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 1hgd_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 TQNGRSNAcK 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 0.440 120.840 120.400 0.000 0.000 2.063 2 D HA 0.249 nan 4.640 nan 0.000 0.289 2 D C -0.011 176.290 176.300 0.000 0.000 1.111 2 D CA 1.120 55.120 54.000 0.000 0.000 1.023 2 D CB 0.466 41.266 40.800 0.000 0.000 1.152 2 D HN 0.240 8.610 8.370 0.000 0.000 0.465 3 L N -4.688 116.535 121.223 0.000 0.000 2.931 3 L HA 0.508 nan 4.340 nan 0.000 0.237 3 L C -2.025 174.845 176.870 0.000 0.000 1.986 3 L CA -1.228 53.612 54.840 0.000 0.000 2.186 3 L CB -0.359 41.700 42.059 0.000 0.000 2.326 3 L HN -0.336 7.894 8.230 0.000 0.000 0.575 4 P HA -0.026 nan 4.420 nan 0.000 0.262 4 P C -0.649 176.652 177.300 0.000 0.000 1.455 4 P CA -0.272 62.828 63.100 0.000 0.000 1.217 4 P CB -1.772 29.928 31.700 0.000 0.000 1.625 5 G N 3.530 112.331 108.800 0.000 0.000 2.526 5 G HA2 -0.171 nan 3.960 nan 0.000 0.293 5 G HA3 -0.171 nan 3.960 nan 0.000 0.293 5 G C -0.095 174.805 174.900 0.000 0.000 0.882 5 G CA 0.148 45.248 45.100 0.000 0.000 1.656 5 G HN 0.040 8.299 8.290 0.000 0.032 0.474 6 N N 1.710 120.410 118.700 0.000 0.000 2.356 6 N HA -0.153 nan 4.740 nan 0.000 0.178 6 N C -0.301 175.209 175.510 0.000 0.000 1.075 6 N CA 0.477 53.527 53.050 0.000 0.000 0.889 6 N CB 0.308 38.795 38.487 0.000 0.000 0.999 6 N HN -0.332 8.048 8.380 0.000 0.000 0.464 7 D N -0.171 120.229 120.400 0.000 0.000 2.357 7 D HA -0.106 nan 4.640 nan 0.000 0.265 7 D C -0.471 175.829 176.300 0.000 0.000 1.334 7 D CA 0.121 54.121 54.000 0.000 0.000 0.984 7 D CB -0.503 40.297 40.800 0.000 0.000 1.077 7 D HN -0.483 7.887 8.370 0.000 0.000 0.514 8 N N 6.444 125.144 118.700 0.000 0.000 3.243 8 N HA 0.054 nan 4.740 nan 0.000 0.310 8 N C -0.716 174.794 175.510 0.000 0.000 1.313 8 N CA 0.015 53.065 53.050 0.000 0.000 1.204 8 N CB -0.308 38.180 38.487 0.000 0.000 1.483 8 N HN -0.074 8.306 8.380 0.000 0.000 0.553 9 S N 0.575 116.275 115.700 0.000 0.000 2.766 9 S HA 0.412 nan 4.470 nan 0.000 0.307 9 S C -0.548 174.052 174.600 0.000 0.000 1.121 9 S CA -0.430 57.770 58.200 0.000 0.000 0.980 9 S CB 1.757 64.957 63.200 0.000 0.000 1.159 9 S HN -0.478 7.787 8.310 0.000 0.045 0.546 10 T N -3.998 110.556 114.554 0.000 0.000 2.888 10 T HA 0.852 nan 4.350 nan 0.000 0.288 10 T C -1.587 173.113 174.700 0.000 0.000 1.063 10 T CA -1.094 61.006 62.100 0.000 0.000 1.010 10 T CB 1.976 70.844 68.868 0.001 0.000 1.214 10 T HN 0.510 8.751 8.240 0.000 0.000 0.533 11 A N -0.705 122.116 122.820 0.000 0.000 2.532 11 A HA 0.438 nan 4.320 nan 0.000 0.290 11 A C -1.161 176.424 177.584 0.000 0.000 1.143 11 A CA -0.357 51.680 52.037 0.000 0.000 0.728 11 A CB 1.498 20.498 19.000 0.000 0.000 1.317 11 A HN -0.065 8.085 8.150 0.001 0.000 0.414 12 T N 1.668 116.223 114.554 0.000 0.000 2.848 12 T HA 0.259 nan 4.350 nan 0.000 0.285 12 T C -1.229 173.471 174.700 0.000 0.000 0.995 12 T CA 0.212 62.312 62.100 0.000 0.000 0.970 12 T CB 0.985 69.853 68.868 -0.000 0.000 0.976 12 T HN -0.116 8.124 8.240 -0.000 0.000 0.441 13 L N 4.876 126.100 121.223 0.001 0.000 2.381 13 L HA 0.333 nan 4.340 nan 0.000 0.274 13 L C -0.750 176.121 176.870 0.002 0.000 0.988 13 L CA 0.056 54.897 54.840 0.001 0.000 0.824 13 L CB 1.550 43.610 42.059 0.002 0.000 1.263 13 L HN 0.082 8.313 8.230 0.001 0.000 0.410 14 C N 4.338 123.639 119.300 0.001 0.000 2.455 14 C HA 0.320 nan 4.460 nan 0.000 0.320 14 C C -0.464 174.527 174.990 0.003 0.000 1.226 14 C CA -0.733 58.286 59.018 0.001 0.000 1.569 14 C CB 1.238 28.976 27.740 -0.003 0.000 2.200 14 C HN 0.181 8.410 8.230 -0.001 0.000 0.491 15 L N 2.773 124.001 121.223 0.009 0.000 2.343 15 L HA 0.308 nan 4.340 nan 0.000 0.275 15 L C 0.404 177.285 176.870 0.019 0.000 1.056 15 L CA 0.250 55.099 54.840 0.016 0.000 0.804 15 L CB 0.900 42.973 42.059 0.022 0.000 1.203 15 L HN 0.363 8.599 8.230 0.011 0.000 0.440 16 G N 0.013 108.825 108.800 0.020 0.000 2.663 16 G HA2 0.140 nan 3.960 nan 0.000 0.299 16 G HA3 0.140 nan 3.960 nan 0.000 0.299 16 G C -2.117 172.810 174.900 0.045 0.000 1.372 16 G CA -0.166 44.932 45.100 -0.003 0.000 0.781 16 G HN 0.142 8.445 8.290 0.022 0.000 0.491 17 H N -2.608 116.482 119.070 0.033 0.000 2.907 17 H HA 0.459 nan 4.556 nan 0.000 0.361 17 H C -1.227 174.176 175.328 0.125 0.000 1.194 17 H CA -0.884 55.192 56.048 0.046 0.000 1.152 17 H CB 1.049 30.843 29.762 0.054 0.000 1.867 17 H HN 0.439 8.434 8.280 -0.475 0.000 0.561 18 H N -0.133 119.006 119.070 0.115 0.000 2.548 18 H HA 0.184 nan 4.556 nan 0.000 0.366 18 H C -1.642 173.738 175.328 0.086 0.000 1.433 18 H CA -0.829 55.248 56.048 0.047 0.000 1.443 18 H CB 0.736 30.528 29.762 0.050 0.000 1.594 18 H HN 0.379 8.818 8.280 0.266 0.000 0.608 19 A N -2.316 120.480 122.820 -0.041 0.000 2.612 19 A HA 0.262 nan 4.320 nan 0.000 0.293 19 A C -2.233 175.245 177.584 -0.178 0.000 1.075 19 A CA -0.539 51.432 52.037 -0.110 0.000 0.680 19 A CB 2.513 21.498 19.000 -0.026 0.000 1.279 19 A HN -0.014 8.119 8.150 -0.029 0.000 0.411 20 V N -3.914 115.906 119.914 -0.157 0.000 2.960 20 V HA 0.558 nan 4.120 nan 0.000 0.315 20 V C -2.248 173.808 176.094 -0.063 0.000 1.087 20 V CA -3.212 59.018 62.300 -0.117 0.000 0.982 20 V CB 2.466 34.212 31.823 -0.130 0.000 1.039 20 V HN 0.702 9.226 8.190 -0.122 -0.407 0.437 21 P HA -0.018 nan 4.420 nan 0.000 0.216 21 P C -0.710 176.576 177.300 -0.024 0.000 1.153 21 P CA 1.932 65.015 63.100 -0.028 0.000 0.844 21 P CB 0.257 31.944 31.700 -0.022 0.000 0.787 22 N N -0.965 117.719 118.700 -0.026 0.000 2.242 22 N HA -0.133 nan 4.740 nan 0.000 0.198 22 N C 0.288 175.785 175.510 -0.021 0.000 1.042 22 N CA 0.669 53.708 53.050 -0.020 0.000 0.964 22 N CB -0.155 38.321 38.487 -0.017 0.000 1.156 22 N HN 0.036 8.397 8.380 -0.031 0.000 0.503 23 G N -0.539 108.247 108.800 -0.024 0.000 2.692 23 G HA2 -0.337 nan 3.960 nan 0.000 0.686 23 G HA3 -0.337 nan 3.960 nan 0.000 0.686 23 G C -1.677 173.217 174.900 -0.010 0.000 1.243 23 G CA -0.311 44.777 45.100 -0.020 0.000 0.782 23 G HN -0.267 8.009 8.290 -0.024 0.000 0.625 24 T N 1.892 116.442 114.554 -0.006 0.000 2.900 24 T HA 0.248 nan 4.350 nan 0.000 0.295 24 T C -1.053 173.647 174.700 -0.001 0.000 1.044 24 T CA -0.828 61.271 62.100 -0.002 0.000 0.995 24 T CB 2.807 71.675 68.868 0.001 0.000 1.072 24 T HN 0.262 8.498 8.240 -0.006 0.000 0.473 25 L N 4.710 125.933 121.223 -0.000 0.000 2.326 25 L HA 0.719 nan 4.340 nan 0.000 0.278 25 L C -1.011 175.859 176.870 0.000 0.000 1.092 25 L CA -0.251 54.589 54.840 -0.000 0.000 0.810 25 L CB 0.517 42.575 42.059 -0.002 0.000 1.153 25 L HN 0.166 8.396 8.230 -0.001 0.000 0.439 26 V N -2.438 117.477 119.914 0.000 0.000 3.078 26 V HA 0.575 nan 4.120 nan 0.000 0.311 26 V C -1.854 174.239 176.094 -0.002 0.000 1.138 26 V CA -3.191 59.110 62.300 0.001 0.000 1.007 26 V CB 3.646 35.471 31.823 0.004 0.000 1.045 26 V HN 0.823 9.013 8.190 0.000 0.000 0.432 27 K N 1.098 121.496 120.400 -0.004 0.000 2.098 27 K HA 0.682 nan 4.320 nan 0.000 0.257 27 K C -0.267 176.330 176.600 -0.005 0.000 0.999 27 K CA -0.043 56.240 56.287 -0.007 0.000 0.924 27 K CB 1.360 33.853 32.500 -0.012 0.000 1.028 27 K HN 0.379 8.627 8.250 -0.003 0.000 0.466 28 T N 0.616 115.166 114.554 -0.006 0.000 2.787 28 T HA 0.294 nan 4.350 nan 0.000 0.297 28 T C -0.325 174.372 174.700 -0.006 0.000 1.221 28 T CA -0.797 61.301 62.100 -0.004 0.000 1.006 28 T CB 2.041 70.907 68.868 -0.003 0.000 1.328 28 T HN 0.264 8.499 8.240 -0.007 0.000 0.509 29 I N 1.022 121.589 120.570 -0.005 0.000 2.252 29 I HA -0.074 nan 4.170 nan 0.000 0.245 29 I C 1.317 177.431 176.117 -0.005 0.000 1.102 29 I CA 2.075 63.371 61.300 -0.005 0.000 1.385 29 I CB -0.778 37.220 38.000 -0.004 0.000 1.064 29 I HN 0.225 8.433 8.210 -0.004 0.000 0.414 30 T N -5.856 108.695 114.554 -0.005 0.000 3.022 30 T HA 0.143 nan 4.350 nan 0.000 0.250 30 T C -0.567 174.130 174.700 -0.004 0.000 1.060 30 T CA 0.330 62.427 62.100 -0.004 0.000 1.013 30 T CB 0.388 69.254 68.868 -0.003 0.000 0.982 30 T HN -0.159 8.078 8.240 -0.004 0.000 0.508 31 D N 0.113 120.511 120.400 -0.005 0.000 2.601 31 D HA 0.230 nan 4.640 nan 0.000 0.230 31 D C -1.071 175.225 176.300 -0.006 0.000 1.106 31 D CA -1.024 52.973 54.000 -0.004 0.000 0.873 31 D CB 3.362 44.160 40.800 -0.003 0.000 1.515 31 D HN -0.536 7.831 8.370 -0.005 0.000 0.468 32 D N -1.459 118.937 120.400 -0.006 0.000 2.441 32 D HA 0.078 nan 4.640 nan 0.000 0.210 32 D C -0.792 175.504 176.300 -0.006 0.000 1.102 32 D CA 0.300 54.295 54.000 -0.007 0.000 0.840 32 D CB 1.079 41.873 40.800 -0.009 0.000 0.990 32 D HN 0.080 8.446 8.370 -0.005 0.000 0.505 33 Q N -0.554 119.244 119.800 -0.005 0.000 2.414 33 Q HA 0.326 nan 4.340 nan 0.000 0.256 33 Q C -1.881 174.118 176.000 -0.002 0.000 0.974 33 Q CA -0.743 55.058 55.803 -0.003 0.000 0.723 33 Q CB 3.114 31.850 28.738 -0.003 0.000 1.281 33 Q HN -0.362 7.905 8.270 -0.004 0.000 0.470 34 I N 3.072 123.641 120.570 -0.001 0.000 2.608 34 I HA 0.276 nan 4.170 nan 0.000 0.295 34 I C -2.450 173.667 176.117 0.001 0.000 1.049 34 I CA -1.935 59.365 61.300 -0.000 0.000 1.063 34 I CB 3.885 41.885 38.000 -0.001 0.000 1.248 34 I HN 0.747 8.956 8.210 -0.002 0.000 0.424 35 E N 7.347 127.548 120.200 0.002 0.000 2.229 35 E HA 0.541 nan 4.350 nan 0.000 0.283 35 E C -1.223 175.379 176.600 0.003 0.000 1.030 35 E CA -0.504 55.896 56.400 0.001 0.000 0.836 35 E CB 1.450 31.151 29.700 0.001 0.000 1.068 35 E HN 0.104 8.466 8.360 0.002 0.000 0.401 36 V N 1.065 120.981 119.914 0.002 0.000 3.019 36 V HA 0.780 nan 4.120 nan 0.000 0.317 36 V C 0.189 176.283 176.094 -0.001 0.000 1.094 36 V CA -3.049 59.254 62.300 0.005 0.000 1.000 36 V CB 2.290 34.119 31.823 0.010 0.000 1.060 36 V HN 0.703 8.894 8.190 0.001 0.000 0.443 37 T N 3.470 118.024 114.554 0.000 0.000 2.737 37 T HA -0.283 nan 4.350 nan 0.000 0.269 37 T C -0.218 174.474 174.700 -0.013 0.000 1.040 37 T CA 4.533 66.617 62.100 -0.028 0.000 1.142 37 T CB 0.035 68.901 68.868 -0.003 0.000 0.861 37 T HN 0.741 8.991 8.240 0.017 0.000 0.456 38 N N -2.865 115.842 118.700 0.011 0.000 2.745 38 N HA 0.089 nan 4.740 nan 0.000 0.256 38 N C -2.531 172.989 175.510 0.017 0.000 1.268 38 N CA -0.226 52.833 53.050 0.014 0.000 0.887 38 N CB 2.893 41.396 38.487 0.026 0.000 1.575 38 N HN -0.513 7.848 8.380 0.018 0.030 0.496 39 A N -0.419 122.410 122.820 0.015 0.000 2.583 39 A HA 0.614 nan 4.320 nan 0.000 0.289 39 A C -2.329 175.265 177.584 0.017 0.000 1.151 39 A CA -0.998 51.048 52.037 0.016 0.000 0.695 39 A CB 3.354 22.362 19.000 0.014 0.000 1.290 39 A HN 0.153 8.311 8.150 0.013 0.000 0.419 40 T N -1.133 113.432 114.554 0.019 0.000 2.912 40 T HA 0.266 nan 4.350 nan 0.000 0.299 40 T C -2.340 172.375 174.700 0.025 0.000 1.052 40 T CA -0.998 61.113 62.100 0.019 0.000 0.996 40 T CB 2.901 71.779 68.868 0.017 0.000 1.070 40 T HN 0.387 8.535 8.240 0.021 0.104 0.465 41 E N 6.009 126.223 120.200 0.024 0.000 2.289 41 E HA 0.356 nan 4.350 nan 0.000 0.278 41 E C -0.985 175.642 176.600 0.045 0.000 1.032 41 E CA -0.618 55.801 56.400 0.032 0.000 0.854 41 E CB 0.452 30.168 29.700 0.026 0.000 1.046 41 E HN 0.295 8.667 8.360 0.020 0.000 0.409 42 L N 4.936 126.205 121.223 0.076 0.000 2.664 42 L HA 0.235 nan 4.340 nan 0.000 0.233 42 L C -1.154 175.811 176.870 0.160 0.000 1.113 42 L CA 0.041 54.950 54.840 0.116 0.000 0.896 42 L CB 1.185 43.367 42.059 0.206 0.000 1.163 42 L HN 0.531 8.807 8.230 0.077 