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 2npm_1_A DATA FIRST_RESID 21 DATA SEQUENCE MSDSVNARES NVYMAKLAEQ AERYDEMAKY MKDVVEARQE XXELTVEERN DATA SEQUENCE LLSVAYKNAV GSRRSSWRII SSVEQKEHSR NAEDASKMCG KYRSKVEAEL DATA SEQUENCE TDICNDILTM LDKHLIPTAT SPDSKVFYFK MKGDYHRYIS EFSTGDSKQS DATA SEQUENCE SAEDALKAYK DATVVAKDLE PTHPIRLGLA LNFSVFHYEI LNEPRAAIDM DATA SEQUENCE AKEAFEMAIE QLDKLSEDCY KDSTLIMQLL RDNLTLWTA 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 21 M HA 0.000 nan 4.480 nan 0.000 0.227 21 M C 0.000 176.298 176.300 -0.004 0.000 1.140 21 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 21 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 22 S N 1.027 116.724 115.700 -0.004 0.000 2.399 22 S HA -0.171 4.298 4.470 -0.001 0.000 0.231 22 S C 1.544 176.140 174.600 -0.006 0.000 1.022 22 S CA 2.359 60.556 58.200 -0.005 0.000 0.983 22 S CB -0.359 62.838 63.200 -0.006 0.000 0.803 22 S HN 0.799 nan 8.310 nan 0.000 0.480 23 D N -0.086 120.311 120.400 -0.006 0.000 2.264 23 D HA 0.059 4.698 4.640 -0.001 0.000 0.208 23 D C 2.474 178.771 176.300 -0.005 0.000 0.966 23 D CA 1.027 55.023 54.000 -0.006 0.000 0.864 23 D CB -0.678 40.120 40.800 -0.005 0.000 0.933 23 D HN 0.721 nan 8.370 nan 0.000 0.499 24 S N -0.022 115.675 115.700 -0.004 0.000 2.406 24 S HA 0.217 4.686 4.470 -0.001 0.000 0.224 24 S C 2.306 176.904 174.600 -0.003 0.000 1.030 24 S CA 1.041 59.240 58.200 -0.003 0.000 0.958 24 S CB -0.660 62.538 63.200 -0.003 0.000 0.811 24 S HN 0.428 nan 8.310 nan 0.000 0.489 25 V N 1.653 121.565 119.914 -0.004 0.000 2.343 25 V HA -0.141 3.978 4.120 -0.001 0.000 0.247 25 V C 2.352 178.443 176.094 -0.004 0.000 1.051 25 V CA 2.861 65.159 62.300 -0.004 0.000 1.036 25 V CB -2.007 29.814 31.823 -0.004 0.000 0.654 25 V HN 0.714 nan 8.190 nan 0.000 0.451 26 N N 0.401 119.096 118.700 -0.008 0.000 2.142 26 N HA 0.025 4.764 4.740 -0.001 0.000 0.186 26 N C 2.285 177.789 175.510 -0.011 0.000 1.023 26 N CA 2.685 55.727 53.050 -0.014 0.000 0.852 26 N CB -0.650 37.825 38.487 -0.019 0.000 0.998 26 N HN 1.051 nan 8.380 nan 0.000 0.424 27 A N 0.388 123.206 122.820 -0.004 0.000 1.940 27 A HA 0.065 4.384 4.320 -0.001 0.000 0.219 27 A C 2.669 180.259 177.584 0.011 0.000 1.176 27 A CA 2.691 54.730 52.037 0.004 0.000 0.631 27 A CB -0.923 18.082 19.000 0.008 0.000 0.814 27 A HN 0.861 nan 8.150 nan 0.000 0.446 28 R N -1.309 119.196 120.500 0.008 0.000 2.066 28 R HA 0.021 4.360 4.340 -0.001 0.000 0.232 28 R C 2.328 178.638 176.300 0.017 0.000 1.131 28 R CA 2.426 58.534 56.100 0.014 0.000 0.955 28 R CB -1.878 28.426 30.300 0.007 0.000 0.851 28 R HN 0.809 nan 8.270 nan 0.000 0.432 29 E N 0.488 120.695 120.200 0.011 0.000 2.160 29 E HA -0.194 4.155 4.350 -0.001 0.000 0.195 29 E C 2.249 178.866 176.600 0.029 0.000 0.991 29 E CA 1.942 58.353 56.400 0.019 0.000 0.810 29 E CB -0.840 28.864 29.700 0.008 0.000 0.742 29 E HN 0.797 nan 8.360 nan 0.000 0.466 30 S N 0.625 116.327 115.700 0.002 0.000 2.357 30 S HA -0.194 4.275 4.470 -0.001 0.000 0.221 30 S C 1.985 176.579 174.600 -0.011 0.000 1.031 30 S CA 1.397 59.586 58.200 -0.018 0.000 0.982 30 S CB -0.310 62.865 63.200 -0.042 0.000 0.853 30 S HN 0.548 nan 8.310 nan 0.000 0.458 31 N N 1.219 119.920 118.700 0.001 0.000 2.166 31 N HA -0.028 4.711 4.740 -0.001 0.000 0.186 31 N C 1.795 177.288 175.510 -0.028 0.000 1.019 31 N CA 1.285 54.332 53.050 -0.004 0.000 0.856 31 N CB -0.817 37.728 38.487 0.097 0.000 0.993 31 N HN 0.311 nan 8.380 nan 0.000 0.426 32 V N 0.639 120.564 119.914 0.017 0.000 2.295 32 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 32 V C 2.007 178.098 176.094 -0.005 0.000 1.049 32 V CA 1.437 63.748 62.300 0.018 0.000 1.024 32 V CB -0.693 31.149 31.823 0.031 0.000 0.648 32 V HN 0.291 nan 8.190 nan 0.000 0.447 33 Y N -0.229 120.010 120.300 -0.101 0.000 2.128 33 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 33 Y C 2.566 178.351 175.900 -0.192 0.000 1.154 33 Y CA 2.059 60.089 58.100 -0.117 0.000 1.149 33 Y CB -0.069 38.329 38.460 -0.103 0.000 0.976 33 Y HN 0.122 nan 8.280 nan 0.000 0.505 34 M N -0.233 119.300 119.600 -0.113 0.000 2.175 34 M HA -0.111 4.368 4.480 -0.001 0.000 0.264 34 M C 2.526 178.538 176.300 -0.480 0.000 1.063 34 M CA 1.445 56.451 55.300 -0.491 0.000 1.119 34 M CB -1.766 30.094 32.600 -1.233 0.000 1.377 34 M HN 0.462 nan 8.290 nan 0.000 0.415 35 A N 0.529 123.178 122.820 -0.284 0.000 1.892 35 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 35 A C 2.335 179.889 177.584 -0.051 0.000 1.188 35 A CA 1.956 53.985 52.037 -0.013 0.000 0.631 35 A CB -0.646 18.394 19.000 0.067 0.000 0.822 35 A HN 0.468 nan 8.150 nan 0.000 0.447 36 K N -1.247 119.075 120.400 -0.129 0.000 2.097 36 K HA -0.062 4.257 4.320 -0.001 0.000 0.205 36 K C 1.898 178.382 176.600 -0.194 0.000 1.050 36 K CA 1.213 57.409 56.287 -0.151 0.000 0.938 36 K CB -0.249 32.128 32.500 -0.205 0.000 0.718 36 K HN 0.402 nan 8.250 nan 0.000 0.442 37 L N 0.743 121.804 121.223 -0.270 0.000 2.056 37 L HA -0.058 4.281 4.340 -0.001 0.000 0.207 37 L C 2.102 178.896 176.870 -0.127 0.000 1.078 37 L CA 1.640 56.347 54.840 -0.222 0.000 0.749 37 L CB -0.555 41.370 42.059 -0.223 0.000 0.901 37 L HN 0.076 nan 8.230 nan 0.000 0.433 38 A N -0.851 121.918 122.820 -0.085 0.000 1.972 38 A HA -0.264 4.055 4.320 -0.001 0.000 0.219 38 A C 2.306 179.787 177.584 -0.171 0.000 1.169 38 A CA 1.804 53.809 52.037 -0.055 0.000 0.635 38 A CB -0.662 18.391 19.000 0.088 0.000 0.810 38 A HN 0.639 nan 8.150 nan 0.000 0.446 39 E N -0.290 119.836 120.200 -0.124 0.000 2.028 39 E HA -0.244 4.105 4.350 -0.001 0.000 0.191 39 E C 2.141 178.654 176.600 -0.146 0.000 0.988 39 E CA 1.271 57.597 56.400 -0.125 0.000 0.799 39 E CB -0.234 29.490 29.700 0.040 0.000 0.755 39 E HN 0.737 nan 8.360 nan 0.000 0.447 40 Q N -0.158 119.580 119.800 -0.103 0.000 2.152 40 Q HA -0.169 4.170 4.340 -0.001 0.000 0.206 40 Q C 2.053 177.992 176.000 -0.103 0.000 0.985 40 Q CA 1.483 57.234 55.803 -0.085 0.000 0.863 40 Q CB -0.169 28.517 28.738 -0.086 0.000 0.904 40 Q HN 0.353 nan 8.270 nan 0.000 0.422 41 A N 0.483 123.225 122.820 -0.131 0.000 2.206 41 A HA -0.094 4.225 4.320 -0.001 0.000 0.211 41 A C 0.279 177.746 177.584 -0.195 0.000 1.158 41 A CA 0.516 52.477 52.037 -0.126 0.000 0.761 41 A CB -0.064 18.878 19.000 -0.097 0.000 0.801 41 A HN 0.441 nan 8.150 nan 0.000 0.473 42 E N -1.446 118.544 120.200 -0.350 0.000 2.513 42 E HA -0.197 4.152 4.350 -0.001 0.000 0.257 42 E C -0.501 175.741 176.600 -0.597 0.000 1.098 42 E CA 0.426 56.469 56.400 -0.596 0.000 0.752 42 E CB -1.284 28.290 29.700 -0.209 0.000 1.324 42 E HN 0.694 nan 8.360 nan 0.000 0.403 43 R N 0.487 120.672 120.500 -0.525 0.000 2.423 43 R HA 0.223 4.562 4.340 -0.001 0.000 0.293 43 R C 0.094 176.223 176.300 -0.284 0.000 1.196 43 R CA -0.319 55.611 56.100 -0.284 0.000 1.262 43 R CB 0.324 30.543 30.300 -0.135 0.000 1.116 43 R HN 0.124 nan 8.270 nan 0.000 0.566 44 Y N 0.308 120.594 120.300 -0.023 0.000 2.337 44 Y HA -0.109 4.440 4.550 -0.002 0.000 0.293 44 Y C 1.640 177.479 175.900 -0.102 0.000 1.123 44 Y CA 0.780 58.851 58.100 -0.048 0.000 1.201 44 Y CB 0.192 38.624 38.460 -0.046 0.000 1.011 44 Y HN 0.396 nan 8.280 nan 0.000 0.545 45 D N 0.477 120.903 120.400 0.043 0.000 2.116 45 D HA -0.183 4.456 4.640 -0.001 0.000 0.193 45 D C 1.797 178.036 176.300 -0.101 0.000 0.998 45 D CA 1.716 55.684 54.000 -0.053 0.000 0.836 45 D CB -0.248 40.530 40.800 -0.037 0.000 0.951 45 D HN 0.474 nan 8.370 nan 0.000 0.449 46 E N -0.025 120.121 120.200 -0.090 0.000 2.150 46 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 46 E C 2.098 178.645 176.600 -0.089 0.000 0.985 46 E CA 0.292 56.596 56.400 -0.160 0.000 0.814 46 E CB -0.104 29.529 29.700 -0.111 0.000 0.752 46 E HN 0.258 nan 8.360 nan 0.000 0.466 47 M N 0.897 120.523 119.600 0.044 0.000 2.080 47 M HA -0.211 4.268 4.480 -0.001 0.000 0.260 47 M C 2.329 178.671 176.300 0.072 0.000 1.068 47 M CA 1.791 57.179 55.300 0.146 0.000 1.109 47 M CB -0.107 32.576 32.600 0.138 0.000 1.342 47 M HN 0.172 nan 8.290 nan 0.000 0.405 48 A N 0.793 123.556 122.820 -0.094 0.000 1.865 48 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 48 A C 2.313 179.848 177.584 -0.083 0.000 1.191 48 A CA 3.002 54.859 52.037 -0.299 0.000 0.623 48 A CB -1.394 17.104 19.000 -0.836 0.000 0.826 48 A HN 0.595 nan 8.150 nan 0.000 0.444 49 K N -1.321 119.007 120.400 -0.120 0.000 2.103 49 K HA -0.194 