29.700 0.235 0.000 0.755 487 E HN 0.291 nan 8.360 nan 0.000 0.447 488 I N 1.040 121.738 120.570 0.214 0.000 2.248 488 I HA -0.310 3.996 4.170 0.227 0.000 0.248 488 I C 2.326 178.641 176.117 0.330 0.000 1.107 488 I CA 0.904 62.371 61.300 0.279 0.000 1.373 488 I CB -0.218 37.880 38.000 0.162 0.000 1.055 488 I HN 0.036 nan 8.210 nan 0.000 0.418 489 S N 0.640 116.451 115.700 0.185 0.000 2.368 489 S HA -0.137 4.469 4.470 0.227 0.000 0.224 489 S C 1.880 176.523 174.600 0.073 0.000 1.029 489 S CA 0.955 59.236 58.200 0.135 0.000 0.988 489 S CB -0.356 62.886 63.200 0.071 0.000 0.838 489 S HN 0.285 nan 8.310 nan 0.000 0.462 490 L N 1.191 122.393 121.223 -0.034 0.000 1.989 490 L HA -0.064 4.413 4.340 0.227 0.000 0.211 490 L C 1.800 178.535 176.870 -0.225 0.000 1.071 490 L CA 1.915 56.624 54.840 -0.217 0.000 0.749 490 L CB -0.883 40.909 42.059 -0.446 0.000 0.890 490 L HN 0.219 nan 8.230 nan 0.000 0.431 491 F N -0.301 119.723 119.950 0.124 0.000 2.234 491 F HA -0.028 4.637 4.527 0.231 0.000 0.299 491 F C 2.488 178.348 175.800 0.100 0.000 1.087 491 F CA 0.916 58.990 58.000 0.123 0.000 1.340 491 F CB -1.407 37.667 39.000 0.123 0.000 1.031 491 F HN 0.180 nan 8.300 nan 0.000 0.500 492 A N 0.108 123.074 122.820 0.244 0.000 1.908 492 A HA -0.260 4.197 4.320 0.227 0.000 0.218 492 A C 2.333 180.053 177.584 0.228 0.000 1.181 492 A CA 2.042 54.133 52.037 0.091 0.000 0.627 492 A CB -0.721 18.359 19.000 0.133 0.000 0.818 492 A HN 0.361 nan 8.150 nan 0.000 0.445 493 K N -0.683 119.805 120.400 0.146 0.000 2.103 493 K HA -0.067 4.390 4.320 0.227 0.000 0.204 493 K C 2.260 178.932 176.600 0.119 0.000 1.052 493 K CA 0.948 57.300 56.287 0.108 0.000 0.945 493 K CB -0.161 32.358 32.500 0.031 0.000 0.722 493 K HN 0.415 nan 8.250 nan 0.000 0.443 494 R N 0.109 120.683 120.500 0.123 0.000 2.096 494 R HA -0.070 4.406 4.340 0.227 0.000 0.235 494 R C 2.247 178.723 176.300 0.292 0.000 1.127 494 R CA 1.152 57.355 56.100 0.171 0.000 0.968 494 R CB -0.307 30.132 30.300 0.232 0.000 0.861 494 R HN 0.227 nan 8.270 nan 0.000 0.440 495 A N 0.467 123.476 122.820 0.314 0.000 2.131 495 A HA -0.132 4.325 4.320 0.227 0.000 0.220 495 A C 1.674 179.623 177.584 0.608 0.000 1.158 495 A CA 1.208 53.501 52.037 0.426 0.000 0.665 495 A CB -0.126 19.021 19.000 0.246 0.000 0.795 495 A HN 0.129 nan 8.150 nan 0.000 0.460 496 M N 0.008 119.824 119.600 0.360 0.000 2.494 496 M HA 0.118 4.735 4.480 0.227 0.000 0.232 496 M C 0.871 177.122 176.300 -0.082 0.000 1.137 496 M CA -0.010 55.355 55.300 0.107 0.000 1.012 496 M CB -1.101 31.529 32.600 0.050 0.000 1.567 496 M HN 0.303 nan 8.290 nan 0.000 0.486 497 N N 0.737 119.518 118.700 0.135 0.000 2.289 497 N HA -0.179 4.697 4.740 0.227 0.000 0.184 497 N C 1.603 177.201 175.510 0.147 0.000 1.016 497 N CA 1.125 54.242 53.050 0.111 0.000 0.872 497 N CB -0.334 38.237 38.487 0.140 0.000 0.973 497 N HN 0.629 nan 8.380 nan 0.000 0.433 498 Y N 0.694 121.145 120.300 0.252 0.000 2.315 498 Y HA -0.050 4.637 4.550 0.228 0.000 0.288 498 Y C 1.826 177.815 175.900 0.148 0.000 1.154 498 Y CA 1.024 59.253 58.100 0.215 0.000 1.229 498 Y CB -0.543 38.042 38.460 0.209 0.000 0.980 498 Y HN -0.133 nan 8.280 nan 0.000 0.540 499 K N 0.557 120.662 120.400 -0.493 0.000 2.280 499 K HA -0.125 4.332 4.320 0.227 0.000 0.202 499 K C 1.424 178.021 176.600 -0.005 0.000 1.047 499 K CA 1.050 57.169 56.287 -0.280 0.000 0.942 499 K CB -0.206 32.046 32.500 -0.413 0.000 0.739 499 K HN 0.390 nan 8.250 nan 0.000 0.457 500 N N 0.651 119.355 118.700 0.006 0.000 2.453 500 N HA -0.086 4.790 4.740 0.227 0.000 0.183 500 N C 1.044 176.531 175.510 -0.039 0.000 1.041 500 N CA 0.936 53.977 53.050 -0.016 0.000 0.900 500 N CB 0.200 38.716 38.487 0.049 0.000 0.961 500 N HN 0.224 nan 8.380 nan 0.000 0.443 501 L N -0.756 120.534 121.223 0.113 0.000 2.808 501 L HA 0.262 4.738 4.340 0.227 0.000 0.246 501 L C -0.094 176.883 176.870 0.178 0.000 1.153 501 L CA -0.365 54.580 54.840 0.175 0.000 0.956 501 L CB 0.076 42.194 42.059 0.098 0.000 1.270 501 L HN -0.071 nan 8.230 nan 0.000 0.528 502 F N 2.163 122.143 119.950 0.050 0.000 2.445 502 F HA 0.214 4.877 4.527 0.227 0.000 0.359 502 F C 0.405 176.027 175.800 -0.298 0.000 1.101 502 F CA -0.856 57.074 58.000 -0.118 0.000 1.177 502 F CB 0.554 39.529 39.000 -0.041 0.000 1.110 502 F HN -0.070 nan 8.300 nan 0.000 0.522 503 D N 5.484 125.113 120.400 -1.284 0.000 2.317 503 D HA 0.179 4.956 4.640 0.227 0.000 0.234 503 D C 0.717 176.378 176.300 -1.065 0.000 1.112 503 D CA -0.302 52.893 54.000 -1.341 0.000 0.840 503 D CB 1.388 41.218 40.800 -1.616 0.000 1.078 503 D HN 0.580 nan 8.370 nan 0.000 0.486 504 K N 2.230 122.309 120.400 -0.534 0.000 2.074 504 K HA -0.191 4.265 4.320 0.227 0.000 0.209 504 K C 1.540 177.980 176.600 -0.266 0.000 1.048 504 K CA 1.684 57.822 56.287 -0.248 0.000 0.926 504 K CB 0.149 32.617 32.500 -0.053 0.000 0.713 504 K HN 0.565 nan 8.250 nan 0.000 0.444 505 E N 0.210 120.234 120.200 -0.294 0.000 2.028 505 E HA -0.154 4.332 4.350 0.227 0.000 0.191 505 E C 2.177 178.640 176.600 -0.229 0.000 0.988 505 E CA 1.598 57.873 56.400 -0.209 0.000 0.799 505 E CB -0.161 29.434 29.700 -0.176 0.000 0.755 505 E HN 0.364 nan 8.360 nan 0.000 0.447 506 S N 0.721 116.212 115.700 -0.349 0.000 2.406 506 S HA -0.095 4.511 4.470 0.227 0.000 0.228 506 S C 0.922 175.314 174.600 -0.347 0.000 1.020 506 S CA 0.805 58.828 58.200 -0.296 0.000 0.965 506 S CB -0.185 62.822 63.200 -0.321 0.000 0.798 506 S HN 0.187 nan 8.310 nan 0.000 0.488 507 K N 0.196 120.294 120.400 -0.503 0.000 3.160 507 K HA -0.116 4.340 4.320 0.227 0.000 0.280 507 K C -0.907 175.360 176.600 -0.555 0.000 1.154 507 K CA 0.724 56.732 56.287 -0.465 0.000 0.822 507 K CB -2.016 30.432 32.500 -0.087 0.000 1.239 507 K HN 0.476 nan 8.250 nan 0.000 0.489 508 L N -0.205 120.553 121.223 -0.776 0.000 2.327 508 L HA 0.529 5.005 4.340 0.227 0.000 0.258 508 L C 0.303 176.801 176.870 -0.620 0.000 1.024 508 L CA -1.441 53.013 54.840 -0.644 0.000 0.825 508 L CB 1.246 42.939 42.059 -0.610 0.000 1.386 508 L HN -0.113 nan 8.230 nan 0.000 0.417 509 M N 1.754 121.135 119.600 -0.365 0.000 2.245 509 M HA 0.262 4.878 4.480 0.227 0.000 0.344 509 M C -0.279 175.923 176.300 -0.163 0.000 1.170 509 M CA 0.605 55.801 55.300 -0.173 0.000 1.135 509 M CB 0.229 32.849 32.600 0.033 0.000 1.574 509 M HN 0.511 nan 8.290 nan 0.000 0.452 510 R N 0.469 120.821 120.500 -0.246 0.000 2.584 510 R HA 0.529 5.005 4.340 0.227 0.000 0.276 510 R C -0.321 175.891 176.300 -0.147 0.000 1.046 510 R CA -0.435 55.428 56.100 -0.395 0.000 0.906 510 R CB 1.473 31.076 30.300 -1.162 0.000 1.215 510 R HN 0.906 nan 8.270 nan 0.000 0.449 511 G N 2.750 111.448 108.800 -0.170 0.000 2.414 511 G HA2 0.110 4.206 3.960 0.227 0.000 0.236 511 G HA3 0.110 4.206 3.960 0.227 0.000 0.236 511 G C -0.712 174.137 174.900 -0.084 0.000 1.293 511 G CA -0.203 44.825 45.100 -0.119 0.000 0.869 511 G HN 0.556 nan 8.290 nan 0.000 0.556 512 R N 1.582 122.040 120.500 -0.071 0.000 2.534 512 R HA 0.205 4.681 4.340 0.227 0.000 0.301 512 R C -0.212 176.086 176.300 -0.004 0.000 0.961 512 R CA -0.845 55.116 56.100 -0.232 0.000 0.871 512 R CB 0.774 30.592 30.300 -0.803 0.000 1.170 512 R HN 0.562 nan 8.270 nan 0.000 0.446 513 N N 1.898 120.582 118.700 -0.027 0.000 2.415 513 N HA -0.084 4.792 4.740 0.227 0.000 0.248 513 N C 0.733 176.318 175.510 0.124 0.000 1.271 513 N CA 0.157 53.249 53.050 0.070 0.000 0.913 513 N CB 0.915 39.415 38.487 0.022 0.000 1.129 513 N HN 0.716 nan 8.380 nan 0.000 0.444 514 E N 0.703 120.959 120.200 0.093 0.000 2.070 514 E HA -0.268 4.219 4.350 0.227 0.000 0.197 514 E C 0.265 176.902 176.600 0.062 0.000 1.004 514 E CA 1.815 58.256 56.400 0.068 0.000 0.805 514 E CB -0.014 29.704 29.700 0.030 0.000 0.744 514 E HN 0.668 nan 8.360 nan 0.000 0.451 515 D N -1.447 118.972 120.400 0.031 0.000 2.392 515 D HA -0.009 4.767 4.640 0.227 0.000 0.228 515 D C 1.221 177.515 176.300 -0.010 0.000 1.003 515 D CA 0.889 54.893 54.000 0.007 0.000 0.917 515 D CB -0.055 40.742 40.800 -0.005 0.000 0.890 515 D HN 0.367 nan 8.370 nan 0.000 0.532 516 G N -0.223 108.580 108.800 0.006 0.000 2.179 516 G HA2 -0.290 3.807 3.960 0.227 0.000 0.260 516 G HA3 -0.290 3.807 3.960 0.227 0.000 0.260 516 G C 0.456 175.200 174.900 -0.260 0.000 0.977 516 G CA 0.522 45.572 45.100 -0.084 0.000 0.641 516 G HN 0.790 nan 8.290 nan 0.000 0.533 517 T N -0.681 113.765 114.554 -0.181 0.000 2.897 517 T HA 0.625 5.112 4.350 0.227 0.000 0.294 517 T C 0.420 174.962 174.700 -0.263 0.000 1.004 517 T CA -0.681 61.301 62.100 -0.197 0.000 1.106 517 T CB 1.368 70.186 68.868 -0.083 0.000 0.949 517 T HN 0.243 nan 8.240 nan 0.000 0.520 518 F N 2.353 122.193 119.950 -0.184 0.000 2.545 518 F HA 0.265 4.928 4.527 0.227 0.000 0.348 518 F C 1.249 176.900 175.800 -0.249 0.000 1.163 518 F CA -0.445 57.396 58.000 -0.265 0.000 1.331 518 F CB 0.437 39.237 39.000 -0.334 0.000 1.138 518 F HN 0.686 nan 8.300 nan 0.000 0.602 519 Q N 0.668 120.390 119.800 -0.130 0.000 2.394 519 Q HA 0.522 4.999 4.340 0.227 0.000 0.248 519 Q C -0.822 175.092 176.000 -0.143 0.000 0.992 519 Q CA -0.322 55.327 55.803 -0.257 0.000 0.888 519 Q CB 1.151 29.416 28.738 -0.788 0.000 1.257 519 Q HN 0.465 nan 8.270 nan 0.000 0.462 520 S N 1.237 116.886 115.700 -0.086 0.000 2.536 520 S HA 0.608 5.214 4.470 0.227 0.000 0.271 520 S C -2.466 172.136 174.600 0.003 0.000 1.134 520 S CA -1.125 57.066 58.200 -0.016 0.000 0.897 520 S CB 1.141 64.339 