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 1hgi_1_A DATA FIRST_RESID 1 DATA SEQUENCE QDLPGNDNST ATLCLGHHAV PNGTLVKTIT DDQIEVTNAT ELVQSSSTGK DATA SEQUENCE IcNNPHRILD GIDcTLIDAL LGDPHcDVFQ NETWDLFVER SKAFSNcYPY DATA SEQUENCE DVPDYASLRS LVASSGTLEF ITEGFTWTGV TQNGGSNAcK RGPGSGFFSR DATA SEQUENCE LNWLTKSGST YPVLNVTMPN NDNFDKLYIW GIHHPSTNQE QTSLYVQASG DATA SEQUENCE RVTVSTRRSQ QTIIPNIGSR PWVRGLSSRI SIYWTIVKPG DVLVINSNGN DATA SEQUENCE LIAPRGYFKM RTGKSSIMRS DAPIDTcISE cITPNGSIPN DKPFQNVNKI DATA SEQUENCE TYGAcPKYVK QNTLKLATGM RNVPEKQT 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.000 176.000 0.000 0.000 1.003 1 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 1 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 2 D N 0.372 120.772 120.400 0.000 0.000 2.063 2 D HA 0.254 nan 4.640 nan 0.000 0.289 2 D C 0.032 176.332 176.300 0.000 0.000 1.111 2 D CA 1.121 55.122 54.000 0.000 0.000 1.023 2 D CB 0.464 41.264 40.800 0.000 0.000 1.152 2 D HN 0.238 8.608 8.370 0.000 0.000 0.465 3 L N -4.536 116.687 121.223 0.000 0.000 2.931 3 L HA 0.510 nan 4.340 nan 0.000 0.237 3 L C -2.017 174.853 176.870 0.000 0.000 1.986 3 L CA -1.175 53.665 54.840 0.000 0.000 2.186 3 L CB -0.401 41.658 42.059 0.000 0.000 2.326 3 L HN -0.335 7.895 8.230 0.000 0.000 0.575 4 P HA -0.016 nan 4.420 nan 0.000 0.264 4 P C -0.678 176.622 177.300 0.000 0.000 1.537 4 P CA -0.316 62.784 63.100 0.000 0.000 1.189 4 P CB -1.772 29.929 31.700 0.000 0.000 1.687 5 G N 3.481 112.281 108.800 0.000 0.000 2.526 5 G HA2 -0.169 nan 3.960 nan 0.000 0.293 5 G HA3 -0.169 nan 3.960 nan 0.000 0.293 5 G C -0.096 174.804 174.900 0.000 0.000 0.882 5 G CA 0.130 45.231 45.100 0.000 0.000 1.656 5 G HN 0.026 8.283 8.290 0.000 0.033 0.474 6 N N 3.361 122.062 118.700 0.000 0.000 2.325 6 N HA -0.164 nan 4.740 nan 0.000 0.182 6 N C 0.041 175.551 175.510 0.000 0.000 1.088 6 N CA -0.019 53.032 53.050 0.000 0.000 0.879 6 N CB 0.536 39.024 38.487 0.000 0.000 0.983 6 N HN -0.044 8.333 8.380 0.000 0.004 0.471 7 D N 0.101 120.501 120.400 0.000 0.000 2.357 7 D HA -0.125 nan 4.640 nan 0.000 0.265 7 D C -0.423 175.877 176.300 0.000 0.000 1.334 7 D CA -0.021 53.979 54.000 0.000 0.000 0.984 7 D CB -0.658 40.142 40.800 0.000 0.000 1.077 7 D HN -0.041 8.329 8.370 0.000 0.000 0.514 8 N N 6.251 124.952 118.700 0.000 0.000 3.254 8 N HA 0.079 nan 4.740 nan 0.000 0.308 8 N C -0.658 174.852 175.510 0.000 0.000 1.281 8 N CA -0.024 53.026 53.050 0.000 0.000 1.212 8 N CB -0.253 38.235 38.487 0.000 0.000 1.478 8 N HN -0.132 8.248 8.380 0.000 0.000 0.548 9 S N 0.904 116.605 115.700 0.000 0.000 2.766 9 S HA 0.382 nan 4.470 nan 0.000 0.307 9 S C -0.478 174.122 174.600 0.000 0.000 1.121 9 S CA -0.427 57.773 58.200 0.000 0.000 0.980 9 S CB 1.618 64.818 63.200 0.000 0.000 1.159 9 S HN -0.508 7.759 8.310 0.000 0.043 0.546 10 T N -4.057 110.497 114.554 0.000 0.000 2.888 10 T HA 0.857 nan 4.350 nan 0.000 0.288 10 T C -1.559 173.141 174.700 0.001 0.000 1.063 10 T CA -1.096 61.005 62.100 0.001 0.000 1.010 10 T CB 1.988 70.856 68.868 0.001 0.000 1.214 10 T HN 0.509 8.749 8.240 0.000 0.000 0.533 11 A N -0.629 122.191 122.820 0.001 0.000 2.532 11 A HA 0.435 nan 4.320 nan 0.000 0.290 11 A C -1.118 176.466 177.584 0.001 0.000 1.143 11 A CA -0.362 51.675 52.037 0.001 0.000 0.728 11 A CB 1.498 20.498 19.000 0.001 0.000 1.317 11 A HN -0.059 8.091 8.150 0.001 0.000 0.414 12 T N 1.740 116.294 114.554 0.000 0.000 2.848 12 T HA 0.266 nan 4.350 nan 0.000 0.285 12 T C -1.218 173.483 174.700 0.001 0.000 0.995 12 T CA 0.216 62.317 62.100 0.001 0.000 0.970 12 T CB 0.967 69.835 68.868 0.000 0.000 0.976 12 T HN -0.113 8.127 8.240 0.000 0.000 0.441 13 L N 4.778 126.002 121.223 0.001 0.000 2.385 13 L HA 0.346 nan 4.340 nan 0.000 0.273 13 L C -0.766 176.105 176.870 0.002 0.000 0.990 13 L CA -0.005 54.836 54.840 0.001 0.000 0.821 13 L CB 1.687 43.747 42.059 0.002 0.000 1.279 13 L HN 0.088 8.319 8.230 0.002 0.000 0.412 14 C N 4.052 123.352 119.300 0.001 0.000 2.441 14 C HA 0.320 nan 4.460 nan 0.000 0.318 14 C C -0.532 174.460 174.990 0.003 0.000 1.222 14 C CA -0.731 58.288 59.018 0.002 0.000 1.474 14 C CB 1.189 28.927 27.740 -0.002 0.000 2.125 14 C HN 0.196 8.426 8.230 0.000 0.000 0.479 15 L N 2.852 124.081 121.223 0.010 0.000 2.360 15 L HA 0.316 nan 4.340 nan 0.000 0.271 15 L C 0.372 177.254 176.870 0.021 0.000 1.057 15 L CA 0.252 55.102 54.840 0.017 0.000 0.803 15 L CB 0.939 43.012 42.059 0.024 0.000 1.207 15 L HN 0.381 8.619 8.230 0.012 0.000 0.445 16 G N -0.224 108.592 108.800 0.026 0.000 2.554 16 G HA2 0.099 nan 3.960 nan 0.000 0.306 16 G HA3 0.099 nan 3.960 nan 0.000 0.306 16 G C -2.170 172.765 174.900 0.058 0.000 1.320 16 G CA -0.177 44.925 45.100 0.004 0.000 0.800 16 G HN 0.125 8.432 8.290 0.029 0.000 0.481 17 H N -2.541 116.550 119.070 0.035 0.000 2.985 17 H HA 0.416 nan 4.556 nan 0.000 0.360 17 H C -1.297 174.109 175.328 0.130 0.000 1.221 17 H CA -0.798 55.280 56.048 0.051 0.000 1.121 17 H CB 0.851 30.646 29.762 0.055 0.000 1.854 17 H HN 0.418 8.433 8.280 -0.443 0.000 0.551 18 H N 0.620 119.757 119.070 0.112 0.000 2.598 18 H HA 0.122 nan 4.556 nan 0.000 0.371 18 H C -1.658 173.723 175.328 0.088 0.000 1.468 18 H CA -0.660 55.418 56.048 0.050 0.000 1.454 18 H CB 0.627 30.421 29.762 0.053 0.000 1.579 18 H HN 0.354 8.799 8.280 0.275 0.000 0.611 19 A N -2.385 120.391 122.820 -0.073 0.000 2.605 19 A HA 0.183 nan 4.320 nan 0.000 0.294 19 A C -2.276 175.196 177.584 -0.188 0.000 1.062 19 A CA -0.490 51.473 52.037 -0.124 0.000 0.682 19 A CB 2.437 21.416 19.000 -0.034 0.000 1.278 19 A HN -0.022 8.083 8.150 -0.074 0.000 0.410 20 V N -3.747 116.071 119.914 -0.161 0.000 2.960 20 V HA 0.559 nan 4.120 nan 0.000 0.315 20 V C -2.318 173.737 176.094 -0.065 0.000 1.087 20 V CA -3.257 58.971 62.300 -0.120 0.000 0.982 20 V CB 2.542 34.286 31.823 -0.131 0.000 1.039 20 V HN 0.670 9.190 8.190 -0.126 -0.405 0.437 21 P HA 0.005 nan 4.420 nan 0.000 0.218 21 P C -0.885 176.400 177.300 -0.024 0.000 1.152 21 P CA 1.787 64.870 63.100 -0.029 0.000 0.826 21 P CB 0.301 31.988 31.700 -0.022 0.000 0.790 22 N N -0.817 117.867 118.700 -0.026 0.000 2.060 22 N HA -0.107 nan 4.740 nan 0.000 0.216 22 N C 0.176 175.674 175.510 -0.021 0.000 1.047 22 N CA 0.347 53.385 53.050 -0.020 0.000 1.062 22 N CB 0.276 38.753 38.487 -0.017 0.000 1.341 22 N HN -0.287 8.041 8.380 -0.033 0.033 0.550 23 G N 0.609 109.396 108.800 -0.022 0.000 2.712 23 G HA2 -0.232 nan 3.960 nan 0.000 0.686 23 G HA3 -0.232 nan 3.960 nan 0.000 0.686 23 G C -1.439 173.455 174.900 -0.009 0.000 1.181 23 G CA -0.410 44.678 45.100 -0.019 0.000 0.762 23 G HN -0.098 8.180 8.290 -0.021 0.000 0.641 24 T N 2.235 116.786 114.554 -0.005 0.000 2.893 24 T HA 0.375 nan 4.350 nan 0.000 0.291 24 T C -0.759 173.941 174.700 0.001 0.000 1.028 24 T CA -0.888 61.212 62.100 -0.001 0.000 0.995 24 T CB 2.925 71.795 68.868 0.002 0.000 1.051 24 T HN 0.405 8.642 8.240 -0.005 0.000 0.470 25 L N 4.795 126.018 121.223 0.001 0.000 2.290 25 L HA 0.760 nan 4.340 nan 0.000 0.284 25 L C -0.788 176.082 176.870 0.001 0.000 1.078 25 L CA -0.104 54.736 54.840 0.001 0.000 0.815 25 L CB 0.785 42.843 42.059 -0.001 0.000 1.162 25 L HN 0.263 8.493 8.230 0.000 0.000 0.435 26 V N -2.744 117.171 119.914 0.002 0.000 3.001 26 V HA 0.655 nan 4.120 nan 0.000 0.314 26 V C -1.590 174.504 176.094 -0.000 0.000 1.099 26 V CA -3.778 58.523 62.300 0.002 0.000 0.989 26 V CB 2.948 34.774 31.823 0.006 0.000 1.040 26 V HN 0.803 8.889 8.190 0.002 0.105 0.434 27 K N 1.045 121.443 120.400 -0.002 0.000 2.098 27 K HA 0.638 nan 4.320 nan 0.000 0.257 27 K C -0.282 176.316 176.600 -0.003 0.000 0.999 27 K CA -0.014 56.270 56.287 -0.005 0.000 0.924 27 K CB 1.329 33.823 32.500 -0.010 0.000 1.028 27 K HN 0.349 8.598 8.250 -0.001 0.000 0.466 28 T N 0.635 115.186 114.554 -0.005 0.000 2.696 28 T HA 0.303 nan 4.350 nan 0.000 0.291 28 T C -0.330 174.367 174.700 -0.005 0.000 1.095 28 T CA -0.886 61.212 62.100 -0.003 0.000 1.026 28 T CB 1.945 70.812 68.868 -0.002 0.000 1.390 28 T HN 0.241 8.477 8.240 -0.006 0.000 0.513 29 I N 1.069 121.637 120.570 -0.004 0.000 2.233 29 I HA -0.059 nan 4.170 nan 0.000 0.243 29 I C 1.475 177.589 176.117 -0.005 0.000 1.093 29 I CA 2.072 63.369 61.300 -0.005 0.000 1.380 29 I CB -0.681 37.317 38.000 -0.003 0.000 1.067 29 I HN 0.252 8.460 8.210 -0.003 0.000 0.413 30 T N -4.997 109.555 114.554 -0.004 0.000 3.051 30 T HA 0.059 nan 4.350 nan 0.000 0.255 30 T C -0.481 174.216 174.700 -0.004 0.000 1.085 30 T CA 0.730 62.828 62.100 -0.004 0.000 1.109 30 T CB 0.100 68.966 68.868 -0.003 0.000 0.921 30 T HN -0.116 8.122 8.240 -0.003 0.000 0.488 31 D N 0.030 120.428 120.400 -0.004 0.000 2.477 31 D HA 0.239 nan 4.640 nan 0.000 0.234 31 D C -0.927 175.370 176.300 -0.005 0.000 1.048 31 D CA -1.135 52.863 54.000 -0.004 0.000 0.959 31 D CB 3.014 43.813 40.800 -0.002 0.000 1.408 31 D HN -0.530 7.838 8.370 -0.004 0.000 0.496 32 D N -2.290 118.107 120.400 -0.005 0.000 2.500 32 D HA 0.087 nan 4.640 nan 0.000 0.217 32 D C -0.856 175.441 176.300 -0.006 0.000 1.159 32 D CA 0.129 54.125 54.000 -0.007 0.000 0.828 32 D CB 1.212 42.007 40.800 -0.009 0.000 1.039 32 D HN 0.089 8.456 8.370 -0.005 0.000 0.512 33 Q N -0.548 119.250 119.800 -0.004 0.000 2.294 33 Q HA 0.359 nan 4.340 nan 0.000 0.264 33 Q C -1.944 174.055 176.000 -0.001 0.000 0.992 33 Q CA -0.752 55.049 55.803 -0.003 0.000 0.747 33 Q CB 3.325 32.062 28.738 -0.003 0.000 1.262 33 Q HN -0.361 7.907 8.270 -0.003 0.000 0.452 34 I N 2.827 123.397 120.570 -0.000 0.000 2.582 34 I HA 0.277 nan 4.170 nan 0.000 0.292 34 I C -2.636 173.482 176.117 0.002 0.000 1.066 34 I CA -1.638 59.662 61.300 0.001 0.000 1.053 34 I CB 4.152 42.152 38.000 0.000 0.000 1.241 34 I HN 0.647 8.857 8.210 -0.001 0.000 0.421 35 E N 7.384 127.585 120.200 0.003 0.000 2.200 35 E HA 0.597 nan 4.350 nan 0.000 0.283 35 E C -1.179 175.424 176.600 0.004 0.000 1.015 35 E CA -0.849 55.552 56.400 0.002 0.000 0.819 35 E CB 1.694 31.395 29.700 0.001 0.000 1.081 35 E HN 0.117 8.479 8.360 0.003 0.000 0.397 36 V N 1.194 121.110 119.914 0.004 0.000 2.994 36 V HA 0.768 nan 4.120 nan 0.000 0.318 36 V C 0.226 176.320 176.094 0.001 0.000 1.085 36 V CA -3.040 59.265 62.300 0.007 0.000 0.998 36 V CB 2.024 33.854 31.823 0.012 0.000 1.063 36 V HN 0.745 8.833 8.190 0.003 0.104 0.447 37 T N 3.556 118.112 114.554 0.003 0.000 2.759 37 T HA -0.265 nan 4.350 nan 0.000 0.269 37 T C -0.204 174.492 174.700 -0.008 0.000 1.042 37 T CA 4.629 66.714 62.100 -0.025 0.000 1.140 37 T CB 0.054 68.919 68.868 -0.004 0.000 0.864 37 T HN 0.720 8.973 8.240 0.021 0.000 0.455 38 N N -2.761 115.949 118.700 0.016 0.000 2.745 38 N HA 0.092 nan 4.740 nan 0.000 0.256 38 N C -2.548 172.974 175.510 0.020 0.000 1.268 38 N CA -0.191 52.870 53.050 0.018 0.000 0.887 38 N CB 3.036 41.542 38.487 0.032 0.000 1.575 38 N HN -0.440 7.929 8.380 0.023 0.024 0.496 39 A N -0.075 122.755 122.820 0.017 0.000 2.583 39 A HA 0.617 nan 4.320 nan 0.000 0.289 39 A C -2.269 175.326 177.584 0.017 0.000 1.151 39 A CA -0.531 51.517 52.037 0.017 0.000 0.695 39 A CB 3.325 22.334 19.000 0.015 0.000 1.290 39 A HN -0.002 8.157 8.150 0.015 0.000 0.419 40 T N -1.166 113.399 114.554 0.019 0.000 2.909 40 T HA 0.294 nan 4.350 nan 0.000 0.299 40 T C -2.786 171.928 174.700 0.024 0.000 1.073 40 T CA -0.988 61.123 62.100 0.019 0.000 0.999 40 T CB 2.181 71.059 68.868 0.016 0.000 1.098 40 T HN 0.439 8.691 8.240 0.021 0.000 0.477 41 E N 5.550 125.765 120.200 0.024 0.000 