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 1r5z_1_C DATA FIRST_RESID 3 DATA SEQUENCE DDFAYLNARV RVRRGTLLKE SFFQEALDLS FADFLRLLSE TVYGGELAGQ DATA SEQUENCE GLPDVDRAVL RTQAKLVGDL PRLVTGEARE AVRLLLLRND LHNLQALLRA DATA SEQUENCE KATGRPFEEV LLLPGTLREE VWRQAYEAQD PAGMAQVLAV PGHPLARALR DATA SEQUENCE AVLRETQDLA RVEALLAKRF FEDVAKAAKG LDQPALRDYL ALEVDAENLR DATA SEQUENCE TAFKLQGSGL APDAFFLKGG RFVDRVRFAR LMEGDYAVLD ELSGTPFSGL DATA SEQUENCE SGVRDLKALE RGLRcVLLKE AKKGVQDPLG VGLVLAYVKE REWEAVRLRL DATA SEQUENCE LARRAYFGLP RAQVEEEVVc 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.250 176.300 -0.083 0.000 2.045 3 D CA 0.000 53.931 54.000 -0.116 0.000 0.868 3 D CB 0.000 40.772 40.800 -0.047 0.000 0.688 4 D N 2.116 122.427 120.400 -0.150 0.000 2.783 4 D HA 0.095 4.735 4.640 0.001 0.000 0.253 4 D C -0.905 175.313 176.300 -0.136 0.000 1.206 4 D CA -0.460 53.522 54.000 -0.030 0.000 0.740 4 D CB 0.235 41.072 40.800 0.061 0.000 1.313 4 D HN 0.262 nan 8.370 nan 0.000 0.427 5 F N 1.170 121.142 119.950 0.037 0.000 2.727 5 F HA 0.312 4.840 4.527 0.000 0.000 0.302 5 F C 2.282 178.103 175.800 0.035 0.000 1.097 5 F CA 0.400 58.421 58.000 0.035 0.000 1.330 5 F CB 0.299 39.311 39.000 0.019 0.000 1.084 5 F HN 0.505 nan 8.300 nan 0.000 0.578 6 A N 0.130 123.061 122.820 0.185 0.000 1.883 6 A HA -0.296 4.024 4.320 0.001 0.000 0.217 6 A C 2.017 179.672 177.584 0.119 0.000 1.186 6 A CA 1.949 54.066 52.037 0.134 0.000 0.624 6 A CB -1.267 17.798 19.000 0.108 0.000 0.822 6 A HN 0.491 nan 8.150 nan 0.000 0.444 7 Y N -0.131 120.178 120.300 0.015 0.000 2.163 7 Y HA -0.106 4.445 4.550 0.001 0.000 0.288 7 Y C 2.034 177.934 175.900 -0.002 0.000 1.136 7 Y CA 1.642 59.740 58.100 -0.003 0.000 1.147 7 Y CB -0.470 37.978 38.460 -0.019 0.000 0.987 7 Y HN 0.232 nan 8.280 nan 0.000 0.509 8 L N 1.190 122.388 121.223 -0.041 0.000 2.012 8 L HA -0.269 4.071 4.340 0.001 0.000 0.210 8 L C 1.848 178.642 176.870 -0.126 0.000 1.073 8 L CA 2.193 56.967 54.840 -0.110 0.000 0.748 8 L CB -1.164 40.922 42.059 0.045 0.000 0.891 8 L HN 0.213 nan 8.230 nan 0.000 0.431 9 N N 0.012 118.699 118.700 -0.021 0.000 2.166 9 N HA -0.113 4.628 4.740 0.001 0.000 0.186 9 N C 1.821 177.260 175.510 -0.119 0.000 1.019 9 N CA 1.454 54.477 53.050 -0.044 0.000 0.856 9 N CB -0.500 37.997 38.487 0.015 0.000 0.993 9 N HN 0.558 nan 8.380 nan 0.000 0.426 10 A N 1.753 124.489 122.820 -0.140 0.000 1.858 10 A HA -0.123 4.197 4.320 0.001 0.000 0.216 10 A C 2.189 179.633 177.584 -0.233 0.000 1.190 10 A CA 1.126 53.068 52.037 -0.158 0.000 0.617 10 A CB -0.299 18.619 19.000 -0.137 0.000 0.827 10 A HN 0.123 nan 8.150 nan 0.000 0.443 11 R N -0.445 119.834 120.500 -0.369 0.000 2.091 11 R HA -0.106 4.234 4.340 0.001 0.000 0.238 11 R C 2.072 178.203 176.300 -0.283 0.000 1.136 11 R CA 1.528 57.422 56.100 -0.344 0.000 0.959 11 R CB -1.248 28.788 30.300 -0.440 0.000 0.856 11 R HN 0.441 nan 8.270 nan 0.000 0.437 12 V N 1.090 120.826 119.914 -0.297 0.000 2.453 12 V HA -0.154 3.966 4.120 0.001 0.000 0.247 12 V C 2.467 178.344 176.094 -0.362 0.000 1.048 12 V CA 1.386 63.432 62.300 -0.423 0.000 1.049 12 V CB -0.446 31.132 31.823 -0.409 0.000 0.672 12 V HN 0.278 nan 8.190 nan 0.000 0.457 13 R N -0.484 119.883 120.500 -0.222 0.000 2.120 13 R HA -0.110 4.230 4.340 0.001 0.000 0.234 13 R C 2.223 178.441 176.300 -0.137 0.000 1.123 13 R CA 1.193 57.202 56.100 -0.153 0.000 0.975 13 R CB -0.437 29.805 30.300 -0.098 0.000 0.866 13 R HN 0.392 nan 8.270 nan 0.000 0.446 14 V N 0.823 120.648 119.914 -0.148 0.000 2.307 14 V HA -0.236 3.884 4.120 0.001 0.000 0.245 14 V C 2.264 178.290 176.094 -0.114 0.000 1.045 14 V CA 1.663 63.896 62.300 -0.112 0.000 1.024 14 V CB -0.411 31.349 31.823 -0.105 0.000 0.651 14 V HN 0.296 nan 8.190 nan 0.000 0.449 15 R N -0.353 120.042 120.500 -0.175 0.000 2.127 15 R HA -0.117 4.224 4.340 0.001 0.000 0.238 15 R C 2.421 178.680 176.300 -0.068 0.000 1.134 15 R CA 1.188 57.197 56.100 -0.150 0.000 0.975 15 R CB -0.307 29.825 30.300 -0.281 0.000 0.865 15 R HN 0.465 nan 8.270 nan 0.000 0.447 16 R N -0.329 120.098 120.500 -0.121 0.000 2.237 16 R HA -0.055 4.285 4.340 0.001 0.000 0.219 16 R C 2.154 178.479 176.300 0.042 0.000 1.080 16 R CA 0.963 57.084 56.100 0.035 0.000 0.995 16 R CB -0.225 30.077 30.300 0.004 0.000 0.875 16 R HN 0.312 nan 8.270 nan 0.000 0.462 17 G N 0.554 109.352 108.800 -0.003 0.000 2.498 17 G HA2 -0.229 3.731 3.960 0.001 0.000 0.219 17 G HA3 -0.229 3.731 3.960 0.001 0.000 0.219 17 G C 1.235 176.142 174.900 0.010 0.000 1.119 17 G CA 1.274 46.375 45.100 0.002 0.000 0.766 17 G HN 0.415 nan 8.290 nan 0.000 0.552 18 T N -1.327 113.237 114.554 0.017 0.000 3.186 18 T HA 0.484 4.834 4.350 0.001 0.000 0.257 18 T C 0.700 175.415 174.700 0.025 0.000 1.029 18 T CA -0.534 61.568 62.100 0.003 0.000 0.916 18 T CB -0.040 68.810 68.868 -0.030 0.000 1.041 18 T HN 0.035 nan 8.240 nan 0.000 0.562 19 L N 1.780 123.047 121.223 0.072 0.000 2.456 19 L HA 0.259 4.599 4.340 0.001 0.000 0.272 19 L C 0.062 176.963 176.870 0.052 0.000 1.189 19 L CA -0.897 53.999 54.840 0.093 0.000 0.846 19 L CB 0.384 42.522 42.059 0.133 0.000 1.111 19 L HN 0.151 nan 8.230 nan 0.000 0.475 20 L N 4.061 125.302 121.223 0.029 0.000 2.416 20 L HA 0.133 4.473 4.340 0.001 0.000 0.272 20 L C 0.361 177.271 176.870 0.065 0.000 1.161 20 L CA 0.367 55.151 54.840 -0.092 0.000 0.845 20 L CB 0.321 42.100 42.059 -0.467 0.000 1.119 20 L HN 0.429 nan 8.230 nan 0.000 0.464 21 K N 2.322 122.753 120.400 0.051 0.000 2.219 21 K HA 0.073 4.393 4.320 0.001 0.000 0.258 21 K C 0.966 177.700 176.600 0.224 0.000 1.008 21 K CA -0.535 55.829 56.287 0.128 0.000 0.928 21 K CB 0.612 33.165 32.500 0.088 0.000 0.983 21 K HN 0.394 nan 8.250 nan 0.000 0.484 22 E N 0.663 121.021 120.200 0.264 0.000 2.171 22 E HA -0.197 4.154 4.350 0.001 0.000 0.197 22 E C 1.855 178.620 176.600 0.276 0.000 0.997 22 E CA 1.740 58.345 56.400 0.342 0.000 0.810 22 E CB -0.327 29.502 29.700 0.215 0.000 0.738 22 E HN 0.698 nan 8.360 nan 0.000 0.467 23 S N 0.012 115.806 115.700 0.157 0.000 2.423 23 S HA -0.143 4.328 4.470 0.001 0.000 0.231 23 S C 1.993 176.616 174.600 0.037 0.000 1.014 23 S CA 0.665 58.917 58.200 0.086 0.000 0.965 23 S CB -0.664 62.565 63.200 0.048 0.000 0.785 23 S HN 0.308 nan 8.310 nan 0.000 0.495 24 F N 1.907 121.760 119.950 -0.162 0.000 2.069 24 F HA -0.068 4.458 4.527 -0.001 0.000 0.298 24 F C 1.675 177.284 175.800 -0.318 0.000 1.113 24 F CA 1.678 59.471 58.000 -0.346 0.000 1.214 24 F CB -0.352 38.267 39.000 -0.636 0.000 0.978 24 F HN 0.190 nan 8.300 nan 0.000 0.474 25 F N 1.027 121.137 119.950 0.266 0.000 2.206 25 F HA -0.151 4.376 4.527 0.000 0.000 0.298 25 F C 2.625 178.442 175.800 0.029 0.000 1.090 25 F CA 1.272 59.374 58.000 0.170 0.000 1.323 25 F CB -1.137 37.919 39.000 0.094 0.000 1.028 25 F HN 0.124 nan 8.300 nan 0.000 0.492 26 Q N 0.592 120.496 119.800 0.173 0.000 2.119 26 Q HA -0.173 4.168 4.340 0.001 0.000 0.201 26 Q C 1.718 177.720 176.000 0.002 0.000 0.972 26 Q CA 1.517 57.369 55.803 0.082 0.000 0.847 26 Q CB -0.788 27.994 28.738 0.074 0.000 0.903 26 Q HN 0.497 nan 8.270 nan 0.000 0.433 27 E N 1.496 121.653 120.200 -0.071 0.000 2.038 27 E HA -0.177 4.173 4.350 0.001 0.000 0.195 27 E C 2.140 178.650 176.600 -0.150 0.000 1.000 27 E CA 1.167 57.485 56.400 -0.136 0.000 0.803 27 E CB -0.185 29.377 29.700 -0.230 0.000 0.750 27 E HN 0.488 nan 8.360 nan 0.000 0.448 28 A N 1.179 123.858 122.820 -0.235 0.000 2.024 28 A HA -0.174 4.146 4.320 0.001 0.000 0.220 28 A C 2.165 179.772 177.584 0.037 0.000 1.164 28 A CA 0.927 52.903 52.037 -0.100 0.000 0.643 28 A CB -0.659 18.314 19.000 -0.044 0.000 0.806 28 A HN 0.183 nan 8.150 nan 0.000 0.451 29 L N -0.551 120.693 121.223 0.034 0.000 2.129 29 L HA -0.208 4.132 4.340 0.001 0.000 0.212 29 L C 0.916 177.800 176.870 0.022 0.000 1.087 29 L CA 1.548 56.412 54.840 0.040 0.000 0.757 29 L CB -0.242 41.842 42.059 0.042 0.000 0.896 29 L HN 0.358 nan 8.230 nan 0.000 0.434 30 D N -0.693 119.712 120.400 0.008 0.000 2.424 30 D HA 0.244 4.884 4.640 0.001 0.000 0.220 30 D C 0.223 176.527 176.300 0.006 0.000 1.150 30 D CA 0.160 54.163 54.000 0.005 0.000 0.831 30 D CB 0.444 41.241 40.800 -0.004 0.000 0.981 30 D HN 0.226 nan 8.370 nan 0.000 0.500 31 L N 0.965 122.199 121.223 0.020 0.000 2.334 31 L HA 0.258 4.598 4.340 0.001 0.000 0.275 31 L C 1.146 178.051 176.870 0.059 0.000 1.036 31 L CA -0.752 54.105 54.840 0.028 0.000 0.807 31 L CB 1.554 43.628 42.059 0.025 0.000 1.231 31 L HN -0.098 nan 8.230 nan 0.000 0.438 32 S N 0.655 116.387 115.700 0.053 0.000 2.596 32 S HA 0.023 4.494 4.470 0.001 0.000 0.260 32 S C 0.825 175.516 174.600 0.152 0.000 1.336 32 S CA -0.231 58.017 58.200 0.080 0.000 0.993 32 S CB 0.403 63.635 63.200 0.054 0.000 0.923 32 S HN 0.527 nan 8.310 nan 0.000 0.567 33 F N 1.504 121.465 119.950 0.018 0.000 2.234 33 F HA 0.071 4.599 4.527 0.001 0.000 0.299 33 F C 2.434 178.313 175.800 0.131 0.000 1.087 33 F CA 1.151 59.199 58.000 0.080 0.000 1.340 33 F CB -1.064 37.965 39.000 0.048 0.000 1.031 33 F HN 0.764 nan 8.300 nan 0.000 0.500 34 A N -0.156 122.718 122.820 0.090 0.000 1.877 34 A HA -0.199 4.122 4.320 0.001 0.000 0.216 34 A C 2.027 179.576 177.584 -0.059 0.000 1.186 34 A CA 2.055 54.088 52.037 -0.007 0.000 0.620 34 A CB -0.934 18.084 19.000 0.030 0.000 0.822 34 A HN 0.367 nan 8.150 nan 0.000 0.443 35 D N -1.465 118.920 120.400 -0.025 0.000 2.183 35 D HA -0.066 4.574 4.640 0.001 0.000 0.203 35 D C 1.569 177.810 176.300 -0.100 0.000 0.969 35 D CA 0.866 54.831 54.000 -0.058 0.000 0.842 35 D CB -0.325 40.451 40.800 -0.040 0.000 0.957 35 D HN 0.480 nan 8.370 nan 0.000 0.484 36 F N 1.490 121.312 119.950 -0.213 0.000 2.102 36 F HA -0.128 4.400 4.527 0.001 0.000 0.298 36 F C 2.063 177.698 175.800 -0.276 0.000 1.105 36 F CA 1.120 58.968 58.000 -0.254 0.000 1.239 36 F CB -0.313 38.547 39.000 -0.233 0.000 0.991 36 F HN -0.141 nan 8.300 nan 0.000 0.474 37 L N 0.193 121.227 121.223 -0.316 0.000 2.043 37 L HA -0.258 4.082 4.340 0.001 0.000 0.212 37 L C 2.666 179.376 176.870 -0.268 0.000 1.075 37 L CA 1.731 56.366 54.840 -0.340 0.000 0.752 37 L CB -0.772 41.103 42.059 -0.306 0.000 0.891 37 L HN 0.111 nan 8.230 nan 0.000 0.432 38 R N -0.388 119.987 120.500 -0.209 0.000 2.073 38 R HA -0.175 4.165 4.340 0.001 0.000 0.234 38 R C 2.255 178.449 176.300 -0.177 0.000 1.134 38 R CA 1.236 57.243 56.100 -0.156 0.000 0.952 38 R CB -0.598 29.632 30.300 -0.117 0.000 0.850 38 R HN 0.170 nan 8.270 nan 0.000 0.433 39 L N 1.001 122.072 121.223 -0.254 0.000 2.012 39 L HA -0.165 4.175 4.340 0.001 0.000 0.210 39 L C 2.118 178.904 176.870 -0.139 0.000 1.073 39 L CA 1.467 56.147 54.840 -0.267 0.000 0.748 39 L CB -0.471 41.282 42.059 -0.510 0.000 0.891 39 L HN 0.128 nan 8.230 nan 0.000 0.431 40 L N -0.742 120.314 121.223 -0.279 0.000 2.083 40 L HA -0.164 4.177 4.340 0.001 0.000 0.209 40 L C 2.737 179.554 176.870 -0.087 0.000 1.083 40 L CA 2.002 56.735 54.840 -0.178 0.000 0.752 40 L CB -0.826 40.979 42.059 -0.423 0.000 0.899 40 L HN 0.583 nan 8.230 nan 0.000 0.433 41 S N -0.539 115.096 115.700 -0.108 0.000 2.442 41 S HA -0.192 4.278 4.470 0.001 0.000 0.236 41 S C 1.451 176.031 174.600 -0.034 0.000 1.007 41 S CA 1.051 59.216 58.200 -0.058 0.000 0.965 41 S CB -0.769 62.392 63.200 -0.065 0.000 0.773 41 S HN 0.770 nan 8.310 nan 0.000 0.504 42 E N 1.502 121.683 120.200 -0.031 0.000 2.489 42 E HA 0.082 4.433 4.350 0.001 0.000 0.193 42 E C 0.868 177.466 176.600 -0.004 0.000 1.057 42 E CA 0.465 56.855 56.400 -0.017 0.000 0.866 42 E CB -0.261 29.427 29.700 -0.020 0.000 0.916 42 E HN 0.718 nan 8.360 nan 0.000 0.500 43 T N -2.684 111.873 114.554 0.005 0.000 2.910 43 T HA 0.196 4.546 4.350 0.001 0.000 0.279 43 T C 1.181 175.878 174.700 -0.005 0.000 0.989 43 T CA -0.522 61.578 62.100 0.000 0.000 0.968 43 T CB 1.691 70.556 68.868 -0.006 0.000 1.135 43 T HN -0.105 nan 8.240 nan 0.000 0.562 44 V N 0.313 120.197 119.914 -0.050 0.000 2.568 44 V HA -0.125 3.996 4.120 0.001 0.000 0.253 44 V C 1.853 177.845 176.094 -0.169 0.000 1.072 44 V CA 1.592 63.812 62.300 -0.134 0.000 1.084 44 V CB -1.313 30.380 31.823 -0.217 0.000 0.676 44 V HN 0.872 nan 8.190 nan 0.000 0.469 45 Y N 0.813 121.057 120.300 -0.092 0.000 2.497 45 Y HA 0.058 4.608 4.550 -0.000 0.000 0.292 45 Y C 2.427 178.290 175.900 -0.061 0.000 1.137 45 Y CA 1.044 59.098 58.100 -0.077 0.000 1.285 45 Y CB -0.815 37.581 38.460 -0.107 0.000 0.991 45 Y HN 0.341 nan 8.280 nan 0.000 0.556 46 G N -0.268 108.574 108.800 0.069 0.000 2.432 46 G HA2 -0.221 3.740 3.960 0.001 0.000 0.219 46 G HA3 -0.221 3.740 3.960 0.001 0.000 0.219 46 G C 1.962 176.870 174.900 0.012 0.000 1.135 46 G CA 0.851 45.965 45.100 0.024 0.000 0.767 46 G HN 0.499 nan 8.290 nan 0.000 0.550 47 G N -0.149 108.650 108.800 -0.002 0.000 2.679 47 G HA2 0.065 4.025 3.960 0.001 0.000 0.212 47 G HA3 0.065 4.025 3.960 0.001 0.000 0.212 47 G C 1.273 176.175 174.900 0.004 0.000 1.137 47 G CA 0.406 45.501 45.100 -0.008 0.000 0.787 47 G HN 0.417 nan 8.290 nan 0.000 0.534 48 E N -0.656 119.556 120.200 0.021 0.000 2.583 48 E HA 0.151 4.501 4.350 0.001 0.000 0.213 48 E C -0.250 176.379 176.600 0.049 0.000 0.989 48 E CA -0.507 55.914 56.400 0.035 0.000 0.991 48 E CB 0.772 30.499 29.700 0.044 0.000 1.040 48 E HN 0.266 nan 8.360 nan 0.000 0.481 49 L N 1.292 122.541 121.223 0.043 0.000 2.283 49 L HA 0.316 4.656 4.340 0.001 0.000 0.287 49 L C 0.570 177.459 176.870 0.032 0.000 1.073 49 L CA 0.008 54.872 54.840 0.041 0.000 0.822 49 L CB 0.919 42.993 42.059 0.025 0.000 1.186 49 L HN -0.054 nan 8.230 nan 0.000 0.436 50 A N 3.589 126.432 122.820 0.038 0.000 2.538 50 A HA 0.771 5.091 4.320 0.001 0.000 0.269 50 A C 0.560 178.167 177.584 0.038 0.000 1.231 50 A CA 0.415 52.472 52.037 0.034 0.000 0.948 50 A CB -0.207 18.814 19.000 0.034 0.000 1.110 50 A HN 0.817 nan 8.150 nan 0.000 0.529 51 G N -1.493 107.335 108.800 0.046 0.000 2.548 51 G HA2 0.456 4.416 3.960 0.001 0.000 0.301 51 G HA3 0.456 4.416 3.960 0.001 0.000 0.301 51 G C -0.674 174.272 174.900 0.077 0.000 1.349 51 G CA -0.361 44.773 45.100 0.057 0.000 0.792 51 G HN 0.016 nan 8.290 nan 0.000 0.481 52 Q N -0.852 119.013 119.800 0.109 0.000 2.139 52 Q HA 0.312 4.652 4.340 0.001 0.000 0.219 52 Q C 0.877 177.071 176.000 0.323 0.000 0.805 52 Q CA -0.039 55.865 55.803 0.167 0.000 1.024 52 Q CB 1.833 30.657 28.738 0.143 0.000 1.163 52 Q HN 0.629 nan 8.270 nan 0.000 0.485 53 G N 0.208 109.146 108.800 0.229 0.000 2.521 53 G HA2 0.300 4.260 3.960 0.001 0.000 0.323 53 G HA3 0.300 4.260 3.960 0.001 0.000 0.323 53 G C 0.320 175.278 174.900 0.097 0.000 1.211 53 G CA -0.557 44.649 45.100 0.177 0.000 0.979 53 G HN 0.125 nan 8.290 nan 0.000 0.490 54 L N 0.904 121.901 121.223 -0.376 0.000 2.042 54 L HA 0.052 4.392 4.340 0.001 0.000 0.210 54 L C -0.101 176.672 176.870 -0.162 0.000 1.076 54 L CA 2.006 56.587 54.840 -0.432 0.000 0.749 54 L CB -0.735 40.611 42.059 -1.187 0.000 0.893 54 L HN 0.360 nan 8.230 nan 0.000 0.432 55 P HA -0.123 nan 4.420 nan 0.000 0.219 55 P C 0.865 178.165 177.300 0.001 0.000 1.146 55 P CA 1.462 64.526 63.100 -0.061 0.000 0.808 55 P CB -0.117 31.557 31.700 -0.043 0.000 0.779 56 D N -1.043 119.378 120.400 0.034 0.000 2.183 56 D HA -0.065 4.576 4.640 0.001 0.000 0.203 56 D C 1.952 178.298 176.300 0.076 0.000 0.969 56 D CA 0.890 54.927 54.000 0.061 0.000 0.842 56 D CB -0.242 40.605 40.800 0.078 0.000 0.957 56 D HN 0.042 nan 8.370 nan 0.000 0.484 57 V N 1.916 121.892 119.914 0.104 0.000 2.270 57 V HA -0.210 3.910 4.120 0.001 0.000 0.245 57 V C 1.974 178.112 176.094 0.073 0.000 1.043 57 V CA 1.665 64.037 62.300 0.119 0.000 1.014 57 V CB -0.406 31.546 31.823 0.214 0.000 0.645 57 V HN 0.014 nan 8.190 nan 0.000 0.447 58 D N 0.014 120.436 120.400 0.037 0.000 2.133 58 D HA -0.175 4.466 4.640 0.001 0.000 0.195 58 D C 2.395 178.714 176.300 0.032 0.000 0.997 58 D CA 1.341 55.348 54.000 0.012 0.000 0.840 58 D CB -0.302 40.480 40.800 -0.030 0.000 0.947 58 D HN 0.379 nan 8.370 nan 0.000 0.452 59 R N 0.431 120.955 120.500 0.041 0.000 2.092 59 R HA 0.010 4.350 4.340 0.001 0.000 0.231 59 R C 2.266 178.613 176.300 0.078 0.000 1.119 59 R CA 1.052 57.186 56.100 0.057 0.000 0.970 59 R CB -0.239 30.094 30.300 0.055 0.000 0.864 59 R HN 0.118 nan 8.270 nan 0.000 0.440 60 A N 0.762 123.636 122.820 0.090 0.000 1.902 60 A HA -0.109 4.211 4.320 0.001 0.000 0.217 60 A C 2.360 180.072 177.584 0.213 0.000 1.181 60 A CA 1.312 53.426 52.037 0.129 0.000 0.623 60 A CB -0.496 18.581 19.000 0.128 0.000 0.818 60 A HN 0.100 nan 8.150 nan 0.000 0.443 61 V N -0.219 119.808 119.914 0.189 0.000 2.295 61 V HA -0.245 3.875 4.120 0.001 0.000 0.246 61 V C 2.539 178.754 176.094 0.202 0.000 1.049 61 V CA 1.918 64.372 62.300 0.257 0.000 1.024 61 V CB -0.723 31.139 31.823 0.065 0.000 0.648 61 V HN 0.577 nan 8.190 nan 0.000 0.447 62 L N -0.588 120.703 121.223 0.114 0.000 2.012 62 L HA -0.210 4.131 4.340 0.001 0.000 0.210 62 L C 2.863 179.786 176.870 0.088 0.000 1.073 62 L CA 1.823 56.716 54.840 0.089 0.000 0.748 62 L CB -0.351 41.752 42.059 0.073 0.000 0.891 62 L HN 0.245 nan 8.230 nan 0.000 0.431 63 R N -1.441 119.109 120.500 0.084 0.000 2.090 63 R HA -0.102 4.238 4.340 0.001 0.000 0.228 63 R C 2.156 178.476 176.300 0.033 0.000 1.110 63 R CA 1.702 57.839 56.100 0.061 0.000 0.973 63 R CB -0.530 29.802 30.300 0.054 0.000 0.869 63 R HN 0.358 nan 8.270 nan 0.000 0.440 64 T N 1.313 115.883 114.554 0.025 0.000 2.708 64 T HA -0.133 4.217 4.350 0.001 0.000 0.266 64 T C 1.846 176.496 174.700 -0.083 0.000 1.037 64 T CA 1.054 63.092 62.100 -0.103 0.000 1.146 64 T CB -0.081 68.590 68.868 -0.328 0.000 0.865 64 T HN 0.245 nan 8.240 nan 0.000 0.435 65 Q N 0.784 120.588 119.800 0.006 0.000 2.124 65 Q HA -0.043 4.297 4.340 0.001 0.000 0.202 65 Q C 2.745 178.762 176.000 0.029 0.000 0.977 65 Q CA 1.475 57.290 55.803 0.019 0.000 0.850 65 Q CB -0.522 28.253 28.738 0.062 0.000 0.901 65 Q HN 0.575 nan 8.270 nan 0.000 0.429 66 A N 2.389 125.237 122.820 0.046 0.000 1.940 66 A HA -0.227 4.093 4.320 0.001 0.000 0.219 66 A C 2.087 179.699 177.584 0.046 0.000 1.176 66 A CA 2.000 54.072 52.037 0.059 0.000 0.631 66 A CB -0.405 18.637 19.000 0.070 0.000 0.814 66 A HN 0.457 nan 8.150 nan 0.000 0.446 67 K N -0.786 119.628 120.400 0.023 0.000 2.314 67 K HA 0.224 4.544 4.320 0.001 0.000 0.198 67 K C 1.379 177.994 176.600 0.025 0.000 1.045 67 K CA 0.811 57.109 56.287 0.019 0.000 0.988 67 K CB -0.188 32.312 32.500 0.000 0.000 0.783 67 K HN 0.417 nan 8.250 nan 0.000 0.484 68 L N 0.825 122.061 121.223 0.021 0.000 2.513 68 L HA 0.095 4.435 4.340 0.001 0.000 0.222 68 L C 1.503 178.471 176.870 0.164 0.000 1.096 68 L CA -0.046 54.838 54.840 0.075 0.000 0.857 68 L CB 0.657 42.741 42.059 0.041 0.000 1.026 68 L HN -0.006 nan 8.230 nan 0.000 0.469 69 V N -1.609 118.365 119.914 0.099 0.000 3.159 69 V HA 0.171 4.291 4.120 0.001 0.000 0.234 69 V C 2.296 178.450 176.094 0.100 0.000 1.313 69 V CA 0.928 63.294 62.300 0.110 0.000 1.271 69 V CB 0.179 32.014 31.823 0.020 0.000 1.053 69 V HN 0.313 nan 8.190 nan 0.000 0.476 70 G N 1.656 110.505 108.800 0.083 0.000 2.450 70 G HA2 -0.277 3.683 3.960 0.001 0.000 0.220 70 G HA3 -0.277 3.683 3.960 0.001 0.000 0.220 70 G C 1.032 175.982 174.900 0.083 0.000 1.130 70 G CA 1.381 46.533 45.100 0.087 0.000 0.760 70 G HN 0.688 nan 8.290 nan 0.000 0.557 71 D N 0.337 120.783 120.400 0.076 0.000 2.339 71 D HA 0.055 4.695 4.640 0.001 0.000 0.217 71 D C 2.211 178.553 176.300 0.070 0.000 1.050 71 D CA -0.264 53.776 54.000 0.067 0.000 0.856 71 D CB -0.373 40.460 40.800 0.055 0.000 0.922 71 D HN 0.349 nan 8.370 nan 0.000 0.518 72 L N 0.166 121.441 121.223 0.086 0.000 2.043 72 L HA -0.117 4.224 4.340 0.001 0.000 0.212 72 L C -0.359 176.554 176.870 0.072 0.000 1.075 72 L CA 1.485 56.377 54.840 0.087 0.000 0.752 72 L CB -1.606 40.527 42.059 0.123 0.000 0.891 72 L HN 0.084 nan 8.230 nan 0.000 0.432 73 P HA -0.168 nan 4.420 nan 0.000 0.219 73 P C 1.318 178.639 177.300 0.035 0.000 1.146 73 P CA 1.235 64.365 63.100 0.049 0.000 0.808 73 P CB -0.048 31.683 31.700 0.053 0.000 0.779 74 R N -0.819 119.707 120.500 0.044 0.000 2.285 74 R HA 0.051 4.391 4.340 0.001 0.000 0.213 74 R C 1.473 177.808 176.300 0.058 0.000 1.068 74 R CA 0.670 56.795 56.100 0.042 0.000 1.004 74 R CB -0.497 29.831 30.300 0.045 0.000 0.873 74 R HN 0.249 nan 8.270 nan 0.000 0.467 75 L N -0.048 121.220 121.223 0.075 0.000 2.640 75 L HA 0.207 4.547 4.340 0.001 0.000 0.230 75 L C -0.076 176.864 176.870 0.116 0.000 1.123 75 L CA -0.321 54.605 54.840 0.145 0.000 0.900 75 L CB 0.478 42.616 42.059 0.130 0.000 1.146 75 L HN -0.085 nan 8.230 nan 0.000 0.484 76 V N -5.443 114.480 119.914 0.015 0.000 3.182 76 V HA 0.730 4.850 4.120 0.001 0.000 0.308 76 V C -0.568 175.482 176.094 -0.073 0.000 1.240 76 V CA -0.579 61.679 62.300 -0.070 0.000 1.063 76 V CB 2.021 33.725 31.823 -0.198 0.000 1.076 76 V HN -0.101 nan 8.190 nan 0.000 0.446 77 T N -0.922 113.567 114.554 -0.109 0.000 2.841 77 T HA 0.748 5.098 4.350 0.001 0.000 0.296 77 T C 0.316 174.961 174.700 -0.091 0.000 1.166 77 T CA 1.117 63.170 62.100 -0.079 0.000 1.007 77 T CB 1.131 69.959 68.868 -0.067 0.000 1.253 77 T HN 2.635 nan 8.240 nan 0.000 0.511 78 G N 1.887 110.653 108.800 -0.058 0.000 2.596 78 G HA2 -0.315 3.646 3.960 0.001 0.000 0.295 78 G HA3 -0.315 3.646 3.960 0.001 0.000 0.295 78 G C 0.834 175.708 174.900 -0.043 0.000 1.240 78 G CA 1.292 46.364 45.100 -0.046 0.000 0.985 78 G HN 1.030 nan 8.290 nan 0.000 0.555 79 E N 0.665 120.847 120.200 -0.030 0.000 2.118 79 E HA -0.003 4.347 4.350 0.001 0.000 0.195 79 E C 2.804 179.398 176.600 -0.009 0.000 0.992 79 E CA 2.178 58.580 56.400 0.002 0.000 0.804 79 E CB -0.502 29.221 29.700 0.038 0.000 0.741 79 E HN 1.080 nan 8.360 nan 0.000 0.458 80 A N 1.670 124.400 122.820 -0.151 0.000 1.902 80 A HA -0.207 4.114 4.320 0.001 0.000 0.217 80 A C 2.281 179.738 177.584 -0.212 0.000 1.181 80 A CA 1.643 53.421 52.037 -0.432 0.000 0.623 80 A CB -0.661 17.665 19.000 -1.125 0.000 0.818 80 A HN 0.332 nan 8.150 nan 0.000 0.443 81 R N -0.059 120.357 120.500 -0.139 0.000 2.096 81 R HA -0.155 4.186 4.340 0.001 0.000 0.235 81 R C 1.905 178.211 176.300 0.009 0.000 1.127 81 R CA 1.755 57.825 56.100 -0.050 0.000 0.968 81 R CB -0.292 29.983 30.300 -0.042 0.000 0.861 81 R HN 0.667 nan 8.270 nan 0.000 0.440 82 E N 0.027 120.235 120.200 0.013 0.000 2.110 82 E HA -0.170 4.180 4.350 0.001 0.000 0.193 82 E C 1.963 178.608 176.600 0.076 0.000 0.988 82 E CA 1.207 57.629 56.400 0.037 0.000 0.804 82 E CB -0.096 29.620 29.700 0.027 0.000 