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 1d07_1_A DATA FIRST_RESID 4 DATA SEQUENCE GAKPFGEKKF IEIKGRRMAY IDEGTGDPIL FQHGNPTSSY LWRNIMPHCA DATA SEQUENCE GLGRLIACDL IGMGDSDKLD PSGPERYAYA EHRDYLDALW EALDLGDRVV DATA SEQUENCE LVVHDWGSAL GFDWARRHRE RVQGIAYMEA IAMPIEWADF PEQDRDLFQA DATA SEQUENCE FRSQAGEELV LQDNVFVEQV LPGLILRPLS EAEMAAYREP FLAAGEARRP DATA SEQUENCE TLSWPRQIPI AGTPADVVAI ARDYAGWLSE SPIPKLFINA EPGALTTGRM DATA SEQUENCE RDFCRTWPNQ TEITVAGAHF IQEDSPDEIG AAIAAFVRRL RPA 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 4 G C 0.000 174.887 174.900 -0.022 0.000 0.946 4 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 5 A N 2.006 124.837 122.820 0.019 0.000 2.267 5 A HA 0.388 4.708 4.320 0.000 0.000 0.213 5 A C 1.240 178.887 177.584 0.105 0.000 1.192 5 A CA 0.431 52.517 52.037 0.082 0.000 0.851 5 A CB 0.103 19.171 19.000 0.113 0.000 0.881 5 A HN 0.397 nan 8.150 nan 0.000 0.494 6 K N 2.069 122.493 120.400 0.039 0.000 2.412 6 K HA 0.183 4.503 4.320 0.000 0.000 0.281 6 K C -2.530 174.089 176.600 0.032 0.000 1.027 6 K CA -1.683 54.634 56.287 0.050 0.000 0.989 6 K CB 0.574 33.088 32.500 0.023 0.000 0.935 6 K HN 0.154 nan 8.250 nan 0.000 0.475 7 P HA -0.023 nan 4.420 nan 0.000 0.270 7 P C -0.460 176.883 177.300 0.071 0.000 1.223 7 P CA -0.215 62.936 63.100 0.086 0.000 0.785 7 P CB 0.286 32.067 31.700 0.135 0.000 0.923 8 F N 1.594 121.508 119.950 -0.062 0.000 2.413 8 F HA 0.452 4.975 4.527 -0.008 0.000 0.359 8 F C 1.017 176.793 175.800 -0.040 0.000 1.122 8 F CA 1.117 59.080 58.000 -0.061 0.000 1.160 8 F CB -0.314 38.637 39.000 -0.082 0.000 1.146 8 F HN 0.781 nan 8.300 nan 0.000 0.514 9 G N 3.832 112.244 108.800 -0.646 0.000 2.552 9 G HA2 0.152 4.112 3.960 0.000 0.000 0.265 9 G HA3 0.152 4.112 3.960 0.000 0.000 0.265 9 G C -0.597 174.166 174.900 -0.229 0.000 1.234 9 G CA 0.179 44.963 45.100 -0.525 0.000 0.944 9 G HN 1.232 nan 8.290 nan 0.000 0.568 10 E N -0.349 119.744 120.200 -0.178 0.000 2.369 10 E HA 0.728 5.078 4.350 0.000 0.000 0.270 10 E C -0.289 176.232 176.600 -0.132 0.000 0.909 10 E CA -0.609 55.724 56.400 -0.112 0.000 0.775 10 E CB 1.167 nan 29.700 nan 0.000 1.270 10 E HN 0.666 nan 8.360 nan 0.000 0.445 11 K N 1.360 121.681 120.400 -0.131 0.000 2.249 11 K HA 0.412 4.732 4.320 0.000 0.000 0.280 11 K C -0.568 175.805 176.600 -0.377 0.000 1.033 11 K CA -0.165 55.947 56.287 -0.291 0.000 0.946 11 K CB 0.930 33.250 32.500 -0.299 0.000 1.005 11 K HN 0.496 nan 8.250 nan 0.000 0.469 12 K N 1.588 121.580 120.400 -0.681 0.000 2.238 12 K HA 0.563 4.883 4.320 0.000 0.000 0.239 12 K C -0.632 175.377 176.600 -0.986 0.000 0.987 12 K CA -0.612 55.267 56.287 -0.679 0.000 0.857 12 K CB 0.988 33.045 32.500 -0.739 0.000 1.154 12 K HN 0.217 nan 8.250 nan 0.000 0.439 13 F N 0.938 120.749 119.950 -0.232 0.000 2.563 13 F HA 0.610 5.137 4.527 0.000 0.000 0.316 13 F C -0.444 175.459 175.800 0.171 0.000 1.076 13 F CA -0.943 57.059 58.000 0.002 0.000 0.921 13 F CB 1.536 40.543 39.000 0.011 0.000 1.209 13 F HN 0.280 nan 8.300 nan 0.000 0.462 14 I N 1.348 122.177 120.570 0.433 0.000 2.656 14 I HA 0.291 4.462 4.170 0.000 0.000 0.292 14 I C -1.067 175.198 176.117 0.246 0.000 1.144 14 I CA -0.535 60.962 61.300 0.328 0.000 1.038 14 I CB 1.722 39.933 38.000 0.352 0.000 1.244 14 I HN 0.535 nan 8.210 nan 0.000 0.420 15 E N 7.955 128.263 120.200 0.180 0.000 2.290 15 E HA 0.255 4.605 4.350 0.000 0.000 0.277 15 E C -1.430 175.252 176.600 0.136 0.000 1.035 15 E CA -0.142 56.345 56.400 0.145 0.000 0.873 15 E CB 0.879 30.642 29.700 0.106 0.000 1.029 15 E HN 0.401 nan 8.360 nan 0.000 0.419 16 I N 4.787 125.449 120.570 0.154 0.000 2.468 16 I HA 0.121 4.291 4.170 0.000 0.000 0.284 16 I C 0.296 176.525 176.117 0.187 0.000 1.038 16 I CA -0.512 60.883 61.300 0.159 0.000 1.083 16 I CB 1.239 39.358 38.000 0.197 0.000 1.223 16 I HN 0.695 nan 8.210 nan 0.000 0.443 17 K N 3.816 124.276 120.400 0.100 0.000 3.129 17 K HA -0.204 4.116 4.320 0.000 0.000 0.273 17 K C 0.905 177.574 176.600 0.115 0.000 1.123 17 K CA 0.784 57.108 56.287 0.062 0.000 0.800 17 K CB -1.351 31.116 32.500 -0.055 0.000 1.238 17 K HN 1.206 nan 8.250 nan 0.000 0.492 18 G N -0.314 108.546 108.800 0.101 0.000 2.160 18 G HA2 -0.339 3.621 3.960 0.000 0.000 0.251 18 G HA3 -0.339 3.621 3.960 0.000 0.000 0.251 18 G C 0.531 175.490 174.900 0.099 0.000 1.008 18 G CA 0.452 45.603 45.100 0.084 0.000 0.724 18 G HN 0.203 nan 8.290 nan 0.000 0.514 19 R N -0.282 120.301 120.500 0.137 0.000 2.531 19 R HA 0.264 4.604 4.340 0.000 0.000 0.316 19 R C 1.022 177.376 176.300 0.091 0.000 0.955 19 R CA 0.124 56.285 56.100 0.102 0.000 1.120 19 R CB -0.087 30.286 30.300 0.122 0.000 1.361 19 R HN 0.750 nan 8.270 nan 0.000 0.534 20 R N 1.536 122.115 120.500 0.131 0.000 2.022 20 R HA -0.181 4.159 4.340 0.000 0.000 0.334 20 R C -0.967 175.464 176.300 0.218 0.000 1.184 20 R CA 0.757 56.963 56.100 0.177 0.000 1.126 20 R CB -0.619 29.761 30.300 0.133 0.000 3.163 20 R HN 0.075 nan 8.270 nan 0.000 0.498 21 M N 3.665 123.420 119.600 0.259 0.000 2.508 21 M HA 0.599 5.079 4.480 0.000 0.000 0.327 21 M C 0.243 176.699 176.300 0.260 0.000 1.160 21 M CA -0.777 54.672 55.300 0.247 0.000 0.980 21 M CB 2.250 34.979 32.600 0.214 0.000 1.693 21 M HN 0.599 nan 8.290 nan 0.000 0.452 22 A N 2.312 125.200 122.820 0.112 0.000 2.312 22 A HA 0.857 5.177 4.320 0.000 0.000 0.326 22 A C -1.282 176.291 177.584 -0.018 0.000 1.172 22 A CA -0.399 51.448 52.037 -0.316 0.000 0.821 22 A CB 0.540 19.292 19.000 -0.413 0.000 1.166 22 A HN 0.866 nan 8.150 nan 0.000 0.493 23 Y N -0.986 119.157 120.300 -0.262 0.000 2.689 23 Y HA 0.749 5.299 4.550 0.000 0.000 0.333 23 Y C -1.245 174.615 175.900 -0.067 0.000 1.208 23 Y CA -1.588 56.476 58.100 -0.059 0.000 1.055 23 Y CB 0.784 39.263 38.460 0.033 0.000 1.304 23 Y HN 0.493 nan 8.280 nan 0.000 0.455 24 I N 2.013 122.686 120.570 0.173 0.000 2.412 24 I HA 0.385 4.556 4.170 0.000 0.000 0.296 24 I C -1.151 175.116 176.117 0.250 0.000 0.987 24 I CA -0.423 60.945 61.300 0.114 0.000 1.180 24 I CB 1.691 39.788 38.000 0.162 0.000 1.340 24 I HN 0.615 nan 8.210 nan 0.000 0.455 25 D N 6.032 126.532 120.400 0.168 0.000 2.336 25 D HA 0.258 4.898 4.640 0.000 0.000 0.248 25 D C -1.042 175.323 176.300 0.108 0.000 1.326 25 D CA -0.270 53.847 54.000 0.195 0.000 0.973 25 D CB 1.028 42.011 40.800 0.304 0.000 1.255 25 D HN 0.348 nan 8.370 nan 0.000 0.558 26 E N 1.324 121.598 120.200 0.124 0.000 2.248 26 E HA 0.642 4.992 4.350 0.000 0.000 0.267 26 E C 0.642 177.298 176.600 0.095 0.000 0.877 26 E CA -0.714 55.734 56.400 0.080 0.000 0.759 26 E CB 1.913 31.647 29.700 0.056 0.000 1.182 26 E HN 0.687 nan 8.360 nan 0.000 0.418 27 G N 1.866 110.701 108.800 0.058 0.000 2.627 27 G HA2 -0.160 3.800 3.960 0.000 0.000 0.214 27 G HA3 -0.160 3.800 3.960 0.000 0.000 0.214 27 G C -0.232 174.692 174.900 0.040 0.000 1.331 27 G CA -0.271 44.860 45.100 0.051 0.000 0.891 27 G HN 0.801 nan 8.290 nan 0.000 0.539 28 T N -2.636 111.938 114.554 0.033 0.000 2.907 28 T HA 1.020 5.370 4.350 0.000 0.000 0.290 28 T C 0.958 175.668 174.700 0.016 0.000 1.066 28 T CA 0.793 62.907 62.100 0.023 0.000 1.012 28 T CB 1.656 70.535 68.868 0.018 0.000 1.184 28 T HN 3.059 nan 8.240 nan 0.000 0.522 29 G N 0.802 109.607 108.800 0.008 0.000 2.582 29 G HA2 0.014 3.974 3.960 0.000 0.000 0.222 29 G HA3 0.014 3.974 3.960 0.000 0.000 0.222 29 G C -1.253 173.641 174.900 -0.011 0.000 1.311 29 G CA -0.461 44.639 45.100 0.000 0.000 0.915 29 G HN 0.972 nan 8.290 nan 0.000 0.528 30 D N 2.474 122.862 120.400 -0.020 0.000 2.443 30 D HA 0.396 5.036 4.640 0.000 0.000 0.239 30 D C -1.757 174.513 176.300 -0.049 0.000 1.136 30 D CA 0.034 54.012 54.000 -0.036 0.000 0.879 30 D CB 0.905 41.680 40.800 -0.041 0.000 1.195 30 D HN 0.263 nan 8.370 nan 0.000 0.443 31 P HA 0.225 nan 4.420 nan 0.000 0.275 31 P C -0.285 176.932 177.300 -0.139 0.000 1.228 31 P CA -0.175 62.862 63.100 -0.104 0.000 0.786 31 P CB 0.683 32.280 31.700 -0.171 0.000 0.927 32 I N 2.879 123.378 120.570 -0.117 0.000 2.405 32 I HA 0.224 4.394 4.170 0.000 0.000 0.280 32 I C -0.174 175.796 176.117 -0.246 0.000 1.027 32 I CA -0.888 60.286 61.300 -0.210 0.000 1.161 32 I CB 1.240 39.166 38.000 -0.124 0.000 1.300 32 I HN 0.091 nan 8.210 nan 0.000 0.463 33 L N 7.723 128.688 121.223 -0.431 0.000 2.255 33 L HA 0.496 4.836 4.340 0.000 0.000 0.289 33 L C -1.035 175.542 176.870 -0.489 0.000 1.046 33 L CA 0.107 54.692 54.840 -0.425 0.000 0.816 33 L CB 0.065 41.705 42.059 -0.698 0.000 1.197 33 L HN 0.198 nan 8.230 nan 0.000 0.427 34 F N 3.553 123.266 119.950 -0.396 0.000 2.415 34 F HA 0.587 5.116 4.527 0.004 0.000 0.348 34 F C 0.233 175.896 175.800 -0.228 0.000 1.119 34 F CA -0.641 56.954 58.000 -0.675 0.000 1.069 34 F CB 1.385 39.596 39.000 -1.317 0.000 1.124 34 F HN 0.374 nan 8.300 nan 0.000 0.472 35 Q N 3.902 123.817 119.800 0.191 0.000 2.327 35 Q HA 0.192 4.532 4.340 0.000 0.000 0.270 35 Q C -0.215 176.209 176.000 0.707 0.000 1.022 35 Q CA -0.655 55.428 55.803 0.468 0.000 0.773 35 Q CB 0.644 29.596 28.738 0.356 0.000 1.251 35 Q HN 0.692 nan 8.270 nan 0.000 0.457 36 H N 1.295 120.830 119.070 0.776 0.000 2.703 36 H HA 0.594 5.150 4.556 0.001 0.000 0.377 36 H C -0.288 175.257 175.328 0.362 0.000 1.392 36 H CA 0.286 56.663 56.048 0.550 0.000 1.458 36 H CB 0.592 30.605 29.762 0.420 0.000 1.529 36 H HN 0.636 nan 8.280 nan 0.000 0.619 37 G N 0.054 109.100 108.800 0.411 0.000 3.252 37 G HA2 0.132 4.092 3.960 0.000 0.000 0.181 37 G HA3 0.132 4.092 3.960 0.000 0.000 0.181 37 G C -0.727 174.370 174.900 0.329 0.000 1.187 37 G CA -0.822 44.379 45.100 0.168 0.000 0.886 37 G HN 0.710 nan 8.290 nan 0.000 0.615 38 N N 1.165 119.961 118.700 0.161 0.000 2.479 38 N HA 0.502 5.242 4.740 0.000 0.000 0.285 38 N C -2.307 173.416 175.510 0.356 0.000 1.075 38 N CA -1.921 51.218 53.050 0.149 0.000 0.967 38 N CB 2.040 40.465 38.487 -0.103 0.000 1.137 38 N HN 0.081 nan 8.380 nan 0.000 0.472 39 P HA 0.235 nan 4.420 nan 0.000 0.239 39 P C -0.744 176.713 177.300 0.261 0.000 1.880 39 P CA -0.183 62.964 63.100 0.079 0.000 1.088 39 P CB 0.337 31.979 31.700 -0.096 0.000 1.721 40 T N -0.031 114.733 114.554 0.350 0.000 2.910 40 T HA 0.609 4.960 4.350 