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 1t8q_1_C DATA FIRST_RESID 29 DATA SEQUENCE NEKIVIAHRG ASGYLPEHTL PAKAXAYAQG ADYLEQDLVX TKDDNLVVLH DATA SEQUENCE DHYLDRVTDV ADRFPDRARK DGRYYAIDFT LDEIKSLKFT EGFDIENGKK DATA SEQUENCE VQTYPGRFPX GKSDFRVHTF EEEIEFVQGL NHSTGKNIGI YPEIKAPWFH DATA SEQUENCE HQEGKDIAAK TLEVLKKYGY TGKDDKVYLQ CFDADELKRI KNELEPKXGX DATA SEQUENCE ELNLVQLIAY TDWNETQQKQ PDGSWVNYNY DWXFKPGAXK QVAEYADGIG DATA SEQUENCE PDYHXLIEET SQPGNIKLTG XVQDAQQNKL VVHPYTVRSD KLPEYTPDVN DATA SEQUENCE QLYDALYNKA GVNGLFTDFP DKAVKFLN 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 29 N HA 0.000 nan 4.740 nan 0.000 0.220 29 N C 0.000 175.536 175.510 0.043 0.000 1.280 29 N CA 0.000 53.079 53.050 0.048 0.000 0.885 29 N CB 0.000 38.513 38.487 0.044 0.000 1.341 30 E N 0.814 121.031 120.200 0.028 0.000 5.832 30 E HA -0.091 4.258 4.350 -0.001 0.000 0.202 30 E C -1.637 174.970 176.600 0.012 0.000 1.082 30 E CA -0.042 56.362 56.400 0.007 0.000 1.355 30 E CB -0.782 28.926 29.700 0.013 0.000 0.981 30 E HN 0.360 nan 8.360 nan 0.000 0.367 31 K N 2.384 122.772 120.400 -0.020 0.000 2.600 31 K HA 0.061 4.381 4.320 -0.001 0.000 0.280 31 K C 0.690 177.278 176.600 -0.020 0.000 0.971 31 K CA 1.477 57.747 56.287 -0.029 0.000 1.053 31 K CB 0.203 32.556 32.500 -0.245 0.000 0.856 31 K HN 0.406 nan 8.250 nan 0.000 0.495 32 I N -1.832 118.783 120.570 0.075 0.000 2.797 32 I HA 0.555 4.725 4.170 -0.001 0.000 0.307 32 I C -0.730 175.450 176.117 0.104 0.000 1.033 32 I CA -1.354 59.992 61.300 0.077 0.000 1.071 32 I CB 1.895 39.961 38.000 0.110 0.000 1.255 32 I HN 0.064 nan 8.210 nan 0.000 0.445 33 V N 5.014 124.974 119.914 0.078 0.000 2.417 33 V HA 0.477 4.597 4.120 -0.001 0.000 0.291 33 V C -0.072 176.042 176.094 0.034 0.000 1.024 33 V CA -0.366 61.979 62.300 0.074 0.000 0.861 33 V CB 1.490 33.353 31.823 0.067 0.000 0.985 33 V HN 0.513 nan 8.190 nan 0.000 0.436 34 I N 3.970 124.496 120.570 -0.073 0.000 2.382 34 I HA 0.551 4.720 4.170 -0.001 0.000 0.286 34 I C 0.570 176.709 176.117 0.038 0.000 1.002 34 I CA -0.646 60.585 61.300 -0.116 0.000 1.135 34 I CB 1.767 39.347 38.000 -0.700 0.000 1.288 34 I HN 0.660 nan 8.210 nan 0.000 0.448 35 A N 5.975 128.873 122.820 0.130 0.000 2.475 35 A HA 0.060 4.380 4.320 -0.001 0.000 0.293 35 A C 0.251 177.953 177.584 0.197 0.000 1.252 35 A CA -0.098 52.031 52.037 0.153 0.000 0.920 35 A CB -0.503 18.578 19.000 0.135 0.000 1.125 35 A HN 0.793 nan 8.150 nan 0.000 0.528 36 H N 3.797 122.942 119.070 0.126 0.000 3.215 36 H HA 0.073 4.629 4.556 -0.001 0.000 0.253 36 H C 0.181 175.457 175.328 -0.087 0.000 1.102 36 H CA 0.444 56.551 56.048 0.098 0.000 1.482 36 H CB -0.223 29.600 29.762 0.101 0.000 1.542 36 H HN 0.880 nan 8.280 nan 0.000 0.498 37 R N 2.756 123.021 120.500 -0.392 0.000 3.531 37 R HA -0.222 4.118 4.340 -0.001 0.000 0.280 37 R C 0.896 177.009 176.300 -0.311 0.000 1.130 37 R CA 0.463 56.138 56.100 -0.708 0.000 0.757 37 R CB -2.006 27.640 30.300 -1.089 0.000 1.218 37 R HN 1.082 nan 8.270 nan 0.000 0.454 38 G N -0.343 108.416 108.800 -0.068 0.000 2.598 38 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.244 38 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.244 38 G C 0.198 175.073 174.900 -0.041 0.000 1.302 38 G CA 0.201 45.303 45.100 0.003 0.000 0.903 38 G HN 0.932 nan 8.290 nan 0.000 0.575 39 A N 0.166 122.974 122.820 -0.019 0.000 3.033 39 A HA 0.578 4.898 4.320 -0.001 0.000 0.250 39 A C 1.975 179.428 177.584 -0.219 0.000 1.633 39 A CA 1.414 53.413 52.037 -0.063 0.000 1.290 39 A CB -0.983 18.097 19.000 0.135 0.000 1.048 39 A HN 2.244 nan 8.150 nan 0.000 0.648 40 S N -0.775 114.755 115.700 -0.284 0.000 2.493 40 S HA -0.098 4.372 4.470 -0.001 0.000 0.243 40 S C 1.638 175.953 174.600 -0.475 0.000 0.991 40 S CA 1.198 59.205 58.200 -0.323 0.000 0.957 40 S CB -0.372 62.651 63.200 -0.294 0.000 0.756 40 S HN 0.733 nan 8.310 nan 0.000 0.521 41 G N -0.638 107.620 108.800 -0.903 0.000 2.650 41 G HA2 0.128 4.087 3.960 -0.001 0.000 0.214 41 G HA3 0.128 4.087 3.960 -0.001 0.000 0.214 41 G C 0.881 175.282 174.900 -0.832 0.000 1.136 41 G CA 0.303 44.572 45.100 -1.385 0.000 0.789 41 G HN 0.699 nan 8.290 nan 0.000 0.536 42 Y N -1.232 118.913 120.300 -0.258 0.000 2.589 42 Y HA 0.498 5.048 4.550 -0.001 0.000 0.271 42 Y C 0.852 176.780 175.900 0.046 0.000 1.107 42 Y CA -0.590 57.487 58.100 -0.037 0.000 1.273 42 Y CB 0.774 39.230 38.460 -0.007 0.000 1.266 42 Y HN -0.094 nan 8.280 nan 0.000 0.504 43 L N -0.055 121.198 121.223 0.049 0.000 2.327 43 L HA 0.490 4.830 4.340 -0.001 0.000 0.258 43 L C -2.725 173.977 176.870 -0.281 0.000 1.024 43 L CA -2.469 52.271 54.840 -0.167 0.000 0.825 43 L CB 2.251 44.209 42.059 -0.167 0.000 1.386 43 L HN -0.327 nan 8.230 nan 0.000 0.417 44 P HA -0.046 nan 4.420 nan 0.000 0.261 44 P C -1.025 176.153 177.300 -0.203 0.000 1.173 44 P CA -0.071 62.837 63.100 -0.320 0.000 0.760 44 P CB 0.169 31.533 31.700 -0.559 0.000 0.783 45 E N 3.257 123.407 120.200 -0.082 0.000 2.502 45 E HA -0.146 4.204 4.350 -0.001 0.000 0.261 45 E C -0.148 176.313 176.600 -0.232 0.000 0.974 45 E CA -0.059 56.215 56.400 -0.210 0.000 0.936 45 E CB -0.387 29.169 29.700 -0.240 0.000 0.926 45 E HN 0.573 nan 8.360 nan 0.000 0.459 46 H N -0.916 118.038 119.070 -0.192 0.000 4.444 46 H HA -0.240 4.316 4.556 -0.001 0.000 0.136 46 H C 0.161 175.409 175.328 -0.133 0.000 0.754 46 H CA 1.437 57.382 56.048 -0.172 0.000 1.246 46 H CB -1.652 27.972 29.762 -0.231 0.000 0.823 46 H HN 0.864 nan 8.280 nan 0.000 0.476 47 T N -0.316 114.143 114.554 -0.159 0.000 2.937 47 T HA 0.121 4.471 4.350 -0.001 0.000 0.316 47 T C 1.661 176.289 174.700 -0.119 0.000 1.079 47 T CA 0.178 62.204 62.100 -0.123 0.000 1.131 47 T CB 0.906 69.697 68.868 -0.128 0.000 1.000 47 T HN 0.308 nan 8.240 nan 0.000 0.549 48 L N 1.932 123.003 121.223 -0.253 0.000 2.127 48 L HA -0.025 4.315 4.340 -0.001 0.000 0.211 48 L C -0.440 176.249 176.870 -0.302 0.000 1.089 48 L CA 1.254 55.744 54.840 -0.584 0.000 0.757 48 L CB -1.683 39.913 42.059 -0.771 0.000 0.899 48 L HN 0.554 nan 8.230 nan 0.000 0.434 49 P HA -0.124 nan 4.420 nan 0.000 0.217 49 P C 1.514 178.832 177.300 0.030 0.000 1.150 49 P CA 1.564 64.677 63.100 0.022 0.000 0.832 49 P CB 0.063 31.836 31.700 0.121 0.000 0.787 50 A N -0.280 122.529 122.820 -0.019 0.000 1.930 50 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 50 A C 2.072 179.681 177.584 0.041 0.000 1.175 50 A CA 1.447 53.476 52.037 -0.013 0.000 0.627 50 A CB -0.818 18.126 19.000 -0.092 0.000 0.815 50 A HN 0.021 nan 8.150 nan 0.000 0.443 51 K N 0.294 120.706 120.400 0.021 0.000 2.103 51 K HA 0.117 4.437 4.320 -0.001 0.000 0.204 51 K C 1.401 178.186 176.600 0.308 0.000 1.052 51 K CA 0.846 57.215 56.287 0.135 0.000 0.945 51 K CB -0.971 31.545 32.500 0.027 0.000 0.722 51 K HN 0.477 nan 8.250 nan 0.000 0.443 55 Y N 1.558 121.927 120.300 0.116 0.000 2.128 55 Y HA -0.073 4.477 4.550 -0.000 0.000 0.284 55 Y C 2.660 178.592 175.900 0.055 0.000 1.154 55 Y CA 2.663 60.813 58.100 0.083 0.000 1.149 55 Y CB -0.080 38.430 38.460 0.083 0.000 0.976 55 Y HN 0.426 nan 8.280 nan 0.000 0.505 56 A N -0.208 122.811 122.820 0.331 0.000 2.015 56 A HA -0.208 4.112 4.320 -0.001 0.000 0.219 56 A C 1.924 179.586 177.584 0.130 0.000 1.163 56 A CA 1.675 53.838 52.037 0.210 0.000 0.646 56 A CB -0.549 18.538 19.000 0.144 0.000 0.806 56 A HN 0.674 nan 8.150 nan 0.000 0.448 57 Q N -1.593 118.282 119.800 0.126 0.000 2.444 57 Q HA 0.241 4.581 4.340 -0.001 0.000 0.206 57 Q C 0.998 177.039 176.000 0.067 0.000 0.948 57 Q CA 0.384 56.247 55.803 0.100 0.000 0.946 57 Q CB 0.115 28.935 28.738 0.136 0.000 1.027 57 Q HN 0.869 nan 8.270 nan 0.000 0.513 58 G N 0.384 109.208 108.800 0.039 0.000 2.144 58 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.218 58 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.218 58 G C 0.173 175.056 174.900 -0.029 0.000 0.988 58 G CA -0.187 44.906 45.100 -0.011 0.000 0.659 58 G HN 0.487 nan 8.290 nan 0.000 0.522 59 A N 0.188 123.002 122.820 -0.009 0.000 2.498 59 A HA 0.512 4.832 4.320 -0.001 0.000 0.239 59 A C 1.203 178.752 177.584 -0.058 0.000 1.068 59 A CA 0.869 52.912 52.037 0.009 0.000 0.766 59 A CB 0.297 19.335 19.000 0.062 0.000 1.003 59 A HN 0.253 nan 8.150 nan 0.000 0.497 60 D N -0.118 120.286 120.400 0.007 0.000 2.249 60 D HA 0.060 4.700 4.640 -0.001 0.000 0.205 60 D C -0.581 175.636 176.300 -0.138 0.000 0.962 60 D CA 1.638 55.613 54.000 -0.041 0.000 0.860 60 D CB 0.147 41.016 40.800 0.116 0.000 0.955 60 D HN 0.633 nan 8.370 nan 0.000 0.505 61 Y N -0.413 119.907 120.300 0.033 0.000 2.534 61 Y HA 0.386 4.935 4.550 -0.000 0.000 0.345 61 Y C -0.463 175.517 175.900 0.134 0.000 1.031 61 Y CA -0.876 57.294 58.100 0.118 0.000 1.022 61 Y CB 2.024 40.620 38.460 0.227 0.000 1.292 61 Y HN -0.344 nan 8.280 nan 0.000 0.459 62 L N 2.702 124.126 121.223 0.334 0.000 2.322 62 L HA 0.469 4.809 4.340 -0.001 0.000 0.281 62 L C -0.241 176.840 176.870 0.352 0.000 1.014 62 L CA -0.742 54.275 54.840 0.294 0.000 0.815 62 L CB 1.812 44.040 42.059 0.282 0.000 1.247 62 L HN 0.611 nan 8.230 nan 0.000 0.421 63 E N 2.534 122.920 120.200 0.311 0.000 2.266 63 E HA 0.336 4.686 4.350 -0.001 0.000 0.277 63 E C -1.256 175.527 176.600 0.304 0.000 1.018 63 E CA -0.574 56.021 56.400 0.324 0.000 0.840 63 E CB 1.524 31.385 29.700 0.268 0.000 1.082 63 E HN 0.499 nan 8.360 nan 0.000 0.395 64 Q N 1.813 121.756 119.800 0.239 0.000 2.377 64 Q HA 0.410 4.750 4.340 -0.001 0.000 0.271 64 Q C -1.412 174.548 176.000 -0.067 0.000 1.077 64 Q CA -0.642 55.192 55.803 0.052 0.000 0.820 64 Q CB 2.050 30.794 28.738 0.009 0.000 1.347 64 Q HN 0.327 nan 8.270 nan 0.000 0.444 65 D N 1.438 121.650 120.400 -0.313 0.000 2.375 65 D HA 0.503 5.143 4.640 -0.001 0.000 0.247 65 D C -0.894 175.227 176.300 -0.298 0.000 1.061 65 D CA -0.271 53.611 54.000 -0.197 0.000 0.834 65 D CB 1.483 42.269 40.800 -0.023 0.000 1.247 65 D HN 0.329 nan 8.370 nan 0.000 0.489 66 L N 1.768 122.837 121.223 -0.255 0.000 2.365 66 L HA 0.690 5.029 4.340 -0.001 0.000 0.273 66 L C 0.112 176.870 176.870 -0.186 0.000 1.000 66 L CA -1.044 53.626 54.840 -0.285 0.000 0.819 66 L CB 1.905 43.701 42.059 -0.438 0.000 1.284 66 L HN 0.167 nan 8.230 nan 0.000 0.418 70 K N 0.403 120.834 120.400 0.051 0.000 2.063 70 K HA -0.158 4.162 4.320 -0.001 0.000 0.208 70 K C 1.120 177.725 176.600 0.009 0.000 1.048 70 K CA 2.321 58.613 56.287 0.007 0.000 0.928 70 K CB -0.397 32.090 32.500 -0.022 0.000 0.713 70 K HN 0.744 nan 8.250 nan 0.000 0.442 71 D N 0.571 120.986 120.400 0.024 0.000 2.344 71 D HA -0.060 4.580 4.640 -0.001 0.000 0.242 71 D C -0.661 175.656 176.300 0.030 0.000 1.159 71 D CA 0.270 54.285 54.000 0.024 0.000 0.859 71 D CB -0.274 