0.745 82 E HN 0.492 nan 8.360 nan 0.000 0.458 83 A N 0.812 123.706 122.820 0.122 0.000 1.898 83 A HA -0.134 4.186 4.320 0.001 0.000 0.216 83 A C 2.480 180.170 177.584 0.177 0.000 1.181 83 A CA 1.109 53.254 52.037 0.180 0.000 0.620 83 A CB -0.592 18.600 19.000 0.320 0.000 0.819 83 A HN 0.122 nan 8.150 nan 0.000 0.442 84 V N 0.363 120.386 119.914 0.181 0.000 2.427 84 V HA -0.237 3.884 4.120 0.001 0.000 0.248 84 V C 2.670 178.838 176.094 0.124 0.000 1.051 84 V CA 2.215 64.612 62.300 0.162 0.000 1.048 84 V CB -0.833 31.077 31.823 0.145 0.000 0.666 84 V HN 0.760 nan 8.190 nan 0.000 0.456 85 R N 0.162 120.723 120.500 0.101 0.000 2.120 85 R HA -0.120 4.220 4.340 0.001 0.000 0.234 85 R C 2.191 178.560 176.300 0.115 0.000 1.123 85 R CA 1.563 57.719 56.100 0.093 0.000 0.975 85 R CB -0.368 29.969 30.300 0.061 0.000 0.866 85 R HN 0.441 nan 8.270 nan 0.000 0.446 86 L N 0.704 121.997 121.223 0.116 0.000 2.083 86 L HA -0.184 4.156 4.340 0.001 0.000 0.209 86 L C 2.404 179.389 176.870 0.191 0.000 1.083 86 L CA 1.184 56.109 54.840 0.142 0.000 0.752 86 L CB -0.367 41.762 42.059 0.117 0.000 0.899 86 L HN 0.301 nan 8.230 nan 0.000 0.433 87 L N -0.731 120.587 121.223 0.157 0.000 2.046 87 L HA -0.236 4.105 4.340 0.001 0.000 0.208 87 L C 2.478 179.433 176.870 0.142 0.000 1.077 87 L CA 1.161 56.087 54.840 0.144 0.000 0.747 87 L CB -0.474 41.644 42.059 0.100 0.000 0.896 87 L HN 0.278 nan 8.230 nan 0.000 0.432 88 L N -0.585 120.722 121.223 0.141 0.000 2.056 88 L HA -0.196 4.144 4.340 0.001 0.000 0.207 88 L C 2.543 179.524 176.870 0.184 0.000 1.078 88 L CA 1.060 55.987 54.840 0.145 0.000 0.749 88 L CB -0.487 41.657 42.059 0.142 0.000 0.901 88 L HN 0.291 nan 8.230 nan 0.000 0.433 89 L N -0.434 120.921 121.223 0.221 0.000 2.079 89 L HA -0.212 4.129 4.340 0.001 0.000 0.210 89 L C 2.883 179.884 176.870 0.217 0.000 1.081 89 L CA 1.036 56.058 54.840 0.304 0.000 0.752 89 L CB -0.545 41.723 42.059 0.348 0.000 0.896 89 L HN 0.283 nan 8.230 nan 0.000 0.433 90 R N 0.317 120.928 120.500 0.184 0.000 2.148 90 R HA -0.124 4.217 4.340 0.001 0.000 0.227 90 R C 1.766 177.995 176.300 -0.119 0.000 1.103 90 R CA 1.114 57.134 56.100 -0.132 0.000 0.983 90 R CB -0.154 30.210 30.300 0.107 0.000 0.874 90 R HN 0.418 nan 8.270 nan 0.000 0.451 91 N N 1.011 119.723 118.700 0.020 0.000 2.331 91 N HA -0.109 4.631 4.740 0.001 0.000 0.180 91 N C 1.062 176.587 175.510 0.025 0.000 1.019 91 N CA 0.999 54.066 53.050 0.029 0.000 0.881 91 N CB -0.264 38.253 38.487 0.049 0.000 0.972 91 N HN 0.193 nan 8.380 nan 0.000 0.435 92 D N 0.562 121.022 120.400 0.100 0.000 2.144 92 D HA -0.109 4.531 4.640 0.001 0.000 0.199 92 D C 2.026 178.335 176.300 0.016 0.000 0.984 92 D CA 0.372 54.496 54.000 0.206 0.000 0.834 92 D CB -0.264 40.776 40.800 0.401 0.000 0.955 92 D HN 0.154 nan 8.370 nan 0.000 0.465 93 L N 0.565 121.689 121.223 -0.165 0.000 2.012 93 L HA -0.214 4.126 4.340 0.001 0.000 0.210 93 L C 2.317 179.058 176.870 -0.215 0.000 1.073 93 L CA 1.970 56.620 54.840 -0.317 0.000 0.748 93 L CB -0.807 40.735 42.059 -0.861 0.000 0.891 93 L HN 0.080 nan 8.230 nan 0.000 0.431 94 H N -0.392 118.536 119.070 -0.237 0.000 2.319 94 H HA -0.193 4.363 4.556 0.001 0.000 0.297 94 H C 2.015 177.197 175.328 -0.244 0.000 1.097 94 H CA 2.414 58.354 56.048 -0.179 0.000 1.285 94 H CB -0.129 29.551 29.762 -0.138 0.000 1.368 94 H HN 0.422 nan 8.280 nan 0.000 0.495 95 N N 0.040 118.471 118.700 -0.449 0.000 2.120 95 N HA -0.124 4.617 4.740 0.001 0.000 0.188 95 N C 2.004 177.089 175.510 -0.709 0.000 1.024 95 N CA 1.173 53.738 53.050 -0.809 0.000 0.852 95 N CB -0.548 37.075 38.487 -1.439 0.000 1.003 95 N HN 0.371 nan 8.380 nan 0.000 0.424 96 L N 1.511 122.479 121.223 -0.425 0.000 2.027 96 L HA -0.113 4.227 4.340 0.001 0.000 0.206 96 L C 2.032 178.848 176.870 -0.090 0.000 1.074 96 L CA 1.640 56.456 54.840 -0.039 0.000 0.745 96 L CB -0.711 41.437 42.059 0.149 0.000 0.898 96 L HN 0.164 nan 8.230 nan 0.000 0.433 97 Q N -0.561 119.142 119.800 -0.161 0.000 2.061 97 Q HA -0.220 4.120 4.340 0.001 0.000 0.204 97 Q C 2.268 178.168 176.000 -0.166 0.000 0.984 97 Q CA 1.817 57.543 55.803 -0.129 0.000 0.846 97 Q CB -0.433 28.236 28.738 -0.115 0.000 0.902 97 Q HN 0.709 nan 8.270 nan 0.000 0.421 98 A N 0.885 123.501 122.820 -0.340 0.000 1.883 98 A HA -0.196 4.124 4.320 0.001 0.000 0.217 98 A C 2.094 179.611 177.584 -0.113 0.000 1.186 98 A CA 1.306 53.165 52.037 -0.297 0.000 0.624 98 A CB -0.801 17.882 19.000 -0.528 0.000 0.822 98 A HN 0.296 nan 8.150 nan 0.000 0.444 99 L N -0.729 120.449 121.223 -0.076 0.000 2.017 99 L HA -0.200 4.141 4.340 0.001 0.000 0.208 99 L C 2.616 179.566 176.870 0.134 0.000 1.073 99 L CA 1.231 56.151 54.840 0.135 0.000 0.745 99 L CB -0.537 41.663 42.059 0.235 0.000 0.894 99 L HN 0.387 nan 8.230 nan 0.000 0.432 100 L N -0.635 120.624 121.223 0.059 0.000 2.042 100 L HA -0.261 4.080 4.340 0.001 0.000 0.210 100 L C 2.808 179.695 176.870 0.029 0.000 1.076 100 L CA 1.434 56.294 54.840 0.034 0.000 0.749 100 L CB -0.542 41.534 42.059 0.027 0.000 0.893 100 L HN 0.247 nan 8.230 nan 0.000 0.432 101 R N 0.200 120.713 120.500 0.022 0.000 2.081 101 R HA -0.166 4.174 4.340 0.001 0.000 0.235 101 R C 2.339 178.670 176.300 0.052 0.000 1.131 101 R CA 1.378 57.493 56.100 0.026 0.000 0.960 101 R CB -0.244 30.061 30.300 0.008 0.000 0.856 101 R HN 0.339 nan 8.270 nan 0.000 0.436 102 A N 1.098 123.973 122.820 0.092 0.000 1.877 102 A HA -0.203 4.117 4.320 0.001 0.000 0.216 102 A C 2.066 179.777 177.584 0.212 0.000 1.186 102 A CA 1.786 53.924 52.037 0.167 0.000 0.620 102 A CB -0.471 18.675 19.000 0.244 0.000 0.822 102 A HN 0.296 nan 8.150 nan 0.000 0.443 103 K N 0.142 120.629 120.400 0.146 0.000 2.026 103 K HA -0.011 4.309 4.320 0.001 0.000 0.208 103 K C 1.948 178.528 176.600 -0.034 0.000 1.048 103 K CA 1.745 57.975 56.287 -0.096 0.000 0.929 103 K CB -0.547 31.767 32.500 -0.311 0.000 0.713 103 K HN 0.332 nan 8.250 nan 0.000 0.439 104 A N -0.541 122.276 122.820 -0.004 0.000 1.968 104 A HA -0.076 4.244 4.320 0.001 0.000 0.217 104 A C 1.913 179.509 177.584 0.020 0.000 1.169 104 A CA 1.889 53.927 52.037 0.003 0.000 0.638 104 A CB -0.695 18.311 19.000 0.010 0.000 0.812 104 A HN 0.543 nan 8.150 nan 0.000 0.446 105 T N -5.111 109.466 114.554 0.037 0.000 3.092 105 T HA 0.439 4.789 4.350 0.001 0.000 0.258 105 T C 1.112 175.839 174.700 0.046 0.000 1.031 105 T CA 0.942 63.064 62.100 0.036 0.000 0.925 105 T CB 0.171 69.059 68.868 0.033 0.000 1.036 105 T HN 1.659 nan 8.240 nan 0.000 0.544 106 G N 2.011 110.851 108.800 0.067 0.000 2.160 106 G HA2 -0.268 3.693 3.960 0.001 0.000 0.244 106 G HA3 -0.268 3.693 3.960 0.001 0.000 0.244 106 G C -0.066 174.890 174.900 0.094 0.000 1.022 106 G CA -0.020 45.129 45.100 0.082 0.000 0.741 106 G HN 0.836 nan 8.290 nan 0.000 0.508 107 R N 0.832 121.401 120.500 0.116 0.000 2.265 107 R HA 0.524 4.865 4.340 0.001 0.000 0.319 107 R C -2.124 174.248 176.300 0.120 0.000 1.006 107 R CA -1.869 54.281 56.100 0.083 0.000 0.880 107 R CB 1.392 31.722 30.300 0.050 0.000 1.077 107 R HN 0.117 nan 8.270 nan 0.000 0.454 108 P HA -0.031 nan 4.420 nan 0.000 0.272 108 P C 0.220 177.376 177.300 -0.239 0.000 1.230 108 P CA -0.239 62.848 63.100 -0.021 0.000 0.788 108 P CB 0.391 32.087 31.700 -0.007 0.000 0.949 109 F N 2.186 121.697 119.950 -0.731 0.000 2.120 109 F HA -0.242 4.285 4.527 0.001 0.000 0.300 109 F C 1.797 177.407 175.800 -0.315 0.000 1.095 109 F CA 1.958 59.479 58.000 -0.798 0.000 1.249 109 F CB -0.640 37.888 39.000 -0.786 0.000 0.995 109 F HN 0.274 nan 8.300 nan 0.000 0.480 110 E N 0.312 120.362 120.200 -0.251 0.000 2.219 110 E HA -0.215 4.135 4.350 0.001 0.000 0.198 110 E C 1.883 178.328 176.600 -0.258 0.000 0.998 110 E CA 1.687 57.950 56.400 -0.228 0.000 0.818 110 E CB -0.329 29.334 29.700 -0.062 0.000 0.741 110 E HN 0.609 nan 8.360 nan 0.000 0.477 111 E N -0.236 119.827 120.200 -0.228 0.000 2.478 111 E HA 0.036 4.386 4.350 0.001 0.000 0.194 111 E C -0.257 176.221 176.600 -0.204 0.000 1.045 111 E CA -0.099 56.202 56.400 -0.166 0.000 0.868 111 E CB 0.601 30.245 29.700 -0.093 0.000 0.885 111 E HN 0.003 nan 8.360 nan 0.000 0.505 112 V N 2.536 122.247 119.914 -0.338 0.000 2.555 112 V HA -0.006 4.115 4.120 0.001 0.000 0.286 112 V C 0.063 175.992 176.094 -0.275 0.000 1.044 112 V CA -0.414 61.708 62.300 -0.296 0.000 1.026 112 V CB 0.789 32.383 31.823 -0.381 0.000 0.981 112 V HN 0.164 nan 8.190 nan 0.000 0.480 113 L N 7.433 128.572 121.223 -0.139 0.000 2.433 113 L HA 0.338 4.678 4.340 0.001 0.000 0.275 113 L C -0.440 176.381 176.870 -0.081 0.000 1.128 113 L CA 0.716 55.514 54.840 -0.071 0.000 0.875 113 L CB -0.078 42.001 42.059 0.032 0.000 1.171 113 L HN 0.504 nan 8.230 nan 0.000 0.463 114 L N 6.684 127.829 121.223 -0.131 0.000 2.287 114 L HA 0.443 4.784 4.340 0.001 0.000 0.287 114 L C -0.221 176.608 176.870 -0.070 0.000 1.022 114 L CA -0.518 54.221 54.840 -0.168 0.000 0.814 114 L CB 1.350 43.290 42.059 -0.198 0.000 1.217 114 L HN 0.618 nan 8.230 nan 0.000 0.420 115 L N 4.758 125.953 121.223 -0.046 0.000 2.416 115 L HA 0.475 4.816 4.340 0.001 0.000 0.262 115 L C -2.000 174.877 176.870 0.012 0.000 1.093 115 L CA -1.886 52.935 54.840 -0.030 0.000 0.801 115 L CB 1.096 43.116 42.059 -0.065 0.000 1.191 115 L HN 0.366 nan 8.230 nan 0.000 0.459 116 P HA 0.167 nan 4.420 nan 0.000 0.282 116 P C -0.527 176.835 177.300 0.103 0.000 1.274 116 P CA 0.055 63.199 63.100 0.072 0.000 0.770 116 P CB 1.290 33.020 31.700 0.051 0.000 0.867 117 G N 1.922 110.820 108.800 0.164 0.000 3.259 117 G HA2 0.427 4.387 3.960 0.001 0.000 0.178 117 G HA3 0.427 4.387 3.960 0.001 0.000 0.178 117 G C 0.513 175.546 174.900 0.221 0.000 1.129 117 G CA -0.072 45.153 45.100 0.208 0.000 0.816 117 G HN 0.384 nan 8.290 nan 0.000 0.634 118 T N -1.524 113.191 114.554 0.270 0.000 3.040 118 T HA 0.422 4.772 4.350 0.001 0.000 0.250 118 T C 0.588 175.403 174.700 0.192 0.000 1.058 118 T CA -0.045 62.184 62.100 0.216 0.000 0.988 118 T CB -0.205 68.785 68.868 0.204 0.000 0.993 118 T HN 0.122 nan 8.240 nan 0.000 0.519 119 L N 1.932 123.292 121.223 0.228 0.000 2.329 119 L HA 0.584 4.924 4.340 0.001 0.000 0.279 119 L C 0.277 177.224 176.870 0.128 0.000 1.014 119 L CA -1.317 53.554 54.840 0.052 0.000 0.814 119 L CB 1.965 43.839 42.059 -0.309 0.000 1.257 119 L HN 0.022 nan 8.230 nan 0.000 0.424 120 R N 1.138 121.667 120.500 0.049 0.000 2.738 120 R HA 0.015 4.355 4.340 0.001 0.000 0.268 120 R C 1.063 177.476 176.300 0.189 0.000 1.062 120 R CA -0.426 55.744 56.100 0.117 0.000 1.158 120 R CB 0.729 31.066 30.300 0.061 0.000 1.046 120 R HN 0.612 nan 8.270 nan 0.000 0.493 121 E N 1.919 122.288 120.200 0.280 0.000 2.130 121 E HA -0.246 4.105 4.350 0.001 0.000 0.196 121 E C 1.355 178.121 176.600 0.276 0.000 0.998 121 E CA 1.622 58.258 56.400 0.394 0.000 0.806 121 E CB 0.248 30.127 29.700 0.299 0.000 0.738 121 E HN 0.573 nan 8.360 nan 0.000 0.459 122 E N 0.041 120.312 120.200 0.118 0.000 2.204 122 E HA -0.107 4.243 4.350 0.001 0.000 0.194 122 E C 2.181 178.751 176.600 -0.050 0.000 0.989 122 E CA 0.708 57.122 56.400 0.023 0.000 0.824 122 E CB -0.294 29.410 29.700 0.005 0.000 0.756 122 E HN 0.166 nan 8.360 nan 0.000 0.477 123 V N 0.345 120.201 119.914 -0.097 0.000 2.379 123 V HA -0.181 3.940 4.120 0.001 0.000 0.245 