4.125 4.320 -0.001 0.000 0.207 49 K C 1.870 178.421 176.600 -0.081 0.000 1.048 49 K CA 1.889 58.108 56.287 -0.114 0.000 0.930 49 K CB -1.277 31.084 32.500 -0.232 0.000 0.716 49 K HN 0.641 nan 8.250 nan 0.000 0.444 50 Y N 0.254 120.564 120.300 0.016 0.000 2.181 50 Y HA -0.103 4.446 4.550 -0.002 0.000 0.288 50 Y C 2.578 178.500 175.900 0.037 0.000 1.146 50 Y CA 1.517 59.632 58.100 0.025 0.000 1.164 50 Y CB -0.155 38.319 38.460 0.023 0.000 0.982 50 Y HN 0.091 nan 8.280 nan 0.000 0.515 51 M N -0.017 119.712 119.600 0.215 0.000 2.319 51 M HA -0.138 4.341 4.480 -0.001 0.000 0.265 51 M C 2.128 178.509 176.300 0.135 0.000 1.068 51 M CA 1.277 56.678 55.300 0.168 0.000 1.118 51 M CB -0.969 31.746 32.600 0.191 0.000 1.395 51 M HN 0.240 nan 8.290 nan 0.000 0.435 52 K N 0.449 120.937 120.400 0.146 0.000 2.097 52 K HA -0.177 4.143 4.320 -0.001 0.000 0.205 52 K C 1.061 177.670 176.600 0.016 0.000 1.050 52 K CA 1.583 57.925 56.287 0.092 0.000 0.938 52 K CB 0.062 32.639 32.500 0.128 0.000 0.718 52 K HN 0.131 nan 8.250 nan 0.000 0.442 53 D N 0.432 120.854 120.400 0.037 0.000 2.264 53 D HA -0.096 4.543 4.640 -0.001 0.000 0.208 53 D C 1.844 178.149 176.300 0.008 0.000 0.966 53 D CA 0.596 54.607 54.000 0.019 0.000 0.864 53 D CB 0.103 40.934 40.800 0.051 0.000 0.933 53 D HN 0.045 nan 8.370 nan 0.000 0.499 54 V N 0.271 120.201 119.914 0.027 0.000 2.379 54 V HA -0.173 3.947 4.120 -0.001 0.000 0.245 54 V C 2.496 178.559 176.094 -0.051 0.000 1.044 54 V CA 0.910 63.214 62.300 0.007 0.000 1.036 54 V CB -0.232 31.612 31.823 0.035 0.000 0.664 54 V HN 0.067 nan 8.190 nan 0.000 0.453 55 V N 0.035 119.900 119.914 -0.082 0.000 2.229 55 V HA -0.227 3.892 4.120 -0.001 0.000 0.243 55 V C 2.360 178.243 176.094 -0.353 0.000 1.042 55 V CA 2.025 64.212 62.300 -0.189 0.000 1.000 55 V CB -0.732 30.980 31.823 -0.185 0.000 0.637 55 V HN 0.586 nan 8.190 nan 0.000 0.446 56 E N 0.608 120.594 120.200 -0.357 0.000 2.331 56 E HA -0.112 4.237 4.350 -0.001 0.000 0.199 56 E C 1.121 177.588 176.600 -0.222 0.000 1.008 56 E CA 1.072 57.217 56.400 -0.425 0.000 0.843 56 E CB -0.166 29.423 29.700 -0.185 0.000 0.761 56 E HN 0.556 nan 8.360 nan 0.000 0.507 57 A N 1.570 124.306 122.820 -0.139 0.000 3.215 57 A HA 0.306 4.625 4.320 -0.001 0.000 0.320 57 A C -0.225 177.326 177.584 -0.056 0.000 1.084 57 A CA -0.496 51.501 52.037 -0.067 0.000 0.969 57 A CB 0.234 19.215 19.000 -0.033 0.000 1.064 57 A HN -0.115 nan 8.150 nan 0.000 0.513 58 R N -0.401 120.061 120.500 -0.063 0.000 2.808 58 R HA 0.737 5.076 4.340 -0.001 0.000 0.272 58 R C -0.334 175.956 176.300 -0.017 0.000 0.995 58 R CA -0.243 55.832 56.100 -0.041 0.000 0.917 58 R CB 1.365 31.630 30.300 -0.059 0.000 1.217 58 R HN 0.615 nan 8.270 nan 0.000 0.471 59 Q N 0.490 120.283 119.800 -0.011 0.000 2.257 59 Q HA 0.571 4.910 4.340 -0.001 0.000 0.255 59 Q C 0.383 176.380 176.000 -0.004 0.000 0.920 59 Q CA -0.069 55.732 55.803 -0.004 0.000 0.927 59 Q CB 0.393 29.128 28.738 -0.004 0.000 1.229 59 Q HN 0.739 nan 8.270 nan 0.000 0.433 64 L N 2.051 123.282 121.223 0.013 0.000 2.483 64 L HA 0.179 4.518 4.340 -0.001 0.000 0.275 64 L C 1.339 178.210 176.870 0.003 0.000 1.220 64 L CA 0.182 55.031 54.840 0.015 0.000 0.833 64 L CB -0.123 41.960 42.059 0.041 0.000 1.102 64 L HN 0.660 nan 8.230 nan 0.000 0.490 65 T N -1.484 113.063 114.554 -0.012 0.000 2.770 65 T HA 0.181 4.530 4.350 -0.001 0.000 0.281 65 T C 1.225 175.886 174.700 -0.066 0.000 0.981 65 T CA -0.809 61.273 62.100 -0.029 0.000 0.955 65 T CB 1.221 70.077 68.868 -0.019 0.000 1.060 65 T HN 0.260 nan 8.240 nan 0.000 0.531 66 V N 0.832 120.698 119.914 -0.080 0.000 2.332 66 V HA -0.136 3.983 4.120 -0.001 0.000 0.248 66 V C 2.874 178.915 176.094 -0.089 0.000 1.055 66 V CA 2.470 64.698 62.300 -0.120 0.000 1.038 66 V CB -1.050 30.724 31.823 -0.082 0.000 0.651 66 V HN 1.060 nan 8.190 nan 0.000 0.450 67 E N -0.022 120.153 120.200 -0.042 0.000 2.085 67 E HA -0.277 4.072 4.350 -0.001 0.000 0.194 67 E C 2.125 178.723 176.600 -0.004 0.000 0.994 67 E CA 1.877 58.267 56.400 -0.016 0.000 0.801 67 E CB -0.050 29.647 29.700 -0.005 0.000 0.743 67 E HN 0.758 nan 8.360 nan 0.000 0.453 68 E N 0.306 120.503 120.200 -0.005 0.000 2.046 68 E HA -0.174 4.175 4.350 -0.001 0.000 0.190 68 E C 2.308 178.930 176.600 0.036 0.000 0.982 68 E CA 0.668 57.082 56.400 0.023 0.000 0.800 68 E CB -0.271 29.442 29.700 0.022 0.000 0.756 68 E HN 0.162 nan 8.360 nan 0.000 0.449 69 R N 1.379 121.867 120.500 -0.020 0.000 2.113 69 R HA -0.226 4.113 4.340 -0.001 0.000 0.244 69 R C 1.628 177.936 176.300 0.012 0.000 1.142 69 R CA 1.871 57.929 56.100 -0.069 0.000 0.953 69 R CB -0.337 29.721 30.300 -0.403 0.000 0.860 69 R HN 0.130 nan 8.270 nan 0.000 0.438 70 N N 0.823 119.517 118.700 -0.011 0.000 2.188 70 N HA -0.100 4.639 4.740 -0.001 0.000 0.184 70 N C 1.971 177.570 175.510 0.148 0.000 1.018 70 N CA 1.132 54.249 53.050 0.112 0.000 0.858 70 N CB -0.270 38.258 38.487 0.068 0.000 0.989 70 N HN 0.279 nan 8.380 nan 0.000 0.426 71 L N 0.268 121.558 121.223 0.111 0.000 2.046 71 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 71 L C 2.256 179.232 176.870 0.177 0.000 1.077 71 L CA 0.613 55.528 54.840 0.125 0.000 0.747 71 L CB -0.382 41.733 42.059 0.093 0.000 0.896 71 L HN 0.147 nan 8.230 nan 0.000 0.432 72 L N -0.714 120.630 121.223 0.200 0.000 2.017 72 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 72 L C 2.748 179.830 176.870 0.353 0.000 1.073 72 L CA 2.102 57.108 54.840 0.277 0.000 0.745 72 L CB -0.543 41.664 42.059 0.247 0.000 0.894 72 L HN 0.179 nan 8.230 nan 0.000 0.432 73 S N -1.422 114.483 115.700 0.342 0.000 2.355 73 S HA -0.150 4.319 4.470 -0.001 0.000 0.222 73 S C 1.981 176.750 174.600 0.282 0.000 1.031 73 S CA 1.469 59.883 58.200 0.357 0.000 0.993 73 S CB -0.472 62.967 63.200 0.399 0.000 0.859 73 S HN 0.310 nan 8.310 nan 0.000 0.453 74 V N 2.415 122.454 119.914 0.209 0.000 2.287 74 V HA -0.185 3.934 4.120 -0.001 0.000 0.248 74 V C 2.918 179.063 176.094 0.084 0.000 1.053 74 V CA 1.896 64.270 62.300 0.123 0.000 1.027 74 V CB -1.520 30.371 31.823 0.114 0.000 0.646 74 V HN 0.637 nan 8.190 nan 0.000 0.447 75 A N -0.907 121.995 122.820 0.137 0.000 1.851 75 A HA -0.269 4.051 4.320 -0.001 0.000 0.216 75 A C 2.083 179.633 177.584 -0.058 0.000 1.195 75 A CA 2.305 54.384 52.037 0.070 0.000 0.622 75 A CB -0.965 18.069 19.000 0.056 0.000 0.831 75 A HN 0.558 nan 8.150 nan 0.000 0.444 76 Y N -0.268 120.099 120.300 0.111 0.000 2.181 76 Y HA -0.194 4.355 4.550 -0.002 0.000 0.288 76 Y C 2.486 178.509 175.900 0.205 0.000 1.146 76 Y CA 2.016 60.194 58.100 0.129 0.000 1.164 76 Y CB -0.253 38.224 38.460 0.028 0.000 0.982 76 Y HN 0.341 nan 8.280 nan 0.000 0.515 77 K N 0.526 121.117 120.400 0.320 0.000 2.032 77 K HA -0.186 4.133 4.320 -0.001 0.000 0.209 77 K C 1.740 178.316 176.600 -0.039 0.000 1.048 77 K CA 1.900 58.285 56.287 0.164 0.000 0.927 77 K CB -0.229 32.343 32.500 0.119 0.000 0.712 77 K HN 0.253 nan 8.250 nan 0.000 0.441 78 N N -0.149 118.450 118.700 -0.169 0.000 2.171 78 N HA -0.100 4.639 4.740 -0.001 0.000 0.184 78 N C 1.736 177.123 175.510 -0.204 0.000 1.021 78 N CA 1.093 53.920 53.050 -0.371 0.000 0.854 78 N CB -0.191 37.658 38.487 -1.062 0.000 0.994 78 N HN 0.294 nan 8.380 nan 0.000 0.426 79 A N 1.147 123.904 122.820 -0.106 0.000 1.884 79 A HA -0.146 4.174 4.320 -0.001 0.000 0.219 79 A C 2.483 180.061 177.584 -0.010 0.000 1.197 79 A CA 1.615 53.632 52.037 -0.033 0.000 0.637 79 A CB -1.006 17.941 19.000 -0.089 0.000 0.827 79 A HN 0.149 nan 8.150 nan 0.000 0.450 80 V N -0.434 119.494 119.914 0.024 0.000 2.591 80 V HA -0.052 4.067 4.120 -0.001 0.000 0.249 80 V C 2.616 178.651 176.094 -0.099 0.000 1.053 80 V CA 1.805 64.109 62.300 0.008 0.000 1.068 80 V CB -0.776 31.112 31.823 0.108 0.000 0.689 80 V HN 0.641 nan 8.190 nan 0.000 0.462 81 G N -0.044 108.679 108.800 -0.129 0.000 2.440 81 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.218 81 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.218 81 G C 1.851 176.701 174.900 -0.083 0.000 1.154 81 G CA 1.431 46.444 45.100 -0.145 0.000 0.767 81 G HN 0.663 nan 8.290 nan 0.000 0.552 82 S N 0.758 116.425 115.700 -0.056 0.000 2.387 82 S HA -0.027 4.442 4.470 -0.001 0.000 0.226 82 S C 2.312 176.908 174.600 -0.006 0.000 1.026 82 S CA 0.853 59.042 58.200 -0.017 0.000 0.972 82 S CB -0.148 63.057 63.200 0.009 0.000 0.814 82 S HN 0.295 nan 8.310 nan 0.000 0.477 83 