2.259 41 E HA 0.405 nan 4.350 nan 0.000 0.281 41 E C -0.932 175.693 176.600 0.042 0.000 1.027 41 E CA -0.676 55.743 56.400 0.032 0.000 0.838 41 E CB 0.557 30.273 29.700 0.026 0.000 1.066 41 E HN 0.265 8.637 8.360 0.019 0.000 0.401 42 L N 4.416 125.684 121.223 0.074 0.000 2.664 42 L HA 0.262 nan 4.340 nan 0.000 0.233 42 L C -1.073 175.887 176.870 0.150 0.000 1.113 42 L CA -0.018 54.884 54.840 0.105 0.000 0.896 42 L CB 1.200 43.371 42.059 0.188 0.000 1.163 42 L HN 0.551 8.827 8.230 0.077 0.000 0.497 43 V N -0.531 119.453 119.914 0.118 0.000 2.333 43 V HA 0.138 nan 4.120 nan 0.000 0.274 43 V C -1.246 174.884 176.094 0.059 0.000 1.028 43 V CA -1.701 60.664 62.300 0.109 0.000 0.851 43 V CB -0.302 31.555 31.823 0.057 0.000 1.000 43 V HN -0.451 8.096 8.190 0.082 -0.307 0.456 44 Q N 8.262 128.096 119.800 0.056 0.000 2.286 44 Q HA 0.021 nan 4.340 nan 0.000 0.267 44 Q C -0.184 175.842 176.000 0.043 0.000 1.028 44 Q CA -0.359 55.469 55.803 0.042 0.000 0.901 44 Q CB 0.564 29.327 28.738 0.041 0.000 1.183 44 Q HN 0.624 8.834 8.270 0.069 0.101 0.392 45 S N 4.819 120.541 115.700 0.037 0.000 2.749 45 S HA 0.161 nan 4.470 nan 0.000 0.246 45 S C -1.145 173.479 174.600 0.040 0.000 1.023 45 S CA -0.767 57.455 58.200 0.037 0.000 1.012 45 S CB 0.419 63.634 63.200 0.025 0.000 0.942 45 S HN 0.243 8.572 8.310 0.032 0.000 0.531 46 S N 0.094 115.818 115.700 0.039 0.000 2.540 46 S HA 0.241 nan 4.470 nan 0.000 0.275 46 S C -1.378 173.245 174.600 0.039 0.000 1.123 46 S CA -0.568 57.654 58.200 0.036 0.000 0.907 46 S CB 2.043 65.260 63.200 0.028 0.000 1.081 46 S HN -0.685 7.648 8.310 0.038 0.000 0.476 47 S N 1.606 117.329 115.700 0.038 0.000 2.690 47 S HA 0.341 nan 4.470 nan 0.000 0.291 47 S C 1.431 176.050 174.600 0.031 0.000 1.138 47 S CA -1.328 56.895 58.200 0.038 0.000 1.013 47 S CB 1.813 65.037 63.200 0.040 0.000 1.053 47 S HN -0.181 8.151 8.310 0.036 0.000 0.539 48 T N 0.182 114.754 114.554 0.030 0.000 2.995 48 T HA 0.095 nan 4.350 nan 0.000 0.269 48 T C 1.392 176.105 174.700 0.023 0.000 1.091 48 T CA 0.229 62.344 62.100 0.025 0.000 1.128 48 T CB 0.403 69.286 68.868 0.025 0.000 0.891 48 T HN 0.147 8.407 8.240 0.034 0.000 0.492 49 G N 2.156 110.971 108.800 0.024 0.000 2.175 49 G HA2 -0.397 nan 3.960 nan 0.000 0.244 49 G HA3 -0.397 nan 3.960 nan 0.000 0.244 49 G C -1.321 173.590 174.900 0.018 0.000 0.982 49 G CA -0.168 44.945 45.100 0.021 0.000 0.641 49 G HN -0.149 8.126 8.290 0.028 0.033 0.527 50 K N -0.592 119.820 120.400 0.021 0.000 2.422 50 K HA 0.329 nan 4.320 nan 0.000 0.251 50 K C -1.344 175.270 176.600 0.023 0.000 0.933 50 K CA -1.483 54.815 56.287 0.018 0.000 0.798 50 K CB 3.428 35.937 32.500 0.016 0.000 1.238 50 K HN -0.503 7.704 8.250 0.024 0.057 0.428 51 I N 3.850 124.432 120.570 0.019 0.000 2.322 51 I HA 0.055 nan 4.170 nan 0.000 0.292 51 I C -0.716 175.420 176.117 0.031 0.000 1.060 51 I CA -0.728 60.587 61.300 0.026 0.000 1.309 51 I CB 0.151 38.157 38.000 0.011 0.000 1.415 51 I HN 0.680 8.792 8.210 0.012 0.106 0.492 52 c N 9.432 128.058 118.600 0.044 0.000 2.653 52 c HA -0.158 nan 4.570 nan 0.000 0.421 52 c C 0.423 174.542 174.090 0.049 0.000 1.334 52 c CA 0.700 57.054 56.329 0.042 0.000 1.885 52 c CB -1.177 41.360 42.510 0.045 0.000 2.645 52 c HN 0.160 8.422 8.230 0.053 0.000 0.601 53 N N 3.101 121.821 118.700 0.034 0.000 2.362 53 N HA -0.214 nan 4.740 nan 0.000 0.211 53 N C -0.793 174.738 175.510 0.036 0.000 1.170 53 N CA -0.280 52.791 53.050 0.035 0.000 0.828 53 N CB 0.204 38.703 38.487 0.020 0.000 1.034 53 N HN 0.560 8.955 8.380 0.025 0.000 0.475 54 N N -1.644 117.076 118.700 0.033 0.000 2.446 54 N HA 0.273 nan 4.740 nan 0.000 0.272 54 N C -2.353 173.139 175.510 -0.029 0.000 1.127 54 N CA -1.563 51.488 53.050 0.001 0.000 0.896 54 N CB 3.450 41.935 38.487 -0.003 0.000 1.658 54 N HN -0.865 7.435 8.380 0.044 0.107 0.483 55 P HA -0.014 nan 4.420 nan 0.000 0.241 55 P C -0.870 176.308 177.300 -0.202 0.000 1.191 55 P CA 0.921 63.906 63.100 -0.192 0.000 0.771 55 P CB 0.271 31.819 31.700 -0.253 0.000 0.929 56 H N -1.838 117.284 119.070 0.087 0.000 2.495 56 H HA 0.186 nan 4.556 nan 0.000 0.350 56 H C -0.894 174.473 175.328 0.065 0.000 1.202 56 H CA -1.125 54.987 56.048 0.107 0.000 1.322 56 H CB 1.523 31.395 29.762 0.184 0.000 1.544 56 H HN -0.169 8.047 8.280 -0.018 0.053 0.565 57 R N 2.718 123.332 120.500 0.189 0.000 2.308 57 R HA 0.069 nan 4.340 nan 0.000 0.325 57 R C -0.785 175.584 176.300 0.115 0.000 1.161 57 R CA -0.696 55.479 56.100 0.125 0.000 1.022 57 R CB -0.402 29.967 30.300 0.115 0.000 1.091 57 R HN 0.169 8.932 8.270 0.223 -0.359 0.497 58 I N 5.868 126.481 120.570 0.071 0.000 2.416 58 I HA 0.126 nan 4.170 nan 0.000 0.288 58 I C -0.803 175.314 176.117 0.000 0.000 1.051 58 I CA -1.939 59.371 61.300 0.016 0.000 1.375 58 I CB -0.710 37.285 38.000 -0.008 0.000 1.407 58 I HN 0.037 8.287 8.210 0.066 0.000 0.516 59 L N 8.911 130.103 121.223 -0.050 0.000 2.265 59 L HA 0.268 nan 4.340 nan 0.000 0.289 59 L C -2.113 174.543 176.870 -0.356 0.000 1.033 59 L CA -1.466 53.297 54.840 -0.128 0.000 0.814 59 L CB 2.650 44.665 42.059 -0.074 0.000 1.203 59 L HN 0.689 8.877 8.230 -0.069 0.000 0.423 60 D N 6.294 126.566 120.400 -0.214 0.000 2.277 60 D HA 0.208 nan 4.640 nan 0.000 0.249 60 D C 0.515 176.653 176.300 -0.270 0.000 1.134 60 D CA -0.683 53.177 54.000 -0.234 0.000 0.863 60 D CB 1.496 42.240 40.800 -0.094 0.000 1.143 60 D HN 0.296 8.605 8.370 -0.102 0.000 0.458 61 G N 4.080 112.581 108.800 -0.499 0.000 2.598 61 G HA2 -0.107 nan 3.960 nan 0.000 0.215 61 G HA3 -0.107 nan 3.960 nan 0.000 0.215 61 G C 0.432 175.298 174.900 -0.056 0.000 1.131 61 G CA 0.151 44.936 45.100 -0.525 0.000 0.785 61 G HN 0.354 8.351 8.290 -0.488 0.000 0.539 62 I N -0.270 120.312 120.570 0.019 0.000 4.907 62 I HA -0.673 nan 4.170 nan 0.000 0.038 62 I C -1.161 175.014 176.117 0.096 0.000 0.635 62 I CA 1.959 63.312 61.300 0.088 0.000 0.208 62 I CB -2.039 36.056 38.000 0.158 0.000 0.321 62 I HN 0.226 8.701 8.210 -0.047 -0.293 0.150 63 D N 0.752 121.245 120.400 0.156 0.000 2.615 63 D HA 0.099 nan 4.640 nan 0.000 0.236 63 D C -0.744 175.592 176.300 0.059 0.000 1.233 63 D CA -1.309 52.791 54.000 0.166 0.000 0.829 63 D CB -0.684 40.318 40.800 0.337 0.000 1.024 63 D HN -0.031 8.460 8.370 0.201 0.000 0.490 64 c N -0.305 118.276 118.600 -0.032 0.000 2.379 64 c HA 0.496 nan 4.570 nan 0.000 0.323 64 c C -0.249 173.759 174.090 -0.136 0.000 1.262 64 c CA -0.711 55.510 56.329 -0.181 0.000 1.581 64 c CB 1.942 44.245 42.510 -0.345 0.000 2.221 64 c HN -0.201 7.824 8.230 -0.011 0.199 0.497 65 T N 0.512 114.999 114.554 -0.111 0.000 2.882 65 T HA 0.299 nan 4.350 nan 0.000 0.287 65 T C 0.856 175.389 174.700 -0.278 0.000 1.014 65 T CA -1.474 60.566 62.100 -0.099 0.000 1.049 65 T CB 1.517 70.368 68.868 -0.029 0.000 1.001 65 T HN 0.363 8.539 8.240 -0.107 0.000 0.525 66 L N 1.779 122.666 121.223 -0.560 0.000 2.042 66 L HA -0.247 nan 4.340 nan 0.000 0.210 66 L C 1.058 177.580 176.870 -0.580 0.000 1.076 66 L CA 3.280 57.530 54.840 -0.984 0.000 0.749 66 L CB 0.005 41.266 42.059 -1.330 0.000 0.893 66 L HN 0.208 8.449 8.230 -0.486 -0.302 0.432 67 I N -2.019 118.299 120.570 -0.420 0.000 2.286 67 I HA -0.520 nan 4.170 nan 0.000 0.248 67 I C 2.041 177.995 176.117 -0.271 0.000 1.115 67 I CA 2.965 64.048 61.300 -0.363 0.000 1.392 67 I CB -1.635 36.176 38.000 -0.315 0.000 1.065 67 I HN -0.069 7.928 8.210 -0.355 0.000 0.418 68 D N -0.011 120.294 120.400 -0.159 0.000 2.144 68 D HA -0.237 nan 4.640 nan 0.000 0.200 68 D C 2.293 178.499 176.300 -0.158 0.000 0.978 68 D CA 3.701 57.633 54.000 -0.115 0.000 0.833 68 D CB -0.331 40.434 40.800 -0.058 0.000 0.961 68 D HN -0.588 7.713 8.370 -0.114 0.000 0.470 69 A N -0.069 122.615 122.820 -0.226 0.000 1.940 69 A HA -0.229 nan 4.320 nan 0.000 0.219 69 A C 1.574 179.098 177.584 -0.099 0.000 1.176 69 A CA 2.998 54.938 52.037 -0.163 0.000 0.631 69 A CB -0.477 18.338 19.000 -0.309 0.000 0.814 69 A HN -0.252 7.728 8.150 -0.283 0.000 0.446 70 L N -2.062 119.032 121.223 -0.215 0.000 2.005 70 L HA -0.222 nan 4.340 nan 0.000 0.207 70 L C 1.451 178.232 176.870 -0.147 0.000 1.072 70 L CA 2.880 57.573 54.840 -0.244 0.000 0.744 70 L CB 0.052 41.829 42.059 -0.470 0.000 0.895 70 L HN -0.356 7.592 8.230 -0.302 0.102 0.433 71 L N -4.619 116.463 121.223 -0.236 0.000 2.083 71 L HA -0.315 nan 4.340 nan 0.000 0.209 71 L C 0.882 177.744 176.870 -0.013 0.000 1.083 71 L CA 2.103 56.793 54.840 -0.250 0.000 0.752 71 L CB 0.576 42.261 42.059 -0.623 0.000 0.899 71 L HN 0.086 8.139 8.230 -0.295 0.000 0.433 72 G N -6.024 102.804 108.800 0.047 0.000 2.455 72 G HA2 -0.406 nan 3.960 nan 0.000 0.169 72 G HA3 -0.406 nan 3.960 nan 0.000 0.169 72 G C -1.390 173.567 174.900 0.095 0.000 1.074 72 G CA -0.831 44.312 45.100 0.072 0.000 0.796 72 G HN 0.062 8.344 8.290 -0.014 0.000 0.489 73 D N 2.119 122.568 120.400 0.081 0.000 2.493 73 D HA 0.081 nan 4.640 nan 0.000 0.240 73 D C -0.201 176.071 176.300 -0.047 0.000 1.142 73 D CA -1.123 52.862 54.000 -0.024 0.000 0.872 73 D CB 0.811 41.599 40.800 -0.020 0.000 1.173 73 D HN -0.563 7.845 8.370 0.063 0.000 0.467 74 P HA -0.304 nan 4.420 nan 0.000 0.217 74 P C 1.114 178.448 177.300 0.056 0.000 1.158 74 P CA 2.664 65.776 63.100 0.020 0.000 0.887 74 P CB -0.022 31.698 31.700 0.033 0.000 0.792 75 H N -4.460 114.614 119.070 0.006 0.000 2.545 75 H HA -0.019 nan 4.556 nan 0.000 0.282 75 H C 0.755 176.106 175.328 0.038 0.000 1.020 75 H CA 2.385 58.445 56.048 0.020 0.000 1.243 75 H CB -0.756 29.011 29.762 0.007 0.000 1.377 75 H HN -0.181 8.467 8.280 0.190 -0.254 0.581 76 c N 0.343 118.781 118.600 -0.271 0.000 2.884 76 c HA 0.284 nan 4.570 nan 0.000 0.287 76 c C 0.403 174.550 174.090 0.096 0.000 1.310 76 c CA -0.957 55.324 56.329 -0.080 0.000 1.725 76 c CB -0.835 41.583 42.510 -0.155 0.000 2.060 76 c HN 0.051 7.964 8.230 -0.219 0.185 0.618 77 D N 2.137 122.552 120.400 0.026 0.000 2.351 77 D HA -0.165 nan 4.640 nan 0.000 0.216 77 D C 1.690 177.986 176.300 -0.006 0.000 0.968 77 D CA 3.454 57.471 54.000 0.029 0.000 0.899 77 D CB -0.347 40.463 40.800 0.017 0.000 0.907 77 D HN 0.078 8.288 8.370 0.006 0.164 0.514 78 V N -1.104 118.757 119.914 -0.088 0.000 2.469 78 V HA -0.301 nan 4.120 nan 0.000 0.251 78 V C 1.678 177.559 176.094 -0.355 0.000 1.064 78 V CA 2.759 64.889 62.300 -0.284 0.000 1.066 78 V CB -0.600 30.902 31.823 -0.535 0.000 0.667 78 V HN -0.258 7.845 8.190 -0.054 0.055 0.461 79 F N -3.806 116.152 119.950 0.013 0.000 2.773 79 F HA 0.114 nan 4.527 nan 0.000 0.304 79 F C -0.024 175.831 175.800 0.093 0.000 1.129 79 F CA -0.021 58.014 58.000 0.058 0.000 1.378 79 F CB -0.501 38.542 39.000 0.071 0.000 1.095 79 F HN -0.324 7.913 8.300 0.132 0.143 0.565 80 Q N 0.011 119.907 119.800 0.159 0.000 2.330 80 Q HA -0.304 nan 4.340 nan 0.000 0.279 80 Q C 0.115 176.208 176.000 0.155 0.000 1.024 80 Q CA 1.493 57.385 55.803 0.149 0.000 0.900 80 Q CB -0.066 28.722 28.738 0.083 0.000 1.221 80 Q HN -0.646 7.602 8.270 0.081 0.072 0.396 81 N N -1.517 117.295 118.700 0.187 0.000 2.713 81 N HA -0.458 nan 4.740 nan 0.000 0.251 81 N C -0.939 174.672 175.510 0.167 0.000 1.117 81 N CA 1.507 54.650 53.050 0.156 0.000 0.770 81 N CB -1.049 37.493 38.487 0.091 0.000 1.137 81 N HN 0.582 9.098 8.380 0.226 0.000 0.566 82 E N -1.829 118.525 120.200 0.256 0.000 2.342 82 E HA 0.196 nan 4.350 nan 0.000 0.257 82 E C -0.955 175.846 176.600 0.335 0.000 1.150 82 E CA -1.268 55.309 56.400 0.294 0.000 0.926 82 E CB 1.979 31.912 29.700 