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 2p67_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLINEATLAE SIRRLRQGER ATLAQAMTLV ESRHPRHQAL STQLLDAIMP DATA SEQUENCE YCGNTLRLGV TGTPGAGKST FLEAFGMLLI REGLKVAVIA VDPSXXXXXX DATA SEQUENCE XXXXXXXXXN DLARAEAAFI RPVPSXXXXX GASQRARELM LLCEAAGYDV DATA SEQUENCE VIVETVGVGQ SETEVARMVD CFISLQIAXX XXXXQGIKKG LMEVADLIVI DATA SEQUENCE NKDDGDNHTN VAIARHMYES ALHILRRKYD EWQPRVLTCS ALEKRGIDEI DATA SEQUENCE WHAIIDFKTA LTASGRLQQV RQQQSVEWLR KQTEEEVLNH LFANEDFDRY DATA SEQUENCE YRQTLLAVKN NTLSPRTGLR QLSEFIQT 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.601 174.600 0.001 0.000 1.055 0 S CA 0.000 58.200 58.200 0.001 0.000 1.107 0 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 1 L N 2.156 123.381 121.223 0.004 0.000 2.456 1 L HA 0.385 4.724 4.340 -0.001 0.000 0.272 1 L C -0.381 176.493 176.870 0.006 0.000 1.189 1 L CA 0.075 54.920 54.840 0.007 0.000 0.846 1 L CB 0.042 42.109 42.059 0.013 0.000 1.111 1 L HN 0.542 nan 8.230 nan 0.000 0.475 2 I N 3.481 124.054 120.570 0.005 0.000 2.330 2 I HA 0.310 4.479 4.170 -0.001 0.000 0.289 2 I C -0.456 175.674 176.117 0.022 0.000 1.001 2 I CA -0.344 60.959 61.300 0.005 0.000 1.193 2 I CB 1.152 39.147 38.000 -0.009 0.000 1.345 2 I HN 0.773 nan 8.210 nan 0.000 0.461 3 N N 3.245 121.962 118.700 0.028 0.000 3.106 3 N HA 0.118 4.857 4.740 -0.001 0.000 0.253 3 N C 0.218 175.750 175.510 0.037 0.000 1.506 3 N CA -0.927 52.150 53.050 0.044 0.000 0.876 3 N CB 0.680 39.196 38.487 0.047 0.000 1.452 3 N HN 0.449 nan 8.380 nan 0.000 0.542 4 E N -0.343 119.881 120.200 0.040 0.000 2.058 4 E HA -0.237 4.112 4.350 -0.001 0.000 0.194 4 E C 1.551 178.166 176.600 0.025 0.000 0.997 4 E CA 1.844 58.264 56.400 0.033 0.000 0.801 4 E CB -0.364 29.355 29.700 0.032 0.000 0.746 4 E HN 0.615 nan 8.360 nan 0.000 0.450 5 A N 0.373 123.207 122.820 0.023 0.000 1.933 5 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 5 A C 2.348 179.941 177.584 0.015 0.000 1.175 5 A CA 2.191 54.239 52.037 0.018 0.000 0.628 5 A CB -0.833 18.177 19.000 0.017 0.000 0.814 5 A HN 0.498 nan 8.150 nan 0.000 0.444 6 T N -3.098 111.465 114.554 0.015 0.000 3.086 6 T HA 0.187 4.537 4.350 -0.001 0.000 0.250 6 T C 1.437 176.141 174.700 0.007 0.000 1.074 6 T CA 0.566 62.672 62.100 0.010 0.000 0.988 6 T CB -0.124 68.749 68.868 0.008 0.000 0.988 6 T HN 0.101 nan 8.240 nan 0.000 0.530 7 L N 2.057 123.287 121.223 0.013 0.000 2.013 7 L HA 0.088 4.427 4.340 -0.001 0.000 0.212 7 L C 2.749 179.623 176.870 0.006 0.000 1.073 7 L CA 2.079 56.926 54.840 0.012 0.000 0.753 7 L CB -1.234 40.837 42.059 0.021 0.000 0.890 7 L HN 0.390 nan 8.230 nan 0.000 0.432 8 A N -0.724 122.101 122.820 0.008 0.000 1.902 8 A HA -0.242 4.077 4.320 -0.001 0.000 0.217 8 A C 2.222 179.797 177.584 -0.016 0.000 1.181 8 A CA 1.684 53.723 52.037 0.003 0.000 0.623 8 A CB -0.710 18.296 19.000 0.011 0.000 0.818 8 A HN 0.606 nan 8.150 nan 0.000 0.443 9 E N 0.442 120.634 120.200 -0.013 0.000 2.106 9 E HA -0.099 4.250 4.350 -0.001 0.000 0.192 9 E C 1.931 178.513 176.600 -0.030 0.000 0.984 9 E CA 1.806 58.193 56.400 -0.022 0.000 0.806 9 E CB -0.485 29.207 29.700 -0.014 0.000 0.750 9 E HN 0.426 nan 8.360 nan 0.000 0.458 10 S N 0.252 115.938 115.700 -0.023 0.000 2.368 10 S HA -0.106 4.363 4.470 -0.001 0.000 0.225 10 S C 1.945 176.518 174.600 -0.045 0.000 1.030 10 S CA 1.331 59.515 58.200 -0.026 0.000 0.999 10 S CB -0.388 62.803 63.200 -0.015 0.000 0.844 10 S HN 0.322 nan 8.310 nan 0.000 0.459 11 I N 1.330 121.870 120.570 -0.050 0.000 2.208 11 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 11 I C 2.670 178.701 176.117 -0.144 0.000 1.097 11 I CA 1.268 62.514 61.300 -0.090 0.000 1.363 11 I CB -0.321 37.635 38.000 -0.074 0.000 1.051 11 I HN 0.201 nan 8.210 nan 0.000 0.413 12 R N 0.399 120.827 120.500 -0.119 0.000 2.081 12 R HA -0.136 4.203 4.340 -0.001 0.000 0.235 12 R C 2.456 178.693 176.300 -0.105 0.000 1.131 12 R CA 1.228 57.252 56.100 -0.127 0.000 0.960 12 R CB -0.346 29.903 30.300 -0.086 0.000 0.856 12 R HN 0.372 nan 8.270 nan 0.000 0.436 13 R N 0.478 120.932 120.500 -0.075 0.000 2.081 13 R HA -0.147 4.193 4.340 -0.001 0.000 0.235 13 R C 2.364 178.621 176.300 -0.071 0.000 1.131 13 R CA 1.210 57.274 56.100 -0.060 0.000 0.960 13 R CB -0.503 29.773 30.300 -0.040 0.000 0.856 13 R HN 0.143 nan 8.270 nan 0.000 0.436 14 L N 1.273 122.447 121.223 -0.082 0.000 1.994 14 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 14 L C 2.117 178.923 176.870 -0.108 0.000 1.071 14 L CA 1.764 56.552 54.840 -0.085 0.000 0.745 14 L CB -0.232 41.777 42.059 -0.083 0.000 0.892 14 L HN -0.039 nan 8.230 nan 0.000 0.431 15 R N -0.829 119.580 120.500 -0.153 0.000 2.189 15 R HA -0.112 4.227 4.340 -0.001 0.000 0.223 15 R C 2.053 178.272 176.300 -0.135 0.000 1.092 15 R CA 1.283 57.278 56.100 -0.175 0.000 0.989 15 R CB -0.297 29.830 30.300 -0.288 0.000 0.876 15 R HN 0.587 nan 8.270 nan 0.000 0.457 16 Q N -0.499 119.232 119.800 -0.115 0.000 2.482 16 Q HA 0.063 4.402 4.340 -0.001 0.000 0.209 16 Q C 0.715 176.655 176.000 -0.099 0.000 0.961 16 Q CA 0.547 56.292 55.803 -0.096 0.000 0.945 16 Q CB 0.733 29.425 28.738 -0.076 0.000 1.012 16 Q HN 0.550 nan 8.270 nan 0.000 0.515 17 G N 1.404 110.139 108.800 -0.109 0.000 2.132 17 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.234 17 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.234 17 G C -0.445 174.416 174.900 -0.065 0.000 0.989 17 G CA -0.272 44.752 45.100 -0.127 0.000 0.676 17 G HN 0.363 nan 8.290 nan 0.000 0.522 18 E N 0.096 120.270 120.200 -0.043 0.000 2.328 18 E HA 0.241 4.590 4.350 -0.001 0.000 0.265 18 E C 1.580 178.198 176.600 0.029 0.000 1.057 18 E CA -0.369 56.027 56.400 -0.007 0.000 0.916 18 E CB 0.481 30.174 29.700 -0.012 0.000 0.993 18 E HN 0.445 nan 8.360 nan 0.000 0.446 19 R N 2.435 122.988 120.500 0.088 0.000 2.115 19 R HA -0.164 4.175 4.340 -0.001 0.000 0.230 19 R C 2.097 178.525 176.300 0.213 0.000 1.111 19 R CA 1.283 57.507 56.100 0.208 0.000 0.976 19 R CB -0.127 30.353 30.300 0.301 0.000 0.870 19 R HN 0.506 nan 8.270 nan 0.000 0.445 20 A N 0.331 123.223 122.820 0.119 0.000 1.933 20 A HA -0.134 4.186 4.320 -0.001 0.000 0.218 20 A C 2.099 179.725 177.584 0.070 0.000 1.175 20 A CA 1.780 53.871 52.037 0.090 0.000 0.628 20 A CB -0.627 18.402 19.000 0.049 0.000 0.814 20 A HN 0.235 nan 8.150 nan 0.000 0.444 21 T N -0.006 114.573 114.554 0.040 0.000 2.812 21 T HA -0.084 4.265 4.350 -0.001 0.000 0.264 21 T C 1.822 176.525 174.700 0.005 0.000 1.042 21 T CA 1.324 63.431 62.100 0.012 0.000 1.140 21 T CB -0.323 68.538 68.868 -0.011 0.000 0.870 21 T HN 0.293 nan 8.240 nan 0.000 0.445 22 L N 1.756 122.972 121.223 -0.012 0.000 2.012 22 L HA -0.003 4.336 4.340 -0.001 0.000 0.210 22 L C 2.616 179.510 176.870 0.040 0.000 1.073 22 L CA 2.040 56.825 54.840 -0.091 0.000 0.748 22 L CB -1.151 40.690 42.059 -0.365 0.000 0.891 22 L HN 0.229 nan 8.230 nan 0.000 0.431 23 A N -1.389 121.566 122.820 0.224 0.000 1.902 23 A HA -0.268 4.051 4.320 -0.001 0.000 0.217 23 A C 2.247 179.896 177.584 0.108 0.000 1.181 23 A CA 1.858 54.057 52.037 0.270 0.000 0.623 23 A CB -0.625 18.517 19.000 0.237 0.000 0.818 23 A HN 0.657 nan 8.150 nan 0.000 0.443 24 Q N -0.906 118.932 119.800 0.062 0.000 2.084 24 Q HA -0.147 4.192 4.340 -0.001 0.000 0.202 24 Q C 2.464 178.462 176.000 -0.003 0.000 0.978 24 Q CA 1.428 57.240 55.803 0.016 0.000 0.844 24 Q CB -0.348 28.393 28.738 0.005 0.000 0.898 24 Q HN 0.696 nan 8.270 nan 0.000 0.426 25 A N 0.649 123.468 122.820 -0.000 0.000 1.902 25 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 25 A C 2.048 179.629 177.584 -0.004 0.000 1.181 25 A CA 1.406 53.436 52.037 -0.012 0.000 0.623 25 A CB -0.501 18.486 19.000 -0.021 0.000 0.818 25 A HN 0.306 nan 8.150 nan 0.000 0.443 26 M N -0.920 118.689 119.600 0.015 0.000 2.080 26 M HA -0.146 4.333 4.480 -0.001 0.000 0.260 26 M C 2.274 178.586 176.300 0.020 0.000 1.068 26 M CA 2.064 57.382 55.300 0.029 0.000 1.109 26 M CB -0.988 31.658 32.600 0.077 0.000 1.342 26 M HN 0.414 nan 8.290 nan 0.000 0.405 27 T N 1.398 115.961 114.554 0.014 0.000 2.720 27 T HA -0.161 4.188 4.350 -0.001 0.000 0.268 27 T C 1.714 176.392 174.700 -0.037 0.000 1.037 27 T CA 1.349 63.445 62.100 -0.007 0.000 1.144 27 T CB -0.355 68.504 68.868 -0.015 0.000 0.864 27 T HN 0.243 nan 8.240 nan 0.000 0.444 28 L N 1.268 122.452 121.223 -0.064 0.000 2.012 28 L HA -0.045 4.294 4.340 -0.001 0.000 0.210 28 L C 2.406 179.265 176.870 -0.017 0.000 1.073 28 L CA 1.538 56.317 54.840 -0.102 0.000 0.748 28 L CB -0.684 41.319 42.059 -0.092 0.000 0.891 28 L HN 0.077 nan 8.230 nan 0.000 0.431 29 V N -0.327 119.589 119.914 0.003 0.000 2.594 29 V HA -0.249 3.870 4.120 -0.001 0.000 0.253 29 V C 2.256 178.373 176.094 0.038 0.000 1.069 29 V CA 1.907 64.222 62.300 0.024 0.000 1.082 29 V CB -0.727 31.105 31.823 0.015 0.000 0.680 29 V HN 0.531 nan 8.190 nan 0.000 0.469 30 E N -0.480 119.739 120.200 0.033 0.000 2.478 30 E HA 0.056 4.405 4.350 -0.001 0.000 0.194 30 E C 1.080 177.719 176.600 0.064 0.000 1.045 30 E CA -0.033 56.393 56.400 0.043 0.000 0.868 30 E CB 0.286 30.006 29.700 0.033 0.000 0.885 30 E HN 0.432 nan 8.360 nan 0.000 0.505 31 S N 0.535 116.286 115.700 0.084 0.000 2.548 31 S HA 0.124 4.594 4.470 -0.001 0.000 0.277 31 S C 0.842 175.545 174.600 0.172 0.000 1.315 31 S CA -0.341 57.955 58.200 0.160 0.000 1.050 31 S CB 0.677 64.043 63.200 0.276 0.000 0.918 31 S HN 0.138 nan 8.310 nan 0.000 0.497 32 R N 1.565 122.161 120.500 0.161 0.000 2.334 32 R HA 0.067 4.406 4.340 -0.001 0.000 0.216 32 R C -0.101 176.280 176.300 0.134 0.000 0.905 32 R CA -0.110 56.064 56.100 0.123 0.000 1.064 32 R CB -0.153 30.201 30.300 0.089 0.000 1.046 32 R HN 0.699 nan 8.270 nan 0.000 0.508 33 H N 2.238 121.340 119.070 0.053 0.000 3.046 33 H HA 0.034 4.589 4.556 -0.001 0.000 0.303 33 H C -1.718 173.565 175.328 -0.076 0.000 1.002 33 H CA -1.834 54.169 56.048 -0.075 0.000 1.460 33 H CB 1.107 30.688 29.762 -0.300 0.000 1.493 33 H HN -0.154 nan 8.280 nan 0.000 0.559 34 P HA -0.232 nan 4.420 nan 0.000 0.217 34 P C 1.521 178.651 177.300 -0.283 0.000 1.151 34 P CA 1.627 64.565 63.100 -0.269 0.000 0.849 34 P CB 0.154 31.706 31.700 -0.247 0.000 0.787 35 R N -0.940 119.240 120.500 -0.533 0.000 2.075 35 R HA -0.156 4.183 4.340 -0.001 0.000 0.232 35 R C 2.148 178.434 176.300 -0.024 0.000 1.126 35 R CA 1.563 57.504 56.100 -0.265 0.000 0.963 35 R CB -0.649 29.484 30.300 -0.279 0.000 0.858 35 R HN 0.335 nan 8.270 nan 0.000 0.435 36 H N -0.429 118.649 119.070 0.013 0.000 2.389 36 H HA -0.074 4.481 4.556 -0.001 