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 2o2i_1_A DATA FIRST_RESID 4 DATA SEQUENCE FGVEPYGQPK YLEIAGKRMA YIDEGKGDAI VFQHGNPTSS YLWRNIMPHL DATA SEQUENCE EGLGRLVACD LIGMGASDKL SPSGPDRYSY GEQRDFLFAL WDALDLGDHV DATA SEQUENCE VLVLHDWGSA LGFDWANQHR DRVQGIAFME AIVTPMTWAD WPPAVRGVFQ DATA SEQUENCE GFRSPQGEPM ALEHNIFVER VLPGAILRQL SDEEMNHYRR PFVNGGEDRR DATA SEQUENCE PTLSWPRNLP IDGEPAEVVA LVNEYRSWLE ETDMPKLFIN AEPGAIITGR DATA SEQUENCE IRDYVRSWPN QTEITVPGVH FVQEDSPEEI GAAIAQFVRR LRS 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.797 175.800 -0.005 0.000 0.967 4 F CA 0.000 58.001 58.000 0.001 0.000 1.383 4 F CB 0.000 39.007 39.000 0.011 0.000 1.145 5 G N 0.746 109.598 108.800 0.087 0.000 2.414 5 G HA2 0.381 4.346 3.960 0.009 0.000 0.236 5 G HA3 0.381 4.346 3.960 0.009 0.000 0.236 5 G C 0.877 175.799 174.900 0.036 0.000 1.293 5 G CA 0.154 45.280 45.100 0.044 0.000 0.869 5 G HN 0.922 nan 8.290 nan 0.000 0.556 6 V N -1.529 118.415 119.914 0.049 0.000 3.431 6 V HA 0.277 4.402 4.120 0.009 0.000 0.253 6 V C 0.581 176.697 176.094 0.037 0.000 1.184 6 V CA 0.275 62.627 62.300 0.086 0.000 1.104 6 V CB -0.011 31.898 31.823 0.143 0.000 0.799 6 V HN 0.429 nan 8.190 nan 0.000 0.462 7 E N 2.169 122.372 120.200 0.004 0.000 2.349 7 E HA 0.422 4.777 4.350 0.009 0.000 0.265 7 E C -2.497 174.063 176.600 -0.067 0.000 1.064 7 E CA -2.359 54.039 56.400 -0.002 0.000 0.886 7 E CB 0.699 30.408 29.700 0.016 0.000 1.036 7 E HN 0.320 nan 8.360 nan 0.000 0.413 8 P HA -0.040 nan 4.420 nan 0.000 0.270 8 P C 0.327 177.627 177.300 0.000 0.000 1.223 8 P CA 0.115 63.214 63.100 -0.003 0.000 0.785 8 P CB 0.334 32.078 31.700 0.073 0.000 0.923 9 Y N 1.540 121.782 120.300 -0.096 0.000 2.263 9 Y HA 0.141 4.696 4.550 0.008 0.000 0.292 9 Y C 1.016 176.877 175.900 -0.065 0.000 1.130 9 Y CA 1.837 59.884 58.100 -0.090 0.000 1.179 9 Y CB -0.288 38.105 38.460 -0.111 0.000 0.998 9 Y HN 0.443 nan 8.280 nan 0.000 0.532 10 G N -0.496 108.219 108.800 -0.142 0.000 2.733 10 G HA2 0.431 4.396 3.960 0.009 0.000 0.288 10 G HA3 0.431 4.396 3.960 0.009 0.000 0.288 10 G C -1.653 173.181 174.900 -0.109 0.000 1.373 10 G CA -0.906 44.067 45.100 -0.212 0.000 0.895 10 G HN -0.077 nan 8.290 nan 0.000 0.479 11 Q N 0.580 120.308 119.800 -0.120 0.000 2.259 11 Q HA 0.367 4.712 4.340 0.009 0.000 0.246 11 Q C -2.114 173.789 176.000 -0.163 0.000 0.920 11 Q CA -1.631 54.112 55.803 -0.099 0.000 0.895 11 Q CB 1.775 30.467 28.738 -0.077 0.000 1.220 11 Q HN 0.363 nan 8.270 nan 0.000 0.439 12 P HA 0.153 nan 4.420 nan 0.000 0.271 12 P C -0.820 176.132 177.300 -0.580 0.000 1.216 12 P CA -0.001 62.844 63.100 -0.424 0.000 0.776 12 P CB 0.960 32.388 31.700 -0.454 0.000 0.881 13 K N 2.034 121.934 120.400 -0.833 0.000 2.221 13 K HA 0.584 4.909 4.320 0.009 0.000 0.243 13 K C -0.840 175.187 176.600 -0.955 0.000 0.968 13 K CA -0.602 55.198 56.287 -0.811 0.000 0.846 13 K CB 1.470 33.415 32.500 -0.925 0.000 1.141 13 K HN 0.383 nan 8.250 nan 0.000 0.434 14 Y N 0.618 120.854 120.300 -0.107 0.000 2.477 14 Y HA 0.500 5.067 4.550 0.028 0.000 0.347 14 Y C -0.640 175.409 175.900 0.249 0.000 0.981 14 Y CA -0.939 57.228 58.100 0.111 0.000 1.033 14 Y CB 1.603 40.097 38.460 0.057 0.000 1.245 14 Y HN 0.184 nan 8.280 nan 0.000 0.455 15 L N 2.501 123.991 121.223 0.445 0.000 2.401 15 L HA 0.458 4.803 4.340 0.009 0.000 0.266 15 L C -0.610 176.398 176.870 0.231 0.000 0.991 15 L CA -0.990 54.027 54.840 0.295 0.000 0.818 15 L CB 2.212 44.414 42.059 0.239 0.000 1.321 15 L HN 0.579 nan 8.230 nan 0.000 0.413 16 E N 4.181 124.482 120.200 0.168 0.000 2.217 16 E HA 0.304 4.659 4.350 0.009 0.000 0.279 16 E C -0.893 175.790 176.600 0.138 0.000 1.068 16 E CA -0.146 56.337 56.400 0.139 0.000 0.882 16 E CB 1.401 31.161 29.700 0.100 0.000 1.039 16 E HN 0.220 nan 8.360 nan 0.000 0.418 17 I N 1.715 122.387 120.570 0.171 0.000 2.439 17 I HA 0.157 4.332 4.170 0.009 0.000 0.285 17 I C 0.622 176.866 176.117 0.211 0.000 1.021 17 I CA -0.654 60.751 61.300 0.174 0.000 1.091 17 I CB 0.941 39.075 38.000 0.224 0.000 1.242 17 I HN 0.608 nan 8.210 nan 0.000 0.439 18 A N 4.865 127.740 122.820 0.091 0.000 2.745 18 A HA -0.067 4.258 4.320 0.009 0.000 0.296 18 A C 1.382 179.057 177.584 0.151 0.000 1.500 18 A CA 1.388 53.445 52.037 0.034 0.000 0.766 18 A CB -1.826 17.043 19.000 -0.218 0.000 1.030 18 A HN 2.100 nan 8.150 nan 0.000 0.489 19 G N -2.580 106.301 108.800 0.136 0.000 2.175 19 G HA2 -0.163 3.803 3.960 0.009 0.000 0.244 19 G HA3 -0.163 3.803 3.960 0.009 0.000 0.244 19 G C -0.071 174.903 174.900 0.123 0.000 0.982 19 G CA 0.802 45.971 45.100 0.115 0.000 0.641 19 G HN 1.145 nan 8.290 nan 0.000 0.527 20 K N -0.082 120.420 120.400 0.171 0.000 2.427 20 K HA 0.458 4.784 4.320 0.009 0.000 0.252 20 K C -0.231 176.436 176.600 0.111 0.000 0.931 20 K CA -0.959 55.386 56.287 0.098 0.000 0.793 20 K CB 2.093 34.596 32.500 0.005 0.000 1.211 20 K HN 0.270 nan 8.250 nan 0.000 0.426 21 R N 3.456 124.003 120.500 0.079 0.000 2.298 21 R HA 0.320 4.666 4.340 0.009 0.000 0.310 21 R C -0.478 175.930 176.300 0.180 0.000 1.068 21 R CA -0.003 56.173 56.100 0.128 0.000 0.957 21 R CB 0.477 30.812 30.300 0.059 0.000 1.003 21 R HN 0.553 nan 8.270 nan 0.000 0.454 22 M N 3.109 122.862 119.600 0.255 0.000 2.456 22 M HA 0.418 4.903 4.480 0.009 0.000 0.324 22 M C -0.470 176.045 176.300 0.357 0.000 1.124 22 M CA -0.872 54.586 55.300 0.263 0.000 0.959 22 M CB 2.257 34.990 32.600 0.222 0.000 1.692 22 M HN 0.636 nan 8.290 nan 0.000 0.444 23 A N 2.871 125.853 122.820 0.269 0.000 2.312 23 A HA 0.859 5.184 4.320 0.009 0.000 0.326 23 A C -1.355 176.329 177.584 0.167 0.000 1.172 23 A CA -0.381 51.670 52.037 0.023 0.000 0.821 23 A CB 0.559 19.525 19.000 -0.056 0.000 1.166 23 A HN 0.865 nan 8.150 nan 0.000 0.493 24 Y N -0.927 119.313 120.300 -0.100 0.000 2.656 24 Y HA 0.744 5.294 4.550 -0.001 0.000 0.334 24 Y C -1.245 174.642 175.900 -0.021 0.000 1.179 24 Y CA -1.430 56.680 58.100 0.016 0.000 1.050 24 Y CB 0.950 39.460 38.460 0.082 0.000 1.308 24 Y HN 0.491 nan 8.280 nan 0.000 0.456 25 I N 2.203 122.844 120.570 0.117 0.000 2.392 25 I HA 0.389 4.564 4.170 0.009 0.000 0.295 25 I C -1.217 175.028 176.117 0.214 0.000 0.985 25 I CA -0.355 60.984 61.300 0.065 0.000 1.221 25 I CB 1.696 39.779 38.000 0.138 0.000 1.366 25 I HN 0.650 nan 8.210 nan 0.000 0.467 26 D N 5.914 126.401 120.400 0.145 0.000 2.478 26 D HA 0.305 4.950 4.640 0.009 0.000 0.240 26 D C -1.209 175.162 176.300 0.119 0.000 1.364 26 D CA -0.297 53.826 54.000 0.204 0.000 0.987 26 D CB 1.261 42.267 40.800 0.344 0.000 1.328 26 D HN 0.322 nan 8.370 nan 0.000 0.584 27 E N 1.627 121.908 120.200 0.136 0.000 2.314 27 E HA 0.660 5.015 4.350 0.009 0.000 0.272 27 E C 0.469 177.135 176.600 0.110 0.000 0.884 27 E CA -0.697 55.767 56.400 0.106 0.000 0.753 27 E CB 1.876 31.653 29.700 0.128 0.000 1.213 27 E HN 0.760 nan 8.360 nan 0.000 0.432 28 G N 2.302 111.145 108.800 0.071 0.000 2.685 28 G HA2 -0.175 3.790 3.960 0.009 0.000 0.387 28 G HA3 -0.175 3.790 3.960 0.009 0.000 0.387 28 G C -0.968 173.960 174.900 0.047 0.000 1.324 28 G CA -0.759 44.377 45.100 0.061 0.000 0.878 28 G HN 0.381 nan 8.290 nan 0.000 0.527 29 K N -0.210 120.211 120.400 0.035 0.000 2.435 29 K HA 0.779 5.104 4.320 0.009 0.000 0.251 29 K C 0.412 177.021 176.600 0.014 0.000 0.954 29 K CA -0.149 56.152 56.287 0.023 0.000 0.820 29 K CB 2.094 34.604 32.500 0.016 0.000 1.292 29 K HN 2.384 nan 8.250 nan 0.000 0.436 30 G N 1.309 110.113 108.800 0.007 0.000 2.342 30 G HA2 -0.138 3.827 3.960 0.009 0.000 0.220 30 G HA3 -0.138 3.827 3.960 0.009 0.000 0.220 30 G C -1.560 173.337 174.900 -0.006 0.000 1.243 30 G CA -0.954 44.142 45.100 -0.006 0.000 1.083 30 G HN 0.541 nan 8.290 nan 0.000 0.500 31 D N 1.171 121.560 120.400 -0.018 0.000 2.399 31 D HA 0.516 5.161 4.640 0.009 0.000 0.241 31 D C 0.949 177.239 176.300 -0.016 0.000 1.133 31 D CA 1.014 55.012 54.000 -0.004 0.000 0.890 31 D CB 1.240 42.032 40.800 -0.013 0.000 1.201 31 D HN 0.960 nan 8.370 nan 0.000 0.432 32 A N 2.304 125.105 122.820 -0.031 0.000 2.363 32 A HA 0.452 4.777 4.320 0.009 0.000 0.270 32 A C 0.148 177.659 177.584 -0.121 0.000 1.121 32 A CA -0.364 51.624 52.037 -0.081 0.000 0.800 32 A CB 0.151 19.066 19.000 -0.142 0.000 1.052 32 A HN 0.531 nan 8.150 nan 0.000 0.493 33 I N 3.168 123.666 120.570 -0.121 0.000 2.411 33 I HA 0.294 4.469 4.170 0.009 0.000 0.284 33 I C -0.894 175.042 176.117 -0.301 0.000 1.012 33 I CA -0.553 60.608 61.300 -0.230 0.000 1.119 33 I CB 1.753 39.659 38.000 -0.157 0.000 1.261 33 I HN 0.257 nan 8.210 nan 0.000 0.448 34 V N 7.016 126.637 119.914 -0.487 0.000 2.357 34 V HA 0.406 4.531 4.120 0.009 0.000 0.284 34 V C -0.453 175.325 176.094 -0.526 0.000 1.018 34 V CA -0.465 61.580 62.300 -0.426 0.000 0.841 34 V CB 1.259 32.671 31.823 -0.686 0.000 0.991 34 V HN 0.380 nan 8.190 nan 0.000 0.437 35 F N 3.514 123.236 119.950 -0.380 0.000 2.415 35 F HA 0.647 5.179 4.527 0.007 0.000 0.348 35 F C 0.279 175.911 175.800 -0.281 0.000 1.119 35 F CA -0.421 57.148 58.000 -0.718 0.000 1.069 35 F CB 1.668 39.930 39.000 -1.230 0.000 1.124 35 F HN 0.364 nan 8.300 nan 0.000 0.472 36 Q N 3.413 123.302 119.800 0.148 0.000 2.309 36 Q HA 0.255 4.600 4.340 0.009 0.000 0.270 36 Q C -0.733 175.739 176.000 0.787 0.000 1.023 36 Q CA -0.821 55.284 55.803 0.502 0.000 0.758 36 Q CB 0.784 29.765 28.738 0.406 0.000 1.247 36 Q HN 0.705 nan 8.270 nan 0.000 0.455 37 H N 0.989 120.571 119.070 0.854 0.000 2.597 37 H HA 0.781 5.340 4.556 0.007 0.000 0.370 37 H C 0.339 175.917 175.328 0.416 0.000 1.281 37 H CA -0.086 56.335 56.048 0.622 0.000 1.422 37 H CB 0.917 30.957 29.762 0.464 0.000 1.524 37 H HN 0.620 nan 8.280 nan 0.000 0.607 38 G N -0.158 108.878 108.800 0.393 0.000 3.234 38 G HA2 0.151 4.116 3.960 0.009 0.000 0.159 38 G HA3 0.151 4.116 3.960 0.009 0.000 0.159 38 G C -0.771 174.340 174.900 0.351 0.000 1.175 38 G CA -0.932 44.277 45.100 0.181 0.000 0.900 38 G HN 0.754 nan 8.290 nan 0.000 0.621 39 N N 1.329 120.139 118.700 0.184 0.000 2.479 39 N HA 0.474 5.220 4.740 0.009 0.000 0.285 39 N C -2.285 173.404 175.510 0.298 0.000 1.075 39 N CA -2.017 51.109 53.050 0.127 0.000 0.967 39 N CB 2.071 40.496 38.487 -0.105 0.000 1.137 39 N HN 0.074 nan 8.380 nan 0.000 0.472 40 P HA 0.174 nan 4.420 nan 0.000 0.228 40 P C -0.566 176.909 177.300 0.292 0.000 1.873 40 P CA -0.225 62.924 63.100 0.081 0.000 1.033 40 P CB -0.088 31.547 31.700 -0.108 0.000 1.707 41 T N -2.429 112.346 114.554 0.368 0.000 2.906 41 T HA 0.738 5.093 4.350 0.009 0.000 0.283 41 T C 0.419 175.137 174.700 0.030 0.000 1.098 41 T CA -0.424 61.878 62.100 0.337 0.000 0.960 41 T CB 0.912 69.990 68.868 0.350 0.000 1.776 41 T HN 0.254 nan 8.240 nan 0.000 0.594 42 S N -1.121 114.442 115.700 -0.228 0.000 2.800 42 S HA 0.382 4.857 4.470 0.009 0.000 0.293 42 S C 1.316 175.767 174.600 -0.248 0.000 1.209 42 S CA 0.037 57.779 58.200 -0.763 0.000 0.884 42 S CB 0.561 63.637 63.200 -0.206 0.000 1.244 42 S HN 1.281 nan 8.310 nan 0.000 0.540 43 S N -0.041 115.693 115.700 0.057 0.000 2.440 43 S HA -0.187 4.288 4.470 0.009 0.000 0.238 43 S C 1.524 176.269 174.600 0.242 0.000 1.010 43 S CA 1.379 59.781 58.200 0.336 0.000 0.972 43 S CB -1.205 62.173 63.200 0.296 0.000 0.774 43 S HN 0.773 nan 8.310 nan 0.000 0.501 44 Y N 2.007 122.298 120.300 -0.016 0.000 2.241 44 Y HA -0.123 4.431 4.550 0.008 0.000 0.286 44 Y C 2.043 177.880 175.900 -0.105 0.000 1.166 44 Y CA 1.282 59.307 58.100 -0.125 0.000 1.203 44 Y CB -0.540 37.731 38.460 -0.315 0.000 0.977 44 Y HN 0.349 nan 8.280 nan 0.000 0.529 45 L N -1.016 120.192 121.223 -0.026 0.000 2.187 45 L HA -0.193 4.153 4.340 0.009 0.000 0.213 45 L C 1.196 177.839 176.870 -0.377 0.000 1.100 45 L CA 1.814 56.536 54.840 -0.196 0.000 0.765 45 L CB -0.639 41.200 42.059 -0.367 0.000 0.904 45 L HN 0.343 nan 8.230 nan 0.000 0.437 46 W N -0.299 120.968 121.300 -0.054 0.000 3.278 46 W HA 0.164 4.828 4.660 0.006 0.000 0.308 46 W C 2.255 178.613 176.519 -0.269 0.000 1.253 46 W CA -0.029 57.228 57.345 -0.148 0.000 1.759 46 W CB -0.071 29.267 29.460 -0.203 0.000 1.093 46 W HN 0.103 nan 8.180 nan 0.000 0.648 47 R N 0.695 121.123 120.500 -0.120 0.000 2.127 47 R HA -0.142 4.203 4.340 0.009 0.000 0.238 47 R C 0.661 176.899 176.300 -0.103 0.000 1.134 47 R CA 1.918 57.928 56.100 -0.150 0.000 0.975 47 R CB -0.951 29.144 30.300 -0.343 0.000 0.865 47 R HN 0.263 nan 8.270 nan 0.000 0.447 48 N N -0.265 118.387 118.700 -0.080 0.000 2.280 48 N HA 0.208 4.953 4.740 0.009 0.000 0.192 48 N C 1.147 176.693 175.510 0.061 0.000 1.109 48 N CA 0.026 53.069 53.050 -0.011 0.000 0.855 48 N CB 0.429 38.919 38.487 0.004 0.000 0.974 48 N HN 0.216 nan 8.380 nan 0.000 0.482 49 I N -0.043 120.549 120.570 0.037 0.000 2.947 49 I HA 0.009 4.185 4.170 0.009 0.000 0.263 49 I C 1.853 177.966 176.117 -0.007 0.000 1.130 49 I CA 0.405 61.772 61.300 0.112 0.000 1.448 49 I CB 0.053 38.198 38.000 0.241 0.000 1.222 49 I HN 0.070 nan 8.210 nan 0.000 0.453 50 M N 0.868 120.237 119.600 -0.386 0.000 2.143 50 M HA -0.179 4.306 4.480 0.009 0.000 0.258 50 M C -0.638 175.347 176.300 -0.525 0.000 1.071 50 M CA 2.294 57.138 55.300 -0.760 0.000 1.088 50 M CB -1.531 30.225 32.600 -1.406 0.000 1.360 50 M HN 0.077 nan 8.290 nan 0.000 0.404 51 P HA -0.150 nan 4.420 nan 0.000 0.219 51 P C 0.661 177.867 177.300 -0.156 0.000 1.146 51 P CA 1.425 64.431 63.100 -0.155 0.000 0.808 51 P CB -0.223 31.416 31.700 -0.102 0.000 0.779 52 H N -2.069 116.966 119.070 -0.059 0.000 2.546 52 H HA 0.060 4.621 4.556 0.008 0.000 0.277 52 H C 1.187 176.523 175.328 0.013 0.000 1.004 52 H CA 0.779 56.822 56.048 -0.010 0.000 1.231 52 H CB -0.571 29.194 29.762 0.005 0.000 1.382 52 H HN 0.083 nan 8.280 nan 0.000 0.580 53 L N 0.362 121.646 121.223 0.102 0.000 2.667 53 L HA 0.122 4.467 4.340 0.009 0.000 0.232 53 L C 0.372 177.278 176.870 0.060 0.000 1.138 53 L CA 0.153 55.054 54.840 0.101 0.000 0.921 53 L CB 0.158 42.326 42.059 0.182 0.000 1.180 53 L HN 0.125 nan 8.230 nan 0.000 0.487 54 E N 0.291 120.513 120.200 0.036 0.000 2.452 54 E HA 0.224 4.580 4.350 0.009 0.000 0.261 54 E C 1.265 177.887 176.600 0.035 0.000 0.987 54 E CA 0.760 57.189 56.400 0.049 0.000 0.926 54 E CB 0.278 30.008 29.700 0.051 0.000 0.934 54 E HN 0.307 nan 8.360 nan 0.000 0.452 55 G N 2.650 111.471 108.800 0.036 0.000 2.189 55 G HA2 -0.307 3.658 3.960 0.009 0.000 0.267 55 G HA3 -0.307 3.658 3.960 0.009 0.000 0.267 55 G C 0.655 175.564 174.900 0.016 0.000 0.975 55 G CA 0.466 45.579 45.100 0.021 0.000 0.644 55 G HN 0.513 nan 8.290 nan 0.000 0.537 56 L N -0.009 121.227 121.223 0.023 0.000 2.616 56 L HA 0.560 4.906 4.340 0.009 0.000 0.229 56 L C 1.404 178.276 176.870 0.004 0.000 1.110 56 L CA 0.617 55.463 54.840 0.011 0.000 0.884 56 L CB 0.333 42.402 42.059 0.017 0.000 1.115 56 L HN 0.711 nan 8.230 nan 0.000 0.481 57 G N -0.151 108.660 108.800 0.018 0.000 2.327 57 G HA2 0.103 4.068 3.960 0.009 0.000 0.291 57 G HA3 0.103 4.068 3.960 0.009 0.000 0.291 57 G C -1.644 173.277 174.900 0.035 0.000 1.290 57 G CA -0.909 44.199 45.100 0.013 0.000 0.857 57 G HN -0.084 nan 8.290 nan 0.000 0.520 58 R N 0.484 121.000 120.500 0.028 0.000 2.216 58 R HA 0.493 4.838 4.340 0.009 0.000 0.332 58 R C -0.479 175.861 176.300 0.067 0.000 1.056 58 R CA -0.455 55.673 56.100 0.046 0.000 0.901 58 R CB -0.014 30.302 30.300 0.027 0.000 1.039 58 R HN 0.385 nan 8.270 nan 0.000 0.456 59 L N 5.572 126.865 121.223 0.116 0.000 2.257 59 L HA 0.402 4.748 4.340 0.009 0.000 0.290 59 L C -0.601 176.374 176.870 0.174 0.000 1.044 59 L CA -0.865 54.081 54.840 0.177 0.000 0.810 59 L CB 1.505 43.648 42.059 0.140 0.000 1.193 59 L HN 0.345 nan 8.230 nan 0.000 0.425 60 V N 2.647 122.676 119.914 0.193 0.000 2.540 60 V HA 0.780 4.905 4.120 0.009 0.000 0.302 60 V C -0.094 176.140 176.094 0.234 0.000 1.035 60 V CA -0.500 61.905 62.300 0.174 0.000 0.873 60 V CB 1.835 33.687 31.823 0.048 0.000 0.992 60 V HN 0.842 nan 8.190 nan 0.000 0.428 61 A N 3.615 126.591 122.820 0.261 0.000 2.499 61 A HA 0.644 4.969 4.320 0.009 0.000 0.280 61 A C -0.622 177.189 177.584 0.379 0.000 1.135 61 A CA -0.350 51.869 52.037 0.303 0.000 0.744 61 A CB 0.802 19.944 19.000 0.237 0.000 1.213 61 A HN 0.796 nan 8.150 nan 0.000 0.434 62 C N 1.475 121.039 119.300 0.440 0.000 2.405 62 C HA 0.567 5.032 4.460 0.009 0.000 0.365 62 C C -0.055 175.214 174.990 0.465 0.000 1.233 62 C CA -0.470 58.803 59.018 0.426 0.000 2.230 62 C CB 0.568 28.530 27.740 0.369 0.000 2.443 62 C HN 0.766 nan 8.230 nan 0.000 0.556 63 D N 2.346 122.978 120.400 0.388 0.000 2.313 63 D HA 0.372 5.017 4.640 0.009 0.000 0.239 63 D C 0.183 176.719 176.300 0.394 0.000 1.142 63 D CA 0.040 54.301 54.000 0.435 0.000 0.847 63 D CB 0.714 41.659 40.800 0.242 0.000 1.082 63 D HN 0.378 nan 8.370 nan 0.000 0.480 64 L N 1.996 123.538 121.223 0.532 0.000 2.516 64 L HA -0.023 4.322 4.340 0.009 0.000 0.288 64 L C 0.980 177.978 176.870 0.213 0.000 1.246 64 L CA -0.394 54.617 54.840 0.285 0.000 0.844 64 L CB 0.174 42.413 42.059 0.300 0.000 1.106 64 L HN 0.320 nan 8.230 nan 0.000 0.509 65 I N 2.121 122.748 120.570 0.096 0.000 2.845 65 I HA 0.068 4.243 4.170 0.009 0.000 0.296 65 I C 1.240 177.445 176.117 0.147 0.000 1.216 65 I CA 1.610 62.899 61.300 -0.018 0.000 1.438 65 I CB 0.583 38.350 38.000 -0.388 0.000 1.342 65 I HN 0.768 nan 8.210 nan 0.000 0.577 66 G N 5.473 114.360 108.800 0.144 0.000 2.189 66 G HA2 -0.280 3.685 3.960 0.009 0.000 0.267 66 G HA3 -0.280 3.685 3.960 0.009 0.000 0.267 66 G C 0.276 175.202 174.900 0.044 0.000 0.975 66 G CA 0.698 45.871 45.100 0.122 0.000 0.644 66 G HN 0.568 nan 8.290 nan 0.000 0.537 67 M N -0.919 118.742 119.600 0.102 0.000 2.690 67 M HA 0.582 5.067 4.480 0.009 0.000 0.302 67 M C 1.384 177.702 176.300 0.030 0.000 1.234 67 M CA -0.135 55.232 55.300 0.111 0.000 0.853 67 M CB 1.795 34.617 32.600 0.369 0.000 1.748 67 M HN 1.124 nan 8.290 nan 0.000 0.469 68 G N 1.218 109.977 108.800 -0.069 0.000 2.651 68 G HA2 -0.321 3.644 3.960 0.009 0.000 0.315 68 G HA3 -0.321 3.644 3.960 0.009 0.000 0.315 68 G C 0.515 175.383 174.900 -0.052 0.000 1.258 68 G CA 0.709 45.770 45.100 -0.066 0.000 1.002 68 G HN 1.063 nan 8.290 nan 0.000 0.551 69 A N -0.320 122.518 122.820 0.030 0.000 2.345 69 A HA 0.677 5.002 4.320 0.009 0.000 0.225 69 A C 1.345 179.028 177.584 0.164 0.000 1.243 69 A CA 1.426 53.519 52.037 0.093 0.000 0.875 69 A CB -0.039 19.049 19.000 0.145 0.000 0.929 69 A HN 1.111 nan 8.150 nan 0.000 0.502 70 S N 1.325 117.101 115.700 0.125 0.000 2.585 70 S HA 0.234 4.709 4.470 0.009 0.000 0.273 70 S C -0.201 174.437 174.600 0.063 0.000 1.339 70 S CA -0.491 57.787 58.200 0.131 0.000 1.028 70 S CB 0.438 63.709 63.200 0.120 0.000 0.906 70 S HN 0.481 nan 8.310 nan 0.000 0.528 71 D N 1.879 122.303 120.400 0.041 0.000 2.368 71 D HA 0.145 4.791 4.640 0.009 0.000 0.240 71 D C 0.137 176.434 176.300 -0.004 0.000 1.169 71 D CA 0.157 54.157 54.000 0.000 0.000 0.906 71 D CB 0.452 41.241 40.800 -0.019 0.000 1.187 71 D HN 0.161 nan 8.370 nan 0.000 0.435 72 K N 1.004 121.414 120.400 0.015 0.000 2.185 72 K HA 0.324 4.649 4.320 0.009 0.000 0.271 72 K C 0.098 176.706 176.600 0.013 0.000 1.013 72 K CA -0.485 55.850 56.287 0.081 0.000 0.943 72 K CB 0.636 33.183 32.500 0.078 0.000 0.998 72 K HN 0.344 nan 8.250 nan 0.000 0.468 73 L N 1.578 122.796 121.223 -0.007 0.000 2.439 73 L HA 0.141 4.486 4.340 0.009 0.000 0.269 73 L C 0.486 177.316 176.870 -0.067 0.000 1.179 73 L CA 0.086 54.818 54.840 -0.181 0.000 0.828 73 L CB 0.603 42.340 42.059 -0.537 0.000 1.106 73 L HN 0.734 nan 8.230 nan 0.000 0.467 74 S N 1.150 116.811 115.700 -0.064 0.000 2.533 74 S HA 0.639 5.114 4.470 0.009 0.000 0.271 74 S C -2.572 172.009 174.600 -0.032 0.000 1.143 74 S CA -1.218 56.965 58.200 -0.029 0.000 0.891 74 S CB 1.338 64.531 63.200 -0.010 0.000 1.105 74 S HN 0.508 nan 8.310 nan 0.000 0.468 75 P HA 0.399 nan 4.420 nan 0.000 0.275 75 P C -0.380 176.906 177.300 -0.022 0.000 1.227 75 P CA -0.157 62.934 63.100 -0.016 0.000 0.781 75 P CB 1.104 32.797 31.700 -0.011 0.000 0.906 76 S N 0.396 116.100 115.700 0.007 0.000 2.646 76 S HA 0.767 5.242 4.470 0.009 0.000 0.276 76 S C 0.085 174.704 174.600 0.031 0.000 1.222 76 S CA 0.344 58.564 58.200 0.034 0.000 1.014 76 S CB 0.578 63.856 63.200 0.129 0.000 0.991 76 S HN 0.924 nan 8.310 nan 0.000 0.533 77 G N 1.992 110.815 108.800 0.038 0.000 2.340 77 G HA2 0.364 4.329 3.960 0.009 