0.389 0.000 1.074 82 E HN -0.484 8.004 8.360 0.302 0.053 0.449 83 T N -5.227 109.517 114.554 0.318 0.000 2.843 83 T HA 0.862 nan 4.350 nan 0.000 0.302 83 T C -1.552 173.327 174.700 0.297 0.000 1.232 83 T CA -1.621 60.536 62.100 0.094 0.000 1.009 83 T CB 2.237 71.070 68.868 -0.058 0.000 1.254 83 T HN -0.169 8.263 8.240 0.319 0.000 0.504 84 W N -2.524 118.827 121.300 0.085 0.000 3.275 84 W HA 0.409 nan 4.660 nan 0.000 0.306 84 W C -1.814 174.735 176.519 0.050 0.000 1.259 84 W CA -0.535 56.851 57.345 0.068 0.000 1.194 84 W CB 1.433 30.957 29.460 0.107 0.000 1.375 84 W HN -0.117 7.653 8.180 -0.683 0.000 0.564 85 D N -0.125 120.396 120.400 0.201 0.000 2.277 85 D HA 0.181 nan 4.640 nan 0.000 0.209 85 D C -0.933 175.422 176.300 0.092 0.000 0.970 85 D CA 2.633 56.719 54.000 0.144 0.000 0.874 85 D CB 2.215 43.131 40.800 0.194 0.000 0.982 85 D HN 0.390 8.776 8.370 0.215 0.113 0.504 86 L N -3.030 118.255 121.223 0.103 0.000 2.476 86 L HA 0.384 nan 4.340 nan 0.000 0.269 86 L C -2.913 173.974 176.870 0.027 0.000 0.965 86 L CA 0.046 54.826 54.840 -0.100 0.000 0.845 86 L CB 3.220 44.979 42.059 -0.499 0.000 1.259 86 L HN -0.585 7.753 8.230 0.180 0.000 0.403 87 F N 8.693 128.466 119.950 -0.295 0.000 2.405 87 F HA 0.509 nan 4.527 nan 0.000 0.355 87 F C -1.938 173.663 175.800 -0.331 0.000 1.121 87 F CA -1.714 55.967 58.000 -0.531 0.000 1.112 87 F CB 2.015 40.363 39.000 -1.086 0.000 1.126 87 F HN 0.183 8.501 8.300 0.031 0.000 0.481 88 V N 8.983 128.721 119.914 -0.293 0.000 2.406 88 V HA 0.199 nan 4.120 nan 0.000 0.272 88 V C -1.344 174.680 176.094 -0.116 0.000 1.043 88 V CA -0.742 61.469 62.300 -0.149 0.000 0.915 88 V CB -0.055 31.674 31.823 -0.157 0.000 0.988 88 V HN 0.699 8.556 8.190 -0.555 0.000 0.466 89 E N 7.787 128.000 120.200 0.022 0.000 2.197 89 E HA 0.412 nan 4.350 nan 0.000 0.281 89 E C -1.304 175.296 176.600 0.000 0.000 0.995 89 E CA -0.793 55.634 56.400 0.044 0.000 0.808 89 E CB 2.359 32.091 29.700 0.053 0.000 1.093 89 E HN 0.692 9.065 8.360 0.021 0.000 0.394 90 R N 2.506 123.006 120.500 0.001 0.000 2.540 90 R HA 0.399 nan 4.340 nan 0.000 0.287 90 R C 1.770 178.085 176.300 0.025 0.000 0.980 90 R CA -2.708 53.397 56.100 0.008 0.000 0.966 90 R CB 1.135 31.444 30.300 0.015 0.000 1.106 90 R HN 0.654 8.927 8.270 0.005 0.000 0.480 91 S N 4.174 119.887 115.700 0.022 0.000 2.442 91 S HA -0.198 nan 4.470 nan 0.000 0.236 91 S C 0.739 175.365 174.600 0.043 0.000 1.007 91 S CA 3.039 61.253 58.200 0.024 0.000 0.965 91 S CB -0.218 62.990 63.200 0.014 0.000 0.773 91 S HN 0.664 9.335 8.310 0.015 -0.352 0.504 92 K N -1.083 119.355 120.400 0.062 0.000 2.444 92 K HA 0.096 nan 4.320 nan 0.000 0.193 92 K C -0.145 176.564 176.600 0.182 0.000 1.024 92 K CA -1.106 55.240 56.287 0.099 0.000 1.077 92 K CB -0.167 32.389 32.500 0.093 0.000 0.833 92 K HN -0.101 8.124 8.250 0.053 0.057 0.517 93 A N 0.521 123.429 122.820 0.147 0.000 2.466 93 A HA -0.014 nan 4.320 nan 0.000 0.238 93 A C -0.933 176.791 177.584 0.233 0.000 1.074 93 A CA 0.790 52.923 52.037 0.160 0.000 0.774 93 A CB 0.577 19.614 19.000 0.061 0.000 1.015 93 A HN -0.603 7.536 8.150 0.094 0.068 0.498 94 F N -0.751 119.268 119.950 0.114 0.000 2.631 94 F HA 0.326 nan 4.527 nan 0.000 0.308 94 F C -1.926 173.984 175.800 0.183 0.000 1.097 94 F CA -1.630 56.417 58.000 0.078 0.000 0.952 94 F CB 2.744 41.739 39.000 -0.007 0.000 1.307 94 F HN -0.141 8.047 8.300 -0.185 0.000 0.450 95 S N -0.204 115.612 115.700 0.194 0.000 2.578 95 S HA 0.077 nan 4.470 nan 0.000 0.283 95 S C -1.506 173.254 174.600 0.267 0.000 1.195 95 S CA -0.153 58.166 58.200 0.198 0.000 1.050 95 S CB 1.566 64.901 63.200 0.226 0.000 1.012 95 S HN 0.117 8.561 8.310 0.223 0.000 0.511 96 N N 2.193 121.033 118.700 0.232 0.000 2.620 96 N HA 0.101 nan 4.740 nan 0.000 0.277 96 N C -2.641 172.937 175.510 0.114 0.000 1.726 96 N CA 0.299 53.476 53.050 0.211 0.000 0.840 96 N CB 0.763 39.424 38.487 0.291 0.000 1.379 96 N HN 0.266 9.141 8.380 0.233 -0.355 0.506 97 c N -1.980 116.659 118.600 0.065 0.000 3.236 97 c HA 0.382 nan 4.570 nan 0.000 0.376 97 c C -1.431 172.656 174.090 -0.006 0.000 2.349 97 c CA -1.900 54.374 56.329 -0.092 0.000 1.235 97 c CB 2.316 44.587 42.510 -0.399 0.000 2.754 97 c HN -0.407 7.902 8.230 0.132 0.000 0.443 98 Y N 2.176 122.361 120.300 -0.192 0.000 2.811 98 Y HA -0.123 nan 4.550 nan 0.000 0.334 98 Y C -1.716 174.320 175.900 0.227 0.000 1.247 98 Y CA -0.171 57.957 58.100 0.045 0.000 1.526 98 Y CB 0.375 38.869 38.460 0.057 0.000 1.284 98 Y HN 0.025 8.125 8.280 -0.299 0.000 0.586 99 P HA 0.040 nan 4.420 nan 0.000 0.267 99 P C -2.203 175.300 177.300 0.339 0.000 1.209 99 P CA 0.154 63.332 63.100 0.130 0.000 0.763 99 P CB 0.240 31.899 31.700 -0.067 0.000 0.816 100 Y N 0.198 120.580 120.300 0.137 0.000 2.638 100 Y HA 0.725 nan 4.550 nan 0.000 0.339 100 Y C -2.279 173.630 175.900 0.015 0.000 1.084 100 Y CA -2.814 55.335 58.100 0.081 0.000 1.068 100 Y CB 3.344 41.805 38.460 0.002 0.000 1.294 100 Y HN -0.307 7.928 8.280 -0.075 0.000 0.480 101 D N -2.894 117.542 120.400 0.060 0.000 2.661 101 D HA 0.125 nan 4.640 nan 0.000 0.228 101 D C -2.163 174.168 176.300 0.052 0.000 1.183 101 D CA -1.422 52.543 54.000 -0.058 0.000 0.844 101 D CB 3.590 44.346 40.800 -0.073 0.000 1.555 101 D HN 0.084 8.550 8.370 0.160 0.000 0.453 102 V N -0.042 119.912 119.914 0.067 0.000 2.326 102 V HA 0.353 nan 4.120 nan 0.000 0.281 102 V C -0.735 175.345 176.094 -0.023 0.000 1.015 102 V CA -2.980 59.323 62.300 0.006 0.000 0.823 102 V CB 1.023 32.920 31.823 0.123 0.000 1.009 102 V HN 0.348 8.569 8.190 0.053 0.000 0.436 103 P HA -0.223 nan 4.420 nan 0.000 0.217 103 P C -0.452 176.867 177.300 0.031 0.000 1.158 103 P CA 2.527 65.598 63.100 -0.048 0.000 0.887 103 P CB 0.359 32.021 31.700 -0.064 0.000 0.792 104 D N -4.275 116.166 120.400 0.069 0.000 2.795 104 D HA 0.173 nan 4.640 nan 0.000 0.335 104 D C -0.097 176.267 176.300 0.107 0.000 1.262 104 D CA -2.167 51.900 54.000 0.112 0.000 0.885 104 D CB -0.494 40.402 40.800 0.161 0.000 1.047 104 D HN -0.293 8.109 8.370 0.053 0.000 0.500 105 Y N 4.797 125.076 120.300 -0.034 0.000 2.139 105 Y HA -0.623 nan 4.550 nan 0.000 0.282 105 Y C 0.015 175.866 175.900 -0.082 0.000 1.179 105 Y CA 4.279 62.339 58.100 -0.067 0.000 1.161 105 Y CB 0.217 38.634 38.460 -0.071 0.000 0.970 105 Y HN -0.275 8.069 8.280 0.196 0.053 0.511 106 A N -3.332 119.579 122.820 0.151 0.000 1.902 106 A HA -0.409 nan 4.320 nan 0.000 0.217 106 A C 2.241 179.791 177.584 -0.057 0.000 1.181 106 A CA 3.169 55.239 52.037 0.056 0.000 0.623 106 A CB -1.357 17.683 19.000 0.066 0.000 0.818 106 A HN 0.426 8.663 8.150 0.182 0.022 0.443 107 S N -0.136 115.542 115.700 -0.037 0.000 2.371 107 S HA -0.248 nan 4.470 nan 0.000 0.224 107 S C 1.813 176.242 174.600 -0.286 0.000 1.029 107 S CA 3.569 61.720 58.200 -0.083 0.000 0.978 107 S CB 0.009 63.248 63.200 0.064 0.000 0.833 107 S HN -0.605 8.005 8.310 0.027 -0.284 0.466 108 L N 1.921 122.917 121.223 -0.379 0.000 2.046 108 L HA -0.306 nan 4.340 nan 0.000 0.208 108 L C 0.755 177.301 176.870 -0.539 0.000 1.077 108 L CA 2.919 57.380 54.840 -0.632 0.000 0.747 108 L CB -0.391 41.328 42.059 -0.567 0.000 0.896 108 L HN -0.371 7.720 8.230 -0.232 0.000 0.432 109 R N -1.577 118.615 120.500 -0.513 0.000 2.105 109 R HA -0.455 nan 4.340 nan 0.000 0.239 109 R C 2.232 178.348 176.300 -0.307 0.000 1.135 109 R CA 3.724 59.550 56.100 -0.457 0.000 0.967 109 R CB -0.364 29.676 30.300 -0.435 0.000 0.861 109 R HN 0.413 8.362 8.270 -0.534 0.000 0.442 110 S N -0.336 115.220 115.700 -0.240 0.000 2.357 110 S HA -0.233 nan 4.470 nan 0.000 0.221 110 S C 1.891 176.393 174.600 -0.163 0.000 1.031 110 S CA 3.159 61.265 58.200 -0.156 0.000 0.982 110 S CB -0.112 63.023 63.200 -0.109 0.000 0.853 110 S HN -0.589 7.469 8.310 -0.245 0.105 0.458 111 L N 1.407 122.479 121.223 -0.250 0.000 2.012 111 L HA -0.403 nan 4.340 nan 0.000 0.210 111 L C 1.987 178.719 176.870 -0.230 0.000 1.073 111 L CA 3.435 58.106 54.840 -0.282 0.000 0.748 111 L CB 0.160 41.912 42.059 -0.512 0.000 0.891 111 L HN 0.020 8.069 8.230 -0.302 0.000 0.431 112 V N -2.280 117.471 119.914 -0.271 0.000 2.307 112 V HA -0.456 nan 4.120 nan 0.000 0.245 112 V C 1.668 177.775 176.094 0.022 0.000 1.045 112 V CA 4.034 66.234 62.300 -0.167 0.000 1.024 112 V CB -1.032 30.632 31.823 -0.265 0.000 0.651 112 V HN -0.040 7.933 8.190 -0.362 0.000 0.449 113 A N -1.490 121.321 122.820 -0.015 0.000 1.948 113 A HA -0.357 nan 4.320 nan 0.000 0.220 113 A C 2.260 179.983 177.584 0.232 0.000 1.177 113 A CA 3.377 55.501 52.037 0.146 0.000 0.636 113 A CB -0.660 18.335 19.000 -0.009 0.000 0.815 113 A HN 0.084 8.146 8.150 -0.146 0.000 0.449 114 S N -4.483 111.260 115.700 0.072 0.000 2.524 114 S HA -0.092 nan 4.470 nan 0.000 0.216 114 S C 1.691 176.278 174.600 -0.022 0.000 0.987 114 S CA 2.540 60.770 58.200 0.049 0.000 0.909 114 S CB -0.110 63.103 63.200 0.022 0.000 0.781 114 S HN 0.011 8.315 8.310 0.004 0.009 0.521 115 S N 2.640 118.309 115.700 -0.052 0.000 2.368 115 S HA -0.195 nan 4.470 nan 0.000 0.224 115 S C 1.265 175.714 174.600 -0.252 0.000 1.029 115 S CA 2.034 60.168 58.200 -0.110 0.000 0.988 115 S CB 0.297 63.443 63.200 -0.089 0.000 0.838 115 S HN -0.436 7.732 8.310 -0.028 0.125 0.462 116 G N 0.509 109.054 108.800 -0.425 0.000 2.136 116 G HA2 -0.318 nan 3.960 nan 0.000 0.242 116 G HA3 -0.318 nan 3.960 nan 0.000 0.242 116 G C -2.081 171.975 174.900 -1.406 0.000 0.989 116 G CA 0.696 45.056 45.100 -1.232 0.000 0.682 116 G HN -0.174 8.020 8.290 -0.160 0.000 0.522 117 T N -1.460 112.620 114.554 -0.789 0.000 2.923 117 T HA 0.508 nan 4.350 nan 0.000 0.311 117 T C -1.556 173.142 174.700 -0.004 0.000 1.183 117 T CA -0.828 61.038 62.100 -0.391 0.000 1.020 117 T CB 1.858 70.601 68.868 -0.209 0.000 1.165 117 T HN -0.583 7.364 8.240 -0.489 0.000 0.482 118 L N 4.063 125.417 121.223 0.218 0.000 2.910 118 L HA 0.363 nan 4.340 nan 0.000 0.252 118 L C -0.516 176.589 176.870 0.392 0.000 1.195 118 L CA -1.076 54.008 54.840 0.407 0.000 1.003 118 L CB 0.755 43.081 42.059 0.445 0.000 1.328 118 L HN 0.612 8.954 8.230 0.186 0.000 0.540 119 E N 0.886 121.215 120.200 0.215 0.000 2.606 119 E HA -0.303 nan 4.350 nan 0.000 0.248 119 E C -1.708 174.920 176.600 0.046 0.000 1.005 119 E CA 1.331 57.789 56.400 0.096 0.000 0.946 119 E CB 0.019 29.715 29.700 -0.006 0.000 0.928 119 E HN -0.732 7.636 8.360 0.146 0.080 0.494 120 F N 6.892 126.703 119.950 -0.233 0.000 2.507 120 F HA 0.536 nan 4.527 nan 0.000 0.325 120 F C -1.478 174.064 175.800 -0.431 0.000 1.116 120 F CA -1.290 56.414 58.000 -0.493 0.000 0.930 120 F CB 2.674 41.346 39.000 -0.546 0.000 1.146 120 F HN -0.257 8.362 8.300 0.074 -0.275 0.447 121 I N 7.613 127.425 120.570 -1.264 0.000 2.378 121 I HA 0.249 nan 4.170 nan 0.000 0.291 121 I C -1.069 174.440 176.117 -1.013 0.000 0.992 121 I CA -2.223 58.496 61.300 -0.967 0.000 1.154 121 I CB 1.747 39.064 38.000 -1.139 0.000 1.315 121 I HN 0.804 7.961 8.210 -1.756 0.000 0.448 122 T N 8.266 122.550 114.554 -0.451 0.000 2.817 122 T HA 0.191 nan 4.350 nan 0.000 0.293 122 T C -0.978 173.683 174.700 -0.066 0.000 0.964 122 T CA -0.470 61.521 62.100 -0.182 0.000 1.085 122 T CB 0.431 69.334 68.868 0.058 0.000 0.921 122 T HN 0.221 8.293 8.240 -0.281 0.000 0.502 123 E N 5.480 125.730 120.200 0.082 0.000 2.235 123 E HA 0.308 nan 4.350 nan 0.000 0.265 123 E C 0.019 176.642 176.600 0.038 0.000 0.940 123 E CA -1.525 54.900 56.400 0.041 0.000 0.819 123 E CB 2.897 32.611 29.700 0.023 0.000 