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 3g7r_1_A DATA FIRST_RESID -6 DATA SEQUENCE NLYFQXXXXX XXXXXXXXXS EARARLLGTA TRIFYAEGIH SVGIDRITAE DATA SEQUENCE AQVTRATLYR HFSGKDDLIL AYLDQADRGI RAQVTAARGS SPAADGQVRA DATA SEQUENCE VARSIVDGIR SPGFRGCAFL NAVAEYPDPA HPVHRAVLAH RQWFLDTVTE DATA SEQUENCE LLAQVGDGDG VAAGRHLVXL RDGAXAAGCL FDPELVSETF LHGVEGVLRD DATA SEQUENCE VSE 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 -6 N HA 0.000 nan 4.740 nan 0.000 0.220 -6 N C 0.000 175.407 175.510 -0.172 0.000 1.280 -6 N CA 0.000 52.977 53.050 -0.122 0.000 0.885 -6 N CB 0.000 38.417 38.487 -0.116 0.000 1.341 -5 L N 2.065 123.075 121.223 -0.356 0.000 2.475 -5 L HA 0.206 4.546 4.340 -0.000 0.000 0.253 -5 L C 1.351 177.875 176.870 -0.576 0.000 1.198 -5 L CA -0.231 54.275 54.840 -0.557 0.000 0.814 -5 L CB 0.152 41.547 42.059 -1.107 0.000 1.134 -5 L HN 0.575 nan 8.230 nan 0.000 0.478 -4 Y N 0.159 120.203 120.300 -0.426 0.000 2.333 -4 Y HA -0.221 4.329 4.550 0.000 0.000 0.290 -4 Y C 1.620 177.464 175.900 -0.093 0.000 1.144 -4 Y CA 0.715 58.742 58.100 -0.121 0.000 1.228 -4 Y CB -0.839 37.709 38.460 0.147 0.000 0.985 -4 Y HN 0.430 nan 8.280 nan 0.000 0.542 -3 F N -0.026 119.524 119.950 -0.667 0.000 2.732 -3 F HA 0.443 4.970 4.527 0.000 0.000 0.303 -3 F C 0.368 176.032 175.800 -0.227 0.000 1.110 -3 F CA -0.977 56.748 58.000 -0.457 0.000 1.355 -3 F CB -0.623 37.979 39.000 -0.663 0.000 1.081 -3 F HN 0.040 nan 8.300 nan 0.000 0.565 14 E N 2.871 123.051 120.200 -0.034 0.000 2.106 14 E HA -0.045 4.305 4.350 -0.000 0.000 0.192 14 E C 2.264 178.837 176.600 -0.044 0.000 0.984 14 E CA 1.280 57.662 56.400 -0.031 0.000 0.806 14 E CB -0.113 29.580 29.700 -0.012 0.000 0.750 14 E HN 0.733 nan 8.360 nan 0.000 0.458 15 A N 1.698 124.495 122.820 -0.038 0.000 1.883 15 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 15 A C 2.133 179.643 177.584 -0.123 0.000 1.186 15 A CA 1.624 53.643 52.037 -0.030 0.000 0.624 15 A CB -0.486 18.555 19.000 0.068 0.000 0.822 15 A HN 0.080 nan 8.150 nan 0.000 0.444 16 R N -0.511 119.774 120.500 -0.357 0.000 2.081 16 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 16 R C 2.313 178.557 176.300 -0.094 0.000 1.131 16 R CA 1.395 57.252 56.100 -0.405 0.000 0.960 16 R CB -0.385 29.514 30.300 -0.667 0.000 0.856 16 R HN 0.463 nan 8.270 nan 0.000 0.436 17 A N 1.033 123.802 122.820 -0.085 0.000 1.902 17 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 17 A C 2.147 179.715 177.584 -0.025 0.000 1.181 17 A CA 1.231 53.248 52.037 -0.033 0.000 0.623 17 A CB -0.398 18.582 19.000 -0.033 0.000 0.818 17 A HN 0.327 nan 8.150 nan 0.000 0.443 18 R N -0.756 119.724 120.500 -0.033 0.000 2.081 18 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 18 R C 2.115 178.389 176.300 -0.044 0.000 1.131 18 R CA 1.361 57.440 56.100 -0.035 