63.200 -0.004 0.000 1.094 520 S HN 0.823 nan 8.310 nan 0.000 0.473 521 P HA 0.471 nan 4.420 nan 0.000 0.276 521 P C -1.316 176.024 177.300 0.066 0.000 1.252 521 P CA -0.426 62.694 63.100 0.033 0.000 0.802 521 P CB 0.396 32.109 31.700 0.022 0.000 1.035 522 F N 0.602 120.494 119.950 -0.097 0.000 2.436 522 F HA 0.491 5.154 4.527 0.227 0.000 0.340 522 F C -0.333 175.422 175.800 -0.076 0.000 1.113 522 F CA -0.559 57.369 58.000 -0.120 0.000 1.022 522 F CB 1.633 40.527 39.000 -0.177 0.000 1.128 522 F HN 0.291 nan 8.300 nan 0.000 0.466 523 S N 7.660 122.906 115.700 -0.758 0.000 2.707 523 S HA 0.436 5.042 4.470 0.227 0.000 0.303 523 S C -1.981 172.055 174.600 -0.940 0.000 1.132 523 S CA -1.524 56.231 58.200 -0.742 0.000 1.046 523 S CB 1.389 64.433 63.200 -0.259 0.000 1.004 523 S HN 0.527 nan 8.310 nan 0.000 0.483 524 P HA -0.026 nan 4.420 nan 0.000 0.226 524 P C 0.763 177.935 177.300 -0.214 0.000 1.146 524 P CA 0.785 63.493 63.100 -0.654 0.000 0.773 524 P CB 0.082 31.425 31.700 -0.596 0.000 0.772 525 L N -1.457 119.728 121.223 -0.064 0.000 2.693 525 L HA 0.202 4.679 4.340 0.227 0.000 0.235 525 L C 1.252 178.282 176.870 0.268 0.000 1.127 525 L CA -0.290 54.635 54.840 0.141 0.000 0.914 525 L CB -0.062 42.100 42.059 0.172 0.000 1.193 525 L HN -0.123 nan 8.230 nan 0.000 0.502 526 K N 0.450 120.950 120.400 0.166 0.000 2.276 526 K HA 0.091 4.547 4.320 0.227 0.000 0.283 526 K C -1.006 175.838 176.600 0.406 0.000 1.044 526 K CA -0.436 56.035 56.287 0.307 0.000 0.944 526 K CB 0.609 33.217 32.500 0.180 0.000 1.012 526 K HN -0.135 nan 8.250 nan 0.000 0.472 527 W N 3.095 124.554 121.300 0.264 0.000 2.332 527 W HA 0.488 5.284 4.660 0.227 0.000 0.351 527 W C 0.876 177.586 176.519 0.319 0.000 1.195 527 W CA 0.906 58.450 57.345 0.332 0.000 1.334 527 W CB 0.897 30.573 29.460 0.362 0.000 1.206 527 W HN 1.005 nan 8.180 nan 0.000 0.637 528 G N 1.378 110.486 108.800 0.514 0.000 2.598 528 G HA2 -0.222 3.874 3.960 0.227 0.000 0.244 528 G HA3 -0.222 3.874 3.960 0.227 0.000 0.244 528 G C 0.349 174.865 174.900 -0.642 0.000 1.302 528 G CA 1.062 46.095 45.100 -0.112 0.000 0.903 528 G HN 0.880 nan 8.290 nan 0.000 0.575 529 D N -2.724 116.578 120.400 -1.830 0.000 4.508 529 D HA -0.173 4.603 4.640 0.227 0.000 0.178 529 D C 2.142 178.094 176.300 -0.579 0.000 0.644 529 D CA 4.255 57.625 54.000 -1.050 0.000 1.244 529 D CB -1.533 39.021 40.800 -0.410 0.000 0.727 529 D HN 1.882 nan 8.370 nan 0.000 0.495 530 A N -0.701 121.876 122.820 -0.405 0.000 2.016 530 A HA 0.284 4.740 4.320 0.227 0.000 0.217 530 A C 1.103 178.165 177.584 -0.871 0.000 1.162 530 A CA 1.279 52.959 52.037 -0.595 0.000 0.662 530 A CB -0.285 18.315 19.000 -0.666 0.000 0.812 530 A HN 0.253 nan 8.150 nan 0.000 0.450 531 F N -1.638 118.196 119.950 -0.193 0.000 2.585 531 F HA 0.514 5.177 4.527 0.227 0.000 0.350 531 F C 0.482 176.214 175.800 -0.113 0.000 1.074 531 F CA -0.805 57.061 58.000 -0.224 0.000 1.032 531 F CB 0.934 39.878 39.000 -0.095 0.000 1.330 531 F HN -0.352 nan 8.300 nan 0.000 0.495 532 T N 0.958 115.672 114.554 0.267 0.000 2.821 532 T HA 0.264 4.750 4.350 0.227 0.000 0.307 532 T C -0.625 174.379 174.700 0.507 0.000 1.034 532 T CA -0.610 61.702 62.100 0.354 0.000 0.953 532 T CB -0.078 69.025 68.868 0.391 0.000 0.968 532 T HN 0.601 nan 8.240 nan 0.000 0.462 533 E N 1.257 121.735 120.200 0.463 0.000 2.269 533 E HA -0.171 4.316 4.350 0.227 0.000 0.223 533 E C 0.435 177.205 176.600 0.284 0.000 1.244 533 E CA 0.397 57.057 56.400 0.433 0.000 0.713 533 E CB -1.374 28.469 29.700 0.239 0.000 1.178 533 E HN 0.879 nan 8.360 nan 0.000 0.370 534 G N 0.120 108.979 108.800 0.098 0.000 2.451 534 G HA2 0.429 4.526 3.960 0.227 0.000 0.292 534 G HA3 0.429 4.526 3.960 0.227 0.000 0.292 534 G C -1.099 173.520 174.900 -0.468 0.000 1.427 534 G CA -0.301 44.543 45.100 -0.427 0.000 0.792 534 G HN 0.135 nan 8.290 nan 0.000 0.498 535 N N -1.765 116.441 118.700 -0.823 0.000 3.184 535 N HA 0.582 5.458 4.740 0.227 0.000 0.353 535 N C 1.249 176.131 175.510 -1.047 0.000 1.441 535 N CA 0.216 52.815 53.050 -0.751 0.000 0.723 535 N CB 0.928 38.990 38.487 -0.709 0.000 1.547 535 N HN 0.479 nan 8.380 nan 0.000 0.624 536 S N -1.590 113.548 115.700 -0.937 0.000 2.406 536 S HA -0.014 4.592 4.470 0.227 0.000 0.228 536 S C 0.992 175.140 174.600 -0.753 0.000 1.020 536 S CA 0.617 58.225 58.200 -0.986 0.000 0.965 536 S CB -0.600 62.303 63.200 -0.494 0.000 0.798 536 S HN 0.531 nan 8.310 nan 0.000 0.488 537 W N 1.106 122.064 121.300 -0.571 0.000 2.392 537 W HA -0.041 4.754 4.660 0.226 0.000 0.279 537 W C 2.157 178.533 176.519 -0.238 0.000 1.225 537 W CA 1.208 58.321 57.345 -0.387 0.000 1.233 537 W CB -0.290 28.957 29.460 -0.354 0.000 1.122 537 W HN 0.580 nan 8.180 nan 0.000 0.561 538 H N -3.701 115.297 119.070 -0.120 0.000 2.370 538 H HA -0.029 4.664 4.556 0.228 0.000 0.304 538 H C 1.450 176.673 175.328 -0.176 0.000 1.055 538 H CA 1.224 57.187 56.048 -0.142 0.000 1.373 538 H CB -0.444 29.120 29.762 -0.331 0.000 1.423 538 H HN 0.070 nan 8.280 nan 0.000 0.533 539 Y N 0.843 120.988 120.300 -0.258 0.000 2.475 539 Y HA -0.116 4.571 4.550 0.228 0.000 0.289 539 Y C 2.396 178.149 175.900 -0.246 0.000 1.121 539 Y CA 0.640 58.639 58.100 -0.168 0.000 1.257 539 Y CB 0.263 38.640 38.460 -0.139 0.000 1.026 539 Y HN 0.119 nan 8.280 nan 0.000 0.555 540 T N -0.602 113.710 114.554 -0.404 0.000 2.760 540 T HA -0.270 4.217 4.350 0.227 0.000 0.269 540 T C 0.806 175.111 174.700 -0.658 0.000 1.047 540 T CA 1.947 63.665 62.100 -0.637 0.000 1.139 540 T CB -0.493 67.722 68.868 -1.089 0.000 0.855 540 T HN 0.514 nan 8.240 nan 0.000 0.471 541 W N 1.165 122.396 121.300 -0.114 0.000 3.292 541 W HA 0.320 5.116 4.660 0.226 0.000 0.263 541 W C 1.139 177.554 176.519 -0.174 0.000 1.318 541 W CA -0.560 56.693 57.345 -0.153 0.000 1.663 541 W CB -0.247 29.052 29.460 -0.268 0.000 1.114 541 W HN -0.060 nan 8.180 nan 0.000 0.706 542 S N 1.316 116.949 115.700 -0.112 0.000 4.183 542 S HA 0.217 4.824 4.470 0.227 0.000 0.195 542 S C 0.235 174.549 174.600 -0.478 0.000 1.421 542 S CA 0.068 58.013 58.200 -0.424 0.000 0.920 542 S CB -0.411 62.862 63.200 0.121 0.000 1.525 542 S HN -0.011 nan 8.310 nan 0.000 0.447 543 V N 2.759 122.254 119.914 -0.698 0.000 2.719 543 V HA 0.177 4.434 4.120 0.227 0.000 0.330 543 V C 0.507 176.294 176.094 -0.511 0.000 1.224 543 V CA -0.518 61.449 62.300 -0.556 0.000 1.314 543 V CB -0.768 30.573 31.823 -0.803 0.000 1.416 543 V HN 0.624 nan 8.190 nan 0.000 0.651 544 F N 0.688 120.498 119.950 -0.233 0.000 2.141 544 F HA -0.279 4.388 4.527 0.234 0.000 0.300 544 F C 2.586 178.250 175.800 -0.226 0.000 1.079 544 F CA 2.400 60.216 58.000 -0.306 0.000 1.264 544 F CB -0.623 38.009 39.000 -0.615 0.000 1.011 544 F HN 0.636 nan 8.300 nan 0.000 0.487 545 H N -2.084 116.879 119.070 -0.178 0.000 2.544 545 H HA 0.130 4.822 4.556 0.227 0.000 0.269 545 H C -0.004 175.170 175.328 -0.257 0.000 0.970 545 H CA 1.155 56.932 56.048 -0.452 0.000 1.219 545 H CB -0.246 28.939 29.762 -0.962 0.000 1.421 545 H HN 0.241 nan 8.280 nan 0.000 0.555 546 D N 0.577 120.601 120.400 -0.627 0.000 2.879 546 D HA 0.240 5.016 4.640 0.227 0.000 0.351 546 D C -2.006 174.058 176.300 -0.394 0.000 1.239 546 D CA -2.052 51.685 54.000 -0.439 0.000 0.771 546 D CB 0.917 41.505 40.800 -0.353 0.000 1.176 546 D HN 0.017 nan 8.370 nan 0.000 0.496 547 P HA -0.161 nan 4.420 nan 0.000 0.216 547 P C 1.398 178.499 177.300 -0.331 0.000 1.150 547 P CA 0.990 63.832 63.100 -0.429 0.000 0.837 547 P CB 0.443 31.626 31.700 -0.861 0.000 0.786 548 Q N 0.083 119.764 119.800 -0.199 0.000 2.096 548 Q HA -0.113 4.364 4.340 0.227 0.000 0.204 548 Q C 2.216 178.119 176.000 -0.162 0.000 0.982 548 Q CA 2.354 58.057 55.803 -0.168 0.000 0.850 548 Q CB -1.616 27.062 28.738 -0.101 0.000 0.901 548 Q HN 0.168 nan 8.270 nan 0.000 0.422 549 G N 0.685 109.411 108.800 -0.124 0.000 2.469 549 G HA2 -0.282 3.814 3.960 0.227 0.000 0.219 549 G HA3 -0.282 3.814 3.960 0.227 0.000 0.219 549 G C 1.332 176.190 174.900 -0.070 0.000 1.150 549 G CA 1.105 46.179 45.100 -0.043 0.000 0.763 549 G HN 0.433 nan 8.290 nan 0.000 0.561 550 L N 0.670 121.816 121.223 -0.129 0.000 2.056 550 L HA 0.151 4.627 4.340 0.227 0.000 0.207 550 L C 2.668 179.493 176.870 -0.074 0.000 1.078 550 L CA 1.171 55.943 54.840 -0.114 0.000 0.749 550 L CB -0.388 41.638 42.059 -0.054 0.000 0.901 550 L HN 0.283 nan 8.230 nan 0.000 0.433 551 I N -0.145 120.304 120.570 -0.201 0.000 2.163 551 I HA -0.315 3.991 4.170 0.227 0.000 0.243 551 I C 2.077 178.148 176.117 -0.077 0.000 1.085 551 I CA 1.515 62.690 61.300 -0.208 0.000 1.347 551 I CB -0.643 37.088 38.000 -0.448 0.000 1.044 551 I HN 0.298 nan 8.210 nan 0.000 0.408 552 D N 0.989 121.322 120.400 -0.112 0.000 2.104 552 D HA -0.179 4.597 4.640 0.227 0.000 0.194 552 D C 2.342 178.579 176.300 -0.106 0.000 0.994 552 D CA 1.213 55.163 54.000 -0.084 0.000 0.830 552 D CB -0.482 40.266 40.800 -0.086 0.000 0.959 552 D HN 0.294 nan 8.370 nan 0.000 0.452 553 L N 0.040 121.133 121.223 -0.216 0.000 2.089 553 L HA -0.188 4.289 4.340 0.227 0.000 0.213 553 L C 2.470 179.186 176.870 -0.256 0.000 1.079 553 L CA 1.065 55.637 54.840 -0.446 0.000 0.758 553 L CB -0.241 41.217 42.059 -1.003 0.000 0.891 553 L HN 0.080 nan 8.230 nan 0.000 0.433 554 M N -1.599 117.970 119.600 -0.051 0.000 2.558 554 M HA 0.072 4.688 4.480 0.227 0.000 0.255 554 M C 1.041 177.439 176.300 0.164 0.000 1.113 554 M CA 0.903 56.323 55.300 0.200 0.000 