1.206 123 E HN 0.400 8.783 8.360 0.219 0.109 0.409 124 G N 1.497 110.227 108.800 -0.116 0.000 3.213 124 G HA2 0.055 nan 3.960 nan 0.000 0.263 124 G HA3 0.055 nan 3.960 nan 0.000 0.263 124 G C -0.965 173.807 174.900 -0.214 0.000 0.829 124 G CA -0.290 44.753 45.100 -0.095 0.000 1.983 124 G HN 0.427 8.618 8.290 -0.166 0.000 0.616 125 F N 1.612 121.511 119.950 -0.085 0.000 2.495 125 F HA -0.130 nan 4.527 nan 0.000 0.365 125 F C 0.106 175.577 175.800 -0.547 0.000 1.090 125 F CA 0.660 58.444 58.000 -0.359 0.000 1.235 125 F CB 1.055 39.873 39.000 -0.302 0.000 1.119 125 F HN -0.656 7.790 8.300 0.309 0.039 0.562 126 T N 6.257 120.517 114.554 -0.491 0.000 2.770 126 T HA 0.180 nan 4.350 nan 0.000 0.297 126 T C -0.847 173.562 174.700 -0.484 0.000 0.997 126 T CA -0.408 61.470 62.100 -0.369 0.000 0.949 126 T CB -0.001 68.747 68.868 -0.201 0.000 0.941 126 T HN 0.272 8.231 8.240 -0.469 0.000 0.457 127 W N 7.432 128.774 121.300 0.069 0.000 2.367 127 W HA 0.129 nan 4.660 nan 0.000 0.329 127 W C -0.185 176.326 176.519 -0.014 0.000 1.066 127 W CA -1.333 56.027 57.345 0.025 0.000 1.435 127 W CB 0.033 29.501 29.460 0.014 0.000 1.296 127 W HN 0.332 8.488 8.180 -0.040 0.000 0.401 128 T N -0.816 113.809 114.554 0.118 0.000 2.767 128 T HA 0.269 nan 4.350 nan 0.000 0.288 128 T C 0.561 175.279 174.700 0.031 0.000 0.963 128 T CA -0.806 61.327 62.100 0.055 0.000 1.019 128 T CB 0.110 68.989 68.868 0.018 0.000 0.923 128 T HN 0.174 8.471 8.240 0.096 0.000 0.468 129 G N 4.066 112.866 108.800 0.001 0.000 2.159 129 G HA2 -0.320 nan 3.960 nan 0.000 0.227 129 G HA3 -0.320 nan 3.960 nan 0.000 0.227 129 G C -2.277 172.553 174.900 -0.116 0.000 0.986 129 G CA 0.145 45.222 45.100 -0.038 0.000 0.651 129 G HN 0.591 8.887 8.290 0.011 0.000 0.523 130 V N -6.163 113.670 119.914 -0.135 0.000 3.001 130 V HA 0.703 nan 4.120 nan 0.000 0.314 130 V C -0.649 175.363 176.094 -0.136 0.000 1.099 130 V CA -3.329 58.817 62.300 -0.257 0.000 0.989 130 V CB 2.119 33.669 31.823 -0.456 0.000 1.040 130 V HN -0.770 7.353 8.190 -0.050 0.037 0.434 131 T N 5.379 119.844 114.554 -0.149 0.000 2.794 131 T HA 0.255 nan 4.350 nan 0.000 0.296 131 T C -0.645 173.983 174.700 -0.120 0.000 0.949 131 T CA 0.349 62.380 62.100 -0.115 0.000 1.101 131 T CB 0.111 68.898 68.868 -0.136 0.000 0.905 131 T HN 0.436 8.464 8.240 -0.181 0.103 0.516 132 Q N 5.349 125.108 119.800 -0.070 0.000 2.185 132 Q HA 0.250 nan 4.340 nan 0.000 0.225 132 Q C 0.105 176.057 176.000 -0.080 0.000 0.983 132 Q CA -0.244 55.526 55.803 -0.056 0.000 0.950 132 Q CB 1.443 30.205 28.738 0.039 0.000 1.176 132 Q HN 0.328 8.572 8.270 -0.042 0.000 0.510 133 N N -4.160 114.508 118.700 -0.053 0.000 2.725 133 N HA -0.417 nan 4.740 nan 0.000 0.249 133 N C -0.151 175.284 175.510 -0.126 0.000 1.103 133 N CA 0.652 53.678 53.050 -0.040 0.000 0.707 133 N CB -1.437 37.049 38.487 -0.002 0.000 1.043 133 N HN 0.358 9.053 8.380 -0.040 -0.339 0.553 134 G N -0.845 107.795 108.800 -0.266 0.000 2.559 134 G HA2 -0.155 nan 3.960 nan 0.000 0.235 134 G HA3 -0.155 nan 3.960 nan 0.000 0.235 134 G C -0.801 173.897 174.900 -0.337 0.000 1.266 134 G CA 0.216 45.011 45.100 -0.509 0.000 0.847 134 G HN -0.352 7.761 8.290 -0.248 0.029 0.583 135 G N -0.641 108.000 108.800 -0.265 0.000 2.866 135 G HA2 0.526 nan 3.960 nan 0.000 0.289 135 G HA3 0.526 nan 3.960 nan 0.000 0.289 135 G C -2.100 172.892 174.900 0.153 0.000 1.396 135 G CA -0.547 44.598 45.100 0.075 0.000 0.848 135 G HN -0.298 7.758 8.290 -0.389 0.000 0.515 136 S N -2.949 112.948 115.700 0.329 0.000 2.579 136 S HA 0.262 nan 4.470 nan 0.000 0.272 136 S C -0.537 174.193 174.600 0.216 0.000 1.141 136 S CA -1.548 56.864 58.200 0.353 0.000 0.843 136 S CB 2.264 65.880 63.200 0.694 0.000 1.122 136 S HN 0.317 8.792 8.310 0.332 0.034 0.468 137 N N 3.250 122.036 118.700 0.145 0.000 2.457 137 N HA -0.085 nan 4.740 nan 0.000 0.180 137 N C 0.665 176.213 175.510 0.063 0.000 1.050 137 N CA 1.717 54.817 53.050 0.084 0.000 0.906 137 N CB -0.238 38.281 38.487 0.052 0.000 0.968 137 N HN 0.528 8.996 8.380 0.146 0.000 0.445 138 A N -1.878 120.979 122.820 0.062 0.000 2.168 138 A HA -0.045 nan 4.320 nan 0.000 0.215 138 A C -0.427 177.173 177.584 0.028 0.000 1.152 138 A CA 1.175 53.212 52.037 0.000 0.000 0.716 138 A CB 0.112 19.050 19.000 -0.104 0.000 0.794 138 A HN -0.205 7.982 8.150 0.104 0.025 0.465 139 c N -1.721 116.922 118.600 0.072 0.000 3.273 139 c HA 0.278 nan 4.570 nan 0.000 0.227 139 c C -1.457 172.660 174.090 0.044 0.000 1.409 139 c CA -2.041 54.296 56.329 0.013 0.000 1.516 139 c CB -1.315 41.160 42.510 -0.059 0.000 1.853 139 c HN -0.605 7.524 8.230 0.127 0.177 0.472 140 K N 2.764 123.191 120.400 0.047 0.000 2.447 140 K HA -0.155 nan 4.320 nan 0.000 0.281 140 K C -1.078 175.550 176.600 0.048 0.000 1.031 140 K CA 0.426 56.743 56.287 0.051 0.000 1.019 140 K CB 0.271 32.799 32.500 0.046 0.000 0.918 140 K HN -0.029 8.246 8.250 0.042 0.000 0.476 141 R N 7.428 127.958 120.500 0.049 0.000 2.371 141 R HA 0.113 nan 4.340 nan 0.000 0.312 141 R C -0.370 175.956 176.300 0.043 0.000 0.980 141 R CA -1.074 55.054 56.100 0.046 0.000 0.867 141 R CB 1.003 31.332 30.300 0.048 0.000 1.163 141 R HN -0.167 8.134 8.270 0.052 0.000 0.492 142 G N 8.020 116.845 108.800 0.042 0.000 2.527 142 G HA2 -0.319 nan 3.960 nan 0.000 0.268 142 G HA3 -0.319 nan 3.960 nan 0.000 0.268 142 G C -1.761 173.159 174.900 0.034 0.000 1.175 142 G CA -0.020 45.101 45.100 0.036 0.000 0.962 142 G HN 0.211 8.529 8.290 0.046 0.000 0.560 143 P HA 0.031 nan 4.420 nan 0.000 0.227 143 P C -0.702 176.615 177.300 0.028 0.000 1.161 143 P CA 0.473 63.589 63.100 0.026 0.000 0.788 143 P CB 0.631 32.344 31.700 0.022 0.000 0.822 144 G N -1.306 107.512 108.800 0.030 0.000 2.537 144 G HA2 0.177 nan 3.960 nan 0.000 0.297 144 G HA3 0.177 nan 3.960 nan 0.000 0.297 144 G C -0.897 174.027 174.900 0.041 0.000 1.310 144 G CA -1.939 43.180 45.100 0.031 0.000 1.027 144 G HN -0.774 7.485 8.290 0.031 0.050 0.505 145 S N 0.074 115.800 115.700 0.043 0.000 2.593 145 S HA 0.253 nan 4.470 nan 0.000 0.269 145 S C -0.403 174.245 174.600 0.080 0.000 1.334 145 S CA 1.229 59.468 58.200 0.064 0.000 1.015 145 S CB 0.589 63.820 63.200 0.052 0.000 0.912 145 S HN 0.158 8.487 8.310 0.032 0.000 0.541 146 G N -0.124 108.750 108.800 0.124 0.000 2.650 146 G HA2 0.407 nan 3.960 nan 0.000 0.310 146 G HA3 0.407 nan 3.960 nan 0.000 0.310 146 G C -3.433 171.631 174.900 0.273 0.000 1.270 146 G CA 0.065 45.252 45.100 0.145 0.000 0.810 146 G HN 0.437 8.816 8.290 0.148 0.000 0.493 147 F N -2.988 116.954 119.950 -0.014 0.000 2.926 147 F HA 0.307 nan 4.527 nan 0.000 0.321 147 F C -2.118 173.590 175.800 -0.153 0.000 1.168 147 F CA -1.941 56.012 58.000 -0.078 0.000 0.890 147 F CB 3.625 42.698 39.000 0.120 0.000 1.357 147 F HN -0.182 8.222 8.300 0.175 0.000 0.468 148 F N 1.262 121.039 119.950 -0.288 0.000 2.602 148 F HA -0.103 nan 4.527 nan 0.000 0.385 148 F C 1.399 177.205 175.800 0.009 0.000 1.063 148 F CA 0.814 58.697 58.000 -0.194 0.000 1.233 148 F CB -0.326 38.454 39.000 -0.367 0.000 1.067 148 F HN 0.088 7.636 8.300 -1.253 0.000 0.564 149 S N 6.506 122.279 115.700 0.122 0.000 2.400 149 S HA -0.385 nan 4.470 nan 0.000 0.232 149 S C 1.332 175.944 174.600 0.020 0.000 1.025 149 S CA 2.793 61.037 58.200 0.073 0.000 0.993 149 S CB -0.059 63.153 63.200 0.018 0.000 0.808 149 S HN 0.657 8.904 8.310 0.090 0.117 0.478 150 R N -0.866 119.610 120.500 -0.039 0.000 2.359 150 R HA 0.203 nan 4.340 nan 0.000 0.231 150 R C -1.736 174.600 176.300 0.060 0.000 0.913 150 R CA -0.687 55.289 56.100 -0.207 0.000 1.075 150 R CB 0.242 30.290 30.300 -0.419 0.000 1.087 150 R HN -0.659 7.603 8.270 0.021 0.020 0.515 151 L N -2.550 118.794 121.223 0.203 0.000 2.341 151 L HA 0.475 nan 4.340 nan 0.000 0.267 151 L C -2.325 174.744 176.870 0.332 0.000 1.009 151 L CA -1.397 53.614 54.840 0.284 0.000 0.819 151 L CB 3.424 45.681 42.059 0.330 0.000 1.323 151 L HN -0.394 7.920 8.230 0.247 0.064 0.425 152 N N 0.426 119.250 118.700 0.207 0.000 2.491 152 N HA 0.238 nan 4.740 nan 0.000 0.274 152 N C -2.256 173.255 175.510 0.001 0.000 1.023 152 N CA -1.292 51.818 53.050 0.100 0.000 0.902 152 N CB 2.054 40.577 38.487 0.060 0.000 1.267 152 N HN 0.310 8.690 8.380 0.158 0.095 0.503 153 W N 6.003 127.103 121.300 -0.334 0.000 2.345 153 W HA 0.255 nan 4.660 nan 0.000 0.308 153 W C -1.896 174.453 176.519 -0.283 0.000 1.273 153 W CA -1.987 55.100 57.345 -0.431 0.000 1.243 153 W CB 0.403 29.336 29.460 -0.879 0.000 1.260 153 W HN 0.427 8.575 8.180 -0.053 0.000 0.509 154 L N 8.402 129.746 121.223 0.202 0.000 2.317 154 L HA 0.614 nan 4.340 nan 0.000 0.281 154 L C -1.189 175.847 176.870 0.277 0.000 1.024 154 L CA -0.929 53.938 54.840 0.045 0.000 0.810 154 L CB 1.084 43.076 42.059 -0.111 0.000 1.240 154 L HN -0.362 8.063 8.230 0.325 0.000 0.427 155 T N -2.221 112.353 114.554 0.032 0.000 2.888 155 T HA 0.691 nan 4.350 nan 0.000 0.288 155 T C -0.606 174.100 174.700 0.010 0.000 1.063 155 T CA -2.290 59.853 62.100 0.072 0.000 1.010 155 T CB 2.925 71.629 68.868 -0.273 0.000 1.214 155 T HN 0.580 8.754 8.240 -0.110 0.000 0.533 156 K N -1.095 119.367 120.400 0.103 0.000 2.397 156 K HA 0.022 nan 4.320 nan 0.000 0.265 156 K C -0.395 176.165 176.600 -0.066 0.000 0.982 156 K CA 0.573 56.892 56.287 0.054 0.000 0.931 156 K CB 0.360 32.913 32.500 0.089 0.000 0.943 156 K HN 0.337 8.631 8.250 0.074 0.000 0.501 157 S N 1.631 117.291 115.700 -0.067 0.000 2.498 157 S HA 0.216 nan 4.470 nan 0.000 0.317 157 S C 0.258 174.842 174.600 -0.027 0.000 1.090 157 S CA -0.918 57.248 58.200 -0.057 0.000 1.089 157 S CB 0.959 64.121 63.200 -0.064 0.000 0.997 157 S HN -0.094 8.177 8.310 -0.064 0.000 0.470 158 G N 7.949 116.733 108.800 -0.027 0.000 3.181 158 G HA2 -0.476 nan 3.960 nan 0.000 0.322 158 G HA3 -0.476 nan 3.960 nan 0.000 0.322 158 G C -0.614 174.284 174.900 -0.004 0.000 1.246 158 G CA 2.152 47.242 45.100 -0.015 0.000 0.989 158 G HN 0.562 8.829 8.290 -0.039 0.000 0.607 159 S N 3.616 119.321 115.700 0.008 0.000 2.846 159 S HA 0.253 nan 4.470 nan 0.000 0.249 159 S C -1.057 173.568 174.600 0.042 0.000 1.028 159 S CA -0.527 57.685 58.200 0.020 0.000 1.043 159 S CB 1.449 64.659 63.200 0.016 0.000 0.990 159 S HN -0.240 8.074 8.310 0.008 0.000 0.564 160 T N 0.516 115.101 114.554 0.052 0.000 2.932 160 T HA 0.286 nan 4.350 nan 0.000 0.318 160 T C -2.900 171.878 174.700 0.130 0.000 1.265 160 T CA -0.105 62.047 62.100 0.087 0.000 1.036 160 T CB 2.564 71.468 68.868 0.060 0.000 1.209 160 T HN -0.401 7.859 8.240 0.034 0.000 0.484 161 Y N 3.452 123.780 120.300 0.046 0.000 2.326 161 Y HA 0.422 nan 4.550 nan 0.000 0.331 161 Y C -2.510 173.426 175.900 0.060 0.000 0.962 161 Y CA -3.858 54.281 58.100 0.065 0.000 1.167 161 Y CB 1.914 40.435 38.460 0.102 0.000 1.148 161 Y HN 0.352 8.781 8.280 0.248 0.000 0.463 162 P HA 0.094 nan 4.420 nan 0.000 0.277 162 P C -1.629 175.809 177.300 0.229 0.000 1.271 162 P CA -1.023 62.175 63.100 0.163 0.000 0.795 162 P CB 1.092 32.838 31.700 0.077 0.000 1.101 163 V N -0.694 119.310 119.914 0.149 0.000 2.405 163 V HA -0.018 nan 4.120 nan 0.000 0.264 163 V C -0.046 176.131 176.094 0.138 0.000 1.048 163 V CA -0.175 62.209 62.300 0.140 0.000 0.966 163 V CB -0.732 31.140 31.823 0.082 0.000 1.015 163 V HN 0.014 8.269 8.190 0.109 0.000 0.477 164 L N 8.768 130.106 121.223 0.191 0.000 2.367 164 L HA 0.057 nan 4.340 nan 0.000 0.275 164 L C -0.719 176.240 176.870 0.148 0.000 1.129 164 L CA 0.175 55.141 54.840 0.209 0.000 0.839 164 