123 V C 2.059 177.999 176.094 -0.257 0.000 1.044 123 V CA 1.806 63.965 62.300 -0.236 0.000 1.036 123 V CB -0.878 30.721 31.823 -0.373 0.000 0.664 123 V HN 0.259 nan 8.190 nan 0.000 0.453 124 W N 0.290 121.613 121.300 0.038 0.000 2.363 124 W HA -0.146 4.515 4.660 0.001 0.000 0.296 124 W C 2.736 179.211 176.519 -0.075 0.000 1.212 124 W CA 1.541 58.950 57.345 0.107 0.000 1.260 124 W CB -0.302 29.335 29.460 0.296 0.000 1.131 124 W HN 0.058 nan 8.180 nan 0.000 0.530 125 R N 0.776 121.147 120.500 -0.216 0.000 2.073 125 R HA -0.205 4.136 4.340 0.001 0.000 0.234 125 R C 2.071 178.156 176.300 -0.358 0.000 1.134 125 R CA 1.892 57.453 56.100 -0.898 0.000 0.952 125 R CB -0.528 29.326 30.300 -0.742 0.000 0.850 125 R HN 0.257 nan 8.270 nan 0.000 0.433 126 Q N -0.408 119.282 119.800 -0.183 0.000 2.124 126 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 126 Q C 2.104 178.073 176.000 -0.052 0.000 0.977 126 Q CA 1.640 57.380 55.803 -0.105 0.000 0.850 126 Q CB -0.091 28.591 28.738 -0.094 0.000 0.901 126 Q HN 0.463 nan 8.270 nan 0.000 0.429 127 A N 0.067 122.871 122.820 -0.026 0.000 1.877 127 A HA -0.234 4.086 4.320 0.001 0.000 0.216 127 A C 1.854 179.492 177.584 0.089 0.000 1.186 127 A CA 1.398 53.453 52.037 0.030 0.000 0.620 127 A CB -0.918 18.134 19.000 0.087 0.000 0.822 127 A HN 0.537 nan 8.150 nan 0.000 0.443 128 Y N 0.656 120.964 120.300 0.013 0.000 2.181 128 Y HA -0.170 4.381 4.550 0.001 0.000 0.288 128 Y C 2.191 178.088 175.900 -0.006 0.000 1.146 128 Y CA 2.178 60.306 58.100 0.046 0.000 1.164 128 Y CB -0.043 38.486 38.460 0.116 0.000 0.982 128 Y HN 0.445 nan 8.280 nan 0.000 0.515 129 E N 0.610 120.891 120.200 0.134 0.000 2.427 129 E HA 0.075 4.425 4.350 0.001 0.000 0.196 129 E C 0.806 177.406 176.600 0.001 0.000 1.028 129 E CA 0.130 56.573 56.400 0.072 0.000 0.864 129 E CB -0.091 29.627 29.700 0.029 0.000 0.813 129 E HN 0.415 nan 8.360 nan 0.000 0.514 130 A N 1.463 124.272 122.820 -0.018 0.000 2.555 130 A HA -0.111 4.210 4.320 0.001 0.000 0.233 130 A C 1.241 178.804 177.584 -0.036 0.000 1.060 130 A CA -0.017 52.003 52.037 -0.028 0.000 0.759 130 A CB 0.420 19.403 19.000 -0.028 0.000 0.995 130 A HN 0.048 nan 8.150 nan 0.000 0.506 131 Q N 0.445 120.229 119.800 -0.027 0.000 2.167 131 Q HA -0.066 4.274 4.340 0.001 0.000 0.202 131 Q C -0.193 175.788 176.000 -0.031 0.000 0.970 131 Q CA 1.935 57.724 55.803 -0.024 0.000 0.855 131 Q CB -0.220 28.509 28.738 -0.016 0.000 0.911 131 Q HN 1.005 nan 8.270 nan 0.000 0.438 132 D N -3.786 116.596 120.400 -0.030 0.000 2.665 132 D HA 0.175 4.815 4.640 0.001 0.000 0.287 132 D C -2.429 173.856 176.300 -0.026 0.000 1.266 132 D CA -1.595 52.388 54.000 -0.028 0.000 0.830 132 D CB 0.267 41.057 40.800 -0.017 0.000 1.356 132 D HN -0.348 nan 8.370 nan 0.000 0.437 133 P HA -0.063 nan 4.420 nan 0.000 0.218 133 P C 1.242 178.538 177.300 -0.006 0.000 1.148 133 P CA 2.283 65.377 63.100 -0.011 0.000 0.822 133 P CB -0.064 31.634 31.700 -0.003 0.000 0.784 134 A N 0.111 122.927 122.820 -0.006 0.000 1.883 134 A HA -0.120 4.200 4.320 0.001 0.000 0.217 134 A C 2.536 180.115 177.584 -0.009 0.000 1.186 134 A CA 2.192 54.226 52.037 -0.005 0.000 0.624 134 A CB -1.921 17.076 19.000 -0.005 0.000 0.822 134 A HN 0.277 nan 8.150 nan 0.000 0.444 135 G N -0.753 108.039 108.800 -0.014 0.000 2.440 135 G HA2 -0.292 3.669 3.960 0.001 0.000 0.218 135 G HA3 -0.292 3.669 3.960 0.001 0.000 0.218 135 G C 1.665 176.553 174.900 -0.021 0.000 1.154 135 G CA 1.335 46.424 45.100 -0.018 0.000 0.767 135 G HN 0.519 nan 8.290 nan 0.000 0.552 136 M N 0.801 120.390 119.600 -0.018 0.000 2.080 136 M HA -0.004 4.476 4.480 0.001 0.000 0.260 136 M C 2.797 179.089 176.300 -0.015 0.000 1.068 136 M CA 1.931 57.223 55.300 -0.013 0.000 1.109 136 M CB -0.141 32.458 32.600 -0.002 0.000 1.342 136 M HN 0.275 nan 8.290 nan 0.000 0.405 137 A N -0.120 122.696 122.820 -0.006 0.000 1.933 137 A HA -0.220 4.100 4.320 0.001 0.000 0.218 137 A C 1.900 179.476 177.584 -0.014 0.000 1.175 137 A CA 1.781 53.817 52.037 -0.003 0.000 0.628 137 A CB -0.758 18.248 19.000 0.009 0.000 0.814 137 A HN 0.735 nan 8.150 nan 0.000 0.444 138 Q N -0.605 119.185 119.800 -0.017 0.000 2.119 138 Q HA -0.097 4.244 4.340 0.001 0.000 0.201 138 Q C 2.128 178.106 176.000 -0.037 0.000 0.972 138 Q CA 1.455 57.246 55.803 -0.021 0.000 0.847 138 Q CB -0.335 28.393 28.738 -0.018 0.000 0.903 138 Q HN 0.484 nan 8.270 nan 0.000 0.433 139 V N 1.312 121.196 119.914 -0.050 0.000 2.287 139 V HA -0.282 3.838 4.120 0.001 0.000 0.248 139 V C 2.144 178.171 176.094 -0.112 0.000 1.053 139 V CA 1.677 63.930 62.300 -0.080 0.000 1.027 139 V CB -0.467 31.301 31.823 -0.090 0.000 0.646 139 V HN 0.373 nan 8.190 nan 0.000 0.447 140 L N -0.241 120.914 121.223 -0.113 0.000 2.217 140 L HA -0.066 4.274 4.340 0.001 0.000 0.211 140 L C 2.583 179.427 176.870 -0.044 0.000 1.107 140 L CA 1.251 56.008 54.840 -0.139 0.000 0.783 140 L CB -0.691 41.293 42.059 -0.125 0.000 0.919 140 L HN 0.359 nan 8.230 nan 0.000 0.442 141 A N 0.104 122.911 122.820 -0.021 0.000 2.016 141 A HA -0.088 4.232 4.320 0.001 0.000 0.217 141 A C 2.361 179.941 177.584 -0.006 0.000 1.162 141 A CA 1.215 53.255 52.037 0.004 0.000 0.662 141 A CB -0.657 18.345 19.000 0.003 0.000 0.812 141 A HN 0.284 nan 8.150 nan 0.000 0.450 142 V N -1.075 118.824 119.914 -0.024 0.000 2.252 142 V HA -0.138 3.983 4.120 0.001 0.000 0.249 142 V C -0.081 176.003 176.094 -0.017 0.000 1.056 142 V CA 2.039 64.324 62.300 -0.024 0.000 1.022 142 V CB -2.351 29.451 31.823 -0.034 0.000 0.641 142 V HN 0.509 nan 8.190 nan 0.000 0.445 143 P HA 0.229 nan 4.420 nan 0.000 0.253 143 P C 1.036 178.346 177.300 0.016 0.000 1.281 143 P CA 0.995 64.093 63.100 -0.004 0.000 0.792 143 P CB -0.388 31.305 31.700 -0.011 0.000 1.193 144 G N 0.774 109.585 108.800 0.019 0.000 2.295 144 G HA2 -0.260 3.700 3.960 0.001 0.000 0.287 144 G HA3 -0.260 3.700 3.960 0.001 0.000 0.287 144 G C 0.020 174.940 174.900 0.033 0.000 1.055 144 G CA -0.160 44.952 45.100 0.019 0.000 0.922 144 G HN 0.608 nan 8.290 nan 0.000 0.503 145 H N 0.913 119.970 119.070 -0.020 0.000 2.646 145 H HA 0.254 4.810 4.556 0.000 0.000 0.325 145 H C -0.663 174.677 175.328 0.020 0.000 1.075 145 H CA -1.072 54.976 56.048 -0.001 0.000 1.421 145 H CB 1.611 31.357 29.762 -0.027 0.000 1.461 145 H HN 0.121 nan 8.280 nan 0.000 0.525 146 P HA -0.148 nan 4.420 nan 0.000 0.218 146 P C 1.707 179.145 177.300 0.229 0.000 1.146 146 P CA 0.792 63.936 63.100 0.073 0.000 0.813 146 P CB 0.384 32.072 31.700 -0.021 0.000 0.778 147 L N -0.982 120.537 121.223 0.493 0.000 2.275 147 L HA -0.083 4.257 4.340 0.001 0.000 0.215 147 L C 2.629 179.599 176.870 0.167 0.000 1.119 147 L CA 0.943 55.966 54.840 0.305 0.000 0.790 147 L CB -0.842 41.359 42.059 0.237 0.000 0.919 147 L HN -0.046 nan 8.230 nan 0.000 0.443 148 A N 0.228 123.136 122.820 0.147 0.000 1.883 148 A HA -0.226 4.094 4.320 0.001 0.000 0.217 148 A C 2.396 180.019 177.584 0.065 0.000 1.186 148 A CA 1.517 53.599 52.037 0.075 0.000 0.624 148 A CB -0.441 18.592 19.000 0.055 0.000 0.822 148 A HN 0.300 nan 8.150 nan 0.000 0.444 149 R N -0.823 119.718 120.500 0.068 0.000 2.092 149 R HA -0.053 4.287 4.340 0.001 0.000 0.231 149 R C 2.476 178.809 176.300 0.054 0.000 1.119 149 R CA 1.062 57.191 56.100 0.049 0.000 0.970 149 R CB -0.394 29.929 30.300 0.039 0.000 0.864 149 R HN 0.539 nan 8.270 nan 0.000 0.440 150 A N 1.157 124.023 122.820 0.078 0.000 1.877 150 A HA -0.164 4.156 4.320 0.001 0.000 0.216 150 A C 2.048 179.675 177.584 0.072 0.000 1.186 150 A CA 1.021 53.107 52.037 0.082 0.000 0.620 150 A CB -0.480 18.593 19.000 0.122 0.000 0.822 150 A HN 0.238 nan 8.150 nan 0.000 0.443 151 L N -0.100 121.167 121.223 0.074 0.000 2.046 151 L HA -0.146 4.195 4.340 0.001 0.000 0.208 151 L C 2.467 179.363 176.870 0.044 0.000 1.077 151 L CA 1.787 56.663 54.840 0.061 0.000 0.747 151 L CB -0.515 41.579 42.059 0.059 0.000 0.896 151 L HN 0.280 nan 8.230 nan 0.000 0.432 152 R N -0.196 120.327 120.500 0.038 0.000 2.091 152 R HA -0.120 4.220 4.340 0.001 0.000 0.238 152 R C 2.186 178.501 176.300 0.025 0.000 1.136 152 R CA 1.408 57.524 56.100 0.027 0.000 0.959 152 R CB -1.100 29.214 30.300 0.022 0.000 0.856 152 R HN 0.539 nan 8.270 nan 0.000 0.437 153 A N 0.762 123.599 122.820 0.027 0.000 1.902 153 A HA -0.105 4.215 4.320 0.001 0.000 0.217 153 A C 2.480 180.075 177.584 0.019 0.000 1.181 153 A CA 1.500 53.549 52.037 0.021 0.000 0.623 153 A CB -0.506 18.506 19.000 0.020 0.000 0.818 153 A HN 0.116 nan 8.150 nan 0.000 0.443 154 V N -0.110 119.822 119.914 0.029 0.000 2.379 154 V HA -0.187 3.933 4.120 0.001 0.000 0.245 154 V C 2.496 178.609 176.094 0.032 0.000 1.044 154 V CA 1.716 64.034 62.300 0.030 0.000 1.036 154 V CB -0.621 31.230 31.823 0.047 0.000 0.664 154 V HN 0.555 nan 8.190 nan 0.000 0.453 155 L N -0.670 120.572 121.223 0.032 0.000 2.201 155 L HA -0.107 4.233 4.340 0.001 0.000 0.212 155 L C 2.704 179.589 176.870 0.024 0.000 1.105 155 L CA 1.212 56.069 54.840 0.030 0.000 0.775 155 L CB -0.522 41.553 42.059 0.026 0.000 0.913 155 L HN 0.229 nan 8.230 nan 0.000 0.440 156 R N -0.168 120.344 120.500 0.020 0.000 2.159 156 R HA -0.153 4.187 4.340 0.001 0.000 0.237 156 R C 1.942 178.252 176.300 0.016 0.000 1.131 156 R CA 1.071 57.180 56.100 0.015 0.000 0.982 156 R CB -0.039 30.268 30.300 0.011 0.000 0.868 156 R HN 0.410 nan 8.270 nan 0.000 0.453 157 E N -0.885 119.326 120.200 0.017 0.000 2.216 157 E HA 0.020 4.370 4.350 0.001 0.000 0.192 157 E C 0.671 177.292 176.600 0.034 0.000 0.973 157 E CA 0.611 57.020 56.400 0.017 0.000 0.851 157 E CB 0.635 30.334 29.700 -0.002 0.000 0.804 157 E HN 0.042 nan 8.360 nan 0.000 0.477 158 T N -0.639 113.942 114.554 0.044 0.000 2.886 158 T HA 0.270 4.620 4.350 0.001 0.000 0.330 158 T C -1.132 173.601 174.700 0.055 0.000 1.488 158 T CA -0.456 61.681 62.100 0.062 0.000 1.054 158 T CB 1.350 70.279 68.868 0.102 0.000 1.348 158 T HN -0.261 nan 8.240 nan 0.000 0.489 159 Q N 1.262 121.093 119.800 0.050 0.000 2.171 159 Q HA 0.295 4.636 4.340 0.001 0.000 0.218 159 Q C -0.446 175.581 176.000 0.045 0.000 0.822 159 Q CA -0.253 55.575 55.803 0.042 0.000 0.987 159 Q CB 0.653 29.408 28.738 0.029 0.000 1.144 159 Q HN 0.720 nan 8.270 nan 0.000 0.494 160 D N -0.233 120.201 120.400 0.058 0.000 2.351 160 D HA 0.028 4.668 4.640 0.001 0.000 0.251 160 D C 0.921 177.257 176.300 0.060 0.000 1.137 160 D CA -0.307 53.725 54.000 0.053 0.000 0.879 160 D CB 0.872 41.706 40.800 0.057 0.000 1.181 160 D HN -0.016 nan 8.370 nan 0.000 0.448 161 L N 4.967 126.218 121.223 0.046 0.000 2.013 161 L HA -0.121 4.219 4.340 0.001 0.000 0.212 161 L C 1.976 178.884 176.870 0.063 0.000 1.073 161 L CA 2.572 57.441 54.840 0.048 0.000 0.753 161 L CB -0.915 41.165 42.059 0.035 0.000 0.890 161 L HN 0.652 nan 8.230 nan 0.000 0.432 162 A N -0.726 122.129 122.820 0.058 0.000 1.929 162 A HA -0.152 4.169 4.320 0.001 0.000 0.216 162 A C 2.390 180.036 177.584 0.103 0.000 1.176 162 A CA 1.513 53.589 52.037 0.064 0.000 0.628 162 A CB -0.481 18.539 19.000 0.033 0.000 0.816 162 A HN 0.523 nan 8.150 nan 0.000 0.444 163 R N -0.684 119.893 120.500 0.128 0.000 2.090 163 R HA -0.032 4.308 4.340 0.001 0.000 0.228 163 R C 1.987 178.443 176.300 0.260 0.000 1.110 163 R CA 1.226 57.490 56.100 0.274 0.000 0.973 