1.097 554 M CB 0.349 33.127 32.600 0.296 0.000 1.426 554 M HN 0.420 nan 8.290 nan 0.000 0.488 555 G N 0.993 109.850 108.800 0.095 0.000 2.237 555 G HA2 0.107 4.203 3.960 0.227 0.000 0.153 555 G HA3 0.107 4.203 3.960 0.227 0.000 0.153 555 G C 0.219 175.169 174.900 0.083 0.000 1.039 555 G CA -0.236 44.913 45.100 0.082 0.000 0.719 555 G HN 0.866 nan 8.290 nan 0.000 0.491 556 G N -0.439 108.405 108.800 0.072 0.000 2.619 556 G HA2 0.294 4.390 3.960 0.227 0.000 0.686 556 G HA3 0.294 4.390 3.960 0.227 0.000 0.686 556 G C 0.747 175.716 174.900 0.115 0.000 1.256 556 G CA 0.408 45.549 45.100 0.068 0.000 0.826 556 G HN 1.540 nan 8.290 nan 0.000 0.619 557 K N 0.068 120.519 120.400 0.085 0.000 2.209 557 K HA -0.094 4.363 4.320 0.227 0.000 0.204 557 K C 1.780 178.508 176.600 0.213 0.000 1.048 557 K CA 1.948 58.309 56.287 0.124 0.000 0.940 557 K CB 0.104 32.644 32.500 0.067 0.000 0.729 557 K HN 0.623 nan 8.250 nan 0.000 0.451 558 E N 0.711 121.013 120.200 0.171 0.000 2.046 558 E HA -0.195 4.292 4.350 0.227 0.000 0.190 558 E C 2.104 178.824 176.600 0.200 0.000 0.982 558 E CA 1.062 57.567 56.400 0.175 0.000 0.800 558 E CB -0.059 29.721 29.700 0.133 0.000 0.756 558 E HN 0.328 nan 8.360 nan 0.000 0.449 559 M N 0.195 119.912 119.600 0.195 0.000 2.117 559 M HA -0.098 4.518 4.480 0.227 0.000 0.262 559 M C 1.803 178.258 176.300 0.258 0.000 1.065 559 M CA 1.401 56.820 55.300 0.198 0.000 1.114 559 M CB -0.661 32.044 32.600 0.175 0.000 1.361 559 M HN 0.260 nan 8.290 nan 0.000 0.408 560 F N -0.209 119.827 119.950 0.144 0.000 2.043 560 F HA -0.267 4.395 4.527 0.226 0.000 0.297 560 F C 1.988 177.893 175.800 0.174 0.000 1.121 560 F CA 2.298 60.403 58.000 0.175 0.000 1.199 560 F CB -0.582 38.495 39.000 0.130 0.000 0.968 560 F HN -0.003 nan 8.300 nan 0.000 0.478 561 V N -0.368 119.758 119.914 0.353 0.000 2.392 561 V HA -0.355 3.901 4.120 0.227 0.000 0.249 561 V C 2.295 178.515 176.094 0.210 0.000 1.059 561 V CA 2.404 64.874 62.300 0.282 0.000 1.051 561 V CB -1.099 30.913 31.823 0.315 0.000 0.658 561 V HN 0.464 nan 8.190 nan 0.000 0.455 562 T N -0.364 114.306 114.554 0.193 0.000 2.720 562 T HA -0.186 4.300 4.350 0.227 0.000 0.268 562 T C 1.918 176.722 174.700 0.174 0.000 1.037 562 T CA 1.540 63.744 62.100 0.172 0.000 1.144 562 T CB -0.253 68.710 68.868 0.159 0.000 0.864 562 T HN 0.211 nan 8.240 nan 0.000 0.444 563 M N 0.127 119.837 119.600 0.182 0.000 2.200 563 M HA 0.107 4.723 4.480 0.227 0.000 0.265 563 M C 2.320 178.798 176.300 0.295 0.000 1.066 563 M CA 1.289 56.769 55.300 0.299 0.000 1.127 563 M CB -0.921 31.852 32.600 0.287 0.000 1.379 563 M HN 0.319 nan 8.290 nan 0.000 0.420 564 M N 0.116 119.690 119.600 -0.044 0.000 2.077 564 M HA -0.219 4.398 4.480 0.227 0.000 0.261 564 M C 1.548 177.784 176.300 -0.107 0.000 1.070 564 M CA 1.613 56.660 55.300 -0.422 0.000 1.125 564 M CB -0.553 31.508 32.600 -0.898 0.000 1.339 564 M HN 0.139 nan 8.290 nan 0.000 0.409 565 D N 0.305 120.801 120.400 0.160 0.000 2.172 565 D HA -0.148 4.629 4.640 0.227 0.000 0.196 565 D C 1.964 178.338 176.300 0.123 0.000 0.999 565 D CA 1.582 55.749 54.000 0.278 0.000 0.856 565 D CB -0.315 40.641 40.800 0.260 0.000 0.934 565 D HN 0.282 nan 8.370 nan 0.000 0.453 566 S N -0.190 115.526 115.700 0.026 0.000 2.419 566 S HA -0.095 4.511 4.470 0.227 0.000 0.233 566 S C 2.332 176.671 174.600 -0.435 0.000 1.016 566 S CA 0.428 58.540 58.200 -0.146 0.000 0.974 566 S CB -0.175 62.957 63.200 -0.113 0.000 0.786 566 S HN 0.131 nan 8.310 nan 0.000 0.492 567 V N 1.256 120.907 119.914 -0.438 0.000 2.332 567 V HA -0.196 4.060 4.120 0.227 0.000 0.248 567 V C 1.903 177.649 176.094 -0.580 0.000 1.055 567 V CA 1.792 63.732 62.300 -0.600 0.000 1.038 567 V CB -0.964 30.526 31.823 -0.555 0.000 0.651 567 V HN 0.445 nan 8.190 nan 0.000 0.450 568 F N 0.622 120.383 119.950 -0.315 0.000 2.259 568 F HA 0.081 4.744 4.527 0.226 0.000 0.298 568 F C 2.371 178.085 175.800 -0.143 0.000 1.088 568 F CA 1.060 58.881 58.000 -0.299 0.000 1.358 568 F CB -0.854 37.819 39.000 -0.544 0.000 1.040 568 F HN 0.082 nan 8.300 nan 0.000 0.505 569 A N 0.206 123.036 122.820 0.017 0.000 1.970 569 A HA 0.084 4.541 4.320 0.227 0.000 0.216 569 A C 1.011 178.557 177.584 -0.064 0.000 1.170 569 A CA 0.834 52.880 52.037 0.015 0.000 0.645 569 A CB -1.066 17.949 19.000 0.024 0.000 0.816 569 A HN 0.086 nan 8.150 nan 0.000 0.447 570 V N -2.375 117.424 119.914 -0.192 0.000 2.546 570 V HA 0.469 4.725 4.120 0.227 0.000 0.284 570 V C -2.877 173.140 176.094 -0.128 0.000 1.050 570 V CA -2.841 59.341 62.300 -0.196 0.000 0.981 570 V CB 0.507 32.118 31.823 -0.354 0.000 0.990 570 V HN 0.093 nan 8.190 nan 0.000 0.474 571 P HA 0.100 nan 4.420 nan 0.000 0.264 571 P C -2.301 175.009 177.300 0.016 0.000 1.179 571 P CA -0.700 62.396 63.100 -0.007 0.000 0.763 571 P CB -0.154 31.546 31.700 -0.001 0.000 0.806 572 P HA 0.074 nan 4.420 nan 0.000 0.237 572 P C -0.128 177.314 177.300 0.237 0.000 1.723 572 P CA 0.233 63.423 63.100 0.150 0.000 0.882 572 P CB -0.182 31.604 31.700 0.143 0.000 1.810 573 I N 1.714 122.376 120.570 0.155 0.000 2.779 573 I HA 0.232 4.539 4.170 0.227 0.000 0.285 573 I C 0.902 177.177 176.117 0.263 0.000 1.134 573 I CA -0.034 61.327 61.300 0.102 0.000 1.398 573 I CB -0.431 37.572 38.000 0.004 0.000 1.404 573 I HN 0.091 nan 8.210 nan 0.000 0.587 574 F N 1.663 121.661 119.950 0.081 0.000 2.713 574 F HA 0.551 5.215 4.527 0.229 0.000 0.311 574 F C -1.292 174.561 175.800 0.089 0.000 1.141 574 F CA -1.283 56.798 58.000 0.134 0.000 0.939 574 F CB 1.339 40.338 39.000 -0.001 0.000 1.325 574 F HN 0.321 nan 8.300 nan 0.000 0.453 575 D N 1.307 121.940 120.400 0.388 0.000 2.481 575 D HA 0.244 5.020 4.640 0.227 0.000 0.246 575 D C -0.544 176.024 176.300 0.447 0.000 1.109 575 D CA -0.445 53.714 54.000 0.265 0.000 0.845 575 D CB 1.567 42.481 40.800 0.190 0.000 1.160 575 D HN 0.705 nan 8.370 nan 0.000 0.534 576 D N 1.430 122.089 120.400 0.433 0.000 2.369 576 D HA -0.071 4.706 4.640 0.227 0.000 0.211 576 D C 1.399 177.906 176.300 0.344 0.000 1.077 576 D CA 0.204 54.448 54.000 0.407 0.000 0.842 576 D CB -0.118 40.875 40.800 0.322 0.000 0.947 576 D HN 0.263 nan 8.370 nan 0.000 0.509 577 S N 0.349 116.200 115.700 0.252 0.000 2.399 577 S HA -0.408 4.199 4.470 0.227 0.000 0.235 577 S C 1.951 176.646 174.600 0.158 0.000 1.063 577 S CA 1.262 59.567 58.200 0.175 0.000 1.070 577 S CB -1.439 61.845 63.200 0.139 0.000 0.904 577 S HN 0.408 nan 8.310 nan 0.000 0.456 578 Y N 1.737 122.070 120.300 0.055 0.000 2.241 578 Y HA -0.211 4.475 4.550 0.227 0.000 0.286 578 Y C 1.894 177.653 175.900 -0.235 0.000 1.166 578 Y CA 1.512 59.544 58.100 -0.113 0.000 1.203 578 Y CB -0.522 37.820 38.460 -0.197 0.000 0.977 578 Y HN 0.343 nan 8.280 nan 0.000 0.529 579 Y N -1.065 119.271 120.300 0.059 0.000 2.503 579 Y HA 0.233 4.919 4.550 0.227 0.000 0.278 579 Y C 2.148 178.022 175.900 -0.042 0.000 1.111 579 Y CA 0.548 58.620 58.100 -0.047 0.000 1.270 579 Y CB -0.157 38.319 38.460 0.027 0.000 1.063 579 Y HN 0.127 nan 8.280 nan 0.000 0.548 580 G N 0.743 109.613 108.800 0.118 0.000 2.166 580 G HA2 -0.271 3.825 3.960 0.227 0.000 0.260 580 G HA3 -0.271 3.825 3.960 0.227 0.000 0.260 580 G C 0.009 174.972 174.900 0.105 0.000 0.986 580 G CA 0.713 45.862 45.100 0.082 0.000 0.683 580 G HN 0.507 nan 8.290 nan 0.000 0.527 581 Q N -2.945 116.938 119.800 0.138 0.000 2.829 581 Q HA 0.488 4.965 4.340 0.227 0.000 0.296 581 Q C -1.046 174.985 176.000 0.052 0.000 0.893 581 Q CA -0.952 54.914 55.803 0.105 0.000 0.772 581 Q CB 0.914 29.719 28.738 0.111 0.000 1.489 581 Q HN 0.475 nan 8.270 nan 0.000 0.420 582 V N 3.043 122.960 119.914 0.005 0.000 2.276 582 V HA 0.189 4.445 4.120 0.227 0.000 0.249 582 V C 0.772 176.729 176.094 -0.229 0.000 1.160 582 V CA -0.301 61.902 62.300 -0.161 0.000 1.042 582 V CB -1.321 30.444 31.823 -0.097 0.000 1.224 582 V HN 0.610 nan 8.190 nan 0.000 0.496 583 I N 0.835 121.189 120.570 -0.359 0.000 3.161 583 I HA 0.092 4.399 4.170 0.227 0.000 0.284 583 I C 1.797 177.654 176.117 -0.433 0.000 1.252 583 I CA 0.039 61.093 61.300 -0.410 0.000 1.374 583 I CB 0.147 37.756 38.000 -0.652 0.000 1.359 583 I HN 0.729 nan 8.210 nan 0.000 0.606 584 H N 0.755 119.605 119.070 -0.367 0.000 2.457 584 H HA -0.049 4.642 4.556 0.226 0.000 0.294 584 H C 1.492 176.669 175.328 -0.252 0.000 1.064 584 H CA 1.430 57.325 56.048 -0.255 0.000 1.330 584 H CB -0.351 29.320 29.762 -0.153 0.000 1.395 584 H HN 0.741 nan 8.280 nan 0.000 0.541 585 E N 0.905 120.596 120.200 -0.849 0.000 2.110 585 E HA -0.072 4.414 4.350 0.227 0.000 0.193 585 E C 2.024 178.370 176.600 -0.424 0.000 0.988 585 E CA 1.401 57.498 56.400 -0.505 0.000 0.804 585 E CB -0.056 29.409 29.700 -0.392 0.000 0.745 585 E HN 0.606 nan 8.360 nan 0.000 0.458 586 I N 0.170 120.256 120.570 -0.808 0.000 2.252 586 I HA -0.214 4.092 4.170 0.227 0.000 0.245 586 I C 2.416 178.151 176.117 -0.637 0.000 1.102 586 I CA 0.791 61.407 61.300 -1.139 0.000 1.385 586 I CB -0.110 36.905 38.000 -1.642 0.000 1.064 586 I HN 0.021 nan 8.210 nan 0.000 0.414 587 R N 1.556 121.779 120.500 -0.461 0.000 2.081 587 R HA -0.182 4.295 4.340 0.227 0.000 0.235 587 R C 2.001 178.217 176.300 -0.141 0.000 1.131 587 R CA 1.638 57.589 56.100 -0.248 0.000 0.960 587 R CB -0.354 29.860 30.300 -0.142 0.000 0.856 587 R HN 0.323 nan 8.270 nan 0.000 0.436 588 E N -0.305 119.824 120.200 -0.119 0.000 2.097 588 E HA -0.264 4.223 4.350 0.227 0.000 0.196 588 E C 1.923 178.493 