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 1rtt_1_A DATA FIRST_RESID 7 DATA SEQUENCE IKVLGISGSL RSGSYNSAAL QEAIGLVPPG MSIELADISG IPLYNEDVYA DATA SEQUENCE LGFPPAVERF REQIRAADAL LFATPEYNYS MAGVLKNAID WASRPPEQPF DATA SEQUENCE SGKPAAILGA SAGRFGTARA QYHLRQTLVF LDVHPLNKPE VMISSAQNAF DATA SEQUENCE DAQGRLLDDK ARELIQQQLQ ALQL 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 7 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 176.115 176.117 -0.003 0.000 1.063 7 I CA 0.000 61.300 61.300 -0.001 0.000 1.566 7 I CB 0.000 38.002 38.000 0.003 0.000 1.214 8 K N 5.573 125.969 120.400 -0.007 0.000 2.262 8 K HA 0.600 4.921 4.320 0.000 0.000 0.282 8 K C -0.660 175.932 176.600 -0.014 0.000 1.066 8 K CA -0.578 55.703 56.287 -0.011 0.000 0.901 8 K CB 2.185 34.676 32.500 -0.016 0.000 1.089 8 K HN 0.285 nan 8.250 nan 0.000 0.476 9 V N 4.279 124.185 119.914 -0.013 0.000 2.459 9 V HA 0.285 4.405 4.120 0.000 0.000 0.295 9 V C -0.377 175.701 176.094 -0.028 0.000 1.029 9 V CA -1.094 61.195 62.300 -0.019 0.000 0.874 9 V CB 1.676 33.493 31.823 -0.009 0.000 0.985 9 V HN 0.524 nan 8.190 nan 0.000 0.438 10 L N 4.857 126.052 121.223 -0.047 0.000 2.257 10 L HA 0.776 5.116 4.340 0.000 0.000 0.290 10 L C 0.614 177.443 176.870 -0.068 0.000 1.044 10 L CA 0.328 55.141 54.840 -0.046 0.000 0.810 10 L CB 0.885 42.913 42.059 -0.052 0.000 1.193 10 L HN 0.719 nan 8.230 nan 0.000 0.425 11 G N 6.307 115.085 108.800 -0.037 0.000 2.353 11 G HA2 0.548 4.509 3.960 0.000 0.000 0.284 11 G HA3 0.548 4.509 3.960 0.000 0.000 0.284 11 G C -0.637 174.246 174.900 -0.028 0.000 1.172 11 G CA -0.408 44.668 45.100 -0.040 0.000 0.854 11 G HN 0.626 nan 8.290 nan 0.000 0.485 12 I N 1.936 122.477 120.570 -0.048 0.000 2.448 12 I HA 0.204 4.374 4.170 0.000 0.000 0.281 12 I C 0.282 176.431 176.117 0.054 0.000 1.027 12 I CA -0.543 60.763 61.300 0.010 0.000 1.111 12 I CB 1.883 39.907 38.000 0.040 0.000 1.236 12 I HN 0.441 nan 8.210 nan 0.000 0.452 13 S N 3.632 119.346 115.700 0.024 0.000 2.513 13 S HA 0.420 4.890 4.470 0.000 0.000 0.276 13 S C 1.114 175.732 174.600 0.030 0.000 1.254 13 S CA -0.333 57.885 58.200 0.031 0.000 1.053 13 S CB 1.267 64.470 63.200 0.004 0.000 0.958 13 S HN 0.809 nan 8.310 nan 0.000 0.491 14 G N 2.504 111.328 108.800 0.040 0.000 3.088 14 G HA2 0.215 4.175 3.960 0.000 0.000 0.212 14 G HA3 0.215 4.175 3.960 0.000 0.000 0.212 14 G C 0.249 175.152 174.900 0.005 0.000 1.173 14 G CA -0.114 44.998 45.100 0.021 0.000 0.779 14 G HN 0.673 nan 8.290 nan 0.000 0.540 15 S N -0.684 115.024 115.700 0.014 0.000 2.513 15 S HA 0.540 5.010 4.470 0.000 0.000 0.299 15 S C 0.832 175.440 174.600 0.014 0.000 1.087 15 S CA -0.779 57.444 58.200 0.038 0.000 1.012 15 S CB 1.370 64.594 63.200 0.040 0.000 1.044 15 S HN 0.044 nan 8.310 nan 0.000 0.485 16 L N 3.331 124.569 121.223 0.025 0.000 2.554 16 L HA 0.297 4.637 4.340 0.000 0.000 0.225 16 L C 1.339 178.198 176.870 -0.019 0.000 1.104 16 L CA -0.170 54.670 54.840 -0.001 0.000 0.866 16 L CB -0.204 41.861 42.059 0.010 0.000 1.047 16 L HN 0.635 nan 8.230 nan 0.000 0.468 17 R N 0.404 120.889 120.500 -0.025 0.000 2.594 17 R HA 0.078 4.418 4.340 0.000 0.000 0.272 17 R C 1.274 177.529 176.300 -0.076 0.000 1.074 17 R CA 0.547 56.615 56.100 -0.053 0.000 1.105 17 R CB 0.642 30.899 30.300 -0.071 0.000 1.008 17 R HN 0.067 nan 8.270 nan 0.000 0.472 18 S N 2.089 117.745 115.700 -0.074 0.000 2.383 18 S HA -0.117 4.354 4.470 0.000 0.000 0.229 18 S C 1.624 176.160 174.600 -0.107 0.000 1.030 18 S CA 0.789 58.943 58.200 -0.076 0.000 1.002 18 S CB -0.361 62.803 63.200 -0.059 0.000 0.829 18 S HN 0.859 nan 8.310 nan 0.000 0.467 19 G N 1.125 109.838 108.800 -0.145 0.000 3.314 19 G HA2 0.280 4.240 3.960 0.000 0.000 0.238 19 G HA3 0.280 4.240 3.960 0.000 0.000 0.238 19 G C 0.128 174.824 174.900 -0.340 0.000 1.184 19 G CA -0.008 44.968 45.100 -0.207 0.000 0.806 19 G HN 0.556 nan 8.290 nan 0.000 0.536 20 S N -0.042 115.497 115.700 -0.270 0.000 2.626 20 S HA -0.048 4.422 4.470 0.000 0.000 0.303 20 S C 1.347 175.757 174.600 -0.317 0.000 1.256 20 S CA -0.314 57.717 58.200 -0.281 0.000 1.069 20 S CB 0.182 63.302 63.200 -0.132 0.000 0.807 20 S HN 0.353 nan 8.310 nan 0.000 0.500 21 Y N 4.284 124.457 120.300 -0.210 0.000 2.293 21 Y HA -0.042 4.508 4.550 0.000 0.000 0.291 21 Y C 2.452 178.210 175.900 -0.237 0.000 1.137 21 Y CA 1.046 58.915 58.100 -0.385 0.000 1.202 21 Y CB -0.559 37.819 38.460 -0.137 0.000 0.990 21 Y HN 0.651 nan 8.280 nan 0.000 0.537 22 N N -0.588 118.149 118.700 0.061 0.000 2.216 22 N HA -0.123 4.617 4.740 0.000 0.000 0.183 22 N C 1.870 177.394 175.510 0.023 0.000 1.017 22 N CA 1.381 54.472 53.050 0.067 0.000 0.861 22 N CB -0.229 38.296 38.487 0.064 0.000 0.986 22 N HN 0.241 nan 8.380 nan 0.000 0.428 23 S N 1.009 116.691 115.700 -0.030 0.000 2.383 23 S HA -0.002 4.469 4.470 0.000 0.000 0.227 23 S C 2.137 176.715 174.600 -0.037 0.000 1.026 23 S CA 0.902 59.083 58.200 -0.032 0.000 0.981 23 S CB -0.108 63.060 63.200 -0.055 0.000 0.818 23 S HN 0.441 nan 8.310 nan 0.000 0.472 24 A N 1.604 124.352 122.820 -0.119 0.000 1.933 24 A HA 0.137 4.457 4.320 0.000 0.000 0.218 24 A C 2.335 179.980 177.584 0.103 0.000 1.175 24 A CA 1.604 53.566 52.037 -0.125 0.000 0.628 24 A CB -1.000 17.677 19.000 -0.538 0.000 0.814 24 A HN 0.499 nan 8.150 nan 0.000 0.444 25 A N -0.167 122.750 122.820 0.161 0.000 1.902 25 A HA -0.048 4.272 4.320 0.000 0.000 0.217 25 A C 2.165 179.846 177.584 0.161 0.000 1.181 25 A CA 1.495 53.710 52.037 0.295 0.000 0.623 25 A CB -0.584 18.584 19.000 0.280 0.000 0.818 25 A HN 0.472 nan 8.150 nan 0.000 0.443 26 L N -1.150 120.133 121.223 0.100 0.000 2.056 26 L HA -0.214 4.127 4.340 0.000 0.000 0.207 26 L C 2.859 179.765 176.870 0.059 0.000 1.078 26 L CA 1.655 56.535 54.840 0.066 0.000 0.749 26 L CB -0.475 41.609 42.059 0.041 0.000 0.901 26 L HN 0.469 nan 8.230 nan 0.000 0.433 27 Q N 0.307 120.142 119.800 0.059 0.000 2.084 27 Q HA -0.218 4.123 4.340 0.000 0.000 0.202 27 Q C 2.065 178.106 176.000 0.069 0.000 0.978 27 Q CA 