0.000 0.497 43 V N -0.836 119.149 119.914 0.117 0.000 2.347 43 V HA 0.159 nan 4.120 nan 0.000 0.280 43 V C -1.331 174.798 176.094 0.059 0.000 1.021 43 V CA -1.801 60.561 62.300 0.104 0.000 0.847 43 V CB 0.015 31.870 31.823 0.053 0.000 0.990 43 V HN -0.585 7.935 8.190 0.081 -0.281 0.444 44 Q N 7.947 127.781 119.800 0.057 0.000 2.293 44 Q HA 0.069 nan 4.340 nan 0.000 0.263 44 Q C -0.239 175.788 176.000 0.044 0.000 1.002 44 Q CA -0.536 55.294 55.803 0.044 0.000 0.910 44 Q CB 0.762 29.526 28.738 0.043 0.000 1.185 44 Q HN 0.655 8.860 8.270 0.073 0.109 0.401 45 S N 4.832 120.554 115.700 0.037 0.000 2.846 45 S HA 0.169 nan 4.470 nan 0.000 0.249 45 S C -1.168 173.456 174.600 0.040 0.000 1.028 45 S CA -0.855 57.367 58.200 0.037 0.000 1.043 45 S CB 0.425 63.640 63.200 0.025 0.000 0.990 45 S HN 0.280 8.609 8.310 0.032 0.000 0.564 46 S N 0.001 115.725 115.700 0.040 0.000 2.540 46 S HA 0.233 nan 4.470 nan 0.000 0.275 46 S C -1.411 173.212 174.600 0.039 0.000 1.123 46 S CA -0.530 57.692 58.200 0.037 0.000 0.907 46 S CB 1.991 65.208 63.200 0.028 0.000 1.081 46 S HN -0.682 7.651 8.310 0.039 0.000 0.476 47 S N 1.750 117.474 115.700 0.039 0.000 2.690 47 S HA 0.347 nan 4.470 nan 0.000 0.291 47 S C 1.408 176.027 174.600 0.031 0.000 1.138 47 S CA -1.305 56.918 58.200 0.039 0.000 1.013 47 S CB 1.819 65.043 63.200 0.040 0.000 1.053 47 S HN -0.195 8.137 8.310 0.036 0.000 0.539 48 T N -0.016 114.556 114.554 0.031 0.000 2.904 48 T HA 0.067 nan 4.350 nan 0.000 0.267 48 T C 1.391 176.105 174.700 0.023 0.000 1.059 48 T CA 0.420 62.535 62.100 0.025 0.000 1.137 48 T CB 0.604 69.487 68.868 0.025 0.000 0.879 48 T HN 0.253 8.514 8.240 0.034 0.000 0.467 49 G N 2.080 110.895 108.800 0.025 0.000 2.179 49 G HA2 -0.341 nan 3.960 nan 0.000 0.220 49 G HA3 -0.341 nan 3.960 nan 0.000 0.220 49 G C -1.382 173.530 174.900 0.019 0.000 0.990 49 G CA -0.385 44.728 45.100 0.021 0.000 0.646 49 G HN -0.196 8.088 8.290 0.029 0.023 0.517 50 K N -0.385 120.028 120.400 0.022 0.000 2.422 50 K HA 0.345 nan 4.320 nan 0.000 0.251 50 K C -1.305 175.311 176.600 0.025 0.000 0.933 50 K CA -1.476 54.823 56.287 0.019 0.000 0.798 50 K CB 3.379 35.889 32.500 0.017 0.000 1.238 50 K HN -0.425 7.787 8.250 0.025 0.053 0.428 51 I N 3.805 124.388 120.570 0.023 0.000 2.322 51 I HA 0.046 nan 4.170 nan 0.000 0.292 51 I C -0.739 175.399 176.117 0.034 0.000 1.060 51 I CA -0.678 60.642 61.300 0.032 0.000 1.309 51 I CB 0.140 38.151 38.000 0.019 0.000 1.415 51 I HN 0.675 8.894 8.210 0.015 0.000 0.492 52 c N 9.250 127.878 118.600 0.046 0.000 2.648 52 c HA -0.081 nan 4.570 nan 0.000 0.419 52 c C 1.318 175.436 174.090 0.047 0.000 1.352 52 c CA 0.400 56.753 56.329 0.040 0.000 1.816 52 c CB -1.271 41.263 42.510 0.041 0.000 2.598 52 c HN 0.276 8.539 8.230 0.056 0.000 0.598 53 N N 4.782 123.501 118.700 0.032 0.000 2.416 53 N HA -0.217 nan 4.740 nan 0.000 0.215 53 N C -1.044 174.484 175.510 0.030 0.000 1.208 53 N CA -0.146 52.923 53.050 0.033 0.000 0.834 53 N CB -0.475 38.023 38.487 0.019 0.000 1.072 53 N HN 0.660 9.054 8.380 0.023 0.000 0.472 54 N N -1.822 116.891 118.700 0.023 0.000 2.516 54 N HA 0.247 nan 4.740 nan 0.000 0.268 54 N C -2.461 173.015 175.510 -0.057 0.000 1.096 54 N CA -1.364 51.678 53.050 -0.012 0.000 0.954 54 N CB 3.389 41.869 38.487 -0.011 0.000 1.676 54 N HN -0.839 7.455 8.380 0.034 0.107 0.490 55 P HA 0.012 nan 4.420 nan 0.000 0.245 55 P C -0.763 176.418 177.300 -0.198 0.000 1.206 55 P CA 0.817 63.801 63.100 -0.194 0.000 0.781 55 P CB 0.294 31.856 31.700 -0.230 0.000 0.994 56 H N -1.300 117.826 119.070 0.094 0.000 2.505 56 H HA 0.126 nan 4.556 nan 0.000 0.355 56 H C -0.791 174.583 175.328 0.076 0.000 1.179 56 H CA -0.760 55.360 56.048 0.120 0.000 1.343 56 H CB 1.119 31.004 29.762 0.206 0.000 1.501 56 H HN -0.122 8.025 8.280 -0.139 0.050 0.569 57 R N 2.869 123.489 120.500 0.199 0.000 2.248 57 R HA 0.083 nan 4.340 nan 0.000 0.337 57 R C -0.871 175.505 176.300 0.128 0.000 1.106 57 R CA -0.608 55.571 56.100 0.132 0.000 0.959 57 R CB -0.319 30.053 30.300 0.120 0.000 1.075 57 R HN 0.183 8.953 8.270 0.236 -0.358 0.480 58 I N 5.814 126.433 120.570 0.083 0.000 2.395 58 I HA 0.219 nan 4.170 nan 0.000 0.289 58 I C -0.855 175.266 176.117 0.006 0.000 1.023 58 I CA -1.978 59.339 61.300 0.028 0.000 1.350 58 I CB -0.255 37.748 38.000 0.006 0.000 1.409 58 I HN 0.071 8.325 8.210 0.074 0.000 0.507 59 L N 8.487 129.675 121.223 -0.058 0.000 2.298 59 L HA 0.282 nan 4.340 nan 0.000 0.284 59 L C -2.229 174.410 176.870 -0.386 0.000 1.013 59 L CA -1.503 53.252 54.840 -0.141 0.000 0.824 59 L CB 2.938 44.941 42.059 -0.095 0.000 1.221 59 L HN 0.717 8.893 8.230 -0.089 0.000 0.418 60 D N 6.348 126.608 120.400 -0.233 0.000 2.295 60 D HA 0.224 nan 4.640 nan 0.000 0.248 60 D C 0.583 176.717 176.300 -0.277 0.000 1.154 60 D CA -0.708 53.142 54.000 -0.249 0.000 0.857 60 D CB 1.329 42.067 40.800 -0.103 0.000 1.117 60 D HN 0.331 8.633 8.370 -0.114 0.000 0.468 61 G N 4.301 112.786 108.800 -0.525 0.000 2.679 61 G HA2 -0.098 nan 3.960 nan 0.000 0.212 61 G HA3 -0.098 nan 3.960 nan 0.000 0.212 61 G C 0.450 175.336 174.900 -0.024 0.000 1.137 61 G CA 0.035 44.820 45.100 -0.524 0.000 0.787 61 G HN 0.408 8.395 8.290 -0.504 0.000 0.534 62 I N -0.210 120.379 120.570 0.032 0.000 4.906 62 I HA -0.688 nan 4.170 nan 0.000 0.038 62 I C -1.076 175.092 176.117 0.085 0.000 0.635 62 I CA 2.348 63.699 61.300 0.084 0.000 0.218 62 I CB -1.942 36.144 38.000 0.143 0.000 0.325 62 I HN 0.141 8.576 8.210 -0.041 -0.250 0.150 63 D N 0.196 120.674 120.400 0.131 0.000 2.525 63 D HA 0.098 nan 4.640 nan 0.000 0.229 63 D C -1.020 175.278 176.300 -0.004 0.000 1.202 63 D CA -1.469 52.599 54.000 0.113 0.000 0.828 63 D CB -0.865 40.086 40.800 0.251 0.000 1.008 63 D HN -0.081 8.394 8.370 0.175 0.000 0.493 64 c N -0.451 118.115 118.600 -0.057 0.000 2.379 64 c HA 0.538 nan 4.570 nan 0.000 0.323 64 c C 0.011 174.017 174.090 -0.141 0.000 1.262 64 c CA -0.711 55.500 56.329 -0.198 0.000 1.581 64 c CB 1.687 44.012 42.510 -0.308 0.000 2.221 64 c HN -0.174 7.856 8.230 -0.009 0.194 0.497 65 T N 0.601 115.083 114.554 -0.119 0.000 2.816 65 T HA 0.287 nan 4.350 nan 0.000 0.282 65 T C 0.781 175.309 174.700 -0.287 0.000 0.993 65 T CA -1.237 60.801 62.100 -0.104 0.000 0.994 65 T CB 1.347 70.196 68.868 -0.032 0.000 1.025 65 T HN 0.245 8.417 8.240 -0.114 0.000 0.529 66 L N 0.690 121.587 121.223 -0.542 0.000 2.046 66 L HA -0.179 nan 4.340 nan 0.000 0.208 66 L C 1.197 177.704 176.870 -0.604 0.000 1.077 66 L CA 3.371 57.621 54.840 -0.984 0.000 0.747 66 L CB 0.083 41.373 42.059 -1.282 0.000 0.896 66 L HN 0.250 8.548 8.230 -0.448 -0.337 0.432 67 I N -1.839 118.469 120.570 -0.437 0.000 2.226 67 I HA -0.519 nan 4.170 nan 0.000 0.245 67 I C 2.004 177.951 176.117 -0.283 0.000 1.100 67 I CA 2.890 63.967 61.300 -0.372 0.000 1.374 67 I CB -1.535 36.286 38.000 -0.299 0.000 1.057 67 I HN -0.153 7.834 8.210 -0.371 0.000 0.413 68 D N -0.198 120.099 120.400 -0.172 0.000 2.144 68 D HA -0.276 nan 4.640 nan 0.000 0.199 68 D C 2.336 178.531 176.300 -0.174 0.000 0.984 68 D CA 3.630 57.551 54.000 -0.131 0.000 0.834 68 D CB -0.503 40.254 40.800 -0.072 0.000 0.955 68 D HN -0.635 7.665 8.370 -0.117 0.000 0.465 69 A N -0.434 122.236 122.820 -0.250 0.000 1.940 69 A HA -0.228 nan 4.320 nan 0.000 0.219 69 A C 1.597 179.111 177.584 -0.115 0.000 1.176 69 A CA 2.931 54.854 52.037 -0.190 0.000 0.631 69 A CB -0.476 18.302 19.000 -0.370 0.000 0.814 69 A HN -0.381 7.580 8.150 -0.315 0.000 0.446 70 L N -1.908 119.177 121.223 -0.230 0.000 1.988 70 L HA -0.233 nan 4.340 nan 0.000 0.207 70 L C 1.457 178.253 176.870 -0.124 0.000 1.071 70 L CA 2.893 57.585 54.840 -0.247 0.000 0.744 70 L CB 0.040 41.815 42.059 -0.475 0.000 0.893 70 L HN -0.481 7.452 8.230 -0.322 0.103 0.433 71 L N -4.832 116.250 121.223 -0.235 0.000 2.083 71 L HA -0.316 nan 4.340 nan 0.000 0.209 71 L C 0.943 177.779 176.870 -0.058 0.000 1.083 71 L CA 2.033 56.706 54.840 -0.279 0.000 0.752 71 L CB 0.472 42.120 42.059 -0.685 0.000 0.899 71 L HN 0.125 8.177 8.230 -0.297 0.000 0.433 72 G N -5.661 103.150 108.800 0.018 0.000 2.288 72 G HA2 -0.431 nan 3.960 nan 0.000 0.205 72 G HA3 -0.431 nan 3.960 nan 0.000 0.205 72 G C -1.235 173.743 174.900 0.130 0.000 1.071 72 G CA -0.776 44.366 45.100 0.070 0.000 0.788 72 G HN -0.052 8.205 8.290 -0.035 0.012 0.491 73 D N 2.016 122.494 120.400 0.131 0.000 2.533 73 D HA 0.033 nan 4.640 nan 0.000 0.236 73 D C -0.237 176.068 176.300 0.010 0.000 1.137 73 D CA -0.758 53.275 54.000 0.056 0.000 0.867 73 D CB 0.888 41.710 40.800 0.036 0.000 1.170 73 D HN -0.610 7.810 8.370 0.084 0.000 0.474 74 P HA -0.298 nan 4.420 nan 0.000 0.216 74 P C 1.118 178.472 177.300 0.090 0.000 1.157 74 P CA 2.631 65.762 63.100 0.052 0.000 0.880 74 P CB 0.016 31.750 31.700 0.057 0.000 0.791 75 H N -4.391 114.698 119.070 0.032 0.000 2.561 75 H HA -0.028 nan 4.556 nan 0.000 0.278 75 H C 0.552 175.912 175.328 0.054 0.000 1.014 75 H CA 2.272 58.345 56.048 0.043 0.000 1.211 75 H CB -0.829 28.961 29.762 0.046 0.000 1.365 75 H HN -0.065 8.611 8.280 0.241 -0.252 0.594 76 c N 0.386 118.869 118.600 -0.195 0.000 2.881 76 c HA 0.317 nan 4.570 nan 0.000 0.290 76 c C 0.259 174.422 174.090 0.121 0.000 1.362 76 c CA -1.117 55.192 56.329 -0.033 0.000 1.757 76 c CB -0.476 41.965 42.510 -0.114 0.000 2.265 76 c HN -0.019 7.942 8.230 -0.134 0.189 0.600 77 D N 2.279 122.708 120.400 0.048 0.000 2.310 77 D HA -0.149 nan 4.640 nan 0.000 0.212 77 D C 1.559 177.864 176.300 0.009 0.000 0.965 77 D CA 3.277 57.304 54.000 0.045 0.000 0.879 77 D CB -0.303 40.515 40.800 0.031 0.000 0.921 77 D HN 0.049 8.280 8.370 0.030 0.158 0.510 78 V N -1.616 118.252 119.914 -0.078 0.000 2.568 78 V HA -0.288 nan 4.120 nan 0.000 0.253 78 V C 1.544 177.445 176.094 -0.321 0.000 1.072 78 V CA 2.563 64.705 62.300 -0.264 0.000 1.084 78 V CB -0.687 30.827 31.823 -0.515 0.000 0.676 78 V HN -0.272 7.837 8.190 -0.050 0.050 0.469 79 F N -3.601 116.360 119.950 0.018 0.000 2.732 79 F HA 0.142 nan 4.527 nan 0.000 0.303 79 F C -0.048 175.808 175.800 0.093 0.000 1.110 79 F CA -0.175 57.862 58.000 0.063 0.000 1.355 79 F CB -0.386 38.659 39.000 0.074 0.000 1.081 79 F HN -0.453 7.893 8.300 0.157 0.048 0.565 80 Q N 0.080 119.985 119.800 0.176 0.000 2.337 80 Q HA -0.275 nan 4.340 nan 0.000 0.270 80 Q C 0.101 176.197 176.000 0.160 0.000 1.002 80 Q CA 1.511 57.407 55.803 0.156 0.000 0.888 80 Q CB -0.009 28.780 28.738 0.085 0.000 1.222 80 Q HN -0.632 7.631 8.270 0.100 0.067 0.400 81 N N -1.404 117.410 118.700 0.191 0.000 2.753 81 N HA -0.450 nan 4.740 nan 0.000 0.251 81 N C -0.995 174.620 175.510 0.174 0.000 1.097 81 N CA 1.484 54.631 53.050 0.161 0.000 0.786 81 N CB -1.052 37.492 38.487 0.096 0.000 1.137 81 N HN 0.570 9.088 8.380 0.230 0.000 0.566 82 E N -1.741 118.618 120.200 0.264 0.000 2.371 82 E HA 0.164 nan 4.350 nan 0.000 0.257 82 E C -0.992 175.818 176.600 0.351 0.000 1.134 82 E CA -0.983 55.600 56.400 0.306 0.000 0.919 82 E CB 1.942 31.887 29.700 0.408 0.000 1.025 82 E HN -0.520 7.972 8.360 0.308 0.053 0.438 83 T N -3.772 110.969 114.554 0.311 0.000 2.883 83 T HA 0.899 nan 4.350 nan 0.000 0.296 83 T C -1.489 173.390 174.700 0.299 0.000 1.117 83 T CA -1.821 60.334 62.100 0.092 0.000 1.006 83 T CB 2.263 71.091 68.868 -0.066 0.000 1.191 83 T HN -0.159 8.268 8.240 0.311 0.000 0.508 84 W N -2.551 118.796 121.300 0.079 0.000 3.153 84 W HA 0.413 nan 4.660 nan 0.000 0.316 