176.600 -0.050 0.000 1.000 588 E CA 1.890 58.258 56.400 -0.053 0.000 0.804 588 E CB -0.239 29.443 29.700 -0.029 0.000 0.740 588 E HN 0.375 nan 8.360 nan 0.000 0.454 589 M N 0.752 120.312 119.600 -0.068 0.000 2.117 589 M HA -0.172 4.445 4.480 0.227 0.000 0.262 589 M C 2.308 178.617 176.300 0.015 0.000 1.065 589 M CA 2.109 57.405 55.300 -0.006 0.000 1.114 589 M CB -0.292 32.366 32.600 0.096 0.000 1.361 589 M HN 0.219 nan 8.290 nan 0.000 0.408 590 T N -1.607 112.938 114.554 -0.015 0.000 2.867 590 T HA -0.070 4.416 4.350 0.227 0.000 0.268 590 T C 1.486 176.209 174.700 0.040 0.000 1.057 590 T CA 1.325 63.446 62.100 0.035 0.000 1.136 590 T CB -1.266 67.629 68.868 0.044 0.000 0.874 590 T HN 0.463 nan 8.240 nan 0.000 0.466 591 V N -1.409 118.517 119.914 0.020 0.000 3.306 591 V HA 0.307 4.564 4.120 0.227 0.000 0.264 591 V C 2.349 178.463 176.094 0.035 0.000 1.149 591 V CA 0.606 62.922 62.300 0.027 0.000 1.143 591 V CB -1.075 30.758 31.823 0.017 0.000 0.767 591 V HN 0.364 nan 8.190 nan 0.000 0.476 592 M N 0.574 120.198 119.600 0.040 0.000 2.349 592 M HA 0.093 4.710 4.480 0.227 0.000 0.266 592 M C 1.208 177.554 176.300 0.077 0.000 1.076 592 M CA 1.175 56.507 55.300 0.054 0.000 1.126 592 M CB -0.451 32.185 32.600 0.060 0.000 1.392 592 M HN 0.672 nan 8.290 nan 0.000 0.440 593 N N 1.001 119.748 118.700 0.080 0.000 2.738 593 N HA -0.170 4.706 4.740 0.227 0.000 0.249 593 N C -0.549 175.042 175.510 0.134 0.000 1.047 593 N CA 0.145 53.251 53.050 0.093 0.000 0.707 593 N CB -0.423 38.112 38.487 0.080 0.000 0.937 593 N HN 0.388 nan 8.380 nan 0.000 0.545 594 M N 0.406 120.094 119.600 0.147 0.000 3.320 594 M HA 0.176 4.792 4.480 0.227 0.000 0.414 594 M C 1.162 177.546 176.300 0.140 0.000 1.553 594 M CA 0.337 55.763 55.300 0.210 0.000 0.742 594 M CB 0.851 33.617 32.600 0.278 0.000 1.434 594 M HN 0.407 nan 8.290 nan 0.000 0.505 595 G N 2.017 110.868 108.800 0.086 0.000 2.660 595 G HA2 -0.342 3.754 3.960 0.227 0.000 0.321 595 G HA3 -0.342 3.754 3.960 0.227 0.000 0.321 595 G C 0.466 175.364 174.900 -0.004 0.000 1.246 595 G CA 0.710 45.813 45.100 0.005 0.000 1.000 595 G HN 0.621 nan 8.290 nan 0.000 0.550 596 N N 0.089 118.731 118.700 -0.097 0.000 2.268 596 N HA 0.080 4.956 4.740 0.227 0.000 0.204 596 N C 0.046 175.581 175.510 0.042 0.000 1.124 596 N CA -0.027 53.037 53.050 0.023 0.000 0.838 596 N CB 0.411 38.842 38.487 -0.094 0.000 0.994 596 N HN 0.429 nan 8.380 nan 0.000 0.489 597 Y N 2.410 122.569 120.300 -0.236 0.000 2.576 597 Y HA 0.160 4.846 4.550 0.226 0.000 0.348 597 Y C 0.470 176.272 175.900 -0.163 0.000 1.212 597 Y CA -0.888 57.025 58.100 -0.313 0.000 1.683 597 Y CB -0.343 37.806 38.460 -0.519 0.000 1.484 597 Y HN -0.028 nan 8.280 nan 0.000 0.477 598 A N 5.472 127.877 122.820 -0.691 0.000 3.077 598 A HA 0.021 4.477 4.320 0.227 0.000 0.255 598 A C 1.612 178.753 177.584 -0.738 0.000 1.728 598 A CA -0.139 51.538 52.037 -0.601 0.000 1.383 598 A CB -1.145 17.433 19.000 -0.703 0.000 1.097 598 A HN 0.982 nan 8.150 nan 0.000 0.634 599 H N 1.332 119.854 119.070 -0.913 0.000 2.489 599 H HA -0.155 4.536 4.556 0.226 0.000 0.295 599 H C 1.817 176.883 175.328 -0.437 0.000 1.082 599 H CA 1.647 57.254 56.048 -0.735 0.000 1.295 599 H CB 0.220 29.762 29.762 -0.366 0.000 1.380 599 H HN 0.617 nan 8.280 nan 0.000 0.548 600 G N -0.199 108.412 108.800 -0.316 0.000 2.848 600 G HA2 -0.118 3.978 3.960 0.227 0.000 0.208 600 G HA3 -0.118 3.978 3.960 0.227 0.000 0.208 600 G C 0.154 174.933 174.900 -0.203 0.000 1.152 600 G CA -0.113 44.858 45.100 -0.214 0.000 0.789 600 G HN 0.251 nan 8.290 nan 0.000 0.531 601 N N -1.771 116.756 118.700 -0.288 0.000 2.357 601 N HA 0.352 5.229 4.740 0.227 0.000 0.284 601 N C 0.756 176.111 175.510 -0.259 0.000 1.236 601 N CA -0.656 52.288 53.050 -0.176 0.000 0.774 601 N CB 1.777 40.222 38.487 -0.069 0.000 1.534 601 N HN -0.202 nan 8.380 nan 0.000 0.478 602 Q N 0.489 120.182 119.800 -0.179 0.000 2.167 602 Q HA 0.087 4.563 4.340 0.227 0.000 0.202 602 Q C -1.181 174.616 176.000 -0.338 0.000 0.970 602 Q CA 1.684 57.295 55.803 -0.319 0.000 0.855 602 Q CB -0.688 27.749 28.738 -0.501 0.000 0.911 602 Q HN 0.590 nan 8.270 nan 0.000 0.438 603 P HA -0.134 nan 4.420 nan 0.000 0.218 603 P C 0.700 177.900 177.300 -0.168 0.000 1.148 603 P CA 1.083 63.956 63.100 -0.378 0.000 0.822 603 P CB 0.122 31.433 31.700 -0.649 0.000 0.784 604 I N -1.188 119.241 120.570 -0.236 0.000 3.875 604 I HA 0.046 4.353 4.170 0.227 0.000 0.329 604 I C 1.548 177.580 176.117 -0.141 0.000 1.295 604 I CA 0.266 61.448 61.300 -0.196 0.000 1.129 604 I CB -0.078 37.735 38.000 -0.311 0.000 1.008 604 I HN -0.113 nan 8.210 nan 0.000 0.413 605 Q N -0.040 119.726 119.800 -0.056 0.000 2.297 605 Q HA -0.187 4.290 4.340 0.227 0.000 0.204 605 Q C 1.728 177.922 176.000 0.323 0.000 0.962 605 Q CA 1.226 57.018 55.803 -0.017 0.000 0.879 605 Q CB 0.067 28.718 28.738 -0.146 0.000 0.947 605 Q HN 0.709 nan 8.270 nan 0.000 0.462 606 H N -1.335 117.855 119.070 0.200 0.000 2.562 606 H HA 0.106 4.798 4.556 0.228 0.000 0.267 606 H C 1.822 177.285 175.328 0.225 0.000 0.959 606 H CA 0.123 56.303 56.048 0.221 0.000 1.204 606 H CB -0.353 29.606 29.762 0.328 0.000 1.430 606 H HN 0.160 nan 8.280 nan 0.000 0.545 607 M N 1.324 120.543 119.600 -0.636 0.000 2.103 607 M HA -0.216 4.401 4.480 0.227 0.000 0.255 607 M C 1.980 178.062 176.300 -0.363 0.000 1.074 607 M CA 1.826 56.728 55.300 -0.663 0.000 1.090 607 M CB -0.321 31.871 32.600 -0.680 0.000 1.325 607 M HN 0.267 nan 8.290 nan 0.000 0.403 608 I N -0.833 119.654 120.570 -0.140 0.000 2.264 608 I HA -0.342 3.964 4.170 0.227 0.000 0.248 608 I C 1.906 178.014 176.117 -0.015 0.000 1.111 608 I CA 1.535 62.777 61.300 -0.097 0.000 1.382 608 I CB -0.570 37.410 38.000 -0.033 0.000 1.060 608 I HN 0.304 nan 8.210 nan 0.000 0.418 609 Y N 0.448 120.811 120.300 0.104 0.000 2.421 609 Y HA -0.152 4.537 4.550 0.232 0.000 0.292 609 Y C 2.299 178.362 175.900 0.273 0.000 1.136 609 Y CA 0.759 58.986 58.100 0.211 0.000 1.255 609 Y CB -0.318 38.287 38.460 0.242 0.000 0.991 609 Y HN 0.130 nan 8.280 nan 0.000 0.552 610 L N -1.598 119.765 121.223 0.233 0.000 2.187 610 L HA -0.273 4.203 4.340 0.227 0.000 0.213 610 L C 1.763 178.812 176.870 0.298 0.000 1.100 610 L CA 1.119 56.076 54.840 0.196 0.000 0.765 610 L CB -0.772 41.288 42.059 0.002 0.000 0.904 610 L HN 0.271 nan 8.230 nan 0.000 0.437 611 Y N 0.642 121.053 120.300 0.186 0.000 2.298 611 Y HA -0.298 4.388 4.550 0.227 0.000 0.287 611 Y C 2.270 178.229 175.900 0.098 0.000 1.164 611 Y CA 1.354 59.517 58.100 0.106 0.000 1.229 611 Y CB -0.620 37.833 38.460 -0.011 0.000 0.977 611 Y HN 0.280 nan 8.280 nan 0.000 0.538 612 D N -1.693 118.911 120.400 0.340 0.000 2.144 612 D HA -0.172 4.605 4.640 0.227 0.000 0.200 612 D C 1.672 178.069 176.300 0.161 0.000 0.978 612 D CA 1.311 55.439 54.000 0.214 0.000 0.833 612 D CB -0.470 40.459 40.800 0.216 0.000 0.961 612 D HN 0.363 nan 8.370 nan 0.000 0.470 613 Y N 0.231 120.571 120.300 0.067 0.000 2.516 613 Y HA 0.213 4.898 4.550 0.225 0.000 0.291 613 Y C 2.013 177.863 175.900 -0.084 0.000 1.131 613 Y CA 0.405 58.492 58.100 -0.022 0.000 1.281 613 Y CB -0.130 38.275 38.460 -0.092 0.000 1.013 613 Y HN -0.076 nan 8.280 nan 0.000 0.554 614 A N -0.740 122.152 122.820 0.119 0.000 2.387 614 A HA 0.510 4.967 4.320 0.227 0.000 0.234 614 A C 1.820 179.443 177.584 0.066 0.000 1.253 614 A CA 0.475 52.553 52.037 0.067 0.000 0.894 614 A CB -0.794 18.320 19.000 0.190 0.000 0.963 614 A HN 0.471 nan 8.150 nan 0.000 0.508 615 G N -0.547 108.278 108.800 0.041 0.000 2.160 615 G HA2 -0.245 3.851 3.960 0.227 0.000 0.244 615 G HA3 -0.245 3.851 3.960 0.227 0.000 0.244 615 G C -0.002 174.810 174.900 -0.146 0.000 1.022 615 G CA 0.393 45.501 45.100 0.012 0.000 0.741 615 G HN 0.595 nan 8.290 nan 0.000 0.508 616 Q N -0.490 119.112 119.800 -0.330 0.000 2.773 616 Q HA 0.208 4.684 4.340 0.227 0.000 0.373 616 Q C -1.628 173.858 176.000 -0.857 0.000 0.940 616 Q CA -1.604 53.527 55.803 -1.121 0.000 1.015 616 Q CB 1.684 29.820 28.738 -1.005 0.000 1.349 616 Q HN 0.338 nan 8.270 nan 0.000 0.413 617 P HA -0.174 nan 4.420 nan 0.000 0.222 617 P C 0.860 178.142 177.300 -0.030 0.000 1.147 617 P CA 0.933 63.984 63.100 -0.082 0.000 0.790 617 P CB -0.101 31.648 31.700 0.083 0.000 0.780 618 W N 1.358 122.712 121.300 0.091 0.000 2.363 618 W HA 0.002 4.799 4.660 0.228 0.000 0.296 618 W C 1.837 178.446 176.519 0.150 0.000 1.212 618 W CA 0.934 58.366 57.345 0.146 0.000 1.260 618 W CB -1.582 27.857 29.460 -0.036 0.000 1.131 618 W HN -0.210 nan 8.180 nan 0.000 0.530 619 K N 0.862 120.920 120.400 -0.571 0.000 2.032 619 K HA -0.156 4.300 4.320 0.227 0.000 0.209 619 K C 2.440 178.881 176.600 -0.265 0.000 1.048 619 K CA 1.874 57.836 56.287 -0.541 0.000 0.927 619 K CB -0.753 31.015 32.500 -1.221 0.000 0.712 619 K HN 0.308 nan 8.250 nan 0.000 0.441 620 A N 1.465 124.206 122.820 -0.131 0.000 1.902 620 A HA -0.235 4.222 4.320 0.227 0.000 0.217 620 A C 2.088 179.691 177.584 0.032 0.000 1.181 620 A CA 1.474 53.569 52.037 0.097 0.000 0.623 620 A CB -0.488 18.584 19.000 0.119 0.000 0.818 620 A HN 0.361 nan 8.150 nan 0.000 0.443 621 Q N -1.968 117.885 119.800 0.088 0.000 2.096 621 Q HA -0.216 4.260 4.340 0.227 0.000 0.204 621 Q C 2.006 177.999 176.000 -0.011 0.000 0.982 621 Q CA 1.985 57.847 55.803 0.099 0.000 0.850 621 Q CB -0.419 28.479 28.738 0.267 0.000 0.901 621 Q HN 0.872 nan 8.270 nan 0.000 0.422 622 Y N -0.611 119.622 