0.000 0.299 77 G HA3 0.364 4.329 3.960 0.009 0.000 0.299 77 G C -2.826 172.089 174.900 0.025 0.000 1.291 77 G CA -0.583 44.533 45.100 0.026 0.000 0.841 77 G HN 0.392 nan 8.290 nan 0.000 0.500 78 P HA 0.097 nan 4.420 nan 0.000 0.225 78 P C 1.079 178.376 177.300 -0.004 0.000 1.148 78 P CA 2.016 65.122 63.100 0.010 0.000 0.779 78 P CB -0.146 31.561 31.700 0.011 0.000 0.780 79 D N -0.624 119.766 120.400 -0.016 0.000 2.340 79 D HA 0.002 4.647 4.640 0.009 0.000 0.220 79 D C 0.953 177.214 176.300 -0.066 0.000 1.039 79 D CA 0.174 54.154 54.000 -0.034 0.000 0.866 79 D CB -0.086 40.694 40.800 -0.033 0.000 0.913 79 D HN 0.008 nan 8.370 nan 0.000 0.523 80 R N -1.328 119.129 120.500 -0.070 0.000 2.598 80 R HA 0.500 4.846 4.340 0.009 0.000 0.279 80 R C -0.365 175.867 176.300 -0.113 0.000 0.984 80 R CA -1.059 54.935 56.100 -0.178 0.000 0.999 80 R CB 0.592 30.725 30.300 -0.279 0.000 1.114 80 R HN 0.342 nan 8.270 nan 0.000 0.493 81 Y N -2.124 118.042 120.300 -0.224 0.000 4.490 81 Y HA -0.313 4.241 4.550 0.007 0.000 0.233 81 Y C 0.680 176.258 175.900 -0.537 0.000 1.101 81 Y CA 0.617 58.483 58.100 -0.390 0.000 2.010 81 Y CB -2.533 35.668 38.460 -0.431 0.000 1.622 81 Y HN 0.668 nan 8.280 nan 0.000 0.675 82 S N -0.882 114.663 115.700 -0.258 0.000 2.572 82 S HA -0.015 4.460 4.470 0.009 0.000 0.267 82 S C 1.131 175.517 174.600 -0.357 0.000 1.361 82 S CA 0.050 58.096 58.200 -0.257 0.000 1.009 82 S CB 0.557 63.688 63.200 -0.116 0.000 0.888 82 S HN 0.373 nan 8.310 nan 0.000 0.553 83 Y N 2.185 122.287 120.300 -0.329 0.000 2.114 83 Y HA -0.096 4.461 4.550 0.012 0.000 0.282 83 Y C 2.350 178.188 175.900 -0.104 0.000 1.165 83 Y CA 2.208 60.206 58.100 -0.170 0.000 1.148 83 Y CB -1.128 37.358 38.460 0.043 0.000 0.972 83 Y HN 0.815 nan 8.280 nan 0.000 0.504 84 G N -0.625 108.168 108.800 -0.013 0.000 2.418 84 G HA2 -0.316 3.649 3.960 0.009 0.000 0.217 84 G HA3 -0.316 3.649 3.960 0.009 0.000 0.217 84 G C 1.544 176.324 174.900 -0.200 0.000 1.158 84 G CA 0.931 45.990 45.100 -0.069 0.000 0.771 84 G HN 0.552 nan 8.290 nan 0.000 0.545 85 E N -0.287 119.808 120.200 -0.174 0.000 2.072 85 E HA -0.125 4.230 4.350 0.009 0.000 0.190 85 E C 2.550 179.108 176.600 -0.070 0.000 0.982 85 E CA 0.719 57.048 56.400 -0.117 0.000 0.803 85 E CB -0.086 29.553 29.700 -0.103 0.000 0.755 85 E HN 0.322 nan 8.360 nan 0.000 0.453 86 Q N 0.413 120.087 119.800 -0.210 0.000 2.096 86 Q HA -0.229 4.116 4.340 0.009 0.000 0.204 86 Q C 2.278 178.148 176.000 -0.217 0.000 0.982 86 Q CA 1.464 57.167 55.803 -0.166 0.000 0.850 86 Q CB -0.382 28.201 28.738 -0.259 0.000 0.901 86 Q HN 0.293 nan 8.270 nan 0.000 0.422 87 R N 0.658 120.868 120.500 -0.484 0.000 2.073 87 R HA -0.154 4.192 4.340 0.009 0.000 0.234 87 R C 1.458 177.432 176.300 -0.542 0.000 1.134 87 R CA 1.641 57.307 56.100 -0.724 0.000 0.952 87 R CB 0.019 29.755 30.300 -0.941 0.000 0.850 87 R HN 0.163 nan 8.270 nan 0.000 0.433 88 D N -0.132 120.059 120.400 -0.348 0.000 2.123 88 D HA -0.177 4.468 4.640 0.009 0.000 0.196 88 D C 1.754 177.910 176.300 -0.239 0.000 0.992 88 D CA 1.328 55.160 54.000 -0.281 0.000 0.833 88 D CB -0.327 40.275 40.800 -0.331 0.000 0.954 88 D HN 0.213 nan 8.370 nan 0.000 0.455 89 F N 0.263 120.130 119.950 -0.139 0.000 2.128 89 F HA -0.061 4.463 4.527 -0.004 0.000 0.295 89 F C 2.270 178.019 175.800 -0.084 0.000 1.100 89 F CA 0.371 58.321 58.000 -0.083 0.000 1.260 89 F CB -0.553 38.403 39.000 -0.073 0.000 1.009 89 F HN -0.070 nan 8.300 nan 0.000 0.476 90 L N -0.842 120.392 121.223 0.019 0.000 2.046 90 L HA -0.184 4.161 4.340 0.009 0.000 0.208 90 L C 2.097 178.867 176.870 -0.166 0.000 1.077 90 L CA 1.757 56.480 54.840 -0.195 0.000 0.747 90 L CB -0.934 40.903 42.059 -0.371 0.000 0.896 90 L HN -0.033 nan 8.230 nan 0.000 0.432 91 F N 0.138 119.947 119.950 -0.236 0.000 2.171 91 F HA -0.102 4.428 4.527 0.006 0.000 0.300 91 F C 2.569 178.417 175.800 0.080 0.000 1.090 91 F CA 0.722 58.725 58.000 0.005 0.000 1.293 91 F CB -1.690 37.432 39.000 0.204 0.000 1.013 91 F HN 0.231 nan 8.300 nan 0.000 0.486 92 A N -0.194 122.745 122.820 0.198 0.000 1.898 92 A HA -0.107 4.218 4.320 0.009 0.000 0.216 92 A C 2.180 179.834 177.584 0.117 0.000 1.181 92 A CA 1.173 53.289 52.037 0.131 0.000 0.620 92 A CB -1.050 17.974 19.000 0.040 0.000 0.819 92 A HN 0.295 nan 8.150 nan 0.000 0.442 93 L N -1.214 120.061 121.223 0.088 0.000 2.012 93 L HA -0.145 4.201 4.340 0.009 0.000 0.210 93 L C 2.207 179.154 176.870 0.128 0.000 1.073 93 L CA 1.870 56.752 54.840 0.070 0.000 0.748 93 L CB -0.780 41.301 42.059 0.038 0.000 0.891 93 L HN 0.573 nan 8.230 nan 0.000 0.431 94 W N 0.262 121.513 121.300 -0.082 0.000 2.358 94 W HA -0.185 4.479 4.660 0.008 0.000 0.303 94 W C 2.585 179.043 176.519 -0.103 0.000 1.208 94 W CA 1.340 58.566 57.345 -0.200 0.000 1.274 94 W CB -1.227 27.965 29.460 -0.447 0.000 1.138 94 W HN 0.369 nan 8.180 nan 0.000 0.515 95 D N -0.449 120.086 120.400 0.225 0.000 2.104 95 D HA -0.163 4.482 4.640 0.009 0.000 0.194 95 D C 2.244 178.600 176.300 0.093 0.000 0.994 95 D CA 2.309 56.406 54.000 0.162 0.000 0.830 95 D CB -0.429 40.475 40.800 0.172 0.000 0.959 95 D HN -0.065 nan 8.370 nan 0.000 0.452 96 A N -0.069 122.798 122.820 0.079 0.000 1.978 96 A HA -0.094 4.231 4.320 0.009 0.000 0.220 96 A C 2.253 179.843 177.584 0.011 0.000 1.170 96 A CA 0.930 52.995 52.037 0.045 0.000 0.636 96 A CB -0.737 18.290 19.000 0.044 0.000 0.810 96 A HN 0.399 nan 8.150 nan 0.000 0.448 97 L N -0.699 120.512 121.223 -0.021 0.000 2.552 97 L HA -0.027 4.319 4.340 0.009 0.000 0.227 97 L C -0.310 176.539 176.870 -0.035 0.000 1.146 97 L CA 0.122 54.919 54.840 -0.072 0.000 0.858 97 L CB -0.497 41.471 42.059 -0.152 0.000 0.969 97 L HN 0.314 nan 8.230 nan 0.000 0.451 98 D N 0.269 120.665 120.400 -0.007 0.000 2.737 98 D HA -0.203 4.442 4.640 0.009 0.000 0.238 98 D C 0.912 177.202 176.300 -0.016 0.000 1.157 98 D CA 0.545 54.547 54.000 0.004 0.000 0.694 98 D CB -1.170 39.640 40.800 0.015 0.000 1.021 98 D HN 0.297 nan 8.370 nan 0.000 0.420 99 L N -0.385 120.811 121.223 -0.046 0.000 2.376 99 L HA 0.083 4.428 4.340 0.009 0.000 0.219 99 L C 1.864 178.711 176.870 -0.037 0.000 1.133 99 L CA 1.022 55.808 54.840 -0.091 0.000 0.816 99 L CB -0.399 41.527 42.059 -0.223 0.000 0.933 99 L HN 0.580 nan 8.230 nan 0.000 0.449 100 G N 0.448 109.247 108.800 -0.000 0.000 2.693 100 G HA2 -0.246 3.720 3.960 0.009 0.000 0.226 100 G HA3 -0.246 3.720 3.960 0.009 0.000 0.226 100 G C -0.401 174.499 174.900 0.001 0.000 1.354 100 G CA -0.083 45.030 45.100 0.021 0.000 0.873 100 G HN 0.227 nan 8.290 nan 0.000 0.562 101 D N 0.085 120.458 120.400 -0.045 0.000 2.571 101 D HA 0.280 4.925 4.640 0.009 0.000 0.239 101 D C 0.435 176.449 176.300 -0.476 0.000 1.267 101 D CA 0.153 54.024 54.000 -0.216 0.000 0.823 101 D CB 0.225 40.869 40.800 -0.261 0.000 1.056 101 D HN 0.507 nan 8.370 nan 0.000 0.494 102 H N -0.426 118.640 119.070 -0.007 0.000 2.674 102 H HA 0.275 4.836 4.556 0.008 0.000 0.235 102 H C -0.280 175.026 175.328 -0.036 0.000 1.330 102 H CA -0.314 55.723 56.048 -0.018 0.000 1.052 102 H CB 0.626 30.371 29.762 -0.028 0.000 1.954 102 H HN -0.194 nan 8.280 nan 0.000 0.566 103 V N 1.756 121.687 119.914 0.029 0.000 2.555 103 V HA 0.073 4.198 4.120 0.009 0.000 0.286 103 V C 0.383 176.458 176.094 -0.032 0.000 1.044 103 V CA -0.428 61.849 62.300 -0.038 0.000 1.026 103 V CB 1.340 33.123 31.823 -0.066 0.000 0.981 103 V HN 0.179 nan 8.190 nan 0.000 0.480 104 V N 6.915 126.774 119.914 -0.091 0.000 2.370 104 V HA 0.397 4.522 4.120 0.009 0.000 0.279 104 V C 0.047 176.028 176.094 -0.188 0.000 1.029 104 V CA -0.422 61.830 62.300 -0.080 0.000 0.870 104 V CB 1.396 33.169 31.823 -0.083 0.000 0.984 104 V HN 0.607 nan 8.190 nan 0.000 0.451 105 L N 5.331 126.487 121.223 -0.112 0.000 2.325 105 L HA 0.644 4.989 4.340 0.009 0.000 0.279 105 L C -0.607 176.138 176.870 -0.209 0.000 1.054 105 L CA -0.652 54.066 54.840 -0.204 0.000 0.804 105 L CB 1.870 43.887 42.059 -0.069 0.000 1.200 105 L HN 0.349 nan 8.230 nan 0.000 0.436 106 V N 5.050 124.726 119.914 -0.397 0.000 2.447 106 V HA 0.472 4.597 4.120 0.009 0.000 0.292 106 V C -0.256 175.685 176.094 -0.254 0.000 1.021 106 V CA -0.340 61.711 62.300 -0.414 0.000 0.850 106 V CB 1.747 33.023 31.823 -0.911 0.000 1.005 106 V HN 0.515 nan 8.190 nan 0.000 0.426 107 L N 4.136 125.391 121.223 0.053 0.000 2.381 107 L HA 0.716 5.061 4.340 0.009 0.000 0.268 107 L C -0.994 176.137 176.870 0.435 0.000 0.997 107 L CA -0.754 54.206 54.840 0.201 0.000 0.818 107 L CB 2.425 44.464 42.059 -0.033 0.000 1.310 107 L HN 0.686 nan 8.230 nan 0.000 0.416 108 H N 0.882 120.163 119.070 0.352 0.000 2.806 108 H HA 0.395 4.956 4.556 0.008 0.000 0.367 108 H C -0.353 175.036 175.328 0.103 0.000 1.136 108 H CA 0.059 56.234 56.048 0.211 0.000 1.178 108 H CB 1.762 31.641 29.762 0.196 0.000 1.718 108 H HN 0.758 nan 8.280 nan 0.000 0.540 109 D N 1.769 121.893 120.400 -0.459 0.000 3.393 109 D HA -0.340 4.305 4.640 0.009 0.000 0.178 109 D C 0.630 176.753 176.300 -0.296 0.000 1.201 109 D CA 2.391 56.132 54.000 -0.433 0.000 1.086 109 D CB -0.917 39.578 40.800 -0.509 0.000 0.568 109 D HN 0.658 nan 8.370 nan 0.000 0.637 110 W N 0.045 121.195 121.300 -0.251 0.000 2.387 110 W HA 0.076 4.742 4.660 0.011 0.000 0.272 110 W C 2.493 178.902 176.519 -0.183 0.000 1.224 110 W CA 0.787 57.917 57.345 -0.359 0.000 1.210 110 W CB -0.564 28.184 29.460 -1.186 0.000 1.125 110 W HN 0.443 nan 8.180 nan 0.000 0.572 111 G N -0.077 108.773 108.800 0.085 0.000 2.462 111 G HA2 -0.324 3.641 3.960 0.009 0.000 0.220 111 G HA3 -0.324 3.641 3.960 0.009 0.000 0.220 111 G C 1.566 176.525 174.900 0.099 0.000 1.121 111 G CA 1.501 46.687 45.100 0.144 0.000 0.758 111 G HN 0.344 nan 8.290 nan 0.000 0.559 112 S N 1.003 116.690 115.700 -0.022 0.000 2.371 112 S HA 0.241 4.716 4.470 0.009 0.000 0.224 112 S C 2.638 177.086 174.600 -0.253 0.000 1.029 112 S CA 1.304 59.301 58.200 -0.339 0.000 0.978 112 S CB -0.468 62.501 63.200 -0.385 0.000 0.833 112 S HN 0.537 nan 8.310 nan 0.000 0.466 113 A N 2.255 125.149 122.820 0.123 0.000 1.883 113 A HA 0.077 4.402 4.320 0.009 0.000 0.217 113 A C 2.350 180.214 177.584 0.468 0.000 1.186 113 A CA 1.601 