0.000 0.960 18 R CB -0.551 29.732 30.300 -0.028 0.000 0.856 18 R HN 0.498 nan 8.270 nan 0.000 0.436 19 L N 0.390 121.600 121.223 -0.022 0.000 1.989 19 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 19 L C 2.426 179.236 176.870 -0.100 0.000 1.071 19 L CA 0.955 55.773 54.840 -0.037 0.000 0.749 19 L CB -0.389 41.721 42.059 0.084 0.000 0.890 19 L HN 0.179 nan 8.230 nan 0.000 0.431 20 L N -0.139 121.068 121.223 -0.026 0.000 2.056 20 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 20 L C 2.319 179.157 176.870 -0.053 0.000 1.078 20 L CA 2.097 56.914 54.840 -0.038 0.000 0.749 20 L CB -1.134 40.976 42.059 0.085 0.000 0.901 20 L HN 0.169 nan 8.230 nan 0.000 0.433 21 G N -2.099 106.675 108.800 -0.043 0.000 2.402 21 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 21 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 21 G C 1.442 176.283 174.900 -0.098 0.000 1.162 21 G CA 1.142 46.213 45.100 -0.047 0.000 0.777 21 G HN 0.417 nan 8.290 nan 0.000 0.539 22 T N 1.625 116.100 114.554 -0.132 0.000 2.737 22 T HA 0.055 4.405 4.350 -0.000 0.000 0.265 22 T C 2.848 177.360 174.700 -0.314 0.000 1.038 22 T CA 1.477 63.467 62.100 -0.183 0.000 1.144 22 T CB -0.398 68.371 68.868 -0.165 0.000 0.866 22 T HN 0.352 nan 8.240 nan 0.000 0.434 23 A N 1.337 123.916 122.820 -0.401 0.000 1.908 23 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 23 A C 2.555 179.731 177.584 -0.680 0.000 1.181 23 A CA 2.203 53.796 52.037 -0.740 0.000 0.627 23 A CB -1.365 17.273 19.000 -0.603 0.000 0.818 23 A HN 0.466 nan 8.150 nan 0.000 0.445 24 T N -0.727 113.622 114.554 -0.343 0.000 2.652 24 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 24 T C 2.086 176.674 174.700 -0.187 0.000 1.039 24 T CA 1.715 63.667 62.100 -0.247 0.000 1.153 24 T CB -0.266 68.668 68.868 0.111 0.000 0.863 24 T HN 0.605 nan 8.240 nan 0.000 0.428 25 R N 0.505 120.928 120.500 -0.128 0.000 2.083 25 R HA -0.046 4.294 4.340 -0.000 0.000 0.237 25 R C 2.385 178.638 176.300 -0.078 0.000 1.137 25 R CA 1.566 57.632 56.100 -0.057 0.000 0.951 25 R CB -0.391 29.864 30.300 -0.075 0.000 0.851 25 R HN 0.411 nan 8.270 nan 0.000 0.434 26 I N -0.069 120.372 120.570 -0.215 0.000 2.277 26 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 26 I C 1.881 177.917 176.117 -0.134 0.000 1.094 26 I CA 0.710 61.888 61.300 -0.203 0.000 1.393 26 I CB -0.327 37.502 38.000 -0.284 0.000 1.078 26 I HN 0.083 nan 8.210 nan 0.000 0.417 27 F N 0.513 120.292 119.950 -0.285 0.000 2.126 27 F HA -0.260 4.267 4.527 -0.000 0.000 0.299 27 F C 2.572 178.234 175.800 -0.229 0.000 1.096 27 F CA 1.233 59.032 58.000 -0.335 0.000 1.255 27 F CB -1.397 37.211 39.000 -0.652 0.000 0.997 27 F HN 0.065 nan 8.300 nan 0.000 0.479 28 Y N 0.536 120.754 120.300 -0.138 0.000 2.145 28 Y HA -0.104 4.445 4.550 -0.000 0.000 0.286 28 Y C 2.353 