163 R CB -0.488 29.991 30.300 0.299 0.000 0.869 163 R HN 0.373 nan 8.270 nan 0.000 0.440 164 V N 1.475 121.484 119.914 0.158 0.000 2.295 164 V HA -0.250 3.870 4.120 0.001 0.000 0.246 164 V C 2.081 178.249 176.094 0.123 0.000 1.049 164 V CA 1.841 64.214 62.300 0.121 0.000 1.024 164 V CB -0.418 31.453 31.823 0.082 0.000 0.648 164 V HN 0.345 nan 8.190 nan 0.000 0.447 165 E N 0.036 120.304 120.200 0.114 0.000 2.058 165 E HA -0.237 4.114 4.350 0.001 0.000 0.194 165 E C 2.326 179.013 176.600 0.146 0.000 0.997 165 E CA 1.407 57.870 56.400 0.105 0.000 0.801 165 E CB -0.327 29.425 29.700 0.087 0.000 0.746 165 E HN 0.606 nan 8.360 nan 0.000 0.450 166 A N 1.001 123.939 122.820 0.197 0.000 1.877 166 A HA -0.151 4.169 4.320 0.001 0.000 0.216 166 A C 2.171 179.907 177.584 0.254 0.000 1.186 166 A CA 1.105 53.301 52.037 0.265 0.000 0.620 166 A CB -0.568 18.661 19.000 0.383 0.000 0.822 166 A HN 0.133 nan 8.150 nan 0.000 0.443 167 L N -1.202 120.153 121.223 0.220 0.000 2.156 167 L HA -0.077 4.263 4.340 0.001 0.000 0.208 167 L C 2.427 179.361 176.870 0.107 0.000 1.095 167 L CA 0.364 55.267 54.840 0.105 0.000 0.770 167 L CB -0.404 41.665 42.059 0.018 0.000 0.914 167 L HN 0.341 nan 8.230 nan 0.000 0.439 168 L N 0.304 121.599 121.223 0.120 0.000 2.056 168 L HA -0.119 4.221 4.340 0.001 0.000 0.207 168 L C 2.683 179.650 176.870 0.162 0.000 1.078 168 L CA 1.957 56.868 54.840 0.120 0.000 0.749 168 L CB -0.818 41.299 42.059 0.095 0.000 0.901 168 L HN 0.162 nan 8.230 nan 0.000 0.433 169 A N -0.684 122.247 122.820 0.185 0.000 1.902 169 A HA -0.287 4.034 4.320 0.001 0.000 0.217 169 A C 2.447 180.274 177.584 0.406 0.000 1.181 169 A CA 2.037 54.249 52.037 0.292 0.000 0.623 169 A CB -0.601 18.595 19.000 0.325 0.000 0.818 169 A HN 0.474 nan 8.150 nan 0.000 0.443 170 K N -0.662 119.898 120.400 0.266 0.000 2.057 170 K HA -0.230 4.091 4.320 0.001 0.000 0.207 170 K C 2.270 178.975 176.600 0.174 0.000 1.049 170 K CA 1.762 58.168 56.287 0.199 0.000 0.931 170 K CB -0.144 32.405 32.500 0.081 0.000 0.714 170 K HN 0.295 nan 8.250 nan 0.000 0.440 171 R N 0.319 120.904 120.500 0.141 0.000 2.090 171 R HA -0.102 4.238 4.340 0.001 0.000 0.228 171 R C 1.987 178.348 176.300 0.102 0.000 1.110 171 R CA 1.472 57.629 56.100 0.095 0.000 0.973 171 R CB -0.962 29.387 30.300 0.081 0.000 0.869 171 R HN 0.322 nan 8.270 nan 0.000 0.440 172 F N 0.105 120.049 119.950 -0.010 0.000 2.069 172 F HA -0.143 4.384 4.527 0.000 0.000 0.298 172 F C 1.497 177.202 175.800 -0.158 0.000 1.113 172 F CA 1.747 59.677 58.000 -0.117 0.000 1.214 172 F CB -0.487 38.367 39.000 -0.243 0.000 0.978 172 F HN 0.028 nan 8.300 nan 0.000 0.474 173 F N 1.058 121.062 119.950 0.089 0.000 2.269 173 F HA -0.123 4.404 4.527 0.000 0.000 0.301 173 F C 2.338 178.056 175.800 -0.136 0.000 1.082 173 F CA 1.621 59.587 58.000 -0.057 0.000 1.360 173 F CB -0.815 38.228 39.000 0.072 0.000 1.041 173 F HN 0.100 nan 8.300 nan 0.000 0.512 174 E N -0.115 120.118 120.200 0.055 0.000 2.106 174 E HA -0.176 4.174 4.350 0.001 0.000 0.192 174 E C 1.612 178.167 176.600 -0.076 0.000 0.984 174 E CA 1.247 57.644 56.400 -0.005 0.000 0.806 174 E CB -0.134 29.568 29.700 0.003 0.000 0.750 174 E HN 0.310 nan 8.360 nan 0.000 0.458 175 D N 0.077 120.387 120.400 -0.150 0.000 2.183 175 D HA -0.093 4.547 4.640 0.001 0.000 0.203 175 D C 1.979 178.125 176.300 -0.255 0.000 0.969 175 D CA 0.521 54.408 54.000 -0.188 0.000 0.842 175 D CB -0.065 40.616 40.800 -0.200 0.000 0.957 175 D HN -0.010 nan 8.370 nan 0.000 0.484 176 V N 1.336 121.002 119.914 -0.412 0.000 2.270 176 V HA -0.230 3.890 4.120 0.001 0.000 0.245 176 V C 2.497 178.515 176.094 -0.126 0.000 1.043 176 V CA 1.661 63.753 62.300 -0.348 0.000 1.014 176 V CB -0.854 30.660 31.823 -0.515 0.000 0.645 176 V HN 0.182 nan 8.190 nan 0.000 0.447 177 A N 0.123 122.909 122.820 -0.058 0.000 1.893 177 A HA -0.416 3.904 4.320 0.001 0.000 0.222 177 A C 2.189 179.757 177.584 -0.027 0.000 1.309 177 A CA 2.957 54.986 52.037 -0.014 0.000 0.681 177 A CB -0.839 18.160 19.000 -0.002 0.000 0.842 177 A HN 0.575 nan 8.150 nan 0.000 0.468 178 K N -0.929 119.446 120.400 -0.043 0.000 2.032 178 K HA -0.245 4.076 4.320 0.001 0.000 0.218 178 K C 2.395 178.976 176.600 -0.031 0.000 1.054 178 K CA 1.622 57.888 56.287 -0.036 0.000 0.941 178 K CB -0.582 31.892 32.500 -0.043 0.000 0.720 178 K HN 0.544 nan 8.250 nan 0.000 0.449 179 A N 1.490 124.283 122.820 -0.046 0.000 1.892 179 A HA -0.203 4.117 4.320 0.001 0.000 0.218 179 A C 2.437 180.017 177.584 -0.007 0.000 1.188 179 A CA 2.300 54.318 52.037 -0.032 0.000 0.631 179 A CB -0.855 18.114 19.000 -0.052 0.000 0.822 179 A HN 0.425 nan 8.150 nan 0.000 0.447 180 A N -0.507 122.311 122.820 -0.003 0.000 1.877 180 A HA -0.166 4.154 4.320 0.001 0.000 0.216 180 A C 2.093 179.691 177.584 0.024 0.000 1.186 180 A CA 1.923 53.975 52.037 0.024 0.000 0.620 180 A CB -0.507 18.517 19.000 0.039 0.000 0.822 180 A HN 0.541 nan 8.150 nan 0.000 0.443 181 K N -0.734 119.674 120.400 0.013 0.000 2.089 181 K HA -0.173 4.147 4.320 0.001 0.000 0.210 181 K C 2.045 178.654 176.600 0.014 0.000 1.048 181 K CA 1.277 57.571 56.287 0.012 0.000 0.926 181 K CB -0.609 31.893 32.500 0.004 0.000 0.714 181 K HN 0.502 nan 8.250 nan 0.000 0.448 182 G N 1.560 110.367 108.800 0.011 0.000 2.503 182 G HA2 -0.206 3.755 3.960 0.001 0.000 0.221 182 G HA3 -0.206 3.755 3.960 0.001 0.000 0.221 182 G C 0.656 175.571 174.900 0.025 0.000 1.131 182 G CA 0.828 45.937 45.100 0.014 0.000 0.756 182 G HN 0.098 nan 8.290 nan 0.000 0.572 183 L N -0.218 121.025 121.223 0.035 0.000 2.421 183 L HA 0.403 4.743 4.340 0.001 0.000 0.263 183 L C -0.342 176.556 176.870 0.048 0.000 1.122 183 L CA -0.696 54.175 54.840 0.051 0.000 0.804 183 L CB 1.083 43.185 42.059 0.071 0.000 1.150 183 L HN -0.101 nan 8.230 nan 0.000 0.457 184 D N 1.302 121.736 120.400 0.056 0.000 2.456 184 D HA 0.151 4.791 4.640 0.001 0.000 0.287 184 D C -0.960 175.367 176.300 0.045 0.000 1.186 184 D CA -0.270 53.757 54.000 0.044 0.000 0.916 184 D CB 0.511 41.334 40.800 0.039 0.000 1.029 184 D HN 0.299 nan 8.370 nan 0.000 0.498 185 Q N 2.722 122.546 119.800 0.039 0.000 2.558 185 Q HA 0.266 4.607 4.340 0.001 0.000 0.252 185 Q C -1.982 174.024 176.000 0.010 0.000 1.015 185 Q CA -1.739 54.073 55.803 0.015 0.000 0.720 185 Q CB 1.957 30.703 28.738 0.014 0.000 1.215 185 Q HN 0.189 nan 8.270 nan 0.000 0.500 186 P HA -0.198 nan 4.420 nan 0.000 0.216 186 P C 1.114 178.422 177.300 0.014 0.000 1.153 186 P CA 1.774 64.879 63.100 0.008 0.000 0.858 186 P CB 0.367 32.068 31.700 0.001 0.000 0.789 187 A N -0.937 121.879 122.820 -0.007 0.000 1.930 187 A HA -0.164 4.157 4.320 0.001 0.000 0.217 187 A C 2.131 179.746 177.584 0.052 0.000 1.175 187 A CA 1.309 53.351 52.037 0.008 0.000 0.627 187 A CB -1.597 17.376 19.000 -0.045 0.000 0.815 187 A HN 0.143 nan 8.150 nan 0.000 0.443 188 L N -0.044 121.203 121.223 0.041 0.000 2.046 188 L HA -0.126 4.214 4.340 0.001 0.000 0.208 188 L C 2.469 179.417 176.870 0.131 0.000 1.077 188 L CA 1.806 56.704 54.840 0.098 0.000 0.747 188 L CB -0.571 41.536 42.059 0.080 0.000 0.896 188 L HN 0.331 nan 8.230 nan 0.000 0.432 189 R N -0.555 119.994 120.500 0.082 0.000 2.091 189 R HA -0.204 4.136 4.340 0.001 0.000 0.238 189 R C 1.991 178.332 176.300 0.069 0.000 1.136 189 R CA 1.778 57.917 56.100 0.064 0.000 0.959 189 R CB -0.609 29.713 30.300 0.036 0.000 0.856 189 R HN 0.420 nan 8.270 nan 0.000 0.437 190 D N -0.478 119.970 120.400 0.080 0.000 2.097 190 D HA -0.164 4.477 4.640 0.001 0.000 0.197 190 D C 1.633 178.001 176.300 0.114 0.000 0.984 190 D CA 1.008 55.056 54.000 0.081 0.000 0.826 190 D CB -0.118 40.735 40.800 0.088 0.000 0.973 190 D HN 0.161 nan 8.370 nan 0.000 0.460 191 Y N 0.271 120.592 120.300 0.035 0.000 2.263 191 Y HA -0.077 4.473 4.550 0.001 0.000 0.292 191 Y C 1.815 177.754 175.900 0.065 0.000 1.130 191 Y CA 0.928 59.056 58.100 0.046 0.000 1.179 191 Y CB -0.169 38.319 38.460 0.048 0.000 0.998 191 Y HN -0.083 nan 8.280 nan 0.000 0.532 192 L N 0.281 121.606 121.223 0.169 0.000 2.083 192 L HA -0.167 4.173 4.340 0.001 0.000 0.209 192 L C 2.699 179.539 176.870 -0.050 0.000 1.083 192 L CA 1.854 56.754 54.840 0.100 0.000 0.752 192 L CB -1.561 40.603 42.059 0.175 0.000 0.899 192 L HN 0.302 nan 8.230 nan 0.000 0.433 193 A N -0.853 121.948 122.820 -0.032 0.000 1.902 193 A HA -0.156 4.165 4.320 0.001 0.000 0.217 193 A C 2.348 179.905 177.584 -0.045 0.000 1.181 193 A CA 1.523 53.524 52.037 -0.060 0.000 0.623 193 A CB -0.700 18.270 19.000 -0.050 0.000 0.818 193 A HN 0.369 nan 8.150 nan 0.000 0.443 194 L N -0.897 120.304 121.223 -0.036 0.000 2.156 194 L HA -0.112 4.229 4.340 0.001 0.000 0.208 194 L C 2.620 179.464 176.870 -0.043 0.000 1.095 194 L CA 1.019 55.888 54.840 0.049 0.000 0.770 194 L CB -0.400 41.619 42.059 -0.067 0.000 0.914 194 L HN 0.491 nan 8.230 nan 0.000 0.439 195 E N -0.364 119.674 120.200 -0.270 0.000 2.072 195 E HA -0.182 4.169 4.350 0.001 0.000 0.191 195 E C 2.239 178.611 176.600 -0.379 0.000 0.985 195 E CA 1.184 57.401 56.400 -0.305 0.000 0.801 195 E CB 0.001 29.530 29.700 -0.285 0.000 0.750 195 E HN 0.279 nan 8.360 nan 0.000 0.452 196 V N 2.221 121.862 119.914 -0.455 0.000 2.255 196 V HA -0.273 3.847 4.120 0.001 0.000 0.247 196 V C 1.904 177.804 176.094 -0.324 0.000 1.051 196 V CA 2.086 64.079 62.300 -0.511 0.000 1.018 196 V CB -0.494 31.084 31.823 -0.408 0.000 0.641 196 V HN 0.166 nan 8.190 nan 0.000 0.445 197 D N 0.243 120.543 120.400 -0.167 0.000 2.104 197 D HA -0.171 4.469 4.640 0.001 0.000 0.194 197 D C 2.234 178.392 176.300 -0.236 0.000 0.994 197 D CA 1.787 55.696 54.000 -0.152 0.000 0.830 197 D CB -0.460 40.339 40.800 -0.002 0.000 0.959 197 D HN 0.443 nan 8.370 nan 0.000 0.452 198 A N 0.842 123.596 122.820 -0.109 0.000 1.865 198 A HA -0.253 4.068 4.320 0.001 0.000 0.217 198 A C 2.181 179.717 177.584 -0.080 0.000 1.191 198 A CA 2.132 54.128 52.037 -0.068 0.000 0.623 198 A CB -0.701 18.338 19.000 0.065 0.000 0.826 198 A HN 0.169 nan 8.150 nan 0.000 0.444 199 E N 0.334 120.462 120.200 -0.120 0.000 2.118 199 E HA -0.172 4.178 4.350 0.001 0.000 0.195 199 E C 1.867 178.459 176.600 -0.013 0.000 0.992 199 E CA 1.568 57.931 56.400 -0.060 0.000 0.804 199 E CB -0.206 29.424 29.700 -0.115 0.000 0.741 199 E HN 0.590 nan 8.360 nan 0.000 0.458 200 N N -0.119 118.528 118.700 -0.088 0.000 2.106 200 N HA -0.117 4.623 4.740 0.001 0.000 0.188 200 N C 1.877 177.555 175.510 0.280 0.000 1.029 200 N CA 1.057 54.125 53.050 0.031 0.000 0.848 200 N CB -0.302 38.069 38.487 -0.192 0.000 1.007 200 N HN 0.229 nan 8.380 nan 0.000 0.423 201 L N 0.881 122.161 121.223 0.094 0.000 2.012 201 L HA -0.158 4.182 4.340 0.001 0.000 0.210 201 L C 2.679 179.630 176.870 0.135 0.000 1.073 201 L CA 1.191 56.082 54.840 0.085 0.000 0.748 201 L CB -0.389 41.619 42.059 -0.085 0.000 0.891 201 L HN 0.193 nan 8.230 nan 0.000 0.431 202 R N -0.281 120.275 120.500 0.093 0.000 2.080 202 R HA -0.171 4.170 4.340 0.001 0.000 0.236 202 R C 2.272 178.676 176.300 0.174 0.000 1.137 202 R CA 2.206 58.368 56.100 0.104 0.000 0.943 202 R CB -0.394 29.947 30.300 0.069 0.000 0.846 202 R HN 0.232 nan 8.270 nan 0.000 0.431 203 T N 0.790 115.469 114.554 0.207 0.000 2.622 203 T HA -0.159 4.191 4.350 0.001 0.000 0.266 203 T C 1.838 176.626 