53.876 52.037 0.396 0.000 0.624 113 A CB -1.014 18.353 19.000 0.611 0.000 0.822 113 A HN 0.537 nan 8.150 nan 0.000 0.444 114 L N -0.854 120.689 121.223 0.533 0.000 2.017 114 L HA -0.128 4.217 4.340 0.009 0.000 0.208 114 L C 2.843 180.047 176.870 0.557 0.000 1.073 114 L CA 1.275 56.449 54.840 0.557 0.000 0.745 114 L CB -0.720 41.533 42.059 0.324 0.000 0.894 114 L HN 0.496 nan 8.230 nan 0.000 0.432 115 G N -0.911 108.106 108.800 0.362 0.000 2.403 115 G HA2 -0.215 3.750 3.960 0.009 0.000 0.216 115 G HA3 -0.215 3.750 3.960 0.009 0.000 0.216 115 G C 1.318 176.417 174.900 0.331 0.000 1.154 115 G CA 0.199 45.535 45.100 0.394 0.000 0.784 115 G HN 0.140 nan 8.290 nan 0.000 0.538 116 F N 1.485 121.475 119.950 0.068 0.000 2.134 116 F HA -0.002 4.531 4.527 0.010 0.000 0.299 116 F C 2.310 178.073 175.800 -0.061 0.000 1.097 116 F CA 0.851 58.755 58.000 -0.160 0.000 1.264 116 F CB -0.646 37.828 39.000 -0.877 0.000 1.001 116 F HN 0.148 nan 8.300 nan 0.000 0.479 117 D N -0.974 119.570 120.400 0.240 0.000 2.097 117 D HA -0.269 4.376 4.640 0.009 0.000 0.195 117 D C 2.196 178.762 176.300 0.443 0.000 0.989 117 D CA 1.320 55.589 54.000 0.450 0.000 0.827 117 D CB -0.558 40.657 40.800 0.693 0.000 0.966 117 D HN 0.322 nan 8.370 nan 0.000 0.456 118 W N 1.238 122.746 121.300 0.347 0.000 2.338 118 W HA -0.113 4.553 4.660 0.009 0.000 0.304 118 W C 2.394 178.974 176.519 0.100 0.000 1.212 118 W CA 2.628 60.005 57.345 0.053 0.000 1.264 118 W CB -0.514 28.895 29.460 -0.085 0.000 1.142 118 W HN 0.065 nan 8.180 nan 0.000 0.512 119 A N 0.046 123.045 122.820 0.298 0.000 1.898 119 A HA -0.255 4.070 4.320 0.009 0.000 0.216 119 A C 1.834 179.097 177.584 -0.535 0.000 1.181 119 A CA 1.992 54.047 52.037 0.030 0.000 0.620 119 A CB -1.199 18.000 19.000 0.332 0.000 0.819 119 A HN 0.431 nan 8.150 nan 0.000 0.442 120 N N -0.051 118.270 118.700 -0.631 0.000 2.223 120 N HA -0.157 4.589 4.740 0.009 0.000 0.185 120 N C 1.705 176.819 175.510 -0.660 0.000 1.016 120 N CA 1.717 54.171 53.050 -0.994 0.000 0.863 120 N CB -0.279 37.973 38.487 -0.391 0.000 0.983 120 N HN 0.638 nan 8.380 nan 0.000 0.429 121 Q N -1.603 117.914 119.800 -0.472 0.000 2.425 121 Q HA 0.034 4.379 4.340 0.009 0.000 0.204 121 Q C -0.120 175.290 176.000 -0.984 0.000 0.933 121 Q CA 0.512 55.959 55.803 -0.592 0.000 0.939 121 Q CB 0.308 28.765 28.738 -0.469 0.000 1.044 121 Q HN 0.595 nan 8.270 nan 0.000 0.513 122 H N -1.288 117.380 119.070 -0.668 0.000 2.716 122 H HA 0.268 4.829 4.556 0.009 0.000 0.230 122 H C 0.291 175.324 175.328 -0.491 0.000 1.401 122 H CA -0.293 55.340 56.048 -0.692 0.000 1.168 122 H CB 0.449 29.463 29.762 -1.245 0.000 1.935 122 H HN -0.001 nan 8.280 nan 0.000 0.538 123 R N 0.604 120.898 120.500 -0.343 0.000 2.096 123 R HA -0.124 4.222 4.340 0.009 0.000 0.235 123 R C 1.311 177.567 176.300 -0.073 0.000 1.127 123 R CA 1.653 57.624 56.100 -0.216 0.000 0.968 123 R CB 0.044 30.210 30.300 -0.223 0.000 0.861 123 R HN 0.525 nan 8.270 nan 0.000 0.440 124 D N 0.297 120.633 120.400 -0.106 0.000 2.310 124 D HA -0.179 4.466 4.640 0.009 0.000 0.212 124 D C 1.291 177.534 176.300 -0.095 0.000 0.965 124 D CA 0.980 54.932 54.000 -0.079 0.000 0.879 124 D CB -0.153 40.594 40.800 -0.088 0.000 0.921 124 D HN 0.221 nan 8.370 nan 0.000 0.510 125 R N -0.150 120.291 120.500 -0.097 0.000 2.334 125 R HA 0.244 4.589 4.340 0.009 0.000 0.212 125 R C -0.131 176.164 176.300 -0.008 0.000 0.897 125 R CA -0.085 55.964 56.100 -0.086 0.000 1.056 125 R CB 1.324 31.577 30.300 -0.078 0.000 1.046 125 R HN 0.026 nan 8.270 nan 0.000 0.513 126 V N 1.297 121.234 119.914 0.039 0.000 2.384 126 V HA 0.105 4.230 4.120 0.009 0.000 0.287 126 V C 0.775 176.931 176.094 0.103 0.000 1.020 126 V CA -0.325 62.046 62.300 0.119 0.000 0.850 126 V CB 1.673 33.625 31.823 0.216 0.000 0.987 126 V HN 0.151 nan 8.190 nan 0.000 0.436 127 Q N 3.466 123.314 119.800 0.079 0.000 2.302 127 Q HA 0.333 4.678 4.340 0.009 0.000 0.202 127 Q C 0.708 176.740 176.000 0.053 0.000 0.936 127 Q CA 0.933 56.770 55.803 0.057 0.000 0.886 127 Q CB 0.743 29.504 28.738 0.037 0.000 0.986 127 Q HN 0.942 nan 8.270 nan 0.000 0.487 128 G N 0.144 109.009 108.800 0.109 0.000 2.616 128 G HA2 0.481 4.446 3.960 0.009 0.000 0.294 128 G HA3 0.481 4.446 3.960 0.009 0.000 0.294 128 G C -1.728 173.371 174.900 0.332 0.000 1.489 128 G CA -0.736 44.496 45.100 0.220 0.000 0.836 128 G HN 0.134 nan 8.290 nan 0.000 0.527 129 I N 0.923 121.770 120.570 0.460 0.000 2.499 129 I HA 0.593 4.769 4.170 0.009 0.000 0.288 129 I C 0.243 176.563 176.117 0.340 0.000 1.048 129 I CA -0.978 60.551 61.300 0.382 0.000 1.062 129 I CB 2.161 40.417 38.000 0.426 0.000 1.238 129 I HN 0.708 nan 8.210 nan 0.000 0.426 130 A N 6.933 129.866 122.820 0.188 0.000 2.305 130 A HA 0.915 5.240 4.320 0.009 0.000 0.322 130 A C -0.906 176.793 177.584 0.192 0.000 1.187 130 A CA -0.285 51.753 52.037 0.001 0.000 0.825 130 A CB 0.593 19.515 19.000 -0.131 0.000 1.164 130 A HN 0.647 nan 8.150 nan 0.000 0.498 131 F N 0.412 120.423 119.950 0.100 0.000 2.645 131 F HA 0.846 5.378 4.527 0.008 0.000 0.310 131 F C -0.835 175.098 175.800 0.222 0.000 1.102 131 F CA -1.318 56.784 58.000 0.170 0.000 0.952 131 F CB 1.727 40.877 39.000 0.250 0.000 1.326 131 F HN 0.660 nan 8.300 nan 0.000 0.456 132 M N 0.735 120.546 119.600 0.352 0.000 2.413 132 M HA 0.473 4.958 4.480 0.009 0.000 0.287 132 M C -1.050 175.441 176.300 0.318 0.000 1.186 132 M CA -0.607 54.838 55.300 0.242 0.000 0.927 132 M CB 2.253 34.924 32.600 0.118 0.000 1.715 132 M HN 0.780 nan 8.290 nan 0.000 0.478 133 E N 0.306 120.654 120.200 0.246 0.000 2.228 133 E HA -0.167 4.188 4.350 0.009 0.000 0.213 133 E C -0.745 175.914 176.600 0.099 0.000 1.282 133 E CA 1.183 57.670 56.400 0.145 0.000 0.707 133 E CB -1.181 28.530 29.700 0.018 0.000 1.150 133 E HN 0.829 nan 8.360 nan 0.000 0.362 134 A N 0.476 123.422 122.820 0.210 0.000 2.299 134 A HA 0.746 5.071 4.320 0.009 0.000 0.332 134 A C 0.385 178.058 177.584 0.148 0.000 1.131 134 A CA -0.623 51.531 52.037 0.195 0.000 0.844 134 A CB 0.952 20.206 19.000 0.424 0.000 1.251 134 A HN 0.236 nan 8.150 nan 0.000 0.486 135 I N 2.058 122.702 120.570 0.124 0.000 2.291 135 I HA 0.233 4.408 4.170 0.009 0.000 0.292 135 I C 0.798 177.142 176.117 0.378 0.000 1.064 135 I CA -0.065 61.301 61.300 0.110 0.000 1.269 135 I CB 1.221 39.155 38.000 -0.110 0.000 1.418 135 I HN 0.528 nan 8.210 nan 0.000 0.485 136 V N 1.168 121.253 119.914 0.286 0.000 3.502 136 V HA 0.378 4.503 4.120 0.009 0.000 0.288 136 V C 0.344 176.614 176.094 0.294 0.000 1.461 136 V CA 0.108 62.630 62.300 0.370 0.000 1.029 136 V CB 0.601 32.587 31.823 0.271 0.000 0.843 136 V HN 0.708 nan 8.190 nan 0.000 0.438 137 T N 0.748 115.373 114.554 0.117 0.000 2.893 137 T HA 0.520 4.875 4.350 0.009 0.000 0.337 137 T C -3.186 171.472 174.700 -0.070 0.000 1.587 137 T CA -0.658 61.435 62.100 -0.012 0.000 1.066 137 T CB 2.071 70.876 68.868 -0.106 0.000 1.414 137 T HN 0.136 nan 8.240 nan 0.000 0.488 138 P HA 0.419 nan 4.420 nan 0.000 0.269 138 P C -0.713 176.522 177.300 -0.108 0.000 1.209 138 P CA -0.099 62.936 63.100 -0.108 0.000 0.776 138 P CB 0.395 32.029 31.700 -0.111 0.000 0.876 139 M N 0.836 120.365 119.600 -0.119 0.000 2.724 139 M HA 0.493 4.978 4.480 0.009 0.000 0.310 139 M C 0.424 176.623 176.300 -0.168 0.000 1.217 139 M CA -0.499 54.730 55.300 -0.119 0.000 0.894 139 M CB 2.338 34.880 32.600 -0.098 0.000 1.719 139 M HN 0.325 nan 8.290 nan 0.000 0.479 140 T N -3.468 111.008 114.554 -0.130 0.000 2.910 140 T HA 0.405 4.761 4.350 0.009 0.000 0.287 140 T C 0.032 174.662 174.700 -0.118 0.000 1.050 140 T CA -0.666 61.350 62.100 -0.140 0.000 1.011 140 T CB 0.888 69.745 68.868 -0.018 0.000 1.195 140 T HN 0.767 nan 8.240 nan 0.000 0.540 141 W N 0.263 121.587 121.300 0.039 0.000 2.421 141 W HA 0.152 4.817 4.660 0.008 0.000 0.270 141 W C 2.652 179.241 176.519 0.115 0.000 1.233 141 W CA 0.533 57.923 57.345 0.075 0.000 1.226 141 W CB -0.390 29.094 29.460 0.039 0.000 1.121 141 W HN 0.909 nan 8.180 nan 0.000 0.579 142 A N 0.051 123.022 122.820 0.251 0.000 2.070 142 A HA -0.183 4.142 4.320 0.009 0.000 0.220 142 A C 1.607 179.272 177.584 0.134 0.000 1.159 142 A CA 1.795 53.933 52.037 0.170 0.000 0.656 142 A CB -0.533 18.531 19.000 0.105 0.000 0.800 142 A HN 0.176 nan 8.150 nan 0.000 0.453 143 D N -1.823 118.650 120.400 0.122 0.000 2.277 143 D HA -0.057 4.588 4.640 0.009 0.000 0.208 143 D C 0.428 176.789 176.300 0.102 0.000 0.962 143 D CA 0.177 54.225 54.000 0.080 0.000 0.865 143 D CB -0.111 40.717 40.800 0.047 0.000 0.939 143 D HN 0.659 nan 8.370 nan 0.000 0.510 144 W N 2.243 123.533 121.300 -0.017 0.000 2.315 144 W HA 0.188 4.853 4.660 0.008 0.000 0.316 144 W C -2.421 174.105 176.519 0.010 0.000 1.211 144 W CA -2.172 55.155 57.345 -0.029 0.000 1.201 144 W CB 0.956 30.463 29.460 0.078 0.000 1.184 144 W HN -0.220 nan 8.180 nan 0.000 0.544 145 P HA -0.045 nan 4.420 nan 0.000 0.261 145 P C -1.956 175.348 177.300 0.007 0.000 1.183 145 P CA -0.236 62.730 63.100 -0.224 0.000 0.761 145 P CB 0.204 31.686 31.700 -0.364 0.000 0.785 146 P HA -0.251 nan 4.420 nan 0.000 0.216 146 P C 1.241 178.590 177.300 0.082 0.000 1.150 146 P CA 1.916 65.065 63.100 0.081 0.000 0.843 146 P CB -0.278 31.448 31.700 0.045 0.000 0.787 147 A N -0.658 122.193 122.820 0.052 0.000 2.019 147 A HA -0.101 4.224 4.320 0.009 0.000 0.219 147 A C 1.840 179.484 177.584 0.100 0.000 1.164 147 A CA 1.976 54.046 52.037 0.055 0.000 0.644 147 A CB -1.247 17.774 19.000 0.034 0.000 0.805 147 A HN 0.248 nan 8.150 nan 0.000 0.449 148 V N -4.189 115.828 119.914 0.172 0.000 3.319 148 V HA 0.251 4.376 4.120 0.009 0.000 0.317 148 V C 1.461 177.854 176.094 0.498 0.000 1.411 148 V CA 0.117 62.619 62.300 0.335 0.000 1.112 148 V CB -0.531 31.568 31.823 0.460 0.000 1.031 148 V HN 0.403 nan 8.190 nan 0.000 0.448 149 R N 1.766 122.484 120.500 0.362 0.000 2.083 149 R HA -0.026 4.319 4.340 0.009 0.000 0.237 149 R C 2.422 178.699 176.300 -0.038 0.000 1.137 149 R CA 2.010 58.253 56.100 0.239 0.000 0.951 149 R CB -0.731 29.629 30.300 0.100 0.000 0.851 149 R HN 0.608 nan 8.270 nan 0.000 0.434 150 G N 0.395 109.173 108.800 -0.037 0.000 2.402 150 G HA2 -0.189 