84 W C -1.851 174.692 176.519 0.040 0.000 1.255 84 W CA -0.503 56.880 57.345 0.064 0.000 1.192 84 W CB 1.424 30.946 29.460 0.103 0.000 1.400 84 W HN -0.075 7.691 8.180 -0.690 0.000 0.568 85 D N -0.455 120.064 120.400 0.199 0.000 2.262 85 D HA 0.205 nan 4.640 nan 0.000 0.212 85 D C -0.932 175.412 176.300 0.073 0.000 0.964 85 D CA 2.530 56.609 54.000 0.132 0.000 0.875 85 D CB 2.436 43.351 40.800 0.191 0.000 0.996 85 D HN 0.417 8.809 8.370 0.224 0.113 0.497 86 L N -2.831 118.431 121.223 0.066 0.000 2.439 86 L HA 0.423 nan 4.340 nan 0.000 0.270 86 L C -2.870 174.005 176.870 0.007 0.000 0.972 86 L CA -0.209 54.545 54.840 -0.143 0.000 0.836 86 L CB 3.228 44.982 42.059 -0.508 0.000 1.255 86 L HN -0.438 7.878 8.230 0.143 0.000 0.404 87 F N 8.696 128.460 119.950 -0.309 0.000 2.405 87 F HA 0.516 nan 4.527 nan 0.000 0.355 87 F C -1.943 173.656 175.800 -0.335 0.000 1.121 87 F CA -1.677 56.002 58.000 -0.534 0.000 1.112 87 F CB 2.080 40.417 39.000 -1.105 0.000 1.126 87 F HN 0.191 8.490 8.300 -0.001 0.000 0.481 88 V N 9.029 128.747 119.914 -0.326 0.000 2.383 88 V HA 0.201 nan 4.120 nan 0.000 0.275 88 V C -1.319 174.689 176.094 -0.145 0.000 1.036 88 V CA -0.876 61.322 62.300 -0.170 0.000 0.889 88 V CB -0.093 31.631 31.823 -0.165 0.000 0.985 88 V HN 0.886 8.727 8.190 -0.581 0.000 0.459 89 E N 7.981 128.183 120.200 0.003 0.000 2.197 89 E HA 0.404 nan 4.350 nan 0.000 0.281 89 E C -1.058 175.537 176.600 -0.008 0.000 0.995 89 E CA -0.669 55.747 56.400 0.027 0.000 0.808 89 E CB 1.771 31.498 29.700 0.045 0.000 1.093 89 E HN 0.729 8.990 8.360 0.013 0.106 0.394 90 R N 2.611 123.107 120.500 -0.007 0.000 2.573 90 R HA 0.403 nan 4.340 nan 0.000 0.272 90 R C 1.809 178.122 176.300 0.021 0.000 1.009 90 R CA -2.776 53.326 56.100 0.004 0.000 1.059 90 R CB 1.004 31.311 30.300 0.011 0.000 1.112 90 R HN 0.638 8.905 8.270 -0.006 0.000 0.517 91 S N 3.227 118.939 115.700 0.021 0.000 2.474 91 S HA -0.162 nan 4.470 nan 0.000 0.235 91 S C 0.775 175.402 174.600 0.047 0.000 0.997 91 S CA 2.954 61.169 58.200 0.025 0.000 0.949 91 S CB -0.191 63.019 63.200 0.016 0.000 0.766 91 S HN 0.685 9.379 8.310 0.016 -0.375 0.517 92 K N -0.885 119.554 120.400 0.065 0.000 2.487 92 K HA 0.070 nan 4.320 nan 0.000 0.192 92 K C -0.238 176.471 176.600 0.182 0.000 1.027 92 K CA -1.132 55.220 56.287 0.107 0.000 1.054 92 K CB -0.352 32.212 32.500 0.106 0.000 0.824 92 K HN -0.067 8.169 8.250 0.053 0.046 0.510 93 A N 0.627 123.525 122.820 0.130 0.000 2.498 93 A HA -0.017 nan 4.320 nan 0.000 0.239 93 A C -1.256 176.436 177.584 0.180 0.000 1.068 93 A CA 0.813 52.918 52.037 0.114 0.000 0.766 93 A CB 0.506 19.528 19.000 0.036 0.000 1.003 93 A HN -0.663 7.465 8.150 0.085 0.073 0.497 94 F N 1.440 121.466 119.950 0.127 0.000 2.599 94 F HA 0.336 nan 4.527 nan 0.000 0.311 94 F C -2.045 173.871 175.800 0.193 0.000 1.076 94 F CA -2.029 56.025 58.000 0.090 0.000 0.937 94 F CB 2.788 41.792 39.000 0.007 0.000 1.282 94 F HN -0.043 8.082 8.300 -0.292 0.000 0.460 95 S N -0.357 115.489 115.700 0.243 0.000 2.608 95 S HA 0.095 nan 4.470 nan 0.000 0.291 95 S C -1.544 173.248 174.600 0.320 0.000 1.146 95 S CA -0.340 58.006 58.200 0.242 0.000 1.043 95 S CB 1.518 64.865 63.200 0.246 0.000 1.037 95 S HN -0.132 8.334 8.310 0.261 0.000 0.520 96 N N 1.896 120.763 118.700 0.278 0.000 2.620 96 N HA 0.091 nan 4.740 nan 0.000 0.277 96 N C -2.714 172.863 175.510 0.113 0.000 1.726 96 N CA 0.438 53.623 53.050 0.226 0.000 0.840 96 N CB 0.848 39.531 38.487 0.326 0.000 1.379 96 N HN 0.244 9.138 8.380 0.278 -0.347 0.506 97 c N -1.970 116.662 118.600 0.053 0.000 3.236 97 c HA 0.387 nan 4.570 nan 0.000 0.376 97 c C -1.414 172.629 174.090 -0.079 0.000 2.349 97 c CA -1.797 54.454 56.329 -0.130 0.000 1.235 97 c CB 2.641 44.895 42.510 -0.428 0.000 2.754 97 c HN -0.480 7.822 8.230 0.120 0.000 0.443 98 Y N 2.510 122.630 120.300 -0.300 0.000 2.805 98 Y HA -0.102 nan 4.550 nan 0.000 0.331 98 Y C -1.725 174.277 175.900 0.170 0.000 1.241 98 Y CA -0.738 57.333 58.100 -0.049 0.000 1.546 98 Y CB 0.305 38.718 38.460 -0.080 0.000 1.248 98 Y HN 0.024 8.013 8.280 -0.485 0.000 0.559 99 P HA -0.023 nan 4.420 nan 0.000 0.262 99 P C -2.201 175.310 177.300 0.352 0.000 1.199 99 P CA 0.310 63.501 63.100 0.151 0.000 0.763 99 P CB 0.013 31.689 31.700 -0.040 0.000 0.790 100 Y N 1.077 121.481 120.300 0.173 0.000 2.605 100 Y HA 0.746 nan 4.550 nan 0.000 0.343 100 Y C -2.282 173.646 175.900 0.047 0.000 1.036 100 Y CA -2.975 55.200 58.100 0.124 0.000 1.065 100 Y CB 3.329 41.828 38.460 0.065 0.000 1.288 100 Y HN -0.370 7.933 8.280 0.040 0.000 0.481 101 D N -2.530 117.884 120.400 0.022 0.000 2.645 101 D HA 0.113 nan 4.640 nan 0.000 0.228 101 D C -2.233 174.091 176.300 0.040 0.000 1.148 101 D CA -1.559 52.383 54.000 -0.097 0.000 0.860 101 D CB 3.665 44.416 40.800 -0.082 0.000 1.548 101 D HN 0.154 8.627 8.370 0.173 0.000 0.460 102 V N 0.449 120.392 119.914 0.048 0.000 2.376 102 V HA 0.350 nan 4.120 nan 0.000 0.287 102 V C -0.697 175.376 176.094 -0.035 0.000 1.015 102 V CA -2.964 59.345 62.300 0.016 0.000 0.834 102 V CB 1.238 33.157 31.823 0.160 0.000 1.001 102 V HN 0.346 8.547 8.190 0.018 0.000 0.428 103 P HA -0.204 nan 4.420 nan 0.000 0.217 103 P C -0.463 176.833 177.300 -0.006 0.000 1.162 103 P CA 2.391 65.435 63.100 -0.093 0.000 0.901 103 P CB 0.395 32.002 31.700 -0.155 0.000 0.793 104 D N -4.143 116.274 120.400 0.028 0.000 2.683 104 D HA 0.157 nan 4.640 nan 0.000 0.309 104 D C -0.066 176.295 176.300 0.102 0.000 1.238 104 D CA -2.274 51.780 54.000 0.090 0.000 0.936 104 D CB -0.614 40.267 40.800 0.134 0.000 1.001 104 D HN -0.283 8.087 8.370 -0.000 0.000 0.505 105 Y N 5.194 125.469 120.300 -0.041 0.000 2.102 105 Y HA -0.630 nan 4.550 nan 0.000 0.280 105 Y C 0.107 175.960 175.900 -0.078 0.000 1.178 105 Y CA 4.429 62.489 58.100 -0.067 0.000 1.146 105 Y CB 0.216 38.631 38.460 -0.074 0.000 0.968 105 Y HN -0.405 7.932 8.280 0.184 0.054 0.504 106 A N -3.535 119.379 122.820 0.156 0.000 1.908 106 A HA -0.415 nan 4.320 nan 0.000 0.218 106 A C 2.267 179.820 177.584 -0.051 0.000 1.181 106 A CA 3.183 55.254 52.037 0.057 0.000 0.627 106 A CB -1.353 17.690 19.000 0.071 0.000 0.818 106 A HN 0.476 8.719 8.150 0.188 0.020 0.445 107 S N -0.366 115.318 115.700 -0.027 0.000 2.387 107 S HA -0.205 nan 4.470 nan 0.000 0.226 107 S C 1.803 176.254 174.600 -0.250 0.000 1.026 107 S CA 3.534 61.695 58.200 -0.065 0.000 0.972 107 S CB 0.056 63.300 63.200 0.074 0.000 0.814 107 S HN -0.560 8.054 8.310 0.032 -0.285 0.477 108 L N 2.356 123.380 121.223 -0.330 0.000 2.027 108 L HA -0.290 nan 4.340 nan 0.000 0.206 108 L C 0.719 177.276 176.870 -0.522 0.000 1.074 108 L CA 2.908 57.396 54.840 -0.587 0.000 0.745 108 L CB -0.374 41.372 42.059 -0.522 0.000 0.898 108 L HN -0.313 7.802 8.230 -0.192 0.000 0.433 109 R N -1.494 118.697 120.500 -0.514 0.000 2.105 109 R HA -0.496 nan 4.340 nan 0.000 0.239 109 R C 2.169 178.280 176.300 -0.315 0.000 1.135 109 R CA 3.818 59.638 56.100 -0.467 0.000 0.967 109 R CB -0.342 29.691 30.300 -0.445 0.000 0.861 109 R HN 0.455 8.395 8.270 -0.551 0.000 0.442 110 S N -0.599 114.955 115.700 -0.243 0.000 2.345 110 S HA -0.249 nan 4.470 nan 0.000 0.220 110 S C 1.868 176.364 174.600 -0.173 0.000 1.031 110 S CA 3.248 61.351 58.200 -0.162 0.000 0.996 110 S CB -0.123 63.010 63.200 -0.112 0.000 0.882 110 S HN -0.571 7.509 8.310 -0.241 0.086 0.445 111 L N 0.864 121.933 121.223 -0.257 0.000 2.083 111 L HA -0.307 nan 4.340 nan 0.000 0.209 111 L C 1.940 178.664 176.870 -0.245 0.000 1.083 111 L CA 2.993 57.664 54.840 -0.281 0.000 0.752 111 L CB 0.086 41.856 42.059 -0.481 0.000 0.899 111 L HN -0.071 7.974 8.230 -0.309 0.000 0.433 112 V N -1.649 118.096 119.914 -0.282 0.000 2.379 112 V HA -0.400 nan 4.120 nan 0.000 0.245 112 V C 1.600 177.700 176.094 0.009 0.000 1.044 112 V CA 3.904 66.092 62.300 -0.187 0.000 1.036 112 V CB -1.037 30.609 31.823 -0.296 0.000 0.664 112 V HN -0.001 7.973 8.190 -0.361 0.000 0.453 113 A N -1.070 121.732 122.820 -0.030 0.000 1.948 113 A HA -0.350 nan 4.320 nan 0.000 0.220 113 A C 2.248 179.967 177.584 0.225 0.000 1.177 113 A CA 3.417 55.530 52.037 0.127 0.000 0.636 113 A CB -0.613 18.366 19.000 -0.033 0.000 0.815 113 A HN 0.148 8.140 8.150 -0.158 0.063 0.449 114 S N -4.455 111.281 115.700 0.061 0.000 2.524 114 S HA -0.106 nan 4.470 nan 0.000 0.216 114 S C 1.704 176.280 174.600 -0.040 0.000 0.987 114 S CA 2.533 60.754 58.200 0.035 0.000 0.909 114 S CB -0.147 63.060 63.200 0.012 0.000 0.781 114 S HN 0.033 8.339 8.310 -0.006 0.000 0.521 115 S N 2.441 118.099 115.700 -0.070 0.000 2.368 115 S HA -0.193 nan 4.470 nan 0.000 0.224 115 S C 1.295 175.732 174.600 -0.272 0.000 1.029 115 S CA 1.954 60.078 58.200 -0.127 0.000 0.988 115 S CB 0.189 63.325 63.200 -0.107 0.000 0.838 115 S HN -0.552 7.630 8.310 -0.046 0.101 0.462 116 G N 0.548 109.075 108.800 -0.455 0.000 2.143 116 G HA2 -0.333 nan 3.960 nan 0.000 0.249 116 G HA3 -0.333 nan 3.960 nan 0.000 0.249 116 G C -2.106 171.930 174.900 -1.439 0.000 0.981 116 G CA 0.687 45.055 45.100 -1.221 0.000 0.665 116 G HN -0.278 7.898 8.290 -0.190 0.000 0.528 117 T N -1.477 112.580 114.554 -0.828 0.000 2.956 117 T HA 0.502 nan 4.350 nan 0.000 0.312 117 T C -1.553 173.149 174.700 0.004 0.000 1.151 117 T CA -0.805 61.052 62.100 -0.404 0.000 1.024 117 T CB 1.776 70.516 68.868 -0.213 0.000 1.140 117 T HN -0.589 7.306 8.240 -0.523 0.032 0.473 118 L N 4.354 125.717 121.223 0.233 0.000 2.965 118 L HA 0.352 nan 4.340 nan 0.000 0.254 118 L C -0.534 176.579 176.870 0.405 0.000 1.220 118 L CA -1.082 54.011 54.840 0.421 0.000 1.023 118 L CB 0.592 42.916 42.059 0.441 0.000 1.355 118 L HN 0.710 9.064 8.230 0.207 0.000 0.545 119 E N 0.919 121.254 120.200 0.225 0.000 2.493 119 E HA -0.290 nan 4.350 nan 0.000 0.255 119 E C -1.757 174.883 176.600 0.066 0.000 0.999 119 E CA 1.316 57.781 56.400 0.109 0.000 0.934 119 E CB 0.118 29.822 29.700 0.007 0.000 0.940 119 E HN -0.617 7.759 8.360 0.151 0.074 0.473 120 F N 6.701 126.518 119.950 -0.221 0.000 2.520 120 F HA 0.580 nan 4.527 nan 0.000 0.322 120 F C -1.448 174.103 175.800 -0.416 0.000 1.103 120 F CA -1.246 56.468 58.000 -0.476 0.000 0.926 120 F CB 2.871 41.539 39.000 -0.555 0.000 1.154 120 F HN -0.327 8.293 8.300 0.089 -0.266 0.453 121 I N 7.271 127.132 120.570 -1.181 0.000 2.378 121 I HA 0.256 nan 4.170 nan 0.000 0.291 121 I C -1.096 174.437 176.117 -0.973 0.000 0.992 121 I CA -2.166 58.572 61.300 -0.936 0.000 1.154 121 I CB 1.911 39.186 38.000 -1.209 0.000 1.315 121 I HN 0.927 8.108 8.210 -1.715 0.000 0.448 122 T N 8.156 122.464 114.554 -0.409 0.000 2.856 122 T HA 0.187 nan 4.350 nan 0.000 0.292 122 T C -0.969 173.672 174.700 -0.098 0.000 0.980 122 T CA -0.427 61.580 62.100 -0.156 0.000 1.091 122 T CB 0.424 69.335 68.868 0.071 0.000 0.936 122 T HN 0.227 8.315 8.240 -0.254 0.000 0.503 123 E N 5.228 125.430 120.200 0.003 0.000 2.263 123 E HA 0.302 nan 4.350 nan 0.000 0.264 123 E C -0.031 176.519 176.600 -0.084 0.000 0.923 123 E CA -1.469 54.886 56.400 -0.075 0.000 0.802 123 E CB 3.070 32.675 29.700 -0.158 0.000 1.228 123 E HN 0.375 8.710 8.360 0.135 0.106 0.417 124 G N 1.704 110.397 108.800 -0.178 0.000 3.101 124 G HA2 0.040 nan 3.960 nan 0.000 0.272 124 G HA3 0.040 nan 3.960 nan 0.000 0.272 124 G C -0.872 173.895 174.900 -0.222 0.000 0.801 124 G CA -0.245 44.781 45.100 -0.123 0.000 1.978 124 G HN 0.420 8.585 8.290 -0.209 0.000 0.591 125 F N 1.869 