178.271 175.900 0.029 0.000 1.145 28 Y CA 1.499 59.629 58.100 0.050 0.000 1.148 28 Y CB -0.682 37.896 38.460 0.197 0.000 0.981 28 Y HN -0.035 nan 8.280 nan 0.000 0.507 29 A N -0.296 122.475 122.820 -0.083 0.000 1.929 29 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 29 A C 1.937 179.435 177.584 -0.144 0.000 1.176 29 A CA 1.813 53.757 52.037 -0.155 0.000 0.628 29 A CB -0.339 18.641 19.000 -0.034 0.000 0.816 29 A HN 0.617 nan 8.150 nan 0.000 0.444 30 E N -2.068 118.086 120.200 -0.077 0.000 2.485 30 E HA 0.394 4.744 4.350 -0.000 0.000 0.213 30 E C 0.715 177.305 176.600 -0.016 0.000 0.923 30 E CA 0.225 56.599 56.400 -0.044 0.000 1.054 30 E CB 0.744 30.430 29.700 -0.023 0.000 1.077 30 E HN 0.655 nan 8.360 nan 0.000 0.509 31 G N 0.776 109.580 108.800 0.007 0.000 2.525 31 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.685 31 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.685 31 G C 0.061 175.022 174.900 0.101 0.000 1.290 31 G CA -0.447 44.673 45.100 0.033 0.000 0.915 31 G HN 0.049 nan 8.290 nan 0.000 0.548 32 I N -1.479 119.107 120.570 0.028 0.000 3.393 32 I HA 0.155 4.325 4.170 -0.000 0.000 0.250 32 I C 2.230 178.311 176.117 -0.060 0.000 1.122 32 I CA 0.339 61.559 61.300 -0.134 0.000 1.484 32 I CB -0.262 37.556 38.000 -0.303 0.000 1.468 32 I HN 0.611 nan 8.210 nan 0.000 0.461 33 H N 0.973 120.016 119.070 -0.046 0.000 2.387 33 H HA -0.140 4.416 4.556 0.000 0.000 0.299 33 H C 2.385 177.717 175.328 0.007 0.000 1.099 33 H CA 2.026 58.051 56.048 -0.039 0.000 1.315 33 H CB -0.030 29.667 29.762 -0.109 0.000 1.380 33 H HN 0.313 nan 8.280 nan 0.000 0.513 34 S N -0.035 115.741 115.700 0.126 0.000 2.555 34 S HA 0.019 4.489 4.470 -0.000 0.000 0.230 34 S C 0.641 175.289 174.600 0.080 0.000 0.978 34 S CA -0.006 58.243 58.200 0.082 0.000 0.934 34 S CB -0.083 63.147 63.200 0.050 0.000 0.766 34 S HN 0.007 nan 8.310 nan 0.000 0.533 35 V N 2.076 122.062 119.914 0.121 0.000 2.347 35 V HA 0.686 4.806 4.120 -0.000 0.000 0.280 35 V C 0.827 177.002 176.094 0.135 0.000 1.021 35 V CA -0.421 61.953 62.300 0.123 0.000 0.847 35 V CB 0.774 32.709 31.823 0.185 0.000 0.990 35 V HN 0.438 nan 8.190 nan 0.000 0.444 36 G N 3.125 111.965 108.800 0.067 0.000 2.451 36 G HA2 0.487 4.447 3.960 -0.000 0.000 0.303 36 G HA3 0.487 4.447 3.960 -0.000 0.000 0.303 36 G C 0.946 175.866 174.900 0.035 0.000 1.166 36 G CA -0.561 44.576 45.100 0.063 0.000 0.884 36 G HN 0.891 nan 8.290 nan 0.000 0.514 37 I N -1.645 118.952 120.570 0.045 0.000 2.454 37 I HA -0.057 4.113 4.170 -0.000 0.000 0.254 37 I C 1.316 177.436 176.117 0.005 0.000 1.156 37 I CA 1.093 62.401 61.300 0.012 0.000 1.433 37 I CB -0.105 37.912 38.000 0.028 0.000 1.082 37 I HN 0.194 nan 8.210 nan 0.000 0.432 38 D N 1.516 121.930 120.400 0.023 0.000 2.144 38 D HA -0.190 4.450 4.640 -0.000 0.000 0.199 