174.700 0.146 0.000 1.047 203 T CA 1.663 63.903 62.100 0.233 0.000 1.159 203 T CB -0.459 68.624 68.868 0.359 0.000 0.863 203 T HN 0.516 nan 8.240 nan 0.000 0.422 204 A N 0.712 123.619 122.820 0.145 0.000 1.917 204 A HA -0.103 4.218 4.320 0.001 0.000 0.219 204 A C 2.062 179.547 177.584 -0.165 0.000 1.182 204 A CA 1.672 53.535 52.037 -0.290 0.000 0.633 204 A CB -1.127 17.592 19.000 -0.468 0.000 0.819 204 A HN 0.504 nan 8.150 nan 0.000 0.448 205 F N 0.392 120.275 119.950 -0.112 0.000 2.095 205 F HA -0.187 4.340 4.527 0.001 0.000 0.298 205 F C 2.286 178.044 175.800 -0.071 0.000 1.104 205 F CA 2.284 60.236 58.000 -0.081 0.000 1.232 205 F CB -0.044 38.953 39.000 -0.006 0.000 0.987 205 F HN 0.125 nan 8.300 nan 0.000 0.475 206 K N -0.106 120.417 120.400 0.205 0.000 2.155 206 K HA -0.030 4.291 4.320 0.001 0.000 0.203 206 K C 1.461 178.039 176.600 -0.037 0.000 1.052 206 K CA 0.995 57.353 56.287 0.117 0.000 0.948 206 K CB -0.126 32.441 32.500 0.112 0.000 0.728 206 K HN 0.323 nan 8.250 nan 0.000 0.448 207 L N 1.924 123.070 121.223 -0.127 0.000 2.653 207 L HA 0.066 4.407 4.340 0.001 0.000 0.231 207 L C 0.139 176.856 176.870 -0.255 0.000 1.153 207 L CA -0.427 54.281 54.840 -0.221 0.000 0.933 207 L CB -0.231 41.607 42.059 -0.368 0.000 1.175 207 L HN 0.195 nan 8.230 nan 0.000 0.473 208 Q N 0.209 119.844 119.800 -0.275 0.000 2.311 208 Q HA 0.332 4.672 4.340 0.001 0.000 0.272 208 Q C 0.940 176.782 176.000 -0.264 0.000 1.012 208 Q CA 0.377 55.975 55.803 -0.342 0.000 0.891 208 Q CB 0.565 28.997 28.738 -0.510 0.000 1.201 208 Q HN 0.236 nan 8.270 nan 0.000 0.391 209 G N 2.180 110.835 108.800 -0.242 0.000 2.198 209 G HA2 -0.340 3.620 3.960 0.001 0.000 0.260 209 G HA3 -0.340 3.620 3.960 0.001 0.000 0.260 209 G C 0.507 175.327 174.900 -0.135 0.000 1.025 209 G CA 0.455 45.450 45.100 -0.176 0.000 0.769 209 G HN 1.024 nan 8.290 nan 0.000 0.507 210 S N -1.261 114.351 115.700 -0.147 0.000 2.517 210 S HA 0.432 4.902 4.470 0.001 0.000 0.214 210 S C 2.069 176.614 174.600 -0.092 0.000 0.991 210 S CA 1.085 59.215 58.200 -0.116 0.000 0.906 210 S CB 0.481 63.593 63.200 -0.146 0.000 0.789 210 S HN 2.257 nan 8.310 nan 0.000 0.513 211 G N 1.333 110.072 108.800 -0.101 0.000 2.198 211 G HA2 -0.239 3.722 3.960 0.001 0.000 0.260 211 G HA3 -0.239 3.722 3.960 0.001 0.000 0.260 211 G C -0.125 174.747 174.900 -0.047 0.000 1.025 211 G CA 0.470 45.528 45.100 -0.070 0.000 0.769 211 G HN 0.546 nan 8.290 nan 0.000 0.507 212 L N 0.026 121.208 121.223 -0.068 0.000 2.421 212 L HA 0.654 4.994 4.340 0.001 0.000 0.263 212 L C 1.221 178.117 176.870 0.043 0.000 1.122 212 L CA -0.355 54.481 54.840 -0.006 0.000 0.804 212 L CB 1.276 43.279 42.059 -0.092 0.000 1.150 212 L HN 0.305 nan 8.230 nan 0.000 0.457 213 A N 3.586 126.489 122.820 0.138 0.000 2.410 213 A HA 0.288 4.608 4.320 0.001 0.000 0.292 213 A C -1.351 176.383 177.584 0.250 0.000 1.232 213 A CA -1.208 50.916 52.037 0.146 0.000 0.893 213 A CB -0.320 18.759 19.000 0.132 0.000 1.131 213 A HN 0.602 nan 8.150 nan 0.000 0.530 214 P HA -0.219 nan 4.420 nan 0.000 0.217 214 P C 0.583 178.181 177.300 0.498 0.000 1.148 214 P CA 1.276 64.598 63.100 0.370 0.000 0.834 214 P CB 0.237 32.076 31.700 0.231 0.000 0.783 215 D N -0.034 120.539 120.400 0.288 0.000 2.178 215 D HA -0.091 4.549 4.640 0.001 0.000 0.201 215 D C 1.985 178.401 176.300 0.193 0.000 0.980 215 D CA 1.397 55.527 54.000 0.216 0.000 0.842 215 D CB -0.385 40.483 40.800 0.113 0.000 0.948 215 D HN 0.155 nan 8.370 nan 0.000 0.472 216 A N -0.657 122.270 122.820 0.178 0.000 2.119 216 A HA -0.064 4.257 4.320 0.001 0.000 0.217 216 A C 1.526 178.992 177.584 -0.198 0.000 1.153 216 A CA 0.687 52.702 52.037 -0.038 0.000 0.692 216 A CB -0.436 18.479 19.000 -0.143 0.000 0.799 216 A HN 0.158 nan 8.150 nan 0.000 0.458 217 F N -2.770 117.296 119.950 0.194 0.000 2.727 217 F HA 0.320 4.847 4.527 0.000 0.000 0.302 217 F C 0.493 176.341 175.800 0.079 0.000 1.107 217 F CA -0.667 57.459 58.000 0.209 0.000 1.277 217 F CB 0.238 39.442 39.000 0.340 0.000 1.079 217 F HN 0.178 nan 8.300 nan 0.000 0.594 218 F N 2.356 122.270 119.950 -0.059 0.000 2.467 218 F HA 0.402 4.930 4.527 0.001 0.000 0.362 218 F C -0.311 175.287 175.800 -0.336 0.000 1.090 218 F CA -1.285 56.332 58.000 -0.637 0.000 1.202 218 F CB 0.545 39.204 39.000 -0.568 0.000 1.113 218 F HN -0.218 nan 8.300 nan 0.000 0.541 219 L N 7.549 128.122 121.223 -1.085 0.000 2.265 219 L HA 0.359 4.699 4.340 0.001 0.000 0.288 219 L C -0.525 175.798 176.870 -0.912 0.000 1.058 219 L CA -0.262 54.147 54.840 -0.717 0.000 0.809 219 L CB 0.481 42.260 42.059 -0.467 0.000 1.179 219 L HN 0.596 nan 8.230 nan 0.000 0.429 220 K N 3.468 123.606 120.400 -0.435 0.000 2.168 220 K HA 0.620 4.940 4.320 0.001 0.000 0.258 220 K C 0.680 177.158 176.600 -0.203 0.000 1.010 220 K CA 0.176 56.320 56.287 -0.238 0.000 0.929 220 K CB 0.734 33.208 32.500 -0.044 0.000 0.998 220 K HN 0.877 nan 8.250 nan 0.000 0.479 221 G N 0.314 109.035 108.800 -0.130 0.000 2.175 221 G HA2 -0.154 3.806 3.960 0.001 0.000 0.182 221 G HA3 -0.154 3.806 3.960 0.001 0.000 0.182 221 G C 0.389 175.219 174.900 -0.117 0.000 1.003 221 G CA -0.341 44.699 45.100 -0.101 0.000 0.666 221 G HN 0.845 nan 8.290 nan 0.000 0.506 222 G N -0.898 107.821 108.800 -0.136 0.000 2.494 222 G HA2 0.610 4.571 3.960 0.001 0.000 0.270 222 G HA3 0.610 4.571 3.960 0.001 0.000 0.270 222 G C 0.665 175.502 174.900 -0.105 0.000 1.423 222 G CA 0.649 45.678 45.100 -0.117 0.000 1.055 222 G HN 0.560 nan 8.290 nan 0.000 0.536 223 R N -2.859 117.569 120.500 -0.120 0.000 3.062 223 R HA 0.212 4.552 4.340 0.001 0.000 0.161 223 R C 1.440 177.520 176.300 -0.367 0.000 0.778 223 R CA 0.069 55.957 56.100 -0.354 0.000 1.168 223 R CB 0.070 29.977 30.300 -0.656 0.000 1.618 223 R HN 0.420 nan 8.270 nan 0.000 0.566 224 F N 0.494 120.507 119.950 0.106 0.000 2.720 224 F HA 0.368 4.895 4.527 0.001 0.000 0.301 224 F C 0.203 176.041 175.800 0.064 0.000 1.103 224 F CA -0.127 57.943 58.000 0.117 0.000 1.291 224 F CB 1.378 40.520 39.000 0.238 0.000 1.086 224 F HN -0.250 nan 8.300 nan 0.000 0.592 225 V N 3.376 123.402 119.914 0.187 0.000 2.293 225 V HA 0.160 4.281 4.120 0.001 0.000 0.275 225 V C -0.333 175.898 176.094 0.228 0.000 1.021 225 V CA -1.145 61.241 62.300 0.144 0.000 0.815 225 V CB 0.412 32.259 31.823 0.040 0.000 1.025 225 V HN 0.158 nan 8.190 nan 0.000 0.448 226 D N 4.176 124.675 120.400 0.164 0.000 2.354 226 D HA 0.174 4.814 4.640 0.001 0.000 0.247 226 D C 0.999 177.265 176.300 -0.057 0.000 1.138 226 D CA -0.741 53.316 54.000 0.097 0.000 0.958 226 D CB 1.655 42.471 40.800 0.027 0.000 1.144 226 D HN 0.193 nan 8.370 nan 0.000 0.458 227 R N 0.080 120.271 120.500 -0.514 0.000 2.153 227 R HA -0.160 4.181 4.340 0.001 0.000 0.252 227 R C 1.991 178.112 176.300 -0.297 0.000 1.158 227 R CA 1.395 56.928 56.100 -0.945 0.000 0.975 227 R CB -0.226 29.654 30.300 -0.699 0.000 0.871 227 R HN 0.370 nan 8.270 nan 0.000 0.450 228 V N -0.199 119.629 119.914 -0.143 0.000 2.379 228 V HA -0.129 3.992 4.120 0.001 0.000 0.243 228 V C 2.164 178.245 176.094 -0.021 0.000 1.035 228 V CA 1.405 63.664 62.300 -0.068 0.000 1.035 228 V CB -0.313 31.479 31.823 -0.052 0.000 0.673 228 V HN 0.279 nan 8.190 nan 0.000 0.457 229 R N -0.840 119.670 120.500 0.015 0.000 2.081 229 R HA -0.171 4.170 4.340 0.001 0.000 0.235 229 R C 2.221 178.564 176.300 0.072 0.000 1.131 229 R CA 1.940 58.064 56.100 0.040 0.000 0.960 229 R CB -0.527 29.814 30.300 0.068 0.000 0.856 229 R HN 0.498 nan 8.270 nan 0.000 0.436 230 F N 1.562 121.502 119.950 -0.017 0.000 2.046 230 F HA -0.256 4.271 4.527 0.000 0.000 0.297 230 F C 2.356 178.143 175.800 -0.021 0.000 1.123 230 F CA 1.634 59.656 58.000 0.037 0.000 1.199 230 F CB -0.652 38.446 39.000 0.163 0.000 0.972 230 F HN 0.008 nan 8.300 nan 0.000 0.474 231 A N 0.678 123.486 122.820 -0.021 0.000 1.903 231 A HA -0.274 4.046 4.320 0.001 0.000 0.219 231 A C 2.312 179.782 177.584 -0.189 0.000 1.191 231 A CA 2.295 54.250 52.037 -0.137 0.000 0.638 231 A CB -0.864 18.106 19.000 -0.049 0.000 0.823 231 A HN 0.548 nan 8.150 nan 0.000 0.451 232 R N -1.349 119.071 120.500 -0.132 0.000 2.075 232 R HA -0.049 4.291 4.340 0.001 0.000 0.232 232 R C 2.107 178.289 176.300 -0.196 0.000 1.126 232 R CA 1.204 57.223 56.100 -0.135 0.000 0.963 232 R CB -0.596 29.654 30.300 -0.084 0.000 0.858 232 R HN 0.456 nan 8.270 nan 0.000 0.435 233 L N 1.100 122.199 121.223 -0.206 0.000 2.012 233 L HA -0.126 4.215 4.340 0.001 0.000 0.210 233 L C 2.143 178.780 176.870 -0.389 0.000 1.073 233 L CA 1.731 56.413 54.840 -0.263 0.000 0.748 233 L CB -0.463 41.494 42.059 -0.171 0.000 0.891 233 L HN 0.176 nan 8.230 nan 0.000 0.431 234 M N -1.094 118.229 119.600 -0.463 0.000 2.446 234 M HA -0.166 4.314 4.480 0.001 0.000 0.263 234 M C 1.734 177.817 176.300 -0.362 0.000 1.066 234 M CA 1.241 56.256 55.300 -0.476 0.000 1.087 234 M CB -0.059 32.180 32.600 -0.602 0.000 1.406 234 M HN 0.329 nan 8.290 nan 0.000 0.459 235 E N -0.781 119.233 120.200 -0.310 0.000 2.158 235 E HA 0.009 4.359 4.350 0.001 0.000 0.191 235 E C 1.502 177.918 176.600 -0.306 0.000 0.982 235 E CA 1.251 57.499 56.400 -0.253 0.000 0.823 235 E CB 0.127 29.713 29.700 -0.190 0.000 0.766 235 E HN 0.652 nan 8.360 nan 0.000 0.468 236 G N 1.913 110.459 108.800 -0.423 0.000 2.234 236 G HA2 -0.178 3.782 3.960 0.001 0.000 0.153 236 G HA3 -0.178 3.782 3.960 0.001 0.000 0.153 236 G C -0.280 174.285 174.900 -0.558 0.000 1.013 236 G CA -0.095 44.642 45.100 -0.604 0.000 0.712 236 G HN 0.151 nan 8.290 nan 0.000 0.491 237 D N 0.734 120.924 120.400 -0.349 0.000 2.498 237 D HA 0.354 4.994 4.640 0.001 0.000 0.229 237 D C 1.371 177.573 176.300 -0.164 0.000 1.188 237 D CA -0.585 53.299 54.000 -0.193 0.000 1.028 237 D CB -0.282 40.451 40.800 -0.112 0.000 1.087 237 D HN 0.376 nan 8.370 nan 0.000 0.510 238 Y N 1.798 122.062 120.300 -0.061 0.000 2.256 238 Y HA -0.168 4.382 4.550 0.000 0.000 0.288 238 Y C 2.444 178.358 175.900 0.022 0.000 1.155 238 Y CA 1.151 59.246 58.100 -0.008 0.000 1.203 238 Y CB -0.350 38.118 38.460 0.014 0.000 0.980 238 Y HN 0.493 nan 8.280 nan 0.000 0.530 239 A N -0.372 122.542 122.820 0.157 0.000 2.248 239 A HA -0.044 4.276 4.320 0.001 0.000 0.210 239 A C 2.255 179.880 177.584 0.068 0.000 1.174 239 A CA 0.993 53.089 52.037 0.099 0.000 0.750 239 A CB -1.060 17.981 19.000 0.067 0.000 0.780 239 A HN 0.295 nan 8.150 nan 0.000 0.478 240 V N -0.003 119.944 119.914 0.055 0.000 2.380 240 V HA -0.288 3.832 4.120 0.001 0.000 0.251 240 V C 2.328 178.458 176.094 0.060 0.000 1.063 240 V CA 2.074 64.398 62.300 0.042 0.000 1.055 240 V CB -0.660 31.174 31.823 0.019 0.000 0.657 240 V HN 0.678 nan 8.190 nan 0.000 0.455 241 L N -0.254 121.022 121.223 0.089 0.000 2.551 241 L HA -0.062 4.279 4.340 0.001 0.000 0.228 241 L C 1.488 178.402 176.870 0.072 0.000 1.153 241 L CA 0.750 55.643 54.840 0.089 0.000 0.851 241 L CB -0.430 41.708 42.059 0.131 0.000 0.959 241 L HN 0.355 nan 8.230 nan 0.000 0.451 242 D N -0.539 119.901 120.400 0.066 0.000 2.360 242 D HA -0.030 4.611 4.640 0.001 0.000 0.210 242 D C 1.176 177.503 176.300 0.044 0.000 1.047 242 D CA 0.447 54.478 54.000 0.051 0.000 0.854 242 D CB 0.319 41.147 40.800 0.047 0.000 0.936 242 D HN 0.292 nan 8.370 nan 0.000 0.514 243 E N 0.057 120.286 120.200 