121.770 119.950 -0.082 0.000 2.484 125 F HA -0.112 nan 4.527 nan 0.000 0.360 125 F C 0.112 175.601 175.800 -0.518 0.000 1.101 125 F CA 0.681 58.471 58.000 -0.349 0.000 1.251 125 F CB 1.128 39.945 39.000 -0.304 0.000 1.132 125 F HN -0.650 7.723 8.300 0.191 0.042 0.570 126 T N 5.490 119.763 114.554 -0.468 0.000 2.788 126 T HA 0.185 nan 4.350 nan 0.000 0.296 126 T C -0.799 173.616 174.700 -0.476 0.000 1.009 126 T CA -0.450 61.441 62.100 -0.348 0.000 0.949 126 T CB 0.170 68.926 68.868 -0.187 0.000 0.946 126 T HN 0.184 8.155 8.240 -0.448 0.000 0.453 127 W N 6.947 128.276 121.300 0.049 0.000 2.316 127 W HA 0.151 nan 4.660 nan 0.000 0.339 127 W C 0.011 176.507 176.519 -0.037 0.000 1.002 127 W CA -1.501 55.842 57.345 -0.003 0.000 1.465 127 W CB -0.127 29.324 29.460 -0.015 0.000 1.300 127 W HN 0.370 8.557 8.180 0.011 0.000 0.378 128 T N -0.047 114.558 114.554 0.085 0.000 2.771 128 T HA 0.303 nan 4.350 nan 0.000 0.291 128 T C 0.582 175.286 174.700 0.007 0.000 0.954 128 T CA -0.541 61.579 62.100 0.033 0.000 1.045 128 T CB -0.094 68.775 68.868 0.000 0.000 0.917 128 T HN 0.253 8.521 8.240 0.048 0.000 0.484 129 G N 4.083 112.875 108.800 -0.014 0.000 2.184 129 G HA2 -0.304 nan 3.960 nan 0.000 0.206 129 G HA3 -0.304 nan 3.960 nan 0.000 0.206 129 G C -2.243 172.588 174.900 -0.115 0.000 0.995 129 G CA 0.110 45.180 45.100 -0.051 0.000 0.651 129 G HN 0.543 8.832 8.290 -0.001 0.000 0.511 130 V N -5.760 114.079 119.914 -0.126 0.000 3.074 130 V HA 0.736 nan 4.120 nan 0.000 0.314 130 V C -0.810 175.224 176.094 -0.100 0.000 1.117 130 V CA -3.322 58.854 62.300 -0.206 0.000 1.014 130 V CB 2.171 33.749 31.823 -0.409 0.000 1.057 130 V HN -0.821 7.339 8.190 -0.051 0.000 0.438 131 T N 4.866 119.356 114.554 -0.107 0.000 2.728 131 T HA 0.299 nan 4.350 nan 0.000 0.296 131 T C -0.580 174.055 174.700 -0.107 0.000 0.940 131 T CA 0.072 62.116 62.100 -0.093 0.000 1.013 131 T CB -0.058 68.740 68.868 -0.118 0.000 0.912 131 T HN 0.400 8.462 8.240 -0.118 0.107 0.484 132 Q N 5.904 125.669 119.800 -0.059 0.000 2.237 132 Q HA 0.159 nan 4.340 nan 0.000 0.219 132 Q C 0.209 176.165 176.000 -0.073 0.000 0.999 132 Q CA 0.243 56.018 55.803 -0.048 0.000 0.959 132 Q CB 1.118 29.885 28.738 0.048 0.000 1.173 132 Q HN 0.370 8.623 8.270 -0.029 0.000 0.527 133 N N -4.369 114.303 118.700 -0.046 0.000 2.714 133 N HA -0.413 nan 4.740 nan 0.000 0.250 133 N C -0.218 175.224 175.510 -0.113 0.000 1.117 133 N CA 0.618 53.650 53.050 -0.030 0.000 0.719 133 N CB -1.437 37.055 38.487 0.008 0.000 1.081 133 N HN 0.424 9.147 8.380 -0.033 -0.363 0.557 134 G N -0.421 108.225 108.800 -0.257 0.000 2.414 134 G HA2 -0.174 nan 3.960 nan 0.000 0.236 134 G HA3 -0.174 nan 3.960 nan 0.000 0.236 134 G C -1.679 173.061 174.900 -0.267 0.000 1.293 134 G CA 0.299 45.107 45.100 -0.487 0.000 0.869 134 G HN -0.307 7.801 8.290 -0.249 0.032 0.556 135 R N -0.432 119.976 120.500 -0.152 0.000 2.831 135 R HA 0.635 nan 4.340 nan 0.000 0.266 135 R C -2.191 174.266 176.300 0.261 0.000 1.051 135 R CA -1.833 54.358 56.100 0.151 0.000 0.943 135 R CB 3.163 33.541 30.300 0.130 0.000 1.228 135 R HN -0.176 7.930 8.270 -0.273 0.000 0.467 136 S N -2.057 113.882 115.700 0.398 0.000 2.569 136 S HA 0.262 nan 4.470 nan 0.000 0.280 136 S C 0.003 174.734 174.600 0.217 0.000 1.111 136 S CA -2.039 56.398 58.200 0.394 0.000 0.887 136 S CB 2.835 66.447 63.200 0.688 0.000 1.095 136 S HN 0.721 9.214 8.310 0.393 0.053 0.476 137 N N 5.799 124.581 118.700 0.137 0.000 2.515 137 N HA -0.040 nan 4.740 nan 0.000 0.185 137 N C 0.340 175.871 175.510 0.034 0.000 1.109 137 N CA 1.367 54.459 53.050 0.071 0.000 0.903 137 N CB -0.320 38.194 38.487 0.044 0.000 0.969 137 N HN 0.552 9.017 8.380 0.142 0.000 0.450 138 A N -2.418 120.412 122.820 0.017 0.000 2.208 138 A HA 0.031 nan 4.320 nan 0.000 0.209 138 A C -0.757 176.814 177.584 -0.022 0.000 1.161 138 A CA 0.502 52.506 52.037 -0.054 0.000 0.782 138 A CB 0.365 19.254 19.000 -0.185 0.000 0.816 138 A HN -0.455 7.690 8.150 0.057 0.040 0.477 139 c N -2.137 116.479 118.600 0.028 0.000 3.169 139 c HA 0.229 nan 4.570 nan 0.000 0.232 139 c C -1.723 172.384 174.090 0.029 0.000 1.316 139 c CA -1.617 54.700 56.329 -0.019 0.000 1.545 139 c CB -1.506 40.944 42.510 -0.100 0.000 1.785 139 c HN -0.576 7.529 8.230 0.082 0.175 0.454 140 K N 2.961 123.382 120.400 0.035 0.000 2.412 140 K HA -0.188 nan 4.320 nan 0.000 0.284 140 K C -1.010 175.620 176.600 0.050 0.000 1.046 140 K CA 0.180 56.495 56.287 0.047 0.000 0.999 140 K CB 0.115 32.640 32.500 0.041 0.000 0.941 140 K HN -0.029 8.239 8.250 0.029 0.000 0.474 141 R N 7.984 128.517 120.500 0.055 0.000 2.275 141 R HA 0.071 nan 4.340 nan 0.000 0.326 141 R C -0.258 176.071 176.300 0.049 0.000 0.973 141 R CA -1.118 55.014 56.100 0.054 0.000 0.854 141 R CB 0.788 31.123 30.300 0.059 0.000 1.156 141 R HN -0.323 7.880 8.270 0.060 0.103 0.487 142 G N 8.105 116.933 108.800 0.047 0.000 2.556 142 G HA2 -0.340 nan 3.960 nan 0.000 0.283 142 G HA3 -0.340 nan 3.960 nan 0.000 0.283 142 G C -1.622 173.299 174.900 0.037 0.000 1.177 142 G CA 0.234 45.358 45.100 0.040 0.000 0.978 142 G HN 0.109 8.430 8.290 0.052 0.000 0.554 143 P HA 0.008 nan 4.420 nan 0.000 0.220 143 P C -0.446 176.872 177.300 0.031 0.000 1.152 143 P CA 0.583 63.700 63.100 0.028 0.000 0.812 143 P CB 0.650 32.364 31.700 0.024 0.000 0.792 144 G N -1.554 107.267 108.800 0.035 0.000 2.563 144 G HA2 0.105 nan 3.960 nan 0.000 0.283 144 G HA3 0.105 nan 3.960 nan 0.000 0.283 144 G C -0.409 174.520 174.900 0.048 0.000 1.309 144 G CA -1.686 43.436 45.100 0.037 0.000 1.022 144 G HN -0.698 7.572 8.290 0.036 0.042 0.501 145 S N -0.950 114.783 115.700 0.054 0.000 2.634 145 S HA 0.231 nan 4.470 nan 0.000 0.254 145 S C -0.596 174.062 174.600 0.095 0.000 1.299 145 S CA 1.462 59.709 58.200 0.078 0.000 0.974 145 S CB 0.724 63.975 63.200 0.084 0.000 1.001 145 S HN 0.199 8.536 8.310 0.045 0.000 0.584 146 G N -2.548 106.337 108.800 0.141 0.000 2.428 146 G HA2 0.178 nan 3.960 nan 0.000 0.304 146 G HA3 0.178 nan 3.960 nan 0.000 0.304 146 G C -2.986 172.084 174.900 0.283 0.000 1.303 146 G CA 0.473 45.670 45.100 0.162 0.000 0.825 146 G HN -0.008 8.382 8.290 0.168 0.000 0.484 147 F N -2.337 117.612 119.950 -0.002 0.000 3.016 147 F HA 0.436 nan 4.527 nan 0.000 0.324 147 F C -2.098 173.621 175.800 -0.135 0.000 1.196 147 F CA -2.379 55.579 58.000 -0.070 0.000 0.929 147 F CB 3.756 42.826 39.000 0.116 0.000 1.440 147 F HN -0.160 8.259 8.300 0.198 0.000 0.505 148 F N 0.693 120.431 119.950 -0.352 0.000 2.529 148 F HA -0.009 nan 4.527 nan 0.000 0.365 148 F C 1.425 177.220 175.800 -0.007 0.000 1.102 148 F CA 0.676 58.550 58.000 -0.209 0.000 1.271 148 F CB 0.001 38.783 39.000 -0.362 0.000 1.120 148 F HN 0.058 7.681 8.300 -1.129 0.000 0.579 149 S N 5.563 121.345 115.700 0.137 0.000 2.419 149 S HA -0.353 nan 4.470 nan 0.000 0.233 149 S C 1.350 175.962 174.600 0.020 0.000 1.016 149 S CA 2.834 61.082 58.200 0.080 0.000 0.974 149 S CB -0.029 63.184 63.200 0.023 0.000 0.786 149 S HN 0.731 8.989 8.310 0.113 0.120 0.492 150 R N -0.661 119.816 120.500 -0.038 0.000 2.359 150 R HA 0.189 nan 4.340 nan 0.000 0.231 150 R C -1.810 174.532 176.300 0.070 0.000 0.913 150 R CA -0.681 55.301 56.100 -0.196 0.000 1.075 150 R CB 0.214 30.271 30.300 -0.404 0.000 1.087 150 R HN -0.653 7.606 8.270 0.018 0.021 0.515 151 L N -2.733 118.610 121.223 0.200 0.000 2.323 151 L HA 0.474 nan 4.340 nan 0.000 0.265 151 L C -2.386 174.695 176.870 0.352 0.000 1.012 151 L CA -1.466 53.545 54.840 0.285 0.000 0.820 151 L CB 3.580 45.816 42.059 0.294 0.000 1.334 151 L HN -0.576 7.729 8.230 0.238 0.068 0.427 152 N N -0.203 118.642 118.700 0.241 0.000 2.540 152 N HA 0.264 nan 4.740 nan 0.000 0.275 152 N C -2.201 173.332 175.510 0.038 0.000 1.053 152 N CA -0.972 52.158 53.050 0.133 0.000 0.876 152 N CB 2.061 40.597 38.487 0.081 0.000 1.284 152 N HN 0.292 8.785 8.380 0.189 0.000 0.518 153 W N 7.193 128.312 121.300 -0.302 0.000 2.437 153 W HA 0.255 nan 4.660 nan 0.000 0.312 153 W C -1.970 174.390 176.519 -0.265 0.000 1.242 153 W CA -2.059 55.044 57.345 -0.403 0.000 1.340 153 W CB 0.039 28.977 29.460 -0.869 0.000 1.327 153 W HN 0.399 8.565 8.180 -0.023 0.000 0.476 154 L N 8.749 130.054 121.223 0.136 0.000 2.307 154 L HA 0.519 nan 4.340 nan 0.000 0.282 154 L C -1.042 175.976 176.870 0.247 0.000 1.051 154 L CA -0.545 54.306 54.840 0.018 0.000 0.804 154 L CB 0.300 42.288 42.059 -0.118 0.000 1.197 154 L HN -0.428 7.944 8.230 0.236 0.000 0.431 155 T N -2.157 112.431 114.554 0.057 0.000 2.858 155 T HA 0.658 nan 4.350 nan 0.000 0.285 155 T C -0.609 174.178 174.700 0.144 0.000 1.052 155 T CA -2.218 59.947 62.100 0.108 0.000 1.009 155 T CB 2.935 71.621 68.868 -0.304 0.000 1.241 155 T HN 0.443 8.634 8.240 -0.082 0.000 0.542 156 K N -0.978 119.530 120.400 0.180 0.000 2.380 156 K HA 0.101 nan 4.320 nan 0.000 0.267 156 K C -0.487 176.107 176.600 -0.010 0.000 0.990 156 K CA 0.352 56.721 56.287 0.137 0.000 0.946 156 K CB 0.380 32.950 32.500 0.117 0.000 0.937 156 K HN 0.172 8.474 8.250 0.087 0.000 0.491 157 S N 2.131 117.816 115.700 -0.025 0.000 2.456 157 S HA 0.205 nan 4.470 nan 0.000 0.316 157 S C 0.226 174.818 174.600 -0.013 0.000 1.089 157 S CA -0.783 57.398 58.200 -0.033 0.000 1.101 157 S CB 0.849 64.024 63.200 -0.042 0.000 0.995 157 S HN -0.235 8.062 8.310 -0.022 0.000 0.468 158 G N 7.973 116.763 108.800 -0.018 0.000 2.815 158 G HA2 -0.473 nan 3.960 nan 0.000 0.326 158 G HA3 -0.473 nan 3.960 nan 0.000 0.326 158 G C -0.611 174.289 174.900 0.000 0.000 1.191 158 G CA 2.166 47.260 45.100 -0.010 0.000 0.965 158 G HN 0.525 8.797 8.290 -0.029 0.000 0.564 159 S N 3.844 119.551 115.700 0.012 0.000 2.730 159 S HA 0.240 nan 4.470 nan 0.000 0.244 159 S C -0.886 173.740 174.600 0.044 0.000 1.022 159 S CA -0.325 57.888 58.200 0.022 0.000 1.014 159 S CB 1.577 64.787 63.200 0.016 0.000 0.963 159 S HN -0.179 8.137 8.310 0.010 0.000 0.540 160 T N 1.814 116.401 114.554 0.055 0.000 2.923 160 T HA 0.311 nan 4.350 nan 0.000 0.311 160 T C -2.901 171.881 174.700 0.136 0.000 1.183 160 T CA -0.154 61.999 62.100 0.089 0.000 1.020 160 T CB 2.749 71.652 68.868 0.058 0.000 1.165 160 T HN -0.383 7.881 8.240 0.040 0.000 0.482 161 Y N 3.488 123.812 120.300 0.041 0.000 2.338 161 Y HA 0.397 nan 4.550 nan 0.000 0.328 161 Y C -2.477 173.454 175.900 0.053 0.000 0.965 161 Y CA -3.682 54.452 58.100 0.058 0.000 1.208 161 Y CB 1.912 40.428 38.460 0.093 0.000 1.132 161 Y HN 0.336 8.766 8.280 0.250 0.000 0.469 162 P HA 0.025 nan 4.420 nan 0.000 0.286 162 P C -1.625 175.765 177.300 0.151 0.000 1.293 162 P CA -0.827 62.326 63.100 0.087 0.000 0.770 162 P CB 0.916 32.626 31.700 0.015 0.000 1.206 163 V N -1.039 118.937 119.914 0.105 0.000 2.385 163 V HA 0.030 nan 4.120 nan 0.000 0.269 163 V C -0.101 176.048 176.094 0.091 0.000 1.043 163 V CA -0.362 62.003 62.300 0.109 0.000 0.906 163 V CB -0.155 31.708 31.823 0.068 0.000 0.995 163 V HN -0.051 8.183 8.190 0.073 0.000 0.467 164 L N 8.678 129.976 121.223 0.125 0.000 2.349 164 L HA 0.122 nan 4.340 nan 0.000 0.275 164 L C -0.776 176.156 176.870 0.103 0.000 1.115 164 L CA -0.050 54.875 54.840 0.142 0.000 0.820 164 L CB 0.944 43.151 42.059 0.247 0.000 1.135 164 L HN 0.773 9.104 8.230 0.169 0.000 0.445 165 N N 3.451 122.190 118.700 0.066 0.000 2.710 165 N HA 0.165 nan 4.740 nan 0.000 0.244 165 N C -1.249 174.254 175.510 -0.011 0.000 1.321 165 N CA -0.061 53.002 53.050 0.022 0.000 