40.544 40.800 0.030 0.000 0.925 71 D HN 0.182 nan 8.370 nan 0.000 0.510 72 D N -0.150 120.268 120.400 0.031 0.000 2.800 72 D HA -0.157 4.483 4.640 -0.001 0.000 0.232 72 D C -0.582 175.745 176.300 0.046 0.000 1.137 72 D CA 0.511 54.532 54.000 0.034 0.000 0.718 72 D CB -1.599 39.216 40.800 0.025 0.000 1.084 72 D HN 0.451 nan 8.370 nan 0.000 0.432 73 N N 0.238 118.970 118.700 0.053 0.000 2.466 73 N HA 0.435 5.175 4.740 -0.001 0.000 0.294 73 N C -0.248 175.298 175.510 0.060 0.000 1.129 73 N CA -0.580 52.507 53.050 0.063 0.000 0.931 73 N CB 1.498 40.023 38.487 0.063 0.000 1.193 73 N HN -0.008 nan 8.380 nan 0.000 0.500 74 L N 2.377 123.644 121.223 0.073 0.000 2.255 74 L HA 0.322 4.662 4.340 -0.001 0.000 0.289 74 L C -0.213 176.683 176.870 0.044 0.000 1.046 74 L CA -0.633 54.236 54.840 0.048 0.000 0.816 74 L CB 0.701 42.812 42.059 0.087 0.000 1.197 74 L HN 0.277 nan 8.230 nan 0.000 0.427 75 V N 2.647 122.552 119.914 -0.015 0.000 2.881 75 V HA 0.640 4.760 4.120 -0.001 0.000 0.316 75 V C -0.140 175.854 176.094 -0.165 0.000 1.070 75 V CA -0.924 61.337 62.300 -0.065 0.000 0.976 75 V CB 1.857 33.647 31.823 -0.055 0.000 1.038 75 V HN 0.253 nan 8.190 nan 0.000 0.446 76 V N 4.624 124.362 119.914 -0.294 0.000 2.322 76 V HA 0.437 4.557 4.120 -0.001 0.000 0.258 76 V C -0.025 175.818 176.094 -0.419 0.000 1.074 76 V CA 0.086 62.117 62.300 -0.449 0.000 0.909 76 V CB -0.207 31.267 31.823 -0.581 0.000 1.090 76 V HN 0.699 nan 8.190 nan 0.000 0.486 77 L N 4.267 125.337 121.223 -0.256 0.000 2.431 77 L HA 0.497 4.837 4.340 -0.001 0.000 0.266 77 L C 1.340 178.241 176.870 0.050 0.000 0.978 77 L CA -0.840 53.990 54.840 -0.017 0.000 0.822 77 L CB 2.421 44.494 42.059 0.023 0.000 1.310 77 L HN 0.745 nan 8.230 nan 0.000 0.409 78 H N 0.619 119.735 119.070 0.078 0.000 2.489 78 H HA -0.036 4.520 4.556 -0.001 0.000 0.293 78 H C -0.464 174.888 175.328 0.040 0.000 1.066 78 H CA 1.229 57.333 56.048 0.093 0.000 1.305 78 H CB -0.058 29.763 29.762 0.099 0.000 1.386 78 H HN 0.745 nan 8.280 nan 0.000 0.551 79 D N -1.139 119.011 120.400 -0.417 0.000 2.825 79 D HA -0.016 4.624 4.640 -0.001 0.000 0.327 79 D C 0.933 177.107 176.300 -0.211 0.000 1.277 79 D CA -0.458 53.354 54.000 -0.313 0.000 0.950 79 D CB -0.102 40.427 40.800 -0.453 0.000 1.438 79 D HN 0.181 nan 8.370 nan 0.000 0.526 80 H N -1.543 117.281 119.070 -0.411 0.000 2.547 80 H HA 0.160 4.716 4.556 -0.001 0.000 0.266 80 H C -0.533 174.439 175.328 -0.593 0.000 0.988 80 H CA 0.106 55.865 56.048 -0.482 0.000 1.147 80 H CB -0.812 28.509 29.762 -0.736 0.000 1.365 80 H HN 0.265 nan 8.280 nan 0.000 0.589 81 Y N 0.227 120.167 120.300 -0.600 0.000 2.403 81 Y HA 0.297 4.847 4.550 -0.001 0.000 0.323 81 Y C 1.273 177.013 175.900 -0.267 0.000 1.226 81 Y CA -0.787 56.986 58.100 -0.546 0.000 1.235 81 Y CB 1.699 39.788 38.460 -0.617 0.000 1.248 81 Y HN -0.093 nan 8.280 nan 0.000 0.489 82 L N 0.426 121.640 121.223 -0.015 0.000 2.717 82 L HA 0.068 4.408 4.340 -0.001 0.000 0.239 82 L C 0.840 177.674 176.870 -0.059 0.000 1.086 82 L CA 0.205 55.015 54.840 -0.050 0.000 0.897 82 L CB 0.194 42.167 42.059 -0.142 0.000 1.214 82 L HN 0.672 nan 8.230 nan 0.000 0.508 83 D N -0.702 119.696 120.400 -0.003 0.000 2.338 83 D HA -0.083 4.556 4.640 -0.001 0.000 0.239 83 D C 1.483 177.696 176.300 -0.144 0.000 1.095 83 D CA 0.292 54.300 54.000 0.014 0.000 0.888 83 D CB 0.093 41.027 40.800 0.223 0.000 0.899 83 D HN 0.047 nan 8.370 nan 0.000 0.525 84 R N -0.102 120.184 120.500 -0.357 0.000 2.531 84 R HA 0.169 4.509 4.340 -0.001 0.000 0.316 84 R C 1.144 176.844 176.300 -1.000 0.000 0.955 84 R CA 0.466 56.017 56.100 -0.916 0.000 1.120 84 R CB 1.081 31.029 30.300 -0.586 0.000 1.361 84 R HN 0.294 nan 8.270 nan 0.000 0.534 85 V N -2.843 116.797 119.914 -0.457 0.000 3.382 85 V HA 0.325 4.445 4.120 -0.001 0.000 0.296 85 V C 0.437 176.280 176.094 -0.418 0.000 1.529 85 V CA 0.323 62.331 62.300 -0.487 0.000 1.048 85 V CB 0.739 32.240 31.823 -0.537 0.000 0.878 85 V HN 0.116 nan 8.190 nan 0.000 0.442 86 T N -1.963 112.526 114.554 -0.109 0.000 2.804 86 T HA 0.481 4.831 4.350 -0.001 0.000 0.290 86 T C -0.242 174.471 174.700 0.022 0.000 1.099 86 T CA 0.379 62.445 62.100 -0.057 0.000 1.011 86 T CB 1.944 70.777 68.868 -0.060 0.000 1.291 86 T HN 0.287 nan 8.240 nan 0.000 0.523 87 D N 0.543 120.930 120.400 -0.022 0.000 2.370 87 D HA 0.044 4.684 4.640 -0.001 0.000 0.230 87 D C 1.664 177.911 176.300 -0.088 0.000 1.143 87 D CA -0.335 53.634 54.000 -0.051 0.000 0.834 87 D CB -0.096 40.677 40.800 -0.045 0.000 0.944 87 D HN 0.295 nan 8.370 nan 0.000 0.504 88 V N 1.144 120.974 119.914 -0.139 0.000 2.317 88 V HA -0.342 3.778 4.120 -0.001 0.000 0.251 88 V C 2.373 178.228 176.094 -0.399 0.000 1.065 88 V CA 2.477 64.635 62.300 -0.238 0.000 1.049 88 V CB -0.589 30.967 31.823 -0.444 0.000 0.651 88 V HN 0.367 nan 8.190 nan 0.000 0.450 89 A N -0.626 121.877 122.820 -0.528 0.000 1.940 89 A HA -0.239 4.081 4.320 -0.001 0.000 0.219 89 A C 1.969 179.464 177.584 -0.149 0.000 1.176 89 A CA 2.089 53.836 52.037 -0.483 0.000 0.631 89 A CB -0.652 18.265 19.000 -0.139 0.000 0.814 89 A HN 0.671 nan 8.150 nan 0.000 0.446 90 D N -0.871 119.460 120.400 -0.115 0.000 2.137 90 D HA -0.056 4.584 4.640 -0.001 0.000 0.202 90 D C 2.176 178.407 176.300 -0.115 0.000 0.970 90 D CA 0.680 54.632 54.000 -0.081 0.000 0.837 90 D CB -0.271 40.481 40.800 -0.079 0.000 0.981 90 D HN 0.200 nan 8.370 nan 0.000 0.475 91 R N 0.139 120.548 120.500 -0.151 0.000 2.075 91 R HA -0.002 4.337 4.340 -0.001 0.000 0.232 91 R C 0.622 176.546 176.300 -0.626 0.000 1.126 91 R CA 0.591 56.469 56.100 -0.371 0.000 0.963 91 R CB -0.564 29.538 30.300 -0.331 0.000 0.858 91 R HN 0.243 nan 8.270 nan 0.000 0.435 92 F N 1.171 121.128 119.950 0.011 0.000 2.564 92 F HA 0.316 4.842 4.527 -0.001 0.000 0.329 92 F C -1.505 174.411 175.800 0.193 0.000 1.458 92 F CA -2.285 55.803 58.000 0.147 0.000 1.117 92 F CB 1.216 40.431 39.000 0.358 0.000 1.383 92 F HN -0.095 nan 8.300 nan 0.000 0.571 93 P HA -0.205 nan 4.420 nan 0.000 0.217 93 P C 0.351 177.858 177.300 0.345 0.000 1.148 93 P CA 1.695 64.954 63.100 0.266 0.000 0.834 93 P CB 0.434 32.215 31.700 0.134 0.000 0.783 94 D N -1.205 119.369 120.400 0.291 0.000 2.368 94 D HA 0.064 4.703 4.640 -0.001 0.000 0.218 94 D C 1.489 177.930 176.300 0.235 0.000 1.112 94 D CA 0.005 54.137 54.000 0.221 0.000 0.834 94 D CB 0.090 40.977 40.800 0.145 0.000 0.953 94 D HN 0.114 nan 8.370 nan 0.000 0.505 95 R N 0.563 121.300 120.500 0.395 0.000 2.334 95 R HA 0.274 4.614 4.340 -0.001 0.000 0.216 95 R C 0.741 177.184 176.300 0.239 0.000 0.905 95 R CA -0.193 56.085 56.100 0.298 0.000 1.064 95 R CB 0.123 30.637 30.300 0.357 0.000 1.046 95 R HN 0.031 nan 8.270 nan 0.000 0.508 96 A N 1.375 124.249 122.820 0.090 0.000 2.327 96 A HA 0.320 4.640 4.320 -0.001 0.000 0.255 96 A C 0.496 178.032 177.584 -0.081 0.000 1.099 96 A CA -0.169 51.674 52.037 -0.324 0.000 0.801 96 A CB 0.600 19.102 19.000 -0.830 0.000 1.062 96 A HN 0.133 nan 8.150 nan 0.000 0.496 97 R N -0.488 120.002 120.500 -0.017 0.000 2.541 97 R HA 0.240 4.579 4.340 -0.001 0.000 0.254 97 R C 0.839 177.142 176.300 0.006 0.000 1.130 97 R CA -0.652 55.461 56.100 0.021 0.000 1.152 97 R CB 0.376 30.714 30.300 0.064 0.000 1.222 97 R HN 0.746 nan 8.270 nan 0.000 0.579 98 K N 0.880 121.286 120.400 0.009 0.000 2.360 98 K HA -0.154 4.165 4.320 -0.001 0.000 0.201 98 K C 0.729 177.342 176.600 0.022 0.000 1.046 98 K CA 1.633 57.926 56.287 0.010 0.000 0.940 98 K CB -0.069 32.436 32.500 0.009 0.000 0.748 98 K HN 0.529 nan 8.250 nan 0.000 0.465 99 D N -1.123 119.307 120.400 0.049 0.000 2.349 99 D HA 0.049 4.688 4.640 -0.001 0.000 0.214 99 D C 1.064 177.374 176.300 0.016 0.000 1.063 99 D CA 0.533 54.566 54.000 0.055 0.000 0.847 99 D CB 0.236 41.107 40.800 0.119 0.000 0.933 99 D HN 0.178 nan 8.370 nan 0.000 0.513 100 G N 0.292 109.078 108.800 -0.024 0.000 2.184 100 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.264 100 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.264 100 G C 0.216 174.989 174.900 -0.212 0.000 0.975 100 G CA -0.059 44.980 45.100 -0.102 0.000 0.642 100 G HN 0.344 nan 8.290 nan 0.000 0.536 101 R N -0.495 119.936 120.500 -0.115 0.000 2.536 101 R HA 0.586 4.926 4.340 -0.001 0.000 0.279 101 R C -0.610 175.589 176.300 -0.168 0.000 1.001 101 R CA -0.819 55.192 56.100 -0.147 0.000 1.027 101 R CB 0.442 30.697 30.300 -0.074 0.000 1.096 101 R HN 0.236 nan 8.270 nan 0.000 0.502 102 Y N 1.338 121.682 120.300 0.074 0.000 2.328 102 Y HA 0.303 4.853 4.550 -0.001 0.000 0.337 102 Y C -0.193 175.744 175.900 0.061 0.000 1.008 102 Y CA -0.400 57.828 58.100 0.213 0.000 1.129 102 Y CB 0.911 39.478 38.460 0.180 0.000 1.185 102 Y HN 0.373 nan 8.280 nan 0.000 0.476 103 Y N 0.643 121.165 120.300 0.369 0.000 2.341 103 Y HA 0.460 5.010 4.550 -0.001 0.000 0.337 103 Y C 1.078 177.161 175.900 0.304 0.000 1.014 103 Y CA -0.769 57.433 58.100 0.170 0.000 1.111 103 Y CB 1.905 40.414 38.460 0.082 0.000 1.194 103 Y HN 0.789 nan 8.280 nan 0.000 0.462 104 A N 3.118 126.091 122.820 0.256 0.000 1.940 104 A HA -0.209 4.111 4.320 -0.001 0.000 0.219 104 A C 1.950 179.710 177.584 0.294 0.000 1.176 104 A CA 1.699 53.876 52.037 0.233 0.000 0.631 104 A CB -0.698 18.363 19.000 0.102 0.000 0.814 104 A HN 0.961 nan 8.150 nan 0.000 0.446 105 I N -0.527 120.198 120.570 0.259 0.000 2.850 105 I HA -0.173 3.997 4.170 -0.001 0.000 0.266 105 I C 0.632 176.801 176.117 0.086 0.000 1.257 105 I CA 1.194 62.583 61.300 0.149 0.000 1.465 105 I CB -0.070 37.977 38.000 0.077 0.000 1.091 105 I HN 0.209 nan 8.210 nan 0.000 0.467 106 D N -0.102 120.370 120.400 0.121 0.000 2.339 106 D HA 0.106 4.745 4.640 -0.001 0.000 0.217 106 D C -0.231 175.811 176.300 -0.429 0.000 1.050 106 D CA 0.510 54.409 54.000 -0.169 0.000 0.856 106 D CB 0.208 40.850 40.800 -0.264 0.000 0.922 106 D HN 0.162 nan 8.370 nan 0.000 0.518 107 F N 0.320 120.247 119.950 -0.037 0.000 2.522 107 F HA 0.248 4.774 4.527 -0.001 0.000 0.324 107 F C 1.169 176.928 175.800 -0.070 0.000 1.077 107 F CA -1.192 56.742 58.000 -0.111 0.000 0.944 107 F CB 1.286 40.169 39.000 -0.194 0.000 1.175 107 F HN -0.351 nan 8.300 nan 0.000 0.468 108 T N -0.450 114.166 114.554 0.102 0.000 2.754 108 T HA 0.165 4.515 4.350 -0.001 0.000 0.286 108 T C 0.930 175.680 174.700 0.083 0.000 0.997 108 T CA -0.642 61.502 62.100 0.073 0.000 0.982 108 T CB 0.829 69.730 68.868 0.055 0.000 1.027 108 T HN 0.588 nan 8.240 nan 0.000 0.529 109 L N 0.607 121.871 121.223 0.068 0.000 2.017 109 L HA 0.009 4.348 4.340 -0.001 0.000 0.208 109 L C 2.046 178.955 176.870 0.065 0.000 1.073 109 L CA 1.956 56.833 54.840 0.062 0.000 0.745 109 L CB -1.292 40.803 42.059 0.059 0.000 0.894 109 L HN 