3.776 3.960 0.009 0.000 0.216 150 G HA3 -0.189 3.776 3.960 0.009 0.000 0.216 150 G C 1.489 176.314 174.900 -0.126 0.000 1.162 150 G CA 0.771 45.797 45.100 -0.124 0.000 0.777 150 G HN 0.129 nan 8.290 nan 0.000 0.539 151 V N 0.458 120.326 119.914 -0.077 0.000 2.295 151 V HA -0.141 3.984 4.120 0.009 0.000 0.246 151 V C 2.495 178.355 176.094 -0.389 0.000 1.049 151 V CA 1.610 63.732 62.300 -0.298 0.000 1.024 151 V CB -0.767 30.873 31.823 -0.305 0.000 0.648 151 V HN 0.285 nan 8.190 nan 0.000 0.447 152 F N 0.530 120.471 119.950 -0.016 0.000 2.171 152 F HA -0.175 4.357 4.527 0.008 0.000 0.300 152 F C 2.645 178.545 175.800 0.167 0.000 1.090 152 F CA 1.645 59.780 58.000 0.226 0.000 1.293 152 F CB -0.663 38.526 39.000 0.315 0.000 1.013 152 F HN 0.148 nan 8.300 nan 0.000 0.486 153 Q N -0.259 119.554 119.800 0.022 0.000 2.124 153 Q HA -0.129 4.216 4.340 0.009 0.000 0.202 153 Q C 2.637 178.626 176.000 -0.019 0.000 0.977 153 Q CA 1.390 57.133 55.803 -0.099 0.000 0.850 153 Q CB -0.779 27.708 28.738 -0.420 0.000 0.901 153 Q HN 0.510 nan 8.270 nan 0.000 0.429 154 G N 0.044 108.778 108.800 -0.111 0.000 2.402 154 G HA2 -0.221 3.744 3.960 0.009 0.000 0.216 154 G HA3 -0.221 3.744 3.960 0.009 0.000 0.216 154 G C 0.946 175.834 174.900 -0.019 0.000 1.162 154 G CA 0.439 45.466 45.100 -0.122 0.000 0.777 154 G HN 0.200 nan 8.290 nan 0.000 0.539 155 F N 1.035 120.990 119.950 0.009 0.000 2.161 155 F HA 0.058 4.591 4.527 0.010 0.000 0.300 155 F C 2.241 178.087 175.800 0.078 0.000 1.089 155 F CA 0.710 58.729 58.000 0.031 0.000 1.282 155 F CB -0.188 38.821 39.000 0.014 0.000 1.010 155 F HN -0.011 nan 8.300 nan 0.000 0.485 156 R N 0.606 121.287 120.500 0.302 0.000 4.263 156 R HA 0.236 4.581 4.340 0.009 0.000 0.248 156 R C -0.195 176.197 176.300 0.154 0.000 1.796 156 R CA 0.164 56.404 56.100 0.234 0.000 1.518 156 R CB -0.384 30.091 30.300 0.291 0.000 1.342 156 R HN 0.241 nan 8.270 nan 0.000 0.706 157 S N -2.463 113.312 115.700 0.125 0.000 2.636 157 S HA 0.321 4.796 4.470 0.009 0.000 0.268 157 S C -2.597 172.046 174.600 0.073 0.000 1.159 157 S CA -1.283 56.964 58.200 0.078 0.000 0.815 157 S CB 1.930 65.158 63.200 0.045 0.000 1.130 157 S HN -0.179 nan 8.310 nan 0.000 0.471 158 P HA -0.001 nan 4.420 nan 0.000 0.225 158 P C 1.158 178.484 177.300 0.044 0.000 1.148 158 P CA 0.912 64.039 63.100 0.045 0.000 0.779 158 P CB 0.032 31.751 31.700 0.031 0.000 0.780 159 Q N -1.025 118.799 119.800 0.039 0.000 2.364 159 Q HA -0.019 4.326 4.340 0.009 0.000 0.207 159 Q C 2.233 178.273 176.000 0.066 0.000 0.970 159 Q CA 1.401 57.225 55.803 0.034 0.000 0.888 159 Q CB -1.076 27.663 28.738 0.002 0.000 0.951 159 Q HN 0.295 nan 8.270 nan 0.000 0.469 160 G N 0.911 109.776 108.800 0.110 0.000 2.422 160 G HA2 -0.274 3.691 3.960 0.009 0.000 0.218 160 G HA3 -0.274 3.691 3.960 0.009 0.000 0.218 160 G C 1.284 176.286 174.900 0.169 0.000 1.146 160 G CA 0.764 45.995 45.100 0.218 0.000 0.769 160 G HN 0.307 nan 8.290 nan 0.000 0.547 161 E N 0.788 121.043 120.200 0.092 0.000 2.023 161 E HA -0.094 4.262 4.350 0.009 0.000 0.196 161 E C 0.317 176.937 176.600 0.033 0.000 1.003 161 E CA 1.913 58.344 56.400 0.052 0.000 0.809 161 E CB -0.695 29.022 29.700 0.029 0.000 0.755 161 E HN 0.360 nan 8.360 nan 0.000 0.449 162 P HA -0.155 nan 4.420 nan 0.000 0.218 162 P C 1.232 178.541 177.300 0.014 0.000 1.149 162 P CA 1.477 64.558 63.100 -0.032 0.000 0.817 162 P CB -0.044 31.659 31.700 0.005 0.000 0.785 163 M N -0.570 119.104 119.600 0.123 0.000 2.065 163 M HA -0.146 4.339 4.480 0.009 0.000 0.259 163 M C 2.288 178.731 176.300 0.238 0.000 1.069 163 M CA 2.466 57.883 55.300 0.195 0.000 1.110 163 M CB -0.856 31.827 32.600 0.139 0.000 1.328 163 M HN -0.059 nan 8.290 nan 0.000 0.405 164 A N -0.133 122.823 122.820 0.226 0.000 1.871 164 A HA 0.074 4.399 4.320 0.009 0.000 0.211 164 A C 2.013 179.615 177.584 0.030 0.000 1.207 164 A CA 0.716 52.837 52.037 0.139 0.000 0.620 164 A CB -0.645 18.379 19.000 0.040 0.000 0.860 164 A HN 0.406 nan 8.150 nan 0.000 0.450 165 L N -0.889 120.334 121.223 0.000 0.000 2.131 165 L HA -0.049 4.296 4.340 0.009 0.000 0.206 165 L C 2.574 179.409 176.870 -0.058 0.000 1.087 165 L CA 1.652 56.476 54.840 -0.027 0.000 0.767 165 L CB -0.397 41.648 42.059 -0.023 0.000 0.917 165 L HN 0.591 nan 8.230 nan 0.000 0.441 166 E N -0.640 119.478 120.200 -0.138 0.000 2.057 166 E HA -0.123 4.232 4.350 0.009 0.000 0.190 166 E C 1.814 178.251 176.600 -0.272 0.000 0.969 166 E CA 0.512 56.741 56.400 -0.285 0.000 0.812 166 E CB 0.284 29.672 29.700 -0.520 0.000 0.777 166 E HN 0.471 nan 8.360 nan 0.000 0.455 167 H N -0.157 118.939 119.070 0.044 0.000 2.586 167 H HA 0.142 4.704 4.556 0.009 0.000 0.273 167 H C 0.374 175.734 175.328 0.054 0.000 0.997 167 H CA 0.336 56.408 56.048 0.041 0.000 1.177 167 H CB 0.320 30.101 29.762 0.031 0.000 1.471 167 H HN 0.189 nan 8.280 nan 0.000 0.538 168 N N 0.832 119.610 118.700 0.130 0.000 2.716 168 N HA -0.193 4.552 4.740 0.009 0.000 0.250 168 N C 0.893 176.489 175.510 0.144 0.000 1.033 168 N CA 0.231 53.343 53.050 0.104 0.000 0.727 168 N CB -1.639 36.902 38.487 0.090 0.000 0.950 168 N HN 0.409 nan 8.380 nan 0.000 0.541 169 I N -1.080 119.615 120.570 0.208 0.000 2.361 169 I HA -0.253 3.922 4.170 0.009 0.000 0.251 169 I C 1.978 178.227 176.117 0.221 0.000 1.133 169 I CA 0.945 62.359 61.300 0.190 0.000 1.413 169 I CB -0.257 37.832 38.000 0.149 0.000 1.073 169 I HN 0.265 nan 8.210 nan 0.000 0.424 170 F N 0.546 120.604 119.950 0.180 0.000 2.113 170 F HA -0.220 4.313 4.527 0.011 0.000 0.297 170 F C 2.375 178.197 175.800 0.037 0.000 1.103 170 F CA 1.408 59.469 58.000 0.102 0.000 1.248 170 F CB 0.056 38.972 39.000 -0.139 0.000 0.999 170 F HN -0.241 nan 8.300 nan 0.000 0.475 171 V N -0.300 119.740 119.914 0.210 0.000 2.323 171 V HA -0.206 3.919 4.120 0.009 0.000 0.244 171 V C 2.081 178.228 176.094 0.089 0.000 1.041 171 V CA 1.804 64.177 62.300 0.122 0.000 1.025 171 V CB -0.459 31.427 31.823 0.104 0.000 0.656 171 V HN 0.242 nan 8.190 nan 0.000 0.451 172 E N -0.366 119.888 120.200 0.091 0.000 2.299 172 E HA -0.017 4.338 4.350 0.009 0.000 0.193 172 E C 2.232 178.860 176.600 0.046 0.000 0.998 172 E CA 0.553 56.992 56.400 0.066 0.000 0.851 172 E CB 0.133 29.874 29.700 0.069 0.000 0.795 172 E HN 0.463 nan 8.360 nan 0.000 0.492 173 R N -0.467 120.062 120.500 0.048 0.000 2.197 173 R HA 0.172 4.517 4.340 0.009 0.000 0.188 173 R C 2.403 178.725 176.300 0.036 0.000 1.015 173 R CA 0.303 56.419 56.100 0.028 0.000 1.132 173 R CB -0.739 29.565 30.300 0.007 0.000 1.134 173 R HN -0.034 nan 8.270 nan 0.000 0.560 174 V N 2.678 122.605 119.914 0.022 0.000 2.307 174 V HA -0.186 3.940 4.120 0.009 0.000 0.245 174 V C 2.460 178.663 176.094 0.181 0.000 1.045 174 V CA 1.613 63.940 62.300 0.045 0.000 1.024 174 V CB -0.624 31.042 31.823 -0.262 0.000 0.651 174 V HN 0.091 nan 8.190 nan 0.000 0.449 175 L N 1.876 123.164 121.223 0.108 0.000 1.970 175 L HA -0.064 4.281 4.340 0.009 0.000 0.212 175 L C -0.072 176.746 176.870 -0.087 0.000 1.071 175 L CA 2.599 57.349 54.840 -0.150 0.000 0.751 175 L CB -1.929 39.912 42.059 -0.363 0.000 0.889 175 L HN 0.269 nan 8.230 nan 0.000 0.432 176 P HA -0.050 nan 4.420 nan 0.000 0.221 176 P C 1.546 178.876 177.300 0.049 0.000 1.150 176 P CA 1.738 64.834 63.100 -0.007 0.000 0.800 176 P CB -0.431 31.268 31.700 -0.002 0.000 0.787 177 G N 0.048 108.895 108.800 0.079 0.000 2.598 177 G HA2 0.001 3.966 3.960 0.009 0.000 0.215 177 G HA3 0.001 3.966 3.960 0.009 0.000 0.215 177 G C 1.219 176.196 174.900 0.128 0.000 1.131 177 G CA 0.620 45.773 45.100 0.088 0.000 0.785 177 G HN 0.403 nan 8.290 nan 0.000 0.539 178 A N -0.035 122.919 122.820 0.223 0.000 2.630 178 A HA 0.665 4.990 4.320 0.009 0.000 0.290 178 A C 0.088 177.854 177.584 0.303 0.000 1.267 178 A CA -0.367 51.839 52.037 0.281 0.000 0.950 178 A CB 0.062 19.307 19.000 0.409 0.000 1.144 178 A HN 0.223 nan 8.150 nan 0.000 0.527 179 I N -0.055 120.625 120.570 0.183 0.000 2.465 179 I HA 0.254 4.429 4.170 0.009 0.000 0.291 179 I C 0.900 177.046 176.117 0.049 0.000 1.014 179 I CA -0.563 60.801 61.300 0.107 0.000 1.093 179 I CB 2.065 40.095 38.000 0.050 0.000 1.267 179 I HN 0.158 nan 8.210 nan 0.000 0.431 180 L N 4.467 125.708 121.223 0.030 0.000 2.027 180 L HA -0.056 4.289 4.340 0.009 0.000 0.206 180 L C 1.580 178.446 176.870 -0.006 0.000 1.074 180 L CA 1.197 56.046 54.840 0.015 0.000 0.745 180 L CB -0.455 41.615 42.059 0.018 0.000 0.898 180 L HN 0.661 nan 8.230 nan 0.000 0.433 181 R N -0.170 120.307 120.500 -0.038 0.000 2.652 181 R HA 0.177 4.522 4.340 0.009 0.000 0.271 181 R C -0.044 176.213 176.300 -0.073 0.000 1.129 181 R CA -0.439 55.617 56.100 -0.073 0.000 1.200 181 R CB 0.301 30.501 30.300 -0.168 0.000 1.146 181 R HN -0.172 nan 8.270 nan 0.000 0.581 182 Q N 1.469 121.227 119.800 -0.071 0.000 2.278 182 Q HA 0.312 4.657 4.340 0.009 0.000 0.257 182 Q C -0.278 175.674 176.000 -0.079 0.000 0.928 182 Q CA -0.658 55.115 55.803 -0.051 0.000 0.932 182 Q CB 1.020 29.744 28.738 -0.024 0.000 1.221 182 Q HN 0.521 nan 8.270 nan 0.000 0.434 183 L N 3.373 124.563 121.223 -0.055 0.000 2.483 183 L HA 0.241 4.586 4.340 0.009 0.000 0.276 183 L C 1.205 178.076 176.870 0.001 0.000 1.213 183 L CA -0.083 54.738 54.840 -0.032 0.000 0.843 183 L CB 0.701 42.785 42.059 0.041 0.000 1.107 183 L HN 0.926 nan 8.230 nan 0.000 0.487 184 S N 0.301 116.012 115.700 0.018 0.000 2.584 184 S HA 0.009 4.484 4.470 0.009 0.000 0.270 184 S C 0.650 175.283 174.600 0.056 0.000 1.346 184 S CA -0.726 57.499 58.200 0.041 0.000 1.018 184 S CB 1.003 64.239 63.200 0.060 0.000 0.899 184 S HN 0.590 nan 8.310 nan 0.000 0.542 185 D N 0.863 121.289 120.400 0.044 0.000 2.149 185 D HA -0.131 4.515 4.640 0.009 0.000 0.198 185 D C 1.767 178.093 176.300 0.044 0.000 0.990 185 D CA 1.725 55.748 54.000 0.038 0.000 0.839 185 D CB -0.314 40.501 40.800 0.024 0.000 0.948 185 D HN 0.902 nan 8.370 nan 0.000 0.460 186 E N 0.692 120.928 120.200 0.060 0.000 2.072 186 E HA -0.173 4.182 4.350 0.009 0.000 0.191 186 E C 1.754 178.440 176.600 0.145 0.000 0.985 186 E CA 0.943 57.388 56.400 0.074 0.000 0.801 186 E CB 0.132 29.893 29.700 0.101 0.000 0.750 186 E HN 0.271 nan 