0.000 0.000 0.279 40 T C 0.437 175.164 174.700 0.045 0.000 0.989 40 T CA -0.045 62.252 62.100 0.328 0.000 0.968 40 T CB 1.180 70.278 68.868 0.382 0.000 1.135 40 T HN 0.261 nan 8.240 nan 0.000 0.562 41 S N -0.878 114.705 115.700 -0.194 0.000 2.880 41 S HA 0.377 4.847 4.470 0.000 0.000 0.308 41 S C 1.503 175.974 174.600 -0.215 0.000 1.195 41 S CA 0.091 57.857 58.200 -0.722 0.000 0.866 41 S CB 0.616 63.703 63.200 -0.187 0.000 1.254 41 S HN 0.670 nan 8.310 nan 0.000 0.571 42 S N 0.032 115.778 115.700 0.077 0.000 2.400 42 S HA -0.210 4.260 4.470 0.000 0.000 0.232 42 S C 1.581 176.338 174.600 0.262 0.000 1.025 42 S CA 1.460 59.863 58.200 0.339 0.000 0.993 42 S CB -1.322 62.057 63.200 0.298 0.000 0.808 42 S HN 0.757 nan 8.310 nan 0.000 0.478 43 Y N 2.133 122.439 120.300 0.010 0.000 2.228 43 Y HA -0.155 4.396 4.550 0.002 0.000 0.285 43 Y C 2.160 178.018 175.900 -0.069 0.000 1.178 43 Y CA 1.417 59.470 58.100 -0.078 0.000 1.202 43 Y CB -0.360 37.934 38.460 -0.277 0.000 0.974 43 Y HN 0.290 nan 8.280 nan 0.000 0.527 44 L N -1.049 120.184 121.223 0.016 0.000 2.261 44 L HA -0.226 4.114 4.340 0.000 0.000 0.216 44 L C 0.870 177.495 176.870 -0.410 0.000 1.114 44 L CA 1.777 56.514 54.840 -0.170 0.000 0.777 44 L CB -0.546 41.327 42.059 -0.310 0.000 0.910 44 L HN 0.495 nan 8.230 nan 0.000 0.440 45 W N -0.026 121.250 121.300 -0.040 0.000 3.239 45 W HA 0.147 4.805 4.660 -0.004 0.000 0.348 45 W C 2.255 178.605 176.519 -0.281 0.000 1.183 45 W CA -0.473 56.777 57.345 -0.159 0.000 1.819 45 W CB -0.050 29.264 29.460 -0.243 0.000 1.091 45 W HN 0.084 nan 8.180 nan 0.000 0.629 46 R N 0.733 121.166 120.500 -0.111 0.000 2.170 46 R HA -0.141 4.199 4.340 0.000 0.000 0.242 46 R C 0.762 176.985 176.300 -0.128 0.000 1.145 46 R CA 1.567 57.589 56.100 -0.130 0.000 0.984 46 R CB -0.558 29.570 30.300 -0.286 0.000 0.869 46 R HN 0.137 nan 8.270 nan 0.000 0.455 47 N N -0.113 118.523 118.700 -0.107 0.000 2.205 47 N HA 0.178 4.918 4.740 0.000 0.000 0.201 47 N C 1.168 176.702 175.510 0.041 0.000 1.128 47 N CA 0.260 53.286 53.050 -0.040 0.000 0.867 47 N CB 0.579 39.052 38.487 -0.024 0.000 0.996 47 N HN 0.310 nan 8.380 nan 0.000 0.503 48 I N 0.041 120.613 120.570 0.003 0.000 2.947 48 I HA 0.061 4.232 4.170 0.000 0.000 0.263 48 I C 2.104 178.193 176.117 -0.047 0.000 1.130 48 I CA 0.291 61.648 61.300 0.095 0.000 1.448 48 I CB 0.028 38.155 38.000 0.211 0.000 1.222 48 I HN -0.090 nan 8.210 nan 0.000 0.453 49 M N 0.872 120.189 119.600 -0.472 0.000 2.108 49 M HA -0.193 4.287 4.480 0.000 0.000 0.257 49 M C -0.586 175.308 176.300 -0.677 0.000 1.071 49 M CA 2.428 57.199 55.300 -0.883 0.000 1.093 49 M CB -1.497 30.190 32.600 -1.522 0.000 1.345 49 M HN 0.067 nan 8.290 nan 0.000 0.403 50 P HA -0.173 nan 4.420 nan 0.000 0.217 50 P C 0.656 177.868 177.300 -0.147 0.000 1.148 50 P CA 1.537 64.495 63.100 -0.236 0.000 0.834 50 P CB -0.282 31.324 31.700 -0.157 0.000 0.783 51 H N -2.828 116.193 119.070 -0.081 0.000 2.521 51 H HA 0.015 4.573 4.556 0.005 0.000 0.286 51 H C 1.346 176.681 175.328 0.011 0.000 1.034 51 H CA 0.877 56.917 56.048 -0.014 0.000 1.278 51 H CB -0.614 29.151 29.762 0.004 0.000 1.386 51 H HN 0.169 nan 8.280 nan 0.000 0.567 52 C N 0.739 120.103 119.300 0.107 0.000 2.791 52 C HA 0.520 4.980 4.460 0.000 0.000 0.270 52 C C 1.311 176.348 174.990 0.079 0.000 1.257 52 C CA -0.343 58.740 59.018 0.108 0.000 1.699 52 C CB -1.353 26.490 27.740 0.171 0.000 1.904 52 C HN 0.566 nan 8.230 nan 0.000 0.603 53 A N 0.507 123.366 122.820 0.064 0.000 2.587 53 A HA 0.385 4.705 4.320 0.000 0.000 0.235 53 A C 1.537 179.158 177.584 0.063 0.000 1.044 53 A CA 1.224 53.312 52.037 0.084 0.000 0.754 53 A CB -0.489 18.560 19.000 0.082 0.000 0.968 53 A HN 1.547 nan 8.150 nan 0.000 0.509 54 G N 0.885 109.722 108.800 0.061 0.000 2.196 54 G HA2 -0.268 3.692 3.960 0.000 0.000 0.268 54 G HA3 -0.268 3.692 3.960 0.000 0.000 0.268 54 G C 0.577 175.498 174.900 0.035 0.000 0.975 54 G CA 0.772 45.897 45.100 0.042 0.000 0.648 54 G HN 0.888 nan 8.290 nan 0.000 0.538 55 L N -0.193 121.055 121.223 0.042 0.000 2.585 55 L HA 0.516 4.856 4.340 0.000 0.000 0.226 55 L C 1.464 178.344 176.870 0.016 0.000 1.113 55 L CA 0.657 55.513 54.840 0.027 0.000 0.876 55 L CB 0.048 42.128 42.059 0.034 0.000 1.072 55 L HN 0.727 nan 8.230 nan 0.000 0.468 56 G N 0.131 108.948 108.800 0.029 0.000 2.345 56 G HA2 0.075 4.035 3.960 0.000 0.000 0.285 56 G HA3 0.075 4.035 3.960 0.000 0.000 0.285 56 G C -1.541 173.383 174.900 0.039 0.000 1.297 56 G CA -0.910 44.201 45.100 0.018 0.000 0.875 56 G HN -0.030 nan 8.290 nan 0.000 0.506 57 R N 0.486 121.000 120.500 0.024 0.000 2.196 57 R HA 0.555 4.895 4.340 0.000 0.000 0.340 57 R C -0.455 175.885 176.300 0.067 0.000 1.043 57 R CA -0.514 55.610 56.100 0.041 0.000 0.883 57 R CB -0.019 30.289 30.300 0.013 0.000 1.078 57 R HN 0.386 nan 8.270 nan 0.000 0.462 58 L N 6.922 128.220 121.223 0.126 0.000 2.260 58 L HA 0.428 4.768 4.340 0.000 0.000 0.289 58 L C -0.178 176.801 176.870 0.182 0.000 1.057 58 L CA -0.407 54.546 54.840 0.188 0.000 0.811 58 L CB 0.966 43.152 42.059 0.211 0.000 1.184 58 L HN 0.562 nan 8.230 nan 0.000 0.429 59 I N 3.142 123.816 120.570 0.174 0.000 2.498 59 I HA 0.641 4.811 4.170 0.000 0.000 0.290 59 I C -0.287 175.940 176.117 0.184 0.000 1.032 59 I CA -0.481 60.905 61.300 0.142 0.000 1.073 59 I CB 2.158 40.157 38.000 -0.003 0.000 1.251 59 I HN 0.659 nan 8.210 nan 0.000 0.426 60 A N 5.521 128.479 122.820 0.230 0.000 2.411 60 A HA 0.608 4.928 4.320 0.000 0.000 0.285 60 A C -0.903 176.895 177.584 0.357 0.000 1.129 60 A CA -0.360 51.848 52.037 0.286 0.000 0.736 60 A CB 0.804 19.966 19.000 0.271 0.000 1.186 60 A HN 0.739 nan 8.150 nan 0.000 0.445 61 C N 1.530 121.073 119.300 0.405 0.000 2.405 61 C HA 0.572 5.032 4.460 0.000 0.000 0.365 61 C C -0.104 175.177 174.990 0.485 0.000 1.233 61 C CA -0.413 58.858 59.018 0.421 0.000 2.230 61 C CB 0.617 28.622 27.740 0.442 0.000 2.443 61 C HN 0.768 nan 8.230 nan 0.000 0.556 62 D N 2.482 123.132 120.400 0.416 0.000 2.317 62 D HA 0.376 5.016 4.640 0.000 0.000 0.234 62 D C 0.177 176.746 176.300 0.448 0.000 1.112 62 D CA 0.021 54.323 54.000 0.504 0.000 0.840 62 D CB 0.807 41.768 40.800 0.269 0.000 1.078 62 D HN 0.378 nan 8.370 nan 0.000 0.486 63 L N 1.839 123.389 121.223 0.544 0.000 2.492 63 L HA 0.022 4.362 4.340 0.000 0.000 0.280 63 L C 0.965 178.062 176.870 0.377 0.000 1.240 63 L CA -0.372 54.693 54.840 0.376 0.000 0.831 63 L CB 0.178 42.433 42.059 0.325 0.000 1.100 63 L HN 0.301 nan 8.230 nan 0.000 0.505 64 I N 1.366 122.128 120.570 0.320 0.000 2.692 64 I HA 0.185 4.355 4.170 0.000 0.000 0.284 64 I C 1.152 177.409 176.117 0.235 0.000 1.159 64 I CA 1.460 62.821 61.300 0.101 0.000 1.423 64 I CB 0.862 38.677 38.000 -0.309 0.000 1.380 64 I HN 0.765 nan 8.210 nan 0.000 0.580 65 G N 5.454 114.360 108.800 0.178 0.000 2.184 65 G HA2 -0.269 3.691 3.960 0.000 0.000 0.264 65 G HA3 -0.269 3.691 3.960 0.000 0.000 0.264 65 G C 0.272 175.236 174.900 0.107 0.000 0.975 65 G CA 0.651 45.845 45.100 0.157 0.000 0.642 65 G HN 0.553 nan 8.290 nan 0.000 0.536 66 M N -0.722 118.995 119.600 0.195 0.000 2.761 66 M HA 0.587 5.067 4.480 0.000 0.000 0.305 66 M C 1.429 177.774 176.300 0.076 0.000 1.235 66 M CA -0.144 55.279 55.300 0.206 0.000 0.850 66 M CB 1.638 34.538 32.600 0.500 0.000 1.744 66 M HN 1.099 nan 8.290 nan 0.000 0.480 67 G N 0.822 109.605 108.800 -0.029 0.000 2.627 67 G HA2 -0.262 3.698 3.960 0.000 0.000 0.312 67 G HA3 -0.262 3.698 3.960 0.000 0.000 0.312 67 G C 0.104 174.981 174.900 -0.039 0.000 1.299 67 G CA 0.603 45.673 45.100 -0.050 0.000 0.989 67 G HN 0.837 nan 8.290 nan 0.000 0.547 68 D N 1.091 121.511 120.400 0.035 0.000 2.328 68 D HA 0.247 4.888 4.640 0.000 0.000 0.226 68 D C 1.056 177.488 176.300 0.220 0.000 1.066 68 D CA 0.569 54.646 54.000 0.129 0.000 0.861 68 D CB 0.059 40.984 40.800 0.209 0.000 0.912 68 D HN 0.224 nan 8.370 nan 0.000 0.521 69 S N 1.052 116.840 115.700 0.146 0.000 2.576 69 S HA 0.030 4.500 4.470 0.000 0.000 0.276 69 S C 0.185 174.848 174.600 0.105 0.000 1.339 69 S CA -0.532 57.765 58.200 0.162 0.000 1.039 69 S CB 1.185 64.477 63.200 0.154 0.000 0.902 69 S HN 0.092 nan 8.310 nan 0.000 0.516 70 D N 2.449 122.905 120.400 0.094 0.000 2.478 70 D HA 0.061 4.701 4.640 0.000 0.000 0.234 70 D C 0.286 176.600 176.300 0.024 0.000 1.154 70 D CA 0.466 54.490 54.000 0.040 0.000 0.874 70 D CB 0.471 41.284 40.800 0.022 0.000 1.198 70 D HN 0.205 nan 8.370 nan 0.000 0.455 71 K N 1.347 121.764 120.400 0.028 0.000 2.126 71 K HA 0.328 4.648 4.320 0.000 0.000 0.257 71 K C 0.128 176.752 176.600 0.039 0.000 1.007 71 K CA -0.531 55.805 56.287 0.081 0.000 0.928 71 K CB 0.743 33.289 32.500 0.077 0.000 1.013 71 K HN 0.372 nan 8.250 nan 0.000 0.473 72 L N 1.103 122.370 121.223 0.074 0.000 2.371 72 L HA 0.272 4.613 4.340 0.000 0.000 0.272 72 L C 0.463 177.297 176.870 -0.060 0.000 1.124 72 L CA 0.059 54.812 54.840 -0.145 0.000 0.816 72 L CB 1.061 42.785 42.059 -0.558 0.000 1.129 72 L HN 0.791 nan 8.230 nan 0.000 0.448 73 D N 3.732 124.092 120.400 -0.067 0.000 2.990 73 D HA 0.574 5.215 4.640 0.000 0.000 0.227 73 D C -2.381 173.896 176.300 -0.040 0.000 1.249 73 D CA -0.997 52.983 54.000 -0.033 0.000 0.891 73 D CB 1.675 42.468 40.800 -0.012 0.000 1.647 73 D HN 0.435 nan 8.370 nan 0.000 0.530 74 P HA 0.516 nan 4.420 nan 0.000 0.278 74 P C -0.266 177.013 177.300 -0.035 0.000 1.238 74 P CA -0.256 62.830 63.100 -0.025 0.000 0.794 74 P CB 1.684 33.372 31.700 -0.019 0.000 0.955 75 S N 0.294 115.993 115.700 -0.000 0.000 2.608 75 S HA 0.797 5.267 4.470 0.000 0.000 0.291 75 S C -0.025 174.590 174.600 0.026 0.000 1.146 75 S CA 0.066 58.281 58.200 0.026 0.000 1.043 75 S CB 0.793 64.080 63.200 0.146 0.000 1.037 75 S HN 0.865 nan 8.310 nan 0.000 0.520 76 G N 2.104 110.922 108.800 0.030 0.000 2.548 76 G HA2 0.477 4.438 3.960 0.000 0.000 0.301 76 G HA3 0.477 4.438 3.960 0.000 0.000 0.301 76 G C -2.802 172.113 174.900 0.025 0.000 1.349 76 G CA -0.815 44.297 45.100 0.020 0.000 0.792 76 G HN 0.406 nan 8.290 nan 0.000 0.481 77 P HA -0.003 nan 4.420 nan 0.000 0.219 77 P C 1.085 178.387 177.300 0.003 0.000 1.146 77 P CA 1.013 64.121 63.100 0.013 0.000 0.808 77 P