0.714 nan 8.230 nan 0.000 0.432 110 D N -0.167 120.276 120.400 0.071 0.000 2.133 110 D HA -0.213 4.427 4.640 -0.001 0.000 0.195 110 D C 2.106 178.471 176.300 0.108 0.000 0.997 110 D CA 1.596 55.646 54.000 0.084 0.000 0.840 110 D CB -0.011 40.840 40.800 0.084 0.000 0.947 110 D HN 0.558 nan 8.370 nan 0.000 0.452 111 E N -0.019 120.245 120.200 0.106 0.000 2.047 111 E HA -0.097 4.252 4.350 -0.001 0.000 0.191 111 E C 2.391 179.024 176.600 0.056 0.000 0.987 111 E CA 0.466 56.937 56.400 0.118 0.000 0.799 111 E CB -0.040 29.646 29.700 -0.023 0.000 0.752 111 E HN 0.304 nan 8.360 nan 0.000 0.449 112 I N 1.226 121.795 120.570 -0.001 0.000 2.286 112 I HA -0.264 3.905 4.170 -0.001 0.000 0.248 112 I C 2.181 178.319 176.117 0.035 0.000 1.115 112 I CA 1.157 62.435 61.300 -0.037 0.000 1.392 112 I CB -0.162 37.824 38.000 -0.023 0.000 1.065 112 I HN -0.008 nan 8.210 nan 0.000 0.418 113 K N 0.482 120.919 120.400 0.061 0.000 2.515 113 K HA -0.081 4.239 4.320 -0.001 0.000 0.196 113 K C 1.985 178.638 176.600 0.089 0.000 1.038 113 K CA 1.353 57.684 56.287 0.073 0.000 0.967 113 K CB -0.052 32.489 32.500 0.068 0.000 0.780 113 K HN 0.403 nan 8.250 nan 0.000 0.483 114 S N -0.037 115.732 115.700 0.115 0.000 2.524 114 S HA 0.107 4.577 4.470 -0.001 0.000 0.216 114 S C 0.790 175.463 174.600 0.123 0.000 0.987 114 S CA -0.360 57.916 58.200 0.126 0.000 0.909 114 S CB -0.101 63.204 63.200 0.175 0.000 0.781 114 S HN 0.048 nan 8.310 nan 0.000 0.521 115 L N 1.831 123.129 121.223 0.124 0.000 2.452 115 L HA 0.369 4.709 4.340 -0.001 0.000 0.267 115 L C 0.085 177.020 176.870 0.108 0.000 1.188 115 L CA -0.533 54.368 54.840 0.102 0.000 0.821 115 L CB 0.364 42.459 42.059 0.058 0.000 1.102 115 L HN 0.019 nan 8.230 nan 0.000 0.470 116 K N 2.627 123.082 120.400 0.092 0.000 2.253 116 K HA 0.307 4.627 4.320 -0.001 0.000 0.277 116 K C -0.649 176.048 176.600 0.161 0.000 1.053 116 K CA -0.283 56.080 56.287 0.127 0.000 0.892 116 K CB 0.842 33.394 32.500 0.087 0.000 1.102 116 K HN 0.248 nan 8.250 nan 0.000 0.469 117 F N 1.464 121.483 119.950 0.115 0.000 2.389 117 F HA 0.314 4.841 4.527 -0.000 0.000 0.337 117 F C 0.658 176.536 175.800 0.131 0.000 1.112 117 F CA 0.550 58.614 58.000 0.106 0.000 1.192 117 F CB 1.161 40.219 39.000 0.097 0.000 1.185 117 F HN 0.445 nan 8.300 nan 0.000 0.552 118 T N 3.300 117.553 114.554 -0.501 0.000 2.821 118 T HA 0.247 4.597 4.350 -0.001 0.000 0.306 118 T C -1.373 173.159 174.700 -0.279 0.000 1.313 118 T CA -0.761 61.236 62.100 -0.172 0.000 1.012 118 T CB 1.232 70.087 68.868 -0.022 0.000 1.298 118 T HN 0.673 nan 8.240 nan 0.000 0.502 119 E N 1.258 121.438 120.200 -0.033 0.000 2.452 119 E HA 0.413 4.762 4.350 -0.001 0.000 0.261 119 E C 0.819 177.427 176.600 0.013 0.000 0.987 119 E CA 0.621 57.029 56.400 0.012 0.000 0.926 119 E CB 0.169 29.942 29.700 0.120 0.000 0.934 119 E HN 0.842 nan 8.360 nan 0.000 0.452 120 G N 3.640 112.406 108.800 -0.057 0.000 2.464 120 G HA2 0.307 4.267 3.960 -0.001 0.000 0.231 120 G HA3 0.307 4.267 3.960 -0.001 0.000 0.231 120 G C -0.552 174.354 174.900 0.009 0.000 1.267 120 G CA 0.346 45.369 45.100 -0.128 0.000 0.863 120 G HN 0.520 nan 8.290 nan 0.000 0.559 121 F N -0.842 119.034 119.950 -0.124 0.000 2.664 121 F HA 0.728 5.254 4.527 -0.001 0.000 0.317 121 F C -0.826 174.907 175.800 -0.112 0.000 1.108 121 F CA -1.634 56.301 58.000 -0.108 0.000 0.957 121 F CB 1.641 40.583 39.000 -0.097 0.000 1.365 121 F HN 0.311 nan 8.300 nan 0.000 0.475 122 D N 1.304 121.759 120.400 0.093 0.000 2.490 122 D HA 0.426 5.066 4.640 -0.001 0.000 0.232 122 D C -0.767 175.605 176.300 0.120 0.000 1.053 122 D CA -0.194 53.801 54.000 -0.007 0.000 0.914 122 D CB 2.929 43.687 40.800 -0.070 0.000 1.431 122 D HN 0.363 nan 8.370 nan 0.000 0.483 123 I N 1.300 121.907 120.570 0.061 0.000 2.312 123 I HA 0.149 4.318 4.170 -0.001 0.000 0.291 123 I C 0.497 176.621 176.117 0.013 0.000 1.031 123 I CA -0.071 61.269 61.300 0.065 0.000 1.293 123 I CB 0.485 38.515 38.000 0.049 0.000 1.403 123 I HN 0.323 nan 8.210 nan 0.000 0.484 124 E N 7.570 127.776 120.200 0.009 0.000 2.145 124 E HA 0.214 4.564 4.350 -0.001 0.000 0.262 124 E C -0.497 176.097 176.600 -0.010 0.000 0.883 124 E CA -0.450 55.944 56.400 -0.010 0.000 0.748 124 E CB 0.583 30.274 29.700 -0.015 0.000 1.140 124 E HN 0.487 nan 8.360 nan 0.000 0.417 125 N N 3.668 122.360 118.700 -0.012 0.000 2.714 125 N HA -0.224 4.516 4.740 -0.001 0.000 0.253 125 N C 0.637 176.141 175.510 -0.009 0.000 1.024 125 N CA 1.360 54.403 53.050 -0.011 0.000 0.726 125 N CB -1.393 37.086 38.487 -0.013 0.000 0.908 125 N HN 0.990 nan 8.380 nan 0.000 0.542 126 G N -1.050 107.748 108.800 -0.004 0.000 2.189 126 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.267 126 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.267 126 G C 0.060 174.957 174.900 -0.005 0.000 0.975 126 G CA 1.195 46.295 45.100 0.000 0.000 0.644 126 G HN 0.734 nan 8.290 nan 0.000 0.537 127 K N 0.545 120.940 120.400 -0.009 0.000 2.259 127 K HA 0.529 4.849 4.320 -0.001 0.000 0.252 127 K C 0.121 176.709 176.600 -0.020 0.000 0.936 127 K CA -0.950 55.322 56.287 -0.025 0.000 0.810 127 K CB 0.856 33.337 32.500 -0.031 0.000 1.143 127 K HN 0.098 nan 8.250 nan 0.000 0.427 128 K N 2.095 122.452 120.400 -0.071 0.000 2.368 128 K HA 0.206 4.526 4.320 -0.001 0.000 0.282 128 K C -0.851 175.715 176.600 -0.055 0.000 1.035 128 K CA -0.351 55.876 56.287 -0.100 0.000 0.973 128 K CB 1.160 33.396 32.500 -0.440 0.000 0.957 128 K HN 0.230 nan 8.250 nan 0.000 0.474 129 V N 3.312 123.249 119.914 0.039 0.000 2.623 129 V HA 0.101 4.221 4.120 -0.001 0.000 0.304 129 V C -0.331 175.804 176.094 0.068 0.000 1.054 129 V CA -0.954 61.359 62.300 0.022 0.000 0.882 129 V CB 1.691 33.516 31.823 0.002 0.000 1.002 129 V HN 0.741 nan 8.190 nan 0.000 0.424 130 Q N 1.784 121.611 119.800 0.045 0.000 2.274 130 Q HA 0.079 4.418 4.340 -0.001 0.000 0.280 130 Q C 1.093 177.093 176.000 0.000 0.000 1.047 130 Q CA 0.429 56.269 55.803 0.061 0.000 0.907 130 Q CB 1.105 29.873 28.738 0.051 0.000 1.171 130 Q HN 0.918 nan 8.270 nan 0.000 0.381 131 T N 3.732 118.263 114.554 -0.039 0.000 2.652 131 T HA -0.168 4.182 4.350 -0.001 0.000 0.267 131 T C -0.232 174.276 174.700 -0.321 0.000 1.039 131 T CA 1.453 63.420 62.100 -0.221 0.000 1.153 131 T CB -0.105 68.580 68.868 -0.305 0.000 0.863 131 T HN 0.501 nan 8.240 nan 0.000 0.428 132 Y N 1.816 122.122 120.300 0.010 0.000 2.587 132 Y HA 0.296 4.846 4.550 -0.001 0.000 0.328 132 Y C -1.622 174.299 175.900 0.036 0.000 0.980 132 Y CA -2.952 55.164 58.100 0.028 0.000 1.272 132 Y CB 1.248 39.731 38.460 0.038 0.000 1.094 132 Y HN 0.085 nan 8.280 nan 0.000 0.503 133 P HA -0.148 nan 4.420 nan 0.000 0.219 133 P C 1.383 178.745 177.300 0.103 0.000 1.146 133 P CA 1.517 64.672 63.100 0.092 0.000 0.808 133 P CB 0.360 32.091 31.700 0.052 0.000 0.779 134 G N -0.691 108.193 108.800 0.141 0.000 2.848 134 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.208 134 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.208 134 G C 1.056 176.050 174.900 0.156 0.000 1.152 134 G CA -0.162 45.020 45.100 0.135 0.000 0.789 134 G HN 0.260 nan 8.290 nan 0.000 0.531 135 R N -1.246 119.350 120.500 0.160 0.000 2.519 135 R HA 0.372 4.712 4.340 -0.001 0.000 0.244 135 R C -0.374 176.018 176.300 0.153 0.000 1.241 135 R CA -1.025 55.169 56.100 0.156 0.000 1.120 135 R CB 0.303 30.676 30.300 0.122 0.000 1.333 135 R HN 0.123 nan 8.270 nan 0.000 0.587 136 F N 3.579 123.555 119.950 0.043 0.000 2.629 136 F HA -0.001 4.526 4.527 -0.001 0.000 0.377 136 F C -1.526 174.296 175.800 0.037 0.000 1.101 136 F CA -0.904 57.118 58.000 0.038 0.000 1.301 136 F CB 0.350 39.333 39.000 -0.027 0.000 1.062 136 F HN 0.289 nan 8.300 nan 0.000 0.583 140 K N 1.556 122.120 120.400 0.273 0.000 2.202 140 K HA 0.611 4.931 4.320 -0.001 0.000 0.264 140 K C 1.007 177.923 176.600 0.525 0.000 1.010 140 K CA 0.624 57.100 56.287 0.315 0.000 0.940 140 K CB 1.283 33.880 32.500 0.162 0.000 0.983 140 K HN 0.325 nan 8.250 nan 0.000 0.475 141 S N 0.464 116.349 115.700 0.309 0.000 3.525 141 S HA -0.320 4.149 4.470 -0.001 0.000 0.629 141 S C -0.682 173.929 174.600 0.018 0.000 2.621 141 S CA 1.490 59.781 58.200 0.152 0.000 3.752 141 S CB -0.800 62.505 63.200 0.175 0.000 0.260 141 S HN 0.887 nan 8.310 nan 0.000 1.214 142 D N -0.008 120.195 120.400 -0.329 0.000 2.890 142 D HA 0.650 5.290 4.640 -0.001 0.000 0.233 142 D C -1.196 174.743 176.300 -0.601 0.000 1.306 142 D CA -0.342 53.500 54.000 -0.264 0.000 0.929 142 D CB 0.543 41.244 40.800 -0.165 0.000 1.512 142 D HN 0.348 nan 8.370 nan 0.000 0.568 143 F N 1.819 121.812 119.950 0.072 0.000 2.613 143 F HA 0.691 5.217 4.527 -0.000 0.000 0.314 143 F C 0.561 176.436 175.800 0.124 0.000 1.075 143 F CA -0.823 57.217 58.000 0.068 0.000 0.945 143 F CB 2.094 41.157 39.000 0.105 0.000 1.310 143 F HN 0.112 nan 8.300 nan 0.000 0.467 144 R N -0.205 120.448 120.500 0.254 0.000 2.810 144 R HA 0.772 5.112 4.340 -0.001 0.000 0.266 144 R C -1.928 174.396 176.300 0.041 0.000 1.061 144 R CA -1.225 54.985 56.100 0.184 0.000 0.943 144 R CB 1.968 32.336 30.300 0.113 0.000 1.237 144 R HN 0.313 nan 8.270 nan 0.000 0.459 145 V N 1.495 121.435 119.914 0.043 0.000 2.481 145 V HA 0.334 4.454 4.120 -0.001 0.000 0.286 145 V C -0.447 175.618 176.094 -0.048 0.000 1.042 145 V CA -0.518 61.727 62.300 -0.092 0.000 0.928 145 V CB 1.048 32.867 31.823 -0.007 0.000 0.986 145 V HN 0.840 nan 8.190 nan 0.000 0.462 146 H N 0.350 119.372 119.070 -0.081 0.000 2.864 146 H HA 0.828 5.384 4.556 -0.000 0.000 0.354 146 H C 0.014 175.325 175.328 -0.029 0.000 1.208 146 H CA -0.523 55.493 56.048 -0.054 0.000 1.191 146 H CB 1.108 30.817 29.762 -0.088 0.000 1.889 146 H HN 0.619 nan 8.280 nan 0.000 0.574 147 T N -2.037 112.615 114.554 0.162 0.000 2.824 147 T HA 0.107 4.456 4.350 -0.001 0.000 0.277 147 T C 0.619 175.462 174.700 0.238 0.000 0.975 147 T CA -0.634 61.546 62.100 0.133 0.000 0.966 147 T CB 0.600 69.539 68.868 0.119 0.000 1.054 147 T HN 0.512 nan 8.240 nan 0.000 0.533 148 F N 1.178 121.131 119.950 0.005 0.000 2.146 148 F HA 0.103 4.630 4.527 -0.000 0.000 0.298 148 F C 2.151 177.924 175.800 -0.045 0.000 1.096 148 F CA 1.173 59.163 58.000 -0.016 0.000 1.275 148 F CB -0.904 38.075 39.000 -0.034 0.000 1.008 148 F HN 0.721 nan 8.300 nan 0.000 0.480 149 E N 0.289 120.444 120.200 -0.075 0.000 2.077 149 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 149 E C 2.085 178.566 176.600 -0.198 0.000 0.989 149 E CA 1.630 57.871 56.400 -0.264 0.000 0.800 149 E CB -0.289 29.419 29.700 0.014 0.000 0.746 149 E HN 0.496 nan 8.360 nan 0.000 0.452 150 E N 0.341 120.527 120.200 -0.023 0.000 2.153 150 E HA -0.225 4.125 4.350 -0.001 0.000 0.194 150 E C 