1.602 57.436 55.803 0.051 0.000 0.844 27 Q CB -0.020 28.744 28.738 0.043 0.000 0.898 27 Q HN 0.324 nan 8.270 nan 0.000 0.426 28 E N -0.342 119.921 120.200 0.106 0.000 2.106 28 E HA -0.102 4.249 4.350 0.000 0.000 0.192 28 E C 1.835 178.476 176.600 0.069 0.000 0.984 28 E CA 1.014 57.474 56.400 0.101 0.000 0.806 28 E CB -0.334 29.454 29.700 0.146 0.000 0.750 28 E HN 0.473 nan 8.360 nan 0.000 0.458 29 A N 1.446 124.308 122.820 0.070 0.000 1.978 29 A HA -0.169 4.152 4.320 0.000 0.000 0.220 29 A C 2.279 179.885 177.584 0.036 0.000 1.170 29 A CA 1.029 53.096 52.037 0.050 0.000 0.636 29 A CB -0.720 18.311 19.000 0.052 0.000 0.810 29 A HN 0.191 nan 8.150 nan 0.000 0.448 30 I N -0.383 120.208 120.570 0.035 0.000 2.248 30 I HA -0.242 3.929 4.170 0.000 0.000 0.248 30 I C 2.327 178.458 176.117 0.022 0.000 1.107 30 I CA 1.313 62.628 61.300 0.025 0.000 1.373 30 I CB -0.418 37.595 38.000 0.022 0.000 1.055 30 I HN 0.420 nan 8.210 nan 0.000 0.418 31 G N -0.052 108.764 108.800 0.027 0.000 3.042 31 G HA2 0.214 4.174 3.960 0.000 0.000 0.212 31 G HA3 0.214 4.174 3.960 0.000 0.000 0.212 31 G C 1.247 176.159 174.900 0.019 0.000 1.166 31 G CA -0.152 44.961 45.100 0.022 0.000 0.767 31 G HN 0.286 nan 8.290 nan 0.000 0.546 32 L N 1.143 122.379 121.223 0.021 0.000 2.766 32 L HA 0.211 4.552 4.340 0.000 0.000 0.242 32 L C 0.938 177.818 176.870 0.016 0.000 1.136 32 L CA -0.304 54.546 54.840 0.018 0.000 0.933 32 L CB 0.527 42.599 42.059 0.020 0.000 1.241 32 L HN 0.098 nan 8.230 nan 0.000 0.522 33 V N -1.569 118.355 119.914 0.016 0.000 2.963 33 V HA 0.321 4.441 4.120 0.000 0.000 0.306 33 V C -1.934 174.167 176.094 0.011 0.000 1.077 33 V CA -1.403 60.905 62.300 0.013 0.000 1.124 33 V CB -0.173 31.657 31.823 0.012 0.000 0.987 33 V HN -0.006 nan 8.190 nan 0.000 0.487 34 P HA 0.432 nan 4.420 nan 0.000 0.276 34 P C -2.861 174.443 177.300 0.007 0.000 1.252 34 P CA -1.969 61.136 63.100 0.008 0.000 0.802 34 P CB 0.099 31.804 31.700 0.008 0.000 1.035 35 P HA 0.119 nan 4.420 nan 0.000 0.266 35 P C 0.915 178.218 177.300 0.004 0.000 1.195 35 P CA 1.251 64.354 63.100 0.005 0.000 0.768 35 P CB -0.144 31.558 31.700 0.004 0.000 0.838 36 G N 1.160 109.962 108.800 0.003 0.000 2.175 36 G HA2 -0.233 3.727 3.960 0.000 0.000 0.244 36 G HA3 -0.233 3.727 3.960 0.000 0.000 0.244 36 G C -0.129 174.773 174.900 0.003 0.000 0.982 36 G CA 0.108 45.209 45.100 0.003 0.000 0.641 36 G HN 0.600 nan 8.290 nan 0.000 0.527 37 M N 1.082 120.684 119.600 0.004 0.000 2.518 37 M HA 0.663 5.143 4.480 0.000 0.000 0.300 37 M C -0.570 175.732 176.300 0.004 0.000 1.175 37 M CA -0.119 55.183 55.300 0.004 0.000 0.890 37 M CB 2.218 34.822 32.600 0.006 0.000 1.710 37 M HN 0.776 nan 8.290 nan 0.000 0.453 38 S N 3.731 119.432 115.700 0.002 0.000 2.536 38 S HA 0.690 5.160 4.470 0.000 0.000 0.271 38 S C -1.147 173.454 174.600 0.000 0.000 1.134 38 S CA -0.879 57.323 58.200 0.002 0.000 0.897 38 S CB 1.424 64.624 63.200 0.001 0.000 1.094 38 S HN 0.727 nan 8.310 nan 0.000 0.473 39 I N 1.810 122.382 120.570 0.002 0.000 2.377 39 I HA 0.479 4.649 4.170 0.000 0.000 0.293 39 I C 0.087 176.204 176.117 -0.001 0.000 0.987 39 I CA -0.357 60.943 61.300 0.000 0.000 1.185 39 I CB 1.706 39.709 38.000 0.005 0.000 1.341 39 I HN 0.807 nan 8.210 nan 0.000 0.455 40 E N 6.866 127.064 120.200 -0.005 0.000 2.212 40 E HA 0.546 4.896 4.350 0.000 0.000 0.268 40 E C -1.496 175.103 176.600 -0.002 0.000 0.902 40 E CA -0.717 55.681 56.400 -0.004 0.000 0.779 40 E CB 1.664 31.360 29.700 -0.006 0.000 1.172 40 E HN 0.491 nan 8.360 nan 0.000 0.409 41 L N 2.765 123.987 121.223 -0.001 0.000 2.325 41 L HA 0.578 4.918 4.340 0.000 0.000 0.279 41 L C 0.123 176.993 176.870 0.001 0.000 1.054 41 L CA -0.785 54.054 54.840 -0.002 0.000 0.804 41 L CB 1.523 43.578 42.059 -0.007 0.000 1.200 41 L HN 0.587 nan 8.230 nan 0.000 0.436 42 A N 1.653 124.476 122.820 0.005 0.000 2.304 42 A HA 0.395 4.715 4.320 0.000 0.000 0.301 42 A C -0.750 176.786 177.584 -0.081 0.000 1.132 42 A CA -0.411 51.627 52.037 0.001 0.000 0.819 42 A CB 0.718 19.767 19.000 0.081 0.000 1.094 42 A HN 0.686 nan 8.150 nan 0.000 0.492 43 D N 2.175 122.510 120.400 -0.108 0.000 2.441 43 D HA 0.348 4.989 4.640 0.000 0.000 0.231 43 D C 0.533 176.709 176.300 -0.206 0.000 1.073 43 D CA -0.325 53.602 54.000 -0.122 0.000 0.850 43 D CB 0.793 41.549 40.800 -0.074 0.000 1.062 43 D HN 0.460 nan 8.370 nan 0.000 0.524 44 I N 1.084 121.506 120.570 -0.247 0.000 3.928 44 I HA 0.102 4.272 4.170 0.000 0.000 0.335 44 I C 1.464 177.493 176.117 -0.147 0.000 1.325 44 I CA -0.256 60.866 61.300 -0.297 0.000 1.107 44 I CB 0.169 37.940 38.000 -0.381 0.000 1.014 44 I HN 0.135 nan 8.210 nan 0.000 0.400 45 S N 1.257 116.897 115.700 -0.101 0.000 2.442 45 S HA -0.056 4.415 4.470 0.000 0.000 0.236 45 S C 1.830 176.403 174.600 -0.047 0.000 1.007 45 S CA 1.055 59.221 58.200 -0.056 0.000 0.965 45 S CB -0.903 62.270 63.200 -0.045 0.000 0.773 45 S HN 0.594 nan 8.310 nan 0.000 0.504 46 G N 0.492 109.253 108.800 -0.065 0.000 3.042 46 G HA2 0.351 4.312 3.960 0.000 0.000 0.212 46 G HA3 0.351 4.312 3.960 0.000 0.000 0.212 46 G C 0.369 175.226 174.900 -0.072 0.000 1.166 46 G CA -0.484 44.581 45.100 -0.057 0.000 0.767 46 G HN 0.535 nan 8.290 nan 0.000 0.546 47 I N 3.175 123.697 120.570 -0.080 0.000 2.452 47 I HA 0.167 4.337 4.170 0.000 0.000 0.287 47 I C -1.475 174.641 176.117 -0.001 0.000 1.079 47 I CA -1.621 59.617 61.300 -0.103 0.000 1.387 47 I CB 1.258 39.219 38.000 -0.064 0.000 1.404 47 I HN 0.042 nan 8.210 nan 0.000 0.522 48 P HA 0.218 nan 4.420 nan 0.000 0.276 48 P C -0.539 177.003 177.300 0.402 0.000 1.261 48 P CA -0.597 62.596 63.100 0.154 0.000 0.800 48 P CB 1.014 32.785 31.700 0.119 0.000 1.066 49 L N 0.584 122.002 121.223 0.326 0.000 2.456 49 L HA 0.061 4.402 4.340 0.000 0.000 0.272 49 L C 0.929 178.075 176.870 0.461 0.000 1.189 49 L CA -0.408 54.638 54.840 0.344 0.000 0.846 49 L CB -0.321 41.855 42.059 0.194 0.000 1.111 49 L HN 0.389 nan 8.230 nan 0.000 0.475 50 Y N 4.330 124.747 120.300 0.196 0.000 2.610 