38 D C 2.254 178.549 176.300 -0.007 0.000 0.984 38 D CA 1.279 55.289 54.000 0.017 0.000 0.834 38 D CB -0.281 40.534 40.800 0.025 0.000 0.955 38 D HN 0.453 nan 8.370 nan 0.000 0.465 39 R N 0.386 120.874 120.500 -0.020 0.000 2.075 39 R HA -0.033 4.307 4.340 -0.000 0.000 0.232 39 R C 2.388 178.642 176.300 -0.077 0.000 1.126 39 R CA 0.712 56.786 56.100 -0.043 0.000 0.963 39 R CB -0.220 30.053 30.300 -0.045 0.000 0.858 39 R HN 0.138 nan 8.270 nan 0.000 0.435 40 I N 0.782 121.286 120.570 -0.110 0.000 2.179 40 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 40 I C 2.500 178.553 176.117 -0.106 0.000 1.088 40 I CA 1.958 63.159 61.300 -0.165 0.000 1.357 40 I CB -0.584 37.269 38.000 -0.246 0.000 1.051 40 I HN 0.412 nan 8.210 nan 0.000 0.409 41 T N -0.577 113.941 114.554 -0.060 0.000 2.746 41 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 41 T C 2.028 176.716 174.700 -0.020 0.000 1.039 41 T CA 1.006 63.092 62.100 -0.024 0.000 1.142 41 T CB -0.602 68.274 68.868 0.013 0.000 0.866 41 T HN 0.344 nan 8.240 nan 0.000 0.444 42 A N 2.195 125.002 122.820 -0.022 0.000 1.883 42 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 42 A C 2.347 179.913 177.584 -0.030 0.000 1.186 42 A CA 1.742 53.767 52.037 -0.019 0.000 0.624 42 A CB -0.735 18.254 19.000 -0.018 0.000 0.822 42 A HN 0.688 nan 8.150 nan 0.000 0.444 43 E N -0.509 119.662 120.200 -0.049 0.000 2.208 43 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 43 E C 1.957 178.524 176.600 -0.055 0.000 0.988 43 E CA 0.698 57.064 56.400 -0.056 0.000 0.828 43 E CB -0.191 29.463 29.700 -0.076 0.000 0.763 43 E HN 0.606 nan 8.360 nan 0.000 0.478 44 A N 0.682 123.467 122.820 -0.058 0.000 2.208 44 A HA -0.080 4.240 4.320 -0.000 0.000 0.209 44 A C 0.571 178.142 177.584 -0.022 0.000 1.161 44 A CA 0.110 52.118 52.037 -0.048 0.000 0.782 44 A CB -0.115 18.853 19.000 -0.055 0.000 0.816 44 A HN 0.204 nan 8.150 nan 0.000 0.477 45 Q N -1.207 118.584 119.800 -0.016 0.000 2.463 45 Q HA -0.148 4.192 4.340 -0.000 0.000 0.299 45 Q C -0.273 175.733 176.000 0.011 0.000 1.353 45 Q CA 0.546 56.347 55.803 -0.003 0.000 0.828 45 Q CB -2.382 26.353 28.738 -0.005 0.000 1.157 45 Q HN 1.111 nan 8.270 nan 0.000 0.436 46 V N -4.142 115.783 119.914 0.018 0.000 3.130 46 V HA 0.861 4.981 4.120 -0.000 0.000 0.310 46 V C 0.430 176.551 176.094 0.045 0.000 1.158 46 V CA -0.316 62.008 62.300 0.041 0.000 1.029 46 V CB 2.137 33.999 31.823 0.065 0.000 1.057 46 V HN 0.302 nan 8.190 nan 0.000 0.436 47 T N -0.911 113.679 114.554 0.059 0.000 2.847 47 T HA 0.406 4.756 4.350 -0.000 0.000 0.279 47 T C 0.974 175.731 174.700 0.095 0.000 0.984 47 T CA 0.224 62.362 62.100 0.064 0.000 0.988 47 T CB 1.328 70.231 68.868 0.059 0.000 1.040 47 T HN 0.958 nan 8.240 nan 0.000 0.528 48 R N 0.339 120.904 120.500 0.108 0.000 2.091 48 