0.047 0.000 2.419 243 E HA 0.180 4.530 4.350 0.001 0.000 0.190 243 E C 0.845 177.477 176.600 0.053 0.000 1.040 243 E CA 0.011 56.438 56.400 0.045 0.000 0.900 243 E CB 0.459 30.185 29.700 0.043 0.000 1.054 243 E HN 0.219 nan 8.360 nan 0.000 0.462 244 L N 1.098 122.354 121.223 0.055 0.000 2.818 244 L HA 0.147 4.487 4.340 0.001 0.000 0.243 244 L C 0.745 177.638 176.870 0.037 0.000 1.185 244 L CA -0.302 54.577 54.840 0.066 0.000 0.988 244 L CB 0.243 42.357 42.059 0.091 0.000 1.292 244 L HN 0.043 nan 8.230 nan 0.000 0.519 245 S N -0.487 115.230 115.700 0.027 0.000 2.573 245 S HA 0.310 4.780 4.470 0.001 0.000 0.277 245 S C 1.403 176.005 174.600 0.003 0.000 1.346 245 S CA 0.320 58.525 58.200 0.007 0.000 1.034 245 S CB 1.215 64.422 63.200 0.011 0.000 0.879 245 S HN 0.515 nan 8.310 nan 0.000 0.528 246 G N 0.951 109.739 108.800 -0.019 0.000 2.166 246 G HA2 -0.247 3.714 3.960 0.001 0.000 0.260 246 G HA3 -0.247 3.714 3.960 0.001 0.000 0.260 246 G C 0.280 175.142 174.900 -0.063 0.000 0.986 246 G CA 0.830 45.918 45.100 -0.020 0.000 0.683 246 G HN 1.747 nan 8.290 nan 0.000 0.527 247 T N -4.058 110.399 114.554 -0.162 0.000 2.927 247 T HA 0.720 5.071 4.350 0.001 0.000 0.286 247 T C -1.265 173.138 174.700 -0.495 0.000 1.040 247 T CA -1.073 60.736 62.100 -0.484 0.000 1.010 247 T CB 2.522 71.054 68.868 -0.560 0.000 1.177 247 T HN -0.143 nan 8.240 nan 0.000 0.546 248 P HA 0.035 nan 4.420 nan 0.000 0.220 248 P C 0.493 177.410 177.300 -0.638 0.000 1.144 248 P CA 0.938 63.623 63.100 -0.691 0.000 0.800 248 P CB -0.199 30.952 31.700 -0.915 0.000 0.772 249 F N -0.884 118.888 119.950 -0.296 0.000 2.731 249 F HA 0.064 4.591 4.527 0.001 0.000 0.304 249 F C 2.220 177.948 175.800 -0.120 0.000 1.133 249 F CA 0.362 58.260 58.000 -0.170 0.000 1.380 249 F CB -1.069 37.853 39.000 -0.131 0.000 1.079 249 F HN -0.051 nan 8.300 nan 0.000 0.550 250 S N 0.225 115.911 115.700 -0.024 0.000 2.374 250 S HA -0.202 4.268 4.470 0.001 0.000 0.227 250 S C 2.306 176.907 174.600 0.002 0.000 1.037 250 S CA 1.483 59.675 58.200 -0.013 0.000 1.024 250 S CB -1.226 61.943 63.200 -0.051 0.000 0.861 250 S HN 0.387 nan 8.310 nan 0.000 0.456 251 G N 0.658 109.448 108.800 -0.016 0.000 2.708 251 G HA2 0.203 4.164 3.960 0.001 0.000 0.210 251 G HA3 0.203 4.164 3.960 0.001 0.000 0.210 251 G C 1.095 175.999 174.900 0.007 0.000 1.141 251 G CA 0.296 45.388 45.100 -0.012 0.000 0.788 251 G HN 0.569 nan 8.290 nan 0.000 0.531 252 L N 0.526 121.769 121.223 0.034 0.000 2.592 252 L HA 0.186 4.527 4.340 0.001 0.000 0.227 252 L C 1.569 178.462 176.870 0.038 0.000 1.127 252 L CA -0.309 54.554 54.840 0.038 0.000 0.884 252 L CB 0.120 42.219 42.059 0.066 0.000 1.065 252 L HN 0.133 nan 8.230 nan 0.000 0.457 253 S N 0.651 116.371 115.700 0.033 0.000 2.596 253 S HA 0.231 4.701 4.470 0.001 0.000 0.298 253 S C 1.293 175.907 174.600 0.023 0.000 1.255 253 S CA 0.861 59.080 58.200 0.032 0.000 1.083 253 S CB 0.122 63.336 63.200 0.023 0.000 0.837 253 S HN 0.669 nan 8.310 nan 0.000 0.499 254 G N 3.054 111.872 108.800 0.030 0.000 2.175 254 G HA2 -0.219 3.742 3.960 0.001 0.000 0.244 254 G HA3 -0.219 3.742 3.960 0.001 0.000 0.244 254 G C 0.108 175.012 174.900 0.007 0.000 0.982 254 G CA -0.038 45.071 45.100 0.015 0.000 0.641 254 G HN 0.934 nan 8.290 nan 0.000 0.527 255 V N 1.705 121.633 119.914 0.023 0.000 2.470 255 V HA 0.430 4.551 4.120 0.001 0.000 0.276 255 V C 1.269 177.389 176.094 0.044 0.000 1.040 255 V CA 0.165 62.471 62.300 0.010 0.000 1.008 255 V CB 1.281 33.098 31.823 -0.011 0.000 0.990 255 V HN 0.327 nan 8.190 nan 0.000 0.477 256 R N 2.960 123.454 120.500 -0.010 0.000 2.535 256 R HA 0.240 4.580 4.340 0.001 0.000 0.323 256 R C 0.034 176.383 176.300 0.083 0.000 0.979 256 R CA -0.088 55.967 56.100 -0.075 0.000 1.120 256 R CB 0.370 30.520 30.300 -0.249 0.000 1.306 256 R HN 0.917 nan 8.270 nan 0.000 0.540 257 D N -0.969 119.473 120.400 0.069 0.000 2.523 257 D HA 0.029 4.669 4.640 0.001 0.000 0.236 257 D C 0.727 176.891 176.300 -0.227 0.000 1.094 257 D CA -0.725 53.330 54.000 0.092 0.000 0.942 257 D CB 1.495 42.318 40.800 0.038 0.000 1.447 257 D HN -0.215 nan 8.370 nan 0.000 0.479 258 L N 1.838 122.954 121.223 -0.177 0.000 1.994 258 L HA -0.099 4.242 4.340 0.001 0.000 0.208 258 L C 2.557 179.302 176.870 -0.207 0.000 1.071 258 L CA 2.250 56.885 54.840 -0.341 0.000 0.745 258 L CB -1.041 40.999 42.059 -0.032 0.000 0.892 258 L HN 0.723 nan 8.230 nan 0.000 0.431 259 K N -0.458 119.887 120.400 -0.091 0.000 2.103 259 K HA -0.173 4.147 4.320 0.001 0.000 0.207 259 K C 1.863 178.417 176.600 -0.077 0.000 1.048 259 K CA 1.697 57.948 56.287 -0.060 0.000 0.930 259 K CB -0.335 32.151 32.500 -0.023 0.000 0.716 259 K HN 0.402 nan 8.250 nan 0.000 0.444 260 A N 0.846 123.608 122.820 -0.096 0.000 1.968 260 A HA -0.035 4.285 4.320 0.001 0.000 0.217 260 A C 2.035 179.548 177.584 -0.118 0.000 1.169 260 A CA 1.050 53.036 52.037 -0.085 0.000 0.638 260 A CB -0.532 18.428 19.000 -0.066 0.000 0.812 260 A HN 0.394 nan 8.150 nan 0.000 0.446 261 L N 0.186 121.280 121.223 -0.215 0.000 1.994 261 L HA -0.152 4.188 4.340 0.001 0.000 0.208 261 L C 2.139 178.923 176.870 -0.143 0.000 1.071 261 L CA 2.537 57.233 54.840 -0.239 0.000 0.745 261 L CB -0.710 41.049 42.059 -0.500 0.000 0.892 261 L HN 0.506 nan 8.230 nan 0.000 0.431 262 E N -0.760 119.362 120.200 -0.131 0.000 2.085 262 E HA -0.289 4.061 4.350 0.001 0.000 0.194 262 E C 2.332 178.900 176.600 -0.052 0.000 0.994 262 E CA 1.353 57.711 56.400 -0.069 0.000 0.801 262 E CB -0.197 29.477 29.700 -0.043 0.000 0.743 262 E HN 0.419 nan 8.360 nan 0.000 0.453 263 R N 0.187 120.657 120.500 -0.051 0.000 2.073 263 R HA -0.133 4.207 4.340 0.001 0.000 0.234 263 R C 2.350 178.610 176.300 -0.066 0.000 1.134 263 R CA 1.732 57.806 56.100 -0.043 0.000 0.952 263 R CB -0.499 29.790 30.300 -0.019 0.000 0.850 263 R HN 0.214 nan 8.270 nan 0.000 0.433 264 G N 1.041 109.808 108.800 -0.055 0.000 2.422 264 G HA2 -0.207 3.753 3.960 0.001 0.000 0.218 264 G HA3 -0.207 3.753 3.960 0.001 0.000 0.218 264 G C 1.522 176.399 174.900 -0.037 0.000 1.146 264 G CA 0.575 45.648 45.100 -0.045 0.000 0.769 264 G HN 0.239 nan 8.290 nan 0.000 0.547 265 L N -0.425 120.788 121.223 -0.017 0.000 2.056 265 L HA -0.021 4.319 4.340 0.001 0.000 0.207 265 L C 2.967 179.807 176.870 -0.050 0.000 1.078 265 L CA 1.112 55.967 54.840 0.024 0.000 0.749 265 L CB -0.374 41.704 42.059 0.031 0.000 0.901 265 L HN 0.181 nan 8.230 nan 0.000 0.433 266 R N -0.525 119.913 120.500 -0.104 0.000 2.083 266 R HA -0.203 4.137 4.340 0.001 0.000 0.237 266 R C 2.457 178.578 176.300 -0.298 0.000 1.137 266 R CA 2.128 58.109 56.100 -0.198 0.000 0.951 266 R CB -0.407 29.745 30.300 -0.247 0.000 0.851 266 R HN 0.410 nan 8.270 nan 0.000 0.434 267 c N -0.358 118.074 118.600 -0.281 0.000 2.432 267 c HA -0.064 4.507 4.570 0.001 0.000 0.277 267 c C 2.655 176.609 174.090 -0.226 0.000 1.249 267 c CA 0.597 56.750 56.329 -0.293 0.000 1.725 267 c CB -0.683 41.706 42.510 -0.201 0.000 2.028 267 c HN 0.381 nan 8.230 nan 0.000 0.477 268 V N 1.418 121.219 119.914 -0.188 0.000 2.250 268 V HA -0.292 3.828 4.120 0.001 0.000 0.250 268 V C 2.276 178.248 176.094 -0.204 0.000 1.060 268 V CA 2.274 64.433 62.300 -0.235 0.000 1.030 268 V CB -0.770 30.856 31.823 -0.329 0.000 0.643 268 V HN 0.562 nan 8.190 nan 0.000 0.445 269 L N -1.110 120.023 121.223 -0.150 0.000 2.156 269 L HA -0.111 4.229 4.340 0.001 0.000 0.208 269 L C 2.415 179.300 176.870 0.026 0.000 1.095 269 L CA 0.923 55.725 54.840 -0.063 0.000 0.770 269 L CB -0.554 41.483 42.059 -0.037 0.000 0.914 269 L HN 0.332 nan 8.230 nan 0.000 0.439 270 L N 0.563 121.714 121.223 -0.120 0.000 2.046 270 L HA -0.224 4.116 4.340 0.001 0.000 0.208 270 L C 2.623 179.431 176.870 -0.102 0.000 1.077 270 L CA 1.824 56.565 54.840 -0.166 0.000 0.747 270 L CB -0.478 41.328 42.059 -0.422 0.000 0.896 270 L HN 0.133 nan 8.230 nan 0.000 0.432 271 K N -0.622 119.707 120.400 -0.119 0.000 2.057 271 K HA -0.277 4.043 4.320 0.001 0.000 0.207 271 K C 2.119 178.696 176.600 -0.038 0.000 1.049 271 K CA 1.763 58.000 56.287 -0.083 0.000 0.931 271 K CB -0.125 32.309 32.500 -0.110 0.000 0.714 271 K HN 0.431 nan 8.250 nan 0.000 0.440 272 E N 0.345 120.535 120.200 -0.017 0.000 2.072 272 E HA -0.128 4.222 4.350 0.001 0.000 0.191 272 E C 1.654 178.333 176.600 0.132 0.000 0.985 272 E CA 1.427 57.861 56.400 0.057 0.000 0.801 272 E CB -0.228 29.509 29.700 0.060 0.000 0.750 272 E HN 0.392 nan 8.360 nan 0.000 0.452 273 A N 0.756 123.668 122.820 0.154 0.000 1.972 273 A HA -0.191 4.130 4.320 0.001 0.000 0.219 273 A C 1.985 179.552 177.584 -0.028 0.000 1.169 273 A CA 1.676 53.706 52.037 -0.011 0.000 0.635 273 A CB -0.414 18.530 19.000 -0.092 0.000 0.810 273 A HN 0.208 nan 8.150 nan 0.000 0.446 274 K N -0.226 120.170 120.400 -0.008 0.000 2.439 274 K HA -0.030 4.290 4.320 0.001 0.000 0.197 274 K C 1.679 178.278 176.600 -0.002 0.000 1.041 274 K CA 0.820 57.104 56.287 -0.004 0.000 0.970 274 K CB -0.034 32.465 32.500 -0.001 0.000 0.773 274 K HN 0.452 nan 8.250 nan 0.000 0.479 275 K N 0.005 120.406 120.400 0.001 0.000 2.103 275 K HA -0.110 4.210 4.320 0.001 0.000 0.207 275 K C 1.775 178.372 176.600 -0.006 0.000 1.048 275 K CA 1.344 57.632 56.287 0.001 0.000 0.930 275 K CB -0.057 32.449 32.500 0.010 0.000 0.716 275 K HN 0.186 nan 8.250 nan 0.000 0.444 276 G N 0.832 109.623 108.800 -0.016 0.000 3.371 276 G HA2 0.066 4.026 3.960 0.001 0.000 0.248 276 G HA3 0.066 4.026 3.960 0.001 0.000 0.248 276 G C 1.264 176.148 174.900 -0.027 0.000 1.161 276 G CA -0.016 45.066 45.100 -0.029 0.000 0.796 276 G HN 0.145 nan 8.290 nan 0.000 0.539 277 V N -2.007 117.901 119.914 -0.010 0.000 2.469 277 V HA -0.162 3.958 4.120 0.001 0.000 0.251 277 V C 1.875 177.966 176.094 -0.006 0.000 1.064 277 V CA 1.677 63.978 62.300 0.002 0.000 1.066 277 V CB -0.506 31.328 31.823 0.018 0.000 0.667 277 V HN 0.424 nan 8.190 nan 0.000 0.461 278 Q N -0.176 119.618 119.800 -0.010 0.000 2.172 278 Q HA 0.174 4.515 4.340 0.001 0.000 0.217 278 Q C -0.494 175.494 176.000 -0.019 0.000 0.832 278 Q CA -0.414 55.382 55.803 -0.011 0.000 1.010 278 Q CB 0.391 29.126 28.738 -0.005 0.000 1.133 278 Q HN 0.595 nan 8.270 nan 0.000 0.489 279 D N 2.424 122.805 120.400 -0.030 0.000 2.434 279 D HA -0.035 4.606 4.640 0.001 0.000 0.252 279 D C -1.326 174.952 176.300 -0.036 0.000 1.185 279 D CA -1.137 52.839 54.000 -0.040 0.000 0.886 279 D CB 0.996 41.755 40.800 -0.068 0.000 1.148 279 D HN 0.126 nan 8.370 nan 0.000 0.483 280 P HA -0.034 nan 4.420 nan 0.000 0.225 280 P C 0.216 177.515 177.300 -0.002 0.000 1.156 280 P CA 0.704 63.800 63.100 -0.007 0.000 0.787 280 P CB 0.643 32.344 31.700 0.001 0.000 0.802 281 L N -1.600 119.609 121.223 -0.022 0.000 2.319 281 L HA 0.677 5.017 4.340 0.001 0.000 0.267 281 L C 0.885 177.680 176.870 -0.125 0.000 1.011 281 L CA -0.461 54.367 54.840 -0.019 0.000 0.818 281 L CB 1.496 43.554 42.059 -0.001 0.000 1.316 281 L HN 0.105 nan 8.230 nan 0.000 0.432 282 G N 0.321 108.999 108.800 -0.204 0.000 2.681 282 G HA2 -0.224 3.736 3.960 0.001 0.000 0.220 282 G HA3 -0.224 3.736 3.960 0.001 0.000 0.220 282 G C 0.117 174.324 174.900 -1.155 0.000 1.353 282 G CA -0.216 44.570 45.100 -0.523 0.000 0.872 282 G HN 0.532 nan 8.290 nan 0.000 0.557 283 V N 1.829 121.099 