50 Y HA 0.062 4.612 4.550 0.000 0.000 0.332 50 Y C 0.187 176.010 175.900 -0.128 0.000 1.201 50 Y CA 0.224 58.182 58.100 -0.237 0.000 1.465 50 Y CB 0.369 38.479 38.460 -0.583 0.000 1.283 50 Y HN 0.534 nan 8.280 nan 0.000 0.563 51 N N 4.623 122.678 118.700 -1.074 0.000 2.542 51 N HA 0.053 4.794 4.740 0.000 0.000 0.288 51 N C 0.170 175.151 175.510 -0.881 0.000 1.115 51 N CA -0.378 52.266 53.050 -0.676 0.000 0.924 51 N CB 1.340 39.708 38.487 -0.198 0.000 1.526 51 N HN 0.798 nan 8.380 nan 0.000 0.515 52 E N 2.199 121.981 120.200 -0.696 0.000 2.130 52 E HA -0.159 4.191 4.350 0.000 0.000 0.196 52 E C 0.396 176.946 176.600 -0.084 0.000 0.998 52 E CA 1.849 58.079 56.400 -0.283 0.000 0.806 52 E CB 0.228 29.909 29.700 -0.032 0.000 0.738 52 E HN 0.566 nan 8.360 nan 0.000 0.459 53 D N -0.720 119.622 120.400 -0.096 0.000 2.218 53 D HA -0.107 4.533 4.640 0.000 0.000 0.204 53 D C 1.872 178.163 176.300 -0.015 0.000 0.976 53 D CA 0.960 54.937 54.000 -0.038 0.000 0.853 53 D CB 0.002 40.783 40.800 -0.033 0.000 0.939 53 D HN 0.167 nan 8.370 nan 0.000 0.481 54 V N 0.468 120.385 119.914 0.004 0.000 2.346 54 V HA -0.208 3.913 4.120 0.000 0.000 0.244 54 V C 2.180 178.377 176.094 0.172 0.000 1.037 54 V CA 0.935 63.298 62.300 0.105 0.000 1.029 54 V CB -0.650 31.300 31.823 0.212 0.000 0.663 54 V HN 0.130 nan 8.190 nan 0.000 0.454 55 Y N 2.135 122.482 120.300 0.079 0.000 2.207 55 Y HA -0.267 4.283 4.550 0.000 0.000 0.287 55 Y C 2.326 178.191 175.900 -0.058 0.000 1.156 55 Y CA 1.487 59.640 58.100 0.089 0.000 1.182 55 Y CB -0.628 37.797 38.460 -0.057 0.000 0.979 55 Y HN 0.146 nan 8.280 nan 0.000 0.521 56 A N 0.290 122.964 122.820 -0.243 0.000 2.024 56 A HA -0.133 4.187 4.320 0.000 0.000 0.220 56 A C 2.092 179.514 177.584 -0.272 0.000 1.164 56 A CA 1.826 53.672 52.037 -0.317 0.000 0.643 56 A CB -1.023 17.911 19.000 -0.110 0.000 0.806 56 A HN 0.583 nan 8.150 nan 0.000 0.451 57 L N -1.756 119.360 121.223 -0.179 0.000 2.567 57 L HA 0.371 4.711 4.340 0.000 0.000 0.225 57 L C 1.042 177.831 176.870 -0.135 0.000 1.119 57 L CA 0.353 55.120 54.840 -0.122 0.000 0.871 57 L CB -0.292 41.734 42.059 -0.055 0.000 1.036 57 L HN 0.559 nan 8.230 nan 0.000 0.459 58 G N -0.877 107.790 108.800 -0.223 0.000 2.334 58 G HA2 -0.027 3.934 3.960 0.000 0.000 0.566 58 G HA3 -0.027 3.934 3.960 0.000 0.000 0.566 58 G C -1.101 173.734 174.900 -0.109 0.000 1.413 58 G CA -1.076 43.907 45.100 -0.194 0.000 0.993 58 G HN -0.200 nan 8.290 nan 0.000 0.642 59 F N 1.288 121.292 119.950 0.090 0.000 2.456 59 F HA 0.472 4.999 4.527 0.001 0.000 0.358 59 F C -1.230 174.531 175.800 -0.066 0.000 1.095 59 F CA -1.304 56.750 58.000 0.090 0.000 1.216 59 F CB 0.900 39.970 39.000 0.117 0.000 1.125 59 F HN 0.174 nan 8.300 nan 0.000 0.549 60 P HA 0.077 nan 4.420 nan 0.000 0.269 60 P C -2.035 175.230 177.300 -0.059 0.000 1.209 60 P CA -0.860 62.170 63.100 -0.118 0.000 0.776 60 P CB 0.367 31.873 31.700 -0.323 0.000 0.876 61 P HA -0.277 nan 4.420 nan 0.000 0.216 61 P C 1.181 178.457 177.300 -0.041 0.000 1.154 61 P CA 2.130 65.216 63.100 -0.023 0.000 0.865 61 P CB -0.269 31.418 31.700 -0.022 0.000 0.789 62 A N -1.005 121.771 122.820 -0.072 0.000 1.972 62 A HA -0.143 4.177 4.320 0.000 0.000 0.219 62 A C 2.283 179.837 177.584 -0.050 0.000 1.169 62 A CA 1.697 53.691 52.037 -0.071 0.000 0.635 62 A CB -1.569 17.372 19.000 -0.100 0.000 0.810 62 A HN 0.061 nan 8.150 nan 0.000 0.446 63 V N -0.216 119.639 119.914 -0.098 0.000 2.453 63 V HA -0.211 3.909 4.120 0.000 0.000 0.247 63 V C 2.451 178.510 176.094 -0.058 0.000 1.048 63 V CA 2.047 64.323 62.300 -0.039 0.000 1.049 63 V CB -0.622 31.122 31.823 -0.133 0.000 0.672 63 V HN 0.767 nan 8.190 nan 0.000 0.457 64 E N 0.579 120.735 120.200 -0.073 0.000 2.077 64 E HA -0.308 4.042 4.350 0.000 0.000 0.193 64 E C 2.354 178.909 176.600 -0.076 0.000 0.989 64 E CA 1.525 57.859 56.400 -0.111 0.000 0.800 64 E CB -0.045 29.645 29.700 -0.018 0.000 0.746 64 E HN 0.401 nan 8.360 nan 0.000 0.452 65 R N 0.118 120.606 120.500 -0.020 0.000 2.081 65 R HA -0.168 4.172 4.340 0.000 0.000 0.235 65 R C 2.078 178.410 176.300 0.053 0.000 1.131 65 R CA 1.621 57.723 56.100 0.003 0.000 0.960 65 R CB -1.017 29.288 30.300 0.008 0.000 0.856 65 R HN 0.277 nan 8.270 nan 0.000 0.436 66 F N 1.161 121.041 119.950 -0.116 0.000 2.102 66 F HA -0.051 4.476 4.527 0.000 0.000 0.298 66 F C 1.897 177.589 175.800 -0.180 0.000 1.105 66 F CA 1.669 59.599 58.000 -0.118 0.000 1.239 66 F CB -0.447 38.505 39.000 -0.081 0.000 0.991 66 F HN -0.013 nan 8.300 nan 0.000 0.474 67 R N 0.056 120.395 120.500 -0.269 0.000 2.096 67 R HA -0.143 4.197 4.340 0.000 0.000 0.235 67 R C 2.156 178.265 176.300 -0.317 0.000 1.127 67 R CA 1.450 57.285 56.100 -0.443 0.000 0.968 67 R CB -0.378 29.660 30.300 -0.437 0.000 0.861 67 R HN 0.267 nan 8.270 nan 0.000 0.440 68 E N 0.796 120.880 120.200 -0.192 0.000 2.077 68 E HA -0.209 4.141 4.350 0.000 0.000 0.193 68 E C 2.016 178.539 176.600 -0.129 0.000 0.989 68 E CA 1.276 57.595 56.400 -0.135 0.000 0.800 68 E CB -0.025 29.627 29.700 -0.080 0.000 0.746 68 E HN 0.478 nan 8.360 nan 0.000 0.452 69 Q N 0.061 119.794 119.800 -0.111 0.000 2.079 69 Q HA -0.073 4.267 4.340 0.000 0.000 0.200 69 Q C 2.403 178.309 176.000 -0.157 0.000 0.974 69 Q CA 0.907 56.659 55.803 -0.085 0.000 0.840 69 Q CB -0.094 28.647 28.738 0.004 0.000 0.898 69 Q HN 0.300 nan 8.270 nan 0.000 0.430 70 I N 0.403 120.793 120.570 -0.301 0.000 2.226 70 I HA -0.291 3.879 4.170 0.000 0.000 0.245 70 I C 2.642 178.601 176.117 -0.264 0.000 1.100 70 I CA 1.097 62.167 61.300 -0.384 0.000 1.374 70 I CB -0.309 37.238 38.000 -0.756 0.000 1.057 70 I HN 0.158 nan 8.210 nan 0.000 0.413 71 R N 1.523 121.879 120.500 -0.241 0.000 2.091 71 R HA -0.182 4.158 4.340 0.000 0.000 0.238 71 R C 2.236 178.471 176.300 -0.108 0.000 1.136 71 R CA 1.745 57.748 56.100 -0.162 0.000 0.959 71 R CB -0.242 29.972 30.300 -0.143 0.000 0.856 71 R HN 0.356 nan 8.270 nan 0.000 0.437 72 A N 0.595 123.356 122.820 -0.099 0.000 2.067 72 A HA 0.266 4.586 4.320 0.000 