R N 1.911 122.401 120.500 -0.018 0.000 2.092 83 R HA 0.144 4.484 4.340 -0.001 0.000 0.231 83 R C 2.356 178.664 176.300 0.013 0.000 1.119 83 R CA 1.084 57.174 56.100 -0.016 0.000 0.970 83 R CB -0.900 29.376 30.300 -0.040 0.000 0.864 83 R HN 0.505 nan 8.270 nan 0.000 0.440 84 R N 0.479 120.968 120.500 -0.018 0.000 2.081 84 R HA -0.052 4.287 4.340 -0.001 0.000 0.235 84 R C 2.481 178.848 176.300 0.113 0.000 1.131 84 R CA 1.649 57.758 56.100 0.016 0.000 0.960 84 R CB -0.371 29.876 30.300 -0.088 0.000 0.856 84 R HN 0.223 nan 8.270 nan 0.000 0.436 85 S N 0.065 115.798 115.700 0.056 0.000 2.382 85 S HA -0.119 4.350 4.470 -0.001 0.000 0.228 85 S C 1.921 176.575 174.600 0.091 0.000 1.027 85 S CA 1.675 59.917 58.200 0.070 0.000 0.991 85 S CB -0.068 63.152 63.200 0.033 0.000 0.823 85 S HN 0.240 nan 8.310 nan 0.000 0.469 86 S N 0.148 115.894 115.700 0.078 0.000 2.355 86 S HA -0.099 4.370 4.470 -0.001 0.000 0.222 86 S C 1.185 175.830 174.600 0.076 0.000 1.031 86 S CA 1.230 59.465 58.200 0.059 0.000 0.993 86 S CB -0.723 62.486 63.200 0.016 0.000 0.859 86 S HN 0.803 nan 8.310 nan 0.000 0.453 87 W N 2.799 124.057 121.300 -0.070 0.000 2.305 87 W HA -0.205 4.455 4.660 -0.001 0.000 0.308 87 W C 2.363 178.876 176.519 -0.009 0.000 1.226 87 W CA 1.636 58.942 57.345 -0.064 0.000 1.253 87 W CB -0.198 29.216 29.460 -0.076 0.000 1.146 87 W HN 0.153 nan 8.180 nan 0.000 0.507 88 R N -0.497 120.152 120.500 0.249 0.000 2.066 88 R HA -0.139 4.200 4.340 -0.001 0.000 0.232 88 R C 2.217 178.493 176.300 -0.039 0.000 1.131 88 R CA 1.906 58.084 56.100 0.129 0.000 0.955 88 R CB -0.837 29.592 30.300 0.216 0.000 0.851 88 R HN 0.292 nan 8.270 nan 0.000 0.432 89 I N 0.667 121.235 120.570 -0.004 0.000 2.179 89 I HA -0.301 3.868 4.170 -0.001 0.000 0.242 89 I C 2.204 178.287 176.117 -0.058 0.000 1.088 89 I CA 1.430 62.721 61.300 -0.015 0.000 1.357 89 I CB -0.172 37.840 38.000 0.019 0.000 1.051 89 I HN 0.117 nan 8.210 nan 0.000 0.409 90 I N -0.076 120.440 120.570 -0.089 0.000 2.179 90 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 90 I C 2.562 178.553 176.117 -0.209 0.000 1.088 90 I CA 1.323 62.563 61.300 -0.100 0.000 1.357 90 I CB -0.395 37.552 38.000 -0.087 0.000 1.051 90 I HN 0.118 nan 8.210 nan 0.000 0.409 91 S N 0.089 115.540 115.700 -0.415 0.000 2.400 91 S HA -0.225 4.245 4.470 -0.001 0.000 0.232 91 S C 2.161 176.625 174.600 -0.226 0.000 1.025 91 S CA 1.712 59.644 58.200 -0.447 0.000 0.993 91 S CB -0.424 62.311 63.200 -0.775 0.000 0.808 91 S HN 0.575 nan 8.310 nan 0.000 0.478 92 S N 1.250 116.856 115.700 -0.157 0.000 2.368 92 S HA -0.080 4.389 4.470 -0.001 0.000 0.224 92 S C 1.911 176.481 174.600 -0.051 0.000 1.029 92 S CA 1.309 59.463 58.200 -0.075 0.000 0.988 92 S CB -0.442 62.735 63.200 -0.038 0.000 0.838 92 S HN 0.303 nan 8.310 nan 0.000 0.462 93 V N 1.988 121.872 119.914 -0.049 0.000 2.343 93 V HA -0.126 3.994 4.120 -0.001 0.000 0.247 93 V C 2.656 178.736 176.094 -0.023 0.000 1.051 93 V CA 2.170 64.454 62.300 -0.027 0.000 1.036 93 V CB -0.936 30.876 31.823 -0.018 0.000 0.654 93 V HN 0.607 nan 8.190 nan 0.000 0.451 94 E N -0.021 120.152 120.200 -0.046 0.000 2.097 94 E HA -0.319 4.030 4.350 -0.001 0.000 0.196 94 E C 2.274 178.873 176.600 -0.002 0.000 1.000 94 E CA 1.949 58.328 56.400 -0.034 0.000 0.804 94 E CB -0.021 29.631 29.700 -0.082 0.000 0.740 94 E HN 0.722 nan 8.360 nan 0.000 0.454 95 Q N -0.400 119.390 119.800 -0.017 0.000 2.062 95 Q HA -0.108 4.231 4.340 -0.001 0.000 0.196 95 Q C 2.487 178.520 176.000 0.055 0.000 0.967 95 Q CA 1.874 57.691 55.803 0.023 0.000 0.832 95 Q CB -0.203 28.531 28.738 -0.008 0.000 0.899 95 Q HN 0.189 nan 8.270 nan 0.000 0.442 96 K N 1.479 121.894 120.400 0.024 0.000 2.044 96 K HA -0.243 4.076 4.320 -0.001 0.000 0.210 96 K C 1.783 178.398 176.600 0.025 0.000 1.049 96 K CA 1.800 58.100 56.287 0.022 0.000 0.927 96 K CB -0.870 31.634 32.500 0.008 0.000 0.713 96 K HN 0.200 nan 8.250 nan 0.000 0.443 97 E N -0.264 119.952 120.200 0.028 0.000 2.012 97 E HA -0.212 4.137 4.350 -0.001 0.000 0.197 97 E C 2.080 178.708 176.600 0.046 0.000 1.007 97 E CA 1.823 58.239 56.400 0.028 0.000 0.816 97 E CB -0.829 28.887 29.700 0.026 0.000 0.762 97 E HN 0.861 nan 8.360 nan 0.000 0.451 98 H N 0.625 119.687 119.070 -0.013 0.000 2.321 98 H HA -0.150 4.405 4.556 -0.001 0.000 0.295 98 H C 2.183 177.508 175.328 -0.006 0.000 1.102 98 H CA 2.790 58.833 56.048 -0.008 0.000 1.266 98 H CB -0.389 29.368 29.762 -0.008 0.000 1.363 98 H HN 0.255 nan 8.280 nan 0.000 0.492 99 S N -0.333 115.394 115.700 0.045 0.000 2.500 99 S HA -0.027 4.442 4.470 -0.001 0.000 0.239 99 S C 2.148 176.721 174.600 -0.045 0.000 0.989 99 S CA 1.341 59.536 58.200 -0.008 0.000 0.951 99 S CB -0.629 62.592 63.200 0.035 0.000 0.759 99 S HN 0.691 nan 8.310 nan 0.000 0.523 100 R N 0.426 120.899 120.500 -0.044 0.000 2.432 100 R HA 0.375 4.714 4.340 -0.001 0.000 0.260 100 R C 0.740 177.005 176.300 -0.058 0.000 0.935 100 R CA 0.443 56.519 56.100 -0.040 0.000 1.080 100 R CB -1.209 29.079 30.300 -0.020 0.000 1.155 100 R HN 0.428 nan 8.270 nan 0.000 0.531 101 N N -1.288 117.352 118.700 -0.101 0.000 2.708 101 N HA -0.170 4.569 4.740 -0.001 0.000 0.251 101 N C -0.047 175.426 175.510 -0.061 0.000 1.123 101 N CA 1.081 54.067 53.050 -0.107 0.000 0.739 101 N CB -1.388 37.047 38.487 -0.086 0.000 1.113 101 N HN 0.806 nan 8.380 nan 0.000 0.561 102 A N -0.554 122.241 122.820 -0.042 0.000 3.015 102 A HA 0.581 4.900 4.320 -0.001 0.000 0.293 102 A C 1.379 178.960 177.584 -0.005 0.000 1.572 102 A CA 0.549 52.574 52.037 -0.020 0.000 1.274 102 A CB -0.372 18.620 19.000 -0.013 0.000 1.156 102 A HN 0.452 nan 8.150 nan 0.000 0.562 103 E N 1.236 121.433 120.200 -0.005 0.000 2.106 103 E HA -0.200 4.149 4.350 -0.001 0.000 0.192 103 E C 1.172 177.786 176.600 0.022 0.000 0.984 103 E CA 1.723 58.133 56.400 0.017 0.000 0.806 103 E CB -0.621 29.087 29.700 0.012 0.000 0.750 103 E HN 0.758 nan 8.360 nan 0.000 0.458 104 D N 0.519 120.925 120.400 0.009 0.000 2.087 104 D HA -0.054 4.585 4.640 -0.001 0.000 0.192 104 D C 2.244 178.548 176.300 0.007 0.000 0.993 104 D CA 2.051 56.055 54.000 0.007 0.000 0.828 104 D CB -0.560 40.240 40.800 0.000 0.000 0.968 104 D HN 0.496 nan 8.370 nan 0.000 0.448 105 A N 0.364 123.186 122.820 0.002 0.000 1.865 105 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 105 A C 2.351 179.939 177.584 0.007 0.000 1.191 105 A CA 2.195 54.231 52.037 -0.002 0.000 0.623 105 A CB -1.047 17.950 19.000 -0.006 0.000 0.826 105 A HN 0.175 nan 8.150 nan 0.000 0.444 106 S N -0.640 115.073 115.700 0.021 0.000 2.372 106 S HA -0.235 4.234 4.470 -0.001 0.000 0.227 106 S C 2.424 177.041 174.600 0.028 0.000 1.044 106 S CA 2.633 60.854 58.200 0.034 0.000 1.050 106 S CB -0.461 62.784 63.200 0.075 0.000 0.901 106 S HN 0.857 nan 8.310 nan 0.000 0.447 107 K N 0.947 121.365 120.400 0.030 0.000 2.097 107 K HA 0.033 4.352 4.320 -0.001 0.000 0.206 107 K C 1.961 178.578 176.600 0.028 0.000 1.049 107 K CA 1.773 58.078 56.287 0.030 0.000 0.933 107 K CB -0.893 31.625 32.500 0.029 0.000 0.717 107 K HN 0.520 nan 8.250 nan 0.000 0.442 108 M N -0.068 119.543 119.600 0.020 0.000 2.067 108 M HA -0.152 4.327 4.480 -0.001 0.000 0.260 108 M C 2.654 178.978 176.300 0.039 0.000 1.069 108 M CA 1.586 56.897 55.300 0.017 0.000 1.117 108 M CB -0.723 31.869 32.600 -0.012 0.000 1.334 108 M HN 0.485 nan 8.290 nan 0.000 0.407 109 C N 0.697 120.013 119.300 0.027 0.000 2.385 109 C HA -0.173 4.286 4.460 -0.001 0.000 0.275 109 C C 2.935 177.960 174.990 0.058 0.000 1.207 109 C CA 1.256 60.303 59.018 0.049 0.000 1.760 109 C CB -1.855 25.891 27.740 0.010 0.000 2.051 109 C HN 0.791 nan 8.230 nan 0.000 0.467 110 G N 0.439 109.255 108.800 0.027 0.000 2.491 110 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.218 110 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.218 110 G C 1.911 176.840 174.900 0.048 0.000 1.180 110 G CA 2.175 47.288 45.100 0.021 0.000 0.774 110 G HN 0.664 nan 8.290 nan 0.000 0.562 111 K N -0.319 120.122 120.400 0.068 0.000 2.097 111 K HA -0.074 4.245 4.320 -0.001 0.000 0.206 111 K C 2.275 178.952 176.600 0.130 0.000 1.049 111 K CA 1.590 57.928 56.287 0.084 0.000 0.933 111 K CB -1.017 31.528 32.500 0.075 0.000 0.717 111 K HN 0.441 nan 8.250 nan 0.000 0.442 112 Y N 1.052 121.343 120.300 -0.014 0.000 2.224 112 Y HA -0.105 4.444 4.550 -0.001 0.000 0.289 112 Y C 2.554 178.443 175.900 -0.019 0.000 1.146 