119.914 -1.073 0.000 3.573 283 V HA 0.302 4.423 4.120 0.001 0.000 0.270 283 V C 2.516 178.386 176.094 -0.372 0.000 1.221 283 V CA 2.409 64.189 62.300 -0.866 0.000 1.163 283 V CB -0.636 30.948 31.823 -0.400 0.000 0.847 283 V HN 1.646 nan 8.190 nan 0.000 0.468 284 G N 0.161 108.791 108.800 -0.283 0.000 2.418 284 G HA2 -0.242 3.718 3.960 0.001 0.000 0.217 284 G HA3 -0.242 3.718 3.960 0.001 0.000 0.217 284 G C 1.420 176.256 174.900 -0.106 0.000 1.158 284 G CA 1.170 46.178 45.100 -0.154 0.000 0.771 284 G HN 0.491 nan 8.290 nan 0.000 0.545 285 L N 0.757 121.917 121.223 -0.105 0.000 2.072 285 L HA 0.146 4.486 4.340 0.001 0.000 0.205 285 L C 2.714 179.591 176.870 0.012 0.000 1.079 285 L CA 1.503 56.319 54.840 -0.039 0.000 0.752 285 L CB -0.866 41.169 42.059 -0.040 0.000 0.906 285 L HN 0.091 nan 8.230 nan 0.000 0.436 286 V N -0.388 119.533 119.914 0.012 0.000 2.515 286 V HA -0.191 3.929 4.120 0.001 0.000 0.250 286 V C 2.542 178.691 176.094 0.093 0.000 1.058 286 V CA 1.639 64.004 62.300 0.109 0.000 1.064 286 V CB -0.198 31.722 31.823 0.162 0.000 0.675 286 V HN 0.580 nan 8.190 nan 0.000 0.461 287 L N 1.190 122.405 121.223 -0.012 0.000 2.017 287 L HA 0.022 4.362 4.340 0.001 0.000 0.208 287 L C 2.489 179.302 176.870 -0.095 0.000 1.073 287 L CA 2.741 57.526 54.840 -0.091 0.000 0.745 287 L CB -1.170 40.776 42.059 -0.188 0.000 0.894 287 L HN 0.246 nan 8.230 nan 0.000 0.432 288 A N -1.122 121.668 122.820 -0.051 0.000 1.908 288 A HA -0.294 4.026 4.320 0.001 0.000 0.218 288 A C 2.329 179.941 177.584 0.046 0.000 1.181 288 A CA 1.964 53.990 52.037 -0.018 0.000 0.627 288 A CB -1.334 17.671 19.000 0.009 0.000 0.818 288 A HN 0.709 nan 8.150 nan 0.000 0.445 289 Y N 0.594 120.877 120.300 -0.029 0.000 2.145 289 Y HA -0.151 4.399 4.550 0.000 0.000 0.286 289 Y C 2.332 178.236 175.900 0.007 0.000 1.145 289 Y CA 1.739 59.837 58.100 -0.003 0.000 1.148 289 Y CB -0.522 37.936 38.460 -0.005 0.000 0.981 289 Y HN 0.054 nan 8.280 nan 0.000 0.507 290 V N 0.988 120.838 119.914 -0.106 0.000 2.295 290 V HA -0.295 3.826 4.120 0.001 0.000 0.246 290 V C 2.394 178.398 176.094 -0.149 0.000 1.049 290 V CA 2.244 64.441 62.300 -0.171 0.000 1.024 290 V CB -0.568 31.239 31.823 -0.027 0.000 0.648 290 V HN 0.286 nan 8.190 nan 0.000 0.447 291 K N 0.177 120.515 120.400 -0.103 0.000 2.097 291 K HA -0.146 4.175 4.320 0.001 0.000 0.205 291 K C 1.980 178.566 176.600 -0.023 0.000 1.050 291 K CA 1.283 57.530 56.287 -0.066 0.000 0.938 291 K CB -0.408 32.041 32.500 -0.084 0.000 0.718 291 K HN 0.601 nan 8.250 nan 0.000 0.442 292 E N 0.401 120.581 120.200 -0.034 0.000 2.106 292 E HA -0.104 4.247 4.350 0.001 0.000 0.192 292 E C 2.103 178.712 176.600 0.015 0.000 0.984 292 E CA 0.506 56.932 56.400 0.043 0.000 0.806 292 E CB 0.040 29.774 29.700 0.056 0.000 0.750 292 E HN 0.092 nan 8.360 nan 0.000 0.458 293 R N 1.144 121.554 120.500 -0.151 0.000 2.096 293 R HA -0.109 4.231 4.340 0.001 0.000 0.235 293 R C 1.978 178.264 176.300 -0.023 0.000 1.127 293 R CA 1.080 57.097 56.100 -0.138 0.000 0.968 293 R CB -0.338 29.767 30.300 -0.325 0.000 0.861 293 R HN 0.349 nan 8.270 nan 0.000 0.440 294 E N -0.656 119.533 120.200 -0.018 0.000 2.051 294 E HA -0.214 4.136 4.350 0.001 0.000 0.192 294 E C 1.756 178.422 176.600 0.109 0.000 0.991 294 E CA 0.990 57.402 56.400 0.020 0.000 0.799 294 E CB -0.244 29.457 29.700 0.002 0.000 0.748 294 E HN 0.470 nan 8.360 nan 0.000 0.449 295 W N 1.880 123.117 121.300 -0.105 0.000 2.402 295 W HA -0.184 4.475 4.660 -0.000 0.000 0.286 295 W C 1.967 178.400 176.519 -0.143 0.000 1.221 295 W CA 0.975 58.244 57.345 -0.126 0.000 1.257 295 W CB 0.175 29.556 29.460 -0.132 0.000 1.120 295 W HN 0.129 nan 8.180 nan 0.000 0.551 296 E N 0.600 120.765 120.200 -0.058 0.000 2.051 296 E HA -0.229 4.121 4.350 0.001 0.000 0.192 296 E C 2.317 178.871 176.600 -0.076 0.000 0.991 296 E CA 1.735 58.091 56.400 -0.073 0.000 0.799 296 E CB -0.352 29.413 29.700 0.109 0.000 0.748 296 E HN 0.205 nan 8.360 nan 0.000 0.449 297 A N 0.421 123.229 122.820 -0.020 0.000 1.877 297 A HA -0.141 4.180 4.320 0.001 0.000 0.216 297 A C 2.423 179.971 177.584 -0.061 0.000 1.186 297 A CA 1.475 53.496 52.037 -0.027 0.000 0.620 297 A CB -0.740 18.273 19.000 0.021 0.000 0.822 297 A HN 0.231 nan 8.150 nan 0.000 0.443 298 V N -0.036 119.842 119.914 -0.060 0.000 2.332 298 V HA -0.280 3.840 4.120 0.001 0.000 0.248 298 V C 2.678 178.678 176.094 -0.157 0.000 1.055 298 V CA 2.354 64.616 62.300 -0.062 0.000 1.038 298 V CB -0.782 31.078 31.823 0.062 0.000 0.651 298 V HN 0.519 nan 8.190 nan 0.000 0.450 299 R N -0.746 119.542 120.500 -0.353 0.000 2.090 299 R HA 0.011 4.352 4.340 0.001 0.000 0.228 299 R C 2.304 178.582 176.300 -0.037 0.000 1.110 299 R CA 1.039 56.897 56.100 -0.403 0.000 0.973 299 R CB -0.308 29.426 30.300 -0.944 0.000 0.869 299 R HN 0.414 nan 8.270 nan 0.000 0.440 300 L N 0.213 121.468 121.223 0.053 0.000 2.017 300 L HA -0.201 4.140 4.340 0.001 0.000 0.208 300 L C 2.548 179.477 176.870 0.098 0.000 1.073 300 L CA 1.562 56.502 54.840 0.167 0.000 0.745 300 L CB -0.343 41.688 42.059 -0.046 0.000 0.894 300 L HN 0.141 nan 8.230 nan 0.000 0.432 301 R N -0.236 120.268 120.500 0.006 0.000 2.081 301 R HA -0.133 4.208 4.340 0.001 0.000 0.235 301 R C 2.288 178.569 176.300 -0.032 0.000 1.131 301 R CA 1.162 57.253 56.100 -0.014 0.000 0.960 301 R CB -0.367 29.918 30.300 -0.026 0.000 0.856 301 R HN 0.293 nan 8.270 nan 0.000 0.436 302 L N 0.325 121.529 121.223 -0.031 0.000 2.056 302 L HA -0.164 4.177 4.340 0.001 0.000 0.207 302 L C 2.241 179.085 176.870 -0.044 0.000 1.078 302 L CA 1.153 55.977 54.840 -0.026 0.000 0.749 302 L CB -0.296 41.746 42.059 -0.029 0.000 0.901 302 L HN 0.173 nan 8.230 nan 0.000 0.433 303 L N -0.767 120.430 121.223 -0.045 0.000 2.156 303 L HA -0.126 4.214 4.340 0.001 0.000 0.208 303 L C 2.816 179.428 176.870 -0.430 0.000 1.095 303 L CA 0.822 55.606 54.840 -0.093 0.000 0.770 303 L CB -0.665 41.462 42.059 0.114 0.000 0.914 303 L HN 0.219 nan 8.230 nan 0.000 0.439 304 A N 0.495 122.964 122.820 -0.584 0.000 1.877 304 A HA -0.231 4.090 4.320 0.001 0.000 0.216 304 A C 2.381 179.820 177.584 -0.242 0.000 1.186 304 A CA 1.693 53.276 52.037 -0.757 0.000 0.620 304 A CB -0.440 18.386 19.000 -0.290 0.000 0.822 304 A HN 0.304 nan 8.150 nan 0.000 0.443 305 R N -1.090 119.340 120.500 -0.116 0.000 2.081 305 R HA -0.067 4.274 4.340 0.001 0.000 0.235 305 R C 2.530 178.898 176.300 0.112 0.000 1.131 305 R CA 1.299 57.425 56.100 0.044 0.000 0.960 305 R CB -0.334 30.064 30.300 0.163 0.000 0.856 305 R HN 0.475 nan 8.270 nan 0.000 0.436 306 R N 0.868 121.387 120.500 0.032 0.000 2.083 306 R HA -0.133 4.208 4.340 0.001 0.000 0.237 306 R C 2.031 178.352 176.300 0.035 0.000 1.137 306 R CA 1.909 58.038 56.100 0.049 0.000 0.951 306 R CB -0.358 29.949 30.300 0.011 0.000 0.851 306 R HN 0.273 nan 8.270 nan 0.000 0.434 307 A N -0.001 122.808 122.820 -0.018 0.000 1.877 307 A HA -0.219 4.101 4.320 0.001 0.000 0.216 307 A C 2.100 179.727 177.584 0.072 0.000 1.186 307 A CA 1.367 53.433 52.037 0.048 0.000 0.620 307 A CB -0.979 18.047 19.000 0.044 0.000 0.822 307 A HN 0.556 nan 8.150 nan 0.000 0.443 308 Y N -0.772 119.400 120.300 -0.214 0.000 2.081 308 Y HA -0.239 4.311 4.550 0.000 0.000 0.280 308 Y C 1.763 177.326 175.900 -0.562 0.000 1.163 308 Y CA 2.336 60.006 58.100 -0.716 0.000 1.135 308 Y CB -0.329 37.383 38.460 -1.246 0.000 0.970 308 Y HN 0.291 nan 8.280 nan 0.000 0.498 309 F N -0.760 119.151 119.950 -0.065 0.000 2.776 309 F HA 0.272 4.799 4.527 0.001 0.000 0.300 309 F C 1.930 177.675 175.800 -0.092 0.000 1.116 309 F CA 0.671 58.609 58.000 -0.104 0.000 1.375 309 F CB -0.185 38.806 39.000 -0.015 0.000 1.109 309 F HN 0.131 nan 8.300 nan 0.000 0.585 310 G N 1.287 110.128 108.800 0.069 0.000 2.160 310 G HA2 -0.304 3.657 3.960 0.001 0.000 0.251 310 G HA3 -0.304 3.657 3.960 0.001 0.000 0.251 310 G C 0.333 175.265 174.900 0.053 0.000 1.008 310 G CA -0.032 45.089 45.100 0.035 0.000 0.724 310 G HN 0.283 nan 8.290 nan 0.000 0.514 311 L N 0.481 121.755 121.223 0.085 0.000 2.516 311 L HA 0.266 4.606 4.340 0.001 0.000 0.288 311 L C -1.339 175.550 176.870 0.032 0.000 1.246 311 L CA -1.279 53.593 54.840 0.054 0.000 0.844 311 L CB -0.067 42.029 42.059 0.062 0.000 1.106 311 L HN 0.047 nan 8.230 nan 0.000 0.509 312 P HA 0.182 nan 4.420 nan 0.000 0.282 312 P C 0.034 177.343 177.300 0.015 0.000 1.249 312 P CA -0.774 62.334 63.100 0.014 0.000 0.806 312 P CB 0.912 32.617 31.700 0.008 0.000 0.984 313 R N 2.467 122.976 120.500 0.015 0.000 2.119 313 R HA -0.230 4.110 4.340 0.001 0.000 0.246 313 R C 1.721 178.031 176.300 0.017 0.000 1.146 313 R CA 2.269 58.379 56.100 0.017 0.000 0.962 313 R CB -0.940 29.369 30.300 0.016 0.000 0.863 313 R HN 0.538 nan 8.270 nan 0.000 0.442 314 A N 0.465 123.293 122.820 0.014 0.000 1.969 314 A HA -0.200 4.121 4.320 0.001 0.000 0.218 314 A C 2.053 179.645 177.584 0.013 0.000 1.169 314 A CA 1.341 53.386 52.037 0.013 0.000 0.635 314 A CB -0.499 18.506 19.000 0.009 0.000 0.810 314 A HN 0.569 nan 8.150 nan 0.000 0.445 315 Q N -0.646 119.160 119.800 0.010 0.000 2.082 315 Q HA -0.223 4.117 4.340 0.001 0.000 0.211 315 Q C 2.002 178.010 176.000 0.014 0.000 1.002 315 Q CA 2.928 58.736 55.803 0.009 0.000 0.868 315 Q CB -0.239 28.503 28.738 0.008 0.000 0.931 315 Q HN 0.783 nan 8.270 nan 0.000 0.414 316 V N -2.864 117.060 119.914 0.018 0.000 3.523 316 V HA 0.063 4.184 4.120 0.001 0.000 0.255 316 V C 1.721 177.830 176.094 0.026 0.000 1.226 316 V CA 1.200 63.512 62.300 0.020 0.000 1.092 316 V CB 0.112 31.945 31.823 0.017 0.000 0.817 316 V HN 0.381 nan 8.190 nan 0.000 0.458 317 E N 1.192 121.408 120.200 0.028 0.000 2.085 317 E HA -0.314 4.036 4.350 0.001 0.000 0.194 317 E C 2.113 178.738 176.600 0.042 0.000 0.994 317 E CA 2.181 58.602 56.400 0.035 0.000 0.801 317 E CB -0.352 29.368 29.700 0.032 0.000 0.743 317 E HN 0.789 nan 8.360 nan 0.000 0.453 318 E N -0.341 119.881 120.200 0.037 0.000 2.085 318 E HA -0.218 4.132 4.350 0.001 0.000 0.194 318 E C 1.729 178.368 176.600 0.064 0.000 0.994 318 E CA 1.346 57.770 56.400 0.041 0.000 0.801 318 E CB 0.086 29.802 29.700 0.027 0.000 0.743 318 E HN 0.316 nan 8.360 nan 0.000 0.453 319 E N -0.385 119.854 120.200 0.065 0.000 2.358 319 E HA -0.088 4.262 4.350 0.001 0.000 0.195 319 E C 1.747 178.440 176.600 0.155 0.000 1.010 319 E CA 0.792 57.251 56.400 0.098 0.000 0.856 319 E CB 0.618 30.356 29.700 0.063 0.000 0.795 319 E HN 0.320 nan 8.360 nan 0.000 0.504 320 V N -2.593 117.372 119.914 0.085 0.000 3.380 320 V HA 0.283 4.404 4.120 0.001 0.000 0.307 320 V C 0.494 176.627 176.094 0.065 0.000 1.434 320 V CA -0.386 61.889 62.300 -0.042 0.000 1.075 320 V CB 0.484 32.219 31.823 -0.147 0.000 0.954 320 V HN -0.207 nan 8.190 nan 0.000 0.444 321 V N 0.076 120.104 119.914 0.191 0.000 2.680 321 V HA 0.590 4.710 4.120 0.001 0.000 0.309 321 V C -0.114 176.098 176.094 0.195 0.000 1.052 321 V CA -0.348 62.061 62.300 0.182 0.000 0.908 321 V CB 1.595 33.477 31.823 0.099 0.000 1.001 321 V HN 0.478 nan 8.190 nan 0.000 0.431 322 c N 0.000 118.697 118.600 0.162 0.000 2.653 322 c HA 0.000 4.570 4.570 0.001 0.000 0.325 322 c CA 0.000 56.358 56.329 0.049 0.000 1.963 322 c CB 0.000 42.491 42.510 -0.032 0.000 2.134 322 c HN 0.000 nan 8.230 nan 0.000 0.568