0.000 0.217 72 A C 0.992 178.541 177.584 -0.057 0.000 1.156 72 A CA 0.667 52.664 52.037 -0.067 0.000 0.683 72 A CB -0.230 18.736 19.000 -0.056 0.000 0.808 72 A HN 0.492 nan 8.150 nan 0.000 0.455 73 A N -0.011 122.766 122.820 -0.071 0.000 2.371 73 A HA 0.413 4.733 4.320 0.000 0.000 0.257 73 A C 0.413 177.974 177.584 -0.039 0.000 1.089 73 A CA -0.068 51.936 52.037 -0.055 0.000 0.794 73 A CB 0.288 19.247 19.000 -0.069 0.000 1.029 73 A HN 0.306 nan 8.150 nan 0.000 0.488 74 D N 0.268 120.655 120.400 -0.022 0.000 2.305 74 D HA 0.318 4.958 4.640 0.000 0.000 0.206 74 D C 0.615 176.918 176.300 0.005 0.000 0.974 74 D CA 1.622 55.618 54.000 -0.007 0.000 0.871 74 D CB 0.406 41.204 40.800 -0.003 0.000 0.947 74 D HN 0.706 nan 8.370 nan 0.000 0.516 75 A N 0.035 122.854 122.820 -0.001 0.000 2.609 75 A HA 0.660 4.980 4.320 0.000 0.000 0.291 75 A C -1.616 175.958 177.584 -0.017 0.000 1.096 75 A CA -0.628 51.416 52.037 0.013 0.000 0.684 75 A CB 1.047 20.061 19.000 0.022 0.000 1.282 75 A HN 0.024 nan 8.150 nan 0.000 0.412 76 L N 0.387 121.600 121.223 -0.016 0.000 2.354 76 L HA 0.743 5.083 4.340 0.000 0.000 0.269 76 L C -1.182 175.613 176.870 -0.124 0.000 1.005 76 L CA -0.906 53.854 54.840 -0.133 0.000 0.819 76 L CB 1.931 43.858 42.059 -0.220 0.000 1.311 76 L HN 0.605 nan 8.230 nan 0.000 0.423 77 L N 2.513 123.611 121.223 -0.208 0.000 2.415 77 L HA 0.535 4.875 4.340 0.000 0.000 0.268 77 L C -1.300 175.494 176.870 -0.127 0.000 0.984 77 L CA 0.095 54.889 54.840 -0.077 0.000 0.853 77 L CB 0.898 42.945 42.059 -0.019 0.000 1.215 77 L HN 0.208 nan 8.230 nan 0.000 0.419 78 F N 3.913 123.897 119.950 0.058 0.000 2.404 78 F HA 0.679 5.206 4.527 0.001 0.000 0.345 78 F C 0.818 176.636 175.800 0.031 0.000 1.110 78 F CA -0.254 57.777 58.000 0.052 0.000 1.130 78 F CB 1.672 40.691 39.000 0.031 0.000 1.129 78 F HN 0.606 nan 8.300 nan 0.000 0.500 79 A N 2.502 125.444 122.820 0.203 0.000 2.399 79 A HA 0.477 4.797 4.320 0.000 0.000 0.327 79 A C -0.227 177.418 177.584 0.102 0.000 1.367 79 A CA -0.517 51.594 52.037 0.125 0.000 0.842 79 A CB 0.406 19.460 19.000 0.090 0.000 1.142 79 A HN 0.634 nan 8.150 nan 0.000 0.495 80 T N 4.379 118.974 114.554 0.069 0.000 2.743 80 T HA 0.579 4.929 4.350 0.000 0.000 0.292 80 T C -2.743 171.931 174.700 -0.044 0.000 0.972 80 T CA -1.799 60.303 62.100 0.003 0.000 0.967 80 T CB 0.369 69.215 68.868 -0.036 0.000 0.926 80 T HN 0.356 nan 8.240 nan 0.000 0.459 81 P HA 0.305 nan 4.420 nan 0.000 0.276 81 P C -0.981 176.165 177.300 -0.257 0.000 1.244 81 P CA -0.437 62.568 63.100 -0.158 0.000 0.801 81 P CB 0.541 32.072 31.700 -0.282 0.000 1.006 82 E N 1.423 121.543 120.200 -0.134 0.000 2.191 82 E HA 0.339 4.689 4.350 0.000 0.000 0.263 82 E C -1.445 175.232 176.600 0.128 0.000 0.881 82 E CA -0.583 55.785 56.400 -0.054 0.000 0.757 82 E CB 0.510 30.239 29.700 0.048 0.000 1.147 82 E HN 0.288 nan 8.360 nan 0.000 0.414 83 Y N 2.605 122.958 120.300 0.089 0.000 2.391 83 Y HA 0.298 4.848 4.550 0.000 0.000 0.341 83 Y C 0.181 176.132 175.900 0.084 0.000 0.965 83 Y CA -1.930 56.217 58.100 0.078 0.000 1.067 83 Y CB 1.478 39.970 38.460 0.054 0.000 1.199 83 Y HN 0.579 nan 8.280 nan 0.000 0.450 84 N N 3.027 121.858 118.700 0.218 0.000 2.725 84 N HA -0.257 4.484 4.740 0.000 0.000 0.251 84 N C -0.828 174.783 175.510 0.169 0.000 1.031 84 N CA 1.127 54.220 53.050 0.071 0.000 0.720 84 N CB -1.195 37.324 38.487 0.053 0.000 0.930 84 N HN 0.812 nan 8.380 nan 0.000 0.543 85 Y N -3.586 116.760 120.300 0.077 0.000 4.409 85 Y HA -0.291 4.259 4.550 0.000 0.000 0.228 85 Y C 0.980 176.845 175.900 -0.060 0.000 1.108 85 Y CA 0.978 59.090 58.100 0.021 0.000 1.955 85 Y CB -2.131 36.347 38.460 0.029 0.000 1.615 85 Y HN 0.454 nan 8.280 nan 0.000 0.665 86 S N -1.725 114.058 115.700 0.138 0.000 2.727 86 S HA 0.734 5.204 4.470 0.000 0.000 0.278 86 S C -0.177 174.451 174.600 0.046 0.000 1.186 86 S CA -0.741 57.508 58.200 0.081 0.000 0.836 86 S CB 0.953 64.327 63.200 0.290 0.000 1.186 86 S HN 0.154 nan 8.310 nan 0.000 0.499 87 M N 2.246 121.875 119.600 0.048 0.000 2.252 87 M HA 0.275 4.756 4.480 0.000 0.000 0.333 87 M C 0.596 176.843 176.300 -0.088 0.000 1.111 87 M CA 0.033 55.307 55.300 -0.043 0.000 1.140 87 M CB 0.211 32.796 32.600 -0.024 0.000 1.538 87 M HN 0.721 nan 8.290 nan 0.000 0.448 88 A N 2.553 125.214 122.820 -0.265 0.000 2.520 88 A HA 0.340 4.660 4.320 0.000 0.000 0.245 88 A C 1.332 178.894 177.584 -0.037 0.000 1.072 88 A CA 0.173 51.985 52.037 -0.375 0.000 0.761 88 A CB -0.191 18.399 19.000 -0.682 0.000 1.004 88 A HN 1.086 nan 8.150 nan 0.000 0.499 89 G N 1.508 110.375 108.800 0.112 0.000 2.442 89 G HA2 -0.155 3.805 3.960 0.000 0.000 0.219 89 G HA3 -0.155 3.805 3.960 0.000 0.000 0.219 89 G C 1.269 176.232 174.900 0.106 0.000 1.141 89 G CA 1.279 46.446 45.100 0.112 0.000 0.763 89 G HN 0.636 nan 8.290 nan 0.000 0.554 90 V N 0.666 120.654 119.914 0.124 0.000 2.332 90 V HA -0.160 3.961 4.120 0.000 0.000 0.248 90 V C 2.672 178.823 176.094 0.096 0.000 1.055 90 V CA 1.723 64.092 62.300 0.114 0.000 1.038 90 V CB -0.493 31.398 31.823 0.114 0.000 0.651 90 V HN 0.377 nan 8.190 nan 0.000 0.450 91 L N 0.487 121.746 121.223 0.060 0.000 2.027 91 L HA -0.123 4.217 4.340 0.000 0.000 0.206 91 L C 2.383 179.315 176.870 0.104 0.000 1.074 91 L CA 2.206 57.093 54.840 0.078 0.000 0.745 91 L CB -0.813 41.270 42.059 0.040 0.000 0.898 91 L HN 0.232 nan 8.230 nan 0.000 0.433 92 K N 0.183 120.620 120.400 0.061 0.000 2.057 92 K HA -0.237 4.083 4.320 0.000 0.000 0.207 92 K C 2.048 178.698 176.600 0.084 0.000 1.049 92 K CA 1.895 58.209 56.287 0.045 0.000 0.931 92 K CB -0.675 31.834 32.500 0.015 0.000 0.714 92 K HN 0.508 nan 8.250 nan 0.000 0.440 93 N N -0.241 118.530 118.700 0.119 0.000 2.120 93 N HA -0.125 4.616 4.740 0.000 0.000 0.188 93 N C 1.462 177.153 175.510 0.302 0.000 1.024 93 N CA 1.674 54.830 53.050 0.176 0.000 0.852 93 N CB -0.333 38.281 38.487 0.211 0.000 1.003 93 N HN 0.281 nan 8.380 nan 0.000 0.424 94 A N 0.409 123.407 122.820 0.297 0.000 1.902 94 A HA -0.055 4.265 