8.360 nan 0.000 0.452 187 E N -0.014 120.295 120.200 0.183 0.000 2.051 187 E HA -0.231 4.124 4.350 0.009 0.000 0.192 187 E C 1.987 178.690 176.600 0.171 0.000 0.991 187 E CA 1.452 57.997 56.400 0.243 0.000 0.799 187 E CB -0.148 29.701 29.700 0.248 0.000 0.748 187 E HN 0.251 nan 8.360 nan 0.000 0.449 188 M N 1.200 120.894 119.600 0.157 0.000 2.159 188 M HA -0.155 4.330 4.480 0.009 0.000 0.263 188 M C 1.197 177.549 176.300 0.087 0.000 1.063 188 M CA 1.775 57.175 55.300 0.167 0.000 1.110 188 M CB -0.189 32.472 32.600 0.102 0.000 1.374 188 M HN -0.004 nan 8.290 nan 0.000 0.411 189 N N -1.822 116.876 118.700 -0.002 0.000 2.396 189 N HA -0.115 4.630 4.740 0.009 0.000 0.180 189 N C 1.352 176.726 175.510 -0.227 0.000 1.028 189 N CA 0.778 53.775 53.050 -0.090 0.000 0.893 189 N CB -0.200 38.217 38.487 -0.118 0.000 0.967 189 N HN 0.523 nan 8.380 nan 0.000 0.440 190 H N -0.710 118.156 119.070 -0.340 0.000 2.353 190 H HA -0.094 4.466 4.556 0.007 0.000 0.300 190 H C 1.187 176.171 175.328 -0.573 0.000 1.090 190 H CA 1.514 57.159 56.048 -0.672 0.000 1.327 190 H CB 0.040 28.875 29.762 -1.545 0.000 1.383 190 H HN 0.272 nan 8.280 nan 0.000 0.508 191 Y N 0.280 120.484 120.300 -0.160 0.000 2.293 191 Y HA -0.108 4.447 4.550 0.008 0.000 0.291 191 Y C 2.346 178.267 175.900 0.035 0.000 1.137 191 Y CA 0.973 59.051 58.100 -0.037 0.000 1.202 191 Y CB -0.089 38.380 38.460 0.014 0.000 0.990 191 Y HN 0.063 nan 8.280 nan 0.000 0.537 192 R N -0.418 120.167 120.500 0.141 0.000 2.148 192 R HA -0.093 4.252 4.340 0.009 0.000 0.223 192 R C 2.371 178.690 176.300 0.032 0.000 1.088 192 R CA 0.575 56.755 56.100 0.133 0.000 0.985 192 R CB -0.197 30.147 30.300 0.073 0.000 0.880 192 R HN 0.234 nan 8.270 nan 0.000 0.451 193 R N 1.234 121.683 120.500 -0.086 0.000 2.096 193 R HA -0.127 4.218 4.340 0.009 0.000 0.240 193 R C -0.828 175.347 176.300 -0.209 0.000 1.139 193 R CA 1.622 57.632 56.100 -0.149 0.000 0.952 193 R CB -0.997 29.184 30.300 -0.198 0.000 0.854 193 R HN 0.145 nan 8.270 nan 0.000 0.436 194 P HA -0.059 nan 4.420 nan 0.000 0.230 194 P C 0.014 176.870 177.300 -0.740 0.000 1.158 194 P CA 1.113 63.807 63.100 -0.678 0.000 0.769 194 P CB 0.087 31.150 31.700 -1.061 0.000 0.807 195 F N -2.489 117.458 119.950 -0.006 0.000 2.775 195 F HA 0.121 4.655 4.527 0.011 0.000 0.313 195 F C 1.717 177.516 175.800 -0.001 0.000 1.121 195 F CA -0.490 57.507 58.000 -0.004 0.000 1.206 195 F CB -0.938 38.067 39.000 0.009 0.000 1.052 195 F HN -0.277 nan 8.300 nan 0.000 0.524 196 V N -1.869 118.096 119.914 0.086 0.000 2.490 196 V HA -0.093 4.033 4.120 0.009 0.000 0.250 196 V C 0.820 176.947 176.094 0.055 0.000 1.061 196 V CA 1.133 63.469 62.300 0.059 0.000 1.064 196 V CB -0.649 31.179 31.823 0.008 0.000 0.670 196 V HN 0.166 nan 8.190 nan 0.000 0.461 197 N N 2.408 121.139 118.700 0.050 0.000 2.430 197 N HA 0.394 5.139 4.740 0.009 0.000 0.265 197 N C 0.522 176.063 175.510 0.053 0.000 1.100 197 N CA 0.796 53.871 53.050 0.040 0.000 0.961 197 N CB 1.217 39.720 38.487 0.026 0.000 1.075 197 N HN 0.567 nan 8.380 nan 0.000 0.478 198 G N 0.501 109.323 108.800 0.036 0.000 2.484 198 G HA2 0.408 4.373 3.960 0.009 0.000 0.235 198 G HA3 0.408 4.373 3.960 0.009 0.000 0.235 198 G C 0.748 175.658 174.900 0.017 0.000 1.282 198 G CA 0.437 45.550 45.100 0.022 0.000 0.857 198 G HN 0.768 nan 8.290 nan 0.000 0.571 199 G N 1.014 109.819 108.800 0.008 0.000 2.416 199 G HA2 -0.176 3.789 3.960 0.009 0.000 0.203 199 G HA3 -0.176 3.789 3.960 0.009 0.000 0.203 199 G C 0.730 175.641 174.900 0.019 0.000 1.227 199 G CA 0.314 45.418 45.100 0.007 0.000 1.041 199 G HN 0.562 nan 8.290 nan 0.000 0.546 200 E N 0.459 120.675 120.200 0.026 0.000 2.333 200 E HA -0.074 4.281 4.350 0.009 0.000 0.198 200 E C 1.922 178.554 176.600 0.054 0.000 1.007 200 E CA 1.333 57.757 56.400 0.040 0.000 0.845 200 E CB -0.280 29.451 29.700 0.052 0.000 0.766 200 E HN 0.480 nan 8.360 nan 0.000 0.507 201 D N 0.514 120.954 120.400 0.066 0.000 2.228 201 D HA -0.153 4.492 4.640 0.009 0.000 0.203 201 D C 1.509 177.916 176.300 0.179 0.000 0.988 201 D CA 0.895 54.957 54.000 0.103 0.000 0.864 201 D CB -0.129 40.730 40.800 0.098 0.000 0.928 201 D HN 0.140 nan 8.370 nan 0.000 0.469 202 R N -0.335 120.225 120.500 0.101 0.000 2.317 202 R HA 0.143 4.489 4.340 0.009 0.000 0.208 202 R C 1.803 177.995 176.300 -0.181 0.000 0.914 202 R CA -0.148 55.931 56.100 -0.034 0.000 1.060 202 R CB 0.246 30.508 30.300 -0.064 0.000 1.015 202 R HN -0.083 nan 8.270 nan 0.000 0.498 203 R N 1.877 122.285 120.500 -0.152 0.000 2.103 203 R HA -0.102 4.243 4.340 0.009 0.000 0.242 203 R C -0.973 175.079 176.300 -0.414 0.000 1.142 203 R CA 1.727 57.701 56.100 -0.211 0.000 0.960 203 R CB -1.173 29.098 30.300 -0.047 0.000 0.858 203 R HN 0.127 nan 8.270 nan 0.000 0.439 204 P HA -0.122 nan 4.420 nan 0.000 0.216 204 P C 0.991 178.052 177.300 -0.399 0.000 1.150 204 P CA 2.143 64.814 63.100 -0.714 0.000 0.837 204 P CB -0.457 30.857 31.700 -0.644 0.000 0.786 205 T N -3.281 111.022 114.554 -0.418 0.000 2.977 205 T HA -0.108 4.248 4.350 0.009 0.000 0.271 205 T C 1.612 176.048 174.700 -0.440 0.000 1.105 205 T CA 0.779 62.588 62.100 -0.485 0.000 1.116 205 T CB -0.826 67.662 68.868 -0.634 0.000 0.878 205 T HN -0.041 nan 8.240 nan 0.000 0.509 206 L N 0.658 121.686 121.223 -0.325 0.000 2.286 206 L HA 0.400 4.745 4.340 0.009 0.000 0.203 206 L C 2.566 179.353 176.870 -0.138 0.000 1.068 206 L CA 1.082 55.776 54.840 -0.242 0.000 0.811 206 L CB -0.597 41.387 42.059 -0.125 0.000 0.989 206 L HN 0.160 nan 8.230 nan 0.000 0.467 207 S N -0.798 114.795 115.700 -0.178 0.000 2.382 207 S HA -0.203 4.272 4.470 0.009 0.000 0.228 207 S C 1.635 176.147 174.600 -0.146 0.000 1.027 207 S CA 1.732 59.828 58.200 -0.174 0.000 0.991 207 S CB -0.601 62.446 63.200 -0.254 0.000 0.823 207 S HN 0.578 nan 8.310 nan 0.000 0.469 208 W N 2.220 123.378 121.300 -0.237 0.000 2.333 208 W HA -0.118 4.547 4.660 0.008 0.000 0.316 208 W C -0.631 175.919 176.519 0.051 0.000 1.215 208 W CA 0.697 57.849 57.345 -0.322 0.000 1.278 208 W CB -1.338 27.905 29.460 -0.361 0.000 1.154 208 W HN 0.264 nan 8.180 nan 0.000 0.486 209 P HA -0.150 nan 4.420 nan 0.000 0.220 209 P C 0.774 178.309 177.300 0.393 0.000 1.148 209 P CA 1.654 65.070 63.100 0.527 0.000 0.803 209 P CB -0.250 31.722 31.700 0.453 0.000 0.782 210 R N -0.493 120.156 120.500 0.250 0.000 2.285 210 R HA 0.026 4.371 4.340 0.009 0.000 0.213 210 R C 1.782 178.195 176.300 0.189 0.000 1.068 210 R CA 0.642 56.856 56.100 0.190 0.000 1.004 210 R CB -0.494 29.872 30.300 0.111 0.000 0.873 210 R HN 0.319 nan 8.270 nan 0.000 0.467 211 N N 0.283 119.136 118.700 0.254 0.000 2.280 211 N HA 0.065 4.810 4.740 0.009 0.000 0.192 211 N C -0.110 175.744 175.510 0.574 0.000 1.109 211 N CA -0.013 53.216 53.050 0.297 0.000 0.855 211 N CB 0.508 39.049 38.487 0.090 0.000 0.974 211 N HN 0.091 nan 8.380 nan 0.000 0.482 212 L N 3.180 124.754 121.223 0.585 0.000 2.490 212 L HA 0.096 4.441 4.340 0.009 0.000 0.274 212 L C -1.905 175.036 176.870 0.119 0.000 1.201 212 L CA -1.118 53.955 54.840 0.388 0.000 0.869 212 L CB 0.232 42.352 42.059 0.101 0.000 1.123 212 L HN -0.146 nan 8.230 nan 0.000 0.484 213 P HA 0.259 nan 4.420 nan 0.000 0.266 213 P C -0.766 176.443 177.300 -0.151 0.000 1.586 213 P CA 0.163 63.242 63.100 -0.035 0.000 1.088 213 P CB 0.069 31.750 31.700 -0.032 0.000 1.584 214 I N 2.318 122.757 120.570 -0.219 0.000 2.466 214 I HA 0.209 4.384 4.170 0.009 0.000 0.289 214 I C 0.090 176.044 176.117 -0.272 0.000 1.026 214 I CA -0.680 60.380 61.300 -0.400 0.000 1.078 214 I CB 1.579 39.078 38.000 -0.835 0.000 1.249 214 I HN 0.095 nan 8.210 nan 0.000 0.429 215 D N 5.197 125.465 120.400 -0.220 0.000 2.751 215 D HA -0.191 4.454 4.640 0.009 0.000 0.233 215 D C 1.089 177.360 176.300 -0.050 0.000 1.149 215 D CA 1.844 55.789 54.000 -0.092 0.000 0.682 215 D CB -0.903 39.885 40.800 -0.020 0.000 1.068 215 D HN 1.159 nan 8.370 nan 0.000 0.429 216 G N -0.652 108.111 108.800 -0.062 0.000 2.176 216 G HA2 -0.309 3.656 3.960 0.009 0.000 0.253 216 G HA3 -0.309 3.656 3.960 0.009 0.000 0.253 216 G C 0.000 174.888 174.900 -0.020 0.000 0.979 216 G CA 0.490 45.568 45.100 -0.037 0.000 0.641 216 G HN 0.514 nan 8.290 nan 0.000 0.530 217 E N 0.697 120.886 120.200 -0.019 0.000 2.293 217 E HA 0.498 4.853 4.350 0.009 0.000 0.270 217 E C -2.894 173.717 176.600 0.019 0.000 0.879 217 E CA -2.331 54.075 56.400 0.009 0.000 0.756 217 E CB 2.788 32.505 29.700 0.030 0.000 1.208 217 E HN 0.116 nan 8.360 nan 0.000 0.428 218 P HA 0.040 nan 4.420 nan 0.000 0.275 218 P C 0.031 177.348 177.300 0.029 0.000 1.227 218 P CA -0.014 63.114 63.100 0.046 0.000 0.781 218 P CB 1.165 32.904 31.700 0.065 0.000 0.906 219 A N 3.683 126.514 122.820 0.018 0.000 1.972 219 A HA -0.210 4.116 4.320 0.009 0.000 0.219 219 A C 1.922 179.508 177.584 0.004 0.000 1.169 219 A CA 1.645 53.685 52.037 0.005 0.000 0.635 219 A CB -1.077 17.926 19.000 0.005 0.000 0.810 219 A HN 0.703 nan 8.150 nan 0.000 0.446 220 E N -0.049 120.160 120.200 0.015 0.000 2.204 220 E HA -0.106 4.249 4.350 0.009 0.000 0.194 220 E C 1.617 178.219 176.600 0.003 0.000 0.989 220 E CA 1.595 58.004 56.400 0.016 0.000 0.824 220 E CB -0.395 29.325 29.700 0.033 0.000 0.756 220 E HN 0.348 nan 8.360 nan 0.000 0.477 221 V N 1.358 121.280 119.914 0.013 0.000 2.446 221 V HA -0.154 3.971 4.120 0.009 0.000 0.244 221 V C 2.567 178.641 176.094 -0.033 0.000 1.039 221 V CA 0.999 63.297 62.300 -0.004 0.000 1.045 221 V CB 0.106 31.991 31.823 0.103 0.000 0.681 221 V HN 0.129 nan 8.190 nan 0.000 0.459 222 V N 0.840 120.739 119.914 -0.026 0.000 2.324 222 V HA -0.321 3.804 4.120 0.009 0.000 0.250 222 V C 2.752 178.797 176.094 -0.082 0.000 1.060 222 V CA 2.288 64.551 62.300 -0.060 0.000 1.042 222 V CB -1.182 30.613 31.823 -0.047 0.000 0.650 222 V HN 0.563 nan 8.190 nan 0.000 0.450 223 A N -0.198 122.587 122.820 -0.057 0.000 1.902 223 A HA -0.189 4.136 4.320 0.009 0.000 0.217 223 A C 2.166 179.706 177.584 -0.074 0.000 1.181 223 A CA 2.072 54.077 52.037 -0.054 0.000 0.623 223 A CB -0.573 18.412 19.000 -0.025 0.000 0.818 223 A HN 0.485 nan 8.150 nan 0.000 0.443 224 L N 0.127 121.306 121.223 -0.074 0.000 2.012 