120.300 -0.111 0.000 2.114 622 Y HA -0.261 4.426 4.550 0.228 0.000 0.284 622 Y C 1.600 177.148 175.900 -0.586 0.000 1.143 622 Y CA 1.610 59.454 58.100 -0.427 0.000 1.135 622 Y CB -0.413 37.857 38.460 -0.318 0.000 0.980 622 Y HN 0.120 nan 8.280 nan 0.000 0.499 623 W N 0.405 121.552 121.300 -0.254 0.000 2.388 623 W HA -0.159 4.637 4.660 0.226 0.000 0.294 623 W C 2.274 178.561 176.519 -0.387 0.000 1.212 623 W CA 1.080 58.168 57.345 -0.429 0.000 1.271 623 W CB -0.349 28.890 29.460 -0.369 0.000 1.126 623 W HN 0.097 nan 8.180 nan 0.000 0.535 624 L N -0.104 121.079 121.223 -0.067 0.000 2.046 624 L HA -0.215 4.261 4.340 0.227 0.000 0.208 624 L C 2.611 179.406 176.870 -0.125 0.000 1.077 624 L CA 1.178 55.985 54.840 -0.054 0.000 0.747 624 L CB -0.699 41.267 42.059 -0.154 0.000 0.896 624 L HN -0.097 nan 8.230 nan 0.000 0.432 625 R N -0.054 120.252 120.500 -0.324 0.000 2.096 625 R HA -0.155 4.322 4.340 0.227 0.000 0.235 625 R C 2.328 178.360 176.300 -0.446 0.000 1.127 625 R CA 1.317 57.156 56.100 -0.436 0.000 0.968 625 R CB -0.301 29.575 30.300 -0.707 0.000 0.861 625 R HN 0.300 nan 8.270 nan 0.000 0.440 626 Q N -0.306 119.156 119.800 -0.563 0.000 2.096 626 Q HA -0.111 4.365 4.340 0.227 0.000 0.204 626 Q C 2.124 178.041 176.000 -0.139 0.000 0.982 626 Q CA 1.781 57.338 55.803 -0.411 0.000 0.850 626 Q CB -0.323 28.166 28.738 -0.415 0.000 0.901 626 Q HN 0.284 nan 8.270 nan 0.000 0.422 627 V N 0.758 120.641 119.914 -0.052 0.000 2.346 627 V HA -0.205 4.051 4.120 0.227 0.000 0.244 627 V C 2.385 178.588 176.094 0.180 0.000 1.037 627 V CA 1.305 63.621 62.300 0.026 0.000 1.029 627 V CB -0.494 31.286 31.823 -0.072 0.000 0.663 627 V HN 0.301 nan 8.190 nan 0.000 0.454 628 M N -0.203 119.520 119.600 0.204 0.000 2.106 628 M HA -0.233 4.384 4.480 0.227 0.000 0.259 628 M C 1.884 178.321 176.300 0.229 0.000 1.068 628 M CA 1.998 57.449 55.300 0.252 0.000 1.100 628 M CB -0.519 32.069 32.600 -0.020 0.000 1.351 628 M HN 0.331 nan 8.290 nan 0.000 0.404 629 D N -0.594 119.833 120.400 0.046 0.000 2.162 629 D HA -0.034 4.743 4.640 0.227 0.000 0.203 629 D C 2.038 178.362 176.300 0.039 0.000 0.967 629 D CA 1.111 55.113 54.000 0.003 0.000 0.840 629 D CB 0.032 40.766 40.800 -0.110 0.000 0.972 629 D HN 0.319 nan 8.370 nan 0.000 0.482 630 R N -0.793 119.730 120.500 0.037 0.000 2.195 630 R HA 0.225 4.701 4.340 0.227 0.000 0.197 630 R C 1.464 177.791 176.300 0.045 0.000 0.990 630 R CA 0.214 56.329 56.100 0.026 0.000 1.048 630 R CB 0.260 30.560 30.300 0.000 0.000 0.997 630 R HN 0.035 nan 8.270 nan 0.000 0.502 631 M N -0.097 119.550 119.600 0.078 0.000 2.495 631 M HA 0.168 4.784 4.480 0.227 0.000 0.237 631 M C -0.743 175.463 176.300 -0.156 0.000 1.131 631 M CA 0.463 55.747 55.300 -0.027 0.000 1.032 631 M CB 0.168 32.719 32.600 -0.081 0.000 1.513 631 M HN -0.048 nan 8.290 nan 0.000 0.488 632 Y N -0.180 120.125 120.300 0.009 0.000 2.331 632 Y HA 0.394 5.080 4.550 0.227 0.000 0.326 632 Y C 0.463 176.292 175.900 -0.118 0.000 1.020 632 Y CA -1.306 56.744 58.100 -0.084 0.000 1.136 632 Y CB 1.326 39.703 38.460 -0.138 0.000 1.157 632 Y HN 0.010 nan 8.280 nan 0.000 0.444 633 T N -0.444 114.085 114.554 -0.041 0.000 2.942 633 T HA 0.460 4.947 4.350 0.227 0.000 0.289 633 T C -2.452 172.175 174.700 -0.123 0.000 1.044 633 T CA -2.553 59.512 62.100 -0.059 0.000 1.023 633 T CB 2.500 71.337 68.868 -0.052 0.000 1.123 633 T HN 0.292 nan 8.240 nan 0.000 0.512 634 P HA 0.207 nan 4.420 nan 0.000 0.249 634 P C 0.900 178.147 177.300 -0.088 0.000 1.229 634 P CA -0.002 63.049 63.100 -0.082 0.000 0.788 634 P CB -0.263 31.430 31.700 -0.011 0.000 1.072 635 G N 1.736 110.474 108.800 -0.104 0.000 2.588 635 G HA2 0.208 4.304 3.960 0.227 0.000 0.278 635 G HA3 0.208 4.304 3.960 0.227 0.000 0.278 635 G C -1.643 173.153 174.900 -0.174 0.000 1.307 635 G CA -1.095 43.926 45.100 -0.132 0.000 1.016 635 G HN -0.083 nan 8.290 nan 0.000 0.503 636 P HA 0.015 nan 4.420 nan 0.000 0.221 636 P C 0.456 177.661 177.300 -0.157 0.000 1.150 636 P CA 1.063 63.980 63.100 -0.304 0.000 0.800 636 P CB 0.161 31.341 31.700 -0.866 0.000 0.787 637 D N -1.187 119.124 120.400 -0.148 0.000 3.071 637 D HA 0.135 4.911 4.640 0.227 0.000 0.259 637 D C 1.401 177.666 176.300 -0.058 0.000 1.331 637 D CA -0.512 53.456 54.000 -0.053 0.000 0.861 637 D CB -1.017 39.760 40.800 -0.039 0.000 1.059 637 D HN 0.028 nan 8.370 nan 0.000 0.486 638 G N -0.644 108.091 108.800 -0.108 0.000 2.623 638 G HA2 -0.031 4.065 3.960 0.227 0.000 0.214 638 G HA3 -0.031 4.065 3.960 0.227 0.000 0.214 638 G C 0.122 174.833 174.900 -0.314 0.000 1.138 638 G CA 0.106 45.068 45.100 -0.230 0.000 0.794 638 G HN 0.272 nan 8.290 nan 0.000 0.535 639 Y N -1.246 119.011 120.300 -0.073 0.000 2.458 639 Y HA 0.332 5.017 4.550 0.225 0.000 0.322 639 Y C 1.564 177.368 175.900 -0.160 0.000 1.259 639 Y CA -0.978 57.024 58.100 -0.162 0.000 1.302 639 Y CB 1.196 39.599 38.460 -0.095 0.000 1.314 639 Y HN 0.044 nan 8.280 nan 0.000 0.509 640 C N -1.383 117.892 119.300 -0.041 0.000 2.780 640 C HA 0.821 5.417 4.460 0.227 0.000 0.287 640 C C 0.601 175.589 174.990 -0.003 0.000 1.288 640 C CA 0.043 59.036 59.018 -0.040 0.000 1.713 640 C CB -1.467 26.220 27.740 -0.087 0.000 1.955 640 C HN 0.951 nan 8.230 nan 0.000 0.613 641 G N -0.395 108.423 108.800 0.031 0.000 0.000 641 G HA2 0.390 4.486 3.960 0.227 0.000 0.000 641 G HA3 0.390 4.486 3.960 0.227 0.000 0.000 641 G C -2.144 172.775 174.900 0.031 0.000 0.000 641 G CA -0.628 44.502 45.100 0.051 0.000 0.000 641 G HN 0.077 nan 8.290 nan 0.000 0.000 642 D N 0.266 120.721 120.400 0.091 0.000 2.571 642 D HA 0.110 4.886 4.640 0.227 0.000 0.231 642 D C 1.291 177.522 176.300 -0.114 0.000 1.133 642 D CA 0.089 54.121 54.000 0.053 0.000 0.862 642 D CB 1.391 42.317 40.800 0.211 0.000 1.179 642 D HN 0.437 nan 8.370 nan 0.000 0.474 643 E N 1.388 121.436 120.200 -0.253 0.000 2.112 643 E HA -0.151 4.336 4.350 0.227 0.000 0.190 643 E C -0.399 176.101 176.600 -0.167 0.000 0.979 643 E CA 0.456 56.597 56.400 -0.432 0.000 0.814 643 E CB 0.172 29.507 29.700 -0.609 0.000 0.762 643 E HN 0.431 nan 8.360 nan 0.000 0.460 644 D N 0.709 121.065 120.400 -0.072 0.000 2.746 644 D HA -0.220 4.556 4.640 0.227 0.000 0.241 644 D C -0.603 175.686 176.300 -0.018 0.000 1.140 644 D CA 1.036 55.054 54.000 0.031 0.000 0.707 644 D CB -1.872 39.007 40.800 0.131 0.000 1.034 644 D HN 0.440 nan 8.370 nan 0.000 0.423 645 N N -1.512 117.095 118.700 -0.155 0.000 2.741 645 N HA -0.244 4.633 4.740 0.227 0.000 0.250 645 N C 1.081 176.636 175.510 0.075 0.000 1.115 645 N CA 1.533 54.467 53.050 -0.193 0.000 0.724 645 N CB -1.111 37.229 38.487 -0.244 0.000 1.090 645 N HN 0.731 nan 8.380 nan 0.000 0.558 646 G N -1.145 107.692 108.800 0.061 0.000 2.316 646 G HA2 -0.328 3.768 3.960 0.227 0.000 0.203 646 G HA3 -0.328 3.768 3.960 0.227 0.000 0.203 646 G C 0.632 175.620 174.900 0.146 0.000 0.999 646 G CA 0.665 45.833 45.100 0.112 0.000 0.649 646 G HN 0.406 nan 8.290 nan 0.000 0.489 647 Q N 1.291 121.170 119.800 0.131 0.000 2.050 647 Q HA 0.027 4.503 4.340 0.227 0.000 0.202 647 Q C 2.349 178.503 176.000 0.258 0.000 0.980 647 Q CA 3.112 59.020 55.803 0.174 0.000 0.840 647 Q CB -0.870 27.933 28.738 0.107 0.000 0.898 647 Q HN 0.448 nan 8.270 nan 0.000 0.424 648 T N -0.126 114.540 114.554 0.186 0.000 2.995 648 T HA 0.009 4.495 4.350 0.227 0.000 0.269 648 T C 1.826 176.850 174.700 0.541 0.000 1.091 648 T CA 1.020 63.292 62.100 0.287 0.000 1.128 648 T CB -0.152 68.744 68.868 0.047 0.000 0.891 648 T HN 0.232 nan 8.240 nan 0.000 0.492 649 S N 1.402 117.335 115.700 0.388 0.000 2.362 649 S HA 0.104 4.710 4.470 0.227 0.000 0.221 649 S C 2.590 177.420 174.600 0.384 0.000 1.032 649 S CA 0.773 59.233 58.200 0.434 0.000 0.973 649 S CB -0.413 62.949 63.200 0.270 0.000 0.849 649 S HN 0.561 nan 8.310 nan 0.000 0.465 650 A N 0.273 123.289 122.820 0.326 0.000 2.019 650 A HA -0.132 4.324 4.320 0.227 0.000 0.219 650 A C 1.765 179.640 177.584 0.485 0.000 1.164 650 A CA 1.194 53.408 52.037 0.296 0.000 0.644 650 A CB -0.985 18.176 19.000 0.270 0.000 0.805 650 A HN 0.724 nan 8.150 nan 0.000 0.449 651 W N -0.783 120.786 121.300 0.448 0.000 2.335 651 W HA -0.285 4.510 4.660 0.225 0.000 0.311 651 W C 2.021 178.815 176.519 0.458 0.000 1.213 651 W CA 2.118 59.815 57.345 0.586 0.000 1.274 651 W CB -0.398 29.412 29.460 0.584 0.000 1.148 651 W HN 0.460 nan 8.180 nan 0.000 0.498 652 Y N 0.056 120.690 120.300 0.556 0.000 2.242 652 Y HA -0.233 4.450 4.550 0.222 0.000 0.291 652 Y C 2.261 178.192 175.900 0.052 0.000 1.137 652 Y CA 2.334 60.513 58.100 0.132 0.000 1.181 652 Y CB -0.633 37.678 38.460 -0.248 0.000 0.989 652 Y HN -0.178 nan 8.280 nan 0.000 0.527 653 V N -0.542 119.462 119.914 0.151 0.000 2.343 653 V HA -0.298 3.959 4.120 0.227 0.000 0.247 653 V C 2.031 178.083 176.094 -0.070 0.000 1.051 653 V CA 1.963 64.230 62.300 -0.055 0.000 1.036 653 V CB -0.857 30.796 31.823 -0.283 0.000 0.654 653 V HN 0.302 nan 8.190 nan 0.000 0.451 654 F N 0.779 120.673 119.950 -0.093 0.000 2.084 654 F HA -0.131 4.531 4.527 0.226 0.000 0.296 654 F C 2.757 178.330 175.800 -0.378 0.000 1.111 654 F CA 1.904 59.746 58.000 -0.264 0.000 1.224 654 F CB -0.838 38.058 39.000 -0.174 0.000 0.991 654 F HN 0.011 nan 8.300 nan 0.000 0.471 655 S N -0.211 115.372 115.700 -0.196 0.000 2.382 655 S HA -0.176 4.431 4.470 0.227 0.000 0.228 655 S C 2.271 176.686 174.600 -0.308 0.000 1.027 655 S CA 0.993 58.989 58.200 -0.340 0.000 0.991 