0.758 165 N CB 0.905 39.395 38.487 0.006 0.000 1.284 165 N HN -0.023 8.392 8.380 0.058 0.000 0.530 166 V N -0.103 119.799 119.914 -0.019 0.000 2.975 166 V HA 0.734 nan 4.120 nan 0.000 0.318 166 V C -2.389 173.681 176.094 -0.039 0.000 1.077 166 V CA -2.664 59.588 62.300 -0.080 0.000 1.000 166 V CB 3.864 35.552 31.823 -0.225 0.000 1.066 166 V HN 0.474 8.677 8.190 0.022 0.000 0.452 167 T N 2.316 116.842 114.554 -0.048 0.000 2.916 167 T HA 0.571 nan 4.350 nan 0.000 0.305 167 T C -1.843 172.819 174.700 -0.063 0.000 1.119 167 T CA 0.042 62.118 62.100 -0.041 0.000 1.008 167 T CB 1.373 70.208 68.868 -0.055 0.000 1.129 167 T HN -0.098 8.094 8.240 -0.080 0.000 0.480 168 M N 6.231 125.799 119.600 -0.053 0.000 2.122 168 M HA 0.609 nan 4.480 nan 0.000 0.269 168 M C -2.924 173.347 176.300 -0.049 0.000 0.954 168 M CA -2.836 52.405 55.300 -0.099 0.000 0.998 168 M CB 3.903 36.434 32.600 -0.115 0.000 1.755 168 M HN 0.645 8.912 8.290 -0.037 0.000 0.459 169 P HA 0.221 nan 4.420 nan 0.000 0.275 169 P C -2.193 175.067 177.300 -0.066 0.000 1.227 169 P CA -0.568 62.498 63.100 -0.057 0.000 0.781 169 P CB 0.656 32.315 31.700 -0.068 0.000 0.906 170 N N 1.353 120.008 118.700 -0.075 0.000 2.500 170 N HA 0.056 nan 4.740 nan 0.000 0.236 170 N C 0.028 175.435 175.510 -0.171 0.000 1.022 170 N CA -1.261 51.701 53.050 -0.146 0.000 0.935 170 N CB 0.658 39.061 38.487 -0.139 0.000 1.147 170 N HN 0.089 8.434 8.380 -0.058 0.000 0.512 171 N N 4.891 123.475 118.700 -0.193 0.000 2.236 171 N HA 0.023 nan 4.740 nan 0.000 0.196 171 N C -0.256 175.124 175.510 -0.215 0.000 1.114 171 N CA 0.387 53.338 53.050 -0.164 0.000 0.859 171 N CB 1.546 39.963 38.487 -0.116 0.000 0.982 171 N HN 0.281 8.534 8.380 -0.212 0.000 0.493 172 D N 0.390 120.566 120.400 -0.373 0.000 2.478 172 D HA 0.136 nan 4.640 nan 0.000 0.269 172 D C -1.110 174.908 176.300 -0.471 0.000 1.232 172 D CA -0.256 53.438 54.000 -0.509 0.000 1.059 172 D CB 0.798 40.938 40.800 -1.099 0.000 1.104 172 D HN -0.503 7.761 8.370 -0.439 -0.157 0.566 173 N N -1.582 116.876 118.700 -0.403 0.000 2.389 173 N HA 0.060 nan 4.740 nan 0.000 0.260 173 N C -1.589 173.886 175.510 -0.058 0.000 1.191 173 N CA -0.216 52.737 53.050 -0.162 0.000 0.885 173 N CB -0.317 38.157 38.487 -0.023 0.000 1.162 173 N HN 0.247 8.385 8.380 -0.404 0.000 0.512 174 F N -3.808 116.117 119.950 -0.041 0.000 2.643 174 F HA 0.219 nan 4.527 nan 0.000 0.314 174 F C -1.836 173.929 175.800 -0.058 0.000 1.096 174 F CA -2.102 55.877 58.000 -0.036 0.000 0.953 174 F CB 2.133 41.119 39.000 -0.023 0.000 1.345 174 F HN -0.847 6.859 8.300 -0.874 0.070 0.468 175 D N 0.382 120.923 120.400 0.234 0.000 2.341 175 D HA 0.111 nan 4.640 nan 0.000 0.245 175 D C -0.825 175.583 176.300 0.180 0.000 1.106 175 D CA 0.044 54.126 54.000 0.137 0.000 0.905 175 D CB 1.097 41.970 40.800 0.122 0.000 1.202 175 D HN 0.083 8.598 8.370 0.241 0.000 0.426 176 K N -0.146 120.281 120.400 0.045 0.000 2.292 176 K HA 0.687 nan 4.320 nan 0.000 0.257 176 K C -1.463 175.160 176.600 0.038 0.000 0.940 176 K CA -1.255 54.986 56.287 -0.076 0.000 0.811 176 K CB 2.874 35.105 32.500 -0.448 0.000 1.120 176 K HN 0.146 8.423 8.250 0.046 0.000 0.428 177 L N 5.077 126.371 121.223 0.118 0.000 2.265 177 L HA 0.520 nan 4.340 nan 0.000 0.289 177 L C -2.135 174.891 176.870 0.258 0.000 1.033 177 L CA -0.972 54.012 54.840 0.239 0.000 0.814 177 L CB 1.818 44.018 42.059 0.236 0.000 1.203 177 L HN 0.304 8.646 8.230 0.187 0.000 0.423 178 Y N 7.297 127.892 120.300 0.492 0.000 2.331 178 Y HA 0.277 nan 4.550 nan 0.000 0.338 178 Y C -1.113 175.121 175.900 0.557 0.000 0.976 178 Y CA -1.155 57.275 58.100 0.550 0.000 1.137 178 Y CB 1.915 40.683 38.460 0.513 0.000 1.172 178 Y HN 1.059 9.708 8.280 0.615 0.000 0.478 179 I N 5.195 126.155 120.570 0.649 0.000 2.315 179 I HA 0.340 nan 4.170 nan 0.000 0.291 179 I C -1.138 175.228 176.117 0.416 0.000 1.006 179 I CA -1.924 59.603 61.300 0.380 0.000 1.265 179 I CB -0.279 37.868 38.000 0.246 0.000 1.387 179 I HN 0.401 9.052 8.210 0.734 0.000 0.475 180 W N 2.187 123.620 121.300 0.222 0.000 3.165 180 W HA 0.761 nan 4.660 nan 0.000 0.351 180 W C -2.528 174.068 176.519 0.129 0.000 1.164 180 W CA -1.982 55.448 57.345 0.142 0.000 1.074 180 W CB 2.356 31.883 29.460 0.111 0.000 1.499 180 W HN 0.231 8.259 8.180 -0.253 0.000 0.600 181 G N -3.421 105.644 108.800 0.441 0.000 2.606 181 G HA2 0.718 nan 3.960 nan 0.000 0.300 181 G HA3 0.718 nan 3.960 nan 0.000 0.300 181 G C -3.410 171.672 174.900 0.304 0.000 1.360 181 G CA -0.261 44.994 45.100 0.257 0.000 0.783 181 G HN 0.090 8.704 8.290 0.539 0.000 0.484 182 I N -1.457 119.207 120.570 0.157 0.000 2.686 182 I HA 0.633 nan 4.170 nan 0.000 0.295 182 I C -2.583 173.432 176.117 -0.170 0.000 1.114 182 I CA -2.022 59.273 61.300 -0.008 0.000 1.038 182 I CB 3.925 41.922 38.000 -0.005 0.000 1.238 182 I HN -0.012 8.281 8.210 0.138 0.000 0.420 183 H N 9.225 128.091 119.070 -0.341 0.000 2.517 183 H HA 0.337 nan 4.556 nan 0.000 0.317 183 H C -1.442 173.696 175.328 -0.317 0.000 1.080 183 H CA -1.429 54.440 56.048 -0.298 0.000 1.301 183 H CB 1.928 31.567 29.762 -0.204 0.000 1.425 183 H HN 0.292 8.366 8.280 -0.167 0.105 0.471 184 H N 7.723 126.622 119.070 -0.284 0.000 2.641 184 H HA 0.391 nan 4.556 nan 0.000 0.295 184 H C -2.139 172.956 175.328 -0.387 0.000 1.070 184 H CA -2.083 53.832 56.048 -0.221 0.000 1.257 184 H CB 0.763 30.477 29.762 -0.079 0.000 1.393 184 H HN 0.713 8.807 8.280 -0.311 0.000 0.464 185 P HA 0.131 nan 4.420 nan 0.000 0.274 185 P C -0.261 177.066 177.300 0.045 0.000 1.246 185 P CA -0.276 62.792 63.100 -0.053 0.000 0.795 185 P CB 1.063 32.851 31.700 0.147 0.000 1.006 186 S N -0.511 115.242 115.700 0.087 0.000 2.425 186 S HA -0.028 nan 4.470 nan 0.000 0.225 186 S C -0.397 174.252 174.600 0.082 0.000 1.024 186 S CA 2.514 60.765 58.200 0.085 0.000 0.951 186 S CB 0.892 64.152 63.200 0.100 0.000 0.796 186 S HN 0.361 9.082 8.310 0.122 -0.338 0.498 187 T N -4.685 109.924 114.554 0.092 0.000 2.906 187 T HA 0.312 nan 4.350 nan 0.000 0.295 187 T C 0.024 174.773 174.700 0.081 0.000 1.075 187 T CA -2.120 60.027 62.100 0.079 0.000 1.005 187 T CB 3.504 72.419 68.868 0.078 0.000 1.136 187 T HN -0.901 7.404 8.240 0.108 0.000 0.498 188 N N 1.995 120.734 118.700 0.067 0.000 2.289 188 N HA -0.391 nan 4.740 nan 0.000 0.184 188 N C 1.715 177.264 175.510 0.064 0.000 1.016 188 N CA 3.928 57.017 53.050 0.065 0.000 0.872 188 N CB -0.255 38.262 38.487 0.050 0.000 0.973 188 N HN 0.529 8.944 8.380 0.059 0.000 0.433 189 Q N 0.347 120.183 119.800 0.059 0.000 2.020 189 Q HA -0.276 nan 4.340 nan 0.000 0.202 189 Q C 1.615 177.649 176.000 0.056 0.000 0.982 189 Q CA 3.496 59.330 55.803 0.051 0.000 0.838 189 Q CB -0.465 28.302 28.738 0.048 0.000 0.899 189 Q HN 0.251 8.536 8.270 0.058 0.020 0.423 190 E N -0.335 119.912 120.200 0.079 0.000 2.097 190 E HA -0.477 nan 4.350 nan 0.000 0.196 190 E C 2.007 178.667 176.600 0.100 0.000 1.000 190 E CA 3.132 59.591 56.400 0.099 0.000 0.804 190 E CB -0.242 29.550 29.700 0.153 0.000 0.740 190 E HN -0.245 8.165 8.360 0.084 0.000 0.454 191 Q N -1.242 118.640 119.800 0.138 0.000 2.030 191 Q HA -0.334 nan 4.340 nan 0.000 0.204 191 Q C 2.319 178.385 176.000 0.111 0.000 0.986 191 Q CA 3.158 59.080 55.803 0.199 0.000 0.843 191 Q CB -0.285 28.552 28.738 0.165 0.000 0.904 191 Q HN -0.120 8.152 8.270 0.126 0.074 0.420 192 T N -3.384 111.206 114.554 0.061 0.000 2.942 192 T HA -0.140 nan 4.350 nan 0.000 0.265 192 T C 2.774 177.465 174.700 -0.014 0.000 1.062 192 T CA 3.479 65.598 62.100 0.032 0.000 1.139 192 T CB -0.978 67.911 68.868 0.034 0.000 0.883 192 T HN -0.281 7.913 8.240 0.063 0.084 0.468 193 S N 4.352 120.035 115.700 -0.028 0.000 2.365 193 S HA -0.376 nan 4.470 nan 0.000 0.225 193 S C 1.858 176.370 174.600 -0.146 0.000 1.039 193 S CA 4.217 62.380 58.200 -0.061 0.000 1.033 193 S CB -0.226 62.948 63.200 -0.043 0.000 0.887 193 S HN 0.204 8.514 8.310 -0.001 0.000 0.447 194 L N -0.360 120.692 121.223 -0.285 0.000 2.102 194 L HA -0.175 nan 4.340 nan 0.000 0.202 194 L C 1.494 177.999 176.870 -0.609 0.000 1.076 194 L CA 3.283 57.760 54.840 -0.605 0.000 0.761 194 L CB 0.555 41.952 42.059 -1.103 0.000 0.921 194 L HN -0.098 7.994 8.230 -0.229 0.000 0.444 195 Y N -6.479 113.805 120.300 -0.026 0.000 2.481 195 Y HA 0.030 nan 4.550 nan 0.000 0.247 195 Y C 0.866 176.705 175.900 -0.101 0.000 1.151 195 Y CA 0.342 58.330 58.100 -0.186 0.000 1.238 195 Y CB -0.452 37.807 38.460 -0.335 0.000 1.179 195 Y HN 0.259 8.339 8.280 -0.334 0.000 0.524 196 V N -2.360 117.584 119.914 0.049 0.000 0.595 196 V HA -0.643 nan 4.120 nan 0.000 0.092 196 V C 0.535 176.663 176.094 0.057 0.000 1.786 196 V CA 2.975 65.310 62.300 0.059 0.000 3.384 196 V CB -1.136 30.744 31.823 0.094 0.000 0.670 196 V HN -0.367 7.735 8.190 -0.003 0.086 0.691 197 Q N -0.301 119.532 119.800 0.054 0.000 2.310 197 Q HA -0.097 nan 4.340 nan 0.000 0.315 197 Q C -0.335 175.690 176.000 0.043 0.000 1.081 197 Q CA 0.388 56.214 55.803 0.038 0.000 0.981 197 Q CB 0.478 29.224 28.738 0.014 0.000 1.184 197 Q HN -0.146 8.120 8.270 0.059 0.040 0.389 198 A N 3.223 126.065 122.820 0.038 0.000 2.235 198 A HA -0.046 nan 4.320 nan 0.000 0.208 198 A C -0.819 176.786 177.584 0.036 0.000 1.172 198 A CA 1.166 53.228 52.037 0.042 0.000 0.786 198 A CB 0.182 19.203 19.000 0.035 0.000 0.804 198 A HN 0.183 8.353 8.150 0.033 0.000 0.479 199 S N -3.130 112.581 115.700 0.019 0.000 2.737 199 S HA 0.111 nan 4.470 nan 0.000 0.269 199 S C -0.679 173.904 174.600 -0.028 0.000 1.150 199 S CA -0.328 57.874 58.200 0.004 0.000 1.077 199 S CB 1.039 64.243 63.200 0.007 0.000 1.075 199 S HN -0.749 7.506 8.310 0.014 0.064 0.476 200 G N 2.785 111.548 108.800 -0.063 0.000 2.621 200 G HA2 0.268 nan 3.960 nan 0.000 0.271 200 G HA3 0.268 nan 3.960 nan 0.000 0.271 200 G C -2.000 172.841 174.900 -0.098 0.000 1.236 200 G CA -0.437 44.583 45.100 -0.133 0.000 0.958 200 G HN 0.129 8.391 8.290 -0.047 0.000 0.512 201 R N -1.699 118.732 120.500 -0.114 0.000 2.633 201 R HA 0.261 nan 4.340 nan 0.000 0.255 201 R C -2.320 173.920 176.300 -0.100 0.000 1.106 201 R CA 0.295 56.345 56.100 -0.084 0.000 0.959 201 R CB 3.149 33.415 30.300 -0.056 0.000 1.259 201 R HN -0.341 7.835 8.270 -0.156 0.000 0.453 202 V N 6.042 125.890 119.914 -0.109 0.000 2.531 202 V HA 0.696 nan 4.120 nan 0.000 0.301 202 V C -1.949 174.030 176.094 -0.193 0.000 1.034 202 V CA -1.079 61.127 62.300 -0.158 0.000 0.865 202 V CB 3.136 34.871 31.823 -0.147 0.000 0.995 202 V HN 0.661 8.794 8.190 -0.094 0.000 0.424 203 T N 9.400 123.821 114.554 -0.221 0.000 2.815 203 T HA 0.623 nan 4.350 nan 0.000 0.289 203 T C -1.967 172.541 174.700 -0.320 0.000 1.000 203 T CA -0.638 61.333 62.100 -0.215 0.000 0.958 203 T CB 1.178 69.969 68.868 -0.128 0.000 0.944 203 T HN 0.641 8.756 8.240 -0.208 0.000 0.442 204 V N 7.535 127.206 119.914 -0.406 0.000 2.495 204 V HA 0.833 nan 4.120 nan 0.000 0.298 204 V C -1.935 174.036 176.094 -0.206 0.000 1.031 204 V CA -1.694 60.336 62.300 -0.450 0.000 0.871 204 V CB 2.044 33.324 31.823 -0.906 0.000 0.988 204 V HN 0.850 8.839 8.190 -0.335 0.000 0.432 205 S N 5.764 121.376 115.700 -0.146 0.000 2.607 205 S HA 0.868 nan 4.470 nan 0.000 0.273 205 S C -1.434 173.138 174.600 -0.046 0.000 1.148 205 S CA -1.346 56.811 58.200 -0.073 0.000 0.833 205 S CB 3.327 66.486 63.200 -0.068 0.000 1.130 205 S HN 0.572 8.782 8.310 -0.168 0.000 0.470 206 T N -4.347 110.196 