0.000 0.299 36 H C 2.247 177.593 175.328 0.031 0.000 1.081 36 H CA 1.302 57.388 56.048 0.064 0.000 1.345 36 H CB 0.157 29.991 29.762 0.120 0.000 1.393 36 H HN 0.372 nan 8.280 nan 0.000 0.520 37 Q N 0.427 120.303 119.800 0.127 0.000 2.084 37 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 37 Q C 2.622 178.653 176.000 0.051 0.000 0.978 37 Q CA 1.166 57.013 55.803 0.073 0.000 0.844 37 Q CB -0.025 28.738 28.738 0.041 0.000 0.898 37 Q HN 0.477 nan 8.270 nan 0.000 0.426 38 A N 0.573 123.411 122.820 0.031 0.000 1.897 38 A HA -0.139 4.180 4.320 -0.001 0.000 0.215 38 A C 2.004 179.612 177.584 0.041 0.000 1.181 38 A CA 0.939 52.992 52.037 0.026 0.000 0.620 38 A CB -0.497 18.506 19.000 0.005 0.000 0.821 38 A HN 0.336 nan 8.150 nan 0.000 0.443 39 L N -0.190 121.069 121.223 0.060 0.000 2.093 39 L HA -0.063 4.276 4.340 -0.001 0.000 0.208 39 L C 2.477 179.379 176.870 0.054 0.000 1.085 39 L CA 2.284 57.161 54.840 0.062 0.000 0.755 39 L CB -0.566 41.545 42.059 0.088 0.000 0.904 39 L HN 0.276 nan 8.230 nan 0.000 0.435 40 S N -1.108 114.628 115.700 0.061 0.000 2.368 40 S HA -0.191 4.278 4.470 -0.001 0.000 0.225 40 S C 1.804 176.428 174.600 0.040 0.000 1.030 40 S CA 1.741 59.969 58.200 0.047 0.000 0.999 40 S CB -0.463 62.770 63.200 0.055 0.000 0.844 40 S HN 0.597 nan 8.310 nan 0.000 0.459 41 T N 2.427 117.006 114.554 0.042 0.000 2.720 41 T HA -0.162 4.188 4.350 -0.001 0.000 0.268 41 T C 1.917 176.638 174.700 0.035 0.000 1.037 41 T CA 1.344 63.467 62.100 0.038 0.000 1.144 41 T CB -0.337 68.553 68.868 0.038 0.000 0.864 41 T HN 0.469 nan 8.240 nan 0.000 0.444 42 Q N 0.044 119.865 119.800 0.035 0.000 2.084 42 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 42 Q C 2.387 178.409 176.000 0.037 0.000 0.978 42 Q CA 1.127 56.950 55.803 0.034 0.000 0.844 42 Q CB -0.360 28.398 28.738 0.033 0.000 0.898 42 Q HN 0.340 nan 8.270 nan 0.000 0.426 43 L N 0.622 121.866 121.223 0.036 0.000 2.017 43 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 43 L C 1.936 178.830 176.870 0.040 0.000 1.073 43 L CA 1.677 56.538 54.840 0.036 0.000 0.745 43 L CB -0.504 41.571 42.059 0.026 0.000 0.894 43 L HN 0.179 nan 8.230 nan 0.000 0.432 44 L N -0.578 120.664 121.223 0.031 0.000 2.046 44 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 44 L C 2.331 179.218 176.870 0.027 0.000 1.077 44 L CA 1.301 56.156 54.840 0.025 0.000 0.747 44 L CB -0.883 41.185 42.059 0.014 0.000 0.896 44 L HN 0.280 nan 8.230 nan 0.000 0.432 45 D N 0.336 120.753 120.400 0.028 0.000 2.104 45 D HA -0.206 4.433 4.640 -0.001 0.000 0.194 45 D C 2.220 178.536 176.300 0.027 0.000 0.994 45 D CA 1.686 55.700 54.000 0.023 0.000 0.830 45 D CB -0.126 40.688 40.800 0.023 0.000 0.959 45 D HN 0.336 nan 8.370 nan 0.000 0.452 46 A N 0.919 123.769 122.820 0.050 0.000 1.972 46 A HA -0.112 4.207 4.320 -0.001 0.000 0.219 46 A C 2.264 179.938 177.584 0.149 0.000 1.169 46 A CA 1.213 53.301 52.037 0.084 0.000 0.635 46 A CB -0.771 18.287 19.000 0.097 0.000 0.810 46 A HN 0.459 nan 8.150 nan 0.000 0.446 47 I N -4.404 116.256 120.570 0.151 0.000 3.578 47 I HA -0.017 4.152 4.170 -0.001 0.000 0.295 47 I C 1.736 177.926 176.117 0.121 0.000 1.280 47 I CA 0.297 61.764 61.300 0.278 0.000 1.347 47 I CB -0.247 37.870 38.000 0.195 0.000 1.051 47 I HN -0.007 nan 8.210 nan 0.000 0.460 48 M N 1.800 121.399 119.600 -0.002 0.000 2.106 48 M HA -0.087 4.392 4.480 -0.001 0.000 0.259 48 M C -0.102 176.114 176.300 -0.139 0.000 1.068 48 M CA 2.012 57.281 55.300 -0.052 0.000 1.100 48 M CB -2.756 29.816 32.600 -0.046 0.000 1.351 48 M HN 0.213 nan 8.290 nan 0.000 0.404 49 P HA -0.120 nan 4.420 nan 0.000 0.225 49 P C 0.771 177.813 177.300 -0.430 0.000 1.148 49 P CA 1.181 64.023 63.100 -0.431 0.000 0.779 49 P CB -0.283 31.044 31.700 -0.621 0.000 0.780 50 Y N -2.446 117.849 120.300 -0.008 0.000 2.466 50 Y HA 0.123 4.673 4.550 -0.001 0.000 0.272 50 Y C 1.467 177.362 175.900 -0.008 0.000 1.169 50 Y CA -0.778 57.316 58.100 -0.010 0.000 1.285 50 Y CB -1.086 37.366 38.460 -0.012 0.000 1.078 50 Y HN -0.074 nan 8.280 nan 0.000 0.523 51 C N -0.172 119.171 119.300 0.072 0.000 2.396 51 C HA 0.654 5.113 4.460 -0.001 0.000 0.359 51 C C 1.798 176.803 174.990 0.024 0.000 1.307 51 C CA 0.267 59.314 59.018 0.047 0.000 2.392 51 C CB 0.580 28.334 27.740 0.023 0.000 2.245 51 C HN 0.776 nan 8.230 nan 0.000 0.615 52 G N 1.178 109.992 108.800 0.024 0.000 2.159 52 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.227 52 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.227 52 G C -0.045 174.869 174.900 0.024 0.000 0.986 52 G CA 0.064 45.174 45.100 0.017 0.000 0.651 52 G HN 0.714 nan 8.290 nan 0.000 0.523 53 N N 0.990 119.711 118.700 0.034 0.000 2.541 53 N HA 0.271 5.010 4.740 -0.001 0.000 0.297 53 N C -0.674 174.864 175.510 0.048 0.000 1.503 53 N CA 0.332 53.403 53.050 0.036 0.000 0.919 53 N CB 1.018 39.524 38.487 0.032 0.000 1.305 53 N HN 0.278 nan 8.380 nan 0.000 0.501 54 T N 0.786 115.374 114.554 0.056 0.000 2.881 54 T HA 0.246 4.595 4.350 -0.001 0.000 0.290 54 T C -0.385 174.365 174.700 0.084 0.000 1.000 54 T CA -0.499 61.645 62.100 0.074 0.000 0.978 54 T CB 2.236 71.150 68.868 0.077 0.000 0.997 54 T HN 0.013 nan 8.240 nan 0.000 0.443 55 L N 4.278 125.568 121.223 0.111 0.000 2.433 55 L HA 0.375 4.715 4.340 -0.001 0.000 0.275 55 L C 0.018 176.965 176.870 0.129 0.000 1.128 55 L CA 0.289 55.210 54.840 0.135 0.000 0.875 55 L CB -0.176 42.002 42.059 0.199 0.000 1.171 55 L HN 0.507 nan 8.230 nan 0.000 0.463 56 R N 6.273 126.839 120.500 0.110 0.000 2.229 56 R HA 0.573 4.912 4.340 -0.001 0.000 0.332 56 R C -1.094 175.269 176.300 0.106 0.000 0.989 56 R CA -0.453 55.704 56.100 0.095 0.000 0.842 56 R CB 0.796 31.138 30.300 0.071 0.000 1.119 56 R HN 0.617 nan 8.270 nan 0.000 0.456 57 L N 1.628 122.920 121.223 0.114 0.000 2.334 57 L HA 0.632 4.972 4.340 -0.001 0.000 0.276 57 L C 0.608 177.538 176.870 0.100 0.000 1.014 57 L CA -0.973 53.930 54.840 0.105 0.000 0.815 57 L CB 2.105 44.254 42.059 0.150 0.000 1.268 57 L HN 0.670 nan 8.230 nan 0.000 0.428 58 G N 1.602 110.469 108.800 0.111 0.000 2.415 58 G HA2 0.618 4.577 3.960 -0.001 0.000 0.327 58 G HA3 0.618 4.577 3.960 -0.001 0.000 0.327 58 G C -1.184 173.712 174.900 -0.006 0.000 1.182 58 G CA -0.335 44.871 45.100 0.177 0.000 0.924 58 G HN 0.290 nan 8.290 nan 0.000 0.470 59 V N 1.952 121.865 119.914 -0.001 0.000 2.482 59 V HA 0.597 4.716 4.120 -0.001 0.000 0.295 59 V C 0.183 176.243 176.094 -0.057 0.000 1.026 59 V CA -0.718 61.502 62.300 -0.133 0.000 0.856 59 V CB 1.596 33.400 31.823 -0.033 0.000 1.001 59 V HN 1.073 nan 8.190 nan 0.000 0.424 60 T N 1.253 115.719 114.554 -0.146 0.000 2.918 60 T HA 0.881 5.230 4.350 -0.001 0.000 0.286 60 T C -0.007 174.633 174.700 -0.101 0.000 1.026 60 T CA -0.567 61.521 62.100 -0.020 0.000 1.031 60 T CB 2.093 71.047 68.868 0.144 0.000 1.046 60 T HN 0.989 nan 8.240 nan 0.000 0.479 61 G N 1.335 110.104 108.800 -0.051 0.000 2.662 61 G HA2 0.579 4.539 3.960 -0.001 0.000 0.302 61 G HA3 0.579 4.539 3.960 -0.001 0.000 0.302 61 G C -0.132 174.745 174.900 -0.037 0.000 1.389 61 G CA -0.750 44.303 45.100 -0.077 0.000 0.998 61 G HN 1.048 nan 8.290 nan 0.000 0.502 62 T N 0.636 115.163 114.554 -0.044 0.000 2.860 62 T HA 0.464 4.814 4.350 -0.001 0.000 0.299 62 T C -2.441 172.250 174.700 -0.015 0.000 1.045 62 T CA -1.268 60.821 62.100 -0.018 0.000 1.071 62 T CB 1.208 70.068 68.868 -0.013 0.000 0.985 62 T HN 0.209 nan 8.240 nan 0.000 0.537 63 P HA 0.255 nan 4.420 nan 0.000 0.261 63 P C 1.087 178.384 177.300 -0.005 0.000 1.183 63 P CA 1.174 64.273 63.100 -0.002 0.000 0.761 63 P CB -0.030 31.672 31.700 0.003 0.000 0.785 64 G N 2.961 111.758 108.800 -0.006 0.000 2.157 64 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.248 64 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.248 64 G C 0.941 175.831 174.900 -0.016 0.000 0.979 64 G CA 0.201 45.297 45.100 -0.006 0.000 0.650 64 G HN 0.694 nan 8.290 nan 0.000 0.529 65 A N 0.059 122.862 122.820 -0.027 0.000 2.208 65 A HA 0.568 4.887 4.320 -0.001 0.000 0.209 65 A C 2.409 179.964 177.584 -0.049 0.000 1.161 65 A CA 1.754 53.758 52.037 -0.054 0.000 0.782 65 A CB -0.402 18.547 19.000 -0.086 0.000 0.816 65 A HN 2.446 nan 8.150 nan 0.000 0.477 66 G N 0.080 108.871 108.800 -0.015 0.000 2.212 66 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.255 66 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.255 66 G C 0.732 175.663 174.900 0.052 0.000 1.062 66 G CA 0.825 45.935 45.100 0.017 0.000 0.815 66 G HN 0.633 nan 8.290 nan 0.000 0.497 67 K N 0.064 120.485 120.400 0.035 0.000 2.057 67 K HA -0.055 4.264 4.320 -0.001 0.000 0.207 67 K C 2.654 179.326 176.600 0.120 0.000 1.049 67 K CA 2.003 58.334 56.287 0.074 0.000 0.931 67 K CB -0.297 32.221 32.500 0.029 0.000 0.714 67 K HN 0.345 nan 8.250 nan 0.000 0.440 68 S N 0.152 115.893 115.700 0.069 0.000 2.359 68 S HA -0.165 4.304 4.470 -0.001 0.000 0.224 68 S C 2.037 176.669 174.600 0.053 0.000 1.035 68 S CA 1.969 60.199 58.200 0.050 0.000 1.018 68 S CB -0.603 62.612 63.200 0.026 0.000 0.876 68 S HN 0.724 nan 8.310 nan 0.000 0.448 69 T N 0.080 114.673 114.554 0.064 0.000 2.821 69 T HA -0.077 4.272 4.350 -0.001 0.000 0.267 69 T C 1.602 176.347 174.700 0.076 0.000 1.046 69 T CA 1.111 63.245 62.100 0.055 0.000 1.139 69 T CB -0.700 68.200 68.868 0.054 0.000 0.871 69 T HN 0.318 nan 8.240 nan 0.000 0.454 70 F N 2.188 122.134 119.950 -0.008 0.000 2.075 70 F HA 0.101 4.628 4.527 -0.001 0.000 0.297 70 F C 2.029 177.851 175.800 0.037 0.000 1.113 70 F CA 1.046 59.043 58.000 -0.004 0.000 1.218 70 F CB -0.541 38.428 39.000 -0.051 0.000 0.984 70 F HN 0.072 nan 8.300 nan 0.000 0.472 71 L N 0.252 121.450 121.223 -0.041 0.000 2.042 71 L HA -0.240 4.099 4.340 -0.001 0.000 0.210 71 L C 2.603 179.404 176.870 -0.115 0.000 1.076 71 L CA 1.982 56.766 54.840 -0.093 0.000 0.749 71 L CB -0.860 41.226 42.059 0.046 0.000 0.893 71 L HN 0.323 nan 8.230 nan 0.000 0.432 72 E N 0.305 120.457 120.200 -0.080 0.000 2.031 72 E HA -0.262 4.087 4.350 -0.001 0.000 0.193 72 E C 2.219 178.746 176.600 -0.121 0.000 0.994 72 E CA 1.308 57.660 56.400 -0.081 0.000 0.800 72 E CB -0.023 29.648 29.700 -0.048 0.000 0.752 72 E HN 0.450 nan 8.360 nan 0.000 0.447 73 A N 0.664 123.407 122.820 -0.129 0.000 1.883 73 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 73 A C 2.031 179.499 177.584 -0.194 0.000 1.186 73 A CA 1.478 53.435 52.037 -0.135 0.000 0.624 73 A CB -0.941 18.007 19.000 -0.086 0.000 0.822 73 A HN 0.511 nan 8.150 nan 0.000 0.444 74 F N 1.097 120.741 119.950 -0.510 0.000 2.102 74 F HA 0.010 4.536 4.527 -0.002 0.000 0.298 74 F C 2.346 177.907 175.800 -0.398 0.000 1.105 74 F CA 1.436 59.107 58.000 -0.548 0.000 1.239 74 F CB -0.831 37.623 39.000 -0.910 0.000 0.991 74 F HN 0.197 nan 8.300 nan 0.000 0.474 75 G N 0.459 109.059 108.800 -0.333 0.000 2.446 75 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.217 75 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.217 75 G C 1.580 176.279 174.900 -0.335 0.000 1.168 75 G CA 1.078 45.976 45.100 -0.337 0.000 0.771 75 G HN 0.259 nan 8.290 nan 0.000 0.551 76 M N 0.210 119.660 119.600 -0.251 0.000 2.159 76 M HA 0.090 4.569 4.480 -0.001 0.000 0.263 76 M C 2.495 178.645 176.300 -0.249 0.000 1.063 76 M CA 0.733 55.911 55.300 -0.203 0.000 1.110 76 M CB -1.204 31.313 32.600 -0.138 0.000 1.374 76 M HN 0.321 nan 8.290 nan 0.000 0.411 77 L N 0.187 121.216 121.223 -0.323 0.000 2.012 77 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 77 L C 2.217 178.798 176.870 -0.481 0.000 1.073 77 L CA 1.323 55.947 54.840 -0.359 0.000 0.748 77 L CB -0.248 41.583 42.059 -0.381 0.000 0.891 77 L HN 0.205 nan 8.230 nan 0.000 0.431 78 L N -0.449 120.354 121.223 -0.700 0.000 2.083 78 L HA -0.251 4.088 4.340 -0.001 0.000 0.209 78 L C 2.490 179.124 176.870 -0.394 0.000 1.083 78 L CA 1.412 55.813 54.840 -0.732 0.000 0.752 78 L CB -0.451 41.090 42.059 -0.863 0.000 0.899 78 L HN 0.303 nan 8.230 nan 0.000 0.433 79 I N -0.644 119.747 120.570 -0.299 0.000 2.252 79 I HA -0.258 3.912 4.170 -0.001 0.000 0.245 79 I C 2.742 178.773 176.117 -0.142 0.000 1.102 79 I CA 1.126 62.318 61.300 -0.179 0.000 1.385 79 I CB -0.267 37.651 38.000 -0.137 0.000 1.064 79 I HN 0.142 nan 8.210 nan 0.000 0.414 80 R N 0.582 120.992 120.500 -0.151 0.000 2.127 80 R HA -0.164 4.175 4.340 -0.001 0.000 0.238 80 R C 1.740 177.989 176.300 -0.084 0.000 1.134 80 R CA 1.055 57.093 56.100 -0.104 0.000 0.975 80 R CB -0.206 30.035 30.300 -0.099 0.000 0.865 80 R HN 0.345 nan 8.270 nan 0.000 0.447 81 E N -0.489 119.641 120.200 -0.116 0.000 2.516 81 E HA -0.024 4.325 4.350 -0.001 0.000 0.199 81 E C 0.932 177.509 176.600 -0.038 0.000 1.069 81 E CA 0.783 57.151 56.400 -0.053 0.000 0.876 81 E CB 0.294 29.963 29.700 -0.052 0.000 0.843 81 E HN 0.560 nan 8.360 nan 0.000 0.530 82 G N 1.187 109.949 108.800 -0.064 0.000 2.137 82 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.237 82 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.237 82 G C 0.149 175.014 174.900 -0.058 0.000 1.002 82 G CA 0.259 45.329 45.100 -0.051 0.000 0.702 82 G HN 0.197 nan 8.290 nan 0.000 0.515 83 L N -0.698 120.471 121.223 -0.089 0.000 2.352 83 L HA 0.612 4.951 4.340 -0.001 0.000 0.269 83 L C 0.639 177.459 176.870 -0.084 0.000 1.034 83 L CA -0.980 53.809 54.840 -0.085 0.000 0.806 83 L CB 1.313 43.304 42.059 -0.114 0.000 1.244 83 L HN -0.010 nan 8.230 nan 0.000 0.447 84 K N 1.333 121.695 120.400 -0.062 0.000 2.213 84 K HA 0.566 4.885 4.320 -0.001 0.000 0.270 84 K C -1.246 175.450 176.600 0.161 0.000 1.002 84 K CA -0.503 55.773 56.287 -0.019 0.000 0.868 84 K CB 1.939 34.286 32.500 -0.256 0.000 1.093 84 K HN 0.212 nan 8.250 nan 0.000 0.454 85 V N 2.085 122.133 119.914 0.224 0.000 2.540 85 V HA 0.619 4.738 4.120 -0.001 0.000 0.302 85 V C -0.538 175.633 176.094 0.128 0.000 1.035 85 V CA -0.915 61.470 62.300 0.143 0.000 0.873 85 V CB 1.650 33.448 31.823 -0.041 0.000 0.992 85 V HN 0.900 nan 8.190 nan 0.000 0.428 86 A N 4.121 126.916 122.820 -0.043 0.000 2.350 86 A HA 0.910 5.229 4.320 -0.001 0.000 0.324 86 A C -1.001 176.550 177.584 -0.055 0.000 1.118 86 A CA -0.600 51.316 52.037 -0.202 0.000 0.783 86 A CB 1.811 20.484 19.000 -0.545 0.000 1.236 86 A HN 0.682 nan 8.150 nan 0.000 0.457 87 V N 3.764 123.670 119.914 -0.015 0.000 2.444 87 V HA 0.340 4.459 4.120 -0.001 0.000 0.294 87 V C -0.786 175.316 176.094 0.013 0.000 1.022 87 V CA -0.446 61.858 62.300 0.006 0.000 0.850 87 V CB 1.416 33.242 31.823 0.005 0.000 0.992 87 V HN 0.699 nan 8.190 nan 0.000 0.426 88 I N 4.414 124.994 120.570 0.017 0.000 2.330 88 I HA 0.496 4.665 4.170 -0.001 0.000 0.286 88 I C 0.618 176.748 176.117 0.022 0.000 1.025 88 I CA -0.399 60.913 61.300 0.019 0.000 1.197 88 I CB 1.297 39.306 38.000 0.014 0.000 1.358 88 I HN 0.680 nan 8.210 nan 0.000 0.467 89 A N 7.594 130.423 122.820 0.015 0.000 2.478 89 A HA 0.561 4.880 4.320 -0.001 0.000 0.327 89 A C -0.078 177.516 177.584 0.017 0.000 1.431 89 A CA -0.417 51.629 52.037 0.015 0.000 1.014 89 A CB 0.150 19.152 19.000 0.004 0.000 1.143 89 A HN 0.436 nan 8.150 nan 0.000 0.532 90 V N 3.139 123.068 119.914 0.025 0.000 2.498 90 V HA 0.116 4.235 4.120 -0.001 0.000 0.279 90 V C 0.204 176.312 176.094 0.024 0.000 1.048 90 V CA -0.465 61.850 62.300 0.025 0.000 0.967 90 V CB 1.217 33.058 31.823 0.031 0.000 0.988 90 V HN 0.869 nan 8.190 nan 0.000 0.473 91 D N 5.746 126.158 120.400 0.020 0.000 2.382 91 D HA 0.290 4.929 4.640 -0.001 0.000 0.245 91 D C -2.349 173.964 176.300 0.021 0.000 1.120 91 D CA -0.487 53.524 54.000 0.018 0.000 0.890 91 D CB 0.759 41.568 40.800 0.016 0.000 1.201 91 D HN 0.396 nan 8.370 nan 0.000 0.433 92 P HA 0.075 nan 4.420 nan 0.000 0.269 92 P C -0.413 176.897 177.300 0.018 0.000 1.209 92 P CA -0.255 62.857 63.100 0.020 0.000 0.776 92 P CB 0.715 32.425 31.700 0.017 0.000 0.876 110 D N -0.536 119.842 120.400 -0.036 0.000 2.144 110 D HA -0.064 4.575 4.640 -0.001 0.000 0.199 110 D C 1.550 177.822 176.300 -0.047 0.000 0.984 110 D CA 0.972 54.948 54.000 -0.040 0.000 0.834 110 D CB 0.160 40.934 40.800 -0.042 0.000 0.955 110 D HN 0.331 nan 8.370 nan 0.000 0.465 111 L N 1.302 122.493 121.223 -0.053 0.000 2.083 111 L HA -0.082 4.258 4.340 -0.001 0.000 0.209 111 L C 2.290 179.130 176.870 -0.050 0.000 1.083 111 L CA 1.363 56.169 54.840 -0.057 0.000 0.752 111 L CB -0.704 41.319 42.059 -0.060 0.000 0.899 111 L HN -0.096 nan 8.230 nan 0.000 0.433 112 A N -0.712 122.077 122.820 -0.052 0.000 2.024 112 A HA -0.206 4.113 4.320 -0.001 0.000 0.220 112 A C 2.334 179.886 177.584 -0.052 0.000 1.164 112 A CA 1.694 53.695 52.037 -0.061 0.000 0.643 112 A CB -0.492 18.472 19.000 -0.059 0.000 0.806 112 A HN 0.512 nan 8.150 nan 0.000 0.451 113 R N -0.692 119.783 120.500 -0.042 0.000 2.300 113 R HA 0.291 4.630 4.340 -0.001 0.000 0.199 113 R C 0.600 176.883 176.300 -0.028 0.000 0.920 113 R CA 0.354 56.433 56.100 -0.034 0.000 1.046 113 R CB -0.031 30.250 30.300 -0.031 0.000 0.984 113 R HN 0.408 nan 8.270 nan 0.000 0.493 114 A N 1.440 124.243 122.820 -0.028 0.000 2.362 114 A HA 0.098 4.417 4.320 -0.001 0.000 0.276 114 A C 0.528 178.113 177.584 0.002 0.000 1.153 114 A CA -0.347 51.678 52.037 -0.021 0.000 0.813 114 A CB 0.455 19.436 19.000 -0.031 0.000 1.081 114 A HN 0.245 nan 8.150 nan 0.000 0.507 115 E N 2.296 122.500 120.200 0.006 0.000 2.274 115 E HA -0.095 4.254 4.350 -0.001 0.000 0.194 115 E C 1.610 178.244 176.600 0.056 0.000 0.996 115 E CA 1.004 57.421 56.400 0.028 0.000 0.840 115 E CB 0.040 29.748 29.700 0.013 0.000 0.772 115 E HN 0.803 nan 8.360 nan 0.000 0.491 116 A N 0.796 123.636 122.820 0.035 0.000 2.278 116 A HA 0.390 4.710 4.320 -0.001 0.000 0.212 116 A C 0.813 178.474 177.584 0.127 0.000 1.213 116 A CA 0.261 52.324 52.037 0.043 0.000 0.840 116 A CB 0.083 19.074 19.000 -0.016 0.000 0.866 116 A HN 0.181 nan 8.150 nan 0.000 0.489 117 A N -1.099 121.801 122.820 0.133 0.000 2.313 117 A HA 0.824 5.143 4.320 -0.001 0.000 0.323 117 A C -1.037 176.692 177.584 0.241 0.000 1.133 117 A CA -0.574 51.560 52.037 0.161 0.000 0.847 117 A CB 0.922 19.946 19.000 0.039 0.000 1.308 117 A HN 0.708 nan 8.150 nan 0.000 0.475 118 F N 0.261 120.190 119.950 -0.034 0.000 2.651 118 F HA 0.595 5.122 4.527 -0.001 0.000 0.329 118 F C -1.490 174.229 175.800 -0.134 0.000 1.186 118 F CA -0.359 57.580 58.000 -0.100 0.000 1.046 118 F CB 1.269 40.127 39.000 -0.236 0.000 1.296 118 F HN 0.418 nan 8.300 nan 0.000 0.497 119 I N 5.722 126.099 120.570 -0.322 0.000 2.406 119 I HA 0.579 4.748 4.170 -0.001 0.000 0.290 119 I C -0.797 175.176 176.117 -0.240 0.000 0.999 119 I CA -0.776 60.413 61.300 -0.184 0.000 1.124 119 I CB 2.013 39.929 38.000 -0.140 0.000 1.289 119 I HN 0.471 nan 8.210 nan 0.000 0.441 120 R N 8.237 128.692 120.500 -0.075 0.000 2.538 120 R HA 0.567 4.906 4.340 -0.001 0.000 0.292 120 R C -2.906 173.387 176.300 -0.011 0.000 1.008 120 R CA -1.778 54.298 56.100 -0.040 0.000 0.896 120 R CB 2.094 32.447 30.300 0.088 0.000 1.187 120 R HN 0.226 nan 8.270 nan 0.000 0.440 121 P HA 0.209 nan 4.420 nan 0.000 0.282 121 P C -0.992 176.312 177.300 0.007 0.000 1.249 121 P CA -0.383 62.713 63.100 -0.006 0.000 0.806 121 P CB 1.538 33.230 31.700 -0.013 0.000 0.984 122 V N 4.651 124.573 119.914 0.012 0.000 2.378 122 V HA 0.296 4.416 4.120 -0.001 0.000 0.288 122 V C -2.011 174.094 176.094 0.018 0.000 1.016 122 V CA -2.085 60.225 62.300 0.017 0.000 0.840 122 V CB 1.394 33.229 31.823 0.020 0.000 0.994 122 V HN 0.566 nan 8.190 nan 0.000 0.431 123 P HA 0.181 nan 4.420 nan 0.000 0.271 123 P C 0.347 177.661 177.300 0.023 0.000 1.216 123 P CA 0.132 63.243 63.100 0.019 0.000 0.776 123 P CB 0.776 32.488 31.700 0.020 0.000 0.881 131 A N 0.349 123.208 122.820 0.065 0.000 2.019 131 A HA 0.201 4.520 4.320 -0.001 0.000 0.219 131 A C 2.491 180.109 177.584 0.056 0.000 1.164 131 A CA 2.775 54.843 52.037 0.052 0.000 0.644 131 A CB -0.689 18.335 19.000 0.040 0.000 0.805 131 A HN 0.871 nan 8.150 nan 0.000 0.449 132 S N -0.906 114.844 115.700 0.084 0.000 2.355 132 S HA -0.226 4.244 4.470 -0.001 0.000 0.222 132 S C 2.229 176.880 174.600 0.083 0.000 1.031 132 S CA 1.650 59.911 58.200 0.100 0.000 0.993 132 S CB -0.309 62.991 63.200 0.167 0.000 0.859 132 S HN 0.742 nan 8.310 nan 0.000 0.453 133 Q N 0.108 120.009 119.800 0.168 0.000 2.084 133 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 133 Q C 2.272 178.265 176.000 -0.011 0.000 0.978 133 Q CA 1.504 57.368 55.803 0.101 0.000 0.844 133 Q CB -0.163 28.758 28.738 0.304 0.000 0.898 133 Q HN 0.268 nan 8.270 nan 0.000 0.426 134 R N 0.516 121.034 120.500 0.030 0.000 2.073 134 R HA -0.082 4.257 4.340 -0.001 0.000 0.234 134 R C 2.019 178.310 176.300 -0.014 0.000 1.134 134 R CA 1.868 57.975 56.100 0.011 0.000 0.952 134 R CB -1.054 29.264 30.300 0.030 0.000 0.850 134 R HN 0.384 nan 8.270 nan 0.000 0.433 135 A N 0.651 123.463 122.820 -0.013 0.000 1.883 135 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 135 A C 2.250 179.799 177.584 -0.058 0.000 1.186 135 A CA 1.836 53.860 52.037 -0.021 0.000 0.624 135 A CB -0.526 18.471 19.000 -0.006 0.000 0.822 135 A HN 0.400 nan 8.150 nan 0.000 0.444 136 R N -0.457 119.975 120.500 -0.112 0.000 2.083 136 R HA -0.153 4.186 