1.968 178.532 176.600 -0.059 0.000 0.988 150 E CA 1.056 57.448 56.400 -0.012 0.000 0.811 150 E CB 0.018 29.741 29.700 0.037 0.000 0.746 150 E HN 0.275 nan 8.360 nan 0.000 0.466 151 E N 0.561 120.746 120.200 -0.026 0.000 2.112 151 E HA -0.120 4.230 4.350 -0.001 0.000 0.190 151 E C 1.985 178.584 176.600 -0.001 0.000 0.979 151 E CA 0.489 56.877 56.400 -0.021 0.000 0.814 151 E CB 0.114 29.915 29.700 0.168 0.000 0.762 151 E HN 0.207 nan 8.360 nan 0.000 0.460 152 I N 1.017 121.453 120.570 -0.224 0.000 2.252 152 I HA -0.238 3.932 4.170 -0.001 0.000 0.245 152 I C 2.183 178.194 176.117 -0.177 0.000 1.102 152 I CA 1.224 62.336 61.300 -0.314 0.000 1.385 152 I CB -0.293 37.233 38.000 -0.790 0.000 1.064 152 I HN 0.169 nan 8.210 nan 0.000 0.414 153 E N 0.419 120.503 120.200 -0.194 0.000 2.153 153 E HA -0.253 4.097 4.350 -0.001 0.000 0.194 153 E C 2.026 178.648 176.600 0.038 0.000 0.988 153 E CA 1.297 57.676 56.400 -0.035 0.000 0.811 153 E CB -0.145 29.561 29.700 0.011 0.000 0.746 153 E HN 0.420 nan 8.360 nan 0.000 0.466 154 F N 1.019 120.906 119.950 -0.105 0.000 2.075 154 F HA -0.224 4.303 4.527 -0.001 0.000 0.297 154 F C 2.115 177.872 175.800 -0.071 0.000 1.113 154 F CA 1.168 59.106 58.000 -0.102 0.000 1.218 154 F CB -0.358 38.557 39.000 -0.140 0.000 0.984 154 F HN -0.216 nan 8.300 nan 0.000 0.472 155 V N 0.845 120.822 119.914 0.105 0.000 2.287 155 V HA -0.342 3.778 4.120 -0.001 0.000 0.248 155 V C 2.345 178.460 176.094 0.034 0.000 1.053 155 V CA 2.407 64.756 62.300 0.083 0.000 1.027 155 V CB -0.931 31.023 31.823 0.218 0.000 0.646 155 V HN 0.436 nan 8.190 nan 0.000 0.447 156 Q N -0.036 119.794 119.800 0.050 0.000 2.119 156 Q HA -0.109 4.230 4.340 -0.001 0.000 0.201 156 Q C 2.398 178.408 176.000 0.017 0.000 0.972 156 Q CA 1.548 57.387 55.803 0.059 0.000 0.847 156 Q CB -0.520 28.267 28.738 0.082 0.000 0.903 156 Q HN 0.722 nan 8.270 nan 0.000 0.433 157 G N 1.123 109.895 108.800 -0.048 0.000 2.418 157 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.217 157 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.217 157 G C 1.357 176.195 174.900 -0.103 0.000 1.158 157 G CA 0.367 45.430 45.100 -0.061 0.000 0.771 157 G HN 0.155 nan 8.290 nan 0.000 0.545 158 L N 1.181 122.226 121.223 -0.296 0.000 2.093 158 L HA 0.072 4.411 4.340 -0.001 0.000 0.208 158 L C 2.306 179.094 176.870 -0.137 0.000 1.085 158 L CA 1.147 55.728 54.840 -0.431 0.000 0.755 158 L CB -0.871 40.583 42.059 -1.009 0.000 0.904 158 L HN 0.107 nan 8.230 nan 0.000 0.435 159 N N -1.203 117.514 118.700 0.029 0.000 2.166 159 N HA -0.227 4.512 4.740 -0.001 0.000 0.186 159 N C 1.867 177.412 175.510 0.059 0.000 1.019 159 N CA 1.346 54.467 53.050 0.119 0.000 0.856 159 N CB -0.260 38.294 38.487 0.112 0.000 0.993 159 N HN 0.549 nan 8.380 nan 0.000 0.426 160 H N 0.461 119.513 119.070 -0.029 0.000 2.333 160 H HA 0.019 4.574 4.556 -0.001 0.000 0.302 160 H C 2.049 177.352 175.328 -0.042 0.000 1.075 160 H CA 2.244 58.271 56.048 -0.034 0.000 1.348 160 H CB -0.254 29.483 29.762 -0.041 0.000 1.393 160 H HN 0.188 nan 8.280 nan 0.000 0.509 161 S N -1.123 114.468 115.700 -0.183 0.000 2.453 161 S HA -0.114 4.356 4.470 -0.001 0.000 0.231 161 S C 2.011 176.507 174.600 -0.173 0.000 1.005 161 S CA 1.206 59.272 58.200 -0.224 0.000 0.949 161 S CB -0.585 62.551 63.200 -0.106 0.000 0.774 161 S HN 0.693 nan 8.310 nan 0.000 0.510 162 T N -3.927 110.561 114.554 -0.111 0.000 2.990 162 T HA 0.532 4.882 4.350 -0.001 0.000 0.249 162 T C 1.711 176.389 174.700 -0.036 0.000 1.039 162 T CA 0.834 62.907 62.100 -0.044 0.000 1.036 162 T CB -0.054 68.848 68.868 0.057 0.000 0.994 162 T HN 1.160 nan 8.240 nan 0.000 0.489 163 G N 1.672 110.442 108.800 -0.050 0.000 2.217 163 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.246 163 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.246 163 G C 0.172 175.068 174.900 -0.007 0.000 0.990 163 G CA 0.283 45.358 45.100 -0.041 0.000 0.627 163 G HN 0.701 nan 8.290 nan 0.000 0.522 164 K N -0.038 120.378 120.400 0.027 0.000 2.273 164 K HA 0.464 4.784 4.320 -0.001 0.000 0.240 164 K C 0.351 176.951 176.600 0.001 0.000 1.056 164 K CA -0.075 56.214 56.287 0.003 0.000 0.910 164 K CB 0.379 32.871 32.500 -0.012 0.000 1.196 164 K HN 0.173 nan 8.250 nan 0.000 0.509 165 N N 1.081 119.746 118.700 -0.059 0.000 2.725 165 N HA 0.129 4.868 4.740 -0.001 0.000 0.248 165 N C -1.396 174.024 175.510 -0.149 0.000 1.402 165 N CA -0.227 52.787 53.050 -0.060 0.000 0.766 165 N CB 0.445 38.902 38.487 -0.050 0.000 1.223 165 N HN 0.267 nan 8.380 nan 0.000 0.515 166 I N 1.628 122.089 120.570 -0.182 0.000 2.395 166 I HA 0.356 4.525 4.170 -0.001 0.000 0.289 166 I C 1.498 177.491 176.117 -0.206 0.000 1.023 166 I CA -0.357 60.761 61.300 -0.304 0.000 1.350 166 I CB 0.660 38.357 38.000 -0.505 0.000 1.409 166 I HN 0.295 nan 8.210 nan 0.000 0.507 167 G N 6.051 114.572 108.800 -0.465 0.000 2.535 167 G HA2 0.720 4.680 3.960 -0.001 0.000 0.303 167 G HA3 0.720 4.680 3.960 -0.001 0.000 0.303 167 G C -0.320 174.611 174.900 0.052 0.000 1.237 167 G CA -0.627 44.295 45.100 -0.297 0.000 0.986 167 G HN 0.665 nan 8.290 nan 0.000 0.494 168 I N -3.173 117.513 120.570 0.194 0.000 2.648 168 I HA 0.610 4.780 4.170 -0.001 0.000 0.304 168 I C -1.414 174.951 176.117 0.414 0.000 1.009 168 I CA -1.241 60.211 61.300 0.252 0.000 1.114 168 I CB 2.577 40.596 38.000 0.033 0.000 1.293 168 I HN 0.495 nan 8.210 nan 0.000 0.449 169 Y N 5.200 125.685 120.300 0.308 0.000 2.584 169 Y HA 0.425 4.975 4.550 -0.001 0.000 0.358 169 Y C -2.499 173.526 175.900 0.209 0.000 1.028 169 Y CA -2.487 55.787 58.100 0.290 0.000 1.148 169 Y CB 1.369 40.010 38.460 0.302 0.000 1.126 169 Y HN 0.443 nan 8.280 nan 0.000 0.658 170 P HA 0.012 nan 4.420 nan 0.000 0.271 170 P C -0.794 176.571 177.300 0.109 0.000 1.220 170 P CA 0.234 63.408 63.100 0.122 0.000 0.768 170 P CB 1.542 33.245 31.700 0.004 0.000 0.848 171 E N 3.506 123.710 120.200 0.005 0.000 2.176 171 E HA 0.350 4.700 4.350 -0.001 0.000 0.267 171 E C -0.562 175.985 176.600 -0.088 0.000 0.893 171 E CA -0.888 55.507 56.400 -0.008 0.000 0.761 171 E CB 0.964 30.649 29.700 -0.025 0.000 1.133 171 E HN 0.402 nan 8.360 nan 0.000 0.409 172 I N 5.297 125.830 120.570 -0.063 0.000 2.322 172 I HA 0.133 4.302 4.170 -0.001 0.000 0.292 172 I C 0.212 176.297 176.117 -0.054 0.000 1.060 172 I CA -0.511 60.724 61.300 -0.110 0.000 1.309 172 I CB 0.421 38.370 38.000 -0.085 0.000 1.415 172 I HN 0.208 nan 8.210 nan 0.000 0.492 173 K N 5.281 125.627 120.400 -0.090 0.000 2.218 173 K HA 0.352 4.672 4.320 -0.001 0.000 0.276 173 K C 0.450 177.007 176.600 -0.071 0.000 1.022 173 K CA -0.373 55.906 56.287 -0.014 0.000 0.946 173 K CB 1.198 33.697 32.500 -0.003 0.000 1.000 173 K HN 0.756 nan 8.250 nan 0.000 0.468 174 A N 4.280 127.049 122.820 -0.085 0.000 2.049 174 A HA -0.131 4.189 4.320 -0.001 0.000 0.263 174 A C -1.057 176.251 177.584 -0.460 0.000 1.316 174 A CA 0.210 51.930 52.037 -0.527 0.000 0.759 174 A CB -1.165 17.215 19.000 -1.033 0.000 1.141 174 A HN 0.549 nan 8.150 nan 0.000 0.325 175 P HA -0.161 nan 4.420 nan 0.000 0.223 175 P C 1.700 179.014 177.300 0.023 0.000 1.151 175 P CA 1.543 64.587 63.100 -0.095 0.000 0.787 175 P CB -0.320 31.403 31.700 0.039 0.000 0.788 176 W N -0.608 120.834 121.300 0.237 0.000 2.381 176 W HA -0.117 4.543 4.660 -0.000 0.000 0.301 176 W C 1.877 178.346 176.519 -0.083 0.000 1.205 176 W CA 0.060 57.530 57.345 0.207 0.000 1.285 176 W CB -2.059 27.520 29.460 0.199 0.000 1.133 176 W HN -0.155 nan 8.180 nan 0.000 0.521 177 F N 2.659 122.003 119.950 -1.010 0.000 2.102 177 F HA -0.169 4.358 4.527 -0.001 0.000 0.298 177 F C 2.491 177.961 175.800 -0.551 0.000 1.105 177 F CA 2.278 59.714 58.000 -0.940 0.000 1.239 177 F CB -0.976 37.099 39.000 -1.541 0.000 0.991 177 F HN -0.221 nan 8.300 nan 0.000 0.474 178 H N -1.245 117.463 119.070 -0.603 0.000 2.353 178 H HA -0.138 4.418 4.556 -0.001 0.000 0.300 178 H C 2.284 177.366 175.328 -0.409 0.000 1.090 178 H CA 2.075 57.797 56.048 -0.543 0.000 1.327 178 H CB -0.544 28.988 29.762 -0.383 0.000 1.383 178 H HN 0.312 nan 8.280 nan 0.000 0.508 179 H N 0.671 119.694 119.070 -0.079 0.000 2.353 179 H HA -0.093 4.463 4.556 -0.001 0.000 0.300 179 H C 1.986 177.291 175.328 -0.038 0.000 1.090 179 H CA 1.446 57.509 56.048 0.025 0.000 1.327 179 H CB -0.026 29.873 29.762 0.228 0.000 1.383 179 H HN 0.548 nan 8.280 nan 0.000 0.508 180 Q N 0.229 119.985 119.800 -0.074 0.000 2.170 180 Q HA -0.103 4.237 4.340 -0.001 0.000 0.203 180 Q C 1.519 177.364 176.000 -0.257 0.000 0.976 180 Q CA 0.804 56.503 55.803 -0.174 0.000 0.858 180 Q CB 0.218 28.723 28.738 -0.389 0.000 0.907 180 Q HN 0.393 nan 8.270 nan 0.000 0.433 181 E N -0.516 119.412 120.200 -0.453 0.000 2.489 181 E HA 0.048 4.398 4.350 -0.001 0.000 0.193 181 E C 0.602 177.059 176.600 -0.239 0.000 1.057 181 E CA 0.527 56.655 56.400 -0.453 0.000 0.866 181 E CB 0.610 29.849 29.700 -0.768 0.000 0.916 181 E HN 0.469 nan 8.360 nan 0.000 0.500 182 G N 1.931 110.653 108.800 -0.131 0.000 2.212 182 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.255 182 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.255 182 G C -0.099 174.775 174.900 -0.043 0.000 1.062 182 G CA 0.340 45.411 45.100 -0.048 0.000 0.815 182 G HN 0.181 nan 8.290 nan 0.000 0.497 183 K N -0.312 120.052 120.400 -0.061 0.000 2.498 183 K HA 0.418 4.738 4.320 -0.001 0.000 0.254 183 K C -1.648 174.883 176.600 -0.114 0.000 0.933 183 K CA -1.071 55.182 56.287 -0.057 0.000 0.806 183 K CB 1.992 34.464 32.500 -0.047 0.000 1.301 183 K HN 0.010 nan 8.250 nan 0.000 0.432 184 D N 3.642 123.992 120.400 -0.084 0.000 2.499 184 D HA 0.134 4.774 4.640 -0.001 0.000 0.225 184 D C 0.558 176.772 176.300 -0.143 0.000 1.124 184 D CA -0.272 53.652 54.000 -0.127 0.000 0.938 184 D CB 0.544 41.353 40.800 0.014 0.000 1.014 184 D HN 0.603 nan 8.370 nan 0.000 0.517 185 I N 2.597 123.012 120.570 -0.259 0.000 2.252 185 I HA -0.201 3.969 4.170 -0.001 0.000 0.245 185 I C 1.819 177.832 176.117 -0.173 0.000 1.102 185 I CA 1.062 62.197 61.300 -0.275 0.000 1.385 185 I CB 0.302 37.946 38.000 -0.593 0.000 1.064 185 I HN 0.337 nan 8.210 nan 0.000 0.414 186 A N 0.818 123.555 122.820 -0.137 0.000 1.972 186 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 186 A C 2.435 180.019 177.584 -0.001 0.000 1.169 186 A CA 1.707 53.717 52.037 -0.045 0.000 0.635 186 A CB -0.885 18.124 19.000 0.015 0.000 0.810 186 A HN 0.596 nan 8.150 nan 0.000 0.446 187 A N -0.151 122.669 122.820 0.001 0.000 1.872 187 A HA -0.078 4.242 4.320 -0.001 0.000 0.214 187 A C 2.071 179.675 177.584 0.034 0.000 1.187 187 A CA 2.177 54.232 52.037 0.029 0.000 0.614 187 A CB -0.417 18.602 19.000 0.033 0.000 0.826 187 A HN 0.411 nan 8.150 