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 48 R C 2.517 178.965 176.300 0.247 0.000 1.136 48 R CA 1.567 57.775 56.100 0.181 0.000 0.959 48 R CB -1.021 29.383 30.300 0.173 0.000 0.856 48 R HN 0.843 nan 8.270 nan 0.000 0.437 49 A N -0.328 122.585 122.820 0.156 0.000 1.972 49 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 49 A C 2.109 179.771 177.584 0.131 0.000 1.169 49 A CA 1.933 54.051 52.037 0.135 0.000 0.635 49 A CB -0.652 18.386 19.000 0.063 0.000 0.810 49 A HN 0.429 nan 8.150 nan 0.000 0.446 50 T N 0.036 114.661 114.554 0.117 0.000 2.777 50 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 50 T C 1.858 176.669 174.700 0.184 0.000 1.040 50 T CA 1.247 63.418 62.100 0.117 0.000 1.141 50 T CB -0.388 68.559 68.868 0.131 0.000 0.868 50 T HN 0.431 nan 8.240 nan 0.000 0.444 51 L N -0.184 121.154 121.223 0.192 0.000 1.990 51 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 51 L C 2.143 179.098 176.870 0.140 0.000 1.072 51 L CA 1.789 56.742 54.840 0.187 0.000 0.755 51 L CB -0.374 41.715 42.059 0.051 0.000 0.889 51 L HN 0.282 nan 8.230 nan 0.000 0.432 52 Y N -0.697 119.677 120.300 0.123 0.000 2.509 52 Y HA -0.126 4.424 4.550 -0.000 0.000 0.293 52 Y C 2.643 178.544 175.900 0.001 0.000 1.133 52 Y CA 0.899 59.049 58.100 0.082 0.000 1.283 52 Y CB -0.242 38.250 38.460 0.053 0.000 1.001 52 Y HN 0.187 nan 8.280 nan 0.000 0.555 53 R N -0.199 120.330 120.500 0.049 0.000 2.189 53 R HA -0.133 4.207 4.340 -0.000 0.000 0.223 53 R C 0.952 177.035 176.300 -0.362 0.000 1.092 53 R CA 1.513 57.510 56.100 -0.172 0.000 0.989 53 R CB -0.216 29.922 30.300 -0.271 0.000 0.876 53 R HN 0.433 nan 8.270 nan 0.000 0.457 54 H N -2.036 116.968 119.070 -0.110 0.000 2.681 54 H HA 0.189 4.745 4.556 0.000 0.000 0.268 54 H C -0.242 174.630 175.328 -0.761 0.000 0.967 54 H CA 0.308 56.102 56.048 -0.424 0.000 1.233 54 H CB 0.526 29.992 29.762 -0.493 0.000 1.445 54 H HN -0.048 nan 8.280 nan 0.000 0.494 55 F N 0.169 120.151 119.950 0.053 0.000 2.576 55 F HA 0.168 4.695 4.527 0.000 0.000 0.313 55 F C 1.286 177.055 175.800 -0.052 0.000 1.078 55 F CA -0.835 57.156 58.000 -0.015 0.000 0.921 55 F CB 1.751 40.715 39.000 -0.061 0.000 1.232 55 F HN -0.191 nan 8.300 nan 0.000 0.459 56 S N 0.096 115.896 115.700 0.168 0.000 2.607 56 S HA 0.543 5.013 4.470 -0.000 0.000 0.224 56 S C 0.575 175.277 174.600 0.169 0.000 0.969 56 S CA 0.421 58.721 58.200 0.165 0.000 0.927 56 S CB -0.569 62.708 63.200 0.129 0.000 0.772 56 S HN 1.336 nan 8.310 nan 0.000 0.533 57 G N 0.635 109.424 108.800 -0.019 0.000 2.359 57 G HA2 0.136 4.096 3.960 -0.000 0.000 0.293 57 G HA3 0.136 4.096 3.960 -0.000 0.000 0.293 57 G C -0.074 174.775 174.900 -0.086 0.000 1.300 57 G CA -0.271 44.773 45.100 -0.094 0.000 0.888 57 G HN 0.035 nan 8.290 nan 0.000 0.541 58 K N -0.602 119.776 120.400 -0.037 0.000 2.063 