4.340 -0.001 0.000 0.237 136 R C 2.191 178.402 176.300 -0.148 0.000 1.137 136 R CA 1.721 57.713 56.100 -0.179 0.000 0.951 136 R CB -0.372 29.709 30.300 -0.365 0.000 0.851 136 R HN 0.708 nan 8.270 nan 0.000 0.434 137 E N 0.613 120.736 120.200 -0.129 0.000 2.077 137 E HA -0.164 4.185 4.350 -0.001 0.000 0.193 137 E C 2.085 178.652 176.600 -0.057 0.000 0.989 137 E CA 0.997 57.345 56.400 -0.087 0.000 0.800 137 E CB -0.087 29.579 29.700 -0.058 0.000 0.746 137 E HN 0.298 nan 8.360 nan 0.000 0.452 138 L N 0.224 121.421 121.223 -0.044 0.000 2.083 138 L HA -0.178 4.161 4.340 -0.001 0.000 0.209 138 L C 2.563 179.401 176.870 -0.053 0.000 1.083 138 L CA 0.956 55.775 54.840 -0.035 0.000 0.752 138 L CB -0.391 41.661 42.059 -0.011 0.000 0.899 138 L HN 0.224 nan 8.230 nan 0.000 0.433 139 M N -0.379 119.190 119.600 -0.053 0.000 2.080 139 M HA -0.241 4.238 4.480 -0.001 0.000 0.260 139 M C 2.325 178.599 176.300 -0.044 0.000 1.068 139 M CA 1.814 57.084 55.300 -0.050 0.000 1.109 139 M CB -0.415 32.158 32.600 -0.044 0.000 1.342 139 M HN 0.222 nan 8.290 nan 0.000 0.405 140 L N -0.035 121.159 121.223 -0.049 0.000 2.042 140 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 140 L C 2.389 179.248 176.870 -0.018 0.000 1.076 140 L CA 1.269 56.090 54.840 -0.031 0.000 0.749 140 L CB -0.745 41.288 42.059 -0.042 0.000 0.893 140 L HN 0.358 nan 8.230 nan 0.000 0.432 141 L N -1.079 120.122 121.223 -0.037 0.000 2.046 141 L HA -0.268 4.071 4.340 -0.001 0.000 0.208 141 L C 2.760 179.593 176.870 -0.062 0.000 1.077 141 L CA 1.256 56.067 54.840 -0.048 0.000 0.747 141 L CB -0.666 41.352 42.059 -0.068 0.000 0.896 141 L HN 0.405 nan 8.230 nan 0.000 0.432 142 C N -0.246 118.997 119.300 -0.094 0.000 2.425 142 C HA -0.140 4.319 4.460 -0.001 0.000 0.277 142 C C 2.639 177.684 174.990 0.091 0.000 1.280 142 C CA 0.594 59.560 59.018 -0.087 0.000 1.744 142 C CB -0.801 26.811 27.740 -0.213 0.000 1.989 142 C HN 0.514 nan 8.230 nan 0.000 0.491 143 E N 1.013 121.241 120.200 0.048 0.000 2.051 143 E HA -0.165 4.184 4.350 -0.001 0.000 0.192 143 E C 2.405 179.047 176.600 0.070 0.000 0.991 143 E CA 1.388 57.829 56.400 0.068 0.000 0.799 143 E CB -0.295 29.431 29.700 0.044 0.000 0.748 143 E HN 0.664 nan 8.360 nan 0.000 0.449 144 A N 1.342 124.198 122.820 0.060 0.000 1.972 144 A HA -0.067 4.252 4.320 -0.001 0.000 0.219 144 A C 2.288 179.873 177.584 0.001 0.000 1.169 144 A CA 1.491 53.566 52.037 0.063 0.000 0.635 144 A CB -0.424 18.619 19.000 0.071 0.000 0.810 144 A HN 0.273 nan 8.150 nan 0.000 0.446 145 A N -1.792 121.038 122.820 0.015 0.000 2.209 145 A HA 0.381 4.700 4.320 -0.001 0.000 0.212 145 A C 1.795 179.332 177.584 -0.079 0.000 1.158 145 A CA 1.298 53.331 52.037 -0.006 0.000 0.742 145 A CB -0.918 18.129 19.000 0.078 0.000 0.790 145 A HN 1.898 nan 8.150 nan 0.000 0.472 146 G N -2.530 106.247 108.800 -0.039 0.000 2.131 146 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.223 146 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.223 146 G C -0.036 174.750 174.900 -0.190 0.000 0.990 146 G CA 0.031 45.065 45.100 -0.111 0.000 0.671 146 G HN 0.414 nan 8.290 nan 0.000 0.521 147 Y N 1.191 121.459 120.300 -0.053 0.000 2.597 147 Y HA 0.188 4.737 4.550 -0.002 0.000 0.336 147 Y C 1.724 177.614 175.900 -0.016 0.000 1.216 147 Y CA 0.653 58.728 58.100 -0.042 0.000 1.463 147 Y CB 0.561 38.990 38.460 -0.052 0.000 1.303 147 Y HN 0.132 nan 8.280 nan 0.000 0.576 148 D N 1.280 121.729 120.400 0.081 0.000 2.162 148 D HA -0.001 4.638 4.640 -0.001 0.000 0.203 148 D C -0.346 176.018 176.300 0.107 0.000 0.967 148 D CA 1.174 55.215 54.000 0.069 0.000 0.840 148 D CB 0.415 41.235 40.800 0.033 0.000 0.972 148 D HN 0.147 nan 8.370 nan 0.000 0.482 149 V N 1.562 121.545 119.914 0.115 0.000 2.623 149 V HA 0.270 4.389 4.120 -0.001 0.000 0.304 149 V C -0.282 175.873 176.094 0.101 0.000 1.054 149 V CA -0.958 61.406 62.300 0.107 0.000 0.882 149 V CB 2.465 34.315 31.823 0.045 0.000 1.002 149 V HN -0.048 nan 8.190 nan 0.000 0.424 150 V N 3.224 123.191 119.914 0.089 0.000 2.448 150 V HA 0.717 4.836 4.120 -0.001 0.000 0.295 150 V C -0.571 175.564 176.094 0.067 0.000 1.025 150 V CA -0.564 61.764 62.300 0.047 0.000 0.859 150 V CB 1.628 33.461 31.823 0.017 0.000 0.988 150 V HN 0.682 nan 8.190 nan 0.000 0.431 151 I N 4.856 125.462 120.570 0.060 0.000 2.362 151 I HA 0.468 4.637 4.170 -0.001 0.000 0.289 151 I C -0.433 175.720 176.117 0.060 0.000 0.994 151 I CA -0.853 60.497 61.300 0.084 0.000 1.158 151 I CB 2.005 40.072 38.000 0.112 0.000 1.315 151 I HN 0.424 nan 8.210 nan 0.000 0.451 152 V N 6.241 126.195 119.914 0.067 0.000 2.407 152 V HA 0.314 4.433 4.120 -0.001 0.000 0.278 152 V C -0.184 175.955 176.094 0.074 0.000 1.037 152 V CA -0.338 61.998 62.300 0.060 0.000 0.900 152 V CB 1.417 33.276 31.823 0.059 0.000 0.983 152 V HN 0.861 nan 8.190 nan 0.000 0.459 153 E N 3.003 123.240 120.200 0.061 0.000 2.317 153 E HA 0.835 5.184 4.350 -0.001 0.000 0.270 153 E C -0.666 175.968 176.600 0.056 0.000 0.885 153 E CA -0.660 55.778 56.400 0.063 0.000 0.760 153 E CB 2.413 32.147 29.700 0.056 0.000 1.227 153 E HN 0.452 nan 8.360 nan 0.000 0.434 154 T N 0.535 115.125 114.554 0.061 0.000 2.739 154 T HA 0.348 4.697 4.350 -0.001 0.000 0.303 154 T C -1.208 173.520 174.700 0.046 0.000 1.389 154 T CA -0.669 61.461 62.100 0.050 0.000 1.001 154 T CB 1.159 70.058 68.868 0.052 0.000 1.436 154 T HN 0.420 nan 8.240 nan 0.000 0.500 155 V N 1.883 121.818 119.914 0.035 0.000 2.637 155 V HA 0.467 4.586 4.120 -0.001 0.000 0.296 155 V C 1.340 177.458 176.094 0.040 0.000 1.046 155 V CA 0.212 62.529 62.300 0.028 0.000 1.066 155 V CB 0.964 32.800 31.823 0.021 0.000 0.968 155 V HN 0.988 nan 8.190 nan 0.000 0.483 156 G N 3.444 112.266 108.800 0.036 0.000 2.391 156 G HA2 0.493 4.452 3.960 -0.001 0.000 0.305 156 G HA3 0.493 4.452 3.960 -0.001 0.000 0.305 156 G C -0.844 174.078 174.900 0.036 0.000 1.072 156 G CA -0.097 45.035 45.100 0.052 0.000 1.016 156 G HN 0.734 nan 8.290 nan 0.000 0.418 157 V N 2.540 122.475 119.914 0.035 0.000 3.023 157 V HA 0.721 4.840 4.120 -0.001 0.000 0.294 157 V C 0.894 177.001 176.094 0.021 0.000 1.324 157 V CA 0.987 63.302 62.300 0.025 0.000 0.979 157 V CB 1.389 33.223 31.823 0.020 0.000 1.093 157 V HN 2.018 nan 8.190 nan 0.000 0.434 158 G N 5.050 113.860 108.800 0.017 0.000 2.634 158 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.318 158 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.318 158 G C 0.422 175.327 174.900 0.008 0.000 1.207 158 G CA 1.050 46.156 45.100 0.010 0.000 0.987 158 G HN 1.759 nan 8.290 nan 0.000 0.547 159 Q N 0.898 120.699 119.800 0.001 0.000 2.172 159 Q HA 0.309 4.648 4.340 -0.001 0.000 0.217 159 Q C 1.955 177.943 176.000 -0.021 0.000 0.832 159 Q CA 1.329 57.124 55.803 -0.012 0.000 1.010 159 Q CB 0.105 28.832 28.738 -0.017 0.000 1.133 159 Q HN 1.164 nan 8.270 nan 0.000 0.489 160 S N 0.641 116.340 115.700 -0.002 0.000 2.399 160 S HA -0.185 4.284 4.470 -0.001 0.000 0.231 160 S C 1.301 175.887 174.600 -0.023 0.000 1.022 160 S CA 1.184 59.386 58.200 0.004 0.000 0.983 160 S CB -0.042 63.177 63.200 0.032 0.000 0.803 160 S HN 0.313 nan 8.310 nan 0.000 0.480 161 E N 1.752 121.937 120.200 -0.024 0.000 2.058 161 E HA -0.101 4.248 4.350 -0.001 0.000 0.194 161 E C 2.566 178.887 176.600 -0.465 0.000 0.997 161 E CA 1.910 58.216 56.400 -0.157 0.000 0.801 161 E CB -0.894 28.817 29.700 0.018 0.000 0.746 161 E HN 0.900 nan 8.360 nan 0.000 0.450 162 T N -1.175 113.228 114.554 -0.252 0.000 2.821 162 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 162 T C 1.677 176.266 174.700 -0.185 0.000 1.046 162 T CA 1.204 63.163 62.100 -0.234 0.000 1.139 162 T CB -0.235 68.558 68.868 -0.125 0.000 0.871 162 T HN 0.116 nan 8.240 nan 0.000 0.454 163 E N 0.813 120.940 120.200 -0.120 0.000 2.051 163 E HA -0.059 4.291 4.350 -0.001 0.000 0.192 163 E C 2.420 178.981 176.600 -0.064 0.000 0.991 163 E CA 1.215 57.581 56.400 -0.057 0.000 0.799 163 E CB -0.338 29.352 29.700 -0.017 0.000 0.748 163 E HN 0.329 nan 8.360 nan 0.000 0.449 164 V N 1.391 121.246 119.914 -0.098 0.000 2.358 164 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 164 V C 2.322 178.346 176.094 -0.118 0.000 1.047 164 V CA 1.748 64.019 62.300 -0.049 0.000 1.035 164 V CB -0.722 31.147 31.823 0.076 0.000 0.658 164 V HN 0.331 nan 8.190 nan 0.000 0.452 165 A N -0.036 122.549 122.820 -0.391 0.000 1.978 165 A HA -0.239 4.080 4.320 -0.001 0.000 0.220 165 A C 2.313 179.837 177.584 -0.099 0.000 1.170 165 A CA 1.690 53.504 52.037 -0.372 0.000 0.636 165 A CB -0.517 18.128 19.000 -0.591 0.000 0.810 165 A HN 0.525 nan 8.150 nan 0.000 0.448 166 R N -0.746 119.711 120.500 -0.072 0.000 2.280 166 R HA 0.008 4.347 4.340 -0.001 0.000 0.207 166 R C 1.617 177.938 176.300 0.034 0.000 1.043 166 R CA 1.272 57.376 56.100 0.006 0.000 1.006 166 R CB -0.285 30.032 30.300 0.029 0.000 0.885 166 R HN 0.865 nan 8.270 nan 0.000 0.467 167 M N -1.491 118.121 119.600 0.019 0.000 2.412 167 M HA 0.235 4.714 4.480 -0.001 0.000 0.315 167 M C -0.263 176.057 176.300 0.034 0.000 1.092 167 M CA -0.291 55.016 55.300 0.012 0.000 0.974 167 M CB 1.055 33.642 32.600 -0.022 0.000 1.437 167 M HN -0.187 nan 8.290 nan 0.000 0.524 168 V N -3.383 116.572 119.914 0.067 0.000 3.040 168 V HA 0.545 4.665 4.120 -0.001 0.000 0.312 168 V C -0.175 175.990 176.094 0.118 0.000 1.115 168 V CA -0.643 61.713 62.300 0.093 0.000 0.998 168 V CB 1.910 33.808 31.823 0.126 0.000 1.042 168 V HN 0.112 nan 8.190 nan 0.000 0.433 169 D N 0.210 120.680 120.400 0.117 0.000 2.162 169 D HA 0.074 4.713 4.640 -0.001 0.000 0.203 169 D C 0.427 176.831 176.300 0.173 0.000 0.967 169 D CA 1.616 55.711 54.000 0.158 0.000 0.840 169 D CB 0.376 41.264 40.800 0.147 0.000 0.972 169 D HN 0.701 nan 8.370 nan 0.000 0.482 170 C N 0.670 119.971 119.300 0.001 0.000 2.516 170 C HA 0.515 4.974 4.460 -0.001 0.000 0.338 170 C C -1.490 173.421 174.990 -0.132 0.000 1.132 170 C CA -1.077 57.723 59.018 -0.363 0.000 1.310 170 C CB -0.231 27.129 27.740 -0.633 0.000 1.898 170 C HN 0.086 nan 8.230 nan 0.000 0.452 171 F N 7.091 126.890 119.950 -0.251 0.000 2.411 171 F HA 0.819 5.345 4.527 -0.001 0.000 0.352 171 F C -0.649 175.063 175.800 -0.146 0.000 1.123 171 F CA -0.944 56.977 58.000 -0.131 0.000 1.044 171 F CB 0.796 39.761 39.000 -0.059 0.000 1.135 171 F HN 0.496 nan 8.300 nan 0.000 0.461 172 I N 4.792 124.786 120.570 -0.961 0.000 2.406 172 I HA 0.326 4.496 4.170 -0.001 0.000 0.290 172 I C -0.403 175.127 176.117 -0.978 0.000 0.999 172 I CA -0.416 60.427 61.300 -0.761 0.000 1.124 172 I CB 1.912 39.628 38.000 -0.473 0.000 1.289 