112 Y CA 1.632 59.722 58.100 -0.016 0.000 1.182 112 Y CB -0.208 38.237 38.460 -0.025 0.000 0.983 112 Y HN 0.326 nan 8.280 nan 0.000 0.524 113 R N -0.648 119.839 120.500 -0.022 0.000 2.096 113 R HA -0.137 4.202 4.340 -0.001 0.000 0.235 113 R C 2.184 178.471 176.300 -0.022 0.000 1.127 113 R CA 1.659 57.695 56.100 -0.106 0.000 0.968 113 R CB -0.291 29.912 30.300 -0.163 0.000 0.861 113 R HN 0.255 nan 8.270 nan 0.000 0.440 114 S N 0.785 116.491 115.700 0.010 0.000 2.382 114 S HA -0.145 4.324 4.470 -0.001 0.000 0.228 114 S C 1.672 176.257 174.600 -0.025 0.000 1.027 114 S CA 1.466 59.682 58.200 0.027 0.000 0.991 114 S CB -0.160 63.068 63.200 0.047 0.000 0.823 114 S HN 0.395 nan 8.310 nan 0.000 0.469 115 K N 1.176 121.543 120.400 -0.054 0.000 2.063 115 K HA -0.088 4.232 4.320 -0.001 0.000 0.208 115 K C 1.786 178.311 176.600 -0.124 0.000 1.048 115 K CA 1.303 57.544 56.287 -0.077 0.000 0.928 115 K CB -0.159 32.293 32.500 -0.080 0.000 0.713 115 K HN 0.180 nan 8.250 nan 0.000 0.442 116 V N 1.413 121.220 119.914 -0.178 0.000 2.453 116 V HA -0.156 3.963 4.120 -0.001 0.000 0.247 116 V C 1.923 177.899 176.094 -0.196 0.000 1.048 116 V CA 1.705 63.905 62.300 -0.166 0.000 1.049 116 V CB -0.370 31.366 31.823 -0.146 0.000 0.672 116 V HN 0.367 nan 8.190 nan 0.000 0.457 117 E N 0.680 120.746 120.200 -0.223 0.000 2.077 117 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 117 E C 2.350 178.763 176.600 -0.312 0.000 0.989 117 E CA 1.374 57.451 56.400 -0.537 0.000 0.800 117 E CB -0.343 29.137 29.700 -0.367 0.000 0.746 117 E HN 0.592 nan 8.360 nan 0.000 0.452 118 A N 1.278 124.025 122.820 -0.121 0.000 1.978 118 A HA -0.255 4.064 4.320 -0.001 0.000 0.220 118 A C 1.905 179.469 177.584 -0.032 0.000 1.170 118 A CA 1.516 53.532 52.037 -0.035 0.000 0.636 118 A CB -0.361 18.634 19.000 -0.009 0.000 0.810 118 A HN 0.185 nan 8.150 nan 0.000 0.448 119 E N -0.608 119.552 120.200 -0.066 0.000 2.047 119 E HA -0.131 4.218 4.350 -0.001 0.000 0.191 119 E C 1.875 178.465 176.600 -0.017 0.000 0.987 119 E CA 0.830 57.208 56.400 -0.036 0.000 0.799 119 E CB -0.206 29.465 29.700 -0.048 0.000 0.752 119 E HN 0.378 nan 8.360 nan 0.000 0.449 120 L N 1.053 122.228 121.223 -0.080 0.000 1.990 120 L HA -0.226 4.113 4.340 -0.001 0.000 0.213 120 L C 2.447 179.403 176.870 0.142 0.000 1.072 120 L CA 1.932 56.764 54.840 -0.013 0.000 0.755 120 L CB -1.646 40.278 42.059 -0.225 0.000 0.889 120 L HN 0.193 nan 8.230 nan 0.000 0.432 121 T N -0.473 114.177 114.554 0.160 0.000 2.635 121 T HA -0.213 4.136 4.350 -0.001 0.000 0.267 121 T C 1.525 176.309 174.700 0.140 0.000 1.040 121 T CA 1.697 63.936 62.100 0.232 0.000 1.156 121 T CB -0.263 68.736 68.868 0.217 0.000 0.863 121 T HN 0.303 nan 8.240 nan 0.000 0.430 122 D N 0.631 121.087 120.400 0.094 0.000 2.144 122 D HA -0.015 4.625 4.640 -0.001 0.000 0.199 122 D C 2.058 178.412 176.300 0.091 0.000 0.984 122 D CA 0.781 54.826 54.000 0.075 0.000 0.834 122 D CB -0.332 40.499 40.800 0.052 0.000 0.955 122 D HN 0.394 nan 8.370 nan 0.000 0.465 123 I N 0.176 120.818 120.570 0.119 0.000 2.233 123 I HA -0.230 3.939 4.170 -0.001 0.000 0.243 123 I C 2.390 178.611 176.117 0.173 0.000 1.093 123 I CA 0.521 61.925 61.300 0.174 0.000 1.380 123 I CB -0.138 37.972 38.000 0.183 0.000 1.067 123 I HN 0.052 nan 8.210 nan 0.000 0.413 124 C N 0.834 120.254 119.300 0.200 0.000 2.429 124 C HA -0.129 4.330 4.460 -0.001 0.000 0.277 124 C C 2.608 177.601 174.990 0.006 0.000 1.262 124 C CA 0.837 59.968 59.018 0.188 0.000 1.733 124 C CB -1.413 26.505 27.740 0.296 0.000 2.010 124 C HN 0.543 nan 8.230 nan 0.000 0.483 125 N N 0.854 119.573 118.700 0.032 0.000 2.216 125 N HA -0.100 4.639 4.740 -0.001 0.000 0.183 125 N C 1.426 176.903 175.510 -0.056 0.000 1.017 125 N CA 1.170 54.214 53.050 -0.010 0.000 0.861 125 N CB -0.637 37.868 38.487 0.029 0.000 0.986 125 N HN 0.518 nan 8.380 nan 0.000 0.428 126 D N 0.932 121.311 120.400 -0.035 0.000 2.103 126 D HA -0.151 4.488 4.640 -0.001 0.000 0.190 126 D C 1.839 178.010 176.300 -0.215 0.000 0.997 126 D CA 0.748 54.715 54.000 -0.055 0.000 0.833 126 D CB -0.217 40.618 40.800 0.059 0.000 0.961 126 D HN 0.176 nan 8.370 nan 0.000 0.447 127 I N 0.112 120.423 120.570 -0.432 0.000 2.439 127 I HA -0.084 4.085 4.170 -0.001 0.000 0.251 127 I C 2.131 177.968 176.117 -0.468 0.000 1.139 127 I CA 0.804 61.663 61.300 -0.735 0.000 1.438 127 I CB -0.178 37.020 38.000 -1.336 0.000 1.085 127 I HN 0.068 nan 8.210 nan 0.000 0.427 128 L N -0.481 120.537 121.223 -0.342 0.000 2.156 128 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 128 L C 2.327 179.093 176.870 -0.173 0.000 1.095 128 L CA 1.422 56.105 54.840 -0.261 0.000 0.770 128 L CB -1.010 40.896 42.059 -0.256 0.000 0.914 128 L HN 0.176 nan 8.230 nan 0.000 0.439 129 T N -0.325 114.146 114.554 -0.138 0.000 2.737 129 T HA -0.191 4.159 4.350 -0.001 0.000 0.265 129 T C 1.949 176.601 174.700 -0.080 0.000 1.038 129 T CA 1.401 63.448 62.100 -0.089 0.000 1.144 129 T CB -0.170 68.664 68.868 -0.057 0.000 0.866 129 T HN 0.198 nan 8.240 nan 0.000 0.434 130 M N 0.370 119.920 119.600 -0.083 0.000 2.149 130 M HA -0.049 4.430 4.480 -0.001 0.000 0.261 130 M C 2.126 178.371 176.300 -0.092 0.000 1.064 130 M CA 1.527 56.815 55.300 -0.021 0.000 1.102 130 M CB -0.541 31.987 32.600 -0.120 0.000 1.369 130 M HN 0.191 nan 8.290 nan 0.000 0.408 131 L N -0.398 120.725 121.223 -0.167 0.000 2.027 131 L HA -0.233 4.107 4.340 -0.001 0.000 0.206 131 L C 2.055 178.828 176.870 -0.161 0.000 1.074 131 L CA 1.108 55.837 54.840 -0.185 0.000 0.745 131 L CB -0.671 41.290 42.059 -0.163 0.000 0.898 131 L HN 0.236 nan 8.230 nan 0.000 0.433 132 D N 0.195 120.519 120.400 -0.125 0.000 2.097 132 D HA -0.155 4.484 4.640 -0.001 0.000 0.197 132 D C 2.388 178.610 176.300 -0.129 0.000 0.984 132 D CA 1.899 55.839 54.000 -0.099 0.000 0.826 132 D CB 0.021 40.781 40.800 -0.067 0.000 0.973 132 D HN 0.281 nan 8.370 nan 0.000 0.460 133 K N -0.116 120.182 120.400 -0.171 0.000 2.211 133 K HA 0.027 4.347 4.320 -0.001 0.000 0.201 133 K C 1.781 178.158 176.600 -0.371 0.000 1.052 133 K CA 0.967 57.086 56.287 -0.280 0.000 0.973 133 K CB -0.549 31.735 32.500 -0.361 0.000 0.766 133 K HN 0.345 nan 8.250 nan 0.000 0.466 134 H N -1.150 117.832 119.070 -0.146 0.000 2.373 134 H HA 0.372 4.927 4.556 -0.002 0.000 0.290 134 H C 2.021 177.205 175.328 -0.240 0.000 0.989 134 H CA 0.606 56.555 56.048 -0.164 0.000 1.250 134 H CB 0.593 30.263 29.762 -0.153 0.000 1.477 134 H HN 0.102 nan 8.280 nan 0.000 0.551 135 L N 0.053 121.144 121.223 -0.219 0.000 2.168 135 L HA 0.034 4.374 4.340 -0.001 0.000 0.203 135 L C 1.920 178.449 176.870 -0.569 0.000 1.078 135 L CA 0.707 55.217 54.840 -0.550 0.000 0.780 135 L CB -0.092 41.422 42.059 -0.909 0.000 0.939 135 L HN 0.243 nan 8.230 nan 0.000 0.451 136 I N 0.300 120.630 120.570 -0.400 0.000 2.252 136 I HA -0.167 4.002 4.170 -0.001 0.000 0.245 136 I C -0.255 175.724 176.117 -0.230 0.000 1.102 136 I CA 1.248 62.340 61.300 -0.346 0.000 1.385 136 I CB -1.202 36.591 38.000 -0.345 0.000 1.064 136 I HN 0.200 nan 8.210 nan 0.000 0.414 137 P HA -0.137 nan 4.420 nan 0.000 0.218 137 P C 1.339 178.590 177.300 -0.081 0.000 1.149 137 P CA 1.530 64.569 63.100 -0.102 0.000 0.817 137 P CB -0.185 31.459 31.700 -0.093 0.000 0.785 138 T N -4.564 109.931 114.554 -0.098 0.000 3.086 138 T HA 0.408 4.757 4.350 -0.001 0.000 0.250 138 T C 0.848 175.525 174.700 -0.039 0.000 1.074 138 T CA -0.302 61.762 62.100 -0.060 0.000 0.988 138 T CB -0.507 68.329 68.868 -0.053 0.000 0.988 138 T HN 0.009 nan 8.240 nan 0.000 0.530 139 A N 1.656 124.450 122.820 -0.044 0.000 2.484 139 A HA 0.493 4.813 4.320 -0.001 0.000 0.268 139 A C 1.304 178.902 177.584 0.025 0.000 1.114 139 A CA -0.217 51.838 52.037 0.030 0.000 0.780 139 A CB 0.013 19.062 19.000 0.082 0.000 1.061 139 A HN 0.419 nan 8.150 nan 0.000 0.505 140 T N 1.879 116.452 114.554 0.032 0.000 2.914 140 T HA 0.026 4.375 4.350 -0.001 0.000 0.240 140 T C 1.188 175.907 174.700 0.033 0.000 1.025 140 T CA 0.867 62.983 62.100 0.027 0.000 1.198 140 T CB -0.668 68.212 68.868 0.020 0.000 0.892 140 T HN 0.857 nan 8.240 nan 0.000 0.417 141 S N 3.147 118.865 115.700 0.029 0.000 2.554 141 S HA 0.036 4.505 4.470 -0.001 0.000 0.290 141 S C -1.980 172.640 174.600 0.032 0.000 1.309 141 S CA -0.875 57.341 58.200 0.026 0.000 1.047 141 S CB 0.032 63.242 63.200 0.015 0.000 0.828 141 S HN 0.148 nan 8.310 nan 0.000 0.509 142 P