nan 0.000 0.442 188 K N -0.121 120.287 120.400 0.013 0.000 2.032 188 K HA -0.109 4.211 4.320 -0.001 0.000 0.209 188 K C 1.970 178.618 176.600 0.079 0.000 1.048 188 K CA 2.436 58.745 56.287 0.037 0.000 0.927 188 K CB -1.108 31.398 32.500 0.010 0.000 0.712 188 K HN 0.407 nan 8.250 nan 0.000 0.441 189 T N 1.317 115.898 114.554 0.046 0.000 2.720 189 T HA -0.128 4.222 4.350 -0.001 0.000 0.268 189 T C 1.712 176.512 174.700 0.166 0.000 1.037 189 T CA 1.667 63.821 62.100 0.091 0.000 1.144 189 T CB -0.215 68.635 68.868 -0.031 0.000 0.864 189 T HN 0.142 nan 8.240 nan 0.000 0.444 190 L N 0.374 121.665 121.223 0.113 0.000 2.217 190 L HA -0.020 4.319 4.340 -0.001 0.000 0.211 190 L C 2.676 179.627 176.870 0.135 0.000 1.107 190 L CA 1.136 56.051 54.840 0.124 0.000 0.783 190 L CB -0.469 41.644 42.059 0.091 0.000 0.919 190 L HN 0.323 nan 8.230 nan 0.000 0.442 191 E N -0.360 119.913 120.200 0.121 0.000 2.072 191 E HA -0.167 4.183 4.350 -0.001 0.000 0.191 191 E C 2.288 178.977 176.600 0.149 0.000 0.985 191 E CA 1.124 57.591 56.400 0.111 0.000 0.801 191 E CB 0.012 29.765 29.700 0.088 0.000 0.750 191 E HN 0.244 nan 8.360 nan 0.000 0.452 192 V N 1.595 121.630 119.914 0.202 0.000 2.270 192 V HA -0.257 3.862 4.120 -0.001 0.000 0.245 192 V C 2.360 178.630 176.094 0.293 0.000 1.043 192 V CA 1.451 63.906 62.300 0.258 0.000 1.014 192 V CB -0.465 31.542 31.823 0.306 0.000 0.645 192 V HN 0.266 nan 8.190 nan 0.000 0.447 193 L N -0.040 121.354 121.223 0.286 0.000 2.043 193 L HA -0.273 4.067 4.340 -0.001 0.000 0.212 193 L C 2.610 179.674 176.870 0.324 0.000 1.075 193 L CA 2.261 57.292 54.840 0.318 0.000 0.752 193 L CB -0.626 41.597 42.059 0.274 0.000 0.891 193 L HN 0.348 nan 8.230 nan 0.000 0.432 194 K N 0.583 121.109 120.400 0.209 0.000 2.097 194 K HA -0.230 4.090 4.320 -0.001 0.000 0.205 194 K C 2.242 178.892 176.600 0.083 0.000 1.050 194 K CA 1.341 57.707 56.287 0.133 0.000 0.938 194 K CB -0.001 32.553 32.500 0.091 0.000 0.718 194 K HN 0.097 nan 8.250 nan 0.000 0.442 195 K N -0.312 120.138 120.400 0.082 0.000 2.097 195 K HA -0.162 4.158 4.320 -0.001 0.000 0.206 195 K C 0.693 177.179 176.600 -0.190 0.000 1.049 195 K CA 1.372 57.618 56.287 -0.068 0.000 0.933 195 K CB -0.006 32.439 32.500 -0.091 0.000 0.717 195 K HN 0.236 nan 8.250 nan 0.000 0.442 196 Y N -0.294 120.027 120.300 0.036 0.000 2.583 196 Y HA 0.197 4.747 4.550 -0.001 0.000 0.294 196 Y C 1.133 176.941 175.900 -0.153 0.000 1.170 196 Y CA 0.332 58.433 58.100 0.003 0.000 1.265 196 Y CB 0.889 39.407 38.460 0.098 0.000 1.119 196 Y HN 0.349 nan 8.280 nan 0.000 0.522 197 G N -0.931 107.839 108.800 -0.050 0.000 2.176 197 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.253 197 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.253 197 G C -0.295 174.446 174.900 -0.265 0.000 0.979 197 G CA -0.373 44.609 45.100 -0.196 0.000 0.641 197 G HN 0.362 nan 8.290 nan 0.000 0.530 198 Y N 1.892 122.233 120.300 0.068 0.000 2.650 198 Y HA 0.464 5.014 4.550 -0.000 0.000 0.343 198 Y C 1.720 177.650 175.900 0.049 0.000 1.078 198 Y CA 0.403 58.536 58.100 0.056 0.000 1.356 198 Y CB 0.882 39.388 38.460 0.077 0.000 1.204 198 Y HN 0.262 nan 8.280 nan 0.000 0.508 199 T N -2.111 112.512 114.554 0.116 0.000 2.954 199 T HA 0.403 4.753 4.350 -0.001 0.000 0.252 199 T C 0.828 175.565 174.700 0.062 0.000 0.983 199 T CA 0.279 62.429 62.100 0.083 0.000 0.941 199 T CB 0.267 69.162 68.868 0.045 0.000 1.141 199 T HN 0.552 nan 8.240 nan 0.000 0.500 200 G N 0.408 109.238 108.800 0.050 0.000 2.788 200 G HA2 0.526 4.486 3.960 -0.001 0.000 0.293 200 G HA3 0.526 4.486 3.960 -0.001 0.000 0.293 200 G C 0.088 174.997 174.900 0.016 0.000 1.305 200 G CA -0.842 44.276 45.100 0.029 0.000 1.005 200 G HN 0.090 nan 8.290 nan 0.000 0.496 201 K N -0.189 120.210 120.400 -0.001 0.000 2.366 201 K HA -0.034 4.285 4.320 -0.001 0.000 0.198 201 K C 1.498 178.078 176.600 -0.034 0.000 1.044 201 K CA 1.171 57.440 56.287 -0.030 0.000 0.973 201 K CB 0.233 32.724 32.500 -0.017 0.000 0.767 201 K HN 0.640 nan 8.250 nan 0.000 0.475 202 D N 0.649 121.042 120.400 -0.010 0.000 2.323 202 D HA -0.073 4.566 4.640 -0.001 0.000 0.209 202 D C 0.140 176.441 176.300 0.001 0.000 0.973 202 D CA 0.376 54.373 54.000 -0.005 0.000 0.874 202 D CB -0.100 40.699 40.800 -0.001 0.000 0.930 202 D HN -0.053 nan 8.370 nan 0.000 0.521 203 D N 1.192 121.599 120.400 0.012 0.000 2.372 203 D HA 0.060 4.700 4.640 -0.001 0.000 0.243 203 D C 0.159 176.512 176.300 0.088 0.000 1.121 203 D CA -0.173 53.858 54.000 0.051 0.000 0.898 203 D CB 1.076 41.931 40.800 0.092 0.000 1.202 203 D HN -0.149 nan 8.370 nan 0.000 0.428 204 K N 0.821 121.309 120.400 0.145 0.000 2.686 204 K HA 0.225 4.545 4.320 -0.001 0.000 0.244 204 K C -0.892 175.882 176.600 0.291 0.000 1.262 204 K CA -0.077 56.304 56.287 0.158 0.000 1.199 204 K CB -0.422 32.098 32.500 0.032 0.000 1.428 204 K HN 0.141 nan 8.250 nan 0.000 0.247 205 V N 1.319 121.335 119.914 0.169 0.000 2.969 205 V HA 0.462 4.582 4.120 -0.001 0.000 0.304 205 V C -2.040 173.867 176.094 -0.312 0.000 1.192 205 V CA -0.885 61.445 62.300 0.051 0.000 0.962 205 V CB 1.452 33.269 31.823 -0.010 0.000 1.045 205 V HN 0.319 nan 8.190 nan 0.000 0.428 206 Y N 5.378 125.477 120.300 -0.334 0.000 2.361 206 Y HA 0.706 5.256 4.550 -0.001 0.000 0.337 206 Y C -0.376 175.309 175.900 -0.357 0.000 0.965 206 Y CA -0.652 57.117 58.100 -0.553 0.000 1.091 206 Y CB 2.129 39.748 38.460 -1.402 0.000 1.182 206 Y HN 0.631 nan 8.280 nan 0.000 0.450 207 L N 5.837 127.072 121.223 0.021 0.000 2.265 207 L HA 0.464 4.803 4.340 -0.001 0.000 0.289 207 L C -0.404 176.558 176.870 0.154 0.000 1.033 207 L CA -0.326 54.569 54.840 0.091 0.000 0.814 207 L CB 0.704 42.809 42.059 0.077 0.000 1.203 207 L HN 0.736 nan 8.230 nan 0.000 0.423 208 Q N 4.135 124.065 119.800 0.217 0.000 2.241 208 Q HA 0.773 5.112 4.340 -0.001 0.000 0.262 208 Q C -1.148 174.897 176.000 0.075 0.000 1.014 208 Q CA -0.895 55.021 55.803 0.189 0.000 0.885 208 Q CB 2.210 31.120 28.738 0.287 0.000 1.311 208 Q HN 0.662 nan 8.270 nan 0.000 0.461 209 C N 0.738 120.047 119.300 0.015 0.000 3.274 209 C HA 0.295 4.755 4.460 -0.001 0.000 0.415 209 C C -0.215 174.800 174.990 0.041 0.000 1.009 209 C CA -0.583 58.459 59.018 0.040 0.000 1.163 209 C CB 0.426 28.229 27.740 0.106 0.000 1.549 209 C HN 0.999 nan 8.230 nan 0.000 0.599 210 F N 1.275 121.311 119.950 0.143 0.000 2.407 210 F HA 0.109 4.635 4.527 -0.001 0.000 0.299 210 F C 1.587 177.529 175.800 0.237 0.000 1.097 210 F CA 1.221 59.336 58.000 0.191 0.000 1.422 210 F CB 0.034 39.168 39.000 0.224 0.000 1.067 210 F HN 0.598 nan 8.300 nan 0.000 0.539 211 D N 0.395 121.013 120.400 0.364 0.000 2.435 211 D HA 0.219 4.859 4.640 -0.001 0.000 0.230 211 D C 1.292 177.656 176.300 0.107 0.000 1.215 211 D CA 0.283 54.420 54.000 0.228 0.000 0.947 211 D CB 0.905 41.888 40.800 0.305 0.000 1.048 211 D HN 0.168 nan 8.370 nan 0.000 0.512 212 A N 4.089 126.902 122.820 -0.013 0.000 1.917 212 A HA -0.222 4.097 4.320 -0.001 0.000 0.219 212 A C 1.785 179.272 177.584 -0.161 0.000 1.182 212 A CA 1.424 53.440 52.037 -0.036 0.000 0.633 212 A CB -0.087 18.891 19.000 -0.037 0.000 0.819 212 A HN 0.559 nan 8.150 nan 0.000 0.448 213 D N -1.148 119.194 120.400 -0.097 0.000 2.149 213 D HA -0.105 4.535 4.640 -0.001 0.000 0.201 213 D C 1.894 178.191 176.300 -0.005 0.000 0.972 213 D CA 1.473 55.434 54.000 -0.065 0.000 0.835 213 D CB -0.154 40.645 40.800 -0.002 0.000 0.966 213 D HN 0.527 nan 8.370 nan 0.000 0.476 214 E N 0.876 121.121 120.200 0.075 0.000 2.150 214 E HA -0.050 4.300 4.350 -0.001 0.000 0.193 214 E C 2.270 178.925 176.600 0.091 0.000 0.985 214 E CA 0.375 56.849 56.400 0.125 0.000 0.814 214 E CB -0.207 29.604 29.700 0.186 0.000 0.752 214 E HN 0.229 nan 8.360 nan 0.000 0.466 215 L N 0.019 121.289 121.223 0.079 0.000 2.027 215 L HA -0.156 4.184 4.340 -0.001 0.000 0.206 215 L C 2.417 179.334 176.870 0.078 0.000 1.074 215 L CA 1.323 56.237 54.840 0.124 0.000 0.745 215 L CB -0.304 41.900 42.059 0.242 0.000 0.898 215 L HN 0.073 nan 8.230 nan 0.000 0.433 216 K N -0.258 120.087 120.400 -0.091 0.000 2.032 216 K HA -0.255 4.065 4.320 -0.001 0.000 0.209 216 K C 2.254 178.853 176.600 -0.002 0.000 1.048 216 K CA 1.622 57.841 56.287 -0.113 0.000 0.927 216 K CB -0.173 32.175 32.500 -0.252 0.000 0.712 216 K HN 0.151 nan 8.250 nan 0.000 0.441 217 R N 1.054 121.559 120.500 0.009 0.000 2.073 217 R HA -0.122 4.217 4.340 -0.001 0.000 0.234 217 R C 2.184 178.520 176.300 0.060 0.000 1.134 217 R CA 1.487 57.610 56.100 0.037 0.000 0.952 217 R CB -0.281 30.051 30.300 0.054 0.000 0.850 217 R HN 0.132 nan 8.270 nan 0.000 0.433 218 I N 1.064 121.679 120.570 0.076 0.000 2.208 218 I HA -0.315 3.855 4.170 -0.001 0.000 0.245 218 I C 2.664 178.829 176.117 0.080 0.000 1.097 218 I CA 1.607 62.956 61.300 0.082 0.000 1.363 218 I CB -0.270 37.784 38.000 0.090 0.000 1.051 218 I HN 0.270 nan 8.210 nan 0.000 0.413 219 K N 1.040 121.495 120.400 0.092 0.000 2.057 219 K HA -0.136 4.184 4.320 -0.001 0.000 0.206 219 K C 1.508 178.153 176.600 0.075 0.000 1.050 219 K CA 1.905 58.248 56.287 0.095 0.000 0.935 219 K CB -0.016 32.564 32.500 0.132 0.000 0.715 219 K HN 0.390 nan 8.250 nan 0.000 0.439 220 N N -0.677 118.062 118.700 0.064 0.000 2.322 220 N HA 0.009 4.749 4.740 -0.001 0.000 0.181 220 N C 0.945 176.479 175.510 0.040 0.000 1.088 220 N CA 0.199 53.279 53.050 0.050 0.000 0.885 220 N CB 0.618 39.131 38.487 0.044 0.000 1.013 220 N HN 0.200 nan 8.380 nan 0.000 0.472 221 E N -0.107 120.118 120.200 0.042 0.000 2.306 221 E HA 0.199 4.549 4.350 -0.001 0.000 0.201 221 E C 1.379 178.005 176.600 0.044 0.000 0.874 221 E CA 0.151 56.574 56.400 0.038 0.000 0.972 221 E CB 0.540 30.262 29.700 0.036 0.000 0.957 221 E HN 0.145 nan 8.360 nan 0.000 0.492 222 L N 0.703 121.958 121.223 0.053 0.000 2.185 222 L HA 0.062 4.402 4.340 -0.001 0.000 0.198 222 L C 2.171 179.073 176.870 0.053 0.000 1.079 222 L CA 0.652 55.524 54.840 0.055 0.000 0.780 222 L CB -0.380 41.716 42.059 0.063 0.000 0.955 222 L HN 0.018 nan 8.230 nan 0.000 0.462 223 E N 0.671 120.905 120.200 0.057 0.000 2.097 223 E HA -0.215 4.135 4.350 -0.001 0.000 0.196 223 E C -0.417 176.211 176.600 0.047 0.000 1.000 223 E CA 1.334 57.768 56.400 0.056 0.000 0.804 223 E CB -1.235 28.502 29.700 0.061 0.000 0.740 223 E HN 0.422 nan 8.360 nan 0.000 0.454 224 P HA -0.222 nan 4.420 nan 0.000 0.213 224 P C 0.547 177.866 177.300 0.032 0.000 1.176 224 P CA 1.571 64.693 63.100 0.036 0.000 0.919 224 P CB -0.127 31.594 31.700 0.035 0.000 0.791 230 L N 0.965 122.215 121.223 0.046 0.000 2.431 230 L HA 0.502 4.841 4.340 -0.001 0.000 0.260 230 L C 0.652 177.532 176.870 0.017 0.000 1.098 230 L CA -1.152 53.706 54.840 0.029 0.000 