CB 0.397 32.105 31.700 0.013 0.000 0.779 78 E N -1.158 119.036 120.200 -0.011 0.000 2.479 78 E HA 0.065 4.415 4.350 0.000 0.000 0.193 78 E C 0.796 177.357 176.600 -0.065 0.000 1.049 78 E CA 0.033 56.416 56.400 -0.028 0.000 0.870 78 E CB -0.043 29.641 29.700 -0.027 0.000 0.944 78 E HN 0.123 nan 8.360 nan 0.000 0.492 79 R N -0.697 119.763 120.500 -0.067 0.000 2.549 79 R HA 0.128 4.468 4.340 0.000 0.000 0.267 79 R C -0.384 175.834 176.300 -0.137 0.000 1.045 79 R CA -0.282 55.702 56.100 -0.193 0.000 1.115 79 R CB 0.118 30.250 30.300 -0.280 0.000 1.121 79 R HN -0.037 nan 8.270 nan 0.000 0.543 80 Y N -1.335 118.788 120.300 -0.296 0.000 4.409 80 Y HA -0.286 4.264 4.550 0.001 0.000 0.228 80 Y C 0.346 175.957 175.900 -0.482 0.000 1.108 80 Y CA 0.594 58.389 58.100 -0.508 0.000 1.955 80 Y CB -2.456 35.713 38.460 -0.485 0.000 1.615 80 Y HN 0.677 nan 8.280 nan 0.000 0.665 81 A N -0.282 122.417 122.820 -0.201 0.000 2.409 81 A HA 0.230 4.550 4.320 0.000 0.000 0.246 81 A C 1.156 178.666 177.584 -0.123 0.000 1.099 81 A CA 0.375 52.327 52.037 -0.142 0.000 0.789 81 A CB -0.015 18.960 19.000 -0.040 0.000 1.053 81 A HN 0.473 nan 8.150 nan 0.000 0.503 82 Y N 0.815 121.045 120.300 -0.117 0.000 2.114 82 Y HA -0.226 4.324 4.550 -0.000 0.000 0.282 82 Y C 2.462 178.429 175.900 0.111 0.000 1.165 82 Y CA 2.890 61.026 58.100 0.060 0.000 1.148 82 Y CB -0.610 37.967 38.460 0.194 0.000 0.972 82 Y HN 0.623 nan 8.280 nan 0.000 0.504 83 A N -0.189 122.726 122.820 0.158 0.000 1.978 83 A HA -0.276 4.044 4.320 0.000 0.000 0.220 83 A C 2.202 179.752 177.584 -0.056 0.000 1.170 83 A CA 2.037 54.112 52.037 0.063 0.000 0.636 83 A CB -0.867 18.191 19.000 0.098 0.000 0.810 83 A HN 0.705 nan 8.150 nan 0.000 0.448 84 E N -1.431 118.724 120.200 -0.076 0.000 2.112 84 E HA -0.169 4.181 4.350 0.000 0.000 0.190 84 E C 1.738 178.327 176.600 -0.019 0.000 0.979 84 E CA 0.876 57.223 56.400 -0.088 0.000 0.814 84 E CB -0.182 29.422 29.700 -0.161 0.000 0.762 84 E HN 0.812 nan 8.360 nan 0.000 0.460 85 H N -0.203 118.815 119.070 -0.086 0.000 2.321 85 H HA -0.036 4.520 4.556 0.000 0.000 0.300 85 H C 2.213 177.494 175.328 -0.078 0.000 1.087 85 H CA 1.812 57.841 56.048 -0.033 0.000 1.319 85 H CB 0.076 29.808 29.762 -0.050 0.000 1.379 85 H HN 0.002 nan 8.280 nan 0.000 0.501 86 R N 0.728 121.155 120.500 -0.123 0.000 2.096 86 R HA -0.145 4.195 4.340 0.000 0.000 0.235 86 R C 1.077 177.328 176.300 -0.082 0.000 1.127 86 R CA 1.861 57.860 56.100 -0.168 0.000 0.968 86 R CB 0.052 30.192 30.300 -0.266 0.000 0.861 86 R HN 0.321 nan 8.270 nan 0.000 0.440 87 D N -0.568 119.780 120.400 -0.088 0.000 2.178 87 D HA -0.140 4.500 4.640 0.000 0.000 0.202 87 D C 1.422 177.609 176.300 -0.188 0.000 0.974 87 D CA 1.152 55.065 54.000 -0.145 0.000 0.841 87 D CB -0.137 40.529 40.800 -0.223 0.000 0.953 87 D HN 0.348 nan 8.370 nan 0.000 0.478 88 Y N -0.047 120.206 120.300 -0.079 0.000 2.286 88 Y HA -0.034 4.517 4.550 0.000 0.000 0.293 88 Y C 2.094 177.940 175.900 -0.090 0.000 1.124 88 Y CA 0.200 58.263 58.100 -0.060 0.000 1.178 88 Y CB -0.039 38.393 38.460 -0.046 0.000 1.010 88 Y HN -0.064 nan 8.280 nan 0.000 0.536 89 L N 0.231 121.442 121.223 -0.019 0.000 2.072 89 L HA -0.171 4.169 4.340 0.000 0.000 0.205 89 L C 1.554 178.189 176.870 -0.392 0.000 1.079 89 L CA 1.812 56.465 54.840 -0.312 0.000 0.752 89 L CB -0.749 40.999 42.059 -0.520 0.000 0.906 89 L HN 0.054 nan 8.230 nan 0.000 0.436 90 D N -0.228 120.071 120.400 -0.168 0.000 2.116 90 D HA -0.195 4.445 4.640 0.000 0.000 0.193 90 D C 2.170 178.522 176.300 0.087 0.000 0.998 90 D CA 1.673 55.704 54.000 0.050 0.000 0.836 90 D CB -0.189 40.686 40.800 0.126 0.000 0.951 90 D HN 0.461 nan 8.370 nan 0.000 0.449 91 A N -0.074 122.764 122.820 0.030 0.000 1.968 91 A HA -0.057 4.263 4.320 0.000 0.000 0.217 91 A C 2.054 179.680 177.584 0.070 0.000 1.169 91 A CA 0.694 52.761 52.037 0.050 0.000 0.638 91 A CB -0.511 18.493 19.000 0.007 0.000 0.812 91 A HN 0.244 nan 8.150 nan 0.000 0.446 92 L N -1.497 119.756 121.223 0.051 0.000 2.027 92 L HA -0.066 4.274 4.340 0.000 0.000 0.206 92 L C 2.079 179.048 176.870 0.165 0.000 1.074 92 L CA 1.707 56.591 54.840 0.073 0.000 0.745 92 L CB -0.675 41.417 42.059 0.054 0.000 0.898 92 L HN 0.554 nan 8.230 nan 0.000 0.433 93 W N 0.134 121.379 121.300 -0.092 0.000 2.425 93 W HA -0.091 4.569 4.660 0.000 0.000 0.277 93 W C 2.631 179.112 176.519 -0.064 0.000 1.231 93 W CA 1.120 58.369 57.345 -0.160 0.000 1.248 93 W CB -0.767 28.494 29.460 -0.332 0.000 1.117 93 W HN 0.321 nan 8.180 nan 0.000 0.568 94 E N 0.439 120.775 120.200 0.227 0.000 2.072 94 E HA -0.095 4.255 4.350 0.000 0.000 0.190 94 E C 2.238 178.895 176.600 0.095 0.000 0.982 94 E CA 1.882 58.380 56.400 0.163 0.000 0.803 94 E CB -0.527 29.262 29.700 0.148 0.000 0.755 94 E HN -0.016 nan 8.360 nan 0.000 0.453 95 A N 0.358 123.223 122.820 0.075 0.000 2.015 95 A HA -0.033 4.287 4.320 0.000 0.000 0.219 95 A C 2.069 179.660 177.584 0.012 0.000 1.163 95 A CA 0.852 52.916 52.037 0.045 0.000 0.646 95 A CB -0.491 18.536 19.000 0.044 0.000 0.806 95 A HN 0.343 nan 8.150 nan 0.000 0.448 96 L N -0.763 120.447 121.223 -0.022 0.000 2.552 96 L HA -0.035 4.305 4.340 0.000 0.000 0.227 96 L C 0.093 176.941 176.870 -0.037 0.000 1.146 96 L CA 0.237 55.030 54.840 -0.079 0.000 0.858 96 L CB -0.546 41.410 42.059 -0.171 0.000 0.969 96 L HN 0.336 nan 8.230 nan 0.000 0.451 97 D N 0.629 121.029 120.400 -0.001 0.000 3.205 97 D HA -0.205 4.435 4.640 0.000 0.000 0.227 97 D C 0.672 176.964 176.300 -0.012 0.000 1.171 97 D CA 0.463 54.470 54.000 0.011 0.000 0.929 97 D CB -0.637 40.174 40.800 0.018 0.000 0.900 97 D HN 0.188 nan 8.370 nan 0.000 0.404 98 L N 0.961 122.170 121.223 -0.022 0.000 2.375 98 L HA 0.265 4.605 4.340 0.000 0.000 0.215 98 L C 1.990 178.846 176.870 -0.024 0.000 1.108 98 L CA 0.603 55.403 54.840 -0.067 0.000 0.830 98 L CB -0.397 41.570 42.059 -0.153 0.000 0.959 98 L HN 0.659 nan 8.230 nan 0.000 0.457 99 G N 1.561 110.373 108.800 0.020 0.000 2.632 99 G HA2 -0.286 3.674 3.960 0.000 0.000 0.224 99 G HA3 -0.286 3.674 3.960 0.000 0.000 0.224 99 G C -0.375 174.561 174.900 0.061 0.000 1.341 99 G CA 0.047 45.166 45.100 0.032 0.000 0.880 99 G HN 0.411 nan 8.290 nan 0.000 0.566 100 D N -1.071 119.359 120.400 0.050 0.000 2.538 100 D HA 0.280 4.920 4.640 0.000 0.000 0.231 100 D C 0.938 177.266 176.300 0.048 0.000 1.229 100 D CA -0.216 53.823 54.000 0.065 0.000 0.828 100 D CB 0.314 41.145 40.800 0.051 0.000 1.035 100 D HN 0.365 nan 8.370 nan 0.000 0.495 101 R N 0.899 121.414 120.500 0.025 0.000 2.782 101 R HA 0.292 4.632 4.340 0.000 0.000 0.293 101 R C -0.911 175.375 176.300 -0.023 0.000 1.333 101 R CA -0.432 55.670 56.100 0.003 0.000 1.479 101 R CB 1.275 31.567 30.300 -0.014 0.000 1.306 101 R HN 0.009 nan 8.270 nan 0.000 0.654 102 V N 1.382 121.294 119.914 -0.003 0.000 2.465 102 V HA 0.303 4.423 4.120 0.000 0.000 0.279 102 V C 0.635 176.685 176.094 -0.072 0.000 1.045 102 V CA -0.705 61.554 62.300 -0.068 0.000 0.938 102 V CB 2.055 33.825 31.823 -0.089 0.000 0.986 102 V HN 0.001 nan 8.190 nan 0.000 0.467 103 V N 6.570 126.398 119.914 -0.143 0.000 2.427 103 V HA 0.414 4.534 4.120 0.000 0.000 0.286 103 V C -0.029 175.943 176.094 -0.202 0.000 1.034 103 V CA -0.419 61.797 62.300 -0.139 0.000 0.893 103 V CB 1.542 33.258 31.823 -0.177 0.000 0.982 103 V HN 0.618 nan 8.190 nan 0.000 0.452 104 L N 5.471 126.635 121.223 -0.098 0.000 2.295 104 L HA 0.590 4.931 4.340 0.000 0.000 0.285 104 L C -0.653 176.131 176.870 -0.145 0.000 1.035 104 L CA -0.644 54.111 54.840 -0.142 0.000 0.806 104 L CB 1.888 43.969 42.059 0.035 0.000 1.214 104 L HN 0.354 nan 8.230 nan 0.000 0.426 105 V N 4.663 124.361 119.914 -0.360 0.000 2.326 105 V HA 0.439 4.559 4.120 0.000 0.000 0.281 105 V C -0.110 175.844 176.094 -0.232 0.000 1.015 105 V CA -0.609 61.442 62.300 -0.416 0.000 0.823 105 V CB 1.615 32.799 31.823 -1.065 0.000 1.009 105 V HN 0.526 nan 8.190 nan 0.000 0.436 106 V N 1.116 121.072 119.914 0.070 0.000 3.001 106 V HA 0.729 4.849 4.120 0.000 0.000 0.314 106 V C -0.848 175.472 176.094 0.377 0.000 1.099 106 V CA -0.573 61.849 62.300 0.204 0.000 0.989 106 V CB 2.273 34.099 31.823 0.006 0.000 1.040 106 V HN 0.910 nan 8.190 nan 0.000 0.434 107 H N 1.006 120.223 119.070 0.245 0.000 2.954 107 H HA 0.328 4.886 4.556 0.003 0.000 0.361 107 H C 0.122 175.453 175.328 0.006 0.000 1.122 107 H CA 0.601 56.726 56.048 0.129 0.000 1.217 107 H CB 2.464 32.325 29.762 0.164 0.000 1.776 107 H HN 1.153 nan 8.280 nan 0.000 0.533 108 D N 2.602 122.640 120.400 -0.605 0.000 3.899 108 D HA -0.347 4.293 4.640 0.000 0.000 0.146 108 D C 0.745 176.783 176.300 -0.437 0.000 0.820 108 D CA 2.746 56.423 54.000 -0.538 0.000 1.056 108 D CB -1.034 39.437 40.800 -0.548 0.000 0.474 108 D HN 0.656 nan 8.370 nan 0.000 0.457 109 W N 0.468 121.545 121.300 -0.372 0.000 2.678 109 W HA 0.302 4.962 4.660 -0.001 0.000 0.256 109 W C 2.416 178.743 176.519 -0.320 0.000 1.280 109 W CA 0.470 57.509 57.345 -0.509 0.000 1.345 109 W CB -0.295 28.377 29.460 -1.313 0.000 1.118 109 W HN 0.395 nan 8.180 nan 0.000 0.629 110 G N -0.022 108.760 108.800 -0.030 0.000 2.432 110 G HA2 -0.319 3.641 3.960 0.000 0.000 0.219 110 G HA3 -0.319 3.641 3.960 0.000 0.000 0.219 110 G C 1.601 176.476 174.900 -0.041 0.000 1.135 110 G CA 1.542 46.665 45.100 0.040 0.000 0.767 110 G HN 0.311 nan 8.290 nan 0.000 0.550 111 S N 0.799 116.366 115.700 -0.221 0.000 2.395 111 S HA 0.311 4.782 4.470 0.000 0.000 0.225 111 S C 2.605 176.788 174.600 -0.695 0.000 1.027 111 S CA 1.231 59.026 58.200 -0.677 0.000 0.965 111 S CB -0.330 62.402 63.200 -0.780 0.000 0.812 111 S HN 0.513 nan 8.310 nan 0.000 0.482 112 A N 1.820 124.488 122.820 -0.253 0.000 1.933 112 A HA 0.169 4.490 4.320 0.000 0.000 0.218 112 A C 2.296 180.054 177.584 0.290 0.000 1.175 112 A CA 1.348 53.429 52.037 0.074 0.000 0.628 112 A CB -0.790 18.369 19.000 0.264 0.000 0.814 112 A HN 0.542 nan 8.150 nan 0.000 0.444 113 L N -1.119 120.302 121.223 0.330 0.000 2.068 113 L HA -0.012 4.329 4.340 0.000 0.000 0.204 113 L C 2.846 179.875 176.870 0.265 0.000 1.076 113 L CA 0.981 56.026 54.840 0.343 0.000 0.753 113 L CB -0.643 41.513 42.059 0.161 0.000 0.910 113 L