HA -0.095 nan 4.420 nan 0.000 0.218 142 P C 1.191 178.496 177.300 0.009 0.000 1.149 142 P CA 0.847 63.967 63.100 0.033 0.000 0.817 142 P CB 0.042 31.755 31.700 0.021 0.000 0.785 143 D N -0.296 120.093 120.400 -0.019 0.000 2.092 143 D HA -0.134 4.505 4.640 -0.001 0.000 0.193 143 D C 1.784 178.070 176.300 -0.023 0.000 0.994 143 D CA 2.033 56.003 54.000 -0.050 0.000 0.828 143 D CB -0.168 40.620 40.800 -0.021 0.000 0.963 143 D HN 0.148 nan 8.370 nan 0.000 0.450 144 S N -0.207 115.474 115.700 -0.031 0.000 2.470 144 S HA 0.016 4.485 4.470 -0.001 0.000 0.225 144 S C 1.792 176.401 174.600 0.016 0.000 1.006 144 S CA 0.176 58.321 58.200 -0.091 0.000 0.934 144 S CB 0.036 63.205 63.200 -0.052 0.000 0.778 144 S HN 0.229 nan 8.310 nan 0.000 0.517 145 K N 1.308 121.744 120.400 0.059 0.000 2.025 145 K HA 0.018 4.337 4.320 -0.001 0.000 0.207 145 K C 2.040 178.707 176.600 0.112 0.000 1.049 145 K CA 1.334 57.649 56.287 0.046 0.000 0.933 145 K CB -0.594 31.966 32.500 0.100 0.000 0.714 145 K HN 0.214 nan 8.250 nan 0.000 0.438 146 V N 1.357 121.362 119.914 0.151 0.000 2.295 146 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 146 V C 2.018 178.186 176.094 0.124 0.000 1.049 146 V CA 1.724 64.128 62.300 0.174 0.000 1.024 146 V CB -0.556 31.316 31.823 0.082 0.000 0.648 146 V HN 0.204 nan 8.190 nan 0.000 0.447 147 F N 0.265 120.144 119.950 -0.119 0.000 2.065 147 F HA -0.276 4.251 4.527 -0.001 0.000 0.298 147 F C 2.268 177.953 175.800 -0.191 0.000 1.112 147 F CA 2.047 59.916 58.000 -0.218 0.000 1.212 147 F CB -0.414 38.314 39.000 -0.453 0.000 0.975 147 F HN 0.175 nan 8.300 nan 0.000 0.476 148 Y N -1.224 119.205 120.300 0.214 0.000 2.263 148 Y HA -0.107 4.443 4.550 -0.001 0.000 0.292 148 Y C 2.203 178.049 175.900 -0.089 0.000 1.130 148 Y CA 1.021 59.145 58.100 0.039 0.000 1.179 148 Y CB -1.204 37.218 38.460 -0.064 0.000 0.998 148 Y HN 0.026 nan 8.280 nan 0.000 0.532 149 F N 0.650 120.665 119.950 0.107 0.000 2.134 149 F HA -0.190 4.337 4.527 -0.001 0.000 0.299 149 F C 2.437 178.164 175.800 -0.122 0.000 1.097 149 F CA 1.525 59.510 58.000 -0.024 0.000 1.264 149 F CB -0.739 38.241 39.000 -0.033 0.000 1.001 149 F HN -0.034 nan 8.300 nan 0.000 0.479 150 K N 0.391 120.851 120.400 0.099 0.000 2.032 150 K HA -0.258 4.061 4.320 -0.001 0.000 0.209 150 K C 2.240 178.780 176.600 -0.100 0.000 1.048 150 K CA 1.783 58.079 56.287 0.015 0.000 0.927 150 K CB -0.372 32.122 32.500 -0.011 0.000 0.712 150 K HN 0.283 nan 8.250 nan 0.000 0.441 151 M N 1.030 120.558 119.600 -0.120 0.000 2.213 151 M HA -0.196 4.283 4.480 -0.001 0.000 0.263 151 M C 2.132 178.433 176.300 0.001 0.000 1.062 151 M CA 1.686 56.956 55.300 -0.050 0.000 1.105 151 M CB -0.047 32.549 32.600 -0.007 0.000 1.385 151 M HN 0.080 nan 8.290 nan 0.000 0.417 152 K N -0.441 119.917 120.400 -0.071 0.000 2.057 152 K HA -0.087 4.233 4.320 -0.001 0.000 0.206 152 K C 1.905 178.307 176.600 -0.331 0.000 1.050 152 K CA 1.560 57.754 56.287 -0.155 0.000 0.935 152 K CB -0.509 31.955 32.500 -0.060 0.000 0.715 152 K HN 0.481 nan 8.250 nan 0.000 0.439 153 G N 1.144 109.586 108.800 -0.596 0.000 2.440 153 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.218 153 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.218 153 G C 1.011 175.380 174.900 -0.884 0.000 1.154 153 G CA 1.126 45.501 45.100 -1.208 0.000 0.767 153 G HN 0.347 nan 8.290 nan 0.000 0.552 154 D N 0.024 120.054 120.400 -0.617 0.000 2.104 154 D HA -0.116 4.524 4.640 -0.001 0.000 0.194 154 D C 2.106 177.709 176.300 -1.161 0.000 0.994 154 D CA 0.981 54.534 54.000 -0.745 0.000 0.830 154 D CB -0.339 40.078 40.800 -0.638 0.000 0.959 154 D HN 0.460 nan 8.370 nan 0.000 0.452 155 Y N 0.185 120.141 120.300 -0.573 0.000 2.263 155 Y HA -0.083 4.467 4.550 -0.001 0.000 0.292 155 Y C 2.478 178.189 175.900 -0.315 0.000 1.130 155 Y CA 1.092 58.958 58.100 -0.390 0.000 1.179 155 Y CB -0.467 37.854 38.460 -0.233 0.000 0.998 155 Y HN 0.214 nan 8.280 nan 0.000 0.532 156 H N -0.905 118.056 119.070 -0.180 0.000 2.387 156 H HA -0.166 4.389 4.556 -0.001 0.000 0.299 156 H C 2.368 177.585 175.328 -0.186 0.000 1.090 156 H CA 1.502 57.441 56.048 -0.182 0.000 1.332 156 H CB -0.018 29.601 29.762 -0.238 0.000 1.386 156 H HN 0.154 nan 8.280 nan 0.000 0.516 157 R N 0.350 120.760 120.500 -0.151 0.000 2.083 157 R HA -0.208 4.131 4.340 -0.001 0.000 0.237 157 R C 1.510 177.802 176.300 -0.014 0.000 1.137 157 R CA 1.734 57.815 56.100 -0.031 0.000 0.951 157 R CB -0.291 30.015 30.300 0.010 0.000 0.851 157 R HN 0.302 nan 8.270 nan 0.000 0.434 158 Y N 0.838 121.105 120.300 -0.055 0.000 2.165 158 Y HA -0.201 4.348 4.550 -0.002 0.000 0.286 158 Y C 2.222 178.068 175.900 -0.090 0.000 1.155 158 Y CA 0.957 59.024 58.100 -0.054 0.000 1.164 158 Y CB -0.706 37.718 38.460 -0.061 0.000 0.978 158 Y HN 0.078 nan 8.280 nan 0.000 0.513 159 I N -0.686 119.881 120.570 -0.005 0.000 2.163 159 I HA -0.331 3.838 4.170 -0.001 0.000 0.243 159 I C 2.297 178.012 176.117 -0.671 0.000 1.085 159 I CA 1.708 62.763 61.300 -0.408 0.000 1.347 159 I CB -0.566 37.337 38.000 -0.162 0.000 1.044 159 I HN 0.071 nan 8.210 nan 0.000 0.408 160 S N 0.068 115.599 115.700 -0.282 0.000 2.419 160 S HA -0.203 4.267 4.470 -0.001 0.000 0.235 160 S C 1.800 176.256 174.600 -0.240 0.000 1.019 160 S CA 1.121 59.192 58.200 -0.214 0.000 0.982 160 S CB -0.324 62.861 63.200 -0.025 0.000 0.789 160 S HN 0.457 nan 8.310 nan 0.000 0.490 161 E N 0.239 120.303 120.200 -0.227 0.000 2.118 161 E HA -0.172 4.177 4.350 -0.001 0.000 0.195 161 E C 1.502 177.916 176.600 -0.310 0.000 0.992 161 E CA 1.515 57.804 56.400 -0.184 0.000 0.804 161 E CB -0.117 29.514 29.700 -0.115 0.000 0.741 161 E HN 0.872 nan 8.360 nan 0.000 0.458 162 F N -1.729 117.974 119.950 -0.411 0.000 2.724 162 F HA 0.411 4.937 4.527 -0.002 0.000 0.306 162 F C 0.714 176.493 175.800 -0.035 0.000 1.100 162 F CA -0.649 57.123 58.000 -0.380 0.000 1.255 162 F CB 0.176 38.726 39.000 -0.750 0.000 1.072 162 F HN -0.331 nan 8.300 nan 0.000 0.589 163 S N 1.258 116.710 115.700 -0.413 0.000 2.593 163 S HA 0.482 4.951 4.470 -0.001 0.000 0.269 163 S C 0.395 174.972 174.600 -0.038 0.000 1.334 163 S CA 0.168 58.255 58.200 -0.188 0.000 1.015 163 S CB 0.923 63.952 63.200 -0.284 0.000 0.912 163 S HN 0.546 nan 8.310 nan 0.000 0.541 164 T N -1.709 112.850 114.554 0.008 0.000 2.864 164 T HA 0.772 5.121 4.350 -0.001 0.000 0.289 164 T C 0.816 175.517 174.700 0.002 0.000 1.082 164 T CA -0.273 61.839 62.100 0.019 0.000 1.009 164 T CB 0.938 69.838 68.868 0.054 0.000 1.234 164 T HN 0.996 nan 8.240 nan 0.000 0.526 165 G N 1.370 110.170 108.800 0.000 0.000 2.698 165 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.337 165 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.337 165 G C 0.600 175.492 174.900 -0.015 0.000 1.286 165 G CA 1.123 46.219 45.100 -0.005 0.000 1.000 165 G HN 0.828 nan 8.290 nan 0.000 0.547 166 D N 0.146 120.539 120.400 -0.011 0.000 2.117 166 D HA 0.016 4.655 4.640 -0.001 0.000 0.198 166 D C 2.909 179.195 176.300 -0.024 0.000 0.982 166 D CA 1.584 55.575 54.000 -0.016 0.000 0.828 166 D CB -0.560 40.234 40.800 -0.010 0.000 0.967 166 D HN 0.293 nan 8.370 nan 0.000 0.464 167 S N 0.295 115.982 115.700 -0.023 0.000 2.359 167 S HA -0.178 4.291 4.470 -0.001 0.000 0.224 167 S C 1.800 176.362 174.600 -0.063 0.000 1.035 167 S CA 1.068 59.246 58.200 -0.037 0.000 1.018 167 S CB -0.060 63.123 63.200 -0.028 0.000 0.876 167 S HN 0.261 nan 8.310 nan 0.000 0.448 168 K N 1.036 121.397 120.400 -0.065 0.000 2.032 168 K HA -0.206 4.113 4.320 -0.001 0.000 0.209 168 K C 2.724 179.290 176.600 -0.057 0.000 1.048 168 K CA 1.692 57.933 56.287 -0.078 0.000 0.927 168 K CB -0.514 31.947 32.500 -0.065 0.000 0.712 168 K HN 0.420 nan 8.250 nan 0.000 0.441 169 Q N 0.550 120.323 119.800 -0.045 0.000 2.030 169 Q HA -0.202 4.137 4.340 -0.001 0.000 0.204 169 Q C 2.053 178.027 176.000 -0.044 0.000 0.986 169 Q CA 2.543 58.324 55.803 -0.038 0.000 0.843 169 Q CB -1.355 27.364 28.738 -0.032 0.000 0.904 169 Q HN 0.611 nan 8.270 nan 0.000 0.420 170 S N 0.454 116.121 115.700 -0.054 0.000 2.382 170 S HA -0.184 4.285 4.470 -0.001 0.000 0.228 170 S C 2.337 176.867 174.600 -0.117 0.000 1.027 170 S CA 2.236 60.392 58.200 -0.074 0.000 0.991 170 S CB -0.503 62.660 63.200 -0.061 0.000 0.823 170 S HN 1.053 nan 8.310 nan 0.000 0.469 171 S N 1.315 116.951 115.700 -0.106 0.000 2.436 171 S HA 0.292 4.762 4.470 -0.001 0.000 0.228 171 