4.320 0.000 0.000 0.217 94 A C 2.286 180.206 177.584 0.561 0.000 1.181 94 A CA 1.131 53.402 52.037 0.390 0.000 0.623 94 A CB -0.741 18.373 19.000 0.191 0.000 0.818 94 A HN 0.406 nan 8.150 nan 0.000 0.443 95 I N -0.102 120.726 120.570 0.431 0.000 2.226 95 I HA -0.231 3.940 4.170 0.000 0.000 0.245 95 I C 1.822 178.107 176.117 0.280 0.000 1.100 95 I CA 1.370 62.906 61.300 0.393 0.000 1.374 95 I CB -0.460 37.606 38.000 0.111 0.000 1.057 95 I HN 0.252 nan 8.210 nan 0.000 0.413 96 D N 0.116 120.593 120.400 0.128 0.000 2.123 96 D HA -0.219 4.421 4.640 0.000 0.000 0.196 96 D C 1.907 178.162 176.300 -0.075 0.000 0.992 96 D CA 1.432 55.374 54.000 -0.096 0.000 0.833 96 D CB -0.334 40.288 40.800 -0.297 0.000 0.954 96 D HN 0.408 nan 8.370 nan 0.000 0.455 97 W N 1.326 122.692 121.300 0.111 0.000 2.378 97 W HA -0.080 4.580 4.660 0.001 0.000 0.313 97 W C 2.618 179.301 176.519 0.274 0.000 1.197 97 W CA 1.308 58.812 57.345 0.266 0.000 1.304 97 W CB -0.230 29.452 29.460 0.370 0.000 1.148 97 W HN -0.077 nan 8.180 nan 0.000 0.494 98 A N -0.325 122.815 122.820 0.535 0.000 2.067 98 A HA -0.175 4.145 4.320 0.000 0.000 0.219 98 A C 1.868 179.572 177.584 0.201 0.000 1.158 98 A CA 1.841 54.010 52.037 0.219 0.000 0.661 98 A CB -1.098 17.881 19.000 -0.034 0.000 0.801 98 A HN 0.260 nan 8.150 nan 0.000 0.452 99 S N -0.696 115.209 115.700 0.341 0.000 2.603 99 S HA 0.116 4.587 4.470 0.000 0.000 0.220 99 S C 0.902 175.605 174.600 0.170 0.000 0.967 99 S CA -0.444 57.926 58.200 0.284 0.000 0.920 99 S CB -0.102 63.232 63.200 0.223 0.000 0.773 99 S HN 0.387 nan 8.310 nan 0.000 0.529 100 R N 2.444 123.056 120.500 0.186 0.000 2.679 100 R HA 0.419 4.759 4.340 0.000 0.000 0.269 100 R C -2.683 173.800 176.300 0.304 0.000 1.076 100 R CA -2.135 54.048 56.100 0.138 0.000 1.160 100 R CB -0.835 29.450 30.300 -0.025 0.000 1.054 100 R HN 0.206 nan 8.270 nan 0.000 0.507 101 P HA 0.116 nan 4.420 nan 0.000 0.270 101 P C -2.214 175.370 177.300 0.474 0.000 1.223 101 P CA -0.784 62.493 63.100 0.295 0.000 0.785 101 P CB 0.140 31.985 31.700 0.241 0.000 0.923 102 P HA 0.116 nan 4.420 nan 0.000 0.282 102 P C -0.586 176.794 177.300 0.133 0.000 1.259 102 P CA -0.183 63.036 63.100 0.197 0.000 0.826 102 P CB 0.470 32.265 31.700 0.159 0.000 1.064 103 E N -0.126 120.120 120.200 0.078 0.000 2.023 103 E HA -0.227 4.124 4.350 0.000 0.000 0.164 103 E C 0.075 176.682 176.600 0.012 0.000 1.456 103 E CA 0.965 57.384 56.400 0.031 0.000 0.617 103 E CB -1.472 28.239 29.700 0.018 0.000 1.042 103 E HN 0.562 nan 8.360 nan 0.000 0.301 104 Q N 0.282 120.098 119.800 0.026 0.000 2.308 104 Q HA 0.041 4.381 4.340 0.000 0.000 0.313 104 Q C -1.333 174.632 176.000 -0.058 0.000 1.075 104 Q CA -0.340 55.465 55.803 0.004 0.000 0.995 104 Q CB 0.382 29.166 28.738 0.076 0.000 1.107 104 Q HN 0.032 nan 8.270 nan 0.000 0.380 105 P HA -0.155 nan 4.420 nan 0.000 0.228 105 P C 0.133 177.298 177.300 -0.225 0.000 1.151 105 P CA 0.958 63.909 63.100 -0.248 0.000 0.770 105 P CB 0.050 31.525 31.700 -0.374 0.000 0.786 106 F N 0.635 120.525 119.950 -0.099 0.000 2.293 106 F HA -0.001 4.526 4.527 0.000 0.000 0.300 106 F C 1.708 177.470 175.800 -0.063 0.000 1.086 106 F CA 0.557 58.517 58.000 -0.067 0.000 1.375 106 F CB -1.185 37.796 39.000 -0.032 0.000 1.045 106 F HN -0.145 nan 8.300 nan 0.000 0.516 107 S N 0.150 115.908 115.700 0.097 0.000 2.673 107 S HA 0.253 4.724 4.470 0.000 0.000 0.308 107 S C 1.316 175.932 174.600 0.026 0.000 1.246 107 S CA 0.750 58.961 58.200 0.019 0.000 1.077 107 S CB -0.369 62.822 63.200 -0.015 0.000 0.814 107 S HN 0.841 nan 8.310 nan 0.000 0.503 108 G N 4.275 113.087 108.800 0.019 0.000 2.184 108 G HA2 -0.222 3.739 3.960 0.000 0.000 0.264 108 G HA3 -0.222 3.739 3.960 0.000 0.000 0.264 108 G C -0.002 174.983 174.900 0.142 0.000 0.975 108 G CA 0.304 45.463 45.100 0.098 0.000 0.642 108 G HN 0.678 nan 8.290 nan 0.000 0.536 109 K N 1.634 122.095 120.400 0.101 0.000 2.298 109 K HA 0.350 4.670 4.320 0.000 0.000 0.280 109 K C -2.127 174.562 176.600 0.149 0.000 1.032 109 K CA -1.524 54.831 56.287 0.114 0.000 0.958 109 K CB 1.455 34.023 32.500 0.113 0.000 0.978 109 K HN 0.266 nan 8.250 nan 0.000 0.472 110 P HA 0.306 nan 4.420 nan 0.000 0.277 110 P C -1.137 176.244 177.300 0.134 0.000 1.240 110 P CA -0.448 62.742 63.100 0.151 0.000 0.798 110 P CB 1.340 33.102 31.700 0.104 0.000 0.979 111 A N 0.761 123.670 122.820 0.148 0.000 2.602 111 A HA 0.791 5.111 4.320 0.000 0.000 0.290 111 A C -1.650 176.025 177.584 0.152 0.000 1.114 111 A CA -0.526 51.612 52.037 0.168 0.000 0.683 111 A CB 1.345 20.527 19.000 0.303 0.000 1.281 111 A HN 0.585 nan 8.150 nan 0.000 0.416 112 A N 0.100 123.016 122.820 0.161 0.000 2.435 112 A HA 0.835 5.155 4.320 0.000 0.000 0.304 112 A C -1.071 176.626 177.584 0.189 0.000 1.064 112 A CA -0.400 51.716 52.037 0.131 0.000 0.727 112 A CB 0.875 19.927 19.000 0.086 0.000 1.284 112 A HN 0.848 nan 8.150 nan 0.000 0.415 113 I N 1.866 122.515 120.570 0.131 0.000 2.509 113 I HA 0.602 4.772 4.170 0.000 0.000 0.293 113 I C -0.903 175.253 176.117 0.065 0.000 1.020 113 I CA -0.807 60.566 61.300 0.123 0.000 1.088 113 I CB 1.909 39.923 38.000 0.024 0.000 1.267 113 I HN 0.717 nan 8.210 nan 0.000 0.430 114 L N 3.525 124.793 121.223 0.075 0.000 2.403 114 L HA 1.136 5.477 4.340 0.000 0.000 0.253 114 L C -0.549 176.353 176.870 0.052 0.000 1.045 114 L CA -0.436 54.435 54.840 0.052 0.000 0.845 114 L CB 1.792 43.892 42.059 0.067 0.000 1.447 114 L HN 0.633 nan 8.230 nan 0.000 0.411 115 G N -0.864 107.966 108.800 0.050 0.000 2.632 115 G HA2 0.859 4.819 3.960 0.000 0.000 0.292 115 G HA3 0.859 4.819 3.960 0.000 0.000 0.292 115 G C -2.153 172.797 174.900 0.083 0.000 1.465 115 G CA -0.208 44.927 45.100 0.058 0.000 0.824 115 G HN 1.132 nan 8.290 nan 0.000 0.509 116 A N -0.134 122.756 122.820 0.117 0.000 2.414 116 A HA 0.952 5.273 4.320 0.000 0.000 0.306 116 A C -0.357 177.315 177.584 0.147 0.000 1.054 116 A CA -0.165 51.956 52.037 0.140 0.000 0.724 116 A CB 2.032 21.178 19.000 0.243 0.000 1.267 116 A HN 