114.554 -0.018 0.000 2.693 206 T HA 0.611 nan 4.350 nan 0.000 0.278 206 T C 0.873 175.569 174.700 -0.007 0.000 0.994 206 T CA -1.588 60.510 62.100 -0.004 0.000 1.033 206 T CB 2.774 71.658 68.868 0.027 0.000 1.342 206 T HN 0.489 8.720 8.240 -0.015 0.000 0.538 207 R N -0.697 119.801 120.500 -0.003 0.000 2.148 207 R HA -0.186 nan 4.340 nan 0.000 0.227 207 R C 1.606 177.906 176.300 -0.001 0.000 1.103 207 R CA 2.796 58.893 56.100 -0.005 0.000 0.983 207 R CB 0.225 30.523 30.300 -0.005 0.000 0.874 207 R HN 0.347 9.093 8.270 0.001 -0.476 0.451 208 R N -3.327 117.178 120.500 0.007 0.000 2.189 208 R HA -0.016 nan 4.340 nan 0.000 0.203 208 R C 0.048 176.353 176.300 0.008 0.000 1.012 208 R CA 1.021 57.127 56.100 0.011 0.000 1.015 208 R CB 0.748 31.062 30.300 0.022 0.000 0.938 208 R HN 0.131 8.370 8.270 0.012 0.038 0.472 209 S N -2.885 112.818 115.700 0.005 0.000 2.671 209 S HA 0.304 nan 4.470 nan 0.000 0.277 209 S C -2.269 172.325 174.600 -0.011 0.000 1.165 209 S CA -1.115 57.085 58.200 -0.001 0.000 0.822 209 S CB 2.571 65.773 63.200 0.003 0.000 1.150 209 S HN -0.602 7.711 8.310 0.005 0.000 0.479 210 Q N -3.600 116.190 119.800 -0.017 0.000 2.386 210 Q HA 0.566 nan 4.340 nan 0.000 0.274 210 Q C -1.746 174.239 176.000 -0.025 0.000 1.011 210 Q CA -0.493 55.292 55.803 -0.030 0.000 0.867 210 Q CB 3.354 32.070 28.738 -0.036 0.000 1.409 210 Q HN 0.045 8.306 8.270 -0.015 0.000 0.395 211 Q N 1.043 120.826 119.800 -0.028 0.000 2.321 211 Q HA 0.398 nan 4.340 nan 0.000 0.270 211 Q C -1.879 174.086 176.000 -0.057 0.000 1.032 211 Q CA -0.473 55.323 55.803 -0.011 0.000 0.784 211 Q CB 4.363 33.155 28.738 0.090 0.000 1.264 211 Q HN 0.596 8.833 8.270 -0.056 0.000 0.448 212 T N 6.132 120.650 114.554 -0.059 0.000 2.809 212 T HA 0.717 nan 4.350 nan 0.000 0.284 212 T C -0.987 173.670 174.700 -0.071 0.000 0.992 212 T CA -0.679 61.375 62.100 -0.076 0.000 0.957 212 T CB 0.696 69.528 68.868 -0.059 0.000 0.942 212 T HN 0.072 8.284 8.240 -0.046 0.000 0.439 213 I N 6.416 126.934 120.570 -0.087 0.000 2.530 213 I HA 0.368 nan 4.170 nan 0.000 0.297 213 I C -1.990 174.106 176.117 -0.036 0.000 1.011 213 I CA -1.730 59.525 61.300 -0.075 0.000 1.107 213 I CB 3.816 41.707 38.000 -0.181 0.000 1.285 213 I HN 0.908 9.061 8.210 -0.094 0.000 0.436 214 I N -0.304 120.269 120.570 0.005 0.000 2.530 214 I HA 0.677 nan 4.170 nan 0.000 0.297 214 I C -2.148 174.008 176.117 0.064 0.000 1.011 214 I CA -3.848 57.456 61.300 0.006 0.000 1.107 214 I CB 2.053 40.056 38.000 0.006 0.000 1.285 214 I HN -0.105 8.123 8.210 0.030 0.000 0.436 215 P HA 0.094 nan 4.420 nan 0.000 0.274 215 P C -2.201 175.250 177.300 0.253 0.000 1.260 215 P CA -0.439 62.737 63.100 0.127 0.000 0.793 215 P CB 0.802 32.472 31.700 -0.050 0.000 1.048 216 N N -1.629 117.338 118.700 0.444 0.000 2.533 216 N HA 0.262 nan 4.740 nan 0.000 0.289 216 N C -0.967 174.608 175.510 0.110 0.000 1.103 216 N CA -0.400 52.736 53.050 0.142 0.000 0.877 216 N CB 3.175 41.641 38.487 -0.034 0.000 1.419 216 N HN 0.162 9.147 8.380 1.007 0.000 0.517 217 I N 2.689 123.304 120.570 0.075 0.000 2.428 217 I HA 0.270 nan 4.170 nan 0.000 0.289 217 I C 0.140 176.282 176.117 0.042 0.000 1.019 217 I CA 0.503 61.842 61.300 0.065 0.000 1.351 217 I CB 0.613 38.652 38.000 0.065 0.000 1.412 217 I HN 0.394 8.642 8.210 0.063 0.000 0.513 218 G N 5.447 114.273 108.800 0.043 0.000 2.340 218 G HA2 -0.110 nan 3.960 nan 0.000 0.300 218 G HA3 -0.110 nan 3.960 nan 0.000 0.300 218 G C -2.652 172.273 174.900 0.040 0.000 1.488 218 G CA -0.288 44.832 45.100 0.033 0.000 0.878 218 G HN -0.058 8.264 8.290 0.052 0.000 0.618 219 S N 0.609 116.335 115.700 0.044 0.000 2.513 219 S HA 0.510 nan 4.470 nan 0.000 0.276 219 S C -0.526 174.101 174.600 0.046 0.000 1.254 219 S CA -0.195 58.040 58.200 0.059 0.000 1.053 219 S CB 0.960 64.202 63.200 0.070 0.000 0.958 219 S HN 0.029 8.363 8.310 0.040 0.000 0.491 220 R N 5.632 126.163 120.500 0.051 0.000 2.810 220 R HA 0.481 nan 4.340 nan 0.000 0.245 220 R C -2.435 173.908 176.300 0.071 0.000 1.168 220 R CA -2.688 53.436 56.100 0.040 0.000 1.096 220 R CB -0.213 30.100 30.300 0.022 0.000 1.259 220 R HN -0.456 7.851 8.270 0.061 0.000 0.518 221 P HA -0.002 nan 4.420 nan 0.000 0.271 221 P C -0.912 176.484 177.300 0.160 0.000 1.216 221 P CA -0.754 62.409 63.100 0.106 0.000 0.776 221 P CB 0.512 32.252 31.700 0.067 0.000 0.881 222 W N 3.859 125.151 121.300 -0.013 0.000 2.505 222 W HA -0.163 nan 4.660 nan 0.000 0.332 222 W C -1.815 174.690 176.519 -0.024 0.000 1.434 222 W CA 1.487 58.823 57.345 -0.015 0.000 1.320 222 W CB 0.342 29.795 29.460 -0.011 0.000 1.363 222 W HN -0.007 8.385 8.180 0.353 0.000 0.565 223 V N 9.569 129.414 119.914 -0.115 0.000 2.525 223 V HA 0.200 nan 4.120 nan 0.000 0.299 223 V C -0.245 175.679 176.094 -0.284 0.000 1.034 223 V CA -1.349 60.883 62.300 -0.113 0.000 0.863 223 V CB 2.677 34.454 31.823 -0.078 0.000 0.999 223 V HN 0.444 8.479 8.190 -0.259 0.000 0.423 224 R N 5.689 126.063 120.500 -0.209 0.000 3.322 224 R HA -0.314 nan 4.340 nan 0.000 0.253 224 R C -0.533 175.512 176.300 -0.426 0.000 0.987 224 R CA 0.827 56.793 56.100 -0.224 0.000 0.666 224 R CB -1.538 28.669 30.300 -0.156 0.000 1.072 224 R HN 0.898 9.120 8.270 -0.081 0.000 0.447 225 G N -6.431 101.863 108.800 -0.843 0.000 2.199 225 G HA2 -0.396 nan 3.960 nan 0.000 0.254 225 G HA3 -0.396 nan 3.960 nan 0.000 0.254 225 G C -1.122 172.852 174.900 -1.543 0.000 0.982 225 G CA 0.049 44.388 45.100 -1.269 0.000 0.632 225 G HN -0.142 7.571 8.290 -0.942 0.011 0.529 226 L N -0.837 119.778 121.223 -1.013 0.000 2.334 226 L HA 0.334 nan 4.340 nan 0.000 0.273 226 L C -0.253 176.407 176.870 -0.350 0.000 1.013 226 L CA -1.176 53.307 54.840 -0.595 0.000 0.816 226 L CB 1.928 43.696 42.059 -0.485 0.000 1.278 226 L HN -0.317 7.215 8.230 -0.848 0.189 0.431 227 S N 1.106 116.732 115.700 -0.124 0.000 2.523 227 S HA 0.034 nan 4.470 nan 0.000 0.217 227 S C -0.689 173.933 174.600 0.036 0.000 0.996 227 S CA 0.569 58.780 58.200 0.019 0.000 0.921 227 S CB 0.623 63.889 63.200 0.109 0.000 0.829 227 S HN 0.585 8.835 8.310 -0.101 0.000 0.495 228 S N 2.601 118.332 115.700 0.052 0.000 2.655 228 S HA 0.421 nan 4.470 nan 0.000 0.265 228 S C -0.456 174.248 174.600 0.173 0.000 1.240 228 S CA 0.401 58.674 58.200 0.122 0.000 0.986 228 S CB 1.021 64.372 63.200 0.252 0.000 0.985 228 S HN -0.296 8.029 8.310 0.025 0.000 0.562 229 R N -2.399 118.242 120.500 0.234 0.000 2.707 229 R HA 0.658 nan 4.340 nan 0.000 0.272 229 R C -2.064 174.444 176.300 0.346 0.000 1.011 229 R CA -2.151 54.131 56.100 0.304 0.000 0.893 229 R CB 4.343 34.767 30.300 0.207 0.000 1.233 229 R HN -0.084 8.269 8.270 0.139 0.000 0.464 230 I N -2.839 117.941 120.570 0.350 0.000 2.530 230 I HA 0.835 nan 4.170 nan 0.000 0.297 230 I C -1.463 174.779 176.117 0.208 0.000 1.011 230 I CA -2.338 59.081 61.300 0.198 0.000 1.107 230 I CB 2.645 40.693 38.000 0.079 0.000 1.285 230 I HN 0.293 8.749 8.210 0.411 0.000 0.436 231 S N 3.736 119.537 115.700 0.169 0.000 2.475 231 S HA 0.664 nan 4.470 nan 0.000 0.298 231 S C -1.005 173.544 174.600 -0.086 0.000 1.119 231 S CA -1.002 57.255 58.200 0.094 0.000 1.085 231 S CB 1.446 64.767 63.200 0.202 0.000 1.028 231 S HN 0.161 8.540 8.310 0.115 0.000 0.489 232 I N 3.578 123.993 120.570 -0.258 0.000 2.428 232 I HA 0.402 nan 4.170 nan 0.000 0.296 232 I C -1.437 174.241 176.117 -0.730 0.000 0.985 232 I CA -1.420 59.666 61.300 -0.356 0.000 1.260 232 I CB -0.086 37.758 38.000 -0.261 0.000 1.389 232 I HN 0.378 8.483 8.210 -0.175 0.000 0.484 233 Y N 3.804 123.756 120.300 -0.580 0.000 2.665 233 Y HA 0.304 nan 4.550 nan 0.000 0.336 233 Y C -1.867 173.661 175.900 -0.620 0.000 1.085 233 Y CA -1.620 56.006 58.100 -0.790 0.000 1.096 233 Y CB 4.600 42.084 38.460 -1.626 0.000 1.301 233 Y HN 0.476 8.443 8.280 -0.521 0.000 0.493 234 W N -3.854 117.263 121.300 -0.306 0.000 3.167 234 W HA 0.635 nan 4.660 nan 0.000 0.324 234 W C -2.136 174.522 176.519 0.232 0.000 1.230 234 W CA -1.903 55.417 57.345 -0.042 0.000 1.184 234 W CB 3.025 32.464 29.460 -0.035 0.000 1.414 234 W HN -0.022 7.856 8.180 -0.503 0.000 0.551 235 T N 2.336 117.250 114.554 0.600 0.000 2.971 235 T HA 0.318 nan 4.350 nan 0.000 0.304 235 T C -1.878 173.148 174.700 0.543 0.000 1.038 235 T CA -0.407 61.971 62.100 0.464 0.000 1.007 235 T CB 2.760 71.922 68.868 0.491 0.000 1.055 235 T HN 0.568 9.233 8.240 0.709 0.000 0.451 236 I N 4.836 125.672 120.570 0.442 0.000 2.392 236 I HA 0.668 nan 4.170 nan 0.000 0.295 236 I C -0.722 175.566 176.117 0.285 0.000 0.985 236 I CA -0.460 61.066 61.300 0.377 0.000 1.221 236 I CB 1.844 40.056 38.000 0.354 0.000 1.366 236 I HN 0.187 8.602 8.210 0.340 0.000 0.467 237 V N 8.393 128.461 119.914 0.257 0.000 2.378 237 V HA 0.268 nan 4.120 nan 0.000 0.288 237 V C -1.090 175.058 176.094 0.090 0.000 1.016 237 V CA -1.575 60.837 62.300 0.187 0.000 0.840 237 V CB 1.249 33.234 31.823 0.271 0.000 0.994 237 V HN 0.954 9.180 8.190 0.242 0.109 0.431 238 K N 7.156 127.594 120.400 0.063 0.000 2.138 238 K HA 0.302 nan 4.320 nan 0.000 0.251 238 K C -2.320 174.263 176.600 -0.028 0.000 1.015 238 K CA -1.973 54.330 56.287 0.026 0.000 0.917 238 K CB -0.059 32.461 32.500 0.034 0.000 1.021 238 K HN 0.340 8.633 8.250 0.071 0.000 0.485 239 P HA -0.244 nan 4.420 nan 0.000 0.264 239 P C -0.586 176.671 177.300 -0.073 0.000 1.193 239 P CA 1.109 64.143 63.100 -0.110 0.000 0.763 239 P CB -0.274 31.362 31.700 -0.106 0.000 0.810 240 G N 4.218 112.966 108.800 -0.086 0.000 2.225 240 G HA2 -0.517 nan 3.960 nan 0.000 0.254 240 G HA3 -0.517 nan 3.960 nan 0.000 0.254 240 G C -1.010 173.865 174.900 -0.042 0.000 0.988 240 G CA 0.137 45.201 45.100 -0.060 0.000 0.625 240 G HN 0.468 8.687 8.290 -0.118 0.000 0.527 241 D N -0.408 119.972 120.400 -0.033 0.000 2.478 241 D HA 0.252 nan 4.640 nan 0.000 0.274 241 D C -1.658 174.632 176.300 -0.017 0.000 1.234 241 D CA -0.332 53.659 54.000 -0.015 0.000 1.069 241 D CB 2.922 43.726 40.800 0.007 0.000 1.113 241 D HN -0.486 7.789 8.370 -0.039 0.071 0.571 242 V N -1.695 118.214 119.914 -0.008 0.000 2.851 242 V HA 0.442 nan 4.120 nan 0.000 0.307 242 V C -1.905 174.180 176.094 -0.015 0.000 1.129 242 V CA -1.856 60.434 62.300 -0.016 0.000 0.932 242 V CB 3.293 35.098 31.823 -0.029 0.000 1.024 242 V HN -0.168 8.021 8.190 -0.001 0.000 0.426 243 L N 8.970 130.176 121.223 -0.028 0.000 2.312 243 L HA 0.541 nan 4.340 nan 0.000 0.281 243 L C -1.794 175.031 176.870 -0.074 0.000 1.070 243 L CA -0.660 54.136 54.840 -0.074 0.000 0.805 243 L CB 2.542 44.481 42.059 -0.200 0.000 1.174 243 L HN 0.449 8.559 8.230 -0.023 0.106 0.434 244 V N 7.771 127.632 119.914 -0.087 0.000 2.483 244 V HA 0.537 nan 4.120 nan 0.000 0.297 244 V C -1.499 174.524 176.094 -0.118 0.000 1.027 244 V CA -1.099 61.154 62.300 -0.078 0.000 0.855 244 V CB 2.163 33.949 31.823 -0.063 0.000 0.995 244 V HN 0.607 8.739 8.190 -0.097 0.000 0.424 245 I N 7.914 128.426 120.570 -0.097 0.000 2.362 245 I HA 0.514 nan 4.170 nan 0.000 0.289 245 I C -2.234 173.852 176.117 -0.052 0.000 0.994 245 I CA -0.902 60.316 61.300 -0.136 0.000 1.158 245 I CB 1.570 39.522 38.000 -0.080 0.000 1.315 245 I HN 0.718 8.899 8.210 -0.048 0.000 0.451 246 N N 8.522 127.166 118.700 -0.093 0.000 2.410 246 N HA 0.551 nan 4.740 nan 0.000 0.287 246 N C -2.507 172.977 175.510 -0.043 0.000 1.044 246 N CA -0.708 52.321 53.050 -0.036 0.000 0.881 246 N CB 3.480 41.939 38.487 -0.045 0.000 1.405 