S C 2.102 176.635 174.600 -0.111 0.000 1.014 171 S CA 0.699 58.815 58.200 -0.141 0.000 0.950 171 S CB -0.779 62.377 63.200 -0.074 0.000 0.784 171 S HN 0.758 nan 8.310 nan 0.000 0.504 172 A N 1.869 124.681 122.820 -0.013 0.000 1.972 172 A HA -0.041 4.278 4.320 -0.001 0.000 0.219 172 A C 2.130 179.776 177.584 0.103 0.000 1.169 172 A CA 1.382 53.505 52.037 0.144 0.000 0.635 172 A CB -0.544 18.517 19.000 0.101 0.000 0.810 172 A HN 0.661 nan 8.150 nan 0.000 0.446 173 E N -0.306 119.875 120.200 -0.032 0.000 2.112 173 E HA -0.133 4.216 4.350 -0.001 0.000 0.190 173 E C 1.238 177.732 176.600 -0.177 0.000 0.979 173 E CA 0.915 57.276 56.400 -0.064 0.000 0.814 173 E CB -0.131 29.527 29.700 -0.069 0.000 0.762 173 E HN 0.490 nan 8.360 nan 0.000 0.460 174 D N 0.668 120.872 120.400 -0.326 0.000 2.144 174 D HA -0.108 4.531 4.640 -0.001 0.000 0.200 174 D C 1.828 177.823 176.300 -0.509 0.000 0.978 174 D CA 1.133 54.805 54.000 -0.547 0.000 0.833 174 D CB -0.131 39.993 40.800 -1.126 0.000 0.961 174 D HN 0.142 nan 8.370 nan 0.000 0.470 175 A N 0.762 123.306 122.820 -0.460 0.000 1.873 175 A HA -0.104 4.215 4.320 -0.001 0.000 0.215 175 A C 2.140 179.288 177.584 -0.727 0.000 1.186 175 A CA 0.863 52.533 52.037 -0.612 0.000 0.616 175 A CB -0.757 17.839 19.000 -0.674 0.000 0.823 175 A HN 0.238 nan 8.150 nan 0.000 0.442 176 L N 0.319 121.292 121.223 -0.416 0.000 2.043 176 L HA -0.201 4.138 4.340 -0.001 0.000 0.212 176 L C 2.305 179.054 176.870 -0.202 0.000 1.075 176 L CA 2.820 57.565 54.840 -0.158 0.000 0.752 176 L CB -0.547 41.597 42.059 0.141 0.000 0.891 176 L HN 0.495 nan 8.230 nan 0.000 0.432 177 K N -0.852 119.422 120.400 -0.210 0.000 2.097 177 K HA -0.121 4.198 4.320 -0.001 0.000 0.205 177 K C 1.969 178.398 176.600 -0.286 0.000 1.050 177 K CA 1.204 57.374 56.287 -0.195 0.000 0.938 177 K CB -0.225 32.181 32.500 -0.157 0.000 0.718 177 K HN 0.439 nan 8.250 nan 0.000 0.442 178 A N 0.402 123.020 122.820 -0.337 0.000 1.902 178 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 178 A C 1.874 179.204 177.584 -0.422 0.000 1.181 178 A CA 1.225 53.060 52.037 -0.336 0.000 0.623 178 A CB -0.827 18.000 19.000 -0.290 0.000 0.818 178 A HN 0.407 nan 8.150 nan 0.000 0.443 179 Y N 0.245 120.190 120.300 -0.592 0.000 2.224 179 Y HA -0.126 4.423 4.550 -0.001 0.000 0.289 179 Y C 2.369 177.811 175.900 -0.763 0.000 1.146 179 Y CA 1.410 58.967 58.100 -0.905 0.000 1.182 179 Y CB -0.421 36.964 38.460 -1.791 0.000 0.983 179 Y HN 0.277 nan 8.280 nan 0.000 0.524 180 K N -0.073 120.099 120.400 -0.380 0.000 2.026 180 K HA -0.176 4.143 4.320 -0.001 0.000 0.208 180 K C 1.637 178.114 176.600 -0.205 0.000 1.048 180 K CA 1.648 57.860 56.287 -0.125 0.000 0.929 180 K CB -0.204 32.271 32.500 -0.042 0.000 0.713 180 K HN 0.216 nan 8.250 nan 0.000 0.439 181 D N 0.545 120.706 120.400 -0.399 0.000 2.123 181 D HA -0.152 4.487 4.640 -0.001 0.000 0.196 181 D C 1.786 177.727 176.300 -0.598 0.000 0.992 181 D CA 1.365 54.962 54.000 -0.673 0.000 0.833 181 D CB -0.208 39.810 40.800 -1.302 0.000 0.954 181 D HN 0.225 nan 8.370 nan 0.000 0.455 182 A N 0.281 122.865 122.820 -0.393 0.000 1.930 182 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 182 A C 2.348 179.936 177.584 0.008 0.000 1.175 182 A CA 1.958 53.980 52.037 -0.025 0.000 0.627 182 A CB -0.821 18.234 19.000 0.091 0.000 0.815 182 A HN 0.216 nan 8.150 nan 0.000 0.443 183 T N -0.282 114.267 114.554 -0.008 0.000 2.746 183 T HA -0.125 4.225 4.350 -0.001 0.000 0.267 183 T C 1.878 176.604 174.700 0.045 0.000 1.039 183 T CA 1.521 63.666 62.100 0.076 0.000 1.142 183 T CB -0.480 68.498 68.868 0.183 0.000 0.866 183 T HN 0.146 nan 8.240 nan 0.000 0.444 184 V N 1.254 121.166 119.914 -0.004 0.000 2.255 184 V HA -0.175 3.944 4.120 -0.001 0.000 0.247 184 V C 2.680 178.785 176.094 0.019 0.000 1.051 184 V CA 1.552 63.850 62.300 -0.003 0.000 1.018 184 V CB -0.695 31.103 31.823 -0.042 0.000 0.641 184 V HN 0.320 nan 8.190 nan 0.000 0.445 185 V N 0.143 120.075 119.914 0.029 0.000 2.358 185 V HA -0.217 3.902 4.120 -0.001 0.000 0.246 185 V C 2.658 178.784 176.094 0.053 0.000 1.047 185 V CA 1.758 64.099 62.300 0.068 0.000 1.035 185 V CB -1.131 30.778 31.823 0.143 0.000 0.658 185 V HN 0.573 nan 8.190 nan 0.000 0.452 186 A N 0.275 123.127 122.820 0.052 0.000 2.084 186 A HA -0.236 4.083 4.320 -0.001 0.000 0.221 186 A C 2.356 179.962 177.584 0.036 0.000 1.161 186 A CA 2.233 54.292 52.037 0.037 0.000 0.653 186 A CB -0.687 18.346 19.000 0.054 0.000 0.802 186 A HN 0.585 nan 8.150 nan 0.000 0.457 187 K N -0.255 120.169 120.400 0.041 0.000 2.442 187 K HA -0.115 4.204 4.320 -0.001 0.000 0.198 187 K C 1.111 177.732 176.600 0.034 0.000 1.044 187 K CA 1.622 57.932 56.287 0.039 0.000 0.948 187 K CB -0.596 31.926 32.500 0.036 0.000 0.762 187 K HN 0.601 nan 8.250 nan 0.000 0.472 188 D N -0.529 119.890 120.400 0.031 0.000 2.349 188 D HA 0.182 4.822 4.640 -0.001 0.000 0.214 188 D C 0.127 176.445 176.300 0.030 0.000 1.063 188 D CA 0.029 54.047 54.000 0.030 0.000 0.847 188 D CB 0.202 41.020 40.800 0.029 0.000 0.933 188 D HN 0.429 nan 8.370 nan 0.000 0.513 189 L N 0.934 122.171 121.223 0.023 0.000 2.344 189 L HA 0.440 4.779 4.340 -0.001 0.000 0.272 189 L C 1.007 177.929 176.870 0.087 0.000 1.035 189 L CA -0.956 53.908 54.840 0.040 0.000 0.807 189 L CB 0.646 42.664 42.059 -0.069 0.000 1.237 189 L HN -0.120 nan 8.230 nan 0.000 0.442 190 E N 1.912 122.193 120.200 0.134 0.000 2.415 190 E HA 0.089 4.439 4.350 -0.001 0.000 0.262 190 E C -2.109 174.555 176.600 0.106 0.000 1.038 190 E CA -1.299 55.162 56.400 0.103 0.000 0.921 190 E CB -0.458 29.294 29.700 0.088 0.000 0.950 190 E HN 0.534 nan 8.360 nan 0.000 0.438 191 P HA -0.146 nan 4.420 nan 0.000 0.219 191 P C 1.398 178.735 177.300 0.061 0.000 1.146 191 P CA 2.023 65.157 63.100 0.057 0.000 0.808 191 P CB 0.237 31.953 31.700 0.027 0.000 0.779 192 T N -5.762 108.826 114.554 0.056 0.000 3.113 192 T HA -0.069 4.281 4.350 -0.001 0.000 0.256 192 T C 0.910 175.656 174.700 0.076 0.000 1.131 192 T CA 0.017 62.145 62.100 0.047 0.000 1.074 192 T CB -0.968 67.910 68.868 0.018 0.000 0.944 192 T HN 0.125 nan 8.240 nan 0.000 0.516 193 H N 3.125 122.215 119.070 0.034 0.000 3.004 193 H HA 0.122 4.677 4.556 -0.002 0.000 0.316 193 H C -1.785 173.570 175.328 0.046 0.000 1.014 193 H CA -1.788 54.285 56.048 0.041 0.000 1.454 193 H CB 1.499 31.288 29.762 0.045 0.000 1.472 193 H HN 0.020 nan 8.280 nan 0.000 0.571 194 P HA -0.142 nan 4.420 nan 0.000 0.216 194 P C 1.571 179.021 177.300 0.250 0.000 1.150 194 P CA 1.204 64.411 63.100 0.178 0.000 0.837 194 P CB 0.250 32.005 31.700 0.092 0.000 0.786 195 I N -1.055 119.768 120.570 0.422 0.000 2.252 195 I HA -0.188 3.981 4.170 -0.001 0.000 0.245 195 I C 2.696 178.874 176.117 0.103 0.000 1.102 195 I CA 1.210 62.621 61.300 0.185 0.000 1.385 195 I CB -0.337 37.728 38.000 0.108 0.000 1.064 195 I HN -0.179 nan 8.210 nan 0.000 0.414 196 R N 1.050 121.611 120.500 0.102 0.000 2.092 196 R HA -0.131 4.208 4.340 -0.001 0.000 0.231 196 R C 2.264 178.626 176.300 0.103 0.000 1.119 196 R CA 1.354 57.504 56.100 0.084 0.000 0.970 196 R CB -0.173 30.177 30.300 0.083 0.000 0.864 196 R HN 0.301 nan 8.270 nan 0.000 0.440 197 L N -0.312 120.981 121.223 0.117 0.000 2.056 197 L HA -0.041 4.299 4.340 -0.001 0.000 0.207 197 L C 2.548 179.472 176.870 0.089 0.000 1.078 197 L CA 1.394 56.294 54.840 0.100 0.000 0.749 197 L CB -0.633 41.482 42.059 0.094 0.000 0.901 197 L HN 0.462 nan 8.230 nan 0.000 0.433 198 G N -0.067 108.784 108.800 0.085 0.000 2.432 198 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.219 198 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.219 198 G C 1.555 176.490 174.900 0.058 0.000 1.135 198 G CA 0.660 45.798 45.100 0.064 0.000 0.767 198 G HN 0.220 nan 8.290 nan 0.000 0.550 199 L N 1.455 122.719 121.223 0.068 0.000 2.017 199 L HA 0.118 4.457 4.340 -0.001 0.000 0.208 199 L C 2.991 179.919 176.870 0.096 0.000 1.073 199 L CA 2.301 57.186 54.840 0.075 0.000 0.745 199 L CB -0.820 41.295 42.059 0.094 0.000 0.894 199 L HN 0.215 nan 8.230 nan 0.000 0.432 200 A N -0.775 122.115 122.820 0.117 0.000 1.930 200 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 200 A C 2.247 179.898 177.584 0.113 0.000 1.175 200 A CA 1.759 53.873 52.037 0.129 0.000 0.627 200 A CB -0.988 18.077 19.000 0.109 0.000 0.815 200 A HN 0.496 nan 8.150 nan 0.000 0.443 201 L N 0.438 121.716 121.223 0.092 0.000 1.989 