1.919 nan 8.150 nan 0.000 0.418 117 S N 0.152 115.905 115.700 0.089 0.000 2.579 117 S HA 0.618 5.088 4.470 0.000 0.000 0.272 117 S C 0.673 175.287 174.600 0.023 0.000 1.141 117 S CA 0.309 58.581 58.200 0.119 0.000 0.843 117 S CB 1.608 64.879 63.200 0.117 0.000 1.122 117 S HN 1.923 nan 8.310 nan 0.000 0.468 118 A N 2.217 125.086 122.820 0.081 0.000 2.067 118 A HA 0.403 4.723 4.320 0.000 0.000 0.217 118 A C 1.243 178.833 177.584 0.009 0.000 1.156 118 A CA 0.937 52.987 52.037 0.022 0.000 0.683 118 A CB -1.126 17.947 19.000 0.122 0.000 0.808 118 A HN 1.096 nan 8.150 nan 0.000 0.455 119 G N -1.459 107.362 108.800 0.036 0.000 2.606 119 G HA2 0.286 4.246 3.960 0.000 0.000 0.252 119 G HA3 0.286 4.246 3.960 0.000 0.000 0.252 119 G C 0.781 175.638 174.900 -0.071 0.000 1.206 119 G CA -0.004 45.094 45.100 -0.004 0.000 0.861 119 G HN 0.421 nan 8.290 nan 0.000 0.561 120 R N 0.034 120.414 120.500 -0.200 0.000 2.105 120 R HA -0.088 4.252 4.340 0.000 0.000 0.239 120 R C 1.151 177.279 176.300 -0.287 0.000 1.135 120 R CA 1.380 57.274 56.100 -0.344 0.000 0.967 120 R CB -0.230 29.689 30.300 -0.635 0.000 0.861 120 R HN 0.474 nan 8.270 nan 0.000 0.442 121 F N 0.372 120.323 119.950 0.002 0.000 2.692 121 F HA 0.332 4.859 4.527 0.000 0.000 0.303 121 F C 1.306 177.100 175.800 -0.010 0.000 1.114 121 F CA 0.062 58.056 58.000 -0.011 0.000 1.361 121 F CB 0.083 39.061 39.000 -0.036 0.000 1.063 121 F HN 0.204 nan 8.300 nan 0.000 0.550 122 G N 1.655 110.533 108.800 0.129 0.000 2.422 122 G HA2 -0.322 3.638 3.960 0.000 0.000 0.301 122 G HA3 -0.322 3.638 3.960 0.000 0.000 0.301 122 G C 0.933 175.873 174.900 0.066 0.000 0.981 122 G CA 1.320 46.469 45.100 0.081 0.000 0.994 122 G HN 0.972 nan 8.290 nan 0.000 0.514 123 T N -6.667 107.931 114.554 0.072 0.000 5.975 123 T HA -0.123 4.228 4.350 0.000 0.000 0.273 123 T C 2.201 176.870 174.700 -0.052 0.000 2.189 123 T CA 1.930 64.040 62.100 0.018 0.000 3.660 123 T CB -1.778 67.088 68.868 -0.002 0.000 1.044 123 T HN 2.196 nan 8.240 nan 0.000 1.166 124 A N 1.784 124.589 122.820 -0.026 0.000 1.903 124 A HA -0.155 4.165 4.320 0.000 0.000 0.219 124 A C 2.448 179.936 177.584 -0.161 0.000 1.191 124 A CA 2.284 54.253 52.037 -0.112 0.000 0.638 124 A CB -0.804 18.206 19.000 0.017 0.000 0.823 124 A HN 0.793 nan 8.150 nan 0.000 0.451 125 R N -0.761 119.684 120.500 -0.092 0.000 2.081 125 R HA -0.080 4.260 4.340 0.000 0.000 0.235 125 R C 2.494 178.654 176.300 -0.234 0.000 1.131 125 R CA 1.263 57.271 56.100 -0.153 0.000 0.960 125 R CB -0.503 29.666 30.300 -0.219 0.000 0.856 125 R HN 0.537 nan 8.270 nan 0.000 0.436 126 A N 1.114 123.835 122.820 -0.165 0.000 1.933 126 A HA -0.210 4.111 4.320 0.000 0.000 0.218 126 A C 2.043 179.535 177.584 -0.154 0.000 1.175 126 A CA 1.212 53.169 52.037 -0.133 0.000 0.628 126 A CB -0.348 18.594 19.000 -0.097 0.000 0.814 126 A HN 0.338 nan 8.150 nan 0.000 0.444 127 Q N -1.565 118.078 119.800 -0.261 0.000 2.084 127 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 127 Q C 1.872 177.656 176.000 -0.361 0.000 0.978 127 Q CA 1.784 57.371 55.803 -0.360 0.000 0.844 127 Q CB -0.337 28.094 28.738 -0.513 0.000 0.898 127 Q HN 0.844 nan 8.270 nan 0.000 0.426 128 Y N -0.654 119.616 120.300 -0.051 0.000 2.314 128 Y HA -0.148 4.403 4.550 0.001 0.000 0.293 128 Y C 2.188 178.133 175.900 0.075 0.000 1.129 128 Y CA 0.962 59.054 58.100 -0.014 0.000 1.201 128 Y CB -0.373 38.067 38.460 -0.034 0.000 0.999 128 Y HN 0.218 nan 8.280 nan 0.000 0.541 129 H N -0.891 118.193 119.070 0.024 0.000 2.357 129 H HA -0.104 4.452 4.556 0.000 0.000 0.301 129 H C 2.154 177.438 175.328 -0.074 0.000 1.082 129 H CA 1.235 57.274 56.048 -0.014 0.000 1.342 129 H CB -0.647 29.105 29.762 -0.017 0.000 1.389 129 H HN 0.273 nan 8.280 nan 0.000 0.511 130 L N 0.999 122.223 121.223 0.002 0.000 2.046 130 L HA -0.134 4.206 4.340 0.000 0.000 0.208 130 L C 2.150 178.923 176.870 -0.162 0.000 1.077 130 L CA 1.572 56.324 54.840 -0.146 0.000 0.747 130 L CB -0.369 41.542 42.059 -0.248 0.000 0.896 130 L HN 0.015 nan 8.230 nan 0.000 0.432 131 R N -0.905 119.538 120.500 -0.094 0.000 2.127 131 R HA -0.212 4.128 4.340 0.000 0.000 0.238 131 R C 2.299 178.574 176.300 -0.042 0.000 1.134 131 R CA 1.633 57.696 56.100 -0.062 0.000 0.975 131 R CB -0.334 29.979 30.300 0.022 0.000 0.865 131 R HN 0.605 nan 8.270 nan 0.000 0.447 132 Q N -0.074 119.713 119.800 -0.022 0.000 2.083 132 Q HA -0.112 4.229 4.340 0.000 0.000 0.198 132 Q C 1.573 177.539 176.000 -0.057 0.000 0.969 132 Q CA 1.674 57.458 55.803 -0.031 0.000 0.838 132 Q CB 0.144 28.857 28.738 -0.041 0.000 0.900 132 Q HN 0.166 nan 8.270 nan 0.000 0.436 133 T N 1.469 115.968 114.554 -0.092 0.000 2.759 133 T HA -0.112 4.238 4.350 0.000 0.000 0.269 133 T C 1.675 176.310 174.700 -0.108 0.000 1.042 133 T CA 1.151 63.188 62.100 -0.104 0.000 1.140 133 T CB -0.168 68.606 68.868 -0.155 0.000 0.864 133 T HN 0.275 nan 8.240 nan 0.000 0.455 134 L N 0.822 121.946 121.223 -0.165 0.000 2.191 134 L HA -0.086 4.255 4.340 0.000 0.000 0.212 134 L C 2.530 179.330 176.870 -0.117 0.000 1.103 134 L CA 0.638 55.367 54.840 -0.184 0.000 0.769 134 L CB -0.740 41.201 42.059 -0.196 0.000 0.908 134 L HN 0.185 nan 8.230 nan 0.000 0.438 135 V N -0.364 119.516 119.914 -0.057 0.000 2.295 135 V HA -0.318 3.802 4.120 0.000 0.000 0.246 135 V C 2.243 178.344 176.094 0.011 0.000 1.049 135 V CA 1.972 64.257 62.300 -0.024 0.000 1.024 135 V CB -0.631 31.201 31.823 0.014 0.000 0.648 135 V HN 0.331 nan 8.190 nan 0.000 0.447 136 F N 0.354 120.245 119.950 -0.099 0.000 2.216 136 F HA -0.086 4.442 4.527 0.000 0.000 0.300 136 F C 1.877 177.631 175.800 -0.077 0.000 1.085 136 F CA 1.415 59.366 58.000 -0.081 0.000 1.326 136 F CB -0.171 38.778 39.000 -0.086 0.000 1.027 136 F HN 0.041 nan 8.300 nan 0.000 0.497 137 L N -0.377 120.761 121.223 -0.142 0.000 2.554 137 L HA -0.020 4.321 4.340 0.000 0.000 0.226 137 L C 0.464 177.234 176.870 -0.168 0.000 1.137 137 L CA 0.818 55.546 54.840 -0.187 0.000 0.863 137 L CB -0.719 41.228 42.059 -0.188 0.000 0.985 137 L