246 N HN 0.541 8.821 8.380 -0.168 0.000 0.490 247 S N 3.293 119.005 115.700 0.021 0.000 2.607 247 S HA 0.582 nan 4.470 nan 0.000 0.273 247 S C -2.591 172.073 174.600 0.107 0.000 1.148 247 S CA -1.181 57.032 58.200 0.022 0.000 0.833 247 S CB 2.893 66.095 63.200 0.004 0.000 1.130 247 S HN 0.559 8.802 8.310 0.066 0.106 0.470 248 N N 1.643 120.384 118.700 0.067 0.000 2.116 248 N HA 0.288 nan 4.740 nan 0.000 0.230 248 N C -1.303 174.156 175.510 -0.084 0.000 1.326 248 N CA -1.241 51.862 53.050 0.090 0.000 0.867 248 N CB 2.926 41.432 38.487 0.032 0.000 1.174 248 N HN -0.118 8.255 8.380 -0.011 0.000 0.506 249 G N -1.448 107.181 108.800 -0.284 0.000 2.352 249 G HA2 -0.063 nan 3.960 nan 0.000 0.303 249 G HA3 -0.063 nan 3.960 nan 0.000 0.303 249 G C -1.820 172.694 174.900 -0.644 0.000 1.593 249 G CA 0.182 44.824 45.100 -0.763 0.000 0.963 249 G HN -0.568 7.656 8.290 -0.111 0.000 0.685 250 N N -4.231 113.770 118.700 -1.166 0.000 2.909 250 N HA -0.465 nan 4.740 nan 0.000 0.242 250 N C -0.893 174.372 175.510 -0.408 0.000 0.975 250 N CA 1.770 54.204 53.050 -1.027 0.000 0.921 250 N CB -0.669 37.449 38.487 -0.616 0.000 1.112 250 N HN 0.488 7.875 8.380 -1.655 0.000 0.581 251 L N -0.439 120.651 121.223 -0.222 0.000 2.410 251 L HA 0.198 nan 4.340 nan 0.000 0.273 251 L C -1.762 175.075 176.870 -0.055 0.000 1.152 251 L CA 0.840 55.620 54.840 -0.099 0.000 0.855 251 L CB 0.790 42.784 42.059 -0.109 0.000 1.129 251 L HN -0.868 7.195 8.230 -0.202 0.045 0.463 252 I N 7.196 127.761 120.570 -0.008 0.000 2.337 252 I HA 0.279 nan 4.170 nan 0.000 0.285 252 I C -1.351 174.790 176.117 0.041 0.000 1.041 252 I CA -2.517 58.795 61.300 0.020 0.000 1.199 252 I CB -1.474 36.556 38.000 0.051 0.000 1.370 252 I HN 0.156 8.400 8.210 0.056 0.000 0.470 253 A N 8.886 131.643 122.820 -0.104 0.000 2.322 253 A HA 0.483 nan 4.320 nan 0.000 0.269 253 A C -2.608 175.001 177.584 0.043 0.000 1.094 253 A CA -2.581 49.345 52.037 -0.185 0.000 0.807 253 A CB -0.048 18.528 19.000 -0.706 0.000 1.047 253 A HN 0.795 8.853 8.150 -0.155 0.000 0.487 254 P HA 0.200 nan 4.420 nan 0.000 0.274 254 P C -0.685 176.824 177.300 0.349 0.000 1.231 254 P CA -0.265 63.019 63.100 0.306 0.000 0.790 254 P CB 0.764 32.724 31.700 0.434 0.000 0.951 255 R N -1.622 119.212 120.500 0.557 0.000 2.362 255 R HA 0.170 nan 4.340 nan 0.000 0.227 255 R C -0.450 176.246 176.300 0.661 0.000 0.905 255 R CA 0.368 56.843 56.100 0.624 0.000 1.067 255 R CB 1.313 31.939 30.300 0.545 0.000 1.078 255 R HN -0.210 8.414 8.270 0.590 0.000 0.516 256 G N -3.212 105.963 108.800 0.624 0.000 2.404 256 G HA2 0.137 nan 3.960 nan 0.000 0.253 256 G HA3 0.137 nan 3.960 nan 0.000 0.253 256 G C -3.085 171.786 174.900 -0.048 0.000 1.253 256 G CA 0.238 45.430 45.100 0.153 0.000 0.917 256 G HN -0.512 8.186 8.290 0.759 0.048 0.480 257 Y N -4.542 115.348 120.300 -0.684 0.000 2.536 257 Y HA 0.939 nan 4.550 nan 0.000 0.347 257 Y C -1.828 173.736 175.900 -0.561 0.000 1.000 257 Y CA -3.396 54.358 58.100 -0.576 0.000 1.051 257 Y CB 2.541 40.607 38.460 -0.657 0.000 1.259 257 Y HN -0.112 7.460 8.280 -1.181 0.000 0.468 258 F N 0.829 120.850 119.950 0.118 0.000 2.375 258 F HA 0.468 nan 4.527 nan 0.000 0.333 258 F C -0.574 175.344 175.800 0.196 0.000 1.104 258 F CA -0.472 57.621 58.000 0.155 0.000 1.149 258 F CB 1.949 41.055 39.000 0.177 0.000 1.190 258 F HN 0.524 9.108 8.300 0.474 0.000 0.533 259 K N 0.239 120.796 120.400 0.262 0.000 2.110 259 K HA 0.629 nan 4.320 nan 0.000 0.263 259 K C -0.923 175.729 176.600 0.087 0.000 0.975 259 K CA -1.300 55.096 56.287 0.182 0.000 0.895 259 K CB 1.395 33.860 32.500 -0.058 0.000 1.060 259 K HN 0.210 8.565 8.250 0.175 0.000 0.448 260 M N 2.768 122.407 119.600 0.064 0.000 2.363 260 M HA 0.272 nan 4.480 nan 0.000 0.343 260 M C -0.621 175.664 176.300 -0.026 0.000 1.165 260 M CA -0.186 55.128 55.300 0.022 0.000 1.046 260 M CB 1.993 34.623 32.600 0.051 0.000 1.648 260 M HN -0.358 7.994 8.290 0.104 0.000 0.452 261 R N -0.424 120.042 120.500 -0.057 0.000 2.922 261 R HA 0.408 nan 4.340 nan 0.000 0.256 261 R C -0.979 175.290 176.300 -0.052 0.000 1.138 261 R CA -1.604 54.460 56.100 -0.060 0.000 0.995 261 R CB 2.038 32.281 30.300 -0.095 0.000 1.226 261 R HN 0.115 8.343 8.270 -0.070 0.000 0.481 262 T N 1.879 116.408 114.554 -0.041 0.000 2.809 262 T HA 0.348 nan 4.350 nan 0.000 0.284 262 T C -1.068 173.612 174.700 -0.032 0.000 0.992 262 T CA -0.288 61.795 62.100 -0.028 0.000 0.957 262 T CB 0.457 69.319 68.868 -0.010 0.000 0.942 262 T HN 0.148 8.362 8.240 -0.043 0.000 0.439 263 G N 4.185 112.967 108.800 -0.030 0.000 2.578 263 G HA2 0.278 nan 3.960 nan 0.000 0.302 263 G HA3 0.278 nan 3.960 nan 0.000 0.302 263 G C -1.789 173.114 174.900 0.005 0.000 1.243 263 G CA 0.428 45.516 45.100 -0.021 0.000 0.843 263 G HN 0.088 8.362 8.290 -0.027 0.000 0.486 264 K N -0.711 119.708 120.400 0.032 0.000 2.493 264 K HA 0.173 nan 4.320 nan 0.000 0.207 264 K C -0.023 176.687 176.600 0.183 0.000 1.033 264 K CA -0.113 56.220 56.287 0.076 0.000 1.161 264 K CB -0.495 32.045 32.500 0.066 0.000 0.873 264 K HN 0.332 8.598 8.250 0.026 0.000 0.491 265 S N 1.129 116.896 115.700 0.112 0.000 2.601 265 S HA 0.188 nan 4.470 nan 0.000 0.271 265 S C -0.439 174.285 174.600 0.206 0.000 1.305 265 S CA 0.453 58.737 58.200 0.140 0.000 1.022 265 S CB 0.726 63.887 63.200 -0.064 0.000 0.940 265 S HN -0.341 7.915 8.310 0.035 0.075 0.525 266 S N 0.627 116.462 115.700 0.224 0.000 2.757 266 S HA 0.325 nan 4.470 nan 0.000 0.285 266 S C -2.391 172.268 174.600 0.098 0.000 1.196 266 S CA -1.183 57.115 58.200 0.163 0.000 0.856 266 S CB 1.997 65.323 63.200 0.209 0.000 1.212 266 S HN 0.314 8.751 8.310 0.212 0.000 0.516 267 I N -0.618 119.960 120.570 0.014 0.000 2.828 267 I HA 0.668 nan 4.170 nan 0.000 0.302 267 I C -2.307 173.788 176.117 -0.037 0.000 1.101 267 I CA -1.965 59.309 61.300 -0.042 0.000 1.031 267 I CB 3.703 41.631 38.000 -0.121 0.000 1.231 267 I HN 0.028 8.253 8.210 0.025 0.000 0.427 268 M N 5.041 124.621 119.600 -0.035 0.000 2.421 268 M HA 0.354 nan 4.480 nan 0.000 0.287 268 M C -2.401 173.887 176.300 -0.019 0.000 1.183 268 M CA -0.862 54.422 55.300 -0.027 0.000 0.916 268 M CB 4.379 36.955 32.600 -0.039 0.000 1.701 268 M HN 0.871 9.150 8.290 -0.020 0.000 0.470 269 R N 3.927 124.419 120.500 -0.014 0.000 2.255 269 R HA 0.687 nan 4.340 nan 0.000 0.326 269 R C -1.319 174.974 176.300 -0.012 0.000 0.986 269 R CA -0.439 55.654 56.100 -0.011 0.000 0.847 269 R CB 1.163 31.458 30.300 -0.008 0.000 1.111 269 R HN 0.354 8.616 8.270 -0.012 0.000 0.452 270 S N 3.310 119.002 115.700 -0.014 0.000 2.556 270 S HA 0.154 nan 4.470 nan 0.000 0.280 270 S C -1.498 173.095 174.600 -0.011 0.000 1.141 270 S CA -0.525 57.669 58.200 -0.011 0.000 0.883 270 S CB 1.973 65.165 63.200 -0.012 0.000 1.103 270 S HN 0.498 8.798 8.310 -0.016 0.000 0.453 271 D N 6.072 126.470 120.400 -0.004 0.000 2.368 271 D HA 0.136 nan 4.640 nan 0.000 0.218 271 D C -0.265 176.035 176.300 -0.000 0.000 1.112 271 D CA -0.008 53.992 54.000 -0.001 0.000 0.834 271 D CB 0.079 40.882 40.800 0.004 0.000 0.953 271 D HN 0.341 8.711 8.370 -0.001 0.000 0.505 272 A N 1.703 124.522 122.820 -0.001 0.000 2.462 272 A HA 0.154 nan 4.320 nan 0.000 0.243 272 A C -2.003 175.581 177.584 -0.001 0.000 1.076 272 A CA -1.129 50.910 52.037 0.003 0.000 0.773 272 A CB -0.349 18.655 19.000 0.007 0.000 1.010 272 A HN -0.424 7.656 8.150 -0.003 0.068 0.493 273 P HA 0.052 nan 4.420 nan 0.000 0.271 273 P C -1.450 175.850 177.300 0.000 0.000 1.216 273 P CA 0.224 63.324 63.100 0.001 0.000 0.776 273 P CB 0.388 32.091 31.700 0.004 0.000 0.881 274 I N 1.604 122.172 120.570 -0.004 0.000 2.440 274 I HA 0.457 nan 4.170 nan 0.000 0.294 274 I C -0.489 175.630 176.117 0.003 0.000 0.995 274 I CA 0.040 61.339 61.300 -0.001 0.000 1.306 274 I CB 1.555 39.548 38.000 -0.011 0.000 1.407 274 I HN 0.254 8.460 8.210 -0.007 0.000 0.501 275 D N 6.354 126.759 120.400 0.008 0.000 2.610 275 D HA 0.287 nan 4.640 nan 0.000 0.271 275 D C -2.003 174.303 176.300 0.010 0.000 1.174 275 D CA -1.910 52.095 54.000 0.009 0.000 0.949 275 D CB 4.391 45.198 40.800 0.011 0.000 1.430 275 D HN 0.402 8.779 8.370 0.012 0.000 0.467 276 T N 2.302 116.861 114.554 0.009 0.000 2.743 276 T HA 0.519 nan 4.350 nan 0.000 0.292 276 T C -0.595 174.110 174.700 0.009 0.000 0.972 276 T CA -0.791 61.314 62.100 0.008 0.000 0.967 276 T CB -0.567 68.304 68.868 0.005 0.000 0.926 276 T HN 0.107 8.351 8.240 0.008 0.000 0.459 277 c N 4.041 122.647 118.600 0.010 0.000 3.224 277 c HA 0.277 nan 4.570 nan 0.000 0.348 277 c C -2.276 171.820 174.090 0.009 0.000 1.242 277 c CA -2.016 54.319 56.329 0.010 0.000 1.180 277 c CB 2.050 44.568 42.510 0.013 0.000 1.458 277 c HN -0.054 8.325 8.230 0.011 -0.142 0.485 278 I N -1.430 119.143 120.570 0.004 0.000 2.392 278 I HA 0.543 nan 4.170 nan 0.000 0.295 278 I C -1.766 174.355 176.117 0.006 0.000 0.985 278 I CA -1.534 59.764 61.300 -0.003 0.000 1.221 278 I CB 1.881 39.872 38.000 -0.015 0.000 1.366 278 I HN -0.014 8.199 8.210 0.005 0.000 0.467 279 S N 6.293 122.000 115.700 0.013 0.000 2.592 279 S HA 0.188 nan 4.470 nan 0.000 0.275 279 S C -1.266 173.368 174.600 0.058 0.000 1.169 279 S CA -0.289 57.932 58.200 0.036 0.000 0.958 279 S CB 1.301 64.535 63.200 0.056 0.000 1.095 279 S HN 0.414 8.628 8.310 0.005 0.100 0.471 280 E N 6.229 126.466 120.200 0.063 0.000 2.170 280 E HA 0.001 nan 4.350 nan 0.000 0.191 280 E C -0.593 176.146 176.600 0.231 0.000 0.981 280 E CA 2.166 58.640 56.400 0.122 0.000 0.830 280 E CB 0.689 30.435 29.700 0.076 0.000 0.775 280 E HN 0.377 8.764 8.360 0.045 0.000 0.470 281 c N -0.634 118.054 118.600 0.147 0.000 2.295 281 c HA 0.578 nan 4.570 nan 0.000 0.331 281 c C -1.273 172.904 174.090 0.145 0.000 1.280 281 c CA -1.572 54.834 56.329 0.130 0.000 1.746 281 c CB -0.192 42.367 42.510 0.082 0.000 2.328 281 c HN -0.581 7.716 8.230 0.112 0.000 0.521 282 I N 9.439 130.110 120.570 0.167 0.000 2.474 282 I HA 0.368 nan 4.170 nan 0.000 0.294 282 I C -1.677 174.508 176.117 0.113 0.000 1.005 282 I CA -1.003 60.383 61.300 0.145 0.000 1.113 282 I CB 3.585 41.685 38.000 0.166 0.000 1.289 282 I HN 0.840 9.155 8.210 0.174 0.000 0.436 283 T N 7.008 121.610 114.554 0.081 0.000 2.907 283 T HA 0.517 nan 4.350 nan 0.000 0.292 283 T C -1.471 173.254 174.700 0.042 0.000 1.043 283 T CA -2.719 59.418 62.100 0.062 0.000 1.003 283 T CB 1.885 70.792 68.868 0.065 0.000 1.084 283 T HN -0.264 8.021 8.240 0.075 0.000 0.483 284 P HA 0.001 nan 4.420 nan 0.000 0.225 284 P C 0.075 177.385 177.300 0.017 0.000 1.148 284 P CA 1.687 64.796 63.100 0.014 0.000 0.779 284 P CB 0.174 31.876 31.700 0.004 0.000 0.780 285 N N -1.951 116.764 118.700 0.025 0.000 2.461 285 N HA -0.076 nan 4.740 nan 0.000 0.188 285 N C -0.468 175.060 175.510 0.030 0.000 1.134 285 N CA 0.277 53.343 53.050 0.027 0.000 0.878 285 N CB -0.273 38.235 38.487 0.035 0.000 0.972 285 N HN 0.109 8.489 8.380 0.029 0.017 0.456 286 G N -3.243 105.577 108.800 0.033 0.000 2.497 286 G HA2 -0.243 nan 3.960 nan 0.000 0.686 286 G HA3 -0.243 nan 3.960 nan 0.000 0.686 286 G C -0.726 174.203 174.900 0.048 0.000 1.288 286 G CA -0.765 44.356 45.100 0.035 0.000 0.899 286 G HN -0.387 7.743 8.290 0.032 0.179 0.608 287 S N 2.390 118.121 115.700 0.052 0.000 2.579 287 S HA 0.422 nan 4.470 nan 0.000 0.275 287 S C -0.569 174.064 174.600 0.055 0.000 1.345 287 S CA 1.907 60.145 58.200 0.063 0.000 1.031 287 S CB 0.679 63.917 