0.800 230 L CB 0.610 42.697 42.059 0.047 0.000 1.210 230 L HN 0.318 nan 8.230 nan 0.000 0.465 231 N N 2.177 120.859 118.700 -0.030 0.000 2.411 231 N HA 0.294 5.033 4.740 -0.001 0.000 0.259 231 N C -0.811 174.743 175.510 0.073 0.000 1.103 231 N CA 0.005 53.056 53.050 -0.000 0.000 0.954 231 N CB 0.747 39.175 38.487 -0.097 0.000 1.085 231 N HN 0.342 nan 8.380 nan 0.000 0.485 232 L N 2.160 123.438 121.223 0.092 0.000 2.292 232 L HA 0.460 4.799 4.340 -0.001 0.000 0.284 232 L C -0.070 176.867 176.870 0.113 0.000 1.065 232 L CA -0.877 54.031 54.840 0.114 0.000 0.806 232 L CB 1.180 43.315 42.059 0.126 0.000 1.175 232 L HN 0.027 nan 8.230 nan 0.000 0.431 233 V N 2.563 122.561 119.914 0.139 0.000 2.444 233 V HA 0.222 4.341 4.120 -0.001 0.000 0.294 233 V C -0.136 176.015 176.094 0.095 0.000 1.022 233 V CA -0.676 61.696 62.300 0.120 0.000 0.850 233 V CB 1.661 33.619 31.823 0.225 0.000 0.992 233 V HN 0.727 nan 8.190 nan 0.000 0.426 234 Q N 4.654 124.485 119.800 0.052 0.000 2.337 234 Q HA 0.472 4.812 4.340 -0.001 0.000 0.255 234 Q C -0.960 175.028 176.000 -0.020 0.000 0.997 234 Q CA 0.130 55.974 55.803 0.069 0.000 0.925 234 Q CB 0.841 29.638 28.738 0.099 0.000 1.212 234 Q HN 0.715 nan 8.270 nan 0.000 0.436 235 L N 5.132 126.273 121.223 -0.137 0.000 2.371 235 L HA 0.411 4.751 4.340 -0.001 0.000 0.272 235 L C -0.109 176.666 176.870 -0.159 0.000 1.124 235 L CA -0.435 54.177 54.840 -0.381 0.000 0.816 235 L CB 0.735 42.022 42.059 -1.287 0.000 1.129 235 L HN 0.650 nan 8.230 nan 0.000 0.448 236 I N 2.719 123.259 120.570 -0.050 0.000 2.382 236 I HA 0.482 4.652 4.170 -0.001 0.000 0.286 236 I C 0.065 176.107 176.117 -0.124 0.000 1.002 236 I CA -0.285 60.934 61.300 -0.135 0.000 1.135 236 I CB 1.736 39.579 38.000 -0.262 0.000 1.288 236 I HN 0.633 nan 8.210 nan 0.000 0.448 237 A N 5.680 128.160 122.820 -0.567 0.000 2.311 237 A HA 0.710 5.030 4.320 -0.001 0.000 0.334 237 A C -1.197 175.858 177.584 -0.881 0.000 1.139 237 A CA -0.370 51.275 52.037 -0.655 0.000 0.830 237 A CB 0.603 19.273 19.000 -0.550 0.000 1.234 237 A HN 0.540 nan 8.150 nan 0.000 0.483 238 Y N 0.666 120.248 120.300 -1.196 0.000 2.359 238 Y HA 0.172 4.722 4.550 -0.001 0.000 0.330 238 Y C 2.040 177.671 175.900 -0.449 0.000 1.143 238 Y CA 0.786 58.398 58.100 -0.814 0.000 1.318 238 Y CB 0.810 38.598 38.460 -1.121 0.000 1.234 238 Y HN 0.823 nan 8.280 nan 0.000 0.522 239 T N 1.021 115.617 114.554 0.070 0.000 2.685 239 T HA -0.246 4.104 4.350 -0.001 0.000 0.268 239 T C 1.441 176.227 174.700 0.143 0.000 1.034 239 T CA 1.943 64.157 62.100 0.190 0.000 1.149 239 T CB -0.282 68.656 68.868 0.117 0.000 0.860 239 T HN 0.842 nan 8.240 nan 0.000 0.449 240 D N -0.461 119.988 120.400 0.082 0.000 2.384 240 D HA -0.148 4.492 4.640 -0.001 0.000 0.222 240 D C 1.200 177.673 176.300 0.288 0.000 0.976 240 D CA 0.541 54.624 54.000 0.138 0.000 0.915 240 D CB -0.310 40.548 40.800 0.097 0.000 0.896 240 D HN 0.470 nan 8.370 nan 0.000 0.523 241 W N 1.550 122.901 121.300 0.085 0.000 2.800 241 W HA 0.159 4.818 4.660 -0.001 0.000 0.249 241 W C 0.681 177.228 176.519 0.047 0.000 1.294 241 W CA -0.451 56.922 57.345 0.047 0.000 1.402 241 W CB -1.227 28.244 29.460 0.018 0.000 1.126 241 W HN 0.114 nan 8.180 nan 0.000 0.652 242 N N 0.891 119.760 118.700 0.282 0.000 2.710 242 N HA -0.281 4.458 4.740 -0.001 0.000 0.249 242 N C 0.876 176.503 175.510 0.195 0.000 1.059 242 N CA 0.770 53.929 53.050 0.182 0.000 0.720 242 N CB -0.714 37.848 38.487 0.126 0.000 0.983 242 N HN 0.164 nan 8.380 nan 0.000 0.544 243 E N 0.318 120.659 120.200 0.235 0.000 2.204 243 E HA -0.007 4.342 4.350 -0.001 0.000 0.194 243 E C -0.050 176.756 176.600 0.343 0.000 0.989 243 E CA 1.318 57.830 56.400 0.187 0.000 0.824 243 E CB 0.382 29.992 29.700 -0.151 0.000 0.756 243 E HN 0.340 nan 8.360 nan 0.000 0.477 244 T N 0.321 115.012 114.554 0.228 0.000 2.912 244 T HA 0.432 4.782 4.350 -0.001 0.000 0.299 244 T C -1.029 173.426 174.700 -0.407 0.000 1.052 244 T CA -0.778 61.330 62.100 0.013 0.000 0.996 244 T CB 1.852 70.882 68.868 0.269 0.000 1.070 244 T HN -0.063 nan 8.240 nan 0.000 0.465 245 Q N 1.617 120.782 119.800 -1.059 0.000 2.333 245 Q HA 0.456 4.795 4.340 -0.001 0.000 0.267 245 Q C -0.888 175.160 176.000 0.080 0.000 1.012 245 Q CA -0.664 54.815 55.803 -0.540 0.000 0.824 245 Q CB 2.644 30.852 28.738 -0.883 0.000 1.290 245 Q HN 0.518 nan 8.270 nan 0.000 0.449 246 Q N 2.689 122.620 119.800 0.218 0.000 2.333 246 Q HA 0.252 4.592 4.340 -0.001 0.000 0.265 246 Q C -1.142 174.853 176.000 -0.009 0.000 0.989 246 Q CA -0.559 55.366 55.803 0.203 0.000 0.842 246 Q CB 1.332 30.191 28.738 0.201 0.000 1.262 246 Q HN 0.392 nan 8.270 nan 0.000 0.451 247 K N 3.164 123.315 120.400 -0.416 0.000 2.416 247 K HA 0.033 4.352 4.320 -0.001 0.000 0.283 247 K C -0.458 175.853 176.600 -0.481 0.000 1.037 247 K CA -0.143 55.540 56.287 -1.007 0.000 0.995 247 K CB 0.632 32.281 32.500 -1.417 0.000 0.938 247 K HN 0.529 nan 8.250 nan 0.000 0.475 248 Q N 3.697 123.256 119.800 -0.400 0.000 2.260 248 Q HA 0.152 4.491 4.340 -0.001 0.000 0.238 248 Q C -1.779 174.090 176.000 -0.217 0.000 0.948 248 Q CA -2.394 53.272 55.803 -0.229 0.000 0.895 248 Q CB 0.666 29.311 28.738 -0.155 0.000 1.218 248 Q HN 0.462 nan 8.270 nan 0.000 0.470 249 P HA -0.163 nan 4.420 nan 0.000 0.218 249 P C 0.077 177.309 177.300 -0.113 0.000 1.146 249 P CA 1.368 64.394 63.100 -0.124 0.000 0.813 249 P CB 0.245 31.890 31.700 -0.092 0.000 0.778 250 D N -2.579 117.756 120.400 -0.110 0.000 2.328 250 D HA 0.134 4.773 4.640 -0.001 0.000 0.226 250 D C 1.447 177.690 176.300 -0.095 0.000 1.066 250 D CA 0.447 54.396 54.000 -0.084 0.000 0.861 250 D CB -0.783 39.980 40.800 -0.062 0.000 0.912 250 D HN 0.203 nan 8.370 nan 0.000 0.521 251 G N 0.120 108.826 108.800 -0.156 0.000 2.241 251 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.244 251 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.244 251 G C 0.521 175.292 174.900 -0.216 0.000 0.998 251 G CA 0.349 45.344 45.100 -0.174 0.000 0.621 251 G HN 0.859 nan 8.290 nan 0.000 0.519 252 S N -0.579 115.028 115.700 -0.155 0.000 2.603 252 S HA 0.597 5.067 4.470 -0.001 0.000 0.268 252 S C -0.330 174.163 174.600 -0.178 0.000 1.317 252 S CA -0.051 58.114 58.200 -0.058 0.000 1.012 252 S CB 0.991 64.190 63.200 -0.002 0.000 0.926 252 S HN 0.572 nan 8.310 nan 0.000 0.539 253 W N 0.756 122.053 121.300 -0.004 0.000 2.587 253 W HA 0.612 5.272 4.660 -0.001 0.000 0.324 253 W C -0.255 176.237 176.519 -0.045 0.000 1.040 253 W CA -0.839 56.495 57.345 -0.019 0.000 1.222 253 W CB 1.685 31.140 29.460 -0.008 0.000 1.381 253 W HN 0.724 nan 8.180 nan 0.000 0.483 254 V N 2.524 122.529 119.914 0.152 0.000 3.001 254 V HA 0.560 4.679 4.120 -0.001 0.000 0.314 254 V C -0.579 175.533 176.094 0.030 0.000 1.099 254 V CA -1.168 61.170 62.300 0.063 0.000 0.989 254 V CB 1.946 33.776 31.823 0.012 0.000 1.040 254 V HN 0.527 nan 8.190 nan 0.000 0.434 255 N N 2.854 121.553 118.700 -0.003 0.000 2.452 255 N HA 0.114 4.854 4.740 -0.001 0.000 0.266 255 N C -0.822 174.689 175.510 0.003 0.000 1.209 255 N CA 0.144 53.186 53.050 -0.013 0.000 0.929 255 N CB 0.085 38.574 38.487 0.003 0.000 1.063 255 N HN 0.827 nan 8.380 nan 0.000 0.472 256 Y N 4.055 124.296 120.300 -0.098 0.000 2.544 256 Y HA 0.068 4.618 4.550 -0.000 0.000 0.330 256 Y C 0.360 176.150 175.900 -0.183 0.000 1.136 256 Y CA 0.157 58.164 58.100 -0.154 0.000 1.417 256 Y CB 0.260 38.576 38.460 -0.241 0.000 1.229 256 Y HN 0.527 nan 8.280 nan 0.000 0.532 257 N N 5.545 123.867 118.700 -0.629 0.000 2.414 257 N HA 0.006 4.746 4.740 -0.001 0.000 0.256 257 N C -0.424 174.899 175.510 -0.312 0.000 1.029 257 N CA 0.030 52.890 53.050 -0.317 0.000 0.948 257 N CB 0.346 38.714 38.487 -0.198 0.000 1.102 257 N HN 0.755 nan 8.380 nan 0.000 0.496 258 Y N 1.313 121.683 120.300 0.118 0.000 2.511 258 Y HA 0.058 4.607 4.550 -0.001 0.000 0.279 258 Y C 1.561 177.537 175.900 0.127 0.000 1.157 258 Y CA 0.073 58.287 58.100 0.191 0.000 1.300 258 Y CB 0.361 38.952 38.460 0.219 0.000 1.052 258 Y HN 0.515 nan 8.280 nan 0.000 0.529 259 D N 0.215 120.722 120.400 0.179 0.000 2.182 259 D HA -0.203 4.437 4.640 -0.001 0.000 0.201 259 D C 1.162 177.619 176.300 0.261 0.000 0.986 259 D CA 0.861 54.921 54.000 0.100 0.000 0.847 259 D CB -0.525 40.274 40.800 -0.001 0.000 0.942 259 D HN 0.448 nan 8.370 nan 0.000 0.467 263 K N 2.502 123.024 120.400 0.204 0.000 2.185 263 K HA 0.394 4.714 4.320 -0.001 0.000 0.271 263 K C -2.544 174.131 176.600 0.125 0.000 1.013 263 K CA -1.529 54.862 56.287 0.174 0.000 0.943 263 K CB 0.327 32.958 32.500 0.217 0.000 0.998 263 K HN -0.286 nan 8.250 nan 0.000 0.468 264 P HA -0.002 nan 4.420 nan 0.000 0.265 264 P C 0.491 177.844 177.300 0.088 0.000 1.193 264 P CA 0.669 63.812 63.100 0.071 0.000 0.765 264 P CB 0.727 32.462 31.700 0.059 0.000 0.823 265 G N 1.491 110.337 108.800 0.076 0.000 2.241 265 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.244 265 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.244 265 G C 0.609 175.594 174.900 0.141 0.000 0.998 265 G CA 0.080 45.234 45.100 0.091 0.000 0.621 265 G HN 0.839 nan 8.290 nan 0.000 0.519 269 Q N 0.579 120.475 119.800 0.160 0.000 2.187 269 Q HA 0.035 4.375 4.340 -0.001 0.000 0.199 269 Q C 1.630 177.764 176.000 0.223 0.000 0.957 269 Q CA 1.502 57.434 55.803 0.215 0.000 0.857 269 Q CB 0.434 29.355 28.738 0.305 0.000 0.929 269 Q HN 0.118 nan 8.270 nan 0.000 0.453 270 V N 1.058 121.066 119.914 0.157 0.000 2.548 270 V HA -0.140 3.980 4.120 -0.001 0.000 0.249 270 V C 2.025 177.898 176.094 -0.368 0.000 1.055 270 V CA 1.491 63.728 62.300 -0.105 0.000 1.065 270 V CB -0.626 31.148 31.823 -0.082 0.000 0.681 270 V HN 0.305 nan 8.190 nan 0.000 0.462 271 A N -0.597 122.132 122.820 -0.151 0.000 2.264 271 A HA -0.105 4.215 4.320 -0.001 0.000 0.207 271 A C 2.005 179.530 177.584 -0.099 0.000 1.196 271 A CA 0.925 52.882 52.037 -0.133 0.000 0.778 271 A CB -0.445 18.521 19.000 -0.057 0.000 0.779 271 A HN 0.636 nan 8.150 nan 0.000 0.483 272 E N -1.743 118.407 120.200 -0.083 0.000 2.318 272 E HA -0.050 4.299 4.350 -0.001 0.000 0.193 272 E C 0.875 177.539 176.600 0.108 0.000 0.998 272 E CA 1.153 57.584 56.400 0.051 0.000 0.859 272 E CB 0.026 29.826 29.700 0.167 0.000 0.812 272 E HN 1.016 nan 8.360 nan 0.000 0.492 273 Y N -3.032 117.311 120.300 0.072 0.000 2.540 273 Y HA 0.595 5.145 4.550 -0.001 0.000 0.257 273 Y C 0.007 175.948 175.900 0.067 0.000 1.090 273 Y CA -0.670 57.471 58.100 0.068 0.000 1.242 273 Y CB 0.301 38.807 38.460 0.077 0.000 1.325 273 Y HN -0.122 nan 8.280 nan 0.000 0.544 274 A N 0.821 123.373 122.820 -0.445 0.000 2.374 274 A HA 0.487 4.807 4.320 -0.001 0.000 0.317 274 A C -0.095 177.409 177.584 -0.133 0.000 