HN 0.470 nan 8.230 nan 0.000 0.439 114 G N -0.433 108.483 108.800 0.193 0.000 2.404 114 G HA2 -0.250 3.710 3.960 0.000 0.000 0.215 114 G HA3 -0.250 3.710 3.960 0.000 0.000 0.215 114 G C 1.369 176.509 174.900 0.401 0.000 1.174 114 G CA 0.336 45.638 45.100 0.336 0.000 0.780 114 G HN 0.122 nan 8.290 nan 0.000 0.537 115 F N 1.559 121.531 119.950 0.037 0.000 2.126 115 F HA -0.051 4.476 4.527 0.000 0.000 0.299 115 F C 2.307 178.087 175.800 -0.033 0.000 1.096 115 F CA 0.983 58.892 58.000 -0.151 0.000 1.255 115 F CB -0.981 37.566 39.000 -0.756 0.000 0.997 115 F HN 0.207 nan 8.300 nan 0.000 0.479 116 D N -1.244 119.312 120.400 0.259 0.000 2.097 116 D HA -0.250 4.390 4.640 0.000 0.000 0.195 116 D C 2.214 178.716 176.300 0.337 0.000 0.989 116 D CA 1.287 55.542 54.000 0.424 0.000 0.827 116 D CB -0.507 40.651 40.800 0.596 0.000 0.966 116 D HN 0.282 nan 8.370 nan 0.000 0.456 117 W N 1.250 122.697 121.300 0.246 0.000 2.335 117 W HA -0.202 4.460 4.660 0.002 0.000 0.311 117 W C 2.376 179.064 176.519 0.281 0.000 1.213 117 W CA 2.694 60.219 57.345 0.299 0.000 1.274 117 W CB -0.555 29.107 29.460 0.338 0.000 1.148 117 W HN 0.064 nan 8.180 nan 0.000 0.498 118 A N 0.413 123.548 122.820 0.523 0.000 1.883 118 A HA -0.258 4.062 4.320 0.000 0.000 0.217 118 A C 2.036 179.423 177.584 -0.327 0.000 1.186 118 A CA 2.091 54.293 52.037 0.275 0.000 0.624 118 A CB -1.100 18.172 19.000 0.454 0.000 0.822 118 A HN 0.433 nan 8.150 nan 0.000 0.444 119 R N -0.482 119.661 120.500 -0.595 0.000 2.096 119 R HA -0.151 4.189 4.340 0.000 0.000 0.240 119 R C 2.352 178.207 176.300 -0.742 0.000 1.139 119 R CA 1.890 57.283 56.100 -1.179 0.000 0.952 119 R CB -0.250 29.631 30.300 -0.698 0.000 0.854 119 R HN 0.525 nan 8.270 nan 0.000 0.436 120 R N -1.311 118.904 120.500 -0.475 0.000 2.189 120 R HA -0.071 4.269 4.340 0.000 0.000 0.218 120 R C 0.378 176.176 176.300 -0.836 0.000 1.074 120 R CA 1.120 56.878 56.100 -0.570 0.000 0.991 120 R CB 0.052 30.057 30.300 -0.491 0.000 0.883 120 R HN 0.448 nan 8.270 nan 0.000 0.457 121 H N -0.673 118.024 119.070 -0.621 0.000 2.587 121 H HA 0.152 4.709 4.556 0.001 0.000 0.245 121 H C 0.909 176.023 175.328 -0.356 0.000 1.238 121 H CA -0.405 55.286 56.048 -0.594 0.000 0.963 121 H CB 0.320 29.420 29.762 -1.102 0.000 1.904 121 H HN 0.118 nan 8.280 nan 0.000 0.584 122 R N 0.714 121.079 120.500 -0.225 0.000 2.117 122 R HA -0.163 4.177 4.340 0.000 0.000 0.243 122 R C 0.599 176.937 176.300 0.064 0.000 1.143 122 R CA 1.575 57.652 56.100 -0.039 0.000 0.968 122 R CB -0.092 30.205 30.300 -0.004 0.000 0.863 122 R HN 0.257 nan 8.270 nan 0.000 0.444 123 E N 1.069 121.275 120.200 0.009 0.000 2.265 123 E HA -0.135 4.215 4.350 0.000 0.000 0.196 123 E C 1.583 178.216 176.600 0.055 0.000 0.996 123 E CA 1.025 57.443 56.400 0.030 0.000 0.832 123 E CB -0.074 29.626 29.700 0.001 0.000 0.756 123 E HN 0.565 nan 8.360 nan 0.000 0.491 124 R N 0.288 120.832 120.500 0.074 0.000 2.393 124 R HA 0.161 4.502 4.340 0.000 0.000 0.244 124 R C 0.040 176.435 176.300 0.159 0.000 0.920 124 R CA -0.053 56.117 56.100 0.117 0.000 1.076 124 R CB 0.871 31.269 30.300 0.163 0.000 1.119 124 R HN -0.141 nan 8.270 nan 0.000 0.524 125 V N 1.786 121.798 119.914 0.163 0.000 2.304 125 V HA 0.072 4.192 4.120 0.000 0.000 0.269 125 V C 1.097 177.259 176.094 0.113 0.000 1.036 125 V CA -0.245 62.168 62.300 0.187 0.000 0.840 125 V CB 1.239 33.226 31.823 0.273 0.000 1.036 125 V HN 0.221 nan 8.190 nan 0.000 0.466 126 Q N 3.621 123.453 119.800 0.053 0.000 2.119 126 Q HA 0.128 4.469 4.340 0.000 0.000 0.201 126 Q C 0.868 176.853 176.000 -0.024 0.000 0.972 126 Q CA 1.312 57.110 55.803 -0.007 0.000 0.847 126 Q CB 0.361 29.063 28.738 -0.060 0.000 0.903 126 Q HN 0.915 nan 8.270 nan 0.000 0.433 127 G N -0.527 108.282 108.800 0.015 0.000 2.616 127 G HA2 0.463 4.423 3.960 0.000 0.000 0.294 127 G HA3 0.463 4.423 3.960 0.000 0.000 0.294 127 G C -1.743 173.282 174.900 0.209 0.000 1.489 127 G CA -0.839 44.304 45.100 0.071 0.000 0.836 127 G HN 0.137 nan 8.290 nan 0.000 0.527 128 I N 1.126 121.915 120.570 0.365 0.000 2.410 128 I HA 0.606 4.776 4.170 0.000 0.000 0.286 128 I C 0.365 176.758 176.117 0.460 0.000 1.009 128 I CA -0.859 60.665 61.300 0.373 0.000 1.111 128 I CB 2.149 40.350 38.000 0.335 0.000 1.262 128 I HN 0.669 nan 8.210 nan 0.000 0.443 129 A N 6.798 129.833 122.820 0.358 0.000 2.271 129 A HA 0.780 5.100 4.320 0.000 0.000 0.317 129 A C -1.086 176.702 177.584 0.340 0.000 1.245 129 A CA -0.338 51.840 52.037 0.235 0.000 0.857 129 A CB 0.370 19.419 19.000 0.081 0.000 1.175 129 A HN 0.659 nan 8.150 nan 0.000 0.512 130 Y N 0.349 120.774 120.300 0.209 0.000 2.576 130 Y HA 0.849 5.399 4.550 0.001 0.000 0.346 130 Y C -0.718 175.343 175.900 0.268 0.000 1.018 130 Y CA -2.107 56.155 58.100 0.270 0.000 1.050 130 Y CB 1.485 40.233 38.460 0.479 0.000 1.280 130 Y HN 0.792 nan 8.280 nan 0.000 0.474 131 M N 0.625 120.366 119.600 0.235 0.000 2.426 131 M HA 0.435 4.915 4.480 0.000 0.000 0.289 131 M C -1.159 175.243 176.300 0.170 0.000 1.168 131 M CA -0.727 54.646 55.300 0.122 0.000 0.933 131 M CB 2.432 35.062 32.600 0.050 0.000 1.750 131 M HN 0.760 nan 8.290 nan 0.000 0.494 132 E N 0.418 120.681 120.200 0.106 0.000 2.183 132 E HA -0.164 4.186 4.350 0.000 0.000 0.196 132 E C -0.733 175.848 176.600 -0.032 0.000 1.364 132 E CA 1.239 57.648 56.400 0.016 0.000 0.700 132 E CB -1.098 28.499 29.700 -0.171 0.000 1.106 132 E HN 0.821 nan 8.360 nan 0.000 0.347 133 A N 0.744 123.616 122.820 0.086 0.000 2.288 133 A HA 0.743 5.063 4.320 0.000 0.000 0.328 133 A C 0.483 178.080 177.584 0.021 0.000 1.123 133 A CA -0.635 51.425 52.037 0.037 0.000 0.861 133 A CB 0.955 20.110 19.000 0.258 0.000 1.272 133 A HN 0.265 nan 8.150 nan 0.000 0.490 134 I N 1.714 122.247 120.570 -0.060 0.000 2.256 134 I HA 0.234 4.404 4.170 0.000 0.000 0.294 134 I C 1.145 177.471 176.117 0.348 0.000 1.127 134 I CA -0.059 61.240 61.300 -0.002 0.000 1.247 134 I CB 0.957 38.791 38.000 -0.277 0.000 1.460 134 I HN 0.747 nan 8.210 nan 0.000 0.511 135 A N 7.623 130.682 122.820 0.398 0.000 2.081 135 A HA 0.288 4.608 4.320 0.000 0.000 0.214 135 A C 0.796 178.767 177.584 0.644 0.000 1.158 135 A CA 0.589 53.010 52.037 0.640 0.000 0.724 135 A CB 0.248 19.460 19.000 0.353 0.000 0.826 135 A HN 0.763 nan 8.150 nan 0.000 0.463 136 M N -3.034 116.762 119.600 0.327 0.000 2.790 136 M HA 0.500 4.981 4.480 0.000 0.000 0.272 136 M C -3.304 172.985 176.300 -0.020 0.000 1.168 136 M CA -1.918 53.438 55.300 0.093 0.000 0.829 136 M CB 1.535 34.085 32.600 -0.083 0.000 1.675 136 M HN -0.230 nan 8.290 nan 0.000 0.505 137 P HA 0.388 nan 4.420 nan 0.000 0.269 137 P C -1.078 176.156 177.300 -0.110 0.000 1.209 137 P CA 0.044 63.081 63.100 -0.104 0.000 0.776 137 P CB 0.410 32.039 31.700 -0.117 0.000 0.876 138 I N -1.632 118.866 120.570 -0.121 0.000 3.239 138 I HA 0.610 4.780 4.170 0.000 0.000 0.314 138 I C -0.278 175.733 176.117 -0.177 0.000 1.126 138 I CA -1.234 59.992 61.300 -0.123 0.000 0.973 138 I CB 2.129 40.073 38.000 -0.093 0.000 1.252 138 I HN 0.128 nan 8.210 nan 0.000 0.463 139 E N 0.763 120.874 120.200 -0.147 0.000 2.316 139 E HA 0.206 4.556 4.350 0.000 0.000 0.258 139 E C -0.346 176.165 176.600 -0.148 0.000 0.952 139 E CA -0.568 55.731 56.400 -0.169 0.000 0.818 139 E CB 1.254 30.929 29.700 -0.042 0.000 1.260 139 E HN 0.842 nan 8.360 nan 0.000 0.416 140 W N 0.748 122.075 121.300 0.044 0.000 2.358 140 W HA -0.133 4.527 4.660 -0.000 0.000 0.303 140 W C 2.337 178.907 176.519 0.086 0.000 1.208 140 W CA 1.347 58.727 57.345 0.057 0.000 1.274 140 W CB -0.221 29.251 29.460 0.020 0.000 1.138 140 W HN 0.703 nan 8.180 nan 0.000 0.515 141 A N 0.292 123.273 122.820 0.269 0.000 2.042 141 A HA -0.258 4.062 4.320 0.000 0.000 0.222 141 A C 1.468 179.127 177.584 0.125 0.000 1.167 141 A CA 2.237 54.372 52.037 0.165 0.000 0.649 141 A CB -0.728 18.333 19.000 0.102 0.000 0.809 141 A HN 0.334 nan 8.150 nan 0.000 0.457 142 D N -2.193 118.272 120.400 0.108 0.000 2.333 142 D HA 0.085 4.725 4.640 0.000 0.000 0.208 142 D C 0.170 176.509 176.300 0.065 0.000 0.984 142 D CA -0.037 53.995 54.000 0.053 0.000 0.873 142 D CB -0.022 40.783 40.800 0.007 0.000 0.935 142 D HN 0.448 nan 8.370 nan 0.000 0.521 143 F N 2.370 122.332 119.950 0.021 0.000 2.471 143 F HA 0.201 4.728 4.527 0.001 0.000 0.353 143 F C -1.959 173.845 175.800 0.005 0.000 1.113 143 F CA -2.263 55.743 58.000 0.010 0.000 1.262 143 F CB 0.700 39.794 39.000 0.157 0.000 1.146 143 F HN -0.300 nan 8.300 nan 0.000 0.578 144 P HA 0.056 nan 4.420 nan 0.000 0.261 144 P C 0.360 177.632 177.300 -0.047 0.000 1.183 144 P CA 0.982 63.892 63.100 -0.317 0.000 0.761 144 P CB 0.325 31.710 31.700 -0.525 0.000 0.785 145 E N 3.860 124.062 120.200 0.003 0.000 2.085 145 E HA -0.303 4.047 4.350 0.000 0.000 0.194 145 E C 1.768 178.399 176.600 0.052 0.000 0.994 145 E CA 2.066 58.498 56.400 0.052 0.000 0.801 145 E CB -1.414 28.300 29.700 0.024 0.000 0.743 145 E HN 0.796 nan 8.360 nan 0.000 0.453 146 Q N -0.715 119.098 119.800 0.022 0.000 2.291 146 Q HA -0.096 4.244 4.340 0.000 0.000 0.206 146 Q C 0.861 176.894 176.000 0.055 0.000 0.976 146 Q CA 1.685 57.503 55.803 0.025 0.000 0.875 146 Q CB 0.229 28.973 28.738 0.010 0.000 0.927 146 Q HN 0.507 nan 8.270 nan 0.000 0.450 147 D N -0.314 120.149 120.400 0.106 0.000 2.503 147 D HA 0.101 4.741 4.640 0.000 0.000 0.218 147 D C 1.153 177.641 176.300 0.314 0.000 1.183 147 D CA -0.214 53.910 54.000 0.207 0.000 0.827 147 D CB 0.310 41.256 40.800 0.244 0.000 1.034 147 D HN 0.251 nan 8.370 nan 0.000 0.510 148 R N 1.291 121.944 120.500 0.256 0.000 2.080 148 R HA -0.128 4.212 4.340 0.000 0.000 0.236 148 R C 1.193 177.422 176.300 -0.120 0.000 1.137 148 R CA 1.552 57.755 56.100 0.171 0.000 0.943 148 R CB 0.178 30.566 30.300 0.147 0.000 0.846 148 R HN -0.035 nan 8.270 nan 0.000 0.431 149 D N 0.360 120.686 120.400 -0.123 0.000 2.269 149 D HA -0.130 4.510 4.640 0.000 0.000 0.208 149 D C 1.819 177.981 176.300 -0.230 0.000 0.963 149 D CA 0.576 54.449 54.000 -0.213 0.000 0.864 149 D CB 0.005 40.713 40.800 -0.154 0.000 0.936 149 D HN 0.192 nan 8.370 nan 0.000 0.505 150 L N -0.255 120.855 121.223 -0.188 0.000 2.056 150 L HA -0.070 4.270 4.340 