HN 0.070 nan 8.230 nan 0.000 0.451 138 D N 0.381 120.663 120.400 -0.197 0.000 2.723 138 D HA -0.158 4.483 4.640 0.000 0.000 0.236 138 D C -0.471 175.624 176.300 -0.341 0.000 1.138 138 D CA 0.255 54.110 54.000 -0.241 0.000 0.676 138 D CB -0.901 39.798 40.800 -0.168 0.000 1.069 138 D HN -0.048 nan 8.370 nan 0.000 0.430 139 V N 1.744 121.480 119.914 -0.296 0.000 2.617 139 V HA 0.362 4.483 4.120 0.000 0.000 0.298 139 V C 0.552 176.429 176.094 -0.361 0.000 1.048 139 V CA -0.502 61.666 62.300 -0.220 0.000 0.964 139 V CB 1.871 33.669 31.823 -0.042 0.000 1.004 139 V HN 0.244 nan 8.190 nan 0.000 0.466 140 H N 4.658 123.762 119.070 0.055 0.000 2.683 140 H HA 0.345 4.901 4.556 0.000 0.000 0.270 140 H C -2.472 172.889 175.328 0.056 0.000 1.201 140 H CA -1.787 54.287 56.048 0.043 0.000 1.277 140 H CB 1.255 31.038 29.762 0.035 0.000 1.400 140 H HN 0.472 nan 8.280 nan 0.000 0.504 141 P HA 0.159 nan 4.420 nan 0.000 0.281 141 P C 0.342 177.699 177.300 0.095 0.000 1.249 141 P CA -0.576 62.588 63.100 0.107 0.000 0.810 141 P CB 1.876 33.613 31.700 0.062 0.000 1.008 142 L N 2.559 123.833 121.223 0.084 0.000 2.467 142 L HA 0.080 4.420 4.340 0.000 0.000 0.270 142 L C 1.669 178.574 176.870 0.058 0.000 1.205 142 L CA 0.311 55.191 54.840 0.065 0.000 0.828 142 L CB -0.313 41.780 42.059 0.057 0.000 1.101 142 L HN 0.440 nan 8.230 nan 0.000 0.479 143 N N 0.145 118.877 118.700 0.053 0.000 2.414 143 N HA 0.105 4.845 4.740 0.000 0.000 0.177 143 N C -0.665 174.874 175.510 0.049 0.000 1.062 143 N CA 0.305 53.388 53.050 0.055 0.000 0.890 143 N CB 0.517 39.034 38.487 0.050 0.000 1.070 143 N HN 0.473 nan 8.380 nan 0.000 0.454 144 K N 0.748 121.171 120.400 0.040 0.000 2.498 144 K HA 0.356 4.676 4.320 0.000 0.000 0.254 144 K C -2.721 173.896 176.600 0.030 0.000 0.933 144 K CA -1.595 54.712 56.287 0.034 0.000 0.806 144 K CB 2.657 35.174 32.500 0.028 0.000 1.301 144 K HN -0.125 nan 8.250 nan 0.000 0.432 145 P HA 0.227 nan 4.420 nan 0.000 0.279 145 P C -1.032 176.284 177.300 0.028 0.000 1.276 145 P CA -0.481 62.635 63.100 0.026 0.000 0.801 145 P CB 0.945 32.657 31.700 0.021 0.000 1.127 146 E N -0.689 119.527 120.200 0.027 0.000 2.202 146 E HA 0.455 4.805 4.350 0.000 0.000 0.272 146 E C -1.032 175.577 176.600 0.016 0.000 0.951 146 E CA -1.020 55.392 56.400 0.020 0.000 0.813 146 E CB 1.851 31.568 29.700 0.028 0.000 1.151 146 E HN 0.089 nan 8.360 nan 0.000 0.398 147 V N 3.967 123.887 119.914 0.009 0.000 2.380 147 V HA 0.335 4.455 4.120 0.000 0.000 0.286 147 V C -0.575 175.526 176.094 0.011 0.000 1.015 147 V CA -0.395 61.914 62.300 0.015 0.000 0.834 147 V CB 0.878 32.716 31.823 0.025 0.000 1.009 147 V HN 0.676 nan 8.190 nan 0.000 0.428 148 M N 6.142 125.751 119.600 0.015 0.000 2.007 148 M HA 0.539 5.020 4.480 0.000 0.000 0.285 148 M C -0.869 175.448 176.300 0.029 0.000 0.893 148 M CA -0.091 55.221 55.300 0.021 0.000 0.925 148 M CB 1.825 34.440 32.600 0.026 0.000 1.568 148 M HN 0.418 nan 8.290 nan 0.000 0.414 149 I N 2.864 123.453 120.570 0.032 0.000 2.322 149 I HA 0.193 4.363 4.170 0.000 0.000 0.292 149 I C 0.576 176.697 176.117 0.007 0.000 1.060 149 I CA -0.161 61.148 61.300 0.015 0.000 1.309 149 I CB 0.583 38.601 38.000 0.031 0.000 1.415 149 I HN 0.615 nan 8.210 nan 0.000 0.492 150 S N 2.953 118.648 115.700 -0.009 0.000 2.713 150 S HA 0.391 4.862 4.470 0.000 0.000 0.283 150 S C 0.581 175.145 174.600 -0.061 0.000 1.161 150 S CA -0.687 57.500 58.200 -0.022 0.000 0.999 150 S CB 1.581 64.773 63.200 -0.013 0.000 1.039 150 S HN 0.633 nan 8.310 nan 0.000 0.548 151 S N -0.190 115.468 115.700 -0.071 0.000 3.549 151 S HA -0.210 4.260 4.470 0.000 0.000 0.366 151 S C 1.267 175.781 174.600 -0.143 0.000 1.012 151 S CA 0.458 58.606 58.200 -0.086 0.000 1.141 151 S CB -1.978 61.184 63.200 -0.064 0.000 0.910 151 S HN 1.305 nan 8.310 nan 0.000 0.471 152 A N 1.051 123.725 122.820 -0.244 0.000 2.084 152 A HA -0.237 4.084 4.320 0.000 0.000 0.221 152 A C 2.262 179.537 177.584 -0.515 0.000 1.161 152 A CA 1.688 53.472 52.037 -0.422 0.000 0.653 152 A CB -0.373 18.186 19.000 -0.734 0.000 0.802 152 A HN 0.874 nan 8.150 nan 0.000 0.457 153 Q N -0.220 119.352 119.800 -0.381 0.000 2.291 153 Q HA -0.149 4.192 4.340 0.000 0.000 0.206 153 Q C 0.403 176.421 176.000 0.030 0.000 0.976 153 Q CA 1.566 57.335 55.803 -0.056 0.000 0.875 153 Q CB -0.531 28.251 28.738 0.073 0.000 0.927 153 Q HN 0.682 nan 8.270 nan 0.000 0.450 154 N N 0.101 118.784 118.700 -0.027 0.000 2.205 154 N HA 0.216 4.956 4.740 0.000 0.000 0.201 154 N C 0.972 176.454 175.510 -0.047 0.000 1.128 154 N CA 0.704 53.747 53.050 -0.012 0.000 0.867 154 N CB 0.788 39.259 38.487 -0.028 0.000 0.996 154 N HN 0.358 nan 8.380 nan 0.000 0.503 155 A N 0.022 122.794 122.820 -0.080 0.000 2.081 155 A HA 0.259 4.580 4.320 0.000 0.000 0.214 155 A C 0.262 177.588 177.584 -0.430 0.000 1.158 155 A CA 0.575 52.446 52.037 -0.276 0.000 0.724 155 A CB 0.063 18.828 19.000 -0.391 0.000 0.826 155 A HN 0.066 nan 8.150 nan 0.000 0.463 156 F N 0.211 120.160 119.950 -0.002 0.000 2.561 156 F HA 0.414 4.941 4.527 -0.000 0.000 0.321 156 F C 0.518 176.349 175.800 0.050 0.000 1.065 156 F CA -1.320 56.707 58.000 0.046 0.000 0.934 156 F CB 1.315 40.380 39.000 0.107 0.000 1.215 156 F HN 0.250 nan 8.300 nan 0.000 0.471 157 D N 0.848 121.389 120.400 0.236 0.000 2.424 157 D HA 0.493 5.133 4.640 0.000 0.000 0.239 157 D C -0.241 176.143 176.300 0.140 0.000 1.246 157 D CA -0.493 53.593 54.000 0.143 0.000 1.129 157 D CB -0.150 40.702 40.800 0.088 0.000 1.199 157 D HN 0.562 nan 8.370 nan 0.000 0.584 158 A N -0.752 122.125 122.820 0.094 0.000 2.498 158 A HA 0.185 4.505 4.320 0.000 0.000 0.239 158 A C 1.069 178.701 177.584 0.078 0.000 1.068 158 A CA 0.961 53.041 52.037 0.072 0.000 0.766 158 A CB 0.023 19.053 19.000 0.050 0.000 1.003 158 A HN 0.777 nan 8.150 nan 0.000 0.497 159 Q N 0.591 120.423 119.800 0.053 0.000 1.980 159 Q HA -0.291 4.049 4.340 0.000 0.000 0.328 159 Q C 0.750 176.779 176.000 0.049 0.000 1.949 159 Q CA 2.569 58.395 55.803 0.038 0.000 0.868 159 Q