1.094 274 A CA -0.433 51.454 52.037 -0.250 0.000 0.765 274 A CB 0.965 19.738 19.000 -0.378 0.000 1.268 274 A HN 0.317 nan 8.150 nan 0.000 0.438 275 D N 0.883 121.258 120.400 -0.042 0.000 2.346 275 D HA 0.225 4.864 4.640 -0.001 0.000 0.206 275 D C 0.797 177.076 176.300 -0.035 0.000 1.001 275 D CA 1.389 55.382 54.000 -0.013 0.000 0.871 275 D CB 0.842 41.668 40.800 0.044 0.000 0.943 275 D HN 0.727 nan 8.370 nan 0.000 0.518 276 G N 0.728 109.493 108.800 -0.058 0.000 2.649 276 G HA2 0.556 4.515 3.960 -0.001 0.000 0.290 276 G HA3 0.556 4.515 3.960 -0.001 0.000 0.290 276 G C -1.506 173.331 174.900 -0.107 0.000 1.426 276 G CA -0.782 44.243 45.100 -0.125 0.000 0.794 276 G HN 0.082 nan 8.290 nan 0.000 0.483 277 I N -2.206 118.286 120.570 -0.130 0.000 2.608 277 I HA 0.855 5.024 4.170 -0.001 0.000 0.295 277 I C 0.126 176.222 176.117 -0.035 0.000 1.049 277 I CA -1.338 59.911 61.300 -0.085 0.000 1.063 277 I CB 2.747 40.674 38.000 -0.121 0.000 1.248 277 I HN 0.697 nan 8.210 nan 0.000 0.424 278 G N 4.982 113.792 108.800 0.016 0.000 3.205 278 G HA2 0.592 4.552 3.960 -0.001 0.000 0.343 278 G HA3 0.592 4.552 3.960 -0.001 0.000 0.343 278 G C -2.899 172.051 174.900 0.083 0.000 1.305 278 G CA -1.282 43.895 45.100 0.130 0.000 1.120 278 G HN 0.503 nan 8.290 nan 0.000 0.472 279 P HA 0.223 nan 4.420 nan 0.000 0.290 279 P C -0.705 176.226 177.300 -0.616 0.000 1.275 279 P CA -0.586 62.350 63.100 -0.273 0.000 0.841 279 P CB 2.271 33.809 31.700 -0.271 0.000 1.042 280 D N 2.286 122.177 120.400 -0.847 0.000 2.450 280 D HA -0.097 4.542 4.640 -0.001 0.000 0.247 280 D C 0.952 176.974 176.300 -0.464 0.000 1.162 280 D CA 0.006 53.413 54.000 -0.989 0.000 0.879 280 D CB 0.515 41.070 40.800 -0.409 0.000 1.163 280 D HN 0.378 nan 8.370 nan 0.000 0.472 281 Y N 3.377 123.479 120.300 -0.330 0.000 2.538 281 Y HA -0.122 4.428 4.550 -0.001 0.000 0.287 281 Y C 0.415 176.222 175.900 -0.155 0.000 1.157 281 Y CA 0.643 58.603 58.100 -0.233 0.000 1.338 281 Y CB -1.113 37.195 38.460 -0.253 0.000 0.970 281 Y HN 0.388 nan 8.280 nan 0.000 0.564 285 I N 0.866 121.452 120.570 0.028 0.000 2.474 285 I HA 0.312 4.482 4.170 -0.001 0.000 0.294 285 I C 0.056 176.176 176.117 0.004 0.000 1.005 285 I CA -0.661 60.605 61.300 -0.057 0.000 1.113 285 I CB 2.127 40.015 38.000 -0.187 0.000 1.289 285 I HN -0.053 nan 8.210 nan 0.000 0.436 286 E N 4.955 125.125 120.200 -0.051 0.000 2.344 286 E HA 0.029 4.378 4.350 -0.001 0.000 0.270 286 E C 0.667 177.305 176.600 0.064 0.000 1.021 286 E CA 0.008 56.418 56.400 0.016 0.000 0.887 286 E CB 1.007 30.702 29.700 -0.008 0.000 0.997 286 E HN 0.427 nan 8.360 nan 0.000 0.429 287 E N 1.322 121.611 120.200 0.149 0.000 2.209 287 E HA -0.135 4.215 4.350 -0.001 0.000 0.196 287 E C 1.602 178.310 176.600 0.181 0.000 0.993 287 E CA 1.345 57.880 56.400 0.225 0.000 0.819 287 E CB -0.204 29.582 29.700 0.143 0.000 0.745 287 E HN 0.588 nan 8.360 nan 0.000 0.477 288 T N -1.227 113.385 114.554 0.098 0.000 3.098 288 T HA 0.019 4.368 4.350 -0.001 0.000 0.266 288 T C 1.126 175.866 174.700 0.067 0.000 1.145 288 T CA 0.058 62.201 62.100 0.071 0.000 1.092 288 T CB -0.059 68.832 68.868 0.039 0.000 0.908 288 T HN -0.166 nan 8.240 nan 0.000 0.526 289 S N 2.110 117.838 115.700 0.048 0.000 2.568 289 S HA 0.249 4.719 4.470 -0.001 0.000 0.282 289 S C 0.183 174.864 174.600 0.136 0.000 1.338 289 S CA -0.493 57.691 58.200 -0.026 0.000 1.045 289 S CB 0.544 63.520 63.200 -0.374 0.000 0.873 289 S HN 0.417 nan 8.310 nan 0.000 0.516 290 Q N 0.941 120.797 119.800 0.093 0.000 2.458 290 Q HA 0.435 4.775 4.340 -0.001 0.000 0.282 290 Q C -2.800 173.274 176.000 0.123 0.000 1.106 290 Q CA -2.609 53.271 55.803 0.129 0.000 0.814 290 Q CB 0.831 29.613 28.738 0.073 0.000 1.425 290 Q HN 0.266 nan 8.270 nan 0.000 0.437 291 P HA -0.056 nan 4.420 nan 0.000 0.261 291 P C 0.727 178.062 177.300 0.058 0.000 1.173 291 P CA 1.712 64.867 63.100 0.092 0.000 0.760 291 P CB 0.231 31.969 31.700 0.063 0.000 0.783 292 G N 2.943 111.772 108.800 0.049 0.000 2.377 292 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.250 292 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.250 292 G C 0.557 175.467 174.900 0.017 0.000 1.039 292 G CA -0.116 45.003 45.100 0.031 0.000 0.625 292 G HN 0.616 nan 8.290 nan 0.000 0.526 293 N N 1.242 119.951 118.700 0.016 0.000 2.936 293 N HA 0.403 5.143 4.740 -0.001 0.000 0.243 293 N C -0.334 175.151 175.510 -0.042 0.000 1.149 293 N CA -0.288 52.759 53.050 -0.004 0.000 0.914 293 N CB 0.138 38.629 38.487 0.008 0.000 1.179 293 N HN 0.217 nan 8.380 nan 0.000 0.502 294 I N 2.293 122.819 120.570 -0.074 0.000 2.315 294 I HA 0.265 4.435 4.170 -0.001 0.000 0.291 294 I C 0.271 176.304 176.117 -0.140 0.000 1.006 294 I CA -0.426 60.772 61.300 -0.170 0.000 1.265 294 I CB 0.990 38.887 38.000 -0.172 0.000 1.387 294 I HN 0.007 nan 8.210 nan 0.000 0.475 295 K N 6.827 127.127 120.400 -0.166 0.000 2.274 295 K HA 0.655 4.974 4.320 -0.001 0.000 0.262 295 K C -0.739 175.796 176.600 -0.109 0.000 0.961 295 K CA -0.585 55.641 56.287 -0.102 0.000 0.833 295 K CB 2.293 34.754 32.500 -0.066 0.000 1.102 295 K HN 0.415 nan 8.250 nan 0.000 0.436 296 L N 2.109 123.289 121.223 -0.072 0.000 2.379 296 L HA 0.350 4.690 4.340 -0.001 0.000 0.269 296 L C 1.150 178.002 176.870 -0.029 0.000 1.084 296 L CA -0.743 54.062 54.840 -0.057 0.000 0.802 296 L CB 1.056 43.086 42.059 -0.047 0.000 1.175 296 L HN 0.786 nan 8.230 nan 0.000 0.448 297 T N -0.865 113.679 114.554 -0.017 0.000 2.833 297 T HA 0.479 4.829 4.350 -0.001 0.000 0.312 297 T C 0.376 175.071 174.700 -0.008 0.000 1.085 297 T CA -0.219 61.884 62.100 0.006 0.000 0.955 297 T CB 1.083 69.968 68.868 0.027 0.000 1.353 297 T HN 0.660 nan 8.240 nan 0.000 0.544 301 Q N 0.600 120.380 119.800 -0.034 0.000 2.020 301 Q HA -0.268 4.071 4.340 -0.001 0.000 0.202 301 Q C 1.743 177.728 176.000 -0.024 0.000 0.982 301 Q CA 2.161 57.950 55.803 -0.022 0.000 0.838 301 Q CB -0.231 28.499 28.738 -0.013 0.000 0.899 301 Q HN 0.708 nan 8.270 nan 0.000 0.423 302 D N 0.074 120.458 120.400 -0.027 0.000 2.315 302 D HA -0.152 4.488 4.640 -0.001 0.000 0.211 302 D C 1.345 177.623 176.300 -0.036 0.000 0.977 302 D CA 1.248 55.234 54.000 -0.024 0.000 0.894 302 D CB 0.107 40.892 40.800 -0.024 0.000 0.910 302 D HN 0.288 nan 8.370 nan 0.000 0.490 303 A N -0.206 122.583 122.820 -0.052 0.000 1.884 303 A HA -0.011 4.308 4.320 -0.001 0.000 0.212 303 A C 2.127 179.682 177.584 -0.048 0.000 1.265 303 A CA 0.756 52.755 52.037 -0.064 0.000 0.626 303 A CB -0.494 18.453 19.000 -0.088 0.000 0.943 303 A HN 0.225 nan 8.150 nan 0.000 0.466 304 Q N -0.448 119.327 119.800 -0.040 0.000 2.226 304 Q HA -0.222 4.118 4.340 -0.001 0.000 0.204 304 Q C 2.119 178.109 176.000 -0.016 0.000 0.975 304 Q CA 1.424 57.211 55.803 -0.027 0.000 0.866 304 Q CB -0.171 28.557 28.738 -0.017 0.000 0.915 304 Q HN 0.760 nan 8.270 nan 0.000 0.440 305 Q N 0.628 120.419 119.800 -0.015 0.000 2.226 305 Q HA -0.092 4.247 4.340 -0.001 0.000 0.204 305 Q C 0.646 176.643 176.000 -0.006 0.000 0.975 305 Q CA 0.759 56.558 55.803 -0.007 0.000 0.866 305 Q CB 0.275 29.011 28.738 -0.005 0.000 0.915 305 Q HN 0.339 nan 8.270 nan 0.000 0.440 306 N N 0.913 119.605 118.700 -0.013 0.000 2.376 306 N HA 0.014 4.753 4.740 -0.001 0.000 0.249 306 N C -0.963 174.536 175.510 -0.018 0.000 1.140 306 N CA 0.038 53.081 53.050 -0.012 0.000 0.870 306 N CB 0.762 39.241 38.487 -0.014 0.000 1.124 306 N HN 0.020 nan 8.380 nan 0.000 0.505 307 K N 0.405 120.797 120.400 -0.014 0.000 3.490 307 K HA -0.200 4.120 4.320 -0.001 0.000 0.273 307 K C -0.680 175.904 176.600 -0.026 0.000 0.916 307 K CA 0.490 56.769 56.287 -0.013 0.000 0.718 307 K CB -1.510 30.988 32.500 -0.003 0.000 1.477 307 K HN 0.249 nan 8.250 nan 0.000 0.452 308 L N -0.135 121.063 121.223 -0.042 0.000 2.362 308 L HA 0.418 4.758 4.340 -0.001 0.000 0.275 308 L C -0.267 176.550 176.870 -0.088 0.000 0.998 308 L CA -0.887 53.912 54.840 -0.068 0.000 0.820 308 L CB 2.024 44.033 42.059 -0.083 0.000 1.270 308 L HN 0.115 nan 8.230 nan 0.000 0.415 309 V N 5.909 125.750 119.914 -0.121 0.000 2.775 309 V HA 0.458 4.577 4.120 -0.001 0.000 0.299 309 V C -0.622 175.287 176.094 -0.309 0.000 1.062 309 V CA -0.145 62.033 62.300 -0.203 0.000 1.063 309 V CB 1.682 33.343 31.823 -0.270 0.000 0.994 309 V HN 0.510 nan 8.190 nan 0.000 0.483 310 V N 6.897 126.646 119.914 -0.274 0.000 2.407 310 V HA 0.461 4.581 4.120 -0.001 0.000 0.291 310 V C -0.629 175.407 176.094 -0.098 0.000 1.018 310 V CA -0.468 61.716 62.300 -0.194 0.000 0.842 310 V CB 1.286 33.055 31.823 -0.091 0.000 0.996 310 V HN 1.009 nan 8.190 nan 0.000 0.426 311 H N 5.816 124.869 119.070 -0.028 0.000 2.645 311 H HA 0.328 4.884 4.556 -0.001 0.000 0.257 311 H C -2.538 172.883 175.328 0.156 0.000 1.269 311 H CA -1.946 54.090 56.048 -0.021 0.000 1.409 311 H CB 1.757 31.457 29.762 -0.103 0.000 1.434 311 H HN 0.473 nan 8.280 nan 0.000 0.505 312 P HA 0.008 nan 4.420 nan 0.000 0.274 312 P C -1.052 176.440 177.300 0.319 0.000 1.237 312 P CA -0.229 62.951 63.100 0.133 0.000 0.793 312 P CB 1.243 32.953 31.700 0.015 0.000 0.977 313 Y N -2.044 118.365 120.300 0.182 0.000 2.524 313 Y HA 0.751 5.301 4.550 -0.001 0.000 0.347 313 Y C -0.890 175.080 175.900 0.116 0.000 1.005 313 Y CA -1.183 56.968 58.100 0.085 0.000 1.025 313 Y CB 1.314 39.619 38.460 -0.258 0.000 1.275 313 Y HN 0.481 nan 8.280 nan 0.000 0.460 314 T N 0.381 115.096 114.554 0.269 0.000 2.937 314 T HA 0.550 4.899 4.350 -0.001 0.000 0.297 314 T C -1.288 173.530 174.700 0.197 0.000 0.991 314 T CA -0.800 61.378 62.100 0.130 0.000 0.990 314 T CB 0.863 69.512 68.868 -0.364 0.000 0.991 314 T HN 0.714 nan 8.240 nan 0.000 0.440 315 V N 4.756 124.722 119.914 0.087 0.000 2.446 315 V HA 0.337 4.456 4.120 -0.001 0.000 0.276 315 V C 0.563 176.666 176.094 0.014 0.000 1.030 315 V CA -0.100 62.146 62.300 -0.090 0.000 1.033 315 V CB -0.333 31.301 31.823 -0.315 0.000 0.993 315 V HN 0.788 nan 8.190 nan 0.000 0.477 316 R N 3.203 123.705 120.500 0.003 0.000 2.388 316 R HA 0.274 4.614 4.340 -0.001 0.000 0.314 316 R C 1.093 177.271 176.300 -0.203 0.000 0.959 316 R CA -0.194 55.940 56.100 0.057 0.000 0.851 316 R CB 1.496 31.849 30.300 0.088 0.000 1.168 316 R HN 0.807 nan 8.270 nan 0.000 0.472 317 S N 0.493 115.818 115.700 -0.625 0.000 2.537 317 S HA -0.131 4.339 4.470 -0.001 0.000 0.240 317 S C 0.725 175.081 174.600 -0.407 0.000 0.981 317 S CA 1.021 58.831 58.200 -0.649 0.000 0.948 317 S CB -0.148 62.470 63.200 -0.969 0.000 0.759 317 S HN 0.688 nan 8.310 nan 0.000 0.531 318 D N 0.035 120.284 120.400 -0.252 0.000 2.538 318 D HA 0.254 4.893 4.640 -0.001 0.000 0.231 318 D C 0.149 176.498 176.300 0.081 0.000 1.229 318 D CA -0.339 53.637 54.000 -0.039 0.000 