655 S CB -0.681 62.012 63.200 -0.845 0.000 0.823 655 S HN 0.364 nan 8.310 nan 0.000 0.469 656 A N 1.150 123.757 122.820 -0.355 0.000 1.969 656 A HA 0.064 4.520 4.320 0.227 0.000 0.218 656 A C 2.047 179.523 177.584 -0.181 0.000 1.169 656 A CA 0.907 52.742 52.037 -0.337 0.000 0.635 656 A CB -0.545 18.275 19.000 -0.300 0.000 0.810 656 A HN 0.457 nan 8.150 nan 0.000 0.445 657 L N -1.827 119.278 121.223 -0.196 0.000 2.093 657 L HA 0.056 4.532 4.340 0.227 0.000 0.208 657 L C 1.825 178.564 176.870 -0.218 0.000 1.085 657 L CA 1.154 55.844 54.840 -0.250 0.000 0.755 657 L CB -0.263 41.510 42.059 -0.477 0.000 0.904 657 L HN 0.606 nan 8.230 nan 0.000 0.435 658 G N -0.792 107.843 108.800 -0.275 0.000 2.174 658 G HA2 -0.131 3.966 3.960 0.227 0.000 0.140 658 G HA3 -0.131 3.966 3.960 0.227 0.000 0.140 658 G C -0.182 174.855 174.900 0.228 0.000 1.031 658 G CA -0.188 44.919 45.100 0.011 0.000 0.728 658 G HN 0.251 nan 8.290 nan 0.000 0.496 659 F N -2.017 118.054 119.950 0.200 0.000 2.719 659 F HA 0.813 5.471 4.527 0.218 0.000 0.309 659 F C -1.337 174.501 175.800 0.063 0.000 1.138 659 F CA -2.546 55.565 58.000 0.186 0.000 0.943 659 F CB 0.994 40.094 39.000 0.166 0.000 1.304 659 F HN 0.227 nan 8.300 nan 0.000 0.445 660 Y N 1.829 122.049 120.300 -0.132 0.000 2.479 660 Y HA 0.607 5.300 4.550 0.238 0.000 0.338 660 Y C -2.889 172.771 175.900 -0.401 0.000 1.055 660 Y CA -2.397 55.334 58.100 -0.615 0.000 1.023 660 Y CB 3.307 40.977 38.460 -1.318 0.000 1.287 660 Y HN 0.455 nan 8.280 nan 0.000 0.447 661 P HA 0.080 nan 4.420 nan 0.000 0.238 661 P C 0.416 177.496 177.300 -0.367 0.000 1.794 661 P CA 0.260 63.004 63.100 -0.594 0.000 1.088 661 P CB 0.672 31.980 31.700 -0.654 0.000 1.923 662 V N 1.037 120.955 119.914 0.005 0.000 2.407 662 V HA -0.179 4.078 4.120 0.227 0.000 0.248 662 V C 1.466 177.639 176.094 0.131 0.000 1.055 662 V CA 1.710 64.167 62.300 0.262 0.000 1.049 662 V CB -0.317 31.734 31.823 0.380 0.000 0.662 662 V HN 0.537 nan 8.190 nan 0.000 0.455 663 C N 2.065 121.391 119.300 0.044 0.000 3.003 663 C HA 0.500 5.097 4.460 0.227 0.000 0.241 663 C C -2.598 172.424 174.990 0.054 0.000 1.224 663 C CA -2.313 56.726 59.018 0.034 0.000 1.560 663 C CB -0.462 27.307 27.740 0.048 0.000 1.768 663 C HN 0.296 nan 8.230 nan 0.000 0.440 664 P HA 0.283 nan 4.420 nan 0.000 0.265 664 P C 0.949 178.399 177.300 0.250 0.000 1.187 664 P CA 2.063 65.210 63.100 0.078 0.000 0.766 664 P CB 0.454 32.225 31.700 0.118 0.000 0.820 665 G N 0.839 109.707 108.800 0.114 0.000 2.279 665 G HA2 -0.202 3.895 3.960 0.227 0.000 0.223 665 G HA3 -0.202 3.895 3.960 0.227 0.000 0.223 665 G C 0.357 175.350 174.900 0.156 0.000 1.015 665 G CA 0.290 45.468 45.100 0.130 0.000 0.621 665 G HN 0.875 nan 8.290 nan 0.000 0.506 666 T N -0.604 114.052 114.554 0.171 0.000 2.881 666 T HA 0.518 5.005 4.350 0.227 0.000 0.278 666 T C 0.803 175.411 174.700 -0.153 0.000 0.982 666 T CA 0.578 62.666 62.100 -0.020 0.000 0.989 666 T CB 1.719 70.528 68.868 -0.097 0.000 1.058 666 T HN 0.372 nan 8.240 nan 0.000 0.529 667 D N -0.697 119.605 120.400 -0.163 0.000 2.336 667 D HA 0.086 4.862 4.640 0.227 0.000 0.228 667 D C 0.014 176.183 176.300 -0.218 0.000 1.120 667 D CA -0.261 53.624 54.000 -0.192 0.000 0.839 667 D CB -0.105 40.648 40.800 -0.078 0.000 0.932 667 D HN 0.737 nan 8.370 nan 0.000 0.509 668 E N -0.249 119.784 120.200 -0.278 0.000 2.202 668 E HA 0.401 4.888 4.350 0.227 0.000 0.272 668 E C -1.057 175.301 176.600 -0.403 0.000 0.951 668 E CA -0.862 55.431 56.400 -0.178 0.000 0.813 668 E CB 1.441 31.091 29.700 -0.085 0.000 1.151 668 E HN 0.113 nan 8.360 nan 0.000 0.398 669 Y N 0.189 120.544 120.300 0.092 0.000 2.326 669 Y HA 0.249 4.928 4.550 0.216 0.000 0.331 669 Y C -0.174 175.823 175.900 0.162 0.000 0.962 669 Y CA -1.027 57.112 58.100 0.065 0.000 1.167 669 Y CB 1.301 39.795 38.460 0.057 0.000 1.148 669 Y HN 0.210 nan 8.280 nan 0.000 0.463 670 V N 4.460 124.530 119.914 0.260 0.000 2.686 670 V HA 0.074 4.330 4.120 0.227 0.000 0.295 670 V C 0.337 176.666 176.094 0.392 0.000 1.055 670 V CA -0.526 61.958 62.300 0.306 0.000 1.050 670 V CB 0.859 32.877 31.823 0.325 0.000 0.984 670 V HN 0.715 nan 8.190 nan 0.000 0.482 671 M N 4.309 124.149 119.600 0.399 0.000 2.200 671 M HA 0.507 5.124 4.480 0.227 0.000 0.355 671 M C 0.577 177.158 176.300 0.468 0.000 1.283 671 M CA 0.603 56.147 55.300 0.406 0.000 1.124 671 M CB 0.675 33.443 32.600 0.279 0.000 1.625 671 M HN 0.804 nan 8.290 nan 0.000 0.463 672 G N 1.573 110.657 108.800 0.474 0.000 3.306 672 G HA2 0.498 4.594 3.960 0.227 0.000 0.202 672 G HA3 0.498 4.594 3.960 0.227 0.000 0.202 672 G C -0.871 174.124 174.900 0.158 0.000 1.673 672 G CA -0.014 45.265 45.100 0.297 0.000 0.776 672 G HN 0.637 nan 8.290 nan 0.000 0.740 673 T N 1.617 116.218 114.554 0.077 0.000 2.993 673 T HA 0.615 5.102 4.350 0.227 0.000 0.312 673 T C -3.063 171.626 174.700 -0.017 0.000 1.115 673 T CA -1.187 60.942 62.100 0.049 0.000 1.027 673 T CB 2.217 71.107 68.868 0.037 0.000 1.116 673 T HN 0.229 nan 8.240 nan 0.000 0.464 674 P HA 0.290 nan 4.420 nan 0.000 0.278 674 P C 0.304 177.519 177.300 -0.143 0.000 1.238 674 P CA -0.586 62.477 63.100 -0.061 0.000 0.794 674 P CB 1.303 33.003 31.700 -0.000 0.000 0.955 675 L N 1.815 122.875 121.223 -0.272 0.000 2.298 675 L HA 0.312 4.789 4.340 0.227 0.000 0.209 675 L C 0.485 176.986 176.870 -0.615 0.000 1.084 675 L CA 1.042 55.574 54.840 -0.513 0.000 0.816 675 L CB -0.358 41.211 42.059 -0.816 0.000 0.967 675 L HN 0.175 nan 8.230 nan 0.000 0.460 676 F N -0.763 119.087 119.950 -0.167 0.000 2.450 676 F HA 0.334 4.997 4.527 0.227 0.000 0.328 676 F C 1.625 177.378 175.800 -0.077 0.000 1.068 676 F CA -0.620 57.302 58.000 -0.129 0.000 1.007 676 F CB 0.635 39.543 39.000 -0.153 0.000 1.251 676 F HN -0.336 nan 8.300 nan 0.000 0.492 677 K N 0.080 120.575 120.400 0.159 0.000 2.097 677 K HA -0.086 4.371 4.320 0.227 0.000 0.205 677 K C 0.257 176.906 176.600 0.080 0.000 1.050 677 K CA 1.338 57.679 56.287 0.089 0.000 0.938 677 K CB 0.127 32.676 32.500 0.082 0.000 0.718 677 K HN 0.390 nan 8.250 nan 0.000 0.442 678 K N -0.302 120.154 120.400 0.094 0.000 2.513 678 K HA 0.464 4.920 4.320 0.227 0.000 0.251 678 K C -2.063 174.522 176.600 -0.025 0.000 0.939 678 K CA -0.549 55.758 56.287 0.034 0.000 0.793 678 K CB 2.142 34.659 32.500 0.029 0.000 1.241 678 K HN 0.011 nan 8.250 nan 0.000 0.431 679 A N 2.263 125.047 122.820 -0.060 0.000 2.393 679 A HA 0.637 5.094 4.320 0.227 0.000 0.306 679 A C -1.194 176.297 177.584 -0.155 0.000 1.050 679 A CA -0.611 51.334 52.037 -0.153 0.000 0.724 679 A CB 1.862 20.777 19.000 -0.142 0.000 1.248 679 A HN 0.562 nan 8.150 nan 0.000 0.424 680 T N 3.563 117.978 114.554 -0.231 0.000 2.864 680 T HA 0.485 4.972 4.350 0.227 0.000 0.299 680 T C -0.456 173.922 174.700 -0.537 0.000 1.011 680 T CA -0.211 61.698 62.100 -0.319 0.000 0.975 680 T CB 0.285 68.984 68.868 -0.282 0.000 0.962 680 T HN 0.494 nan 8.240 nan 0.000 0.448 681 L N 4.113 125.012 121.223 -0.540 0.000 2.292 681 L HA 0.515 4.991 4.340 0.227 0.000 0.284 681 L C 0.098 176.367 176.870 -1.002 0.000 1.065 681 L CA -0.951 53.458 54.840 -0.718 0.000 0.806 681 L CB 0.465 42.128 42.059 -0.659 0.000 1.175 681 L HN 0.535 nan 8.230 nan 0.000 0.431 682 H N 3.781 122.509 119.070 -0.570 0.000 2.595 682 H HA 0.383 5.072 4.556 0.222 0.000 0.313 682 H C -0.560 174.481 175.328 -0.478 0.000 1.023 682 H CA -0.522 55.250 56.048 -0.461 0.000 1.218 682 H CB 0.956 30.590 29.762 -0.214 0.000 1.403 682 H HN 0.319 nan 8.280 nan 0.000 0.477 683 F N 0.674 120.599 119.950 -0.042 0.000 2.370 683 F HA 0.131 4.782 4.527 0.206 0.000 0.324 683 F C 1.999 177.689 175.800 -0.183 0.000 1.116 683 F CA -0.643 57.251 58.000 -0.178 0.000 1.123 683 F CB 0.868 39.643 39.000 -0.374 0.000 1.238 683 F HN 0.475 nan 8.300 nan 0.000 0.536 684 E N 0.543 120.742 120.200 -0.001 0.000 2.209 684 E HA -0.244 4.242 4.350 0.227 0.000 0.196 684 E C 1.419 177.975 176.600 -0.073 0.000 0.993 684 E CA 1.432 57.813 56.400 -0.031 0.000 0.819 684 E CB -0.346 29.349 29.700 -0.008 0.000 0.745 684 E HN 0.689 nan 8.360 nan 0.000 0.477 685 N N -0.669 117.927 118.700 -0.174 0.000 2.521 685 N HA -0.051 4.826 4.740 0.227 0.000 0.188 685 N C 1.298 176.768 175.510 -0.067 0.000 1.146 685 N CA 0.547 53.503 53.050 -0.157 0.000 0.893 685 N CB 0.489 38.804 38.487 -0.287 0.000 0.975 685 N HN 0.151 nan 8.380 nan 0.000 0.451 686 G N 0.134 108.921 108.800 -0.022 0.000 2.213 686 G HA2 -0.237 3.860 3.960 0.227 0.000 0.236 686 G HA3 -0.237 3.860 3.960 0.227 0.000 0.236 686 G C -0.224 174.701 174.900 0.041 0.000 0.991 686 G CA -0.303 44.800 45.100 0.005 0.000 0.629 686 G HN 0.382 nan 8.290 nan 0.000 0.517 687 N N 0.570 119.316 118.700 0.077 0.000 2.463 687 N HA 0.675 5.551 4.740 0.227 0.000 0.270 687 N C -0.178 175.442 175.510 0.184 0.000 1.205 687 N CA 0.363 53.496 53.050 0.139 0.000 0.974 687 N CB 1.381 39.962 38.487 0.156 0.000 1.197 687 N HN 0.232 nan 8.380 nan 0.000 0.504 688 S N 0.117 115.906 115.700 0.148 0.000 2.570 688 S HA 0.605 5.211 4.470 0.227 0.000 0.286 688 S C -1.168 173.473 174.600 0.069 0.000 1.099 688 S CA -0.591 57.625 58.200 0.026 0.000 0.913 688 S CB 1.851 65.090 63.200 0.066 0.000 1.085 688 S HN 0.397 nan 8.310 nan 0.000 0.480 689 L N 2.631 123.816 121.223 -0.063 0.000 2.376 689 L HA 0.683 5.159 4.340 0.227 0.000 0.275 689 L C -1.428 175.402 176.870 -0.067 0.000 0.987 689 L CA -0.443 54.422 54.840 0.042 0.000 0.828 689 L CB 