0.000 0.000 0.207 150 L C 1.889 178.335 176.870 -0.706 0.000 1.078 150 L CA 1.372 55.977 54.840 -0.391 0.000 0.749 150 L CB -0.504 41.370 42.059 -0.308 0.000 0.901 150 L HN -0.172 nan 8.230 nan 0.000 0.433 151 F N -0.103 119.520 119.950 -0.544 0.000 2.259 151 F HA -0.120 4.407 4.527 -0.001 0.000 0.298 151 F C 2.526 178.174 175.800 -0.252 0.000 1.088 151 F CA 1.223 58.985 58.000 -0.398 0.000 1.358 151 F CB -0.436 38.417 39.000 -0.245 0.000 1.040 151 F HN 0.211 nan 8.300 nan 0.000 0.505 152 Q N -0.484 119.140 119.800 -0.293 0.000 2.170 152 Q HA -0.148 4.192 4.340 0.000 0.000 0.203 152 Q C 2.437 178.328 176.000 -0.182 0.000 0.976 152 Q CA 1.386 56.966 55.803 -0.371 0.000 0.858 152 Q CB -0.400 27.948 28.738 -0.651 0.000 0.907 152 Q HN 0.418 nan 8.270 nan 0.000 0.433 153 A N 0.228 122.912 122.820 -0.226 0.000 1.970 153 A HA -0.096 4.224 4.320 0.000 0.000 0.216 153 A C 1.591 179.178 177.584 0.005 0.000 1.170 153 A CA 0.654 52.613 52.037 -0.129 0.000 0.645 153 A CB -0.422 18.482 19.000 -0.161 0.000 0.816 153 A HN 0.240 nan 8.150 nan 0.000 0.447 154 F N 0.270 120.203 119.950 -0.029 0.000 2.161 154 F HA -0.073 4.454 4.527 -0.000 0.000 0.300 154 F C 1.889 177.710 175.800 0.035 0.000 1.089 154 F CA 1.000 58.992 58.000 -0.014 0.000 1.282 154 F CB -0.593 38.376 39.000 -0.052 0.000 1.010 154 F HN 0.116 nan 8.300 nan 0.000 0.485 155 R N 0.346 120.991 120.500 0.242 0.000 3.192 155 R HA 0.186 4.526 4.340 0.000 0.000 0.264 155 R C 0.118 176.492 176.300 0.123 0.000 1.464 155 R CA 0.123 56.342 56.100 0.199 0.000 1.309 155 R CB -0.291 30.163 30.300 0.258 0.000 1.283 155 R HN 0.244 nan 8.270 nan 0.000 0.584 156 S N -2.033 113.726 115.700 0.098 0.000 2.720 156 S HA 0.161 4.631 4.470 0.000 0.000 0.287 156 S C 0.615 175.251 174.600 0.060 0.000 1.168 156 S CA -1.007 57.228 58.200 0.060 0.000 0.832 156 S CB 1.604 64.818 63.200 0.023 0.000 1.166 156 S HN -0.060 nan 8.310 nan 0.000 0.493 157 Q N 0.286 120.111 119.800 0.042 0.000 2.368 157 Q HA 0.030 4.371 4.340 0.000 0.000 0.210 157 Q C 2.010 178.035 176.000 0.042 0.000 0.982 157 Q CA 1.537 57.363 55.803 0.039 0.000 0.884 157 Q CB -1.061 27.693 28.738 0.027 0.000 0.933 157 Q HN 0.850 nan 8.270 nan 0.000 0.460 158 A N 0.559 123.405 122.820 0.044 0.000 2.168 158 A HA 0.093 4.413 4.320 0.000 0.000 0.215 158 A C 2.263 179.897 177.584 0.083 0.000 1.152 158 A CA 1.021 53.087 52.037 0.048 0.000 0.716 158 A CB -0.676 18.342 19.000 0.030 0.000 0.794 158 A HN 0.409 nan 8.150 nan 0.000 0.465 159 G N 0.036 108.901 108.800 0.108 0.000 2.440 159 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 159 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 159 G C 1.345 176.293 174.900 0.081 0.000 1.154 159 G CA 1.285 46.476 45.100 0.152 0.000 0.767 159 G HN 0.539 nan 8.290 nan 0.000 0.552 160 E N 0.015 120.246 120.200 0.051 0.000 2.072 160 E HA -0.035 4.315 4.350 0.000 0.000 0.191 160 E C 2.283 178.900 176.600 0.028 0.000 0.985 160 E CA 1.112 57.527 56.400 0.026 0.000 0.801 160 E CB -0.188 29.526 29.700 0.023 0.000 0.750 160 E HN 0.666 nan 8.360 nan 0.000 0.452 161 E N 0.205 120.429 120.200 0.040 0.000 2.047 161 E HA -0.173 4.177 4.350 0.000 0.000 0.191 161 E C 1.982 178.611 176.600 0.048 0.000 0.987 161 E CA 0.767 57.189 56.400 0.037 0.000 0.799 161 E CB -0.077 29.644 29.700 0.035 0.000 0.752 161 E HN 0.186 nan 8.360 nan 0.000 0.449 162 L N 0.111 121.383 121.223 0.081 0.000 2.042 162 L HA -0.215 4.125 4.340 0.000 0.000 0.210 162 L C 2.317 179.227 176.870 0.066 0.000 1.076 162 L CA 1.092 56.001 54.840 0.115 0.000 0.749 162 L CB -0.182 42.030 42.059 0.254 0.000 0.893 162 L HN 0.131 nan 8.230 nan 0.000 0.432 163 V N -1.243 118.677 119.914 0.010 0.000 2.599 163 V HA -0.064 4.056 4.120 0.000 0.000 0.237 163 V C 2.054 178.115 176.094 -0.056 0.000 1.081 163 V CA 0.582 62.837 62.300 -0.074 0.000 1.107 163 V CB -0.235 31.470 31.823 -0.197 0.000 0.808 163 V HN 0.226 nan 8.190 nan 0.000 0.486 164 L N 0.301 121.499 121.223 -0.040 0.000 2.141 164 L HA -0.170 4.170 4.340 0.000 0.000 0.209 164 L C 2.534 179.405 176.870 0.002 0.000 1.094 164 L CA 2.004 56.831 54.840 -0.021 0.000 0.763 164 L CB -0.581 41.471 42.059 -0.012 0.000 0.908 164 L HN 0.460 nan 8.230 nan 0.000 0.437 165 Q N -0.010 119.795 119.800 0.009 0.000 2.134 165 Q HA -0.120 4.220 4.340 0.000 0.000 0.195 165 Q C 1.147 177.160 176.000 0.021 0.000 0.958 165 Q CA 1.154 56.967 55.803 0.017 0.000 0.840 165 Q CB 0.394 29.144 28.738 0.019 0.000 0.918 165 Q HN 0.349 nan 8.270 nan 0.000 0.467 166 D N 0.028 120.442 120.400 0.023 0.000 2.379 166 D HA 0.036 4.676 4.640 0.000 0.000 0.208 166 D C -0.142 176.174 176.300 0.027 0.000 1.065 166 D CA 0.128 54.145 54.000 0.028 0.000 0.848 166 D CB 0.212 41.034 40.800 0.036 0.000 0.949 166 D HN 0.223 nan 8.370 nan 0.000 0.509 167 N N 0.041 118.748 118.700 0.012 0.000 2.735 167 N HA -0.174 4.566 4.740 0.000 0.000 0.248 167 N C 0.929 176.449 175.510 0.016 0.000 1.083 167 N CA 0.215 53.265 53.050 0.000 0.000 0.703 167 N CB -1.316 37.187 38.487 0.027 0.000 1.005 167 N HN 0.003 nan 8.380 nan 0.000 0.550 168 V N -0.600 119.334 119.914 0.033 0.000 2.332 168 V HA -0.245 3.875 4.120 0.000 0.000 0.248 168 V C 1.993 178.123 176.094 0.061 0.000 1.055 168 V CA 2.149 64.490 62.300 0.069 0.000 1.038 168 V CB -0.581 31.331 31.823 0.149 0.000 0.651 168 V HN 0.454 nan 8.190 nan 0.000 0.450 169 F N 0.074 119.957 119.950 -0.111 0.000 2.134 169 F HA -0.173 4.354 4.527 -0.001 0.000 0.299 169 F C 2.251 178.005 175.800 -0.076 0.000 1.097 169 F CA 1.727 59.663 58.000 -0.107 0.000 1.264 169 F CB -0.268 38.553 39.000 -0.298 0.000 1.001 169 F HN -0.069 nan 8.300 nan 0.000 0.479 170 V N -0.295 119.690 119.914 0.118 0.000 2.358 170 V HA -0.204 3.916 4.120 0.000 0.000 0.246 170 V C 2.052 178.159 176.094 0.022 0.000 1.047 170 V CA 1.989 64.316 62.300 0.045 0.000 1.035 170 V CB -0.385 31.454 31.823 0.027 0.000 0.658 170 V HN 0.265 nan 8.190 nan 0.000 0.452 171 E N -0.906 119.312 120.200 0.029 0.000 2.400 171 E HA -0.061 4.289 4.350 0.000 0.000 0.195 171 E C 1.883 178.491 176.600 0.013 0.000 1.012 171 E CA 0.395 56.809 56.400 0.023 0.000 0.875 171 E CB 0.551 30.270 29.700 0.032 0.000 0.859 171 E HN 0.699 nan 8.360 nan 0.000 0.498 172 Q N 0.268 120.075 119.800 0.012 0.000 2.619 172 Q HA 0.026 4.367 4.340 0.000 0.000 0.230 172 Q C 2.113 178.114 176.000 0.003 0.000 0.871 172 Q CA 0.315 56.126 55.803 0.014 0.000 0.934 172 Q CB 0.488 29.244 28.738 0.029 0.000 1.183 172 Q HN -0.020 nan 8.270 nan 0.000 0.631 173 V N 1.985 121.877 119.914 -0.036 0.000 2.261 173 V HA -0.241 3.879 4.120 0.000 0.000 0.246 173 V C 2.393 178.516 176.094 0.047 0.000 1.047 173 V CA 1.776 64.045 62.300 -0.052 0.000 1.015 173 V CB -0.681 30.864 31.823 -0.463 0.000 0.642 173 V HN 0.411 nan 8.190 nan 0.000 0.446 174 L N 1.128 122.312 121.223 -0.065 0.000 1.994 174 L HA -0.032 4.308 4.340 0.000 0.000 0.208 174 L C -0.108 176.620 176.870 -0.236 0.000 1.071 174 L CA 2.479 57.091 54.840 -0.380 0.000 0.745 174 L CB -1.946 39.795 42.059 -0.530 0.000 0.892 174 L HN 0.248 nan 8.230 nan 0.000 0.431 175 P HA -0.076 nan 4.420 nan 0.000 0.216 175 P C 1.544 178.854 177.300 0.018 0.000 1.153 175 P CA 1.745 64.819 63.100 -0.043 0.000 0.848 175 P CB -0.410 31.281 31.700 -0.015 0.000 0.787 176 G N -0.953 107.869 108.800 0.037 0.000 2.535 176 G HA2 -0.147 3.813 3.960 0.000 0.000 0.218 176 G HA3 -0.147 3.813 3.960 0.000 0.000 0.218 176 G C 0.966 175.930 174.900 0.106 0.000 1.122 176 G CA 0.416 45.554 45.100 0.063 0.000 0.769 176 G HN 0.276 nan 8.290 nan 0.000 0.549 177 L N 0.281 121.613 121.223 0.181 0.000 3.289 177 L HA 0.487 4.827 4.340 0.000 0.000 0.291 177 L C -0.456 176.584 176.870 0.284 0.000 1.279 177 L CA -0.188 54.807 54.840 0.258 0.000 1.025 177 L CB 0.613 42.905 42.059 0.388 0.000 1.413 177 L HN 0.029 nan 8.230 nan 0.000 0.593 178 I N -0.126 120.546 120.570 0.170 0.000 2.465 178 I HA 0.174 4.344 4.170 0.000 0.000 0.291 178 I C 0.895 177.052 176.117 0.067 0.000 1.014 178 I CA -0.485 60.885 61.300 0.117 0.000 1.093 178 I CB 2.511 40.555 38.000 0.073 0.000 1.267 178 I HN 0.081 nan 8.210 nan 0.000 0.431 179 L N 4.654 125.906 121.223 0.049 0.000 2.418 179 L HA 0.049 4.389 4.340 0.000 0.000 0.218 179 L C 0.835 177.720 176.870 0.025 0.000 1.125 179 L CA 0.605 55.463 54.840 0.031 0.000 0.835 179 L CB -0.485 41.584 42.059 0.018 0.000 0.953 179 L HN 0.641 nan 8.230 nan 0.000 0.454 180 R N 0.089 120.605 120.500 0.027 0.000 2.732 180 R HA 0.494 4.834 4.340 0.000 0.000 0.278 180 R C -2.698 173.620 176.300 0.029 0.000 0.976 180 R CA -2.105 54.009 56.100 0.024 0.000 0.963 180 R CB -0.668 29.644 30.300 0.021 0.000 1.150 180 R HN -0.261 nan 8.270 nan 0.000 0.478 181 P HA 0.026 nan 4.420 nan 0.000 0.266 181 P C -0.493 176.830 177.300 0.038 0.000 1.215 181 P CA 0.027 63.145 63.100 0.030 0.000 0.763 181 P CB 0.536 32.251 31.700 0.025 0.000 0.806 182 L N 2.293 123.544 121.223 0.047 0.000 2.452 182 L HA 0.117 4.457 4.340 0.000 0.000 0.267 182 L C 1.519 178.426 176.870 0.061 0.000 1.188 182 L CA -0.049 54.832 54.840 0.068 0.000 0.821 182 L CB 0.638 42.750 42.059 0.090 0.000 1.102 182 L HN 0.516 nan 8.230 nan 0.000 0.470 183 S N 0.757 116.498 115.700 0.068 0.000 2.645 183 S HA 0.065 4.535 4.470 0.000 0.000 0.266 183 S C 0.870 175.501 174.600 0.052 0.000 1.258 183 S CA -0.388 57.843 58.200 0.053 0.000 0.990 183 S CB 1.399 64.630 63.200 0.051 0.000 0.967 183 S HN 0.777 nan 8.310 nan 0.000 0.556 184 E N 1.011 121.232 120.200 0.036 0.000 2.110 184 E HA -0.153 4.197 4.350 0.000 0.000 0.193 184 E C 1.948 178.560 176.600 0.020 0.000 0.988 184 E CA 1.232 57.648 56.400 0.027 0.000 0.804 184 E CB -0.619 29.091 29.700 0.018 0.000 0.745 184 E HN 0.813 nan 8.360 nan 0.000 0.458 185 A N 0.998 123.832 122.820 0.023 0.000 1.969 185 A HA -0.170 4.150 4.320 0.000 0.000 0.218 185 A C 1.902 179.486 177.584 -0.000 0.000 1.169 185 A CA 1.442 53.484 52.037 0.009 0.000 0.635 185 A CB -0.370 18.646 19.000 0.026 0.000 0.810 185 A HN 0.363 nan 8.150 nan 0.000 0.445 186 E N -0.982 119.255 120.200 0.061 0.000 2.107 186 E HA -0.085 4.266 4.350 0.000 0.000 0.191 186 E C 1.797 178.433 176.600 0.060 0.000 0.982 186 E CA 0.963 57.429 