0.828 318 D CB -0.130 40.716 40.800 0.076 0.000 1.035 318 D HN 0.431 nan 8.370 nan 0.000 0.495 319 K N 0.971 121.401 120.400 0.048 0.000 3.446 319 K HA 0.191 4.510 4.320 -0.001 0.000 0.168 319 K C -1.122 175.526 176.600 0.080 0.000 1.108 319 K CA -0.317 56.041 56.287 0.118 0.000 0.738 319 K CB 0.272 32.915 32.500 0.239 0.000 0.912 319 K HN 0.016 nan 8.250 nan 0.000 0.541 320 L N 2.792 124.013 121.223 -0.003 0.000 2.375 320 L HA 0.482 4.821 4.340 -0.001 0.000 0.271 320 L C -1.576 175.265 176.870 -0.048 0.000 1.107 320 L CA -1.753 53.057 54.840 -0.051 0.000 0.806 320 L CB 0.463 42.446 42.059 -0.126 0.000 1.146 320 L HN 0.306 nan 8.230 nan 0.000 0.447 321 P HA 0.088 nan 4.420 nan 0.000 0.274 321 P C 0.076 177.131 177.300 -0.409 0.000 1.256 321 P CA -0.435 62.502 63.100 -0.270 0.000 0.795 321 P CB 0.983 32.381 31.700 -0.503 0.000 1.038 322 E N 0.221 120.176 120.200 -0.409 0.000 2.118 322 E HA -0.176 4.173 4.350 -0.001 0.000 0.195 322 E C 1.840 178.333 176.600 -0.178 0.000 0.992 322 E CA 1.644 57.904 56.400 -0.234 0.000 0.804 322 E CB -0.700 28.933 29.700 -0.113 0.000 0.741 322 E HN 0.611 nan 8.360 nan 0.000 0.458 323 Y N 0.410 120.723 120.300 0.022 0.000 2.516 323 Y HA 0.070 4.620 4.550 -0.001 0.000 0.291 323 Y C 1.180 177.068 175.900 -0.020 0.000 1.131 323 Y CA 0.743 58.845 58.100 0.004 0.000 1.281 323 Y CB -0.876 37.589 38.460 0.008 0.000 1.013 323 Y HN -0.169 nan 8.280 nan 0.000 0.554 324 T N -2.122 112.446 114.554 0.023 0.000 3.149 324 T HA 0.391 4.741 4.350 -0.001 0.000 0.373 324 T C -2.285 172.380 174.700 -0.059 0.000 1.364 324 T CA -2.392 59.713 62.100 0.008 0.000 1.110 324 T CB 1.498 70.342 68.868 -0.040 0.000 1.127 324 T HN -0.139 nan 8.240 nan 0.000 0.576 325 P HA -0.089 nan 4.420 nan 0.000 0.216 325 P C 0.273 177.545 177.300 -0.047 0.000 1.150 325 P CA 1.400 64.481 63.100 -0.031 0.000 0.843 325 P CB 0.150 31.847 31.700 -0.006 0.000 0.787 326 D N -3.124 117.247 120.400 -0.049 0.000 2.671 326 D HA 0.071 4.710 4.640 -0.001 0.000 0.232 326 D C 0.756 176.991 176.300 -0.109 0.000 1.114 326 D CA -0.759 53.203 54.000 -0.063 0.000 0.858 326 D CB 2.157 42.947 40.800 -0.017 0.000 1.544 326 D HN -0.276 nan 8.370 nan 0.000 0.471 327 V N 2.039 121.852 119.914 -0.169 0.000 2.439 327 V HA -0.311 3.808 4.120 -0.001 0.000 0.253 327 V C 1.843 177.765 176.094 -0.286 0.000 1.074 327 V CA 1.964 64.069 62.300 -0.326 0.000 1.076 327 V CB -0.692 30.916 31.823 -0.359 0.000 0.664 327 V HN 0.546 nan 8.190 nan 0.000 0.461 328 N N -0.314 118.386 118.700 0.001 0.000 2.205 328 N HA -0.207 4.533 4.740 -0.001 0.000 0.186 328 N C 1.807 177.342 175.510 0.041 0.000 1.015 328 N CA 1.689 54.836 53.050 0.161 0.000 0.862 328 N CB -0.267 38.405 38.487 0.309 0.000 0.986 328 N HN 0.664 nan 8.380 nan 0.000 0.429 329 Q N -0.051 119.746 119.800 -0.005 0.000 2.167 329 Q HA -0.061 4.279 4.340 -0.001 0.000 0.202 329 Q C 1.915 177.857 176.000 -0.097 0.000 0.970 329 Q CA 0.620 56.422 55.803 -0.002 0.000 0.855 329 Q CB -0.045 28.699 28.738 0.011 0.000 0.911 329 Q HN 0.182 nan 8.270 nan 0.000 0.438 330 L N -0.523 120.558 121.223 -0.236 0.000 2.072 330 L HA -0.139 4.201 4.340 -0.001 0.000 0.205 330 L C 1.713 178.320 176.870 -0.438 0.000 1.079 330 L CA 1.736 56.353 54.840 -0.373 0.000 0.752 330 L CB -0.536 41.185 42.059 -0.563 0.000 0.906 330 L HN 0.132 nan 8.230 nan 0.000 0.436 331 Y N -0.178 119.846 120.300 -0.460 0.000 2.145 331 Y HA -0.229 4.321 4.550 -0.001 0.000 0.286 331 Y C 2.618 178.194 175.900 -0.540 0.000 1.145 331 Y CA 1.590 59.281 58.100 -0.682 0.000 1.148 331 Y CB -0.900 36.837 38.460 -1.206 0.000 0.981 331 Y HN 0.310 nan 8.280 nan 0.000 0.507 332 D N -0.169 120.091 120.400 -0.234 0.000 2.104 332 D HA -0.193 4.447 4.640 -0.001 0.000 0.194 332 D C 2.237 178.595 176.300 0.098 0.000 0.994 332 D CA 1.517 55.637 54.000 0.199 0.000 0.830 332 D CB -0.353 40.625 40.800 0.297 0.000 0.959 332 D HN 0.241 nan 8.370 nan 0.000 0.452 333 A N 0.054 122.863 122.820 -0.020 0.000 1.940 333 A HA -0.110 4.209 4.320 -0.001 0.000 0.219 333 A C 2.578 180.122 177.584 -0.066 0.000 1.176 333 A CA 1.372 53.379 52.037 -0.051 0.000 0.631 333 A CB -0.631 18.307 19.000 -0.103 0.000 0.814 333 A HN 0.386 nan 8.150 nan 0.000 0.446 334 L N -2.960 118.187 121.223 -0.127 0.000 2.145 334 L HA -0.031 4.309 4.340 -0.001 0.000 0.201 334 L C 2.563 179.402 176.870 -0.051 0.000 1.075 334 L CA 0.844 55.593 54.840 -0.152 0.000 0.773 334 L CB -0.663 41.212 42.059 -0.305 0.000 0.936 334 L HN 0.348 nan 8.230 nan 0.000 0.451 335 Y N 0.738 121.048 120.300 0.015 0.000 2.163 335 Y HA -0.177 4.373 4.550 -0.001 0.000 0.288 335 Y C 2.295 178.248 175.900 0.088 0.000 1.136 335 Y CA 1.567 59.711 58.100 0.074 0.000 1.147 335 Y CB -0.546 38.005 38.460 0.153 0.000 0.987 335 Y HN 0.260 nan 8.280 nan 0.000 0.509 336 N N -1.029 117.836 118.700 0.274 0.000 2.414 336 N HA -0.060 4.680 4.740 -0.001 0.000 0.189 336 N C 1.731 177.302 175.510 0.102 0.000 1.039 336 N CA 0.239 53.397 53.050 0.180 0.000 0.889 336 N CB 0.125 38.732 38.487 0.200 0.000 1.085 336 N HN 0.018 nan 8.380 nan 0.000 0.442 337 K N 1.364 121.810 120.400 0.077 0.000 2.009 337 K HA -0.064 4.255 4.320 -0.001 0.000 0.210 337 K C 1.784 178.394 176.600 0.017 0.000 1.049 337 K CA 1.384 57.690 56.287 0.032 0.000 0.929 337 K CB -0.298 32.204 32.500 0.004 0.000 0.714 337 K HN 0.172 nan 8.250 nan 0.000 0.440 338 A N 0.061 122.887 122.820 0.010 0.000 2.195 338 A HA 0.269 4.588 4.320 -0.001 0.000 0.210 338 A C 1.314 178.911 177.584 0.021 0.000 1.165 338 A CA 0.853 52.889 52.037 -0.002 0.000 0.806 338 A CB -0.046 18.937 19.000 -0.029 0.000 0.847 338 A HN 0.403 nan 8.150 nan 0.000 0.482 339 G N 0.241 109.076 108.800 0.057 0.000 2.273 339 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.280 339 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.280 339 G C 0.389 175.344 174.900 0.092 0.000 1.047 339 G CA 0.480 45.631 45.100 0.085 0.000 0.869 339 G HN 1.736 nan 8.290 nan 0.000 0.502 340 V N -2.401 117.566 119.914 0.088 0.000 2.872 340 V HA 0.384 4.504 4.120 -0.001 0.000 0.307 340 V C 1.370 177.577 176.094 0.188 0.000 1.072 340 V CA 0.637 62.985 62.300 0.081 0.000 1.148 340 V CB 0.730 32.550 31.823 -0.004 0.000 0.954 340 V HN 0.248 nan 8.190 nan 0.000 0.490 341 N N 2.621 121.423 118.700 0.171 0.000 2.300 341 N HA 0.340 5.079 4.740 -0.001 0.000 0.179 341 N C 0.622 176.308 175.510 0.293 0.000 1.016 341 N CA 1.161 54.340 53.050 0.216 0.000 0.876 341 N CB -0.073 38.516 38.487 0.171 0.000 0.979 341 N HN 1.115 nan 8.380 nan 0.000 0.432 342 G N -0.815 108.171 108.800 0.311 0.000 2.608 342 G HA2 0.622 4.581 3.960 -0.001 0.000 0.291 342 G HA3 0.622 4.581 3.960 -0.001 0.000 0.291 342 G C -2.131 172.740 174.900 -0.049 0.000 1.425 342 G CA -0.767 44.404 45.100 0.119 0.000 0.787 342 G HN 0.176 nan 8.290 nan 0.000 0.484 343 L N -2.905 118.188 121.223 -0.216 0.000 2.653 343 L HA 0.833 5.172 4.340 -0.001 0.000 0.257 343 L C -1.674 175.058 176.870 -0.231 0.000 0.969 343 L CA -1.265 53.448 54.840 -0.211 0.000 0.869 343 L CB 0.954 42.848 42.059 -0.274 0.000 1.439 343 L HN 0.426 nan 8.230 nan 0.000 0.414 344 F N 0.238 120.167 119.950 -0.036 0.000 2.396 344 F HA 0.790 5.316 4.527 -0.001 0.000 0.343 344 F C 0.938 176.760 175.800 0.037 0.000 1.104 344 F CA 0.024 58.025 58.000 0.002 0.000 1.161 344 F CB 1.895 40.902 39.000 0.012 0.000 1.146 344 F HN 0.768 nan 8.300 nan 0.000 0.522 345 T N 0.968 115.680 114.554 0.263 0.000 2.923 345 T HA 0.256 4.605 4.350 -0.001 0.000 0.311 345 T C -0.166 174.654 174.700 0.199 0.000 1.183 345 T CA -0.711 61.529 62.100 0.234 0.000 1.020 345 T CB 1.210 70.272 68.868 0.324 0.000 1.165 345 T HN 0.507 nan 8.240 nan 0.000 0.482 346 D N 1.848 122.337 120.400 0.147 0.000 2.340 346 D HA 0.207 4.847 4.640 -0.001 0.000 0.220 346 D C -0.331 175.608 176.300 -0.602 0.000 1.039 346 D CA 0.615 54.511 54.000 -0.172 0.000 0.866 346 D CB 0.042 40.662 40.800 -0.299 0.000 0.913 346 D HN 0.428 nan 8.370 nan 0.000 0.523 347 F N -0.389 119.519 119.950 -0.070 0.000 2.660 347 F HA 0.309 4.836 4.527 -0.000 0.000 0.352 347 F C -1.790 174.087 175.800 0.128 0.000 1.257 347 F CA -2.281 55.679 58.000 -0.065 0.000 1.200 347 F CB 1.740 40.716 39.000 -0.040 0.000 1.473 347 F HN -0.227 nan 8.300 nan 0.000 0.561 348 P HA -0.225 nan 4.420 nan 0.000 0.216 348 P C 1.500 178.914 177.300 0.188 0.000 1.153 348 P CA 1.844 65.057 63.100 0.190 0.000 0.858 348 P CB 0.212 32.005 31.700 0.156 0.000 0.789 349 D N 0.270 120.823 120.400 0.254 0.000 2.149 349 D HA -0.201 4.438 4.640 -0.001 0.000 0.198 349 D C 1.451 177.858 176.300 0.179 0.000 0.990 349 D CA 1.485 55.606 54.000 0.201 0.000 0.839 349 D CB -0.777 40.153 40.800 0.217 0.000 0.948 349 D HN 0.205 nan 8.370 nan 0.000 0.460 350 K N 0.608 121.162 120.400 0.256 0.000 2.057 350 K HA 0.036 4.355 4.320 -0.001 0.000 0.206 350 K C 2.418 179.010 176.600 -0.013 0.000 1.050 350 K CA 1.212 57.632 56.287 0.221 0.000 0.935 350 K CB -0.191 32.527 32.500 0.364 0.000 0.715 350 K HN 0.195 nan 8.250 nan 0.000 0.439 351 A N 1.255 123.964 122.820 -0.186 0.000 1.898 351 A HA -0.108 4.212 4.320 -0.001 0.000 0.216 351 A C 2.424 179.903 177.584 -0.176 0.000 1.181 351 A CA 1.321 53.002 52.037 -0.593 0.000 0.620 351 A CB -0.636 18.192 19.000 -0.286 0.000 0.819 351 A HN 0.057 nan 8.150 nan 0.000 0.442 352 V N 0.351 120.239 119.914 -0.043 0.000 2.307 352 V HA -0.262 3.858 4.120 -0.001 0.000 0.245 352 V C 2.547 178.637 176.094 -0.007 0.000 1.045 352 V CA 2.341 64.631 62.300 -0.017 0.000 1.024 352 V CB -0.658 31.172 31.823 0.011 0.000 0.651 352 V HN 0.700 nan 8.190 nan 0.000 0.449 353 K N -0.334 120.081 120.400 0.025 0.000 2.063 353 K HA -0.265 4.055 4.320 -0.001 0.000 0.208 353 K C 2.172 178.788 176.600 0.026 0.000 1.048 353 K CA 2.219 58.526 56.287 0.032 0.000 0.928 353 K CB -0.356 32.186 32.500 0.070 0.000 0.713 353 K HN 0.416 nan 8.250 nan 0.000 0.442 354 F N 1.608 121.495 119.950 -0.106 0.000 2.102 354 F HA -0.126 4.400 4.527 -0.001 0.000 0.298 354 F C 1.593 177.318 175.800 -0.124 0.000 1.105 354 F CA 1.312 59.252 58.000 -0.099 0.000 1.239 354 F CB -0.168 38.743 39.000 -0.149 0.000 0.991 354 F HN -0.034 nan 8.300 nan 0.000 0.474 355 L N 0.209 121.419 121.223 -0.022 0.000 2.549 355 L HA -0.098 4.242 4.340 -0.001 0.000 0.229 355 L C 0.244 176.988 176.870 -0.211 0.000 1.158 355 L CA 0.349 55.081 54.840 -0.180 0.000 0.842 355 L CB -0.813 41.140 42.059 -0.177 0.000 0.952 355 L HN 0.227 nan 8.230 nan 0.000 0.452 356 N N 0.000 118.596 118.700 -0.174 0.000 1.763 356 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 356 N CA 0.000 52.969 53.050 -0.135 0.000 0.885 356 N CB 0.000 38.437 38.487 -0.083 0.000 1.341 356 N HN 0.000 nan 8.380 nan 0.000 0.667