CB -1.632 27.131 28.738 0.041 0.000 1.785 159 Q HN 1.904 nan 8.270 nan 0.000 0.713 160 G N 0.449 109.313 108.800 0.106 0.000 5.648 160 G HA2 0.323 4.283 3.960 0.000 0.000 0.192 160 G HA3 0.323 4.283 3.960 0.000 0.000 0.192 160 G C -0.971 174.161 174.900 0.386 0.000 0.694 160 G CA -0.125 45.083 45.100 0.180 0.000 0.654 160 G HN 0.179 nan 8.290 nan 0.000 0.324 161 R N 0.172 120.849 120.500 0.294 0.000 2.539 161 R HA 0.473 4.813 4.340 0.000 0.000 0.275 161 R C -0.233 176.151 176.300 0.140 0.000 1.077 161 R CA -0.346 55.873 56.100 0.198 0.000 1.097 161 R CB 1.439 31.799 30.300 0.099 0.000 1.018 161 R HN 0.134 nan 8.270 nan 0.000 0.483 162 L N 3.722 124.927 121.223 -0.030 0.000 2.290 162 L HA 0.143 4.483 4.340 0.000 0.000 0.284 162 L C 1.067 177.819 176.870 -0.196 0.000 1.078 162 L CA -0.078 54.577 54.840 -0.309 0.000 0.815 162 L CB 0.949 42.850 42.059 -0.264 0.000 1.162 162 L HN 0.594 nan 8.230 nan 0.000 0.435 163 L N 1.584 122.666 121.223 -0.236 0.000 2.477 163 L HA 0.121 4.461 4.340 0.000 0.000 0.220 163 L C 0.711 177.501 176.870 -0.132 0.000 1.106 163 L CA 0.202 54.962 54.840 -0.134 0.000 0.851 163 L CB 0.042 42.040 42.059 -0.101 0.000 0.994 163 L HN 0.600 nan 8.230 nan 0.000 0.462 164 D N 0.858 121.145 120.400 -0.188 0.000 2.422 164 D HA -0.011 4.629 4.640 0.000 0.000 0.227 164 D C 0.302 176.537 176.300 -0.109 0.000 1.190 164 D CA 0.019 53.934 54.000 -0.142 0.000 0.905 164 D CB 0.952 41.650 40.800 -0.170 0.000 1.034 164 D HN 0.103 nan 8.370 nan 0.000 0.507 165 D N 2.776 123.131 120.400 -0.073 0.000 2.219 165 D HA -0.160 4.480 4.640 0.000 0.000 0.205 165 D C 1.676 177.951 176.300 -0.042 0.000 0.970 165 D CA 0.607 54.576 54.000 -0.052 0.000 0.851 165 D CB 0.397 41.175 40.800 -0.037 0.000 0.943 165 D HN 0.505 nan 8.370 nan 0.000 0.488 166 K N 1.093 121.467 120.400 -0.043 0.000 2.057 166 K HA -0.116 4.204 4.320 0.000 0.000 0.207 166 K C 2.040 178.621 176.600 -0.031 0.000 1.049 166 K CA 1.209 57.478 56.287 -0.031 0.000 0.931 166 K CB 0.013 32.496 32.500 -0.029 0.000 0.714 166 K HN -0.020 nan 8.250 nan 0.000 0.440 167 A N 1.638 124.428 122.820 -0.049 0.000 1.902 167 A HA -0.155 4.165 4.320 0.000 0.000 0.217 167 A C 2.103 179.668 177.584 -0.033 0.000 1.181 167 A CA 1.382 53.392 52.037 -0.046 0.000 0.623 167 A CB -0.446 18.504 19.000 -0.083 0.000 0.818 167 A HN 0.359 nan 8.150 nan 0.000 0.443 168 R N -0.276 120.198 120.500 -0.043 0.000 2.096 168 R HA -0.137 4.204 4.340 0.000 0.000 0.235 168 R C 2.111 178.405 176.300 -0.010 0.000 1.127 168 R CA 1.598 57.684 56.100 -0.025 0.000 0.968 168 R CB -0.335 29.947 30.300 -0.031 0.000 0.861 168 R HN 0.690 nan 8.270 nan 0.000 0.440 169 E N 0.725 120.918 120.200 -0.013 0.000 2.047 169 E HA -0.161 4.189 4.350 0.000 0.000 0.191 169 E C 2.096 178.697 176.600 0.001 0.000 0.987 169 E CA 1.013 57.410 56.400 -0.005 0.000 0.799 169 E CB -0.097 29.599 29.700 -0.007 0.000 0.752 169 E HN 0.277 nan 8.360 nan 0.000 0.449 170 L N 0.744 121.967 121.223 0.000 0.000 2.046 170 L HA -0.188 4.152 4.340 0.000 0.000 0.208 170 L C 2.481 179.359 176.870 0.014 0.000 1.077 170 L CA 0.940 55.785 54.840 0.007 0.000 0.747 170 L CB -0.377 41.686 42.059 0.007 0.000 0.896 170 L HN 0.169 nan 8.230 nan 0.000 0.432 171 I N -0.522 120.057 120.570 0.014 0.000 2.226 171 I HA -0.324 3.846 4.170 0.000 0.000 0.245 171 I C 2.712 178.841 176.117 0.021 0.000 1.100 171 I CA 1.277 62.591 61.300 0.024 0.000 1.374 171 I CB -0.276 37.741 38.000 0.028 0.000 1.057 171 I HN 0.387 nan 8.210 nan 0.000 0.413 172 Q N 0.739 120.548 119.800 0.015 0.000 2.124 172 Q HA -0.262 4.078 4.340 0.000 0.000 0.202 172 Q C 2.207 178.215 176.000 0.014 0.000 0.977 172 Q CA 1.565 57.377 55.803 0.014 0.000 0.850 172 Q CB 0.061 28.804 28.738 0.009 0.000 0.901 172 Q HN 0.561 nan 8.270 nan 0.000 0.429 173 Q N -0.302 119.506 119.800 0.014 0.000 2.079 173 Q HA -0.193 4.148 4.340 0.000 0.000 0.200 173 Q C 2.161 178.173 176.000 0.019 0.000 0.974 173 Q CA 1.434 57.245 55.803 0.015 0.000 0.840 173 Q CB 0.008 28.755 28.738 0.014 0.000 0.898 173 Q HN 0.488 nan 8.270 nan 0.000 0.430 174 Q N 0.424 120.238 119.800 0.024 0.000 2.050 174 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 174 Q C 2.207 178.224 176.000 0.029 0.000 0.980 174 Q CA 1.114 56.935 55.803 0.030 0.000 0.840 174 Q CB -0.140 28.620 28.738 0.036 0.000 0.898 174 Q HN 0.389 nan 8.270 nan 0.000 0.424 175 L N 0.457 121.696 121.223 0.026 0.000 2.083 175 L HA -0.226 4.114 4.340 0.000 0.000 0.209 175 L C 2.402 179.284 176.870 0.019 0.000 1.083 175 L CA 1.194 56.047 54.840 0.023 0.000 0.752 175 L CB -0.400 41.671 42.059 0.020 0.000 0.899 175 L HN 0.280 nan 8.230 nan 0.000 0.433 176 Q N -0.372 119.438 119.800 0.017 0.000 2.224 176 Q HA -0.124 4.217 4.340 0.000 0.000 0.203 176 Q C 2.412 178.422 176.000 0.015 0.000 0.970 176 Q CA 1.266 57.077 55.803 0.014 0.000 0.865 176 Q CB -0.111 28.634 28.738 0.012 0.000 0.922 176 Q HN 0.571 nan 8.270 nan 0.000 0.445 177 A N 0.763 123.595 122.820 0.019 0.000 1.897 177 A HA -0.091 4.229 4.320 0.000 0.000 0.215 177 A C 2.022 179.620 177.584 0.023 0.000 1.181 177 A CA 0.725 52.774 52.037 0.021 0.000 0.620 177 A CB -0.509 18.506 19.000 0.025 0.000 0.821 177 A HN 0.254 nan 8.150 nan 0.000 0.443 178 L N -0.633 120.606 121.223 0.027 0.000 2.083 178 L HA -0.262 4.078 4.340 0.000 0.000 0.209 178 L C 2.899 179.781 176.870 0.021 0.000 1.083 178 L CA 1.861 56.719 54.840 0.029 0.000 0.752 178 L CB -0.532 41.545 42.059 0.031 0.000 0.899 178 L HN 0.615 nan 8.230 nan 0.000 0.433 179 Q N 0.411 120.221 119.800 0.017 0.000 2.061 179 Q HA -0.158 4.182 4.340 0.000 0.000 0.204 179 Q C 1.244 177.250 176.000 0.010 0.000 0.984 179 Q CA 1.050 56.860 55.803 0.012 0.000 0.846 179 Q CB 0.010 28.754 28.738 0.010 0.000 0.902 179 Q HN 0.394 nan 8.270 nan 0.000 0.421 180 L N 0.000 121.229 121.223 0.011 0.000 2.949 180 L HA 0.000 4.340 4.340 0.000 0.000 0.249 180 L CA 0.000 54.845 54.840 0.008 0.000 0.813 180 L CB 0.000 42.064 42.059 0.008 0.000 0.961 180 L HN 0.000 nan 8.230 nan 0.000 0.502