172 I HN 0.528 nan 8.210 nan 0.000 0.441 173 S N 6.593 121.857 115.700 -0.726 0.000 2.449 173 S HA 0.700 5.169 4.470 -0.001 0.000 0.310 173 S C -0.817 173.513 174.600 -0.450 0.000 1.096 173 S CA -0.501 57.377 58.200 -0.536 0.000 1.095 173 S CB 0.566 63.576 63.200 -0.317 0.000 1.007 173 S HN 0.402 nan 8.310 nan 0.000 0.474 174 L N 5.086 126.068 121.223 -0.402 0.000 2.292 174 L HA 0.561 4.900 4.340 -0.001 0.000 0.284 174 L C 0.117 176.817 176.870 -0.283 0.000 1.065 174 L CA 0.186 54.790 54.840 -0.393 0.000 0.806 174 L CB 1.461 43.277 42.059 -0.405 0.000 1.175 174 L HN 0.634 nan 8.230 nan 0.000 0.431 175 Q N 2.561 122.186 119.800 -0.292 0.000 2.433 175 Q HA 0.537 4.877 4.340 -0.001 0.000 0.279 175 Q C -1.195 174.724 176.000 -0.135 0.000 1.105 175 Q CA -0.852 54.821 55.803 -0.215 0.000 0.815 175 Q CB 3.177 31.702 28.738 -0.355 0.000 1.403 175 Q HN 0.384 nan 8.270 nan 0.000 0.435 176 I N 0.730 121.265 120.570 -0.058 0.000 2.525 176 I HA 0.520 4.689 4.170 -0.001 0.000 0.301 176 I C -0.004 176.117 176.117 0.008 0.000 0.992 176 I CA -0.383 60.898 61.300 -0.032 0.000 1.162 176 I CB 1.619 39.605 38.000 -0.022 0.000 1.332 176 I HN 0.782 nan 8.210 nan 0.000 0.458 185 G N 0.760 109.542 108.800 -0.031 0.000 2.553 185 G HA2 0.501 4.460 3.960 -0.001 0.000 0.278 185 G HA3 0.501 4.460 3.960 -0.001 0.000 0.278 185 G C 0.087 174.955 174.900 -0.054 0.000 1.349 185 G CA -0.664 44.402 45.100 -0.056 0.000 1.037 185 G HN 0.494 nan 8.290 nan 0.000 0.508 186 I N 0.372 120.885 120.570 -0.094 0.000 2.618 186 I HA 0.018 4.187 4.170 -0.001 0.000 0.284 186 I C 0.585 176.703 176.117 0.003 0.000 1.146 186 I CA 0.223 61.483 61.300 -0.067 0.000 1.425 186 I CB 0.611 38.521 38.000 -0.150 0.000 1.383 186 I HN 0.301 nan 8.210 nan 0.000 0.562 187 K N 6.695 127.125 120.400 0.050 0.000 2.447 187 K HA 0.007 4.326 4.320 -0.001 0.000 0.281 187 K C 0.849 177.475 176.600 0.043 0.000 1.031 187 K CA -0.011 56.303 56.287 0.045 0.000 1.019 187 K CB 0.680 33.216 32.500 0.059 0.000 0.918 187 K HN 0.470 nan 8.250 nan 0.000 0.476 188 K N 1.654 122.067 120.400 0.023 0.000 2.097 188 K HA -0.146 4.173 4.320 -0.001 0.000 0.206 188 K C 2.081 178.693 176.600 0.020 0.000 1.049 188 K CA 1.415 57.713 56.287 0.018 0.000 0.933 188 K CB -0.073 32.431 32.500 0.006 0.000 0.717 188 K HN 0.845 nan 8.250 nan 0.000 0.442 189 G N 1.686 110.496 108.800 0.016 0.000 2.422 189 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.218 189 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.218 189 G C 1.436 176.345 174.900 0.016 0.000 1.146 189 G CA 0.473 45.575 45.100 0.004 0.000 0.769 189 G HN 0.155 nan 8.290 nan 0.000 0.547 190 L N 0.414 121.670 121.223 0.055 0.000 2.027 190 L HA 0.044 4.383 4.340 -0.001 0.000 0.206 190 L C 2.681 179.616 176.870 0.110 0.000 1.074 190 L CA 1.594 56.498 54.840 0.106 0.000 0.745 190 L CB -0.379 41.764 42.059 0.140 0.000 0.898 190 L HN 0.084 nan 8.230 nan 0.000 0.433 191 M N -0.536 119.118 119.600 0.089 0.000 2.149 191 M HA -0.248 4.231 4.480 -0.001 0.000 0.261 191 M C 2.225 178.556 176.300 0.051 0.000 1.064 191 M CA 1.808 57.155 55.300 0.078 0.000 1.102 191 M CB -1.313 31.321 32.600 0.056 0.000 1.369 191 M HN 0.496 nan 8.290 nan 0.000 0.408 192 E N 0.560 120.774 120.200 0.024 0.000 2.160 192 E HA -0.157 4.192 4.350 -0.001 0.000 0.195 192 E C 1.695 178.282 176.600 -0.022 0.000 0.991 192 E CA 1.910 58.305 56.400 -0.007 0.000 0.810 192 E CB 0.254 29.941 29.700 -0.023 0.000 0.742 192 E HN 0.441 nan 8.360 nan 0.000 0.466 193 V N -3.074 116.841 119.914 0.002 0.000 3.612 193 V HA 0.489 4.608 4.120 -0.001 0.000 0.268 193 V C 0.802 177.004 176.094 0.180 0.000 1.365 193 V CA -0.000 62.293 62.300 -0.012 0.000 1.044 193 V CB 0.049 31.747 31.823 -0.208 0.000 0.820 193 V HN 0.216 nan 8.190 nan 0.000 0.444 194 A N 1.670 124.641 122.820 0.252 0.000 2.548 194 A HA 0.255 4.574 4.320 -0.001 0.000 0.247 194 A C 0.915 178.653 177.584 0.256 0.000 1.067 194 A CA 0.729 52.952 52.037 0.309 0.000 0.757 194 A CB -0.143 18.963 19.000 0.177 0.000 0.996 194 A HN 0.515 nan 8.150 nan 0.000 0.504 195 D N 1.221 121.752 120.400 0.218 0.000 2.323 195 D HA 0.190 4.829 4.640 -0.001 0.000 0.218 195 D C -0.198 176.291 176.300 0.315 0.000 0.973 195 D CA 1.093 55.248 54.000 0.258 0.000 0.890 195 D CB 0.130 40.815 40.800 -0.192 0.000 1.011 195 D HN 0.409 nan 8.370 nan 0.000 0.499 196 L N 0.873 122.129 121.223 0.056 0.000 2.422 196 L HA 0.353 4.693 4.340 -0.001 0.000 0.264 196 L C -0.848 175.943 176.870 -0.132 0.000 0.984 196 L CA -0.498 54.354 54.840 0.019 0.000 0.819 196 L CB 3.056 45.095 42.059 -0.032 0.000 1.330 196 L HN -0.203 nan 8.230 nan 0.000 0.410 197 I N 2.904 123.392 120.570 -0.137 0.000 2.474 197 I HA 0.574 4.743 4.170 -0.001 0.000 0.294 197 I C -0.610 175.343 176.117 -0.274 0.000 1.005 197 I CA -0.706 60.431 61.300 -0.271 0.000 1.113 197 I CB 2.050 39.851 38.000 -0.333 0.000 1.289 197 I HN 0.181 nan 8.210 nan 0.000 0.436 198 V N 6.338 126.036 119.914 -0.360 0.000 2.588 198 V HA 0.449 4.568 4.120 -0.001 0.000 0.304 198 V C -0.101 175.797 176.094 -0.326 0.000 1.042 198 V CA -0.617 61.482 62.300 -0.336 0.000 0.877 198 V CB 2.660 34.195 31.823 -0.479 0.000 0.996 198 V HN 0.358 nan 8.190 nan 0.000 0.425 199 I N 4.111 124.546 120.570 -0.225 0.000 2.306 199 I HA 0.378 4.547 4.170 -0.001 0.000 0.288 199 I C 0.211 176.245 176.117 -0.138 0.000 1.036 199 I CA -0.261 60.934 61.300 -0.175 0.000 1.221 199 I CB 0.878 38.810 38.000 -0.113 0.000 1.385 199 I HN 0.578 nan 8.210 nan 0.000 0.472 200 N N 5.455 124.071 118.700 -0.141 0.000 2.434 200 N HA 0.220 4.959 4.740 -0.001 0.000 0.266 200 N C 0.096 175.580 175.510 -0.042 0.000 1.223 200 N CA -0.038 52.964 53.050 -0.081 0.000 0.972 200 N CB 0.768 39.207 38.487 -0.080 0.000 1.207 200 N HN 0.423 nan 8.380 nan 0.000 0.525 201 K N -0.794 119.601 120.400 -0.009 0.000 3.251 201 K HA -0.173 4.146 4.320 -0.001 0.000 0.282 201 K C -1.122 175.475 176.600 -0.006 0.000 1.201 201 K CA 0.468 56.755 56.287 -0.000 0.000 0.827 201 K CB -1.368 31.130 32.500 -0.004 0.000 1.286 201 K HN 0.523 nan 8.250 nan 0.000 0.503 202 D N 2.429 122.823 120.400 -0.010 0.000 2.600 202 D HA 0.073 4.712 4.640 -0.001 0.000 0.226 202 D C -0.512 175.808 176.300 0.034 0.000 1.119 202 D CA 0.223 54.214 54.000 -0.016 0.000 1.051 202 D CB -0.009 40.768 40.800 -0.038 0.000 1.106 202 D HN 0.344 nan 8.370 nan 0.000 0.491 203 D N -0.729 119.694 120.400 0.038 0.000 2.615 203 D HA 0.568 5.208 4.640 -0.001 0.000 0.267 203 D C 0.916 177.245 176.300 0.048 0.000 1.236 203 D CA -0.317 53.713 54.000 0.050 0.000 0.839 203 D CB 0.529 41.352 40.800 0.038 0.000 1.380 203 D HN 0.208 nan 8.370 nan 0.000 0.433 204 G N 0.548 109.375 108.800 0.045 0.000 2.596 204 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.304 204 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.304 204 G C 0.264 175.191 174.900 0.046 0.000 1.189 204 G CA 0.731 45.854 45.100 0.038 0.000 0.986 204 G HN 0.679 nan 8.290 nan 0.000 0.548 205 D N 1.950 122.374 120.400 0.040 0.000 2.369 205 D HA 0.074 4.714 4.640 -0.001 0.000 0.211 205 D C 1.429 177.761 176.300 0.053 0.000 1.077 205 D CA 0.600 54.626 54.000 0.043 0.000 0.842 205 D CB -0.133 40.684 40.800 0.028 0.000 0.947 205 D HN 0.516 nan 8.370 nan 0.000 0.509 206 N N 0.648 119.379 118.700 0.051 0.000 2.455 206 N HA -0.091 4.648 4.740 -0.001 0.000 0.258 206 N C 1.229 176.771 175.510 0.053 0.000 1.158 206 N CA -0.187 52.889 53.050 0.043 0.000 0.893 206 N CB -0.202 38.296 38.487 0.019 0.000 1.173 206 N HN 0.180 nan 8.380 nan 0.000 0.503 207 H N 1.570 120.646 119.070 0.010 0.000 2.352 207 H HA -0.076 4.479 4.556 -0.002 0.000 0.299 207 H C 0.626 175.960 175.328 0.011 0.000 1.097 207 H CA 1.924 57.979 56.048 0.012 0.000 1.311 207 H CB 0.119 29.888 29.762 0.012 0.000 1.377 207 H HN 0.209 nan 8.280 nan 0.000 0.504 208 T N 1.389 116.051 114.554 0.181 0.000 2.746 208 T HA -0.118 4.232 4.350 -0.001 0.000 0.267 208 T C 1.912 176.629 174.700 0.027 0.000 1.039 208 T CA 1.185 63.356 62.100 0.119 0.000 1.142 208 T CB -0.096 68.823 68.868 0.086 0.000 0.866 208 T HN 0.422 nan 8.240 nan 0.000 0.444 209 N N 0.995 119.703 118.700 0.014 0.000 2.104 209 N HA -0.074 4.666 4.740 -0.001 0.000 0.190 209 N C 1.968 177.466 175.510 -0.021 0.000 1.024 209 N CA 0.796 53.846 53.050 -0.001 0.000 0.853 209 N CB -0.723 37.766 38.487 0.004 0.000 1.008 209 N HN 0.213 nan 8.380 nan 0.000 0.424 210 V N 1.590 121.465 119.914 -0.064 0.000 2.343 210 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 210 V C 2.439 178.470 176.094 -0.105 0.000 1.051 210 V CA 1.756 63.996 62.300 -0.101 0.000 1.036 210 V CB -0.963 30.757 31.823 -0.171 0.000 0.654 210 V HN 0.293 nan 8.190 nan 0.000 0.451 211 A N -0.213 122.515 122.820 -0.153 0.000 1.933 211 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 211 A C 2.176 179.770 177.584 0.017 0.000 1.175 211 A CA 1.885 53.879 52.037 -0.071 0.000 0.628 211 A CB -0.525 18.467 19.000 -0.014 0.000 0.814 211 A HN 0.523 nan 8.150 nan 0.000 0.444 212 I N -0.484 120.092 120.570 0.011 0.000 2.252 212 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 212 I C 2.968 179.125 176.117 0.066 0.000 1.102 212 I CA 0.948 62.266 61.300 0.030 0.000 1.385 212 I CB -0.312 37.690 38.000 0.004 0.000 1.064 212 I HN 0.349 nan 8.210 nan 0.000 0.414 213 A N 0.727 123.581 122.820 0.057 0.000 1.877 213 A HA -0.241 4.078 4.320 -0.001 0.000 0.216 213 A C 2.469 180.166 177.584 0.187 0.000 1.186 213 A CA 1.599 53.703 52.037 0.111 0.000 0.620 213 A CB -0.653 18.416 19.000 0.117 0.000 0.822 213 A HN 0.308 nan 8.150 nan 0.000 0.443 214 R N -1.280 119.289 120.500 0.115 0.000 2.083 214 R HA -0.242 4.097 4.340 -0.001 0.000 0.237 214 R C 2.149 178.504 176.300 0.091 0.000 1.137 214 R CA 2.189 58.346 56.100 0.095 0.000 0.951 214 R CB -0.559 29.756 30.300 0.025 0.000 0.851 214 R HN 0.752 nan 8.270 nan 0.000 0.434 215 H N 0.281 119.350 119.070 -0.003 0.000 2.352 215 H HA -0.139 4.416 4.556 -0.001 0.000 0.299 215 H C 2.199 177.492 175.328 -0.058 0.000 1.097 215 H CA 2.426 58.453 56.048 -0.035 0.000 1.311 215 H CB -0.134 29.611 29.762 -0.028 0.000 1.377 215 H HN 0.180 nan 8.280 nan 0.000 0.504 216 M N -0.828 118.778 119.600 0.011 0.000 2.067 216 M HA -0.227 4.252 4.480 -0.001 0.000 0.260 216 M C 1.514 177.674 176.300 -0.233 0.000 1.069 216 M CA 1.831 57.055 55.300 -0.126 0.000 1.117 216 M CB -0.234 32.262 32.600 -0.174 0.000 1.334 216 M HN 0.336 nan 8.290 nan 0.000 0.407 217 Y N 0.587 120.830 120.300 -0.095 0.000 2.165 217 Y HA -0.264 4.286 4.550 -0.001 0.000 0.286 217 Y C 2.485 178.285 175.900 -0.167 0.000 