58 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 58 K C 1.816 178.406 176.600 -0.016 0.000 1.048 58 K CA 2.248 58.529 56.287 -0.011 0.000 0.928 58 K CB -0.222 32.303 32.500 0.043 0.000 0.713 58 K HN 0.405 nan 8.250 nan 0.000 0.442 59 D N 0.812 121.216 120.400 0.006 0.000 2.123 59 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 59 D C 1.603 177.892 176.300 -0.018 0.000 0.992 59 D CA 1.329 55.322 54.000 -0.010 0.000 0.833 59 D CB -0.402 40.415 40.800 0.028 0.000 0.954 59 D HN 0.316 nan 8.370 nan 0.000 0.455 60 D N -0.388 120.027 120.400 0.025 0.000 2.144 60 D HA -0.125 4.515 4.640 -0.000 0.000 0.199 60 D C 1.962 178.293 176.300 0.051 0.000 0.984 60 D CA 0.353 54.401 54.000 0.081 0.000 0.834 60 D CB -0.132 40.769 40.800 0.168 0.000 0.955 60 D HN 0.070 nan 8.370 nan 0.000 0.465 61 L N 0.287 121.450 121.223 -0.100 0.000 2.093 61 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 61 L C 2.119 178.949 176.870 -0.067 0.000 1.085 61 L CA 1.332 55.950 54.840 -0.371 0.000 0.755 61 L CB -0.514 41.252 42.059 -0.488 0.000 0.904 61 L HN 0.129 nan 8.230 nan 0.000 0.435 62 I N -1.040 119.524 120.570 -0.011 0.000 2.179 62 I HA -0.337 3.833 4.170 -0.000 0.000 0.242 62 I C 2.339 178.436 176.117 -0.032 0.000 1.088 62 I CA 1.397 62.674 61.300 -0.039 0.000 1.357 62 I CB -0.356 37.463 38.000 -0.302 0.000 1.051 62 I HN 0.234 nan 8.210 nan 0.000 0.409 63 L N 0.365 121.548 121.223 -0.066 0.000 2.083 63 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 63 L C 2.800 179.648 176.870 -0.036 0.000 1.083 63 L CA 1.219 56.020 54.840 -0.066 0.000 0.752 63 L CB -0.718 41.321 42.059 -0.034 0.000 0.899 63 L HN 0.250 nan 8.230 nan 0.000 0.433 64 A N -0.450 122.386 122.820 0.028 0.000 1.930 64 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 64 A C 2.205 179.812 177.584 0.038 0.000 1.175 64 A CA 1.471 53.552 52.037 0.073 0.000 0.627 64 A CB -0.817 18.309 19.000 0.210 0.000 0.815 64 A HN 0.509 nan 8.150 nan 0.000 0.443 65 Y N 0.760 121.015 120.300 -0.076 0.000 2.128 65 Y HA -0.190 4.360 4.550 -0.000 0.000 0.284 65 Y C 1.795 177.561 175.900 -0.223 0.000 1.154 65 Y CA 1.874 59.914 58.100 -0.099 0.000 1.149 65 Y CB -0.638 37.826 38.460 0.007 0.000 0.976 65 Y HN 0.187 nan 8.280 nan 0.000 0.505 66 L N 0.259 121.039 121.223 -0.738 0.000 2.141 66 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 66 L C 2.252 178.872 176.870 -0.417 0.000 1.094 66 L CA 1.780 56.090 54.840 -0.883 0.000 0.763 66 L CB -0.689 41.004 42.059 -0.611 0.000 0.908 66 L HN 0.290 nan 8.230 nan 0.000 0.437 67 D N -0.698 119.574 120.400 -0.214 0.000 2.117 67 D HA -0.219 4.421 4.640 -0.000 0.000 0.197 67 D C 2.226 178.456 176.300 -0.116 0.000 0.987 67 D CA 1.060 54.998 54.000 -0.102 0.000 0.829 67 D CB 0.186 40.959 40.800 -0.044 0.000 0.961 67 D HN 0.124 nan 8.370 nan 0.000 