56.400 0.110 0.000 0.809 186 E CB -0.135 29.685 29.700 0.199 0.000 0.756 186 E HN 0.412 nan 8.360 nan 0.000 0.459 187 M N -0.032 119.618 119.600 0.083 0.000 2.492 187 M HA 0.038 4.518 4.480 0.000 0.000 0.262 187 M C 2.114 178.429 176.300 0.025 0.000 1.090 187 M CA 0.574 55.936 55.300 0.104 0.000 1.110 187 M CB -0.475 32.174 32.600 0.081 0.000 1.407 187 M HN 0.094 nan 8.290 nan 0.000 0.470 188 A N 0.082 122.876 122.820 -0.044 0.000 1.872 188 A HA 0.072 4.393 4.320 0.000 0.000 0.214 188 A C 2.364 179.847 177.584 -0.169 0.000 1.187 188 A CA 1.707 53.699 52.037 -0.076 0.000 0.614 188 A CB -0.761 18.195 19.000 -0.072 0.000 0.826 188 A HN 0.431 nan 8.150 nan 0.000 0.442 189 A N -1.556 121.048 122.820 -0.360 0.000 1.972 189 A HA -0.058 4.262 4.320 0.000 0.000 0.219 189 A C 2.018 179.262 177.584 -0.567 0.000 1.169 189 A CA 1.530 53.173 52.037 -0.656 0.000 0.635 189 A CB -0.704 17.433 19.000 -1.439 0.000 0.810 189 A HN 0.576 nan 8.150 nan 0.000 0.446 190 Y N -0.196 119.947 120.300 -0.261 0.000 2.395 190 Y HA -0.042 4.508 4.550 0.001 0.000 0.293 190 Y C 2.475 178.392 175.900 0.027 0.000 1.123 190 Y CA 1.360 59.408 58.100 -0.088 0.000 1.227 190 Y CB -0.157 38.287 38.460 -0.027 0.000 1.012 190 Y HN 0.504 nan 8.280 nan 0.000 0.552 191 R N 0.626 121.207 120.500 0.135 0.000 2.246 191 R HA -0.039 4.301 4.340 0.000 0.000 0.199 191 R C 1.796 178.136 176.300 0.067 0.000 0.984 191 R CA 0.972 57.164 56.100 0.153 0.000 1.015 191 R CB -0.335 30.026 30.300 0.101 0.000 0.930 191 R HN 0.323 nan 8.270 nan 0.000 0.475 192 E N 1.522 121.697 120.200 -0.042 0.000 2.070 192 E HA -0.138 4.212 4.350 0.000 0.000 0.197 192 E C -0.802 175.698 176.600 -0.168 0.000 1.004 192 E CA 1.501 57.842 56.400 -0.098 0.000 0.805 192 E CB -0.456 29.161 29.700 -0.138 0.000 0.744 192 E HN 0.369 nan 8.360 nan 0.000 0.451 193 P HA -0.059 nan 4.420 nan 0.000 0.230 193 P C -0.237 176.585 177.300 -0.796 0.000 1.158 193 P CA 0.958 63.681 63.100 -0.629 0.000 0.769 193 P CB 0.067 31.189 31.700 -0.964 0.000 0.807 194 F N -2.063 117.884 119.950 -0.006 0.000 2.835 194 F HA 0.298 4.824 4.527 -0.001 0.000 0.342 194 F C 1.492 177.288 175.800 -0.007 0.000 1.202 194 F CA -0.338 57.656 58.000 -0.010 0.000 1.240 194 F CB -0.702 38.296 39.000 -0.004 0.000 1.005 194 F HN -0.253 nan 8.300 nan 0.000 0.507 195 L N 0.399 121.662 121.223 0.067 0.000 2.093 195 L HA 0.004 4.344 4.340 0.000 0.000 0.208 195 L C 1.619 178.520 176.870 0.051 0.000 1.085 195 L CA 0.653 55.523 54.840 0.050 0.000 0.755 195 L CB -0.380 41.684 42.059 0.008 0.000 0.904 195 L HN 0.232 nan 8.230 nan 0.000 0.435 196 A N 0.251 123.098 122.820 0.045 0.000 2.363 196 A HA 0.592 4.913 4.320 0.000 0.000 0.270 196 A C 0.298 177.914 177.584 0.053 0.000 1.121 196 A CA -0.211 51.850 52.037 0.039 0.000 0.800 196 A CB 0.364 19.378 19.000 0.024 0.000 1.052 196 A HN 0.216 nan 8.150 nan 0.000 0.493 197 A N 1.797 124.640 122.820 0.039 0.000 2.366 197 A HA 0.665 4.985 4.320 0.000 0.000 0.249 197 A C 1.266 178.868 177.584 0.030 0.000 1.084 197 A CA 0.797 52.855 52.037 0.034 0.000 0.794 197 A CB -0.408 18.607 19.000 0.026 0.000 1.034 197 A HN 2.905 nan 8.150 nan 0.000 0.491 198 G N 0.132 108.947 108.800 0.025 0.000 2.499 198 G HA2 -0.171 3.789 3.960 0.000 0.000 0.232 198 G HA3 -0.171 3.789 3.960 0.000 0.000 0.232 198 G C 0.460 175.374 174.900 0.024 0.000 1.251 198 G CA 0.258 45.371 45.100 0.022 0.000 0.917 198 G HN 0.708 nan 8.290 nan 0.000 0.580 199 E N 0.392 120.610 120.200 0.030 0.000 2.331 199 E HA -0.041 4.309 4.350 0.000 0.000 0.199 199 E C 2.757 179.386 176.600 0.048 0.000 1.008 199 E CA 1.640 58.064 56.400 0.041 0.000 0.843 199 E CB -0.608 29.125 29.700 0.054 0.000 0.761 199 E HN 1.007 nan 8.360 nan 0.000 0.507 200 A N 0.808 123.663 122.820 0.058 0.000 2.121 200 A HA -0.109 4.211 4.320 0.000 0.000 0.218 200 A C 1.914 179.610 177.584 0.187 0.000 1.154 200 A CA 0.795 52.883 52.037 0.086 0.000 0.679 200 A CB -0.165 18.877 19.000 0.070 0.000 0.795 200 A HN 0.085 nan 8.150 nan 0.000 0.458 201 R N -1.741 118.825 120.500 0.110 0.000 2.362 201 R HA 0.135 4.475 4.340 0.000 0.000 0.227 201 R C 1.842 178.053 176.300 -0.148 0.000 0.905 201 R CA 0.031 56.144 56.100 0.021 0.000 1.067 201 R CB 0.030 30.311 30.300 -0.032 0.000 1.078 201 R HN 0.305 nan 8.270 nan 0.000 0.516 202 R N 2.278 122.704 120.500 -0.123 0.000 2.113 202 R HA -0.108 4.232 4.340 0.000 0.000 0.244 202 R C -0.975 175.115 176.300 -0.351 0.000 1.142 202 R CA 1.810 57.805 56.100 -0.175 0.000 0.953 202 R CB -1.242 29.025 30.300 -0.054 0.000 0.860 202 R HN 0.114 nan 8.270 nan 0.000 0.438 203 P HA -0.063 nan 4.420 nan 0.000 0.222 203 P C 0.654 177.725 177.300 -0.382 0.000 1.147 203 P CA 1.847 64.567 63.100 -0.635 0.000 0.790 203 P CB -0.269 31.093 31.700 -0.563 0.000 0.780 204 T N -4.362 109.947 114.554 -0.408 0.000 3.100 204 T HA 0.080 4.431 4.350 0.000 0.000 0.253 204 T C 1.421 175.833 174.700 -0.480 0.000 1.118 204 T CA 0.085 61.895 62.100 -0.483 0.000 1.058 204 T CB -0.631 67.819 68.868 -0.697 0.000 0.953 204 T HN -0.027 nan 8.240 nan 0.000 0.515 205 L N 0.556 121.575 121.223 -0.339 0.000 2.316 205 L HA 0.457 4.797 4.340 0.000 0.000 0.207 205 L C 2.391 179.179 176.870 -0.137 0.000 1.070 205 L CA 0.929 55.612 54.840 -0.262 0.000 0.820 205 L CB -0.423 41.525 42.059 -0.185 0.000 0.992 205 L HN 0.103 nan 8.230 nan 0.000 0.466 206 S N -0.886 114.716 115.700 -0.164 0.000 2.402 206 S HA -0.152 4.318 4.470 0.000 0.000 0.229 206 S C 1.557 176.104 174.600 -0.088 0.000 1.021 206 S CA 1.428 59.552 58.200 -0.127 0.000 0.974 206 S CB -0.473 62.619 63.200 -0.180 0.000 0.800 206 S HN 0.592 nan 8.310 nan 0.000 0.484 207 W N 2.295 123.479 121.300 -0.192 0.000 2.354 207 W HA -0.090 4.570 4.660 0.000 0.000 0.315 207 W C -0.669 175.893 176.519 0.072 0.000 1.206 207 W CA 0.534 57.699 57.345 -0.300 0.000 1.290 207 W CB -1.099 28.137 29.460 -0.373 0.000 1.152 207 W HN 0.233 nan 8.180 nan 0.000 0.489 208 P HA -0.140 nan 4.420 nan 0.000 0.222 208 P C 0.926 178.521 177.300 0.492 0.000 1.147 208 P CA 1.552 65.012 63.100 0.600 0.000 0.790 208 P CB -0.196 31.799 31.700 0.493 0.000 0.780 209 R N -0.567 120.127 120.500 0.324 0.000 2.235 209 R HA -0.006 4.334 4.340 0.000 0.000 0.213 209 R C 2.334 178.791 176.300 0.262 0.000 1.059 209 R CA 0.865 57.116 56.100 0.253 0.000 0.997 209 R CB -0.196 30.192 30.300 0.147 0.000 0.884 209 R HN 0.160 nan 8.270 nan 0.000 0.462 210 Q N -0.071 119.925 119.800 0.326 0.000 2.408 210 Q HA 0.126 4.466 4.340 0.000 0.000 0.205 210 Q C 0.133 176.486 176.000 0.590 0.000 0.919 210 Q CA 0.199 56.199 55.803 0.329 0.000 0.932 210 Q CB 0.554 29.357 28.738 0.109 0.000 1.058 210 Q HN 0.335 nan 8.270 nan 0.000 0.517 211 I N 4.521 125.513 120.570 0.702 0.000 2.668 211 I HA -0.044 4.127 4.170 0.000 0.000 0.285 211 I C -1.827 174.440 176.117 0.251 0.000 1.168 211 I CA -1.246 60.397 61.300 0.571 0.000 1.424 211 I CB 0.386 38.634 38.000 0.413 0.000 1.377 211 I HN -0.160 nan 8.210 nan 0.000 0.560 212 P HA 0.128 nan 4.420 nan 0.000 0.259 212 P C -0.630 176.620 177.300 -0.084 0.000 1.635 212 P CA 0.532 63.651 63.100 0.031 0.000 1.199 212 P CB -0.468 31.228 31.700 -0.005 0.000 1.850 213 I N 0.632 121.109 120.570 -0.154 0.000 2.433 213 I HA 0.404 4.574 4.170 0.000 0.000 0.292 213 I C 0.865 176.789 176.117 -0.322 0.000 1.001 213 I CA -1.102 59.961 61.300 -0.394 0.000 1.119 213 I CB 1.779 39.244 38.000 -0.892 0.000 1.289 213 I HN 0.211 nan 8.210 nan 0.000 0.438 214 A N 4.481 127.116 122.820 -0.308 0.000 2.832 214 A HA -0.122 4.199 4.320 0.000 0.000 0.280 214 A C 1.353 178.905 177.584 -0.054 0.000 1.464 214 A CA 1.203 53.152 52.037 -0.147 0.000 0.804 214 A CB -1.923 17.029 19.000 -0.080 0.000 1.020 214 A HN 2.099 nan 8.150 nan 0.000 0.563 215 G N -3.689 105.073 108.800 -0.063 0.000 2.159 215 G HA2 0.049 4.009 3.960 0.000 0.000 0.256 215 G HA3 0.049 4.009 3.960 0.000 0.000 0.256 215 G C 0.381 175.279 174.900 -0.004 0.000 0.977 215 G CA 0.935 46.018 45.100 -0.029 0.000 0.652 215 G HN 2.038 nan 8.290 nan 0.000 0.531 216 T N 2.173 116.730 114.554 0.005 0.000 2.971 216 T HA 0.617 4.968 4.350 0.000 0.000 0.304 216 T C -2.860 171.880 174.700 0.067 0.000 1.038 216 T CA -0.769 61.357 62.100 0.043 0.000 1.007 216 T CB 3.334 72.243 68.868 0.067 0.000 1.055 216 T HN 0.078 nan 8.240 nan 0.000 0.451 217 P HA 0.372 nan 4.420 nan 0.000 0.282 217 P C 0.369 177.700 177.300 0.052 0.000 1.249 217 P CA -0.426 62.719 63.100 0.076 0.000 0.806 217 P CB 1.030 32.788 31.700 0.096 0.000 0.984 218 A N 3.258 126.100 122.820 0.038 0.000 1.933 218 A HA -0.202 4.118 4.320 0.000 0.000 0.218 218 A C 1.761 179.355 177.584 0.017 0.000 1.175 218 A CA 2.012 54.060 52.037 0.019 0.000 0.628 218 A CB -1.264 17.746 19.000 0.017 0.000 0.814 218 A HN 0.658 nan 8.150 nan 0.000 0.444 219 D N 0.169 120.590 120.400 0.035 0.000 2.097 219 D HA -0.123 4.517 4.640 0.000 0.000 0.197 219 D C 1.759 178.072 176.300 0.022 0.000 0.984 219 D CA 1.799 55.822 54.000 0.039 0.000 0.826 219 D CB -1.029 39.812 40.800 0.069 0.000 0.973 219 D HN 0.244 nan 8.370 nan 0.000 0.460 220 V N 0.784 120.716 119.914 0.029 0.000 2.515 220 V HA -0.167 3.953 4.120 0.000 0.000 0.250 220 V C 2.928 178.988 176.094 -0.057 0.000 1.058 220 V CA 0.962 63.245 62.300 -0.030 0.000 1.064 220 V CB -0.266 31.601 31.823 0.073 0.000 0.675 220 V HN 0.098 nan 8.190 nan 0.000 0.461 221 V N 0.575 120.472 119.914 -0.028 0.000 2.287 221 V HA -0.288 3.832 4.120 0.000 0.000 0.248 221 V C 2.768 178.800 176.094 -0.103 0.000 1.053 221 V CA 2.153 64.415 62.300 -0.064 0.000 1.027 221 V CB -1.150 30.648 31.823 -0.041 0.000 0.646 221 V HN 0.563 nan 8.190 nan 0.000 0.447 222 A N -0.181 122.597 122.820 -0.071 0.000 1.883 222 A HA -0.234 4.086 4.320 0.000 0.000 0.217 222 A C 2.162 179.683 177.584 -0.106 0.000 1.186 222 A CA 2.266 54.260 52.037 -0.070 0.000 0.624 222 A CB -0.617 18.364 19.000 -0.031 0.000 0.822 222 A HN 0.503 nan 8.150 nan 0.000 0.444 223 I N -0.340 120.162 120.570 -0.112 0.000 2.226 223 I HA -0.251 3.920 4.170 0.000 0.000 0.245 223 I C 2.892 178.753 176.117 -0.426 0.000 1.100 223 I CA 1.207 62.431 61.300 -0.127 0.000 1.374 223 I CB -0.188 37.785 38.000 -0.044 0.000 1.057 223 I HN 