1.155 217 Y CA 2.211 60.249 58.100 -0.103 0.000 1.164 217 Y CB -0.596 37.814 38.460 -0.083 0.000 0.978 217 Y HN 0.426 nan 8.280 nan 0.000 0.513 218 E N -0.302 119.832 120.200 -0.111 0.000 2.110 218 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 218 E C 2.229 178.551 176.600 -0.463 0.000 0.988 218 E CA 1.336 57.517 56.400 -0.365 0.000 0.804 218 E CB -0.051 29.373 29.700 -0.459 0.000 0.745 218 E HN 0.363 nan 8.360 nan 0.000 0.458 219 S N 0.508 115.979 115.700 -0.381 0.000 2.359 219 S HA -0.217 4.253 4.470 -0.001 0.000 0.224 219 S C 2.063 176.584 174.600 -0.131 0.000 1.035 219 S CA 1.137 59.178 58.200 -0.265 0.000 1.018 219 S CB -0.359 62.709 63.200 -0.221 0.000 0.876 219 S HN 0.488 nan 8.310 nan 0.000 0.448 220 A N 1.282 124.033 122.820 -0.116 0.000 1.883 220 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 220 A C 2.113 179.692 177.584 -0.007 0.000 1.186 220 A CA 1.308 53.312 52.037 -0.055 0.000 0.624 220 A CB -0.743 18.221 19.000 -0.060 0.000 0.822 220 A HN 0.461 nan 8.150 nan 0.000 0.444 221 L N -1.650 119.569 121.223 -0.007 0.000 2.291 221 L HA -0.104 4.235 4.340 -0.001 0.000 0.214 221 L C 2.328 179.279 176.870 0.136 0.000 1.120 221 L CA 0.893 55.764 54.840 0.053 0.000 0.799 221 L CB -0.508 41.583 42.059 0.054 0.000 0.925 221 L HN 0.545 nan 8.230 nan 0.000 0.446 222 H N -0.845 118.196 119.070 -0.049 0.000 2.436 222 H HA 0.013 4.568 4.556 -0.001 0.000 0.294 222 H C 2.219 177.523 175.328 -0.040 0.000 1.048 222 H CA 0.772 56.787 56.048 -0.055 0.000 1.353 222 H CB 0.561 30.280 29.762 -0.070 0.000 1.414 222 H HN 0.291 nan 8.280 nan 0.000 0.536 223 I N 0.852 121.474 120.570 0.085 0.000 2.585 223 I HA -0.061 4.108 4.170 -0.001 0.000 0.254 223 I C 0.423 176.554 176.117 0.024 0.000 1.129 223 I CA 0.185 61.507 61.300 0.037 0.000 1.455 223 I CB 0.339 38.349 38.000 0.016 0.000 1.111 223 I HN 0.029 nan 8.210 nan 0.000 0.433 224 L N 1.384 122.622 121.223 0.026 0.000 2.439 224 L HA 0.122 4.461 4.340 -0.001 0.000 0.269 224 L C 0.818 177.702 176.870 0.023 0.000 1.179 224 L CA -0.169 54.684 54.840 0.021 0.000 0.828 224 L CB 0.109 42.181 42.059 0.022 0.000 1.106 224 L HN 0.168 nan 8.230 nan 0.000 0.467 225 R N 2.203 122.713 120.500 0.016 0.000 2.583 225 R HA -0.017 4.322 4.340 -0.001 0.000 0.274 225 R C -0.131 176.184 176.300 0.025 0.000 0.998 225 R CA -0.009 56.101 56.100 0.017 0.000 1.081 225 R CB 0.352 30.660 30.300 0.013 0.000 0.940 225 R HN 0.493 nan 8.270 nan 0.000 0.413 226 R N 3.476 123.997 120.500 0.034 0.000 2.522 226 R HA -0.102 4.237 4.340 -0.001 0.000 0.284 226 R C 1.253 177.574 176.300 0.035 0.000 1.032 226 R CA 0.271 56.405 56.100 0.058 0.000 1.049 226 R CB 0.512 30.864 30.300 0.088 0.000 0.956 226 R HN 0.666 nan 8.270 nan 0.000 0.422 227 K N 2.471 122.872 120.400 0.001 0.000 2.032 227 K HA -0.159 4.160 4.320 -0.001 0.000 0.209 227 K C -0.330 176.130 176.600 -0.234 0.000 1.048 227 K CA 1.493 57.682 56.287 -0.164 0.000 0.927 227 K CB 0.146 32.490 32.500 -0.260 0.000 0.712 227 K HN 0.432 nan 8.250 nan 0.000 0.441 228 Y N 0.485 120.891 120.300 0.177 0.000 2.350 228 Y HA 0.131 4.681 4.550 -0.002 0.000 0.338 228 Y C 0.368 176.342 175.900 0.125 0.000 0.961 228 Y CA -1.374 56.811 58.100 0.142 0.000 1.100 228 Y CB 1.775 40.332 38.460 0.161 0.000 1.179 228 Y HN 0.055 nan 8.280 nan 0.000 0.454 229 D N 1.373 121.913 120.400 0.233 0.000 2.221 229 D HA -0.177 4.462 4.640 -0.001 0.000 0.204 229 D C 1.123 177.508 176.300 0.142 0.000 0.982 229 D CA 1.655 55.741 54.000 0.143 0.000 0.857 229 D CB 0.436 41.291 40.800 0.091 0.000 0.934 229 D HN 0.712 nan 8.370 nan 0.000 0.475 230 E N -0.927 119.371 120.200 0.163 0.000 2.338 230 E HA -0.009 4.340 4.350 -0.001 0.000 0.197 230 E C -0.234 176.517 176.600 0.251 0.000 1.007 230 E CA 0.368 56.846 56.400 0.131 0.000 0.849 230 E CB 0.068 29.782 29.700 0.025 0.000 0.774 230 E HN 0.385 nan 8.360 nan 0.000 0.506 231 W N 1.087 122.434 121.300 0.078 0.000 2.756 231 W HA 0.348 5.007 4.660 -0.002 0.000 0.333 231 W C -1.113 175.493 176.519 0.145 0.000 1.025 231 W CA -1.042 56.374 57.345 0.119 0.000 1.246 231 W CB 1.123 30.703 29.460 0.200 0.000 1.358 231 W HN -0.249 nan 8.180 nan 0.000 0.444 232 Q N 6.929 126.487 119.800 -0.404 0.000 2.307 232 Q HA 0.284 4.623 4.340 -0.001 0.000 0.259 232 Q C -2.140 173.399 176.000 -0.769 0.000 0.998 232 Q CA -1.441 54.115 55.803 -0.411 0.000 0.923 232 Q CB 1.106 29.645 28.738 -0.332 0.000 1.196 232 Q HN 0.069 nan 8.270 nan 0.000 0.416 233 P HA -0.017 nan 4.420 nan 0.000 0.265 233 P C -1.003 176.236 177.300 -0.101 0.000 1.187 233 P CA 0.416 63.474 63.100 -0.070 0.000 0.766 233 P CB 0.612 32.394 31.700 0.137 0.000 0.820 234 R N 1.188 121.698 120.500 0.017 0.000 2.664 234 R HA 0.654 4.994 4.340 -0.001 0.000 0.286 234 R C -1.111 175.208 176.300 0.032 0.000 0.967 234 R CA -1.086 55.021 56.100 0.012 0.000 0.933 234 R CB 1.640 31.971 30.300 0.051 0.000 1.146 234 R HN 0.181 nan 8.270 nan 0.000 0.468 235 V N 4.244 124.155 119.914 -0.006 0.000 2.407 235 V HA 0.410 4.529 4.120 -0.001 0.000 0.291 235 V C -0.695 175.385 176.094 -0.024 0.000 1.018 235 V CA -0.727 61.551 62.300 -0.036 0.000 0.842 235 V CB 1.341 33.138 31.823 -0.043 0.000 0.996 235 V HN 0.499 nan 8.190 nan 0.000 0.426 236 L N 3.885 125.085 121.223 -0.038 0.000 2.301 236 L HA 0.892 5.231 4.340 -0.001 0.000 0.264 236 L C 0.412 177.253 176.870 -0.048 0.000 1.016 236 L CA -0.259 54.572 54.840 -0.015 0.000 0.821 236 L CB 2.513 44.584 42.059 0.019 0.000 1.346 236 L HN 0.795 nan 8.230 nan 0.000 0.429 237 T N -2.102 112.438 114.554 -0.022 0.000 2.924 237 T HA 0.842 5.191 4.350 -0.001 0.000 0.291 237 T C -0.456 174.246 174.700 0.002 0.000 1.045 237 T CA -0.739 61.337 62.100 -0.039 0.000 1.015 237 T CB 1.683 70.519 68.868 -0.055 0.000 1.103 237 T HN 0.962 nan 8.240 nan 0.000 0.496 238 C N -0.510 118.791 119.300 0.003 0.000 3.318 238 C HA 0.893 5.352 4.460 -0.001 0.000 0.322 238 C C -0.473 174.546 174.990 0.049 0.000 1.398 238 C CA -0.860 58.191 59.018 0.054 0.000 1.339 238 C CB 1.021 28.830 27.740 0.115 0.000 1.668 238 C HN 1.014 nan 8.230 nan 0.000 0.462 239 S N 0.241 115.982 115.700 0.068 0.000 2.667 239 S HA 0.613 5.083 4.470 -0.001 0.000 0.304 239 S C 0.860 175.507 174.600 0.078 0.000 1.135 239 S CA 0.317 58.554 58.200 0.062 0.000 1.125 239 S CB 0.859 64.090 63.200 0.051 0.000 0.996 239 S HN 1.710 nan 8.310 nan 0.000 0.474 240 A N 5.049 127.929 122.820 0.101 0.000 1.883 240 A HA -0.013 4.307 4.320 -0.001 0.000 0.217 240 A C 1.848 179.464 177.584 0.052 0.000 1.186 240 A CA 1.324 53.421 52.037 0.099 0.000 0.624 240 A CB -0.703 18.376 19.000 0.132 0.000 0.822 240 A HN 0.799 nan 8.150 nan 0.000 0.444 241 L N -0.749 120.501 121.223 0.045 0.000 2.362 241 L HA -0.103 4.236 4.340 -0.001 0.000 0.219 241 L C 1.825 178.710 176.870 0.025 0.000 1.134 241 L CA 1.008 55.865 54.840 0.029 0.000 0.807 241 L CB -0.362 41.712 42.059 0.025 0.000 0.927 241 L HN 0.519 nan 8.230 nan 0.000 0.447 242 E N -0.448 119.771 120.200 0.032 0.000 2.481 242 E HA -0.003 4.346 4.350 -0.001 0.000 0.198 242 E C -0.205 176.413 176.600 0.030 0.000 1.027 242 E CA -0.205 56.213 56.400 0.030 0.000 0.900 242 E CB 0.484 30.205 29.700 0.035 0.000 0.993 242 E HN 0.035 nan 8.360 nan 0.000 0.482 243 K N 1.259 121.678 120.400 0.032 0.000 3.257 243 K HA -0.216 4.103 4.320 -0.001 0.000 0.270 243 K C -0.576 176.049 176.600 0.042 0.000 0.984 243 K CA 0.655 56.960 56.287 0.030 0.000 0.739 243 K CB -1.470 31.037 32.500 0.013 0.000 1.351 243 K HN 0.336 nan 8.250 nan 0.000 0.463 244 R N -1.294 119.240 120.500 0.056 0.000 2.621 244 R HA 0.679 5.018 4.340 -0.001 0.000 0.292 244 R C 0.898 177.247 176.300 0.082 0.000 0.969 244 R CA -0.280 55.859 56.100 0.065 0.000 0.887 244 R CB 1.786 32.123 30.300 0.062 0.000 1.180 244 R HN 0.307 nan 8.270 nan 0.000 0.450 245 G N 2.493 111.346 108.800 0.089 0.000 2.217 245 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.246 245 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.246 245 G C 0.675 175.656 174.900 0.135 0.000 0.990 245 G CA 0.267 45.430 45.100 0.104 0.000 0.627 245 G HN 0.504 nan 8.290 nan 0.000 0.522 246 I N 1.397 122.047 120.570 0.134 0.000 2.202 246 I HA -0.011 4.158 4.170 -0.001 0.000 0.242 246 I C 2.269 178.483 176.117 0.162 0.000 1.091 246 I CA 2.089 63.493 61.300 0.174 0.000 1.368 246 I CB -1.179 36.885 38.000 0.106 0.000 1.058 246 I HN 0.221 nan 8.210 nan 0.000 0.410 247 D N 1.040 121.482 120.400 0.070 0.000 2.149 247 D HA -0.215 4.424 4.640 -0.001 0.000 0.198 247 D C 1.968 178.185 176.300 -0.138 0.000 0.990 247 D CA 1.271 55.242 54.000 -0.049 0.000 0.839 247 D CB 0.210 40.988 40.800 -0.037 0.000 0.948 247 D HN 0.229 nan 8.370 nan 0.000 0.460 248 E N -0.414 119.824 120.200 0.063 0.000 2.150 248 E HA -0.043 4.306 4.350 -0.001 0.000 0.193 248 E C 2.152 178.863 176.600 0.185 0.000 0.985 248 E CA 0.476 56.969 56.400 0.154 0.000 0.814 248 E CB -0.072 29.722 29.700 0.156 0.000 0.752 248 E HN 0.431 nan 8.360 nan 0.000 0.466 249 I N -0.058 120.635 120.570 0.205 0.000 2.252 249 I HA -0.225 3.944 4.170 -0.001 0.000 0.245 249 I C 2.265 178.596 176.117 0.358 0.000 1.102 249 I CA 0.995 62.441 61.300 0.244 0.000 1.385 249 I CB -0.299 37.851 38.000 0.249 0.000 1.064 249 I HN 0.330 nan 8.210 nan 0.000 0.414 250 W N 1.766 123.187 121.300 0.201 0.000 2.358 250 W HA -0.244 4.416 4.660 -0.001 0.000 0.303 250 W C 2.445 179.078 176.519 0.190 0.000 1.208 250 W CA 1.684 59.168 57.345 0.232 0.000 1.274 250 W CB -0.363 29.138 29.460 0.069 0.000 1.138 250 W HN 0.265 nan 8.180 nan 0.000 0.515 251 H N -0.097 119.023 119.070 0.082 0.000 2.387 251 H HA -0.130 4.425 4.556 -0.001 0.000 0.299 251 H C 2.482 177.802 175.328 -0.014 0.000 1.090 251 H CA 1.301 57.307 56.048 -0.071 0.000 1.332 251 H CB -0.212 29.571 29.762 0.036 0.000 1.386 251 H HN 0.187 nan 8.280 nan 0.000 0.516 252 A N 0.928 123.881 122.820 0.222 0.000 1.898 252 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 252 A C 2.324 180.023 177.584 0.191 0.000 1.181 252 A CA 1.116 53.315 52.037 0.271 0.000 0.620 252 A CB -0.558 18.619 19.000 0.294 0.000 0.819 252 A HN 0.298 nan 8.150 nan 0.000 0.442 253 I N -0.250 120.373 120.570 0.089 0.000 2.208 253 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 253 I C 2.269 178.317 176.117 -0.115 0.000 1.097 253 I CA 1.376 62.672 61.300 -0.007 0.000 1.363 253 I CB -0.319 37.766 38.000 0.141 0.000 1.051 253 I HN 0.305 nan 8.210 nan 0.000 0.413 254 I N 0.518 120.909 120.570 -0.299 0.000 2.226 254 I HA -0.311 3.858 4.170 -0.001 0.000 0.245 254 I C 2.063 178.106 176.117 -0.123 0.000 1.100 254 I CA 1.360 