1.529 43.705 42.059 0.194 0.000 1.249 689 L HN 0.451 nan 8.230 nan 0.000 0.409 690 V N 6.612 126.510 119.914 -0.025 0.000 2.370 690 V HA 0.431 4.687 4.120 0.227 0.000 0.279 690 V C 0.199 176.272 176.094 -0.034 0.000 1.029 690 V CA -0.329 61.946 62.300 -0.042 0.000 0.870 690 V CB 1.382 33.196 31.823 -0.014 0.000 0.984 690 V HN 0.573 nan 8.190 nan 0.000 0.451 691 I N 4.063 124.611 120.570 -0.036 0.000 2.337 691 I HA 0.326 4.633 4.170 0.227 0.000 0.285 691 I C -0.449 175.666 176.117 -0.004 0.000 1.041 691 I CA -0.219 61.069 61.300 -0.019 0.000 1.199 691 I CB 1.146 39.156 38.000 0.016 0.000 1.370 691 I HN 0.493 nan 8.210 nan 0.000 0.470 692 D N 6.433 126.832 120.400 -0.001 0.000 2.412 692 D HA 0.437 5.213 4.640 0.227 0.000 0.224 692 D C -0.191 176.120 176.300 0.018 0.000 1.093 692 D CA -0.143 53.864 54.000 0.012 0.000 0.850 692 D CB 1.610 42.418 40.800 0.013 0.000 1.046 692 D HN 0.593 nan 8.370 nan 0.000 0.507 693 A N 5.268 128.103 122.820 0.024 0.000 3.047 693 A HA 0.430 4.886 4.320 0.227 0.000 0.337 693 A C -1.693 175.904 177.584 0.022 0.000 1.143 693 A CA -1.099 50.951 52.037 0.023 0.000 0.905 693 A CB 0.707 19.719 19.000 0.020 0.000 1.088 693 A HN 0.314 nan 8.150 nan 0.000 0.488 694 P HA -0.199 nan 4.420 nan 0.000 0.216 694 P C 1.022 178.331 177.300 0.015 0.000 1.157 694 P CA 1.502 64.615 63.100 0.022 0.000 0.880 694 P CB 0.220 31.931 31.700 0.019 0.000 0.791 695 N N -1.372 117.333 118.700 0.008 0.000 2.370 695 N HA -0.018 4.858 4.740 0.227 0.000 0.198 695 N C 0.183 175.687 175.510 -0.010 0.000 1.156 695 N CA -0.163 52.886 53.050 -0.001 0.000 0.839 695 N CB -0.949 37.535 38.487 -0.005 0.000 0.989 695 N HN -0.068 nan 8.380 nan 0.000 0.468 696 N N 0.325 119.021 118.700 -0.007 0.000 2.395 696 N HA 0.017 4.893 4.740 0.227 0.000 0.246 696 N C -0.561 174.931 175.510 -0.030 0.000 1.246 696 N CA 0.439 53.476 53.050 -0.022 0.000 0.879 696 N CB 0.541 39.013 38.487 -0.025 0.000 1.098 696 N HN 0.362 nan 8.380 nan 0.000 0.444 697 S N -0.157 115.519 115.700 -0.040 0.000 2.655 697 S HA 0.259 4.866 4.470 0.227 0.000 0.266 697 S C 0.820 175.404 174.600 -0.027 0.000 1.149 697 S CA -0.279 57.898 58.200 -0.039 0.000 0.818 697 S CB 0.190 63.372 63.200 -0.030 0.000 1.130 697 S HN 0.400 nan 8.310 nan 0.000 0.476 698 T N 1.381 115.920 114.554 -0.025 0.000 2.737 698 T HA -0.076 4.410 4.350 0.227 0.000 0.269 698 T C 1.234 175.988 174.700 0.090 0.000 1.040 698 T CA 2.294 64.393 62.100 -0.001 0.000 1.142 698 T CB -0.542 68.314 68.868 -0.020 0.000 0.861 698 T HN 0.692 nan 8.240 nan 0.000 0.456 699 E N 1.202 121.425 120.200 0.038 0.000 2.170 699 E HA 0.095 4.581 4.350 0.227 0.000 0.191 699 E C 0.493 176.972 176.600 -0.202 0.000 0.981 699 E CA 0.416 56.817 56.400 0.002 0.000 0.830 699 E CB -0.066 29.614 29.700 -0.032 0.000 0.775 699 E HN 0.579 nan 8.360 nan 0.000 0.470 700 N N 0.793 119.402 118.700 -0.151 0.000 2.949 700 N HA 0.148 5.024 4.740 0.227 0.000 0.243 700 N C -0.677 174.710 175.510 -0.204 0.000 1.113 700 N CA -0.267 52.643 53.050 -0.235 0.000 0.980 700 N CB 0.282 38.704 38.487 -0.109 0.000 1.256 700 N HN 0.126 nan 8.380 nan 0.000 0.508 701 F N -1.735 118.084 119.950 -0.218 0.000 2.682 701 F HA 0.426 5.090 4.527 0.227 0.000 0.308 701 F C -0.356 175.271 175.800 -0.287 0.000 1.093 701 F CA -0.944 56.884 58.000 -0.286 0.000 1.244 701 F CB -0.357 38.409 39.000 -0.390 0.000 1.052 701 F HN 0.050 nan 8.300 nan 0.000 0.573 702 Y N 1.898 122.096 120.300 -0.170 0.000 2.307 702 Y HA 0.518 5.204 4.550 0.228 0.000 0.324 702 Y C 0.403 176.302 175.900 -0.001 0.000 1.238 702 Y CA -1.702 56.382 58.100 -0.028 0.000 1.280 702 Y CB 0.764 39.162 38.460 -0.103 0.000 1.248 702 Y HN -0.120 nan 8.280 nan 0.000 0.508 703 I N 1.956 122.667 120.570 0.235 0.000 2.312 703 I HA 0.103 4.409 4.170 0.227 0.000 0.290 703 I C 0.335 176.522 176.117 0.116 0.000 1.008 703 I CA -0.086 61.301 61.300 0.145 0.000 1.226 703 I CB 1.312 39.398 38.000 0.143 0.000 1.371 703 I HN 0.693 nan 8.210 nan 0.000 0.468 704 D N 3.817 124.258 120.400 0.068 0.000 2.249 704 D HA -0.016 4.761 4.640 0.227 0.000 0.205 704 D C 0.198 176.520 176.300 0.036 0.000 0.962 704 D CA 0.700 54.719 54.000 0.032 0.000 0.860 704 D CB 0.553 41.356 40.800 0.005 0.000 0.955 704 D HN 0.606 nan 8.370 nan 0.000 0.505 705 S N -1.932 113.798 115.700 0.049 0.000 2.633 705 S HA 0.448 5.054 4.470 0.227 0.000 0.271 705 S C -1.008 173.632 174.600 0.066 0.000 1.112 705 S CA -1.115 57.117 58.200 0.053 0.000 0.828 705 S CB 1.011 64.234 63.200 0.039 0.000 1.086 705 S HN 0.024 nan 8.310 nan 0.000 0.461 706 M N 1.933 121.583 119.600 0.083 0.000 2.501 706 M HA 0.634 5.251 4.480 0.227 0.000 0.293 706 M C -1.211 175.163 176.300 0.124 0.000 1.192 706 M CA -0.382 54.980 55.300 0.103 0.000 0.886 706 M CB 2.639 35.331 32.600 0.155 0.000 1.710 706 M HN 1.051 nan 8.290 nan 0.000 0.457 707 S N 1.451 117.211 115.700 0.099 0.000 2.526 707 S HA 0.690 5.296 4.470 0.227 0.000 0.293 707 S C -1.319 173.359 174.600 0.130 0.000 1.092 707 S CA -0.700 57.575 58.200 0.124 0.000 0.980 707 S CB 1.967 65.223 63.200 0.094 0.000 1.048 707 S HN 0.545 nan 8.310 nan 0.000 0.483 708 F N 2.739 122.667 119.950 -0.037 0.000 2.311 708 F HA 0.468 5.130 4.527 0.225 0.000 0.371 708 F C 0.227 175.993 175.800 -0.057 0.000 1.083 708 F CA -1.442 56.492 58.000 -0.110 0.000 1.113 708 F CB -0.853 37.974 39.000 -0.287 0.000 1.349 708 F HN 0.981 nan 8.300 nan 0.000 0.470 709 N N 3.816 122.731 118.700 0.359 0.000 2.727 709 N HA -0.179 4.697 4.740 0.227 0.000 0.251 709 N C 1.000 176.560 175.510 0.084 0.000 1.040 709 N CA 0.752 53.900 53.050 0.163 0.000 0.712 709 N CB -0.970 37.558 38.487 0.069 0.000 0.912 709 N HN 1.095 nan 8.380 nan 0.000 0.545 710 G N -1.418 107.435 108.800 0.088 0.000 2.383 710 G HA2 -0.270 3.826 3.960 0.227 0.000 0.229 710 G HA3 -0.270 3.826 3.960 0.227 0.000 0.229 710 G C 0.315 175.252 174.900 0.062 0.000 1.089 710 G CA 0.292 45.428 45.100 0.060 0.000 0.640 710 G HN 1.101 nan 8.290 nan 0.000 0.510 711 A N 0.663 123.524 122.820 0.068 0.000 2.409 711 A HA 0.550 5.007 4.320 0.227 0.000 0.262 711 A C 0.201 177.853 177.584 0.112 0.000 1.113 711 A CA 0.706 52.785 52.037 0.069 0.000 0.790 711 A CB 0.326 19.352 19.000 0.043 0.000 1.046 711 A HN 0.594 nan 8.150 nan 0.000 0.496 712 D N 0.702 121.160 120.400 0.097 0.000 2.488 712 D HA 0.020 4.797 4.640 0.227 0.000 0.238 712 D C -0.049 176.358 176.300 0.178 0.000 1.138 712 D CA 1.250 55.317 54.000 0.112 0.000 0.873 712 D CB 0.125 40.966 40.800 0.069 0.000 1.183 712 D HN 0.546 nan 8.370 nan 0.000 0.458 713 H N 2.493 121.592 119.070 0.050 0.000 2.854 713 H HA 0.175 4.868 4.556 0.227 0.000 0.275 713 H C 0.130 175.471 175.328 0.021 0.000 1.198 713 H CA -0.222 55.850 56.048 0.040 0.000 1.489 713 H CB 0.683 30.489 29.762 0.073 0.000 1.519 713 H HN 0.476 nan 8.280 nan 0.000 0.503 714 T N 0.830 115.276 114.554 -0.181 0.000 3.107 714 T HA 0.184 4.670 4.350 0.227 0.000 0.249 714 T C 0.572 175.122 174.700 -0.249 0.000 1.096 714 T CA -0.361 61.654 62.100 -0.142 0.000 1.012 714 T CB 0.239 69.077 68.868 -0.050 0.000 0.977 714 T HN 0.349 nan 8.240 nan 0.000 0.527 715 K N 1.700 121.756 120.400 -0.574 0.000 2.202 715 K HA 0.238 4.694 4.320 0.227 0.000 0.264 715 K C 0.044 176.437 176.600 -0.345 0.000 1.010 715 K CA -0.184 55.797 56.287 -0.509 0.000 0.940 715 K CB 0.463 32.497 32.500 -0.777 0.000 0.983 715 K HN 0.247 nan 8.250 nan 0.000 0.475 716 N N 1.087 119.735 118.700 -0.086 0.000 2.322 716 N HA 0.038 4.914 4.740 0.227 0.000 0.216 716 N C -1.215 174.419 175.510 0.207 0.000 1.144 716 N CA -0.153 52.939 53.050 0.069 0.000 0.830 716 N CB 0.007 38.545 38.487 0.084 0.000 1.034 716 N HN 0.415 nan 8.380 nan 0.000 0.484 717 Y N -2.266 118.083 120.300 0.082 0.000 2.656 717 Y HA 0.602 5.287 4.550 0.225 0.000 0.334 717 Y C -1.860 174.188 175.900 0.247 0.000 1.179 717 Y CA -1.496 56.692 58.100 0.146 0.000 1.050 717 Y CB 0.963 39.471 38.460 0.081 0.000 1.308 717 Y HN -0.302 nan 8.280 nan 0.000 0.456 718 L N 2.547 123.951 121.223 0.303 0.000 2.354 718 L HA 0.725 5.201 4.340 0.227 0.000 0.264 718 L C -0.586 176.495 176.870 0.351 0.000 1.008 718 L CA -1.195 53.762 54.840 0.196 0.000 0.819 718 L CB 2.475 44.486 42.059 -0.079 0.000 1.339 718 L HN 0.702 nan 8.230 nan 0.000 0.420 719 R N -0.502 120.175 120.500 0.296 0.000 2.532 719 R HA 0.292 4.769 4.340 0.227 0.000 0.295 719 R C 0.296 176.728 176.300 0.219 0.000 0.968 719 R CA -0.876 55.388 56.100 0.273 0.000 0.916 719 R CB 1.781 32.219 30.300 0.230 0.000 1.124 719 R HN 0.534 nan 8.270 nan 0.000 0.463 720 H N 2.362 121.489 119.070 0.095 0.000 2.252 720 H HA -0.249 4.435 4.556 0.214 0.000 0.292 720 H C 1.831 177.029 175.328 -0.216 0.000 1.082 720 H CA 2.641 58.664 56.048 -0.042 0.000 1.229 720 H CB 0.265 29.925 29.762 -0.171 0.000 1.353 720 H HN 0.800 nan 8.280 nan 0.000 0.488 721 E N -0.374 119.778 120.200 -0.079 0.000 2.209 721 E HA -0.225 4.262 4.350 0.227 0.000 0.196 721 E C 1.322 177.892 176.600 -0.050 0.000 0.993 721 E CA 1.590 57.938 56.400 -0.087 0.000 0.819 721 E CB -0.091 29.610 29.700 0.002 0.000 0.745 721 E HN 0.570 nan 8.360 nan 0.000 0.477 722 D N 0.674 121.064 120.400 -0.016 0.000 2.149 722 D HA -0.078 4.699 4.640 0.227 0.000 0.201 722 D C 2.183 178.550 176.300 0.113 0.000 0.972 722 D CA 0.809 54.805 54.000 -0.007 0.000 0.835 722 D CB -0.129 40.672 40.800 0.001 0.000 0.966 722 D HN 0.286 nan 8.370 nan 0.000 0.476 723 L N -0.144 121.124 121.223 0.075 