L CB 0.686 42.946 42.059 0.335 0.000 1.133 164 L HN 0.681 9.058 8.230 0.244 0.000 0.453 165 N N 3.764 122.528 118.700 0.106 0.000 2.640 165 N HA 0.229 nan 4.740 nan 0.000 0.262 165 N C -1.361 174.161 175.510 0.021 0.000 1.174 165 N CA -0.096 52.985 53.050 0.053 0.000 0.791 165 N CB 1.082 39.585 38.487 0.026 0.000 1.279 165 N HN -0.070 8.369 8.380 0.099 0.000 0.535 166 V N 0.276 120.203 119.914 0.021 0.000 3.103 166 V HA 0.755 nan 4.120 nan 0.000 0.318 166 V C -2.475 173.601 176.094 -0.031 0.000 1.114 166 V CA -2.652 59.618 62.300 -0.050 0.000 1.020 166 V CB 4.182 35.902 31.823 -0.172 0.000 1.085 166 V HN 0.587 8.817 8.190 0.066 0.000 0.446 167 T N 1.434 115.948 114.554 -0.066 0.000 2.923 167 T HA 0.550 nan 4.350 nan 0.000 0.311 167 T C -1.972 172.656 174.700 -0.120 0.000 1.183 167 T CA 0.214 62.275 62.100 -0.066 0.000 1.020 167 T CB 1.479 70.305 68.868 -0.070 0.000 1.165 167 T HN -0.122 8.051 8.240 -0.113 0.000 0.482 168 M N 5.842 125.380 119.600 -0.104 0.000 2.122 168 M HA 0.611 nan 4.480 nan 0.000 0.269 168 M C -2.956 173.299 176.300 -0.076 0.000 0.954 168 M CA -2.695 52.515 55.300 -0.151 0.000 0.998 168 M CB 3.982 36.467 32.600 -0.192 0.000 1.755 168 M HN 0.572 8.819 8.290 -0.073 0.000 0.459 169 P HA 0.207 nan 4.420 nan 0.000 0.279 169 P C -1.798 175.461 177.300 -0.068 0.000 1.239 169 P CA -0.759 62.301 63.100 -0.066 0.000 0.789 169 P CB 0.527 32.182 31.700 -0.074 0.000 0.933 170 N N 2.207 120.863 118.700 -0.074 0.000 2.469 170 N HA 0.048 nan 4.740 nan 0.000 0.239 170 N C -0.241 175.171 175.510 -0.163 0.000 1.053 170 N CA -1.095 51.873 53.050 -0.136 0.000 0.937 170 N CB 0.413 38.824 38.487 -0.127 0.000 1.163 170 N HN 0.079 8.424 8.380 -0.059 0.000 0.509 171 N N 4.829 123.418 118.700 -0.186 0.000 2.205 171 N HA 0.027 nan 4.740 nan 0.000 0.201 171 N C -0.292 175.089 175.510 -0.214 0.000 1.128 171 N CA 0.356 53.310 53.050 -0.161 0.000 0.867 171 N CB 1.601 40.020 38.487 -0.113 0.000 0.996 171 N HN 0.252 8.511 8.380 -0.201 0.000 0.503 172 D N 0.298 120.474 120.400 -0.373 0.000 2.451 172 D HA 0.149 nan 4.640 nan 0.000 0.259 172 D C -1.060 174.944 176.300 -0.494 0.000 1.201 172 D CA -0.455 53.232 54.000 -0.522 0.000 1.028 172 D CB 0.835 40.966 40.800 -1.114 0.000 1.095 172 D HN -0.549 7.694 8.370 -0.431 -0.132 0.539 173 N N -1.563 116.889 118.700 -0.413 0.000 2.320 173 N HA 0.028 nan 4.740 nan 0.000 0.237 173 N C -1.541 173.923 175.510 -0.077 0.000 1.129 173 N CA -0.039 52.908 53.050 -0.172 0.000 0.854 173 N CB -0.287 38.182 38.487 -0.029 0.000 1.083 173 N HN 0.267 8.409 8.380 -0.397 0.000 0.504 174 F N -3.679 116.254 119.950 -0.029 0.000 2.650 174 F HA 0.223 nan 4.527 nan 0.000 0.320 174 F C -1.793 173.981 175.800 -0.042 0.000 1.091 174 F CA -2.226 55.760 58.000 -0.023 0.000 0.962 174 F CB 2.075 41.070 39.000 -0.009 0.000 1.363 174 F HN -0.842 6.843 8.300 -0.903 0.073 0.482 175 D N 0.363 120.917 120.400 0.257 0.000 2.304 175 D HA 0.140 nan 4.640 nan 0.000 0.247 175 D C -0.872 175.553 176.300 0.208 0.000 1.089 175 D CA -0.009 54.087 54.000 0.160 0.000 0.910 175 D CB 1.216 42.099 40.800 0.139 0.000 1.199 175 D HN 0.069 8.597 8.370 0.263 0.000 0.426 176 K N 0.186 120.636 120.400 0.083 0.000 2.274 176 K HA 0.691 nan 4.320 nan 0.000 0.262 176 K C -1.505 175.149 176.600 0.091 0.000 0.961 176 K CA -1.230 55.035 56.287 -0.037 0.000 0.833 176 K CB 2.732 35.001 32.500 -0.384 0.000 1.102 176 K HN 0.245 8.544 8.250 0.082 0.000 0.436 177 L N 5.524 126.845 121.223 0.163 0.000 2.265 177 L HA 0.506 nan 4.340 nan 0.000 0.289 177 L C -2.163 174.884 176.870 0.295 0.000 1.033 177 L CA -0.984 54.022 54.840 0.277 0.000 0.814 177 L CB 1.624 43.837 42.059 0.257 0.000 1.203 177 L HN 0.362 8.726 8.230 0.224 0.000 0.423 178 Y N 7.451 128.046 120.300 0.491 0.000 2.331 178 Y HA 0.270 nan 4.550 nan 0.000 0.338 178 Y C -1.115 175.108 175.900 0.538 0.000 0.976 178 Y CA -1.080 57.345 58.100 0.543 0.000 1.137 178 Y CB 1.974 40.735 38.460 0.500 0.000 1.172 178 Y HN 1.000 9.670 8.280 0.649 0.000 0.478 179 I N 5.247 126.185 120.570 0.614 0.000 2.315 179 I HA 0.345 nan 4.170 nan 0.000 0.291 179 I C -1.063 175.279 176.117 0.375 0.000 1.006 179 I CA -1.928 59.577 61.300 0.341 0.000 1.265 179 I CB -0.303 37.813 38.000 0.193 0.000 1.387 179 I HN 0.390 9.017 8.210 0.695 0.000 0.475 180 W N 2.325 123.749 121.300 0.207 0.000 3.335 180 W HA 0.789 nan 4.660 nan 0.000 0.335 180 W C -2.489 174.095 176.519 0.108 0.000 1.164 180 W CA -1.966 55.457 57.345 0.131 0.000 1.010 180 W CB 2.230 31.756 29.460 0.111 0.000 1.524 180 W HN 0.589 8.554 8.180 -0.358 0.000 0.605 181 G N -3.420 105.653 108.800 0.456 0.000 2.548 181 G HA2 0.694 nan 3.960 nan 0.000 0.301 181 G HA3 0.694 nan 3.960 nan 0.000 0.301 181 G C -3.327 171.746 174.900 0.287 0.000 1.349 181 G CA -0.018 45.219 45.100 0.228 0.000 0.792 181 G HN 0.048 8.690 8.290 0.586 0.000 0.481 182 I N -1.457 119.185 120.570 0.121 0.000 2.802 182 I HA 0.628 nan 4.170 nan 0.000 0.298 182 I C -2.678 173.320 176.117 -0.199 0.000 1.176 182 I CA -1.905 59.378 61.300 -0.028 0.000 1.025 182 I CB 3.964 41.965 38.000 0.000 0.000 1.243 182 I HN 0.089 8.341 8.210 0.070 0.000 0.424 183 H N 8.814 127.663 119.070 -0.368 0.000 2.467 183 H HA 0.371 nan 4.556 nan 0.000 0.326 183 H C -1.542 173.609 175.328 -0.296 0.000 1.094 183 H CA -1.536 54.321 56.048 -0.320 0.000 1.253 183 H CB 2.197 31.804 29.762 -0.258 0.000 1.439 183 H HN 0.176 8.334 8.280 -0.203 0.000 0.479 184 H N 7.409 126.260 119.070 -0.366 0.000 2.661 184 H HA 0.384 nan 4.556 nan 0.000 0.290 184 H C -2.117 172.986 175.328 -0.376 0.000 1.082 184 H CA -2.165 53.737 56.048 -0.244 0.000 1.234 184 H CB 0.689 30.391 29.762 -0.099 0.000 1.387 184 H HN 0.578 8.620 8.280 -0.395 0.000 0.476 185 P HA -0.054 nan 4.420 nan 0.000 0.270 185 P C -0.218 177.129 177.300 0.079 0.000 1.223 185 P CA 0.309 63.431 63.100 0.036 0.000 0.785 185 P CB 0.777 32.613 31.700 0.226 0.000 0.923 186 S N 1.065 116.834 115.700 0.115 0.000 2.406 186 S HA -0.115 nan 4.470 nan 0.000 0.224 186 S C -0.942 173.715 174.600 0.095 0.000 1.030 186 S CA 3.050 61.309 58.200 0.099 0.000 0.958 186 S CB 0.935 64.201 63.200 0.110 0.000 0.811 186 S HN 0.180 9.061 8.310 0.160 -0.475 0.489 187 T N -5.938 108.682 114.554 0.109 0.000 2.906 187 T HA 0.266 nan 4.350 nan 0.000 0.295 187 T C 0.066 174.825 174.700 0.097 0.000 1.061 187 T CA -2.447 59.709 62.100 0.092 0.000 1.000 187 T CB 3.881 72.801 68.868 0.087 0.000 1.103 187 T HN -0.575 7.744 8.240 0.132 0.000 0.486 188 N N 2.203 120.951 118.700 0.080 0.000 2.223 188 N HA -0.415 nan 4.740 nan 0.000 0.185 188 N C 1.743 177.300 175.510 0.079 0.000 1.016 188 N CA 3.990 57.087 53.050 0.078 0.000 0.863 188 N CB -0.326 38.197 38.487 0.060 0.000 0.983 188 N HN 0.532 8.953 8.380 0.069 0.000 0.429 189 Q N 0.341 120.183 119.800 0.071 0.000 2.020 189 Q HA -0.286 nan 4.340 nan 0.000 0.202 189 Q C 1.675 177.717 176.000 0.071 0.000 0.982 189 Q CA 3.462 59.302 55.803 0.062 0.000 0.838 189 Q CB -0.534 28.237 28.738 0.056 0.000 0.899 189 Q HN 0.283 8.575 8.270 0.068 0.019 0.423 190 E N -0.482 119.775 120.200 0.095 0.000 2.097 190 E HA -0.481 nan 4.350 nan 0.000 0.196 190 E C 2.058 178.736 176.600 0.130 0.000 1.000 190 E CA 3.084 59.556 56.400 0.119 0.000 0.804 190 E CB -0.220 29.584 29.700 0.174 0.000 0.740 190 E HN -0.495 7.863 8.360 0.098 0.061 0.454 191 Q N -1.154 118.749 119.800 0.171 0.000 2.002 191 Q HA -0.330 nan 4.340 nan 0.000 0.204 191 Q C 2.338 178.424 176.000 0.144 0.000 0.988 191 Q CA 3.131 59.076 55.803 0.236 0.000 0.843 191 Q CB -0.301 28.555 28.738 0.196 0.000 0.908 191 Q HN -0.153 8.144 8.270 0.156 0.067 0.420 192 T N -2.852 111.755 114.554 0.089 0.000 2.867 192 T HA -0.229 nan 4.350 nan 0.000 0.268 192 T C 2.844 177.551 174.700 0.012 0.000 1.057 192 T CA 3.743 65.877 62.100 0.056 0.000 1.136 192 T CB -1.042 67.856 68.868 0.049 0.000 0.874 192 T HN -0.099 8.193 8.240 0.087 0.000 0.466 193 S N 3.925 119.621 115.700 -0.007 0.000 2.368 193 S HA -0.322 nan 4.470 nan 0.000 0.225 193 S C 1.811 176.335 174.600 -0.126 0.000 1.030 193 S CA 4.180 62.353 58.200 -0.044 0.000 0.999 193 S CB -0.175 63.008 63.200 -0.029 0.000 0.844 193 S HN 0.160 8.481 8.310 0.019 0.000 0.459 194 L N -0.359 120.712 121.223 -0.253 0.000 2.221 194 L HA -0.109 nan 4.340 nan 0.000 0.202 194 L C 1.246 177.777 176.870 -0.565 0.000 1.074 194 L CA 3.108 57.610 54.840 -0.564 0.000 0.795 194 L CB 0.734 42.177 42.059 -1.028 0.000 0.960 194 L HN -0.194 7.921 8.230 -0.192 0.000 0.458 195 Y N -6.305 114.034 120.300 0.065 0.000 2.557 195 Y HA 0.060 nan 4.550 nan 0.000 0.247 195 Y C 0.714 176.609 175.900 -0.008 0.000 1.164 195 Y CA 0.237 58.325 58.100 -0.020 0.000 1.218 195 Y CB -0.396 37.939 38.460 -0.209 0.000 1.210 195 Y HN 0.353 8.494 8.280 -0.231 0.000 0.529 196 V N -2.366 117.607 119.914 0.099 0.000 0.565 196 V HA -0.645 nan 4.120 nan 0.000 0.092 196 V C 0.541 176.680 176.094 0.074 0.000 1.978 196 V CA 2.964 65.315 62.300 0.084 0.000 3.460 196 V CB -1.207 30.682 31.823 0.110 0.000 0.751 196 V HN -0.343 7.788 8.190 0.045 0.086 0.781 197 Q N -0.305 119.535 119.800 0.066 0.000 2.304 197 Q HA -0.078 nan 4.340 nan 0.000 0.301 197 Q C -0.280 175.752 176.000 0.052 0.000 1.063 197 Q CA 0.216 56.044 55.803 0.042 0.000 0.947 197 Q CB 0.460 29.201 28.738 0.005 0.000 1.201 197 Q HN -0.148 8.124 8.270 0.070 0.039 0.389 198 A N 3.341 126.187 122.820 0.044 0.000 2.206 198 A HA -0.078 nan 4.320 nan 0.000 0.211 198 A C -0.724 176.886 177.584 0.044 0.000 1.158 198 A CA 1.299 53.367 52.037 0.051 0.000 0.761 198 A CB 0.202 19.227 19.000 0.042 0.000 0.801 198 A HN 0.180 8.352 8.150 0.038 0.000 0.473 199 S N -2.898 112.816 115.700 0.023 0.000 2.776 199 S HA 0.113 nan 4.470 nan 0.000 0.284 199 S C -0.741 173.841 174.600 -0.029 0.000 1.160 199 S CA -0.618 57.586 58.200 0.007 0.000 1.051 199 S CB 1.268 64.472 63.200 0.007 0.000 1.037 199 S HN -0.690 7.574 8.310 0.017 0.056 0.485 200 G N 1.991 110.752 108.800 -0.065 0.000 2.563 200 G HA2 0.280 nan 3.960 nan 0.000 0.283 200 G HA3 0.280 nan 3.960 nan 0.000 0.283 200 G C -1.892 172.942 174.900 -0.111 0.000 1.309 200 G CA -0.519 44.494 45.100 -0.145 0.000 1.022 200 G HN 0.043 8.306 8.290 -0.045 0.000 0.501 201 R N -1.770 118.650 120.500 -0.133 0.000 2.633 201 R HA 0.230 nan 4.340 nan 0.000 0.256 201 R C -2.141 174.090 176.300 -0.115 0.000 1.131 201 R CA 0.353 56.394 56.100 -0.097 0.000 0.994 201 R CB 3.226 33.484 30.300 -0.070 0.000 1.261 201 R HN -0.286 7.874 8.270 -0.183 0.000 0.446 202 V N 7.047 126.891 119.914 -0.117 0.000 2.487 202 V HA 0.654 nan 4.120 nan 0.000 0.298 202 V C -1.903 174.071 176.094 -0.199 0.000 1.028 202 V CA -1.099 61.103 62.300 -0.163 0.000 0.860 202 V CB 2.809 34.544 31.823 -0.146 0.000 0.991 202 V HN 0.839 8.970 8.190 -0.098 0.000 0.427 203 T N 9.712 124.134 114.554 -0.219 0.000 2.815 203 T HA 0.614 nan 4.350 nan 0.000 0.289 203 T C -1.860 172.654 174.700 -0.311 0.000 1.000 203 T CA -0.646 61.325 62.100 -0.214 0.000 0.958 203 T CB 0.964 69.754 68.868 -0.129 0.000 0.944 203 T HN 0.672 8.792 8.240 -0.200 0.000 0.442 204 V N 7.854 127.528 119.914 -0.400 0.000 2.448 204 V HA 0.817 nan 4.120 nan 0.000 0.295 204 V C -1.843 174.119 176.094 -0.220 0.000 1.025 204 V CA -1.671 60.361 62.300 -0.446 0.000 0.859 204 V CB 1.853 33.129 31.823 -0.911 0.000 0.988 204 V HN 0.949 8.936 8.190 -0.339 0.000 0.431 205 S N 6.000 121.606 115.700 -0.156 0.000 2.638 205 S HA 0.867 nan 4.470 nan 0.000 0.274 205 S C -1.351 173.213 