62.475 61.300 -0.308 0.000 1.374 254 I CB -0.509 37.227 38.000 -0.439 0.000 1.057 254 I HN 0.232 nan 8.210 nan 0.000 0.413 255 D N 0.596 120.986 120.400 -0.015 0.000 2.123 255 D HA -0.230 4.409 4.640 -0.001 0.000 0.196 255 D C 1.917 178.211 176.300 -0.010 0.000 0.992 255 D CA 1.294 55.354 54.000 0.100 0.000 0.833 255 D CB -0.408 40.580 40.800 0.314 0.000 0.954 255 D HN 0.290 nan 8.370 nan 0.000 0.455 256 F N 1.740 121.376 119.950 -0.523 0.000 2.069 256 F HA -0.218 4.308 4.527 -0.001 0.000 0.298 256 F C 2.270 177.756 175.800 -0.523 0.000 1.113 256 F CA 1.731 59.071 58.000 -1.099 0.000 1.214 256 F CB -0.036 38.232 39.000 -1.219 0.000 0.978 256 F HN -0.201 nan 8.300 nan 0.000 0.474 257 K N -0.394 119.902 120.400 -0.174 0.000 2.032 257 K HA -0.183 4.136 4.320 -0.001 0.000 0.209 257 K C 1.971 178.439 176.600 -0.220 0.000 1.048 257 K CA 2.160 58.346 56.287 -0.168 0.000 0.927 257 K CB -0.496 31.971 32.500 -0.054 0.000 0.712 257 K HN 0.301 nan 8.250 nan 0.000 0.441 258 T N 0.709 115.167 114.554 -0.161 0.000 2.665 258 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 258 T C 1.872 176.490 174.700 -0.136 0.000 1.035 258 T CA 1.585 63.616 62.100 -0.116 0.000 1.151 258 T CB -0.427 68.405 68.868 -0.060 0.000 0.862 258 T HN 0.450 nan 8.240 nan 0.000 0.438 259 A N 0.656 123.381 122.820 -0.159 0.000 1.902 259 A HA 0.027 4.346 4.320 -0.001 0.000 0.217 259 A C 2.211 179.650 177.584 -0.240 0.000 1.181 259 A CA 1.256 53.220 52.037 -0.122 0.000 0.623 259 A CB -0.683 18.337 19.000 0.034 0.000 0.818 259 A HN 0.378 nan 8.150 nan 0.000 0.443 260 L N -0.117 120.830 121.223 -0.461 0.000 2.179 260 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 260 L C 2.855 179.546 176.870 -0.299 0.000 1.096 260 L CA 2.084 56.629 54.840 -0.493 0.000 0.779 260 L CB -0.547 41.012 42.059 -0.833 0.000 0.922 260 L HN 0.621 nan 8.230 nan 0.000 0.443 261 T N -3.937 110.473 114.554 -0.240 0.000 3.023 261 T HA -0.023 4.326 4.350 -0.001 0.000 0.266 261 T C 1.944 176.580 174.700 -0.107 0.000 1.093 261 T CA 0.695 62.706 62.100 -0.148 0.000 1.129 261 T CB -0.373 68.428 68.868 -0.112 0.000 0.899 261 T HN 0.191 nan 8.240 nan 0.000 0.491 262 A N 2.274 125.032 122.820 -0.105 0.000 1.978 262 A HA -0.048 4.271 4.320 -0.001 0.000 0.220 262 A C 2.578 180.126 177.584 -0.060 0.000 1.170 262 A CA 2.053 54.048 52.037 -0.069 0.000 0.636 262 A CB -0.871 18.095 19.000 -0.057 0.000 0.810 262 A HN 0.772 nan 8.150 nan 0.000 0.448 263 S N -2.769 112.887 115.700 -0.074 0.000 2.540 263 S HA 0.419 4.888 4.470 -0.001 0.000 0.218 263 S C 1.316 175.882 174.600 -0.057 0.000 0.977 263 S CA 0.986 59.152 58.200 -0.056 0.000 0.918 263 S CB 0.014 63.181 63.200 -0.055 0.000 0.806 263 S HN 1.913 nan 8.310 nan 0.000 0.496 264 G N 1.892 110.649 108.800 -0.071 0.000 2.155 264 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.257 264 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.257 264 G C 0.831 175.686 174.900 -0.076 0.000 0.983 264 G CA 0.482 45.543 45.100 -0.064 0.000 0.676 264 G HN 0.526 nan 8.290 nan 0.000 0.528 265 R N -0.212 120.219 120.500 -0.115 0.000 2.092 265 R HA 0.175 4.514 4.340 -0.001 0.000 0.231 265 R C 2.469 178.671 176.300 -0.164 0.000 1.119 265 R CA 1.969 57.985 56.100 -0.140 0.000 0.970 265 R CB -0.556 29.616 30.300 -0.213 0.000 0.864 265 R HN 0.579 nan 8.270 nan 0.000 0.440 266 L N 0.935 122.041 121.223 -0.195 0.000 2.012 266 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 266 L C 1.942 178.773 176.870 -0.066 0.000 1.073 266 L CA 1.925 56.673 54.840 -0.154 0.000 0.748 266 L CB -0.758 41.214 42.059 -0.145 0.000 0.891 266 L HN 0.303 nan 8.230 nan 0.000 0.431 267 Q N -1.102 118.666 119.800 -0.053 0.000 2.112 267 Q HA -0.304 4.035 4.340 -0.001 0.000 0.206 267 Q C 2.305 178.299 176.000 -0.010 0.000 0.987 267 Q CA 2.180 57.968 55.803 -0.024 0.000 0.858 267 Q CB -0.288 28.435 28.738 -0.024 0.000 0.905 267 Q HN 0.638 nan 8.270 nan 0.000 0.420 268 Q N 0.104 119.894 119.800 -0.016 0.000 2.084 268 Q HA -0.167 4.172 4.340 -0.001 0.000 0.202 268 Q C 2.133 178.150 176.000 0.029 0.000 0.978 268 Q CA 1.433 57.240 55.803 0.006 0.000 0.844 268 Q CB 0.092 28.833 28.738 0.005 0.000 0.898 268 Q HN 0.264 nan 8.270 nan 0.000 0.426 269 V N 1.046 120.977 119.914 0.027 0.000 2.255 269 V HA -0.330 3.789 4.120 -0.001 0.000 0.247 269 V C 2.385 178.521 176.094 0.070 0.000 1.051 269 V CA 2.309 64.654 62.300 0.075 0.000 1.018 269 V CB -0.584 31.287 31.823 0.081 0.000 0.641 269 V HN 0.381 nan 8.190 nan 0.000 0.445 270 R N -0.292 120.235 120.500 0.045 0.000 2.091 270 R HA -0.260 4.079 4.340 -0.001 0.000 0.238 270 R C 2.405 178.729 176.300 0.040 0.000 1.136 270 R CA 1.985 58.109 56.100 0.041 0.000 0.959 270 R CB -0.435 29.880 30.300 0.026 0.000 0.856 270 R HN 0.564 nan 8.270 nan 0.000 0.437 271 Q N 1.146 120.967 119.800 0.034 0.000 2.050 271 Q HA -0.194 4.145 4.340 -0.001 0.000 0.202 271 Q C 1.939 177.970 176.000 0.051 0.000 0.980 271 Q CA 1.783 57.608 55.803 0.037 0.000 0.840 271 Q CB -0.054 28.700 28.738 0.027 0.000 0.898 271 Q HN 0.361 nan 8.270 nan 0.000 0.424 272 Q N -0.409 119.426 119.800 0.057 0.000 2.135 272 Q HA -0.216 4.123 4.340 -0.001 0.000 0.204 272 Q C 2.270 178.318 176.000 0.080 0.000 0.981 272 Q CA 1.703 57.545 55.803 0.066 0.000 0.856 272 Q CB -0.070 28.711 28.738 0.072 0.000 0.902 272 Q HN 0.575 nan 8.270 nan 0.000 0.425 273 Q N -0.361 119.490 119.800 0.084 0.000 2.084 273 Q HA -0.119 4.221 4.340 -0.001 0.000 0.202 273 Q C 2.232 178.307 176.000 0.126 0.000 0.978 273 Q CA 1.393 57.254 55.803 0.097 0.000 0.844 273 Q CB 0.044 28.830 28.738 0.079 0.000 0.898 273 Q HN 0.208 nan 8.270 nan 0.000 0.426 274 S N 0.020 115.780 115.700 0.101 0.000 2.371 274 S HA -0.090 4.379 4.470 -0.001 0.000 0.224 274 S C 2.114 176.818 174.600 0.173 0.000 1.029 274 S CA 0.860 59.134 58.200 0.124 0.000 0.978 274 S CB -0.075 63.165 63.200 0.066 0.000 0.833 274 S HN 0.133 nan 8.310 nan 0.000 0.466 275 V N 1.953 121.939 119.914 0.119 0.000 2.295 275 V HA -0.189 3.930 4.120 -0.001 0.000 0.246 275 V C 2.299 178.455 176.094 0.103 0.000 1.049 275 V CA 1.726 64.086 62.300 0.099 0.000 1.024 275 V CB -0.646 31.216 31.823 0.065 0.000 0.648 275 V HN 0.481 nan 8.190 nan 0.000 0.447 276 E N -1.332 118.932 120.200 0.108 0.000 2.110 276 E HA -0.276 4.073 4.350 -0.001 0.000 0.193 276 E C 1.906 178.568 176.600 0.104 0.000 0.988 276 E CA 1.628 58.080 56.400 0.086 0.000 0.804 276 E CB -0.219 29.528 29.700 0.078 0.000 0.745 276 E HN 0.764 nan 8.360 nan 0.000 0.458 277 W N 1.343 122.644 121.300 0.003 0.000 2.354 277 W HA -0.173 4.486 4.660 -0.001 0.000 0.315 277 W C 1.796 178.315 176.519 -0.000 0.000 1.206 277 W CA 1.331 58.676 57.345 0.000 0.000 1.290 277 W CB -0.344 29.118 29.460 0.003 0.000 1.152 277 W HN -0.035 nan 8.180 nan 0.000 0.489 278 L N 0.452 121.792 121.223 0.194 0.000 2.013 278 L HA -0.276 4.063 4.340 -0.001 0.000 0.212 278 L C 2.711 179.499 176.870 -0.137 0.000 1.073 278 L CA 1.904 56.748 54.840 0.006 0.000 0.753 278 L CB -0.901 41.243 42.059 0.141 0.000 0.890 278 L HN -0.029 nan 8.230 nan 0.000 0.432 279 R N 0.640 121.099 120.500 -0.069 0.000 2.070 279 R HA -0.174 4.165 4.340 -0.001 0.000 0.233 279 R C 2.282 178.501 176.300 -0.134 0.000 1.137 279 R CA 1.686 57.741 56.100 -0.075 0.000 0.945 279 R CB -0.496 29.787 30.300 -0.029 0.000 0.845 279 R HN 0.125 nan 8.270 nan 0.000 0.430 280 K N -0.061 120.241 120.400 -0.164 0.000 2.032 280 K HA -0.171 4.148 4.320 -0.001 0.000 0.209 280 K C 1.752 178.181 176.600 -0.284 0.000 1.048 280 K CA 1.625 57.796 56.287 -0.193 0.000 0.927 280 K CB -0.008 32.392 32.500 -0.167 0.000 0.712 280 K HN 0.253 nan 8.250 nan 0.000 0.441 281 Q N -0.023 119.488 119.800 -0.482 0.000 2.167 281 Q HA -0.075 4.264 4.340 -0.001 0.000 0.202 281 Q C 2.100 177.908 176.000 -0.320 0.000 0.970 281 Q CA 1.531 57.020 55.803 -0.523 0.000 0.855 281 Q CB -0.487 27.670 28.738 -0.968 0.000 0.911 281 Q HN 0.384 nan 8.270 nan 0.000 0.438 282 T N 1.454 115.855 114.554 -0.257 0.000 2.737 282 T HA -0.129 4.220 4.350 -0.001 0.000 0.265 282 T C 1.694 176.326 174.700 -0.113 0.000 1.038 282 T CA 1.349 63.360 62.100 -0.148 0.000 1.144 282 T CB -0.093 68.713 68.868 -0.104 0.000 0.866 282 T HN 0.372 nan 8.240 nan 0.000 0.434 283 E N 0.939 121.072 120.200 -0.112 0.000 2.058 283 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 283 E C 2.363 178.907 176.600 -0.094 0.000 0.997 283 E CA 1.148 57.498 56.400 -0.084 0.000 0.801 283 E CB -0.107 29.546 29.700 -0.078 0.000 0.746 283 E HN 0.576 nan 8.360 nan 0.000 0.450 284 E N 0.351 120.471 120.200 -0.132 0.000 2.150 284 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 284 E C 2.059 178.569 176.600 -0.151 0.000 0.985 284 E CA 0.816 57.133 56.400 -0.137 0.000 0.814 284 E CB 0.044 29.649 29.700 -0.157 0.000 0.752 284 E HN 0.258 nan 8.360 nan 0.000 0.466 285 E N 0.696 120.795 120.200 -0.169 0.000 2.047 285 E HA -0.163 4.186 4.350 -0.001 0.000 0.191 285 E C 2.080 178.567 176.600 -0.188 0.000 0.987 285 E CA 1.207 57.469 56.400 -0.229 0.000 0.799 285 E CB 0.073 29.678 29.700 -0.160 0.000 0.752 285 E HN -0.014 nan 8.360 nan 0.000 0.449 286 V N 1.367 121.252 119.914 -0.049 0.000 2.282 286 V HA -0.298 3.821 4.120 -0.001 0.000 0.249 286 V C 2.508 178.617 176.094 0.025 0.000 1.057 286 V CA 1.880 64.196 62.300 0.026 0.000 1.032 286 V CB -0.537 31.289 31.823 0.006 0.000 0.645 286 V HN 0.369 nan 8.190 nan 0.000 0.447 287 L N -0.128 121.100 121.223 0.009 0.000 2.056 287 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 287 L C 2.475 179.435 176.870 0.150 0.000 1.078 287 L CA 1.409 56.309 54.840 0.099 0.000 0.749 287 L CB -0.793 41.284 42.059 0.029 0.000 0.901 287 L HN 0.364 nan 8.230 nan 0.000 0.433 288 N N -0.268 118.428 118.700 -0.008 0.000 2.166 288 N HA -0.184 4.555 4.740 -0.001 0.000 0.186 288 N C 1.766 177.289 175.510 0.021 0.000 1.019 288 N CA 1.337 54.371 53.050 -0.026 0.000 0.856 288 N CB -0.359 38.038 38.487 -0.150 0.000 0.993 288 N HN 0.496 nan 8.380 nan 0.000 0.426 289 H N -0.296 118.794 119.070 0.033 0.000 2.353 289 H HA -0.053 4.502 4.556 -0.001 0.000 0.300 289 H C 1.942 177.262 175.328 -0.013 0.000 1.090 289 H CA 0.817 56.871 56.048 0.009 0.000 1.327 289 H CB 0.052 29.803 29.762 -0.017 0.000 1.383 289 H HN 0.045 nan 8.280 nan 0.000 0.508 290 L N -0.031 121.227 121.223 0.058 0.000 1.994 290 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 290 L C 1.489 178.262 176.870 -0.162 0.000 1.071 290 L CA 1.651 56.363 54.840 -0.214 0.000 0.745 290 L CB -0.536 41.246 42.059 -0.460 0.000 0.892 290 L HN 0.132 nan 8.230 nan 0.000 0.431 291 F