63.200 0.064 0.000 0.892 287 S HN 0.287 8.516 8.310 0.046 0.109 0.529 288 I N -4.679 115.927 120.570 0.060 0.000 2.865 288 I HA 0.748 nan 4.170 nan 0.000 0.302 288 I C -2.705 173.439 176.117 0.046 0.000 1.140 288 I CA -4.079 57.252 61.300 0.052 0.000 1.021 288 I CB 2.732 40.767 38.000 0.059 0.000 1.233 288 I HN -0.392 7.860 8.210 0.069 0.000 0.427 289 P HA 0.142 nan 4.420 nan 0.000 0.286 289 P C -1.035 176.277 177.300 0.020 0.000 1.269 289 P CA -0.456 62.659 63.100 0.026 0.000 0.787 289 P CB 0.678 32.390 31.700 0.019 0.000 0.920 290 N N 2.752 121.461 118.700 0.015 0.000 2.466 290 N HA -0.073 nan 4.740 nan 0.000 0.251 290 N C -0.628 174.872 175.510 -0.017 0.000 1.164 290 N CA -0.501 52.550 53.050 0.001 0.000 0.888 290 N CB -1.416 37.073 38.487 0.004 0.000 1.177 290 N HN 0.312 8.702 8.380 0.017 0.000 0.498 291 D N -2.511 117.881 120.400 -0.014 0.000 2.162 291 D HA -0.171 nan 4.640 nan 0.000 0.203 291 D C 0.272 176.548 176.300 -0.040 0.000 0.967 291 D CA 1.297 55.284 54.000 -0.022 0.000 0.840 291 D CB -0.032 40.761 40.800 -0.010 0.000 0.972 291 D HN -0.303 7.968 8.370 -0.004 0.096 0.482 292 K N -0.159 120.218 120.400 -0.038 0.000 2.107 292 K HA 0.205 nan 4.320 nan 0.000 0.251 292 K C -1.149 175.367 176.600 -0.141 0.000 1.012 292 K CA -1.721 54.529 56.287 -0.061 0.000 0.920 292 K CB 0.412 32.901 32.500 -0.017 0.000 1.033 292 K HN -0.426 7.812 8.250 -0.021 0.000 0.478 293 P HA 0.126 nan 4.420 nan 0.000 0.230 293 P C -1.280 175.569 177.300 -0.753 0.000 1.168 293 P CA 1.071 63.816 63.100 -0.592 0.000 0.793 293 P CB 0.900 32.080 31.700 -0.866 0.000 0.851 294 F N -2.500 117.443 119.950 -0.011 0.000 2.593 294 F HA 0.664 nan 4.527 nan 0.000 0.320 294 F C -2.127 173.658 175.800 -0.026 0.000 1.060 294 F CA -1.948 56.037 58.000 -0.025 0.000 0.940 294 F CB 3.499 42.470 39.000 -0.048 0.000 1.268 294 F HN -0.350 7.871 8.300 -0.131 0.000 0.475 295 Q N -0.524 119.370 119.800 0.156 0.000 2.456 295 Q HA 0.591 nan 4.340 nan 0.000 0.284 295 Q C -2.018 173.978 176.000 -0.007 0.000 1.061 295 Q CA -1.377 54.479 55.803 0.088 0.000 0.799 295 Q CB 3.220 32.028 28.738 0.115 0.000 1.445 295 Q HN 0.782 9.066 8.270 0.171 0.089 0.411 296 N N -0.246 118.458 118.700 0.006 0.000 2.240 296 N HA 0.295 nan 4.740 nan 0.000 0.240 296 N C 0.799 176.412 175.510 0.172 0.000 1.277 296 N CA -0.388 52.623 53.050 -0.064 0.000 0.873 296 N CB 1.733 40.161 38.487 -0.097 0.000 1.222 296 N HN 0.403 8.813 8.380 0.050 0.000 0.507 297 V N 0.858 120.896 119.914 0.206 0.000 2.273 297 V HA -0.026 nan 4.120 nan 0.000 0.242 297 V C 0.003 176.219 176.094 0.203 0.000 1.035 297 V CA 2.368 64.770 62.300 0.170 0.000 1.013 297 V CB 0.263 32.156 31.823 0.116 0.000 0.652 297 V HN 0.338 8.927 8.190 0.198 -0.280 0.452 298 N N -3.923 114.905 118.700 0.213 0.000 2.504 298 N HA 0.147 nan 4.740 nan 0.000 0.268 298 N C -1.668 173.725 175.510 -0.195 0.000 1.184 298 N CA -0.535 52.524 53.050 0.014 0.000 0.875 298 N CB 2.465 40.954 38.487 0.004 0.000 1.630 298 N HN -0.616 8.181 8.380 0.269 -0.255 0.486 299 K N -0.304 119.736 120.400 -0.601 0.000 2.486 299 K HA -0.101 nan 4.320 nan 0.000 0.194 299 K C 0.307 176.778 176.600 -0.215 0.000 1.033 299 K CA 1.056 56.960 56.287 -0.639 0.000 1.004 299 K CB -0.013 32.064 32.500 -0.705 0.000 0.798 299 K HN 0.313 8.251 8.250 -0.518 0.000 0.495 300 I N 2.860 123.352 120.570 -0.130 0.000 2.312 300 I HA 0.048 nan 4.170 nan 0.000 0.291 300 I C -1.555 174.566 176.117 0.006 0.000 1.031 300 I CA -0.129 61.144 61.300 -0.045 0.000 1.293 300 I CB 0.168 38.147 38.000 -0.036 0.000 1.403 300 I HN -0.401 7.974 8.210 -0.145 -0.252 0.484 301 T N 4.900 119.475 114.554 0.035 0.000 2.865 301 T HA 0.572 nan 4.350 nan 0.000 0.294 301 T C -2.242 172.524 174.700 0.110 0.000 1.119 301 T CA -2.180 59.962 62.100 0.069 0.000 1.007 301 T CB 3.047 71.950 68.868 0.059 0.000 1.225 301 T HN 0.091 8.346 8.240 0.026 0.000 0.515 302 Y N 0.998 121.286 120.300 -0.021 0.000 2.433 302 Y HA 0.303 nan 4.550 nan 0.000 0.337 302 Y C -1.624 174.229 175.900 -0.079 0.000 1.026 302 Y CA -0.126 57.936 58.100 -0.063 0.000 1.037 302 Y CB 2.781 41.185 38.460 -0.092 0.000 1.245 302 Y HN 0.398 8.772 8.280 0.156 0.000 0.443 303 G N 5.737 114.152 108.800 -0.641 0.000 2.466 303 G HA2 -0.274 nan 3.960 nan 0.000 0.316 303 G HA3 -0.274 nan 3.960 nan 0.000 0.316 303 G C -2.220 172.606 174.900 -0.124 0.000 1.270 303 G CA -0.567 44.323 45.100 -0.350 0.000 0.982 303 G HN 0.041 7.869 8.290 -0.769 0.000 0.506 304 A N 1.824 124.640 122.820 -0.007 0.000 2.671 304 A HA 0.222 nan 4.320 nan 0.000 0.306 304 A C -0.961 176.628 177.584 0.008 0.000 1.473 304 A CA -0.025 52.009 52.037 -0.005 0.000 1.155 304 A CB -0.806 18.201 19.000 0.012 0.000 1.123 304 A HN 0.099 8.292 8.150 0.072 0.000 0.545 305 c N 3.414 122.015 118.600 0.001 0.000 2.719 305 c HA 0.393 nan 4.570 nan 0.000 0.327 305 c C -2.522 171.577 174.090 0.016 0.000 1.238 305 c CA -2.889 53.453 56.329 0.022 0.000 1.727 305 c CB 0.816 43.350 42.510 0.041 0.000 2.256 305 c HN -0.132 8.090 8.230 -0.013 0.000 0.489 306 P HA 0.053 nan 4.420 nan 0.000 0.274 306 P C -1.805 175.538 177.300 0.071 0.000 1.237 306 P CA -0.596 62.506 63.100 0.003 0.000 0.793 306 P CB 0.619 32.320 31.700 0.002 0.000 0.977 307 K N 0.794 121.253 120.400 0.099 0.000 2.339 307 K HA 0.037 nan 4.320 nan 0.000 0.286 307 K C -0.101 176.655 176.600 0.260 0.000 1.050 307 K CA -0.192 56.218 56.287 0.204 0.000 0.956 307 K CB 0.641 33.314 32.500 0.288 0.000 0.990 307 K HN 0.018 8.278 8.250 0.017 0.000 0.475 308 Y N 3.913 124.285 120.300 0.119 0.000 2.511 308 Y HA 0.066 nan 4.550 nan 0.000 0.332 308 Y C -1.065 174.880 175.900 0.076 0.000 1.177 308 Y CA 1.517 59.671 58.100 0.091 0.000 1.422 308 Y CB 0.634 39.127 38.460 0.055 0.000 1.271 308 Y HN -0.061 8.400 8.280 0.302 0.000 0.550 309 V N 6.858 126.335 119.914 -0.728 0.000 3.049 309 V HA 0.213 nan 4.120 nan 0.000 0.309 309 V C -1.097 174.587 176.094 -0.683 0.000 1.148 309 V CA -0.996 61.009 62.300 -0.491 0.000 0.990 309 V CB 3.657 35.281 31.823 -0.331 0.000 1.039 309 V HN 0.046 7.528 8.190 -1.180 0.000 0.430 310 K N 0.551 120.748 120.400 -0.338 0.000 2.155 310 K HA -0.130 nan 4.320 nan 0.000 0.203 310 K C -0.383 176.109 176.600 -0.180 0.000 1.052 310 K CA 1.451 57.617 56.287 -0.202 0.000 0.948 310 K CB 0.297 32.753 32.500 -0.073 0.000 0.728 310 K HN 0.291 8.399 8.250 -0.236 0.000 0.448 311 Q N -1.765 117.924 119.800 -0.185 0.000 2.392 311 Q HA -0.060 nan 4.340 nan 0.000 0.262 311 Q C -0.910 175.022 176.000 -0.114 0.000 1.003 311 Q CA 0.590 56.314 55.803 -0.132 0.000 0.888 311 Q CB 0.513 29.168 28.738 -0.138 0.000 1.260 311 Q HN -0.438 7.701 8.270 -0.218 0.000 0.435 312 N N -2.755 115.905 118.700 -0.066 0.000 2.220 312 N HA -0.052 nan 4.740 nan 0.000 0.195 312 N C -1.297 174.199 175.510 -0.023 0.000 1.123 312 N CA 0.107 53.132 53.050 -0.042 0.000 0.874 312 N CB 0.898 39.373 38.487 -0.020 0.000 0.995 312 N HN 0.079 8.426 8.380 -0.054 0.000 0.498 313 T N -0.373 114.165 114.554 -0.027 0.000 3.032 313 T HA 0.300 nan 4.350 nan 0.000 0.312 313 T C -2.494 172.196 174.700 -0.016 0.000 1.078 313 T CA -0.263 61.830 62.100 -0.011 0.000 1.028 313 T CB 1.217 70.081 68.868 -0.006 0.000 1.091 313 T HN -0.893 7.324 8.240 -0.039 0.000 0.457 314 L N 6.112 127.337 121.223 0.004 0.000 2.504 314 L HA 0.457 nan 4.340 nan 0.000 0.265 314 L C -1.685 175.205 176.870 0.032 0.000 0.975 314 L CA -0.252 54.591 54.840 0.006 0.000 0.864 314 L CB 3.548 45.604 42.059 -0.006 0.000 1.212 314 L HN 0.706 9.315 8.230 0.023 -0.365 0.416 315 K N 3.565 123.977 120.400 0.020 0.000 2.227 315 K HA 0.455 nan 4.320 nan 0.000 0.280 315 K C -1.180 175.436 176.600 0.027 0.000 1.041 315 K CA -0.828 55.473 56.287 0.023 0.000 0.905 315 K CB 0.980 33.488 32.500 0.014 0.000 1.068 315 K HN 0.009 8.264 8.250 0.009 0.000 0.470 316 L N 5.800 127.043 121.223 0.033 0.000 2.257 316 L HA 0.133 nan 4.340 nan 0.000 0.290 316 L C -1.591 175.293 176.870 0.023 0.000 1.044 316 L CA -1.421 53.439 54.840 0.032 0.000 0.810 316 L CB 2.123 44.206 42.059 0.040 0.000 1.193 316 L HN 0.773 9.024 8.230 0.036 0.000 0.425 317 A N 6.561 129.392 122.820 0.019 0.000 2.524 317 A HA -0.074 nan 4.320 nan 0.000 0.250 317 A C -0.099 177.497 177.584 0.019 0.000 1.078 317 A CA 0.901 52.948 52.037 0.017 0.000 0.761 317 A CB 0.069 19.077 19.000 0.014 0.000 1.012 317 A HN 0.338 8.499 8.150 0.018 0.000 0.500 318 T N -1.096 113.471 114.554 0.022 0.000 3.266 318 T HA 0.277 nan 4.350 nan 0.000 0.278 318 T C -0.198 174.523 174.700 0.035 0.000 1.010 318 T CA -0.831 61.283 62.100 0.024 0.000 0.909 318 T CB -0.008 68.874 68.868 0.023 0.000 1.122 318 T HN 0.363 8.505 8.240 0.022 0.112 0.536 319 G N 1.745 110.568 108.800 0.038 0.000 2.600 319 G HA2 0.277 nan 3.960 nan 0.000 0.293 319 G HA3 0.277 nan 3.960 nan 0.000 0.293 319 G C -2.060 172.871 174.900 0.051 0.000 1.408 319 G CA 0.052 45.190 45.100 0.064 0.000 0.782 319 G HN -0.797 7.450 8.290 0.029 0.061 0.482 320 M N -2.416 117.229 119.600 0.075 0.000 2.055 320 M HA 0.151 nan 4.480 nan 0.000 0.279 320 M C -0.478 175.835 176.300 0.022 0.000 1.236 320 M CA 0.773 56.091 55.300 0.030 0.000 1.074 320 M CB 1.039 33.648 32.600 0.014 0.000 1.394 320 M HN 0.185 8.559 8.290 0.141 0.000 0.492 321 R N -1.463 119.030 120.500 -0.012 0.000 2.623 321 R HA -0.217 nan 4.340 nan 0.000 0.271 321 R C -0.741 175.574 176.300 0.026 0.000 1.043 321 R CA 0.875 56.974 56.100 -0.002 0.000 1.083 321 R CB 0.544 30.834 30.300 -0.018 0.000 0.974 321 R HN 0.166 8.410 8.270 -0.044 0.000 0.436 322 N N 4.192 122.908 118.700 0.026 0.000 2.420 322 N HA -0.025 nan 4.740 nan 0.000 0.249 322 N C -0.953 174.588 175.510 0.051 0.000 1.033 322 N CA 0.062 53.130 53.050 0.030 0.000 0.944 322 N CB 0.641 39.126 38.487 -0.003 0.000 1.113 322 N HN -0.063 8.326 8.380 0.015 0.000 0.502 323 V N 6.069 126.045 119.914 0.103 0.000 2.225 323 V HA 0.322 nan 4.120 nan 0.000 0.264 323 V C -1.075 175.052 176.094 0.055 0.000 1.067 323 V CA -3.085 59.270 62.300 0.093 0.000 0.903 323 V CB -0.909 31.012 31.823 0.162 0.000 1.136 323 V HN 0.066 8.353 8.190 0.162 0.000 0.456 324 P HA 0.086 nan 4.420 nan 0.000 0.269 324 P C -0.812 176.484 177.300 -0.006 0.000 1.215 324 P CA -0.812 62.287 63.100 -0.002 0.000 0.780 324 P CB 1.355 33.050 31.700 -0.008 0.000 0.898 325 E N 3.674 123.863 120.200 -0.017 0.000 2.427 325 E HA -0.038 nan 4.350 nan 0.000 0.259 325 E C -0.653 175.938 176.600 -0.014 0.000 1.267 325 E CA -0.533 55.855 56.400 -0.021 0.000 1.425 325 E CB -1.302 28.378 29.700 -0.032 0.000 1.482 325 E HN 0.247 8.595 8.360 -0.020 0.000 0.460 326 K N -1.017 119.377 120.400 -0.010 0.000 6.689 326 K HA -0.304 nan 4.320 nan 0.000 0.401 326 K C -1.908 174.688 176.600 -0.008 0.000 1.689 326 K CA 0.308 56.590 56.287 -0.008 0.000 0.976 326 K CB -0.983 31.513 32.500 -0.008 0.000 1.192 326 K HN -0.103 8.091 8.250 -0.007 0.051 0.408 327 Q N 1.837 121.632 119.800 -0.008 0.000 3.429 327 Q HA 0.077 nan 4.340 nan 0.000 0.190 327 Q C -2.173 173.822 176.000 -0.009 0.000 0.807 327 Q CA 0.542 56.339 55.803 -0.010 0.000 0.854 327 Q CB 0.472 29.206 28.738 -0.008 0.000 1.481 327 Q HN 0.369 8.634 8.270 -0.008 0.000 0.463 328 T N 0.000 114.547 114.554 -0.011 0.000 3.816 328 T HA 0.000 nan 4.350 nan 0.000 0.228 328 T CA 0.000 62.094 62.100 -0.009 0.000 1.349 328 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 328 T HN 0.000 8.232 8.240 -0.013 0.000 0.658