0.460 68 Q N -0.189 119.531 119.800 -0.133 0.000 2.224 68 Q HA -0.004 4.336 4.340 -0.000 0.000 0.203 68 Q C 2.127 178.030 176.000 -0.162 0.000 0.970 68 Q CA 1.140 56.892 55.803 -0.085 0.000 0.865 68 Q CB -0.295 28.444 28.738 0.002 0.000 0.922 68 Q HN 0.445 nan 8.270 nan 0.000 0.445 69 A N 1.055 123.592 122.820 -0.471 0.000 1.872 69 A HA -0.192 4.128 4.320 -0.000 0.000 0.214 69 A C 1.904 179.333 177.584 -0.259 0.000 1.187 69 A CA 1.699 53.263 52.037 -0.788 0.000 0.614 69 A CB -0.592 17.447 19.000 -1.602 0.000 0.826 69 A HN 0.344 nan 8.150 nan 0.000 0.442 70 D N -0.365 119.987 120.400 -0.081 0.000 2.106 70 D HA -0.190 4.450 4.640 -0.000 0.000 0.191 70 D C 2.177 178.442 176.300 -0.057 0.000 0.997 70 D CA 1.649 55.669 54.000 0.034 0.000 0.834 70 D CB -0.150 40.679 40.800 0.048 0.000 0.956 70 D HN 0.388 nan 8.370 nan 0.000 0.448 71 R N -0.336 120.119 120.500 -0.075 0.000 2.081 71 R HA -0.011 4.329 4.340 -0.000 0.000 0.235 71 R C 2.507 178.789 176.300 -0.031 0.000 1.131 71 R CA 1.194 57.249 56.100 -0.075 0.000 0.960 71 R CB -0.680 29.590 30.300 -0.051 0.000 0.856 71 R HN 0.284 nan 8.270 nan 0.000 0.436 72 G N 1.463 110.271 108.800 0.013 0.000 2.404 72 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 72 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 72 G C 1.518 176.481 174.900 0.105 0.000 1.174 72 G CA 0.433 45.574 45.100 0.069 0.000 0.780 72 G HN 0.141 nan 8.290 nan 0.000 0.537 73 I N 0.176 120.829 120.570 0.139 0.000 2.226 73 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 73 I C 3.039 179.293 176.117 0.229 0.000 1.100 73 I CA 0.979 62.431 61.300 0.253 0.000 1.374 73 I CB -0.174 38.065 38.000 0.398 0.000 1.057 73 I HN 0.061 nan 8.210 nan 0.000 0.413 74 R N 0.650 121.144 120.500 -0.011 0.000 2.091 74 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 74 R C 2.461 178.810 176.300 0.081 0.000 1.136 74 R CA 1.577 57.587 56.100 -0.149 0.000 0.959 74 R CB -0.543 29.446 30.300 -0.518 0.000 0.856 74 R HN 0.387 nan 8.270 nan 0.000 0.437 75 A N 1.007 123.859 122.820 0.052 0.000 1.902 75 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 75 A C 2.064 179.720 177.584 0.120 0.000 1.181 75 A CA 1.347 53.428 52.037 0.074 0.000 0.623 75 A CB -0.428 18.600 19.000 0.047 0.000 0.818 75 A HN 0.343 nan 8.150 nan 0.000 0.443 76 Q N -0.613 119.276 119.800 0.148 0.000 2.050 76 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 76 Q C 2.166 178.288 176.000 0.204 0.000 0.980 76 Q CA 1.767 57.670 55.803 0.167 0.000 0.840 76 Q CB -0.357 28.495 28.738 0.189 0.000 0.898 76 Q HN 0.485 nan 8.270 nan 0.000 0.424 77 V N 0.432 120.522 119.914 0.292 0.000 2.343 77 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 77 V C 2.165 178.407 176.094 0.246 0.000 1.051 77 V CA 2.101 64.597 62.300 0.327 0.000 1.036 77 V CB -0.759 31.383 31.823 