224 L HA -0.130 4.215 4.340 0.009 0.000 0.210 224 L C 2.312 179.029 176.870 -0.255 0.000 1.073 224 L CA 2.249 57.048 54.840 -0.067 0.000 0.748 224 L CB -0.648 41.380 42.059 -0.052 0.000 0.891 224 L HN 0.141 nan 8.230 nan 0.000 0.431 225 V N 0.404 120.074 119.914 -0.406 0.000 2.427 225 V HA -0.245 3.880 4.120 0.009 0.000 0.248 225 V C 2.420 178.160 176.094 -0.590 0.000 1.051 225 V CA 1.810 63.605 62.300 -0.842 0.000 1.048 225 V CB -1.062 30.483 31.823 -0.464 0.000 0.666 225 V HN 0.519 nan 8.190 nan 0.000 0.456 226 N N 0.088 118.616 118.700 -0.288 0.000 2.166 226 N HA -0.166 4.580 4.740 0.009 0.000 0.186 226 N C 2.047 177.482 175.510 -0.126 0.000 1.019 226 N CA 1.543 54.490 53.050 -0.171 0.000 0.856 226 N CB -0.247 38.175 38.487 -0.109 0.000 0.993 226 N HN 0.610 nan 8.380 nan 0.000 0.426 227 E N 0.829 120.962 120.200 -0.112 0.000 2.028 227 E HA -0.156 4.199 4.350 0.009 0.000 0.191 227 E C 2.115 178.755 176.600 0.067 0.000 0.988 227 E CA 1.294 57.688 56.400 -0.011 0.000 0.799 227 E CB -0.746 28.966 29.700 0.020 0.000 0.755 227 E HN 0.659 nan 8.360 nan 0.000 0.447 228 Y N 1.818 122.164 120.300 0.077 0.000 2.293 228 Y HA 0.065 4.620 4.550 0.009 0.000 0.291 228 Y C 2.283 178.199 175.900 0.025 0.000 1.137 228 Y CA 1.598 59.769 58.100 0.118 0.000 1.202 228 Y CB -1.085 37.486 38.460 0.184 0.000 0.990 228 Y HN 0.270 nan 8.280 nan 0.000 0.537 229 R N 1.332 121.851 120.500 0.032 0.000 2.115 229 R HA -0.105 4.240 4.340 0.009 0.000 0.230 229 R C 2.040 178.285 176.300 -0.092 0.000 1.111 229 R CA 1.503 57.584 56.100 -0.031 0.000 0.976 229 R CB -1.067 29.279 30.300 0.077 0.000 0.870 229 R HN 0.481 nan 8.270 nan 0.000 0.445 230 S N 0.149 115.843 115.700 -0.011 0.000 2.402 230 S HA -0.174 4.301 4.470 0.009 0.000 0.229 230 S C 1.697 176.278 174.600 -0.032 0.000 1.021 230 S CA 0.622 58.813 58.200 -0.015 0.000 0.974 230 S CB -0.673 62.538 63.200 0.019 0.000 0.800 230 S HN 0.675 nan 8.310 nan 0.000 0.484 231 W N 2.322 123.535 121.300 -0.144 0.000 2.379 231 W HA 0.135 4.800 4.660 0.009 0.000 0.307 231 W C 1.796 178.136 176.519 -0.299 0.000 1.200 231 W CA 0.914 58.161 57.345 -0.164 0.000 1.297 231 W CB -0.595 28.808 29.460 -0.095 0.000 1.140 231 W HN 0.260 nan 8.180 nan 0.000 0.507 232 L N 0.631 121.401 121.223 -0.754 0.000 2.131 232 L HA -0.219 4.126 4.340 0.009 0.000 0.210 232 L C 2.395 178.476 176.870 -1.315 0.000 1.092 232 L CA 1.835 55.881 54.840 -1.323 0.000 0.759 232 L CB -0.843 40.202 42.059 -1.691 0.000 0.903 232 L HN 0.048 nan 8.230 nan 0.000 0.435 233 E N -0.442 119.165 120.200 -0.988 0.000 2.077 233 E HA -0.232 4.123 4.350 0.009 0.000 0.193 233 E C 2.158 178.514 176.600 -0.407 0.000 0.989 233 E CA 1.721 57.740 56.400 -0.635 0.000 0.800 233 E CB 0.058 29.609 29.700 -0.248 0.000 0.746 233 E HN 0.548 nan 8.360 nan 0.000 0.452 234 E N 0.075 120.046 120.200 -0.383 0.000 2.307 234 E HA 0.005 4.360 4.350 0.009 0.000 0.195 234 E C 1.056 177.494 176.600 -0.271 0.000 0.975 234 E CA 0.483 56.742 56.400 -0.236 0.000 0.878 234 E CB -0.326 29.291 29.700 -0.137 0.000 0.845 234 E HN 0.110 nan 8.360 nan 0.000 0.488 235 T N 2.166 116.432 114.554 -0.480 0.000 2.930 235 T HA 0.081 4.437 4.350 0.009 0.000 0.306 235 T C 0.356 174.893 174.700 -0.270 0.000 1.045 235 T CA 0.333 62.174 62.100 -0.432 0.000 1.134 235 T CB 0.812 69.148 68.868 -0.887 0.000 0.961 235 T HN 0.484 nan 8.240 nan 0.000 0.545 236 D N 3.713 124.036 120.400 -0.129 0.000 2.328 236 D HA 0.011 4.656 4.640 0.009 0.000 0.226 236 D C 0.886 177.165 176.300 -0.036 0.000 1.066 236 D CA -0.136 53.823 54.000 -0.067 0.000 0.861 236 D CB -0.513 40.272 40.800 -0.025 0.000 0.912 236 D HN 0.516 nan 8.370 nan 0.000 0.521 237 M N 1.287 120.852 119.600 -0.059 0.000 2.260 237 M HA 0.128 4.613 4.480 0.009 0.000 0.348 237 M C -2.340 173.988 176.300 0.047 0.000 1.342 237 M CA -1.088 54.219 55.300 0.012 0.000 1.040 237 M CB 0.666 33.282 32.600 0.027 0.000 1.810 237 M HN -0.250 nan 8.290 nan 0.000 0.453 238 P HA 0.129 nan 4.420 nan 0.000 0.268 238 P C -1.571 175.975 177.300 0.409 0.000 1.205 238 P CA 0.304 63.547 63.100 0.239 0.000 0.771 238 P CB 0.471 32.294 31.700 0.205 0.000 0.858 239 K N 1.899 122.516 120.400 0.362 0.000 2.385 239 K HA 0.687 5.013 4.320 0.009 0.000 0.248 239 K C -1.272 175.268 176.600 -0.100 0.000 0.955 239 K CA -0.981 55.467 56.287 0.269 0.000 0.816 239 K CB 1.835 34.549 32.500 0.358 0.000 1.250 239 K HN 0.197 nan 8.250 nan 0.000 0.434 240 L N 2.843 123.796 121.223 -0.450 0.000 2.372 240 L HA 0.447 4.792 4.340 0.009 0.000 0.273 240 L C -1.673 174.887 176.870 -0.517 0.000 0.989 240 L CA -0.544 53.895 54.840 -0.668 0.000 0.841 240 L CB 0.929 42.230 42.059 -1.264 0.000 1.225 240 L HN 0.577 nan 8.230 nan 0.000 0.414 241 F N 6.847 126.420 119.950 -0.628 0.000 2.371 241 F HA 0.567 5.099 4.527 0.008 0.000 0.363 241 F C -0.604 174.873 175.800 -0.537 0.000 1.122 241 F CA -1.307 56.158 58.000 -0.891 0.000 1.129 241 F CB 0.551 39.232 39.000 -0.532 0.000 1.173 241 F HN 0.365 nan 8.300 nan 0.000 0.489 242 I N 6.270 126.447 120.570 -0.656 0.000 2.287 242 I HA 0.138 4.313 4.170 0.009 0.000 0.290 242 I C -0.117 175.577 176.117 -0.705 0.000 1.069 242 I CA -0.540 60.411 61.300 -0.582 0.000 1.237 242 I CB 0.321 38.145 38.000 -0.293 0.000 1.418 242 I HN 0.543 nan 8.210 nan 0.000 0.481 243 N N 5.209 123.271 118.700 -1.064 0.000 2.529 243 N HA 0.537 5.283 4.740 0.009 0.000 0.278 243 N C -0.679 174.630 175.510 -0.335 0.000 1.146 243 N CA -0.159 52.414 53.050 -0.794 0.000 0.980 243 N CB 1.208 39.182 38.487 -0.854 0.000 1.124 243 N HN 0.634 nan 8.380 nan 0.000 0.458 244 A N 2.311 125.033 122.820 -0.162 0.000 2.355 244 A HA 0.568 4.893 4.320 0.009 0.000 0.324 244 A C -0.845 176.698 177.584 -0.069 0.000 1.117 244 A CA -0.669 51.308 52.037 -0.101 0.000 0.785 244 A CB 0.796 19.760 19.000 -0.059 0.000 1.254 244 A HN 0.761 nan 8.150 nan 0.000 0.453 245 E N 2.354 122.519 120.200 -0.058 0.000 2.218 245 E HA 0.300 4.655 4.350 0.009 0.000 0.263 245 E C -2.050 174.534 176.600 -0.026 0.000 0.879 245 E CA -1.745 54.631 56.400 -0.040 0.000 0.762 245 E CB 2.309 31.984 29.700 -0.042 0.000 1.166 245 E HN 0.473 nan 8.360 nan 0.000 0.415 246 P HA -0.048 nan 4.420 nan 0.000 0.229 246 P C 0.678 177.962 177.300 -0.027 0.000 1.160 246 P CA 0.908 63.994 63.100 -0.022 0.000 0.777 246 P CB 0.419 32.108 31.700 -0.019 0.000 0.814 247 G N -0.219 108.565 108.800 -0.026 0.000 2.750 247 G HA2 0.005 3.970 3.960 0.009 0.000 0.228 247 G HA3 0.005 3.970 3.960 0.009 0.000 0.228 247 G C 0.340 175.208 174.900 -0.054 0.000 1.367 247 G CA -0.010 45.074 45.100 -0.026 0.000 0.871 247 G HN 0.525 nan 8.290 nan 0.000 0.560 248 A N -1.959 120.812 122.820 -0.081 0.000 1.687 248 A HA 0.611 4.936 4.320 0.009 0.000 0.158 248 A C 2.068 179.474 177.584 -0.295 0.000 1.516 248 A CA 1.197 53.109 52.037 -0.208 0.000 1.427 248 A CB -0.456 18.403 19.000 -0.235 0.000 1.263 248 A HN 2.037 nan 8.150 nan 0.000 0.837 249 I N -1.895 118.513 120.570 -0.270 0.000 3.645 249 I HA 0.454 4.629 4.170 0.009 0.000 0.300 249 I C -0.116 175.940 176.117 -0.101 0.000 1.260 249 I CA 0.430 61.553 61.300 -0.294 0.000 1.365 249 I CB 0.329 38.095 38.000 -0.390 0.000 1.077 249 I HN 0.097 nan 8.210 nan 0.000 0.439 250 I N 3.976 124.538 120.570 -0.013 0.000 2.361 250 I HA 0.291 4.466 4.170 0.009 0.000 0.282 250 I C -0.131 176.012 176.117 0.043 0.000 1.075 250 I CA -0.182 61.145 61.300 0.045 0.000 1.205 250 I CB 0.585 38.676 38.000 0.151 0.000 1.406 250 I HN 0.325 nan 8.210 nan 0.000 0.481 251 T N 0.797 115.353 114.554 0.003 0.000 2.812 251 T HA 0.778 5.133 4.350 0.009 0.000 0.294 251 T C 0.560 175.260 174.700 -0.000 0.000 1.159 251 T CA -0.060 62.041 62.100 0.000 0.000 1.008 251 T CB 1.781 70.632 68.868 -0.028 0.000 1.289 251 T HN 0.702 nan 8.240 nan 0.000 0.514 252 G N 2.325 111.126 108.800 0.002 0.000 2.634 252 G HA2 -0.416 3.549 3.960 0.009 0.000 0.309 252 G HA3 -0.416 3.549 3.960 0.009 0.000 0.309 252 G C 0.887 175.788 174.900 0.002 0.000 1.265 252 G CA 1.942 47.042 45.100 0.001 0.000 0.998 252 G HN 1.501 nan 8.290 nan 0.000 0.551 253 R N 0.324 120.824 120.500 -0.001 0.000 2.152 253 R HA 0.230 4.575 4.340 0.009 0.000 0.232 253 R C 2.646 178.949 176.300 0.006 0.000 1.117 253 R CA 2.234 58.333 56.100 -0.001 0.000 0.981 253 R CB -0.476 29.817 30.300 -0.011 0.000 0.870 253 R HN 0.596 nan 8.270 nan 0.000 0.451 254 I N 0.638 121.208 120.570 -0.000 0.000 2.252 254 I HA -0.157 4.018 4.170 0.009 0.000 0.245 254 I C 2.905 179.004 176.117 -0.030 0.000 1.102 254 I CA 1.334 62.642 61.300 0.013 0.000 1.385 254 I CB -0.337 37.664 38.000 0.002 0.000 1.064 254 I HN 0.255 nan 8.210 nan 0.000 0.414 255 R N 1.099 121.582 120.500 -0.029 0.000 2.081 255 R HA -0.200 4.146 4.340 0.009 0.000 0.235 255 R C 1.804 178.049 176.300 -0.091 0.000 1.131 255 R CA 1.930 58.005 56.100 -0.043 0.000 0.960 255 R CB -0.157 30.180 30.300 0.061 0.000 0.856 255 R HN 0.287 nan 8.270 nan 0.000 0.436 256 D N -0.365 120.012 120.400 -0.038 0.000 2.117 256 D HA -0.206 4.439 4.640 0.009 0.000 0.197 256 D C 1.584 177.842 176.300 -0.070 0.000 0.987 256 D CA 1.152 55.132 54.000 -0.034 0.000 0.829 256 D CB -0.453 40.348 40.800 0.001 0.000 0.961 256 D HN 0.292 nan 8.370 nan 0.000 0.460 257 Y N 1.824 122.004 120.300 -0.199 0.000 2.145 257 Y HA -0.205 4.350 4.550 0.008 0.000 0.286 257 Y C 2.195 177.779 175.900 -0.526 0.000 1.145 257 Y CA 0.990 58.944 58.100 -0.243 0.000 1.148 257 Y CB -0.584 37.765 38.460 -0.186 0.000 0.981 257 Y HN -0.204 nan 8.280 nan 0.000 0.507 258 V N 1.077 120.412 119.914 -0.965 0.000 2.392 258 V HA -0.306 3.819 4.120 0.009 0.000 0.249 258 V C 2.321 177.747 176.094 -1.113 0.000 1.059 258 V CA 2.279 63.593 62.300 -1.644 0.000 1.051 258 V CB -0.641 30.278 31.823 -1.505 0.000 0.658 258 V HN 0.341 nan 8.190 nan 0.000 0.455 259 R N 0.645 120.787 120.500 -0.597 0.000 2.328 259 R HA -0.067 4.278 4.340 0.009 0.000 0.207 259 R C 2.248 178.437 176.300 -0.185 0.000 1.056 259 R CA 1.160 57.102 56.100 -0.264 0.000 1.016 259 R CB -0.268 29.976 30.300 -0.094 0.000 0.872 259 R HN 0.708 nan 8.270 nan 0.000 0.471 260 S N -0.945 114.605 115.700 -0.249 0.000 2.562 260 S HA 0.009 4.485 4.470 0.009 0.000 