201 L HA -0.205 4.135 4.340 -0.001 0.000 0.211 201 L C 1.891 178.824 176.870 0.105 0.000 1.071 201 L CA 2.509 57.400 54.840 0.084 0.000 0.749 201 L CB -0.712 41.379 42.059 0.053 0.000 0.890 201 L HN 0.353 nan 8.230 nan 0.000 0.431 202 N N -1.236 117.500 118.700 0.059 0.000 2.171 202 N HA -0.179 4.560 4.740 -0.001 0.000 0.184 202 N C 1.698 177.157 175.510 -0.084 0.000 1.021 202 N CA 1.148 54.215 53.050 0.029 0.000 0.854 202 N CB -0.540 37.956 38.487 0.015 0.000 0.994 202 N HN 0.332 nan 8.380 nan 0.000 0.426 203 F N 2.043 121.714 119.950 -0.464 0.000 2.134 203 F HA -0.104 4.422 4.527 -0.001 0.000 0.299 203 F C 2.367 178.165 175.800 -0.003 0.000 1.097 203 F CA 1.197 58.829 58.000 -0.614 0.000 1.264 203 F CB -0.912 37.815 39.000 -0.455 0.000 1.001 203 F HN 0.070 nan 8.300 nan 0.000 0.479 204 S N -0.496 115.317 115.700 0.187 0.000 2.387 204 S HA -0.109 4.360 4.470 -0.001 0.000 0.226 204 S C 2.230 177.026 174.600 0.327 0.000 1.026 204 S CA 1.149 59.484 58.200 0.224 0.000 0.972 204 S CB -1.155 62.219 63.200 0.290 0.000 0.814 204 S HN 0.140 nan 8.310 nan 0.000 0.477 205 V N 1.668 121.829 119.914 0.413 0.000 2.282 205 V HA -0.170 3.949 4.120 -0.001 0.000 0.249 205 V C 2.153 178.436 176.094 0.314 0.000 1.057 205 V CA 2.277 64.833 62.300 0.427 0.000 1.032 205 V CB -1.103 30.920 31.823 0.333 0.000 0.645 205 V HN 0.573 nan 8.190 nan 0.000 0.447 206 F N 0.477 120.512 119.950 0.141 0.000 2.095 206 F HA -0.242 4.285 4.527 -0.001 0.000 0.298 206 F C 2.517 178.347 175.800 0.050 0.000 1.104 206 F CA 2.169 60.238 58.000 0.115 0.000 1.232 206 F CB -0.578 38.519 39.000 0.161 0.000 0.987 206 F HN 0.259 nan 8.300 nan 0.000 0.475 207 H N -1.757 117.278 119.070 -0.059 0.000 2.353 207 H HA -0.205 4.350 4.556 -0.001 0.000 0.300 207 H C 2.104 177.243 175.328 -0.314 0.000 1.090 207 H CA 2.241 58.128 56.048 -0.268 0.000 1.327 207 H CB -0.867 28.780 29.762 -0.192 0.000 1.383 207 H HN 0.434 nan 8.280 nan 0.000 0.508 208 Y N 1.756 121.894 120.300 -0.270 0.000 2.163 208 Y HA -0.212 4.337 4.550 -0.002 0.000 0.288 208 Y C 2.659 178.404 175.900 -0.258 0.000 1.136 208 Y CA 1.764 59.606 58.100 -0.429 0.000 1.147 208 Y CB 0.096 38.072 38.460 -0.807 0.000 0.987 208 Y HN -0.009 nan 8.280 nan 0.000 0.509 209 E N -0.833 119.398 120.200 0.050 0.000 2.140 209 E HA -0.014 4.335 4.350 -0.001 0.000 0.191 209 E C 1.978 178.529 176.600 -0.082 0.000 0.973 209 E CA 1.020 57.462 56.400 0.070 0.000 0.829 209 E CB -0.052 29.762 29.700 0.190 0.000 0.781 209 E HN 0.429 nan 8.360 nan 0.000 0.466 210 I N -0.022 120.418 120.570 -0.217 0.000 2.512 210 I HA 0.123 4.292 4.170 -0.001 0.000 0.247 210 I C 2.270 178.183 176.117 -0.341 0.000 1.094 210 I CA 1.082 62.214 61.300 -0.281 0.000 1.427 210 I CB -0.894 36.880 38.000 -0.377 0.000 1.149 210 I HN 0.189 nan 8.210 nan 0.000 0.438 211 L N 0.036 120.963 121.223 -0.494 0.000 2.446 211 L HA 0.089 4.428 4.340 -0.001 0.000 0.219 211 L C 0.654 177.365 176.870 -0.265 0.000 1.116 211 L CA 0.306 54.928 54.840 -0.363 0.000 0.844 211 L CB -0.380 41.434 42.059 -0.409 0.000 0.970 211 L HN 0.476 nan 8.230 nan 0.000 0.457 212 N N 1.744 120.258 118.700 -0.311 0.000 2.746 212 N HA -0.194 4.545 4.740 -0.001 0.000 0.250 212 N C -0.426 174.891 175.510 -0.323 0.000 1.055 212 N CA 0.151 52.992 53.050 -0.348 0.000 0.699 212 N CB -0.482 37.856 38.487 -0.248 0.000 0.919 212 N HN 0.483 nan 8.380 nan 0.000 0.548 213 E N 0.316 120.321 120.200 -0.324 0.000 2.916 213 E HA 0.169 4.518 4.350 -0.001 0.000 0.217 213 E C -1.647 174.769 176.600 -0.307 0.000 1.100 213 E CA -1.657 54.601 56.400 -0.236 0.000 0.891 213 E CB 1.015 30.662 29.700 -0.088 0.000 1.311 213 E HN 0.354 nan 8.360 nan 0.000 0.421 214 P HA -0.232 nan 4.420 nan 0.000 0.218 214 P C 1.339 178.529 177.300 -0.184 0.000 1.148 214 P CA 0.971 63.861 63.100 -0.350 0.000 0.822 214 P CB 0.366 31.882 31.700 -0.308 0.000 0.784 215 R N 0.338 120.744 120.500 -0.157 0.000 2.066 215 R HA -0.064 4.275 4.340 -0.001 0.000 0.232 215 R C 2.280 178.486 176.300 -0.157 0.000 1.131 215 R CA 1.597 57.627 56.100 -0.116 0.000 0.955 215 R CB -0.825 29.418 30.300 -0.095 0.000 0.851 215 R HN 0.049 nan 8.270 nan 0.000 0.432 216 A N 0.887 123.567 122.820 -0.233 0.000 1.902 216 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 216 A C 2.359 179.694 177.584 -0.414 0.000 1.181 216 A CA 1.732 53.539 52.037 -0.383 0.000 0.623 216 A CB -0.704 17.936 19.000 -0.600 0.000 0.818 216 A HN 0.543 nan 8.150 nan 0.000 0.443 217 A N 0.116 122.738 122.820 -0.329 0.000 1.851 217 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 217 A C 2.139 179.702 177.584 -0.036 0.000 1.195 217 A CA 1.673 53.569 52.037 -0.235 0.000 0.622 217 A CB -0.713 18.008 19.000 -0.465 0.000 0.831 217 A HN 0.490 nan 8.150 nan 0.000 0.444 218 I N -0.196 120.371 120.570 -0.006 0.000 2.226 218 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 218 I C 1.962 178.123 176.117 0.073 0.000 1.100 218 I CA 1.654 63.051 61.300 0.162 0.000 1.374 218 I CB -0.526 37.553 38.000 0.131 0.000 1.057 218 I HN 0.260 nan 8.210 nan 0.000 0.413 219 D N 0.362 120.751 120.400 -0.019 0.000 2.123 219 D HA -0.233 4.407 4.640 -0.001 0.000 0.196 219 D C 2.099 178.377 176.300 -0.036 0.000 0.992 219 D CA 1.330 55.308 54.000 -0.037 0.000 0.833 219 D CB -0.196 40.556 40.800 -0.079 0.000 0.954 219 D HN 0.285 nan 8.370 nan 0.000 0.455 220 M N 0.063 119.614 119.600 -0.082 0.000 2.132 220 M HA -0.093 4.386 4.480 -0.001 0.000 0.263 220 M C 1.955 178.271 176.300 0.027 0.000 1.065 220 M CA 1.459 56.712 55.300 -0.079 0.000 1.122 220 M CB 0.114 32.589 32.600 -0.207 0.000 1.365 220 M HN 0.025 nan 8.290 nan 0.000 0.411 221 A N 0.421 123.300 122.820 0.100 0.000 1.898 221 A HA -0.178 4.141 4.320 -0.001 0.000 0.216 221 A C 2.164 179.820 177.584 0.120 0.000 1.181 221 A CA 1.746 53.861 52.037 0.130 0.000 0.620 221 A CB -0.679 18.430 19.000 0.182 0.000 0.819 221 A HN 0.522 nan 8.150 nan 0.000 0.442 222 K N -0.487 119.974 120.400 0.101 0.000 2.032 222 K HA -0.218 4.101 4.320 -0.001 0.000 0.209 222 K C 2.176 178.861 176.600 0.142 0.000 1.048 222 K CA 1.770 58.124 56.287 0.112 0.000 0.927 222 K CB -0.179 32.364 32.500 0.073 0.000 0.712 222 K HN 0.682 nan 8.250 nan 0.000 0.441 223 E N -0.081 120.171 120.200 0.086 0.000 2.077 223 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 223 E C 1.720 178.368 176.600 0.080 0.000 0.989 223 E CA 1.102 57.542 56.400 0.065 0.000 0.800 223 E CB -0.052 29.665 29.700 0.027 0.000 0.746 223 E HN 0.354 nan 8.360 nan 0.000 0.452 224 A N 0.394 123.272 122.820 0.097 0.000 1.929 224 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 224 A C 1.923 179.581 177.584 0.123 0.000 1.176 224 A CA 0.939 53.036 52.037 0.100 0.000 0.628 224 A CB -0.717 18.346 19.000 0.104 0.000 0.816 224 A HN 0.484 nan 8.150 nan 0.000 0.444 225 F N 1.130 121.089 119.950 0.015 0.000 2.084 225 F HA -0.035 4.491 4.527 -0.002 0.000 0.296 225 F C 2.709 178.515 175.800 0.011 0.000 1.111 225 F CA 2.408 60.414 58.000 0.009 0.000 1.224 225 F CB -0.724 38.275 39.000 -0.001 0.000 0.991 225 F HN 0.332 nan 8.300 nan 0.000 0.471 226 E N 0.743 121.006 120.200 0.105 0.000 2.058 226 E HA -0.289 4.060 4.350 -0.001 0.000 0.194 226 E C 2.135 178.697 176.600 -0.063 0.000 0.997 226 E CA 2.019 58.420 56.400 0.002 0.000 0.801 226 E CB -1.090 28.659 29.700 0.082 0.000 0.746 226 E HN 0.639 nan 8.360 nan 0.000 0.450 227 M N -0.247 119.342 119.600 -0.020 0.000 2.149 227 M HA -0.063 4.416 4.480 -0.001 0.000 0.261 227 M C 2.742 179.010 176.300 -0.054 0.000 1.064 227 M CA 1.636 56.923 55.300 -0.022 0.000 1.102 227 M CB -0.089 32.517 32.600 0.010 0.000 1.369 227 M HN 0.486 nan 8.290 nan 0.000 0.408 228 A N -0.308 122.458 122.820 -0.090 0.000 1.929 228 A HA -0.106 4.213 4.320 -0.001 0.000 0.216 228 A C 1.954 179.438 177.584 -0.167 0.000 1.176 228 A CA 1.303 53.274 52.037 -0.110 0.000 0.628 228 A CB -0.612 18.320 19.000 -0.115 0.000 0.816 228 A HN 0.423 nan 8.150 nan 0.000 0.444 229 I N -0.334 120.070 120.570 -0.277 0.000 2.617 229 I HA -0.139 4.030 4.170 -0.001 0.000 0.256 229 I C 2.197 178.227 176.117 -0.145 0.000 1.167 229 I CA 1.118 62.251 61.300 -0.278 0.000 1.469 229 I CB -0.035 37.684 38.000 -0.469 0.000 1.098 229 I HN 0.492 nan 8.210 nan 0.000 0.436 230 E N 0.621 120.758 120.200 -0.105 0.000 2.333 230 E HA -0.225 4.124 4.350 -0.001 0.000 0.198 230 E C 1.308 177.880 176.600 -0.048 0.000 1.007 230 E CA 1.345 57.710 56.400 -0.058 0.000 0.845 230 E CB 0.146 29.823 29.700 -0.038 0.000 0.766 230 E HN 0.584 nan 8.360 nan 0.000 0.507 231 Q N -1.277 118.489 119.800 -0.056 0.000 2.227 231 Q HA 0.470 4.809 4.340 -0.001 0.000 0.332 231 Q C 1.163 177.136 176.000 -0.045 0.000 0.878 231 Q CA 0.574 56.353 55.803 -0.040 0.000 1.120 231 Q CB -0.616 28.107 28.738 -0.024 0.000 1.315 231 Q HN 0.290 nan 8.270 nan 0.000 0.414 232 L N -1.038 120.150 121.223 -0.059 0.000 2.275 232 L HA -0.046 4.293 4.340 -0.001 0.000 0.215 232 L C 1.841 178.684 176.870 -0.045 0.000 1.119 232 L CA 2.508 57.315 54.840 -0.055 0.000 0.790 232 L CB -0.605 41.416 42.059 -0.065 0.000 0.919 232 L HN 0.562 nan 8.230 nan 0.000 0.443 233 D N 0.157 120.531 120.400 -0.043 0.000 2.350 233 D HA 0.094 4.733 4.640 -0.001 0.000 0.216 233 D C 2.180 178.458 176.300 -0.036 0.000 0.968 233 D CA 1.383 55.358 54.000 -0.042 0.000 0.894 233 D CB -0.029 40.750 40.800 -0.034 0.000 0.909 233 D HN 0.675 nan 8.370 nan 0.000 0.520 234 K N -0.058 120.325 120.400 -0.028 0.000 2.358 234 K HA 0.245 4.564 4.320 -0.001 0.000 0.200 234 K C 0.947 177.539 176.600 -0.013 0.000 1.030 234 K CA -0.182 56.095 56.287 -0.018 0.000 1.097 234 K CB -0.576 31.919 32.500 -0.010 0.000 0.862 234 K HN 0.138 nan 8.250 nan 0.000 0.534 235 L N 3.526 124.741 121.223 -0.014 0.000 2.615 235 L HA 0.022 4.362 4.340 -0.001 0.000 0.271 235 L C 0.861 177.734 176.870 0.004 0.000 1.183 235 L CA -0.346 54.499 54.840 0.009 0.000 0.933 235 L CB 0.517 42.592 42.059 0.027 0.000 1.199 235 L HN 0.541 nan 8.230 nan 0.000 0.487 236 S N 1.385 117.096 115.700 0.019 0.000 2.592 236 S HA 0.256 4.725 4.470 -0.001 0.000 0.271 236 S C 1.164 175.811 174.600 0.078 0.000 1.326 236 S CA -0.166 58.047 58.200 0.020 0.000 1.024 236 S CB 1.603 64.806 63.200 0.005 0.000 0.921 236 S HN 0.662 nan 8.310 nan 0.000 0.527 237 E N 0.768 121.007 120.200 0.065 0.000 2.204 237 E HA -0.039 4.311 4.350 -0.001 0.000 0.195 237 E C 1.699 178.403 176.600 0.173 0.000 0.990 237 E CA 1.755 58.241 56.400 0.144 0.000 0.821 237 E CB -1.932 27.807 29.700 0.066 0.000 0.750 237 E HN 1.009 nan 8.360 nan 0.000 0.477 238 D N -1.347 119.102 120.400 0.080 0.000 2.312 238 D HA 0.085 4.724 4.640 -0.001 0.000 0.211 238 D C 1.848 178.156 176.300 0.013 0.000 0.964 238 D CA 1.202 55.224 54.000 0.037 0.000 0.877 238 D CB -0.541 40.264 40.800 0.008 0.000 0.924 238 D HN 0.533 nan 8.370 nan 0.000 0.515 239 C N -1.242 118.079 119.300 0.036 0.000 3.294 239 C HA 0.192 4.651 4.460 -0.001 0.000 0.441 239 C C 2.305 177.294 174.990 -0.001 0.000 1.364 239 C CA 0.108 59.118 59.018 -0.013 0.000 2.059 239 C CB -0.962 26.745 27.740 -0.054 0.000 2.925 239 C HN 0.757 nan 8.230 nan 0.000 0.633 240 Y N 2.863 123.144 120.300 -0.032 0.000 2.365 240 Y HA -0.082 4.467 4.550 -0.001 0.000 0.287 240 Y C 2.039 177.932 175.900 -0.013 0.000 1.162 240 Y CA 2.021 60.107 58.100 -0.023 0.000 1.260 240 Y CB -0.842 37.605 38.460 -0.022 0.000 0.976 240 Y HN 0.194 nan 8.280 nan 0.000 0.548 241 K N 1.397 121.420 120.400 -0.629 0.000 1.965 241 K HA -0.187 4.133 4.320 -0.001 0.000 0.214 241 K C 1.500 177.983 176.600 -0.196 0.000 1.046 241 K CA 2.026 58.025 56.287 -0.480 0.000 0.944 241 K CB -1.614 30.644 32.500 -0.404 0.000 0.726 241 K HN 0.624 nan 8.250 nan 0.000 0.441 242 D N 0.412 120.737 120.400 -0.125 0.000 2.123 242 D HA -0.100 4.539 4.640 -0.001 0.000 0.196 242 D C 2.158 178.446 176.300 -0.021 0.000 0.992 242 D CA 1.575 55.543 54.000 -0.053 0.000 0.833 242 D CB -0.361 40.424 40.800 -0.025 0.000 0.954 242 D HN 0.365 nan 8.370 nan 0.000 0.455 243 S N -0.237 115.453 115.700 -0.017 0.000 2.356 243 S HA -0.153 4.316 4.470 -0.001 0.000 0.223 243 S C 2.084 176.700 174.600 0.027 0.000 1.032 243 S CA 1.539 59.749 58.200 0.016 0.000 1.005 243 S CB -0.543 62.671 63.200 0.022 0.000 0.867 243 S HN 0.345 nan 8.310 nan 0.000 0.449 244 T N 2.545 117.111 114.554 0.021 0.000 2.708 244 T HA -0.028 4.321 4.350 -0.001 0.000 0.266 244 T C 1.781 176.501 174.700 0.033 0.000 1.037 244 T CA 0.983 63.107 62.100 0.040 0.000 1.146 244 T CB -0.502 68.398 68.868 0.052 0.000 0.865 244 T HN 0.131 nan 8.240 nan 0.000 0.435 245 L N 0.606 121.830 121.223 0.001 0.000 1.991 245 L HA -0.180 4.159 4.340 -0.001 0.000 0.221 245 L C 2.263 179.145 176.870 0.019 0.000 1.079 245 L CA 1.813 56.654 54.840 0.001 0.000 0.778 245 L CB -0.438 41.613 42.059 -0.014 0.000 0.893 245 L HN 0.308 nan 8.230 nan 0.000 0.437 246 I N -1.801 118.787 120.570 0.030 0.000 2.315 246 I HA -0.324 3.845 4.170 -0.001 0.000 0.248 246 I C 2.427 178.587 176.117 0.073 0.000 1.117 246 I CA 1.285 62.611 61.300 0.043 0.000 1.404 246 I CB -0.262 37.770 38.000 0.052 0.000 1.071 246 I HN 0.286 nan 8.210 nan 0.000 0.419 247 M N -0.093 119.569 119.600 0.104 0.000 2.149 247 M HA -0.264 4.215 4.480 -0.001 0.000 0.261 247 M C 2.345 178.781 176.300 0.227 0.000 1.064 247 M CA 1.898 57.324 55.300 0.210 0.000 1.102 247 M CB -0.325 32.369 32.600 0.157 0.000 1.369 247 M HN 0.257 nan 8.290 nan 0.000 0.408 248 Q N 0.010 119.878 119.800 0.114 0.000 2.119 248 Q HA -0.103 4.236 4.340 -0.001 0.000 0.201 248 Q C 2.028 178.008 176.000 -0.032 0.000 0.972 248 Q CA 1.129 56.959 55.803 0.046 0.000 0.847 248 Q CB -0.135 28.619 28.738 0.027 0.000 0.903 248 Q HN 0.540 nan 8.270 nan 0.000 0.433 249 L N 0.174 121.378 121.223 -0.031 0.000 2.093 249 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 249 L C 2.268 179.049 176.870 -0.147 0.000 1.085 249 L CA 0.738 55.526 54.840 -0.086 0.000 0.755 249 L CB -0.450 41.574 42.059 -0.058 0.000 0.904 249 L HN 0.222 nan 8.230 nan 0.000 0.435 250 L N 0.113 121.284 121.223 -0.087 0.000 1.990 250 L HA -0.305 4.034 4.340 -0.001 0.000 0.213 250 L C 3.446 180.140 176.870 -0.293 0.000 1.072 250 L CA 2.019 56.781 54.840 -0.130 0.000 0.755 250 L CB -0.873 41.212 42.059 0.044 0.000 0.889 250 L HN 0.288 nan 8.230 nan 0.000 0.432 251 R N 0.026 120.317 120.500 -0.349 0.000 2.083 251 R HA -0.227 4.113 4.340 -0.001 0.000 0.237 251 R C 1.834 177.922 176.300 -0.354 0.000 1.137 251 R CA 2.164 57.974 56.100 -0.483 0.000 0.951 251 R CB -1.707 28.317 30.300 -0.460 0.000 0.851 251 R HN 0.402 nan 8.270 nan 0.000 0.434 252 D N 0.673 120.905 120.400 -0.280 0.000 2.123 252 D HA -0.141 4.498 4.640 -0.001 0.000 0.196 252 D C 1.632 177.690 176.300 -0.403 0.000 0.992 252 D CA 1.578 55.415 54.000 -0.271 0.000 0.833 252 D CB -0.284 40.392 40.800 -0.205 0.000 0.954 252 D HN 0.478 nan 8.370 nan 0.000 0.455 253 N N 0.231 118.595 118.700 -0.560 0.000 2.106 253 N HA -0.096 4.643 4.740 -0.001 0.000 0.188 253 N C 1.810 176.677 175.510 -1.073 0.000 1.029 253 N CA 0.286 52.710 53.050 -1.043 0.000 0.848 253 N CB -0.450 37.252 38.487 -1.308 0.000 1.007 253 N HN 0.097 nan 8.380 nan 0.000 0.423 254 L N 1.405 122.249 121.223 -0.632 0.000 2.013 254 L HA -0.149 4.190 4.340 -0.001 0.000 0.212 254 L C 2.140 178.875 176.870 -0.225 0.000 1.073 254 L CA 1.684 56.343 54.840 -0.303 0.000 0.753 254 L CB -1.797 40.111 42.059 -0.252 0.000 0.890 254 L HN 0.203 nan 8.230 nan 0.000 0.432 255 T N -0.072 114.325 114.554 -0.262 0.000 2.720 255 T HA -0.216 4.133 4.350 -0.001 0.000 0.268 255 T C 1.883 176.500 174.700 -0.139 0.000 1.037 255 T CA 1.535 63.531 62.100 -0.173 0.000 1.144 255 T CB -0.321 68.444 68.868 -0.170 0.000 0.864 255 T HN 0.206 nan 8.240 nan 0.000 0.444 256 L N -0.372 120.715 121.223 -0.227 0.000 2.072 256 L HA 0.079 4.418 4.340 -0.001 0.000 0.205 256 L C 1.919 178.788 176.870 -0.002 0.000 1.079 256 L CA 1.509 56.253 54.840 -0.160 0.000 0.752 256 L CB -0.638 41.253 42.059 -0.281 0.000 0.906 256 L HN 0.283 nan 8.230 nan 0.000 0.436 257 W N -0.415 120.789 121.300 -0.159 0.000 2.519 257 W HA 0.054 4.713 4.660 -0.002 0.000 0.266 257 W C 2.359 178.864 176.519 -0.023 0.000 1.253 257 W CA 1.049 58.314 57.345 -0.134 0.000 1.274 257 W CB -1.496 27.848 29.460 -0.193 0.000 1.114 257 W HN 0.137 nan 8.180 nan 0.000 0.596 258 T N -0.158 114.495 114.554 0.166 0.000 3.088 258 T HA 0.270 4.619 4.350 -0.001 0.000 0.259 258 T C 0.953 175.692 174.700 0.065 0.000 1.122 258 T CA 0.615 62.773 62.100 0.096 0.000 1.095 258 T CB -0.055 68.836 68.868 0.038 0.000 0.930 258 T HN -0.040 nan 8.240 nan 0.000 0.508 259 A N 0.000 122.858 122.820 0.063 0.000 2.254 259 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 259 A CA 0.000 52.065 52.037 0.047 0.000 0.836 259 A CB 0.000 19.017 19.000 0.028 0.000 0.831 259 A HN 0.000 nan 8.150 nan 0.000 0.486