174.600 -0.061 0.000 1.157 205 S CA -1.643 56.505 58.200 -0.086 0.000 0.826 205 S CB 3.313 66.466 63.200 -0.077 0.000 1.139 205 S HN 0.644 8.852 8.310 -0.171 0.000 0.474 206 T N -5.013 109.522 114.554 -0.032 0.000 2.645 206 T HA 0.592 nan 4.350 nan 0.000 0.273 206 T C 0.008 174.698 174.700 -0.017 0.000 0.960 206 T CA -1.909 60.180 62.100 -0.018 0.000 1.051 206 T CB 2.738 71.613 68.868 0.010 0.000 1.366 206 T HN 0.396 8.619 8.240 -0.028 0.000 0.536 207 R N -0.371 120.122 120.500 -0.011 0.000 2.189 207 R HA -0.120 nan 4.340 nan 0.000 0.223 207 R C 1.689 177.985 176.300 -0.007 0.000 1.092 207 R CA 2.711 58.804 56.100 -0.012 0.000 0.989 207 R CB 0.516 30.810 30.300 -0.010 0.000 0.876 207 R HN 0.212 8.948 8.270 -0.008 -0.471 0.457 208 R N -3.201 117.300 120.500 0.000 0.000 2.189 208 R HA -0.011 nan 4.340 nan 0.000 0.203 208 R C 0.093 176.393 176.300 -0.000 0.000 1.012 208 R CA 1.069 57.172 56.100 0.004 0.000 1.015 208 R CB 0.798 31.108 30.300 0.016 0.000 0.938 208 R HN 0.119 8.355 8.270 0.004 0.036 0.472 209 S N -2.699 112.998 115.700 -0.005 0.000 2.671 209 S HA 0.325 nan 4.470 nan 0.000 0.277 209 S C -2.223 172.363 174.600 -0.023 0.000 1.165 209 S CA -1.138 57.055 58.200 -0.012 0.000 0.822 209 S CB 2.582 65.776 63.200 -0.010 0.000 1.150 209 S HN -0.544 7.763 8.310 -0.005 0.000 0.479 210 Q N -3.515 116.267 119.800 -0.030 0.000 2.426 210 Q HA 0.580 nan 4.340 nan 0.000 0.278 210 Q C -1.690 174.284 176.000 -0.042 0.000 1.007 210 Q CA -0.514 55.262 55.803 -0.044 0.000 0.850 210 Q CB 3.361 32.070 28.738 -0.047 0.000 1.427 210 Q HN 0.053 8.306 8.270 -0.029 0.000 0.391 211 Q N 0.624 120.394 119.800 -0.050 0.000 2.304 211 Q HA 0.387 nan 4.340 nan 0.000 0.270 211 Q C -1.874 174.079 176.000 -0.078 0.000 1.035 211 Q CA -0.434 55.347 55.803 -0.037 0.000 0.781 211 Q CB 4.264 33.036 28.738 0.057 0.000 1.261 211 Q HN 0.510 8.734 8.270 -0.075 0.000 0.444 212 T N 6.338 120.846 114.554 -0.078 0.000 2.809 212 T HA 0.691 nan 4.350 nan 0.000 0.284 212 T C -1.009 173.641 174.700 -0.084 0.000 0.992 212 T CA -0.619 61.428 62.100 -0.089 0.000 0.957 212 T CB 0.625 69.451 68.868 -0.070 0.000 0.942 212 T HN 0.099 8.300 8.240 -0.065 0.000 0.439 213 I N 6.880 127.394 120.570 -0.094 0.000 2.441 213 I HA 0.350 nan 4.170 nan 0.000 0.295 213 I C -1.971 174.123 176.117 -0.039 0.000 0.994 213 I CA -1.748 59.499 61.300 -0.087 0.000 1.144 213 I CB 3.525 41.406 38.000 -0.199 0.000 1.314 213 I HN 0.940 9.091 8.210 -0.099 0.000 0.445 214 I N 0.446 121.017 120.570 0.001 0.000 2.530 214 I HA 0.670 nan 4.170 nan 0.000 0.297 214 I C -2.096 174.059 176.117 0.063 0.000 1.011 214 I CA -3.862 57.440 61.300 0.003 0.000 1.107 214 I CB 1.856 39.857 38.000 0.002 0.000 1.285 214 I HN -0.098 8.125 8.210 0.022 0.000 0.436 215 P HA 0.054 nan 4.420 nan 0.000 0.272 215 P C -2.191 175.262 177.300 0.254 0.000 1.254 215 P CA -0.404 62.774 63.100 0.130 0.000 0.795 215 P CB 0.764 32.444 31.700 -0.033 0.000 1.022 216 N N -1.337 117.630 118.700 0.445 0.000 2.519 216 N HA 0.276 nan 4.740 nan 0.000 0.286 216 N C -0.904 174.665 175.510 0.098 0.000 1.079 216 N CA -0.507 52.621 53.050 0.130 0.000 0.878 216 N CB 3.096 41.549 38.487 -0.056 0.000 1.375 216 N HN 0.214 9.242 8.380 1.080 0.000 0.514 217 I N 2.451 123.066 120.570 0.075 0.000 2.472 217 I HA 0.304 nan 4.170 nan 0.000 0.290 217 I C 0.188 176.330 176.117 0.042 0.000 1.016 217 I CA 0.421 61.763 61.300 0.069 0.000 1.348 217 I CB 0.606 38.651 38.000 0.075 0.000 1.417 217 I HN 0.392 8.642 8.210 0.065 0.000 0.521 218 G N 5.198 114.024 108.800 0.043 0.000 2.347 218 G HA2 -0.129 nan 3.960 nan 0.000 0.303 218 G HA3 -0.129 nan 3.960 nan 0.000 0.303 218 G C -2.629 172.294 174.900 0.038 0.000 1.481 218 G CA -0.360 44.759 45.100 0.032 0.000 0.914 218 G HN -0.088 8.235 8.290 0.055 0.000 0.638 219 S N 0.655 116.381 115.700 0.043 0.000 2.513 219 S HA 0.517 nan 4.470 nan 0.000 0.276 219 S C -0.563 174.061 174.600 0.041 0.000 1.254 219 S CA -0.288 57.946 58.200 0.056 0.000 1.053 219 S CB 0.922 64.163 63.200 0.070 0.000 0.958 219 S HN 0.036 8.369 8.310 0.039 0.000 0.491 220 R N 5.746 126.273 120.500 0.044 0.000 2.810 220 R HA 0.484 nan 4.340 nan 0.000 0.245 220 R C -2.503 173.836 176.300 0.064 0.000 1.168 220 R CA -2.664 53.454 56.100 0.031 0.000 1.096 220 R CB -0.218 30.087 30.300 0.008 0.000 1.259 220 R HN -0.480 7.822 8.270 0.053 0.000 0.518 221 P HA -0.019 nan 4.420 nan 0.000 0.268 221 P C -0.820 176.575 177.300 0.158 0.000 1.205 221 P CA -0.780 62.381 63.100 0.102 0.000 0.771 221 P CB 0.519 32.257 31.700 0.063 0.000 0.858 222 W N 2.412 123.703 121.300 -0.016 0.000 2.505 222 W HA -0.098 nan 4.660 nan 0.000 0.332 222 W C -1.469 175.034 176.519 -0.026 0.000 1.434 222 W CA 1.393 58.728 57.345 -0.017 0.000 1.320 222 W CB 0.390 29.844 29.460 -0.011 0.000 1.363 222 W HN 0.083 8.474 8.180 0.351 0.000 0.565 223 V N 9.564 129.424 119.914 -0.090 0.000 2.482 223 V HA 0.167 nan 4.120 nan 0.000 0.295 223 V C -0.599 175.343 176.094 -0.253 0.000 1.026 223 V CA -0.905 61.338 62.300 -0.095 0.000 0.856 223 V CB 2.218 33.994 31.823 -0.078 0.000 1.001 223 V HN 0.552 8.497 8.190 -0.227 0.109 0.424 224 R N 7.205 127.598 120.500 -0.179 0.000 3.405 224 R HA -0.366 nan 4.340 nan 0.000 0.258 224 R C -0.434 175.630 176.300 -0.393 0.000 1.030 224 R CA 0.567 56.550 56.100 -0.195 0.000 0.691 224 R CB -1.378 28.840 30.300 -0.136 0.000 1.093 224 R HN 0.817 9.052 8.270 -0.058 0.000 0.448 225 G N -6.609 101.707 108.800 -0.808 0.000 2.179 225 G HA2 -0.386 nan 3.960 nan 0.000 0.260 225 G HA3 -0.386 nan 3.960 nan 0.000 0.260 225 G C -1.302 172.668 174.900 -1.549 0.000 0.977 225 G CA -0.004 44.315 45.100 -1.303 0.000 0.641 225 G HN -0.130 7.629 8.290 -0.858 0.016 0.533 226 L N -1.189 119.407 121.223 -1.045 0.000 2.381 226 L HA 0.334 nan 4.340 nan 0.000 0.268 226 L C -0.265 176.402 176.870 -0.338 0.000 0.997 226 L CA -1.080 53.395 54.840 -0.610 0.000 0.818 226 L CB 2.686 44.460 42.059 -0.476 0.000 1.310 226 L HN -0.403 7.121 8.230 -0.855 0.193 0.416 227 S N 1.765 117.386 115.700 -0.132 0.000 2.524 227 S HA 0.013 nan 4.470 nan 0.000 0.215 227 S C -0.592 174.020 174.600 0.021 0.000 0.986 227 S CA 0.718 58.923 58.200 0.009 0.000 0.911 227 S CB 0.484 63.743 63.200 0.099 0.000 0.805 227 S HN 0.595 8.834 8.310 -0.119 0.000 0.501 228 S N 2.602 118.320 115.700 0.030 0.000 2.655 228 S HA 0.387 nan 4.470 nan 0.000 0.265 228 S C -0.515 174.158 174.600 0.122 0.000 1.240 228 S CA 0.108 58.364 58.200 0.094 0.000 0.986 228 S CB 1.077 64.415 63.200 0.230 0.000 0.985 228 S HN -0.334 7.941 8.310 0.003 0.037 0.562 229 R N -2.506 118.112 120.500 0.196 0.000 2.739 229 R HA 0.689 nan 4.340 nan 0.000 0.271 229 R C -2.166 174.326 176.300 0.321 0.000 1.010 229 R CA -1.960 54.299 56.100 0.265 0.000 0.897 229 R CB 4.587 34.992 30.300 0.175 0.000 1.236 229 R HN -0.326 8.013 8.270 0.114 0.000 0.466 230 I N -3.417 117.347 120.570 0.322 0.000 2.509 230 I HA 0.783 nan 4.170 nan 0.000 0.293 230 I C -1.424 174.777 176.117 0.140 0.000 1.020 230 I CA -2.119 59.273 61.300 0.154 0.000 1.088 230 I CB 2.810 40.841 38.000 0.052 0.000 1.267 230 I HN 0.334 8.767 8.210 0.371 0.000 0.430 231 S N 4.210 119.959 115.700 0.082 0.000 2.489 231 S HA 0.638 nan 4.470 nan 0.000 0.291 231 S C -1.007 173.442 174.600 -0.251 0.000 1.151 231 S CA -0.928 57.259 58.200 -0.021 0.000 1.082 231 S CB 1.340 64.589 63.200 0.080 0.000 1.019 231 S HN 0.121 8.441 8.310 0.016 0.000 0.492 232 I N 3.744 124.071 120.570 -0.405 0.000 2.385 232 I HA 0.382 nan 4.170 nan 0.000 0.294 232 I C -1.455 174.162 176.117 -0.833 0.000 0.988 232 I CA -1.336 59.678 61.300 -0.476 0.000 1.265 232 I CB -0.154 37.634 38.000 -0.353 0.000 1.388 232 I HN 0.297 8.327 8.210 -0.300 0.000 0.480 233 Y N 3.824 123.754 120.300 -0.617 0.000 2.665 233 Y HA 0.305 nan 4.550 nan 0.000 0.336 233 Y C -1.992 173.502 175.900 -0.676 0.000 1.085 233 Y CA -1.697 55.922 58.100 -0.802 0.000 1.096 233 Y CB 4.552 42.068 38.460 -1.572 0.000 1.301 233 Y HN 0.548 8.462 8.280 -0.610 0.000 0.493 234 W N -3.489 117.617 121.300 -0.323 0.000 3.107 234 W HA 0.696 nan 4.660 nan 0.000 0.331 234 W C -2.093 174.555 176.519 0.214 0.000 1.204 234 W CA -2.074 55.232 57.345 -0.065 0.000 1.184 234 W CB 3.149 32.580 29.460 -0.048 0.000 1.421 234 W HN -0.013 7.870 8.180 -0.494 0.000 0.544 235 T N 2.695 117.595 114.554 0.576 0.000 2.921 235 T HA 0.323 nan 4.350 nan 0.000 0.297 235 T C -1.871 173.139 174.700 0.516 0.000 1.013 235 T CA -0.385 61.978 62.100 0.438 0.000 0.990 235 T CB 2.763 71.920 68.868 0.482 0.000 1.023 235 T HN 0.677 9.329 8.240 0.686 0.000 0.447 236 I N 5.067 125.887 120.570 0.416 0.000 2.392 236 I HA 0.672 nan 4.170 nan 0.000 0.295 236 I C -0.755 175.532 176.117 0.284 0.000 0.985 236 I CA -0.467 61.057 61.300 0.375 0.000 1.221 236 I CB 1.776 39.984 38.000 0.347 0.000 1.366 236 I HN 0.180 8.573 8.210 0.306 0.000 0.467 237 V N 7.975 128.053 119.914 0.273 0.000 2.384 237 V HA 0.268 nan 4.120 nan 0.000 0.287 237 V C -1.017 175.140 176.094 0.104 0.000 1.020 237 V CA -1.737 60.678 62.300 0.191 0.000 0.850 237 V CB 1.291 33.272 31.823 0.264 0.000 0.987 237 V HN 0.915 9.168 8.190 0.283 0.107 0.436 238 K N 6.884 127.324 120.400 0.066 0.000 2.107 238 K HA 0.412 nan 4.320 nan 0.000 0.251 238 K C -2.160 174.427 176.600 -0.021 0.000 1.012 238 K CA -2.005 54.302 56.287 0.032 0.000 0.920 238 K CB -0.031 32.490 32.500 0.035 0.000 1.033 238 K HN 0.251 8.541 8.250 0.066 0.000 0.478 239 P HA -0.203 nan 4.420 nan 0.000 0.268 239 P C -0.600 176.657 177.300 -0.073 0.000 1.204 239 P CA 0.941 63.976 63.100 -0.108 0.000 0.768 239 P CB -0.232 31.403 31.700 -0.108 0.000 0.842 240 G N 3.904 112.653 108.800 -0.086 0.000 2.253 240 G HA2 -0.517 nan 3.960 nan 0.000 0.251 240 G HA3 -0.517 nan 3.960 nan 0.000 0.251 240 G C -0.869 174.004 174.900 -0.046 0.000 0.998 240 G CA 0.211 45.275 45.100 -0.061 0.000 0.621 240 G HN 0.332 8.552 8.290 -0.118 0.000 0.524 241 D N -0.304 120.074 120.400 -0.036 0.000 2.453 241 D HA 0.267 nan 4.640 nan 0.000 0.282 241 D C -1.552 174.734 176.300 -0.025 0.000 1.222 241 D CA -0.423 53.565 54.000 -0.020 0.000 1.079 241 D CB 2.795 43.596 40.800 0.001 0.000 1.128 241 D HN -0.636 7.637 8.370 -0.042 0.072 0.568 242 V N -2.190 117.713 119.914 -0.018 0.000 2.969 242 V HA 0.406 nan 4.120 nan 0.000 0.304 242 V C -2.060 174.014 176.094 -0.034 0.000 1.192 242 V CA -1.607 60.675 62.300 -0.030 0.000 0.962 242 V CB 3.366 35.165 31.823 -0.040 0.000 1.045 242 V HN -0.202 7.982 8.190 -0.010 0.000 0.428 243 L N 8.430 129.620 121.223 -0.056 0.000 2.307 243 L HA 0.582 nan 4.340 nan 0.000 0.282 243 L C -1.862 174.956 176.870 -0.085 0.000 1.051 243 L CA -0.810 53.969 54.840 -0.102 0.000 0.804 243 L CB 2.788 44.700 42.059 -0.245 0.000 1.197 243 L HN 0.369 8.460 8.230 -0.054 0.107 0.431 244 V N 7.517 127.377 119.914 -0.090 0.000 2.531 244 V HA 0.567 nan 4.120 nan 0.000 0.301 244 V C -1.539 174.494 176.094 -0.102 0.000 1.034 244 V CA -1.144 61.112 62.300 -0.072 0.000 0.865 244 V CB 2.343 34.130 31.823 -0.061 0.000 0.995 244 V HN 0.639 8.768 8.190 -0.102 0.000 0.424 245 I N 7.295 127.827 120.570 -0.063 0.000 2.378 245 I HA 0.575 nan 4.170 nan 0.000 0.291 245 I C -2.272 173.833 176.117 -0.021 0.000 0.992 245 I CA -1.023 60.220 61.300 -0.095 0.000 1.154 245 I CB 2.087 40.087 38.000 -0.001 0.000 1.315 245 I HN 0.564 8.767 8.210 -0.012 0.000 0.448 246 N N 8.062 126.719 118.700 -0.072 0.000 2.430 246 N HA 0.535 nan 4.740 nan 0.000 0.290 246 N C -2.547 172.943 