0.000 1.994 723 L HA -0.147 4.330 4.340 0.227 0.000 0.208 723 L C 2.331 179.148 176.870 -0.089 0.000 1.071 723 L CA 0.713 55.585 54.840 0.053 0.000 0.745 723 L CB -0.497 41.483 42.059 -0.132 0.000 0.892 723 L HN -0.049 nan 8.230 nan 0.000 0.431 724 F N 1.039 120.612 119.950 -0.628 0.000 2.271 724 F HA -0.237 4.411 4.527 0.202 0.000 0.302 724 F C 2.344 177.981 175.800 -0.272 0.000 1.063 724 F CA 1.237 58.800 58.000 -0.729 0.000 1.362 724 F CB -0.638 38.021 39.000 -0.569 0.000 1.060 724 F HN 0.070 nan 8.300 nan 0.000 0.521 725 K N -0.399 120.026 120.400 0.041 0.000 2.418 725 K HA 0.228 4.685 4.320 0.227 0.000 0.195 725 K C 1.245 177.906 176.600 0.102 0.000 1.035 725 K CA 0.546 56.860 56.287 0.045 0.000 1.003 725 K CB -0.294 32.206 32.500 -0.000 0.000 0.793 725 K HN 0.334 nan 8.250 nan 0.000 0.494 726 G N 0.285 109.203 108.800 0.198 0.000 2.750 726 G HA2 -0.021 4.075 3.960 0.227 0.000 0.228 726 G HA3 -0.021 4.075 3.960 0.227 0.000 0.228 726 G C 0.229 175.259 174.900 0.217 0.000 1.367 726 G CA -0.399 44.857 45.100 0.259 0.000 0.871 726 G HN 0.611 nan 8.290 nan 0.000 0.560 727 G N -3.035 105.870 108.800 0.176 0.000 2.358 727 G HA2 0.539 4.636 3.960 0.227 0.000 0.198 727 G HA3 0.539 4.636 3.960 0.227 0.000 0.198 727 G C -0.271 174.713 174.900 0.140 0.000 1.220 727 G CA 0.555 45.751 45.100 0.159 0.000 1.187 727 G HN 2.319 nan 8.290 nan 0.000 0.544 728 T N 0.630 115.277 114.554 0.156 0.000 2.971 728 T HA 0.640 5.127 4.350 0.227 0.000 0.304 728 T C -0.321 174.412 174.700 0.054 0.000 1.038 728 T CA -0.279 61.869 62.100 0.080 0.000 1.007 728 T CB 1.448 70.357 68.868 0.067 0.000 1.055 728 T HN 0.634 nan 8.240 nan 0.000 0.451 729 I N 2.703 123.230 120.570 -0.071 0.000 2.441 729 I HA 0.475 4.781 4.170 0.227 0.000 0.295 729 I C -0.048 176.037 176.117 -0.053 0.000 0.994 729 I CA -0.890 60.316 61.300 -0.156 0.000 1.144 729 I CB 1.877 39.661 38.000 -0.361 0.000 1.314 729 I HN 0.297 nan 8.210 nan 0.000 0.445 730 K N 5.054 125.445 120.400 -0.015 0.000 2.358 730 K HA 0.598 5.054 4.320 0.227 0.000 0.260 730 K C -1.338 175.276 176.600 0.023 0.000 0.956 730 K CA -0.575 55.719 56.287 0.013 0.000 0.834 730 K CB 2.336 34.853 32.500 0.029 0.000 1.102 730 K HN 0.285 nan 8.250 nan 0.000 0.431 731 V N 2.691 122.620 119.914 0.025 0.000 2.384 731 V HA 0.185 4.442 4.120 0.227 0.000 0.287 731 V C -0.496 175.618 176.094 0.034 0.000 1.020 731 V CA -0.977 61.346 62.300 0.038 0.000 0.850 731 V CB 1.465 33.315 31.823 0.044 0.000 0.987 731 V HN 0.684 nan 8.190 nan 0.000 0.436 732 D N 5.755 126.177 120.400 0.036 0.000 2.380 732 D HA 0.337 5.114 4.640 0.227 0.000 0.230 732 D C -0.028 176.287 176.300 0.026 0.000 1.154 732 D CA -0.232 53.783 54.000 0.026 0.000 0.859 732 D CB 1.211 42.024 40.800 0.022 0.000 1.045 732 D HN 0.277 nan 8.370 nan 0.000 0.495 733 M N 1.157 120.766 119.600 0.015 0.000 2.235 733 M HA 0.236 4.853 4.480 0.227 0.000 0.351 733 M C 0.599 176.893 176.300 -0.011 0.000 1.178 733 M CA -0.318 54.986 55.300 0.007 0.000 1.143 733 M CB 1.009 33.603 32.600 -0.010 0.000 1.530 733 M HN 0.184 nan 8.290 nan 0.000 0.461 734 S N 1.527 117.221 115.700 -0.011 0.000 2.651 734 S HA 0.532 5.139 4.470 0.227 0.000 0.279 734 S C 0.200 174.760 174.600 -0.066 0.000 1.148 734 S CA -0.706 57.473 58.200 -0.034 0.000 0.837 734 S CB 1.300 64.484 63.200 -0.026 0.000 1.138 734 S HN 0.746 nan 8.310 nan 0.000 0.478 735 N N 1.329 119.975 118.700 -0.089 0.000 2.270 735 N HA 0.145 5.021 4.740 0.227 0.000 0.198 735 N C -0.369 175.135 175.510 -0.010 0.000 1.117 735 N CA -0.243 52.725 53.050 -0.138 0.000 0.845 735 N CB -0.091 38.313 38.487 -0.139 0.000 0.980 735 N HN 0.343 nan 8.380 nan 0.000 0.486 736 R N 1.381 121.846 120.500 -0.058 0.000 2.514 736 R HA 0.477 4.953 4.340 0.227 0.000 0.301 736 R C -2.679 173.272 176.300 -0.582 0.000 0.962 736 R CA -1.834 54.111 56.100 -0.259 0.000 0.882 736 R CB 1.670 31.848 30.300 -0.203 0.000 1.143 736 R HN 0.141 nan 8.270 nan 0.000 0.452 737 P HA 0.048 nan 4.420 nan 0.000 0.276 737 P C -0.585 176.346 177.300 -0.615 0.000 1.230 737 P CA -0.372 62.040 63.100 -1.145 0.000 0.776 737 P CB 0.645 31.636 31.700 -1.181 0.000 0.888 738 N N 3.704 122.188 118.700 -0.361 0.000 2.500 738 N HA 0.072 4.948 4.740 0.227 0.000 0.236 738 N C 0.871 176.193 175.510 -0.314 0.000 1.022 738 N CA -0.321 52.574 53.050 -0.259 0.000 0.935 738 N CB -0.040 38.393 38.487 -0.089 0.000 1.147 738 N HN 0.138 nan 8.380 nan 0.000 0.512 739 L N 2.425 123.306 121.223 -0.571 0.000 2.551 739 L HA 0.045 4.521 4.340 0.227 0.000 0.228 739 L C 1.136 177.884 176.870 -0.202 0.000 1.153 739 L CA 0.690 55.042 54.840 -0.813 0.000 0.851 739 L CB -0.854 40.762 42.059 -0.738 0.000 0.959 739 L HN 0.523 nan 8.230 nan 0.000 0.451 740 N N -0.350 118.303 118.700 -0.078 0.000 2.482 740 N HA -0.014 4.862 4.740 0.227 0.000 0.179 740 N C 1.050 176.611 175.510 0.085 0.000 1.039 740 N CA 0.027 53.088 53.050 0.018 0.000 0.884 740 N CB 0.337 38.812 38.487 -0.020 0.000 1.113 740 N HN 0.207 nan 8.380 nan 0.000 0.440 741 R N 1.102 121.653 120.500 0.084 0.000 2.538 741 R HA 0.143 4.619 4.340 0.227 0.000 0.282 741 R C 0.512 176.899 176.300 0.146 0.000 1.009 741 R CA 1.084 57.242 56.100 0.097 0.000 1.063 741 R CB -0.096 30.256 30.300 0.087 0.000 0.945 741 R HN 0.387 nan 8.270 nan 0.000 0.414 742 G N 2.901 111.754 108.800 0.087 0.000 2.176 742 G HA2 -0.292 3.804 3.960 0.227 0.000 0.252 742 G HA3 -0.292 3.804 3.960 0.227 0.000 0.252 742 G C 0.491 175.444 174.900 0.089 0.000 1.024 742 G CA 0.688 45.831 45.100 0.072 0.000 0.755 742 G HN 0.759 nan 8.290 nan 0.000 0.507 743 T N -2.940 111.676 114.554 0.103 0.000 3.023 743 T HA 0.398 4.885 4.350 0.227 0.000 0.253 743 T C 0.899 175.640 174.700 0.068 0.000 1.038 743 T CA 0.397 62.559 62.100 0.104 0.000 0.962 743 T CB 0.677 69.632 68.868 0.145 0.000 1.018 743 T HN 0.478 nan 8.240 nan 0.000 0.521 744 K N 1.873 122.304 120.400 0.051 0.000 2.218 744 K HA 0.244 4.700 4.320 0.227 0.000 0.276 744 K C 1.238 177.859 176.600 0.035 0.000 1.022 744 K CA -0.579 55.731 56.287 0.039 0.000 0.946 744 K CB 1.042 33.561 32.500 0.031 0.000 1.000 744 K HN -0.100 nan 8.250 nan 0.000 0.468 745 E N 2.920 123.138 120.200 0.031 0.000 2.147 745 E HA -0.262 4.224 4.350 0.227 0.000 0.199 745 E C 0.819 177.442 176.600 0.038 0.000 1.005 745 E CA 1.883 58.299 56.400 0.026 0.000 0.810 745 E CB 0.225 29.938 29.700 0.020 0.000 0.736 745 E HN 0.697 nan 8.360 nan 0.000 0.460 746 E N -0.139 120.089 120.200 0.047 0.000 2.516 746 E HA -0.108 4.379 4.350 0.227 0.000 0.199 746 E C 1.018 177.676 176.600 0.096 0.000 1.069 746 E CA 0.821 57.264 56.400 0.072 0.000 0.876 746 E CB 0.032 29.767 29.700 0.059 0.000 0.843 746 E HN 0.153 nan 8.360 nan 0.000 0.530 747 D N 0.338 120.778 120.400 0.066 0.000 2.354 747 D HA 0.031 4.807 4.640 0.227 0.000 0.209 747 D C 0.341 176.719 176.300 0.129 0.000 1.015 747 D CA 0.365 54.398 54.000 0.055 0.000 0.867 747 D CB 0.189 40.994 40.800 0.008 0.000 0.933 747 D HN 0.185 nan 8.370 nan 0.000 0.520 748 M N 1.608 121.258 119.600 0.084 0.000 2.233 748 M HA 0.265 4.881 4.480 0.227 0.000 0.350 748 M C -2.142 174.100 176.300 -0.097 0.000 1.176 748 M CA -2.061 53.215 55.300 -0.041 0.000 1.150 748 M CB 0.182 32.743 32.600 -0.065 0.000 1.530 748 M HN -0.280 nan 8.290 nan 0.000 0.459 749 P HA 0.106 nan 4.420 nan 0.000 0.277 749 P C -0.835 176.305 177.300 -0.267 0.000 1.276 749 P CA -0.429 62.351 63.100 -0.533 0.000 0.788 749 P CB 0.274 31.612 31.700 -0.604 0.000 1.114 750 Y N 0.297 120.448 120.300 -0.249 0.000 2.597 750 Y HA 0.214 4.903 4.550 0.231 0.000 0.336 750 Y C -0.285 175.673 175.900 0.097 0.000 1.216 750 Y CA 1.153 59.220 58.100 -0.055 0.000 1.463 750 Y CB 0.210 38.658 38.460 -0.019 0.000 1.303 750 Y HN 0.175 nan 8.280 nan 0.000 0.576 751 S N 7.143 122.506 115.700 -0.561 0.000 2.571 751 S HA 0.162 4.768 4.470 0.227 0.000 0.284 751 S C 0.086 174.224 174.600 -0.769 0.000 1.128 751 S CA -0.813 57.100 58.200 -0.477 0.000 0.970 751 S CB 0.983 64.068 63.200 -0.191 0.000 1.039 751 S HN 0.767 nan 8.310 nan 0.000 0.485 752 F N 3.389 122.947 119.950 -0.653 0.000 2.115 752 F HA -0.183 4.482 4.527 0.229 0.000 0.300 752 F C 2.431 178.153 175.800 -0.130 0.000 1.092 752 F CA 1.978 59.859 58.000 -0.198 0.000 1.245 752 F CB -0.758 38.308 39.000 0.110 0.000 0.995 752 F HN 0.596 nan 8.300 nan 0.000 0.481 753 S N -0.338 115.265 115.700 -0.163 0.000 2.413 753 S HA -0.285 4.321 4.470 0.227 0.000 0.237 753 S C 1.856 176.334 174.600 -0.204 0.000 1.044 753 S CA 1.939 60.015 58.200 -0.206 0.000 1.024 753 S CB -0.317 62.805 63.200 -0.131 0.000 0.829 753 S HN 0.484 nan 8.310 nan 0.000 0.475 754 K N 0.348 120.632 120.400 -0.194 0.000 2.367 754 K HA 0.176 4.633 4.320 0.227 0.000 0.194 754 K C 0.234 176.787 176.600 -0.077 0.000 1.027 754 K CA -0.031 56.178 56.287 -0.129 0.000 1.075 754 K CB 0.319 32.748 32.500 -0.119 0.000 0.845 754 K HN 0.354 nan 8.250 nan 0.000 0.529 755 E N 1.273 121.432 120.200 -0.069 0.000 2.417 755 E HA 0.215 4.701 4.350 0.227 0.000 0.261 755 E C -0.146 176.458 176.600 0.006 0.000 1.000 755 E CA 0.383 56.819 56.400 0.059 0.000 0.919 755 E CB 0.458 30.294 29.700 0.226 0.000 0.955 755 E HN 0.137 nan 8.360 nan 0.000 0.455 756 L N 0.000 121.250 121.223 0.045 0.000 2.949 756 L HA 0.000 4.476 4.340 0.227 0.000 0.249 756 L CA 0.000 54.862 54.840 0.037 0.000 0.813 756 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 756 L HN 0.000 nan 8.230 nan 0.000 0.502