0.337 nan 8.210 nan 0.000 0.413 224 A N 0.436 122.917 122.820 -0.566 0.000 1.968 224 A HA -0.211 4.110 4.320 0.000 0.000 0.217 224 A C 2.328 179.555 177.584 -0.596 0.000 1.169 224 A CA 1.680 53.112 52.037 -1.007 0.000 0.638 224 A CB -0.544 18.178 19.000 -0.462 0.000 0.812 224 A HN 0.363 nan 8.150 nan 0.000 0.446 225 R N 0.212 120.526 120.500 -0.310 0.000 2.083 225 R HA -0.173 4.167 4.340 0.000 0.000 0.237 225 R C 1.838 178.061 176.300 -0.129 0.000 1.137 225 R CA 2.019 58.010 56.100 -0.182 0.000 0.951 225 R CB -0.580 29.646 30.300 -0.124 0.000 0.851 225 R HN 0.449 nan 8.270 nan 0.000 0.434 226 D N -0.554 119.769 120.400 -0.128 0.000 2.127 226 D HA -0.215 4.425 4.640 0.000 0.000 0.190 226 D C 1.864 178.206 176.300 0.070 0.000 1.000 226 D CA 2.039 56.019 54.000 -0.034 0.000 0.839 226 D CB -0.317 40.464 40.800 -0.032 0.000 0.955 226 D HN 0.503 nan 8.370 nan 0.000 0.446 227 Y N -0.281 120.092 120.300 0.121 0.000 2.457 227 Y HA 0.394 4.944 4.550 0.001 0.000 0.292 227 Y C 2.032 178.007 175.900 0.125 0.000 1.125 227 Y CA 0.398 58.604 58.100 0.177 0.000 1.254 227 Y CB -1.038 37.552 38.460 0.218 0.000 1.012 227 Y HN -0.060 nan 8.280 nan 0.000 0.555 228 A N 1.519 124.509 122.820 0.283 0.000 1.898 228 A HA 0.052 4.372 4.320 0.000 0.000 0.216 228 A C 2.510 180.263 177.584 0.282 0.000 1.181 228 A CA 1.514 53.781 52.037 0.383 0.000 0.620 228 A CB -1.473 17.719 19.000 0.320 0.000 0.819 228 A HN 0.552 nan 8.150 nan 0.000 0.442 229 G N -1.472 107.426 108.800 0.164 0.000 2.404 229 G HA2 -0.259 3.701 3.960 0.000 0.000 0.215 229 G HA3 -0.259 3.701 3.960 0.000 0.000 0.215 229 G C 1.379 176.316 174.900 0.062 0.000 1.174 229 G CA 1.071 46.242 45.100 0.118 0.000 0.780 229 G HN 0.668 nan 8.290 nan 0.000 0.537 230 W N 1.297 122.546 121.300 -0.085 0.000 2.332 230 W HA -0.034 4.625 4.660 -0.000 0.000 0.321 230 W C 2.338 178.673 176.519 -0.307 0.000 1.219 230 W CA 1.461 58.718 57.345 -0.146 0.000 1.277 230 W CB -0.587 28.814 29.460 -0.098 0.000 1.161 230 W HN 0.122 nan 8.180 nan 0.000 0.476 231 L N 1.055 121.875 121.223 -0.672 0.000 2.079 231 L HA -0.273 4.067 4.340 0.000 0.000 0.210 231 L C 2.837 178.816 176.870 -1.484 0.000 1.081 231 L CA 1.903 55.869 54.840 -1.456 0.000 0.752 231 L CB -1.159 39.720 42.059 -1.967 0.000 0.896 231 L HN 0.181 nan 8.230 nan 0.000 0.433 232 S N -1.304 113.745 115.700 -1.084 0.000 2.469 232 S HA -0.122 4.348 4.470 0.000 0.000 0.238 232 S C 1.601 175.966 174.600 -0.392 0.000 0.998 232 S CA 0.956 58.772 58.200 -0.641 0.000 0.957 232 S CB -0.081 63.077 63.200 -0.071 0.000 0.764 232 S HN 0.410 nan 8.310 nan 0.000 0.514 233 E N 0.932 120.856 120.200 -0.460 0.000 2.434 233 E HA 0.278 4.628 4.350 0.000 0.000 0.207 233 E C 0.509 176.856 176.600 -0.421 0.000 0.929 233 E CA 0.107 56.311 56.400 -0.326 0.000 1.001 233 E CB 0.105 29.686 29.700 -0.199 0.000 1.016 233 E HN 0.451 nan 8.360 nan 0.000 0.502 234 S N 3.157 118.414 115.700 -0.738 0.000 2.533 234 S HA 0.093 4.563 4.470 0.000 0.000 0.282 234 S C -1.757 172.598 174.600 -0.408 0.000 1.304 234 S CA -1.078 56.711 58.200 -0.685 0.000 1.063 234 S CB 0.818 63.242 63.200 -1.293 0.000 0.881 234 S HN -0.115 nan 8.310 nan 0.000 0.493 235 P HA 0.154 nan 4.420 nan 0.000 0.253 235 P C 0.053 177.296 177.300 -0.095 0.000 1.260 235 P CA 0.034 63.055 63.100 -0.131 0.000 0.800 235 P CB -0.221 31.435 31.700 -0.075 0.000 1.162 236 I N 2.139 122.629 120.570 -0.133 0.000 2.683 236 I HA 0.026 4.196 4.170 0.000 0.000 0.286 236 I C -1.891 174.234 176.117 0.012 0.000 1.175 236 I CA -1.919 59.356 61.300 -0.043 0.000 1.429 236 I CB -0.210 37.774 38.000 -0.025 0.000 1.371 236 I HN -0.193 nan 8.210 nan 0.000 0.569 237 P HA 0.077 nan 4.420 nan 0.000 0.265 237 P C -1.131 176.404 177.300 0.391 0.000 1.193 237 P CA 0.177 63.404 63.100 0.211 0.000 0.765 237 P CB 0.400 32.197 31.700 0.161 0.000 0.823 238 K N 2.233 122.846 120.400 0.355 0.000 2.371 238 K HA 0.573 4.893 4.320 0.000 0.000 0.251 238 K C -1.170 175.378 176.600 -0.086 0.000 0.934 238 K CA -0.997 55.457 56.287 0.278 0.000 0.798 238 K CB 1.857 34.511 32.500 0.257 0.000 1.204 238 K HN 0.227 nan 8.250 nan 0.000 0.427 239 L N 3.904 124.885 121.223 -0.403 0.000 2.318 239 L HA 0.409 4.749 4.340 0.000 0.000 0.277 239 L C -1.436 175.295 176.870 -0.231 0.000 1.008 239 L CA -0.484 53.983 54.840 -0.621 0.000 0.846 239 L CB 0.592 41.890 42.059 -1.268 0.000 1.220 239 L HN 0.518 nan 8.230 nan 0.000 0.423 240 F N 6.841 126.565 119.950 -0.376 0.000 2.368 240 F HA 0.468 4.996 4.527 0.002 0.000 0.362 240 F C -0.082 175.449 175.800 -0.448 0.000 1.137 240 F CA -1.360 56.260 58.000 -0.633 0.000 1.161 240 F CB 0.214 38.927 39.000 -0.478 0.000 1.265 240 F HN 0.363 nan 8.300 nan 0.000 0.530 241 I N 6.296 126.530 120.570 -0.561 0.000 2.311 241 I HA 0.035 4.205 4.170 0.000 0.000 0.297 241 I C 0.545 176.152 176.117 -0.850 0.000 1.131 241 I CA -0.212 60.750 61.300 -0.564 0.000 1.289 241 I CB -0.355 37.476 38.000 -0.282 0.000 1.446 241 I HN 0.495 nan 8.210 nan 0.000 0.524 242 N N 4.867 122.869 118.700 -1.162 0.000 2.467 242 N HA 0.505 5.245 4.740 0.000 0.000 0.262 242 N C -0.714 174.526 175.510 -0.450 0.000 1.234 242 N CA -0.041 52.392 53.050 -1.028 0.000 0.952 242 N CB 1.626 39.552 38.487 -0.935 0.000 1.158 242 N HN 0.654 nan 8.380 nan 0.000 0.463 243 A N 1.362 124.018 122.820 -0.274 0.000 2.413 243 A HA 0.565 4.886 4.320 0.000 0.000 0.307 243 A C -0.989 176.527 177.584 -0.114 0.000 1.087 243 A CA -0.504 51.433 52.037 -0.167 0.000 0.750 243 A CB 1.337 20.264 19.000 -0.123 0.000 1.296 243 A HN 0.607 nan 8.150 nan 0.000 0.423 244 E N 1.516 121.661 120.200 -0.091 0.000 2.255 244 E HA 0.467 4.817 4.350 0.000 0.000 0.256 244 E C -2.241 174.330 176.600 -0.048 0.000 0.887 244 E CA -1.793 54.567 56.400 -0.066 0.000 0.782 244 E CB 2.040 31.700 29.700 -0.067 0.000 1.214 244 E HN 0.319 nan 8.360 nan 0.000 0.417 245 P HA 0.163 nan 4.420 nan 0.000 0.249 245 P C 0.404 177.679 177.300 -0.042 0.000 1.229 245 P CA 0.515 63.593 63.100 -0.037 0.000 0.788 245 P CB 0.368 32.051 31.700 -0.028 0.000 1.072 246 G N 0.016 108.790 108.800 -0.043 0.000 2.888 246 G HA2 -0.003 3.958 3.960 0.000 0.000 0.441 246 G HA3 -0.003 3.958 3.960 0.000 0.000 0.441 246 G C 0.264 175.138 174.900 -0.042 0.000 1.461 246 G CA -0.251 44.825 45.100 -0.041 0.000 0.897 246 G HN 0.510 nan 8.290 nan 0.000 0.547 247 A N -1.687 121.104 122.820 -0.049 0.000 1.730 247 A HA 0.670 4.990 4.320 0.000 0.000 0.160 247 A C 2.006 179.477 177.584 -0.189 0.000 1.746 247 A CA 1.355 53.322 52.037 -0.117 0.000 1.283 247 A CB -0.571 18.362 19.000 -0.111 0.000 0.995 247 A HN 1.797 nan 8.150 nan 0.000 0.764 248 L N 1.140 122.267 121.223 -0.161 0.000 2.005 248 L HA 0.077 4.417 4.340 0.000 0.000 0.207 248 L C 0.929 177.738 176.870 -0.102 0.000 1.072 248 L CA 2.361 57.074 54.840 -0.213 0.000 0.744 248 L CB -0.461 41.507 42.059 -0.152 0.000 0.895 248 L HN 0.351 nan 8.230 nan 0.000 0.433 249 T N 1.106 115.651 114.554 -0.014 0.000 3.766 249 T HA 0.301 4.651 4.350 0.000 0.000 0.327 249 T C 0.158 174.879 174.700 0.036 0.000 1.595 249 T CA 0.323 62.443 62.100 0.034 0.000 1.204 249 T CB -0.828 68.125 68.868 0.141 0.000 1.245 249 T HN 0.547 nan 8.240 nan 0.000 0.875 250 T N -1.700 112.846 114.554 -0.014 0.000 2.742 250 T HA 0.822 5.172 4.350 0.000 0.000 0.282 250 T C 0.934 175.622 174.700 -0.020 0.000 1.025 250 T CA -0.196 61.896 62.100 -0.013 0.000 1.020 250 T CB 1.410 70.256 68.868 -0.037 0.000 1.317 250 T HN 0.486 nan 8.240 nan 0.000 0.538 251 G N 1.076 109.867 108.800 -0.016 0.000 2.627 251 G HA2 -0.344 3.616 3.960 0.000 0.000 0.312 251 G HA3 -0.344 3.616 3.960 0.000 0.000 0.312 251 G C 0.954 175.848 174.900 -0.009 0.000 1.299 251 G CA 0.863 45.955 45.100 -0.013 0.000 0.989 251 G HN 0.959 nan 8.290 nan 0.000 0.547 252 R N -0.588 119.909 120.500 -0.006 0.000 2.091 252 R HA -0.069 4.271 4.340 0.000 0.000 0.238 252 R C 2.837 179.146 176.300 0.016 0.000 1.136 252 R CA 1.885 57.986 56.100 0.002 0.000 0.959 252 R CB -0.376 29.920 30.300 -0.008 0.000 0.856 252 R HN 0.602 nan 8.270 nan 0.000 0.437 253 M N 0.509 120.111 119.600 0.004 0.000 2.175 253 M HA -0.188 4.292 4.480 0.000 0.000 0.264 253 M C 2.371 178.648 176.300 -0.039 0.000 1.063 253 M CA 1.546 56.862 55.300 0.026 0.000 1.119 253 M CB -0.079 32.529 32.600 0.012 0.000 1.377 253 M HN -0.026 nan 8.290 nan 0.000 0.415 254 R N 0.321 120.789 120.500 -0.054 0.000 2.081 254 R HA -0.183 4.157 4.340 0.000 0.000 0.235 254 R C 1.508 177.719 176.300 -0.148 0.000 1.131 254 R CA 2.293 58.335 56.100 -0.098 0.000 0.960 254 R CB -0.267 30.042 30.300 0.014 0.000 0.856 254 R HN 0.388 nan 8.270 nan 0.000 0.436 255 D N -0.101 120.262 120.400 -0.063 0.000 2.106 255 D HA -0.219 4.421 4.640 0.000 0.000 0.191 255 D C 1.528 177.787 176.300 -0.069 0.000 0.997 255 D CA 1.368 55.342 54.000 -0.043 0.000 0.834 255 D CB -0.397 40.408 40.800 0.007 0.000 0.956 255 D HN 0.228 nan 8.370 nan 0.000 0.448 256 F N 1.071 120.905 119.950 -0.192 0.000 2.171 256 F HA -0.173 4.354 4.527 0.000 0.000 0.300 256 F C 2.206 177.712 175.800 -0.491 0.000 1.090 256 F CA 0.820 58.699 58.000 -0.202 0.000 1.293 256 F CB -0.475 38.458 39.000 -0.112 0.000 1.013 256 F HN -0.016 nan 8.300 nan 0.000 0.486 257 C N 0.596 119.271 119.300 -1.042 0.000 2.435 257 C HA -0.098 4.362 4.460 0.000 0.000 0.279 257 C C 2.698 176.984 174.990 -1.173 0.000 1.321 257 C CA 0.862 58.814 59.018 -1.777 0.000 1.752 257 C CB -1.383 25.488 27.740 -1.448 0.000 1.959 257 C HN 0.406 nan 8.230 nan 0.000 0.500 258 R N -0.231 119.882 120.500 -0.646 0.000 2.328 258 R HA -0.078 4.262 4.340 0.000 0.000 0.207 258 R C 1.903 178.076 176.300 -0.212 0.000 1.056 258 R CA 0.916 56.829 56.100 -0.311 0.000 1.016 258 R CB -0.231 29.980 30.300 -0.149 0.000 0.872 258 R HN 0.435 nan 8.270 nan 0.000 0.471 259 T N -0.522 113.863 114.554 -0.282 0.000 3.057 259 T HA 0.004 4.354 4.350 0.000 0.000 0.254 259 T C -0.399 174.315 174.700 0.023 0.000 1.094 259 T CA 0.027 62.063 62.100 -0.107 0.000 1.088 259 T CB 0.085 68.900 68.868 -0.088 0.000 0.934 259 T HN 0.141 nan 8.240 nan 0.000 0.497 260 W N 3.277 124.376 121.300 -0.335 0.000 2.216 260 W HA 0.339 4.999 4.660 -0.000 0.000 0.326 260 W C -2.532 