175.510 -0.033 0.000 1.063 246 N CA -0.533 52.505 53.050 -0.020 0.000 0.883 246 N CB 3.422 41.885 38.487 -0.039 0.000 1.465 246 N HN 0.623 8.910 8.380 -0.155 0.000 0.493 247 S N 3.466 119.184 115.700 0.029 0.000 2.579 247 S HA 0.562 nan 4.470 nan 0.000 0.272 247 S C -2.581 172.059 174.600 0.067 0.000 1.141 247 S CA -1.249 56.955 58.200 0.006 0.000 0.843 247 S CB 2.976 66.170 63.200 -0.011 0.000 1.122 247 S HN 0.677 8.931 8.310 0.086 0.108 0.468 248 N N 2.895 121.582 118.700 -0.023 0.000 2.241 248 N HA 0.291 nan 4.740 nan 0.000 0.238 248 N C -1.037 174.318 175.510 -0.259 0.000 1.244 248 N CA -1.426 51.609 53.050 -0.025 0.000 0.880 248 N CB 2.314 40.792 38.487 -0.016 0.000 1.179 248 N HN -0.160 8.168 8.380 -0.087 0.000 0.513 249 G N -1.300 107.196 108.800 -0.506 0.000 2.307 249 G HA2 -0.117 nan 3.960 nan 0.000 0.348 249 G HA3 -0.117 nan 3.960 nan 0.000 0.348 249 G C -1.804 172.683 174.900 -0.688 0.000 1.603 249 G CA 0.008 44.586 45.100 -0.871 0.000 0.961 249 G HN -0.503 7.541 8.290 -0.303 0.064 0.686 250 N N -3.961 114.067 118.700 -1.120 0.000 2.909 250 N HA -0.460 nan 4.740 nan 0.000 0.242 250 N C -0.929 174.329 175.510 -0.421 0.000 0.975 250 N CA 1.764 54.202 53.050 -1.020 0.000 0.921 250 N CB -0.631 37.481 38.487 -0.624 0.000 1.112 250 N HN 0.493 7.992 8.380 -1.469 0.000 0.581 251 L N -0.138 120.942 121.223 -0.239 0.000 2.410 251 L HA 0.130 nan 4.340 nan 0.000 0.273 251 L C -1.675 175.148 176.870 -0.079 0.000 1.144 251 L CA 0.766 55.539 54.840 -0.112 0.000 0.863 251 L CB 0.608 42.601 42.059 -0.110 0.000 1.140 251 L HN -0.810 7.235 8.230 -0.229 0.047 0.463 252 I N 7.672 128.219 120.570 -0.038 0.000 2.287 252 I HA 0.233 nan 4.170 nan 0.000 0.290 252 I C -1.258 174.872 176.117 0.022 0.000 1.069 252 I CA -2.514 58.772 61.300 -0.023 0.000 1.237 252 I CB -1.763 36.242 38.000 0.009 0.000 1.418 252 I HN 0.273 8.399 8.210 0.028 0.101 0.481 253 A N 9.062 131.811 122.820 -0.119 0.000 2.340 253 A HA 0.481 nan 4.320 nan 0.000 0.268 253 A C -2.619 174.976 177.584 0.018 0.000 1.100 253 A CA -2.665 49.262 52.037 -0.184 0.000 0.803 253 A CB 0.069 18.652 19.000 -0.694 0.000 1.043 253 A HN 0.858 8.901 8.150 -0.178 0.000 0.488 254 P HA 0.172 nan 4.420 nan 0.000 0.275 254 P C -0.659 176.772 177.300 0.218 0.000 1.228 254 P CA -0.228 63.013 63.100 0.235 0.000 0.786 254 P CB 0.659 32.588 31.700 0.382 0.000 0.927 255 R N -0.921 119.843 120.500 0.441 0.000 2.334 255 R HA 0.152 nan 4.340 nan 0.000 0.216 255 R C -0.445 176.205 176.300 0.583 0.000 0.905 255 R CA 0.423 56.836 56.100 0.521 0.000 1.064 255 R CB 1.105 31.696 30.300 0.486 0.000 1.046 255 R HN -0.198 8.368 8.270 0.494 0.000 0.508 256 G N -3.182 105.950 108.800 0.552 0.000 2.404 256 G HA2 0.162 nan 3.960 nan 0.000 0.253 256 G HA3 0.162 nan 3.960 nan 0.000 0.253 256 G C -3.093 171.780 174.900 -0.045 0.000 1.253 256 G CA 0.279 45.460 45.100 0.135 0.000 0.917 256 G HN -0.511 8.113 8.290 0.648 0.054 0.480 257 Y N -4.599 115.314 120.300 -0.646 0.000 2.545 257 Y HA 0.928 nan 4.550 nan 0.000 0.348 257 Y C -1.926 173.669 175.900 -0.509 0.000 1.002 257 Y CA -3.308 54.466 58.100 -0.543 0.000 1.039 257 Y CB 2.701 40.754 38.460 -0.678 0.000 1.271 257 Y HN -0.166 7.393 8.280 -1.202 0.000 0.467 258 F N 0.974 121.010 119.950 0.143 0.000 2.394 258 F HA 0.427 nan 4.527 nan 0.000 0.340 258 F C -0.666 175.256 175.800 0.204 0.000 1.105 258 F CA -0.579 57.518 58.000 0.160 0.000 1.124 258 F CB 1.794 40.902 39.000 0.179 0.000 1.145 258 F HN 0.539 9.154 8.300 0.524 0.000 0.505 259 K N 1.284 121.837 120.400 0.255 0.000 2.143 259 K HA 0.588 nan 4.320 nan 0.000 0.272 259 K C -0.868 175.788 176.600 0.094 0.000 1.001 259 K CA -1.163 55.234 56.287 0.184 0.000 0.915 259 K CB 1.247 33.706 32.500 -0.068 0.000 1.047 259 K HN 0.003 8.344 8.250 0.153 0.000 0.458 260 M N 3.393 123.043 119.600 0.082 0.000 2.367 260 M HA 0.242 nan 4.480 nan 0.000 0.339 260 M C -0.484 175.810 176.300 -0.010 0.000 1.177 260 M CA 0.093 55.417 55.300 0.040 0.000 1.068 260 M CB 1.740 34.381 32.600 0.068 0.000 1.602 260 M HN -0.386 7.978 8.290 0.123 0.000 0.457 261 R N -1.049 119.427 120.500 -0.040 0.000 2.885 261 R HA 0.393 nan 4.340 nan 0.000 0.260 261 R C -1.075 175.201 176.300 -0.040 0.000 1.107 261 R CA -1.559 54.514 56.100 -0.046 0.000 0.978 261 R CB 2.143 32.395 30.300 -0.081 0.000 1.227 261 R HN 0.153 8.392 8.270 -0.053 0.000 0.473 262 T N 1.996 116.531 114.554 -0.030 0.000 2.815 262 T HA 0.344 nan 4.350 nan 0.000 0.289 262 T C -1.070 173.616 174.700 -0.024 0.000 1.000 262 T CA -0.289 61.800 62.100 -0.019 0.000 0.958 262 T CB 0.333 69.200 68.868 -0.001 0.000 0.944 262 T HN 0.162 8.383 8.240 -0.032 0.000 0.442 263 G N 4.436 113.222 108.800 -0.023 0.000 2.664 263 G HA2 0.289 nan 3.960 nan 0.000 0.303 263 G HA3 0.289 nan 3.960 nan 0.000 0.303 263 G C -1.689 173.216 174.900 0.007 0.000 1.243 263 G CA 0.403 45.495 45.100 -0.014 0.000 0.826 263 G HN 0.037 8.314 8.290 -0.022 0.000 0.498 264 K N -0.565 119.854 120.400 0.033 0.000 2.446 264 K HA 0.168 nan 4.320 nan 0.000 0.203 264 K C 0.101 176.808 176.600 0.178 0.000 1.027 264 K CA -0.020 56.308 56.287 0.069 0.000 1.166 264 K CB -0.338 32.197 32.500 0.058 0.000 0.869 264 K HN 0.333 8.601 8.250 0.030 0.000 0.504 265 S N 1.327 117.099 115.700 0.120 0.000 2.603 265 S HA 0.092 nan 4.470 nan 0.000 0.268 265 S C -0.418 174.333 174.600 0.252 0.000 1.317 265 S CA 0.863 59.164 58.200 0.168 0.000 1.012 265 S CB 0.601 63.768 63.200 -0.055 0.000 0.926 265 S HN -0.436 7.831 8.310 0.039 0.067 0.539 266 S N 0.404 116.285 115.700 0.302 0.000 2.727 266 S HA 0.322 nan 4.470 nan 0.000 0.278 266 S C -2.377 172.314 174.600 0.150 0.000 1.186 266 S CA -1.199 57.136 58.200 0.225 0.000 0.836 266 S CB 1.910 65.288 63.200 0.295 0.000 1.186 266 S HN 0.159 8.653 8.310 0.308 0.000 0.499 267 I N -0.393 120.208 120.570 0.051 0.000 2.934 267 I HA 0.744 nan 4.170 nan 0.000 0.306 267 I C -2.328 173.779 176.117 -0.017 0.000 1.110 267 I CA -2.145 59.142 61.300 -0.020 0.000 1.019 267 I CB 3.924 41.859 38.000 -0.108 0.000 1.227 267 I HN -0.062 8.184 8.210 0.060 0.000 0.434 268 M N 6.066 125.653 119.600 -0.021 0.000 2.421 268 M HA 0.366 nan 4.480 nan 0.000 0.287 268 M C -2.435 173.857 176.300 -0.013 0.000 1.183 268 M CA -0.564 54.726 55.300 -0.017 0.000 0.916 268 M CB 4.376 36.957 32.600 -0.031 0.000 1.701 268 M HN 0.784 9.070 8.290 -0.006 0.000 0.470 269 R N 3.982 124.476 120.500 -0.010 0.000 2.265 269 R HA 0.693 nan 4.340 nan 0.000 0.319 269 R C -1.331 174.963 176.300 -0.010 0.000 1.006 269 R CA -0.372 55.723 56.100 -0.008 0.000 0.880 269 R CB 1.253 31.548 30.300 -0.008 0.000 1.077 269 R HN 0.346 8.610 8.270 -0.009 0.000 0.454 270 S N 3.284 118.977 115.700 -0.012 0.000 2.560 270 S HA 0.152 nan 4.470 nan 0.000 0.283 270 S C -1.512 173.082 174.600 -0.010 0.000 1.141 270 S CA -0.391 57.803 58.200 -0.010 0.000 0.902 270 S CB 1.938 65.131 63.200 -0.013 0.000 1.104 270 S HN 0.524 8.826 8.310 -0.013 0.000 0.454 271 D N 6.588 126.986 120.400 -0.004 0.000 2.368 271 D HA 0.143 nan 4.640 nan 0.000 0.218 271 D C -0.249 176.050 176.300 -0.001 0.000 1.112 271 D CA -0.036 53.963 54.000 -0.001 0.000 0.834 271 D CB 0.182 40.984 40.800 0.003 0.000 0.953 271 D HN 0.351 8.720 8.370 -0.001 0.000 0.505 272 A N 1.685 124.505 122.820 -0.001 0.000 2.445 272 A HA 0.147 nan 4.320 nan 0.000 0.242 272 A C -2.083 175.500 177.584 -0.002 0.000 1.075 272 A CA -1.043 50.995 52.037 0.002 0.000 0.777 272 A CB -0.389 18.615 19.000 0.006 0.000 1.013 272 A HN -0.474 7.609 8.150 -0.003 0.065 0.493 273 P HA 0.107 nan 4.420 nan 0.000 0.275 273 P C -1.387 175.912 177.300 -0.001 0.000 1.227 273 P CA -0.103 62.997 63.100 0.000 0.000 0.781 273 P CB 0.597 32.299 31.700 0.004 0.000 0.906 274 I N 0.788 121.355 120.570 -0.005 0.000 2.499 274 I HA 0.391 nan 4.170 nan 0.000 0.296 274 I C -0.494 175.625 176.117 0.003 0.000 0.992 274 I CA 0.047 61.346 61.300 -0.002 0.000 1.297 274 I CB 1.660 39.653 38.000 -0.011 0.000 1.410 274 I HN 0.042 8.248 8.210 -0.007 0.000 0.507 275 D N 5.567 125.972 120.400 0.008 0.000 2.610 275 D HA 0.282 nan 4.640 nan 0.000 0.271 275 D C -2.004 174.303 176.300 0.011 0.000 1.174 275 D CA -1.999 52.007 54.000 0.009 0.000 0.949 275 D CB 4.476 45.283 40.800 0.011 0.000 1.430 275 D HN 0.300 8.677 8.370 0.012 0.000 0.467 276 T N 1.536 116.096 114.554 0.009 0.000 2.753 276 T HA 0.443 nan 4.350 nan 0.000 0.297 276 T C -0.794 173.912 174.700 0.010 0.000 0.981 276 T CA -0.359 61.747 62.100 0.009 0.000 0.956 276 T CB -0.672 68.200 68.868 0.006 0.000 0.936 276 T HN 0.102 8.347 8.240 0.008 0.000 0.463 277 c N 4.154 122.761 118.600 0.013 0.000 3.231 277 c HA 0.340 nan 4.570 nan 0.000 0.343 277 c C -2.361 171.737 174.090 0.013 0.000 1.349 277 c CA -1.776 54.560 56.329 0.013 0.000 1.209 277 c CB 2.764 45.284 42.510 0.016 0.000 1.475 277 c HN 0.060 8.443 8.230 0.014 -0.144 0.460 278 I N -1.888 118.688 120.570 0.010 0.000 2.412 278 I HA 0.552 nan 4.170 nan 0.000 0.296 278 I C -1.803 174.324 176.117 0.016 0.000 0.987 278 I CA -1.644 59.659 61.300 0.005 0.000 1.180 278 I CB 2.153 40.148 38.000 -0.008 0.000 1.340 278 I HN -0.028 8.187 8.210 0.010 0.000 0.455 279 S N 5.970 121.686 115.700 0.028 0.000 2.562 279 S HA 0.194 nan 4.470 nan 0.000 0.274 279 S C -1.169 173.480 174.600 0.082 0.000 1.160 279 S CA -0.411 57.820 58.200 0.051 0.000 0.933 279 S CB 1.318 64.557 63.200 0.065 0.000 1.100 279 S HN 0.380 8.602 8.310 0.025 0.103 0.468 280 E N 6.121 126.372 120.200 0.084 0.000 2.112 280 E HA -0.014 nan 4.350 nan 0.000 0.190 280 E C -0.560 176.197 176.600 0.261 0.000 0.979 280 E CA 2.407 58.900 56.400 0.156 0.000 0.814 280 E CB 0.660 30.420 29.700 0.100 0.000 0.762 280 E HN 0.352 8.747 8.360 0.059 0.000 0.460 281 c N -0.559 118.137 118.600 0.160 0.000 2.285 281 c HA 0.545 nan 4.570 nan 0.000 0.335 281 c C -1.160 173.015 174.090 0.143 0.000 1.267 281 c CA -1.463 54.949 56.329 0.138 0.000 1.762 281 c CB -0.432 42.131 42.510 0.089 0.000 2.365 281 c HN -0.413 7.889 8.230 0.121 0.000 0.527 282 I N 9.377 130.042 120.570 0.159 0.000 2.493 282 I HA 0.253 nan 4.170 nan 0.000 0.298 282 I C -1.651 174.528 176.117 0.103 0.000 0.998 282 I CA -0.755 60.622 61.300 0.128 0.000 1.137 282 I CB 3.696 41.773 38.000 0.129 0.000 1.310 282 I HN 0.819 9.133 8.210 0.174 0.000 0.445 283 T N 6.032 120.630 114.554 0.073 0.000 2.909 283 T HA 0.450 nan 4.350 nan 0.000 0.299 283 T C -1.385 173.338 174.700 0.038 0.000 1.073 283 T CA -2.475 59.660 62.100 0.058 0.000 0.999 283 T CB 2.125 71.031 68.868 0.064 0.000 1.098 283 T HN -0.225 8.055 8.240 0.066 0.000 0.477 284 P HA -0.033 nan 4.420 nan 0.000 0.225 284 P C 0.066 177.375 177.300 0.015 0.000 1.148 284 P CA 1.776 64.883 63.100 0.012 0.000 0.779 284 P CB 0.197 31.899 31.700 0.003 0.000 0.780 285 N N -1.980 116.734 118.700 0.024 0.000 2.449 285 N HA -0.081 nan 4.740 nan 0.000 0.191 285 N C -0.549 174.978 175.510 0.028 0.000 1.161 285 N CA 0.187 53.253 53.050 0.026 0.000 0.863 285 N CB -0.343 38.164 38.487 0.034 0.000 0.980 285 N HN 0.114 8.492 8.380 0.027 0.018 0.458 286 G N -3.185 105.633 108.800 0.030 0.000 2.555 286 G HA2 -0.255 nan 3.960 nan 0.000 0.686 286 G HA3 -0.255 nan 3.960 nan 0.000 0.686 286 G C -0.698 174.229 174.900 0.045 0.000 1.275 286 G CA -0.769 44.350 45.100 0.033 0.000 0.871 286 G HN -0.356 7.773 8.290 0.029 0.179 0.603 287 S N 2.297 118.027 115.700 0.049 0.000 2.579 287 S HA 0.429 nan 4.470 nan 0.000 0.275 287 S C -0.544 174.089 174.600 0.055 0.000 1.345 287 