N -0.531 119.422 119.950 0.005 0.000 2.604 291 F HA 0.053 4.579 4.527 -0.001 0.000 0.298 291 F C 2.290 178.160 175.800 0.116 0.000 1.131 291 F CA 0.726 58.800 58.000 0.123 0.000 1.457 291 F CB -0.789 38.214 39.000 0.005 0.000 1.095 291 F HN 0.195 nan 8.300 nan 0.000 0.574 292 A N -0.317 122.636 122.820 0.222 0.000 1.930 292 A HA -0.099 4.220 4.320 -0.001 0.000 0.215 292 A C 1.067 178.742 177.584 0.152 0.000 1.176 292 A CA 0.215 52.350 52.037 0.163 0.000 0.632 292 A CB -0.821 18.262 19.000 0.138 0.000 0.819 292 A HN 0.299 nan 8.150 nan 0.000 0.445 293 N N 0.637 119.428 118.700 0.152 0.000 2.217 293 N HA -0.093 4.646 4.740 -0.001 0.000 0.268 293 N C 0.856 176.467 175.510 0.169 0.000 1.290 293 N CA 0.525 53.665 53.050 0.149 0.000 0.831 293 N CB 0.293 38.871 38.487 0.151 0.000 1.057 293 N HN 0.452 nan 8.380 nan 0.000 0.481 294 E N 2.142 122.420 120.200 0.130 0.000 2.106 294 E HA -0.213 4.136 4.350 -0.001 0.000 0.192 294 E C 0.329 177.001 176.600 0.120 0.000 0.984 294 E CA 1.099 57.565 56.400 0.110 0.000 0.806 294 E CB 0.184 29.934 29.700 0.084 0.000 0.750 294 E HN 0.684 nan 8.360 nan 0.000 0.458 295 D N -0.193 120.305 120.400 0.164 0.000 2.117 295 D HA -0.139 4.500 4.640 -0.001 0.000 0.198 295 D C 1.623 178.036 176.300 0.189 0.000 0.982 295 D CA 0.675 54.801 54.000 0.210 0.000 0.828 295 D CB -0.346 40.631 40.800 0.294 0.000 0.967 295 D HN 0.170 nan 8.370 nan 0.000 0.464 296 F N 1.584 121.598 119.950 0.106 0.000 2.146 296 F HA -0.135 4.391 4.527 -0.001 0.000 0.298 296 F C 1.945 177.701 175.800 -0.073 0.000 1.096 296 F CA 1.366 59.339 58.000 -0.045 0.000 1.275 296 F CB -0.147 38.849 39.000 -0.007 0.000 1.008 296 F HN -0.176 nan 8.300 nan 0.000 0.480 297 D N -0.088 120.316 120.400 0.007 0.000 2.123 297 D HA -0.255 4.384 4.640 -0.001 0.000 0.196 297 D C 2.419 178.684 176.300 -0.058 0.000 0.992 297 D CA 1.648 55.648 54.000 -0.001 0.000 0.833 297 D CB -0.256 40.609 40.800 0.109 0.000 0.954 297 D HN 0.302 nan 8.370 nan 0.000 0.455 298 R N -1.442 119.026 120.500 -0.053 0.000 2.070 298 R HA -0.209 4.130 4.340 -0.001 0.000 0.233 298 R C 2.302 178.512 176.300 -0.150 0.000 1.137 298 R CA 1.389 57.453 56.100 -0.061 0.000 0.945 298 R CB -0.712 29.585 30.300 -0.004 0.000 0.845 298 R HN 0.310 nan 8.270 nan 0.000 0.430 299 Y N 0.030 120.088 120.300 -0.403 0.000 2.224 299 Y HA -0.285 4.264 4.550 -0.001 0.000 0.289 299 Y C 2.023 177.603 175.900 -0.533 0.000 1.146 299 Y CA 1.941 59.711 58.100 -0.550 0.000 1.182 299 Y CB -0.466 37.358 38.460 -1.060 0.000 0.983 299 Y HN 0.230 nan 8.280 nan 0.000 0.524 300 Y N 0.757 120.638 120.300 -0.699 0.000 2.145 300 Y HA -0.238 4.311 4.550 -0.001 0.000 0.286 300 Y C 2.458 178.151 175.900 -0.345 0.000 1.145 300 Y CA 2.023 59.758 58.100 -0.608 0.000 1.148 300 Y CB -0.375 37.644 38.460 -0.736 0.000 0.981 300 Y HN -0.012 nan 8.280 nan 0.000 0.507 301 R N -0.507 119.841 120.500 -0.253 0.000 2.092 301 R HA -0.153 4.186 4.340 -0.001 0.000 0.231 301 R C 2.209 178.338 176.300 -0.285 0.000 1.119 301 R CA 1.335 57.298 56.100 -0.229 0.000 0.970 301 R CB -0.221 30.032 30.300 -0.077 0.000 0.864 301 R HN 0.379 nan 8.270 nan 0.000 0.440 302 Q N -0.135 119.478 119.800 -0.312 0.000 2.124 302 Q HA -0.085 4.254 4.340 -0.001 0.000 0.202 302 Q C 2.029 177.800 176.000 -0.381 0.000 0.977 302 Q CA 1.683 57.298 55.803 -0.314 0.000 0.850 302 Q CB -0.342 28.207 28.738 -0.315 0.000 0.901 302 Q HN 0.319 nan 8.270 nan 0.000 0.429 303 T N 1.897 116.137 114.554 -0.522 0.000 2.737 303 T HA -0.052 4.297 4.350 -0.001 0.000 0.265 303 T C 2.075 176.553 174.700 -0.370 0.000 1.038 303 T CA 0.688 62.505 62.100 -0.470 0.000 1.144 303 T CB -0.272 68.286 68.868 -0.517 0.000 0.866 303 T HN 0.159 nan 8.240 nan 0.000 0.434 304 L N 0.339 121.288 121.223 -0.455 0.000 2.013 304 L HA -0.135 4.204 4.340 -0.001 0.000 0.212 304 L C 2.509 179.244 176.870 -0.225 0.000 1.073 304 L CA 1.110 55.737 54.840 -0.354 0.000 0.753 304 L CB -0.565 41.250 42.059 -0.405 0.000 0.890 304 L HN 0.238 nan 8.230 nan 0.000 0.432 305 L N -0.070 121.025 121.223 -0.212 0.000 2.056 305 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 305 L C 2.654 179.445 176.870 -0.132 0.000 1.078 305 L CA 1.923 56.674 54.840 -0.148 0.000 0.749 305 L CB -0.739 41.241 42.059 -0.132 0.000 0.901 305 L HN 0.152 nan 8.230 nan 0.000 0.433 306 A N -1.179 121.547 122.820 -0.157 0.000 1.908 306 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 306 A C 2.268 179.788 177.584 -0.106 0.000 1.181 306 A CA 2.202 54.162 52.037 -0.129 0.000 0.627 306 A CB -1.104 17.805 19.000 -0.151 0.000 0.818 306 A HN 0.295 nan 8.150 nan 0.000 0.445 307 V N 0.069 119.912 119.914 -0.119 0.000 2.358 307 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 307 V C 2.520 178.570 176.094 -0.073 0.000 1.047 307 V CA 2.329 64.575 62.300 -0.090 0.000 1.035 307 V CB -0.656 31.110 31.823 -0.095 0.000 0.658 307 V HN 0.687 nan 8.190 nan 0.000 0.452 308 K N 0.256 120.607 120.400 -0.082 0.000 2.097 308 K HA -0.180 4.139 4.320 -0.001 0.000 0.206 308 K C 1.589 178.157 176.600 -0.053 0.000 1.049 308 K CA 1.598 57.847 56.287 -0.064 0.000 0.933 308 K CB -0.113 32.346 32.500 -0.068 0.000 0.717 308 K HN 0.380 nan 8.250 nan 0.000 0.442 309 N N 1.476 120.141 118.700 -0.059 0.000 2.383 309 N HA -0.011 4.728 4.740 -0.001 0.000 0.192 309 N C -0.631 174.853 175.510 -0.042 0.000 1.141 309 N CA 0.293 53.314 53.050 -0.048 0.000 0.851 309 N CB 0.201 38.657 38.487 -0.052 0.000 0.976 309 N HN 0.227 nan 8.380 nan 0.000 0.465 310 N N -0.853 117.821 118.700 -0.043 0.000 2.782 310 N HA -0.165 4.575 4.740 -0.001 0.000 0.251 310 N C 0.889 176.379 175.510 -0.034 0.000 1.101 310 N CA 1.369 54.399 53.050 -0.035 0.000 0.764 310 N CB -1.810 36.661 38.487 -0.027 0.000 1.122 310 N HN 0.471 nan 8.380 nan 0.000 0.561 311 T N -2.817 111.712 114.554 -0.042 0.000 3.051 311 T HA 0.346 4.695 4.350 -0.001 0.000 0.255 311 T C 0.763 175.440 174.700 -0.038 0.000 1.085 311 T CA 0.290 62.367 62.100 -0.039 0.000 1.109 311 T CB 0.636 69.477 68.868 -0.045 0.000 0.921 311 T HN 0.257 nan 8.240 nan 0.000 0.488 312 L N 1.955 123.151 121.223 -0.044 0.000 2.422 312 L HA 0.543 4.883 4.340 -0.001 0.000 0.264 312 L C -0.033 176.817 176.870 -0.033 0.000 0.984 312 L CA -1.240 53.577 54.840 -0.039 0.000 0.819 312 L CB 2.484 44.510 42.059 -0.055 0.000 1.330 312 L HN 0.207 nan 8.230 nan 0.000 0.410 313 S N 0.869 116.557 115.700 -0.021 0.000 2.593 313 S HA 0.295 4.765 4.470 -0.001 0.000 0.269 313 S C -2.018 172.572 174.600 -0.016 0.000 1.334 313 S CA -0.966 57.225 58.200 -0.015 0.000 1.015 313 S CB 1.056 64.252 63.200 -0.006 0.000 0.912 313 S HN 0.427 nan 8.310 nan 0.000 0.541 314 P HA -0.177 nan 4.420 nan 0.000 0.216 314 P C 1.731 179.038 177.300 0.011 0.000 1.153 314 P CA 1.248 64.345 63.100 -0.004 0.000 0.858 314 P CB -0.031 31.670 31.700 0.002 0.000 0.789 315 R N -0.621 119.887 120.500 0.014 0.000 2.094 315 R HA -0.150 4.189 4.340 -0.001 0.000 0.239 315 R C 1.855 178.172 176.300 0.028 0.000 1.137 315 R CA 2.508 58.622 56.100 0.023 0.000 0.943 315 R CB -1.133 29.178 30.300 0.019 0.000 0.850 315 R HN 0.112 nan 8.270 nan 0.000 0.433 316 T N -0.273 114.292 114.554 0.018 0.000 2.777 316 T HA -0.054 4.295 4.350 -0.001 0.000 0.266 316 T C 1.694 176.408 174.700 0.024 0.000 1.040 316 T CA 1.244 63.357 62.100 0.022 0.000 1.141 316 T CB -0.548 68.326 68.868 0.010 0.000 0.868 316 T HN 0.617 nan 8.240 nan 0.000 0.444 317 G N 1.589 110.389 108.800 0.000 0.000 2.476 317 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.218 317 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.218 317 G C 1.501 176.425 174.900 0.040 0.000 1.164 317 G CA 0.572 45.662 45.100 -0.017 0.000 0.768 317 G HN 0.409 nan 8.290 nan 0.000 0.560 318 L N -0.251 121.009 121.223 0.060 0.000 2.017 318 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 318 L C 3.003 179.944 176.870 0.119 0.000 1.073 318 L CA 1.554 56.454 54.840 0.101 0.000 0.745 318 L CB -0.475 41.636 42.059 0.086 0.000 0.894 318 L HN 0.264 nan 8.230 nan 0.000 0.432 319 R N 0.402 120.958 120.500 0.093 0.000 2.096 319 R HA -0.259 4.080 4.340 -0.001 0.000 0.240 319 R C 2.389 178.770 176.300 0.135 0.000 1.139 319 R CA 2.258 58.417 56.100 0.097 0.000 0.952 319 R CB -0.221 30.123 30.300 0.072 0.000 0.854 319 R HN 0.580 nan 8.270 nan 0.000 0.436 320 Q N -0.051 119.840 119.800 0.153 0.000 2.172 320 Q HA -0.128 4.211 4.340 -0.001 0.000 0.200 320 Q C 2.146 178.362 176.000 0.360 0.000 0.964 320 Q CA 1.206 57.150 55.803 0.236 0.000 0.855 320 Q CB -0.298 28.581 28.738 0.235 0.000 0.918 320 Q HN 0.395 nan 8.270 nan 0.000 0.444 321 L N 1.080 122.498 121.223 0.325 0.000 2.046 321 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 321 L C 2.589 179.680 176.870 0.367 0.000 1.077 321 L CA 1.372 56.455 54.840 0.405 0.000 0.747 321 L CB -0.405 41.868 42.059 0.357 0.000 0.896 321 L HN 0.255 nan 8.230 nan 0.000 0.432 322 S N -0.474 115.374 115.700 0.245 0.000 2.356 322 S HA -0.205 4.265 4.470 -0.001 0.000 0.223 322 S C 1.824 176.511 174.600 0.145 0.000 1.032 322 S CA 1.368 59.671 58.200 0.171 0.000 1.005 322 S CB -0.217 63.055 63.200 0.121 0.000 0.867 322 S HN 0.446 nan 8.310 nan 0.000 0.449 323 E N 0.143 120.430 120.200 0.146 0.000 2.077 323 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 323 E C 1.800 178.448 176.600 0.079 0.000 0.989 323 E CA 1.108 57.565 56.400 0.096 0.000 0.800 323 E CB -0.264 29.493 29.700 0.095 0.000 0.746 323 E HN 0.512 nan 8.360 nan 0.000 0.452 324 F N 1.335 121.272 119.950 -0.022 0.000 2.126 324 F HA -0.224 4.302 4.527 -0.001 0.000 0.299 324 F C 2.034 177.812 175.800 -0.037 0.000 1.096 324 F CA 1.399 59.326 58.000 -0.122 0.000 1.255 324 F CB -0.035 38.785 39.000 -0.299 0.000 0.997 324 F HN -0.082 nan 8.300 nan 0.000 0.479 325 I N -0.072 120.638 120.570 0.234 0.000 2.179 325 I HA -0.306 3.863 4.170 -0.001 0.000 0.242 325 I C 2.384 178.467 176.117 -0.057 0.000 1.088 325 I CA 0.943 62.278 61.300 0.057 0.000 1.357 325 I CB -0.592 37.423 38.000 0.025 0.000 1.051 325 I HN 0.165 nan 8.210 nan 0.000 0.409 326 Q N 0.340 120.121 119.800 -0.031 0.000 2.096 326 Q HA -0.070 4.269 4.340 -0.001 0.000 0.204 326 Q C 1.175 177.118 176.000 -0.096 0.000 0.982 326 Q CA 1.208 56.980 55.803 -0.051 0.000 0.850 326 Q CB -0.810 27.915 28.738 -0.023 0.000 0.901 326 Q HN 0.463 nan 8.270 nan 0.000 0.422 327 T N 0.000 114.469 114.554 -0.142 0.000 3.816 327 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 327 T CA 0.000 61.981 62.100 -0.197 0.000 1.349 327 T CB 0.000 68.741 68.868 -0.212 0.000 0.612 327 T HN 0.000 nan 8.240 nan 0.000 0.658