173.863 176.519 -0.205 0.000 1.319 260 W CA -3.339 53.810 57.345 -0.327 0.000 1.213 260 W CB -0.501 28.721 29.460 -0.397 0.000 1.171 260 W HN 0.060 nan 8.180 nan 0.000 0.557 261 P HA 0.040 nan 4.420 nan 0.000 0.276 261 P C 0.137 177.429 177.300 -0.015 0.000 1.244 261 P CA -0.248 62.830 63.100 -0.036 0.000 0.801 261 P CB 0.586 32.226 31.700 -0.100 0.000 1.006 262 N N -0.144 118.558 118.700 0.003 0.000 2.725 262 N HA -0.234 4.506 4.740 0.000 0.000 0.251 262 N C -0.799 174.752 175.510 0.069 0.000 1.031 262 N CA 0.819 53.885 53.050 0.028 0.000 0.720 262 N CB -1.280 37.213 38.487 0.010 0.000 0.930 262 N HN 0.605 nan 8.380 nan 0.000 0.543 263 Q N 0.117 119.958 119.800 0.067 0.000 2.331 263 Q HA 0.426 4.767 4.340 0.000 0.000 0.267 263 Q C -0.914 175.117 176.000 0.052 0.000 1.006 263 Q CA -0.580 55.276 55.803 0.087 0.000 0.818 263 Q CB 1.056 29.868 28.738 0.123 0.000 1.276 263 Q HN 0.263 nan 8.270 nan 0.000 0.450 264 T N 3.491 118.052 114.554 0.012 0.000 2.845 264 T HA 0.269 4.619 4.350 0.000 0.000 0.288 264 T C -0.895 173.766 174.700 -0.065 0.000 0.980 264 T CA -0.289 61.788 62.100 -0.038 0.000 1.071 264 T CB 0.888 69.709 68.868 -0.078 0.000 0.941 264 T HN 0.608 nan 8.240 nan 0.000 0.487 265 E N 3.099 123.263 120.200 -0.060 0.000 2.256 265 E HA 0.591 4.941 4.350 0.000 0.000 0.268 265 E C -1.457 175.036 176.600 -0.179 0.000 0.877 265 E CA -0.749 55.586 56.400 -0.109 0.000 0.757 265 E CB 1.417 31.123 29.700 0.009 0.000 1.183 265 E HN 0.432 nan 8.360 nan 0.000 0.418 266 I N 2.438 122.842 120.570 -0.276 0.000 2.957 266 I HA 0.480 4.650 4.170 0.000 0.000 0.310 266 I C -1.011 174.912 176.117 -0.323 0.000 1.063 266 I CA -0.456 60.700 61.300 -0.241 0.000 1.033 266 I CB 2.398 40.283 38.000 -0.192 0.000 1.230 266 I HN 0.639 nan 8.210 nan 0.000 0.447 267 T N 3.871 118.282 114.554 -0.239 0.000 2.792 267 T HA 0.733 5.083 4.350 0.000 0.000 0.280 267 T C -0.505 174.088 174.700 -0.179 0.000 0.990 267 T CA -0.588 61.367 62.100 -0.240 0.000 0.960 267 T CB 0.953 69.711 68.868 -0.183 0.000 0.939 267 T HN 0.710 nan 8.240 nan 0.000 0.439 268 V N 0.288 120.095 119.914 -0.178 0.000 3.046 268 V HA 0.982 5.102 4.120 0.000 0.000 0.316 268 V C 0.359 176.391 176.094 -0.104 0.000 1.104 268 V CA -1.532 60.692 62.300 -0.127 0.000 1.006 268 V CB 1.108 32.858 31.823 -0.122 0.000 1.058 268 V HN 1.306 nan 8.190 nan 0.000 0.440 269 A N 1.323 124.097 122.820 -0.076 0.000 2.520 269 A HA 0.754 5.074 4.320 0.000 0.000 0.245 269 A C 0.748 178.301 177.584 -0.053 0.000 1.072 269 A CA 0.766 52.768 52.037 -0.057 0.000 0.761 269 A CB -0.659 18.317 19.000 -0.040 0.000 1.004 269 A HN 2.633 nan 8.150 nan 0.000 0.499 270 G N -0.705 108.069 108.800 -0.044 0.000 2.328 270 G HA2 0.624 4.585 3.960 0.000 0.000 0.299 270 G HA3 0.624 4.585 3.960 0.000 0.000 0.299 270 G C -0.182 174.707 174.900 -0.019 0.000 1.435 270 G CA 0.020 45.102 45.100 -0.030 0.000 0.865 270 G HN 1.496 nan 8.290 nan 0.000 0.601 271 A N -0.554 122.273 122.820 0.013 0.000 2.417 271 A HA 0.593 4.913 4.320 0.000 0.000 0.224 271 A C 1.532 179.141 177.584 0.040 0.000 2.273 271 A CA 1.780 53.834 52.037 0.028 0.000 1.018 271 A CB -0.472 18.565 19.000 0.062 0.000 1.400 271 A HN 1.203 nan 8.150 nan 0.000 0.580 272 H N -1.706 117.335 119.070 -0.049 0.000 2.393 272 H HA 0.330 4.887 4.556 0.001 0.000 0.301 272 H C -0.264 174.937 175.328 -0.211 0.000 1.019 272 H CA 0.352 56.280 56.048 -0.201 0.000 1.311 272 H CB 0.052 29.564 29.762 -0.417 0.000 1.475 272 H HN 0.306 nan 8.280 nan 0.000 0.572 273 F N 3.050 123.002 119.950 0.004 0.000 2.669 273 F HA 0.166 4.692 4.527 -0.001 0.000 0.353 273 F C 1.589 177.266 175.800 -0.205 0.000 1.192 273 F CA -0.255 57.635 58.000 -0.183 0.000 1.317 273 F CB -0.501 38.444 39.000 -0.092 0.000 1.652 273 F HN 0.300 nan 8.300 nan 0.000 0.608 274 I N -2.088 118.399 120.570 -0.138 0.000 2.700 274 I HA -0.254 3.916 4.170 0.000 0.000 0.261 274 I C 1.518 177.568 176.117 -0.112 0.000 1.219 274 I CA 1.210 62.449 61.300 -0.101 0.000 1.463 274 I CB -0.280 37.650 38.000 -0.117 0.000 1.092 274 I HN 0.235 nan 8.210 nan 0.000 0.452 275 Q N 1.456 121.141 119.800 -0.192 0.000 2.297 275 Q HA -0.135 4.205 4.340 0.000 0.000 0.208 275 Q C 1.828 177.779 176.000 -0.082 0.000 0.981 275 Q CA 1.345 57.053 55.803 -0.159 0.000 0.876 275 Q CB -0.252 28.289 28.738 -0.329 0.000 0.921 275 Q HN 0.591 nan 8.270 nan 0.000 0.446 276 E N -0.159 120.016 120.200 -0.042 0.000 2.400 276 E HA -0.035 4.315 4.350 0.000 0.000 0.195 276 E C 0.665 177.268 176.600 0.005 0.000 1.012 276 E CA 0.457 56.859 56.400 0.004 0.000 0.875 276 E CB 0.336 30.063 29.700 0.045 0.000 0.859 276 E HN 0.422 nan 8.360 nan 0.000 0.498 277 D N -0.170 120.226 120.400 -0.007 0.000 2.323 277 D HA 0.073 4.713 4.640 0.000 0.000 0.218 277 D C 0.210 176.498 176.300 -0.020 0.000 0.973 277 D CA 0.509 54.505 54.000 -0.007 0.000 0.890 277 D CB 0.561 41.357 40.800 -0.005 0.000 1.011 277 D HN -0.131 nan 8.370 nan 0.000 0.499 278 S N 1.522 117.201 115.700 -0.035 0.000 2.327 278 S HA 0.181 4.651 4.470 0.000 0.000 0.203 278 S C -1.956 172.618 174.600 -0.044 0.000 1.326 278 S CA -0.832 57.343 58.200 -0.041 0.000 1.248 278 S CB 1.799 64.964 63.200 -0.058 0.000 1.199 278 S HN 0.085 nan 8.310 nan 0.000 0.422 279 P HA -0.081 nan 4.420 nan 0.000 0.217 279 P C 0.573 177.844 177.300 -0.048 0.000 1.150 279 P CA 1.242 64.334 63.100 -0.013 0.000 0.832 279 P CB 0.191 31.898 31.700 0.012 0.000 0.787 280 D N -0.126 120.253 120.400 -0.035 0.000 2.249 280 D HA -0.075 4.565 4.640 0.000 0.000 0.205 280 D C 1.825 177.986 176.300 -0.231 0.000 0.962 280 D CA 0.857 54.793 54.000 -0.107 0.000 0.860 280 D CB -0.178 40.676 40.800 0.090 0.000 0.955 280 D HN 0.277 nan 8.370 nan 0.000 0.505 281 E N 0.497 120.619 120.200 -0.131 0.000 2.107 281 E HA -0.009 4.341 4.350 0.000 0.000 0.191 281 E C 2.193 178.704 176.600 -0.149 0.000 0.982 281 E CA 0.395 56.721 56.400 -0.123 0.000 0.809 281 E CB 0.016 29.664 29.700 -0.087 0.000 0.756 281 E HN 0.276 nan 8.360 nan 0.000 0.459 282 I N 0.816 121.304 120.570 -0.135 0.000 2.202 282 I HA -0.146 4.024 4.170 0.000 0.000 0.242 282 I C 2.476 178.519 176.117 -0.123 0.000 1.091 282 I CA 1.190 62.433 61.300 -0.096 0.000 1.368 282 I CB -0.713 37.272 38.000 -0.025 0.000 1.058 282 I HN 0.199 nan 8.210 nan 0.000 0.410 283 G N 0.812 109.461 108.800 -0.253 0.000 2.491 283 G HA2 -0.327 3.633 3.960 0.000 0.000 0.218 283 G HA3 -0.327 3.633 3.960 0.000 0.000 0.218 283 G C 1.864 176.534 174.900 -0.384 0.000 1.180 283 G CA 1.066 45.922 45.100 -0.407 0.000 0.774 283 G HN 0.497 nan 8.290 nan 0.000 0.562 284 A N 1.032 123.560 122.820 -0.486 0.000 1.908 284 A HA 0.186 4.506 4.320 0.000 0.000 0.218 284 A C 2.823 180.371 177.584 -0.059 0.000 1.181 284 A CA 2.555 54.495 52.037 -0.161 0.000 0.627 284 A CB -0.794 18.143 19.000 -0.105 0.000 0.818 284 A HN 0.917 nan 8.150 nan 0.000 0.445 285 A N -0.340 122.432 122.820 -0.079 0.000 1.898 285 A HA -0.005 4.316 4.320 0.000 0.000 0.216 285 A C 2.111 179.706 177.584 0.019 0.000 1.181 285 A CA 1.417 53.428 52.037 -0.042 0.000 0.620 285 A CB -0.541 18.405 19.000 -0.089 0.000 0.819 285 A HN 0.486 nan 8.150 nan 0.000 0.442 286 I N -0.150 120.435 120.570 0.024 0.000 2.202 286 I HA -0.253 3.918 4.170 0.000 0.000 0.242 286 I C 2.948 179.149 176.117 0.140 0.000 1.091 286 I CA 1.106 62.469 61.300 0.105 0.000 1.368 286 I CB -0.302 37.752 38.000 0.091 0.000 1.058 286 I HN 0.326 nan 8.210 nan 0.000 0.410 287 A N 0.652 123.533 122.820 0.103 0.000 1.972 287 A HA -0.164 4.156 4.320 0.000 0.000 0.219 287 A C 2.518 180.158 177.584 0.093 0.000 1.169 287 A CA 1.830 53.928 52.037 0.102 0.000 0.635 287 A CB -0.821 18.249 19.000 0.117 0.000 0.810 287 A HN 0.441 nan 8.150 nan 0.000 0.446 288 A N -1.029 121.848 122.820 0.094 0.000 1.902 288 A HA -0.040 4.280 4.320 0.000 0.000 0.217 288 A C 2.000 179.671 177.584 0.145 0.000 1.181 288 A CA 1.620 53.714 52.037 0.094 0.000 0.623 288 A CB -0.734 18.308 19.000 0.071 0.000 0.818 288 A HN 0.609 nan 8.150 nan 0.000 0.443 289 F N 0.902 120.847 119.950 -0.008 0.000 2.095 289 F HA -0.172 4.354 4.527 -0.001 0.000 0.298 289 F C 2.304 178.099 175.800 -0.009 0.000 1.104 289 F CA 1.804 59.800 58.000 -0.007 0.000 1.232 289 F CB -0.561 38.432 39.000 -0.011 0.000 0.987 289 F HN 0.037 nan 8.300 nan 0.000 0.475 290 V N 0.237 120.126 119.914 -0.041 0.000 2.358 290 V HA -0.251 3.869 4.120 0.000 0.000 0.246 290 V C 2.544 178.576 176.094 -0.103 0.000 1.047 290 V CA 1.987 64.194 62.300 -0.156 0.000 1.035 290 V CB -0.678 31.104 31.823 -0.068 0.000 0.658 290 V HN 0.199 nan 8.190 nan 0.000 0.452 291 R N -0.194 120.287 120.500 -0.030 0.000 2.094 291 R HA -0.197 4.143 4.340 0.000 0.000 0.239 291 R C 2.587 178.867 176.300 -0.033 0.000 1.137 291 R CA 2.056 58.146 56.100 -0.017 0.000 0.943 291 R CB -0.368 29.940 30.300 0.013 0.000 0.850 291 R HN 0.420 nan 8.270 nan 0.000 0.433 292 R N 0.160 120.643 120.500 -0.027 0.000 2.091 292 R HA -0.138 4.202 4.340 0.000 0.000 0.238 292 R C 2.254 178.507 176.300 -0.077 0.000 1.136 292 R CA 1.417 57.501 56.100 -0.028 0.000 0.959 292 R CB -0.330 29.982 30.300 0.019 0.000 0.856 292 R HN 0.251 nan 8.270 nan 0.000 0.437 293 L N -0.203 120.922 121.223 -0.163 0.000 2.291 293 L HA -0.059 4.281 4.340 0.000 0.000 0.214 293 L C 0.756 177.552 176.870 -0.123 0.000 1.120 293 L CA 0.970 55.692 54.840 -0.196 0.000 0.799 293 L CB 0.041 41.883 42.059 -0.362 0.000 0.925 293 L HN 0.019 nan 8.230 nan 0.000 0.446 294 R N 0.241 120.683 120.500 -0.095 0.000 2.651 294 R HA 0.289 4.629 4.340 0.000 0.000 0.282 294 R C -2.417 173.860 176.300 -0.038 0.000 1.565 294 R CA -1.507 54.556 56.100 -0.062 0.000 1.661 294 R CB 0.629 30.893 30.300 -0.060 0.000 1.189 294 R HN -0.003 nan 8.270 nan 0.000 0.621 295 P HA 0.194 nan 4.420 nan 0.000 0.276 295 P C 0.083 177.375 177.300 -0.014 0.000 1.261 295 P CA -0.478 62.611 63.100 -0.018 0.000 0.800 295 P CB 0.641 32.333 31.700 -0.015 0.000 1.066 296 A N 0.000 122.815 122.820 -0.008 0.000 2.254 296 A HA 0.000 4.320 4.320 0.000 0.000 0.244 296 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 296 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 296 A HN 0.000 nan 8.150 nan 0.000 0.486