S CA 2.004 60.240 58.200 0.061 0.000 1.031 287 S CB 0.688 63.926 63.200 0.063 0.000 0.892 287 S HN 0.272 8.501 8.310 0.043 0.107 0.529 288 I N -4.691 115.916 120.570 0.061 0.000 2.865 288 I HA 0.737 nan 4.170 nan 0.000 0.302 288 I C -2.682 173.464 176.117 0.048 0.000 1.140 288 I CA -4.053 57.279 61.300 0.053 0.000 1.021 288 I CB 2.721 40.757 38.000 0.059 0.000 1.233 288 I HN -0.283 7.970 8.210 0.071 0.000 0.427 289 P HA 0.087 nan 4.420 nan 0.000 0.280 289 P C -1.062 176.252 177.300 0.024 0.000 1.244 289 P CA -0.228 62.889 63.100 0.029 0.000 0.784 289 P CB 0.532 32.245 31.700 0.021 0.000 0.913 290 N N 1.613 120.324 118.700 0.018 0.000 2.376 290 N HA -0.041 nan 4.740 nan 0.000 0.249 290 N C -0.572 174.930 175.510 -0.014 0.000 1.140 290 N CA -0.257 52.796 53.050 0.006 0.000 0.870 290 N CB -1.159 37.335 38.487 0.012 0.000 1.124 290 N HN 0.319 8.711 8.380 0.020 0.000 0.505 291 D N -2.929 117.464 120.400 -0.012 0.000 2.162 291 D HA -0.178 nan 4.640 nan 0.000 0.203 291 D C 0.119 176.394 176.300 -0.041 0.000 0.967 291 D CA 1.117 55.104 54.000 -0.021 0.000 0.840 291 D CB -0.295 40.499 40.800 -0.010 0.000 0.972 291 D HN 0.134 8.419 8.370 -0.002 0.084 0.482 292 K N 0.012 120.387 120.400 -0.040 0.000 2.185 292 K HA 0.211 nan 4.320 nan 0.000 0.271 292 K C -1.129 175.382 176.600 -0.148 0.000 1.013 292 K CA -1.798 54.448 56.287 -0.067 0.000 0.943 292 K CB 0.480 32.967 32.500 -0.022 0.000 0.998 292 K HN -0.324 7.913 8.250 -0.022 0.000 0.468 293 P HA 0.003 nan 4.420 nan 0.000 0.221 293 P C -1.165 175.685 177.300 -0.751 0.000 1.150 293 P CA 1.372 64.111 63.100 -0.602 0.000 0.800 293 P CB 0.692 31.865 31.700 -0.878 0.000 0.787 294 F N -2.970 116.974 119.950 -0.010 0.000 2.593 294 F HA 0.640 nan 4.527 nan 0.000 0.320 294 F C -2.112 173.672 175.800 -0.026 0.000 1.060 294 F CA -2.120 55.865 58.000 -0.024 0.000 0.940 294 F CB 3.447 42.418 39.000 -0.049 0.000 1.268 294 F HN -0.382 7.786 8.300 -0.166 0.032 0.475 295 Q N -0.779 119.113 119.800 0.153 0.000 2.456 295 Q HA 0.581 nan 4.340 nan 0.000 0.284 295 Q C -1.924 174.068 176.000 -0.013 0.000 1.061 295 Q CA -1.449 54.405 55.803 0.085 0.000 0.799 295 Q CB 3.091 31.896 28.738 0.112 0.000 1.445 295 Q HN 0.711 8.987 8.270 0.169 0.095 0.411 296 N N -0.388 118.312 118.700 0.000 0.000 2.241 296 N HA 0.309 nan 4.740 nan 0.000 0.238 296 N C 1.068 176.678 175.510 0.167 0.000 1.244 296 N CA -0.543 52.467 53.050 -0.067 0.000 0.880 296 N CB 1.695 40.125 38.487 -0.094 0.000 1.179 296 N HN 0.267 8.674 8.380 0.045 0.000 0.513 297 V N 1.680 121.713 119.914 0.198 0.000 2.273 297 V HA -0.128 nan 4.120 nan 0.000 0.242 297 V C 0.135 176.351 176.094 0.204 0.000 1.035 297 V CA 2.528 64.928 62.300 0.167 0.000 1.013 297 V CB 0.125 32.017 31.823 0.116 0.000 0.652 297 V HN 0.199 8.781 8.190 0.193 -0.276 0.452 298 N N -2.829 115.998 118.700 0.212 0.000 2.446 298 N HA 0.216 nan 4.740 nan 0.000 0.272 298 N C -1.663 173.757 175.510 -0.149 0.000 1.127 298 N CA -0.517 52.548 53.050 0.025 0.000 0.896 298 N CB 2.461 40.953 38.487 0.007 0.000 1.658 298 N HN -0.651 8.120 8.380 0.264 -0.232 0.483 299 K N -0.516 119.545 120.400 -0.566 0.000 2.486 299 K HA -0.102 nan 4.320 nan 0.000 0.194 299 K C 0.367 176.846 176.600 -0.201 0.000 1.033 299 K CA 0.979 56.906 56.287 -0.599 0.000 1.004 299 K CB -0.018 32.048 32.500 -0.724 0.000 0.798 299 K HN 0.301 8.238 8.250 -0.522 0.000 0.495 300 I N 2.933 123.430 120.570 -0.122 0.000 2.312 300 I HA 0.038 nan 4.170 nan 0.000 0.291 300 I C -1.518 174.605 176.117 0.010 0.000 1.031 300 I CA -0.079 61.197 61.300 -0.041 0.000 1.293 300 I CB -0.130 37.850 38.000 -0.033 0.000 1.403 300 I HN -0.379 8.026 8.210 -0.137 -0.278 0.484 301 T N 4.835 119.410 114.554 0.036 0.000 2.883 301 T HA 0.525 nan 4.350 nan 0.000 0.296 301 T C -2.220 172.544 174.700 0.108 0.000 1.117 301 T CA -2.202 59.939 62.100 0.070 0.000 1.006 301 T CB 3.013 71.918 68.868 0.062 0.000 1.191 301 T HN 0.049 8.305 8.240 0.026 0.000 0.508 302 Y N 1.948 122.235 120.300 -0.022 0.000 2.421 302 Y HA 0.311 nan 4.550 nan 0.000 0.339 302 Y C -1.560 174.290 175.900 -0.084 0.000 0.996 302 Y CA -0.244 57.817 58.100 -0.065 0.000 1.046 302 Y CB 2.753 41.156 38.460 -0.096 0.000 1.226 302 Y HN 0.326 8.704 8.280 0.165 0.000 0.445 303 G N 5.729 114.202 108.800 -0.545 0.000 2.526 303 G HA2 -0.281 nan 3.960 nan 0.000 0.250 303 G HA3 -0.281 nan 3.960 nan 0.000 0.250 303 G C -2.227 172.624 174.900 -0.080 0.000 1.289 303 G CA -0.575 44.365 45.100 -0.267 0.000 0.947 303 G HN 0.060 7.928 8.290 -0.703 0.000 0.517 304 A N 1.801 124.638 122.820 0.029 0.000 2.671 304 A HA 0.218 nan 4.320 nan 0.000 0.306 304 A C -0.925 176.673 177.584 0.023 0.000 1.473 304 A CA -0.032 52.014 52.037 0.014 0.000 1.155 304 A CB -0.720 18.295 19.000 0.026 0.000 1.123 304 A HN 0.115 8.332 8.150 0.112 0.000 0.545 305 c N 3.698 122.307 118.600 0.014 0.000 2.562 305 c HA 0.387 nan 4.570 nan 0.000 0.332 305 c C -2.435 171.670 174.090 0.024 0.000 1.201 305 c CA -2.948 53.401 56.329 0.032 0.000 1.803 305 c CB 0.821 43.361 42.510 0.050 0.000 2.328 305 c HN -0.179 8.050 8.230 -0.001 0.000 0.500 306 P HA 0.051 nan 4.420 nan 0.000 0.272 306 P C -1.831 175.515 177.300 0.078 0.000 1.230 306 P CA -0.619 62.487 63.100 0.010 0.000 0.788 306 P CB 0.615 32.318 31.700 0.004 0.000 0.949 307 K N 0.653 121.116 120.400 0.105 0.000 2.339 307 K HA 0.030 nan 4.320 nan 0.000 0.286 307 K C -0.022 176.735 176.600 0.262 0.000 1.050 307 K CA -0.196 56.215 56.287 0.207 0.000 0.956 307 K CB 0.876 33.539 32.500 0.273 0.000 0.990 307 K HN 0.061 8.327 8.250 0.028 0.000 0.475 308 Y N 4.250 124.621 120.300 0.119 0.000 2.511 308 Y HA 0.017 nan 4.550 nan 0.000 0.332 308 Y C -1.238 174.706 175.900 0.072 0.000 1.177 308 Y CA 1.587 59.741 58.100 0.090 0.000 1.422 308 Y CB 0.527 39.021 38.460 0.055 0.000 1.271 308 Y HN -0.023 8.440 8.280 0.305 0.000 0.550 309 V N 7.053 126.518 119.914 -0.749 0.000 3.078 309 V HA 0.239 nan 4.120 nan 0.000 0.311 309 V C -1.127 174.551 176.094 -0.692 0.000 1.138 309 V CA -1.134 60.862 62.300 -0.506 0.000 1.007 309 V CB 3.713 35.333 31.823 -0.338 0.000 1.045 309 V HN 0.070 7.580 8.190 -1.134 0.000 0.432 310 K N 0.124 120.326 120.400 -0.330 0.000 2.116 310 K HA -0.092 nan 4.320 nan 0.000 0.203 310 K C -0.433 176.062 176.600 -0.175 0.000 1.052 310 K CA 1.358 57.529 56.287 -0.194 0.000 0.952 310 K CB 0.323 32.781 32.500 -0.069 0.000 0.729 310 K HN 0.291 8.400 8.250 -0.234 0.000 0.446 311 Q N -1.645 118.047 119.800 -0.179 0.000 2.395 311 Q HA -0.097 nan 4.340 nan 0.000 0.271 311 Q C -0.862 175.071 176.000 -0.112 0.000 1.026 311 Q CA 0.744 56.469 55.803 -0.130 0.000 0.900 311 Q CB 0.473 29.128 28.738 -0.138 0.000 1.266 311 Q HN -0.390 7.753 8.270 -0.212 0.000 0.430 312 N N -3.133 115.529 118.700 -0.064 0.000 2.220 312 N HA -0.046 nan 4.740 nan 0.000 0.195 312 N C -1.220 174.277 175.510 -0.021 0.000 1.123 312 N CA 0.240 53.266 53.050 -0.040 0.000 0.874 312 N CB 1.019 39.495 38.487 -0.019 0.000 0.995 312 N HN 0.064 8.412 8.380 -0.053 0.000 0.498 313 T N -0.435 114.105 114.554 -0.024 0.000 2.952 313 T HA 0.367 nan 4.350 nan 0.000 0.305 313 T C -2.455 172.238 174.700 -0.012 0.000 1.064 313 T CA -0.626 61.469 62.100 -0.008 0.000 1.008 313 T CB 1.337 70.203 68.868 -0.003 0.000 1.078 313 T HN -0.890 7.329 8.240 -0.035 0.000 0.459 314 L N 5.376 126.605 121.223 0.010 0.000 2.555 314 L HA 0.433 nan 4.340 nan 0.000 0.264 314 L C -1.901 174.991 176.870 0.036 0.000 0.972 314 L CA -0.090 54.758 54.840 0.012 0.000 0.876 314 L CB 3.787 45.850 42.059 0.007 0.000 1.216 314 L HN 0.659 9.284 8.230 0.027 -0.378 0.415 315 K N 3.713 124.127 120.400 0.023 0.000 2.240 315 K HA 0.509 nan 4.320 nan 0.000 0.271 315 K C -1.222 175.394 176.600 0.028 0.000 1.018 315 K CA -1.172 55.130 56.287 0.026 0.000 0.874 315 K CB 1.078 33.587 32.500 0.016 0.000 1.098 315 K HN 0.010 8.267 8.250 0.012 0.000 0.458 316 L N 5.988 127.232 121.223 0.034 0.000 2.278 316 L HA 0.056 nan 4.340 nan 0.000 0.287 316 L C -1.515 175.370 176.870 0.024 0.000 1.072 316 L CA -1.290 53.569 54.840 0.032 0.000 0.819 316 L CB 1.645 43.727 42.059 0.038 0.000 1.176 316 L HN 0.550 8.802 8.230 0.038 0.000 0.435 317 A N 6.846 129.678 122.820 0.020 0.000 2.548 317 A HA -0.084 nan 4.320 nan 0.000 0.247 317 A C -0.181 177.415 177.584 0.020 0.000 1.067 317 A CA 0.938 52.986 52.037 0.018 0.000 0.757 317 A CB 0.092 19.100 19.000 0.015 0.000 0.996 317 A HN 0.355 8.516 8.150 0.019 0.000 0.504 318 T N -0.926 113.642 114.554 0.023 0.000 3.293 318 T HA 0.273 nan 4.350 nan 0.000 0.276 318 T C -0.285 174.436 174.700 0.035 0.000 1.003 318 T CA -0.820 61.295 62.100 0.024 0.000 0.916 318 T CB -0.029 68.853 68.868 0.023 0.000 1.134 318 T HN 0.440 8.579 8.240 0.023 0.114 0.530 319 G N 1.748 110.572 108.800 0.039 0.000 2.608 319 G HA2 0.280 nan 3.960 nan 0.000 0.291 319 G HA3 0.280 nan 3.960 nan 0.000 0.291 319 G C -2.047 172.885 174.900 0.054 0.000 1.425 319 G CA 0.052 45.192 45.100 0.066 0.000 0.787 319 G HN -0.808 7.440 8.290 0.030 0.061 0.484 320 M N -2.360 117.287 119.600 0.079 0.000 2.036 320 M HA 0.139 nan 4.480 nan 0.000 0.276 320 M C -0.568 175.748 176.300 0.026 0.000 1.262 320 M CA 0.796 56.116 55.300 0.033 0.000 1.097 320 M CB 1.094 33.702 32.600 0.013 0.000 1.386 320 M HN 0.205 8.582 8.290 0.146 0.000 0.482 321 R N -1.426 119.069 120.500 -0.008 0.000 2.590 321 R HA -0.183 nan 4.340 nan 0.000 0.274 321 R C -0.819 175.498 176.300 0.029 0.000 1.061 321 R CA 0.671 56.772 56.100 0.002 0.000 1.081 321 R CB 0.556 30.848 30.300 -0.013 0.000 0.984 321 R HN 0.152 8.399 8.270 -0.039 0.000 0.448 322 N N 4.775 123.491 118.700 0.027 0.000 2.420 322 N HA -0.035 nan 4.740 nan 0.000 0.249 322 N C -0.993 174.546 175.510 0.048 0.000 1.033 322 N CA 0.125 53.193 53.050 0.030 0.000 0.944 322 N CB 0.586 39.071 38.487 -0.004 0.000 1.113 322 N HN -0.038 8.248 8.380 0.016 0.103 0.502 323 V N 6.366 126.335 119.914 0.092 0.000 2.260 323 V HA 0.309 nan 4.120 nan 0.000 0.263 323 V C -1.246 174.876 176.094 0.048 0.000 1.036 323 V CA -2.996 59.353 62.300 0.082 0.000 0.874 323 V CB -0.557 31.353 31.823 0.145 0.000 1.116 323 V HN 0.069 8.344 8.190 0.142 0.000 0.454 324 P HA 0.067 nan 4.420 nan 0.000 0.269 324 P C -0.404 176.891 177.300 -0.010 0.000 1.209 324 P CA -0.781 62.315 63.100 -0.006 0.000 0.776 324 P CB 1.318 33.012 31.700 -0.011 0.000 0.876 325 E N 4.439 124.627 120.200 -0.021 0.000 2.422 325 E HA -0.111 nan 4.350 nan 0.000 0.267 325 E C -0.593 175.997 176.600 -0.017 0.000 1.466 325 E CA -0.301 56.085 56.400 -0.025 0.000 1.767 325 E CB -1.416 28.263 29.700 -0.035 0.000 1.471 325 E HN 0.329 8.674 8.360 -0.024 0.000 0.446 326 K N -3.080 117.313 120.400 -0.012 0.000 8.034 326 K HA -0.263 nan 4.320 nan 0.000 0.201 326 K C -1.855 174.740 176.600 -0.010 0.000 1.603 326 K CA 0.222 56.503 56.287 -0.009 0.000 0.929 326 K CB -0.822 31.672 32.500 -0.009 0.000 0.413 326 K HN -0.258 7.903 8.250 -0.010 0.083 0.417 327 Q N 2.100 121.894 119.800 -0.010 0.000 3.428 327 Q HA 0.067 nan 4.340 nan 0.000 0.186 327 Q C -2.237 173.757 176.000 -0.011 0.000 0.793 327 Q CA 0.564 56.360 55.803 -0.012 0.000 0.903 327 Q CB 0.462 29.194 28.738 -0.010 0.000 1.510 327 Q HN 0.340 8.604 8.270 -0.009 0.000 0.471 328 T N 0.000 114.546 114.554 -0.013 0.000 3.816 328 T HA 0.000 nan 4.350 nan 0.000 0.228 328 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 328 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 328 T HN 0.000 8.231 8.240 -0.015 0.000 0.658