0.221 260 S C 0.198 174.828 174.600 0.050 0.000 0.975 260 S CA -0.433 57.721 58.200 -0.077 0.000 0.918 260 S CB 0.044 63.232 63.200 -0.021 0.000 0.772 260 S HN 0.160 nan 8.310 nan 0.000 0.531 261 W N 3.766 124.934 121.300 -0.221 0.000 2.170 261 W HA 0.475 5.140 4.660 0.008 0.000 0.336 261 W C -2.368 174.078 176.519 -0.122 0.000 1.283 261 W CA -2.759 54.459 57.345 -0.211 0.000 1.224 261 W CB -0.361 28.941 29.460 -0.263 0.000 1.132 261 W HN 0.096 nan 8.180 nan 0.000 0.571 262 P HA 0.086 nan 4.420 nan 0.000 0.280 262 P C -0.074 177.254 177.300 0.045 0.000 1.272 262 P CA -0.529 62.594 63.100 0.039 0.000 0.819 262 P CB 0.691 32.381 31.700 -0.016 0.000 1.122 263 N N -0.865 117.863 118.700 0.046 0.000 2.714 263 N HA -0.223 4.522 4.740 0.009 0.000 0.252 263 N C -0.652 174.925 175.510 0.112 0.000 1.014 263 N CA 0.886 53.975 53.050 0.066 0.000 0.735 263 N CB -1.292 37.223 38.487 0.046 0.000 0.924 263 N HN 0.621 nan 8.380 nan 0.000 0.540 264 Q N 0.016 119.884 119.800 0.112 0.000 2.321 264 Q HA 0.427 4.772 4.340 0.009 0.000 0.270 264 Q C -0.961 175.092 176.000 0.089 0.000 1.032 264 Q CA -0.607 55.273 55.803 0.130 0.000 0.784 264 Q CB 1.064 29.904 28.738 0.169 0.000 1.264 264 Q HN 0.241 nan 8.270 nan 0.000 0.448 265 T N 3.124 117.710 114.554 0.055 0.000 2.845 265 T HA 0.265 4.620 4.350 0.009 0.000 0.288 265 T C -0.708 173.962 174.700 -0.049 0.000 0.980 265 T CA -0.376 61.727 62.100 0.005 0.000 1.071 265 T CB 1.140 70.008 68.868 0.001 0.000 0.941 265 T HN 0.560 nan 8.240 nan 0.000 0.487 266 E N 2.365 122.531 120.200 -0.057 0.000 2.212 266 E HA 0.637 4.992 4.350 0.009 0.000 0.268 266 E C -0.881 175.601 176.600 -0.196 0.000 0.902 266 E CA -0.876 55.440 56.400 -0.140 0.000 0.779 266 E CB 1.067 30.727 29.700 -0.067 0.000 1.172 266 E HN 0.681 nan 8.360 nan 0.000 0.409 267 I N -0.509 119.877 120.570 -0.307 0.000 2.934 267 I HA 0.636 4.811 4.170 0.009 0.000 0.306 267 I C -0.992 174.921 176.117 -0.340 0.000 1.110 267 I CA -0.578 60.567 61.300 -0.259 0.000 1.019 267 I CB 2.628 40.508 38.000 -0.201 0.000 1.227 267 I HN 0.262 nan 8.210 nan 0.000 0.434 268 T N 3.841 118.250 114.554 -0.242 0.000 2.861 268 T HA 0.669 5.024 4.350 0.009 0.000 0.287 268 T C -0.645 173.958 174.700 -0.161 0.000 1.003 268 T CA -0.546 61.416 62.100 -0.231 0.000 0.977 268 T CB 1.783 70.543 68.868 -0.180 0.000 0.996 268 T HN 0.773 nan 8.240 nan 0.000 0.448 269 V N 1.060 120.884 119.914 -0.149 0.000 3.007 269 V HA 0.824 4.949 4.120 0.009 0.000 0.311 269 V C -3.145 172.904 176.094 -0.074 0.000 1.120 269 V CA -3.288 58.952 62.300 -0.100 0.000 0.980 269 V CB 1.797 33.563 31.823 -0.095 0.000 1.033 269 V HN 0.519 nan 8.190 nan 0.000 0.429 270 P HA 0.605 nan 4.420 nan 0.000 0.268 270 P C 0.189 177.479 177.300 -0.017 0.000 1.204 270 P CA 0.891 63.977 63.100 -0.025 0.000 0.768 270 P CB 0.846 32.543 31.700 -0.005 0.000 0.842 271 G N 0.284 109.075 108.800 -0.015 0.000 2.321 271 G HA2 0.296 4.261 3.960 0.009 0.000 0.298 271 G HA3 0.296 4.261 3.960 0.009 0.000 0.298 271 G C -0.494 174.405 174.900 -0.003 0.000 1.385 271 G CA -0.601 44.497 45.100 -0.004 0.000 0.856 271 G HN 0.268 nan 8.290 nan 0.000 0.584 272 V N -0.862 119.062 119.914 0.017 0.000 3.355 272 V HA 0.280 4.405 4.120 0.009 0.000 0.210 272 V C 1.635 177.747 176.094 0.030 0.000 1.157 272 V CA 1.819 64.132 62.300 0.022 0.000 1.336 272 V CB 0.076 31.928 31.823 0.048 0.000 1.317 272 V HN 0.872 nan 8.190 nan 0.000 0.503 273 H N -0.936 118.078 119.070 -0.094 0.000 2.426 273 H HA 0.314 4.875 4.556 0.008 0.000 0.286 273 H C 0.575 175.752 175.328 -0.253 0.000 0.990 273 H CA 0.244 56.144 56.048 -0.247 0.000 1.237 273 H CB 0.207 29.685 29.762 -0.473 0.000 1.466 273 H HN 0.287 nan 8.280 nan 0.000 0.525 274 F N 2.606 122.559 119.950 0.005 0.000 2.640 274 F HA 0.147 4.678 4.527 0.008 0.000 0.354 274 F C 1.545 177.237 175.800 -0.180 0.000 1.213 274 F CA -0.207 57.706 58.000 -0.144 0.000 1.314 274 F CB 0.074 39.037 39.000 -0.063 0.000 1.679 274 F HN 0.087 nan 8.300 nan 0.000 0.622 275 V N -1.363 118.457 119.914 -0.158 0.000 2.720 275 V HA -0.260 3.865 4.120 0.009 0.000 0.256 275 V C 1.831 177.878 176.094 -0.077 0.000 1.082 275 V CA 1.466 63.710 62.300 -0.093 0.000 1.101 275 V CB -0.638 31.121 31.823 -0.106 0.000 0.693 275 V HN 0.426 nan 8.190 nan 0.000 0.479 276 Q N 0.784 120.487 119.800 -0.160 0.000 2.226 276 Q HA -0.086 4.259 4.340 0.009 0.000 0.204 276 Q C 2.079 178.092 176.000 0.021 0.000 0.975 276 Q CA 1.647 57.384 55.803 -0.109 0.000 0.866 276 Q CB -0.363 28.205 28.738 -0.284 0.000 0.915 276 Q HN 0.683 nan 8.270 nan 0.000 0.440 277 E N -0.057 120.165 120.200 0.036 0.000 2.478 277 E HA -0.032 4.323 4.350 0.009 0.000 0.194 277 E C 0.433 177.071 176.600 0.063 0.000 1.045 277 E CA 0.396 56.830 56.400 0.056 0.000 0.868 277 E CB 0.385 30.086 29.700 0.001 0.000 0.885 277 E HN 0.421 nan 8.360 nan 0.000 0.505 278 D N -0.362 120.109 120.400 0.119 0.000 2.431 278 D HA 0.089 4.734 4.640 0.009 0.000 0.227 278 D C 0.296 176.739 176.300 0.238 0.000 1.030 278 D CA 0.416 54.513 54.000 0.162 0.000 0.897 278 D CB 0.657 41.498 40.800 0.069 0.000 1.058 278 D HN -0.132 nan 8.370 nan 0.000 0.500 279 S N 1.270 117.053 115.700 0.138 0.000 2.665 279 S HA 0.162 4.637 4.470 0.009 0.000 0.235 279 S C -1.912 172.687 174.600 -0.002 0.000 1.084 279 S CA -0.714 57.514 58.200 0.048 0.000 1.151 279 S CB 1.670 64.868 63.200 -0.004 0.000 1.151 279 S HN 0.105 nan 8.310 nan 0.000 0.461 280 P HA -0.086 nan 4.420 nan 0.000 0.217 280 P C 1.257 178.480 177.300 -0.128 0.000 1.150 280 P CA 1.127 64.215 63.100 -0.021 0.000 0.832 280 P CB 0.164 31.877 31.700 0.022 0.000 0.787 281 E N 0.374 120.488 120.200 -0.143 0.000 2.077 281 E HA -0.185 4.170 4.350 0.009 0.000 0.193 281 E C 2.078 178.509 176.600 -0.281 0.000 0.989 281 E CA 1.483 57.761 56.400 -0.204 0.000 0.800 281 E CB -1.076 28.576 29.700 -0.081 0.000 0.746 281 E HN 0.511 nan 8.360 nan 0.000 0.452 282 E N 0.094 120.195 120.200 -0.165 0.000 2.106 282 E HA -0.009 4.346 4.350 0.009 0.000 0.192 282 E C 2.113 178.621 176.600 -0.154 0.000 0.984 282 E CA 0.849 57.165 56.400 -0.139 0.000 0.806 282 E CB -0.243 29.400 29.700 -0.096 0.000 0.750 282 E HN 0.398 nan 8.360 nan 0.000 0.458 283 I N 0.415 120.900 120.570 -0.142 0.000 2.202 283 I HA -0.179 3.997 4.170 0.009 0.000 0.242 283 I C 2.398 178.438 176.117 -0.127 0.000 1.091 283 I CA 1.268 62.506 61.300 -0.103 0.000 1.368 283 I CB -0.629 37.352 38.000 -0.031 0.000 1.058 283 I HN 0.202 nan 8.210 nan 0.000 0.410 284 G N 0.606 109.243 108.800 -0.272 0.000 2.446 284 G HA2 -0.274 3.691 3.960 0.009 0.000 0.217 284 G HA3 -0.274 3.691 3.960 0.009 0.000 0.217 284 G C 1.872 176.597 174.900 -0.293 0.000 1.168 284 G CA 0.907 45.777 45.100 -0.384 0.000 0.771 284 G HN 0.491 nan 8.290 nan 0.000 0.551 285 A N 1.140 123.734 122.820 -0.378 0.000 1.908 285 A HA 0.209 4.534 4.320 0.009 0.000 0.218 285 A C 2.824 180.385 177.584 -0.037 0.000 1.181 285 A CA 2.457 54.429 52.037 -0.108 0.000 0.627 285 A CB -0.814 18.135 19.000 -0.086 0.000 0.818 285 A HN 0.840 nan 8.150 nan 0.000 0.445 286 A N -0.140 122.641 122.820 -0.066 0.000 1.898 286 A HA -0.039 4.286 4.320 0.009 0.000 0.216 286 A C 2.109 179.705 177.584 0.021 0.000 1.181 286 A CA 1.456 53.471 52.037 -0.037 0.000 0.620 286 A CB -0.600 18.347 19.000 -0.088 0.000 0.819 286 A HN 0.503 nan 8.150 nan 0.000 0.442 287 I N -0.121 120.463 120.570 0.023 0.000 2.226 287 I HA -0.271 3.904 4.170 0.009 0.000 0.245 287 I C 2.952 179.159 176.117 0.150 0.000 1.100 287 I CA 1.047 62.408 61.300 0.103 0.000 1.374 287 I CB -0.381 37.667 38.000 0.080 0.000 1.057 287 I HN 0.342 nan 8.210 nan 0.000 0.413 288 A N 0.113 122.996 122.820 0.106 0.000 1.902 288 A HA -0.276 4.049 4.320 0.009 0.000 0.217 288 A C 2.332 179.968 177.584 0.087 0.000 1.181 288 A CA 2.181 54.278 52.037 0.099 0.000 0.623 288 A CB -0.884 18.181 19.000 0.109 0.000 0.818 288 A HN 0.414 nan 8.150 nan 0.000 0.443 289 Q N -1.423 118.430 119.800 0.089 0.000 2.084 289 Q HA -0.175 4.171 4.340 0.009 0.000 0.202 289 Q C 1.962 178.037 176.000 0.126 0.000 0.978 289 Q CA 1.839 57.691 55.803 0.083 0.000 0.844 289 Q CB -0.858 27.919 28.738 0.066 0.000 0.898 289 Q HN 0.849 nan 8.270 nan 0.000 0.426 290 F N 0.459 120.403 119.950 -0.011 0.000 2.095 290 F HA -0.120 4.412 4.527 0.008 0.000 0.298 290 F C 2.176 177.973 175.800 -0.006 0.000 1.104 290 F CA 1.929 59.925 58.000 -0.008 0.000 1.232 290 F CB -0.640 38.352 39.000 -0.013 0.000 0.987 290 F HN 0.131 nan 8.300 nan 0.000 0.475 291 V N 0.879 120.768 119.914 -0.042 0.000 2.427 291 V HA -0.244 3.881 4.120 0.009 0.000 0.248 291 V C 2.545 178.567 176.094 -0.121 0.000 1.051 291 V CA 2.026 64.226 62.300 -0.166 0.000 1.048 291 V CB -0.673 31.116 31.823 -0.056 0.000 0.666 291 V HN 0.266 nan 8.190 nan 0.000 0.456 292 R N -0.307 120.164 120.500 -0.048 0.000 2.096 292 R HA -0.141 4.204 4.340 0.009 0.000 0.235 292 R C 2.703 178.970 176.300 -0.055 0.000 1.127 292 R CA 1.560 57.637 56.100 -0.038 0.000 0.968 292 R CB -0.329 29.967 30.300 -0.006 0.000 0.861 292 R HN 0.371 nan 8.270 nan 0.000 0.440 293 R N 0.650 121.114 120.500 -0.060 0.000 2.073 293 R HA -0.000 4.345 4.340 0.009 0.000 0.234 293 R C 2.418 178.655 176.300 -0.106 0.000 1.134 293 R CA 1.176 57.240 56.100 -0.060 0.000 0.952 293 R CB -1.163 29.121 30.300 -0.026 0.000 0.850 293 R HN 0.309 nan 8.270 nan 0.000 0.433 294 L N 0.346 121.449 121.223 -0.201 0.000 2.083 294 L HA -0.125 4.220 4.340 0.009 0.000 0.209 294 L C 2.786 179.579 176.870 -0.128 0.000 1.083 294 L CA 1.340 56.056 54.840 -0.206 0.000 0.752 294 L CB -0.472 41.382 42.059 -0.342 0.000 0.899 294 L HN 0.159 nan 8.230 nan 0.000 0.433 295 R N 0.016 120.447 120.500 -0.115 0.000 2.066 295 R HA 0.041 4.386 4.340 0.009 0.000 0.232 295 R C 1.412 177.674 176.300 -0.064 0.000 1.131 295 R CA 0.430 56.479 56.100 -0.085 0.000 0.955 295 R CB -0.950 29.305 30.300 -0.075 0.000 0.851 295 R HN 0.271 nan 8.270 nan 0.000 0.432 296 S N 0.000 115.667 115.700 -0.055 0.000 2.498 296 S HA 0.000 4.475 4.470 0.009 0.000 0.327 296 S CA 0.000 58.177 58.200 -0.038 0.000 1.107 296 S CB 0.000 63.182 63.200 -0.029 0.000 0.593 296 S HN 0.000 nan 8.310 nan 0.000 0.517