0.531 0.000 0.654 77 V HN 0.444 nan 8.190 nan 0.000 0.451 78 T N 0.439 115.138 114.554 0.241 0.000 2.746 78 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 78 T C 2.063 176.834 174.700 0.118 0.000 1.039 78 T CA 1.648 63.850 62.100 0.169 0.000 1.142 78 T CB -0.411 68.546 68.868 0.148 0.000 0.866 78 T HN 0.573 nan 8.240 nan 0.000 0.444 79 A N 1.371 124.258 122.820 0.112 0.000 1.933 79 A HA 0.164 4.484 4.320 -0.000 0.000 0.218 79 A C 2.638 180.271 177.584 0.083 0.000 1.175 79 A CA 1.795 53.884 52.037 0.086 0.000 0.628 79 A CB -1.059 17.989 19.000 0.079 0.000 0.814 79 A HN 0.504 nan 8.150 nan 0.000 0.444 80 A N -0.019 122.862 122.820 0.103 0.000 1.902 80 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 80 A C 2.244 179.871 177.584 0.071 0.000 1.181 80 A CA 1.550 53.642 52.037 0.092 0.000 0.623 80 A CB -0.493 18.578 19.000 0.118 0.000 0.818 80 A HN 0.559 nan 8.150 nan 0.000 0.443 81 R N -1.017 119.528 120.500 0.075 0.000 2.081 81 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 81 R C 2.261 178.586 176.300 0.042 0.000 1.131 81 R CA 1.158 57.288 56.100 0.051 0.000 0.960 81 R CB -0.640 29.692 30.300 0.053 0.000 0.856 81 R HN 0.529 nan 8.270 nan 0.000 0.436 82 G N 0.413 109.243 108.800 0.050 0.000 2.559 82 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 82 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 82 G C 1.370 176.291 174.900 0.033 0.000 1.126 82 G CA 0.775 45.899 45.100 0.040 0.000 0.778 82 G HN 0.435 nan 8.290 nan 0.000 0.543 83 S N -1.335 114.387 115.700 0.036 0.000 2.527 83 S HA 0.276 4.746 4.470 -0.000 0.000 0.222 83 S C 0.868 175.482 174.600 0.023 0.000 0.985 83 S CA 0.547 58.766 58.200 0.032 0.000 0.921 83 S CB 0.181 63.404 63.200 0.038 0.000 0.772 83 S HN 0.230 nan 8.310 nan 0.000 0.529 84 S N 1.273 116.985 115.700 0.020 0.000 2.540 84 S HA 0.570 5.040 4.470 -0.000 0.000 0.275 84 S C -2.551 172.055 174.600 0.009 0.000 1.123 84 S CA -1.377 56.831 58.200 0.013 0.000 0.907 84 S CB 2.012 65.218 63.200 0.009 0.000 1.081 84 S HN 0.052 nan 8.310 nan 0.000 0.476 85 P HA 0.214 nan 4.420 nan 0.000 0.236 85 P C 0.096 177.395 177.300 -0.001 0.000 1.177 85 P CA 0.211 63.313 63.100 0.003 0.000 0.773 85 P CB 0.040 31.742 31.700 0.003 0.000 0.878 86 A N -0.109 122.709 122.820 -0.004 0.000 2.305 86 A HA 0.620 4.939 4.320 -0.000 0.000 0.322 86 A C 1.589 179.164 177.584 -0.014 0.000 1.187 86 A CA -0.008 52.023 52.037 -0.010 0.000 0.825 86 A CB 0.981 19.975 19.000 -0.011 0.000 1.164 86 A HN 0.055 nan 8.150 nan 0.000 0.498 87 A N 1.791 124.599 122.820 -0.020 0.000 1.908 87 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 87 A C 1.640 179.204 177.584 -0.034 0.000 1.181 87 A CA 2.222 54.242 52.037 -0.028 0.000 0.627 87 A CB -0.608 18.372 19.000 -0.034 0.000 0.818 87 A HN 0.900 nan 8.150 nan 0.000 0.445 88 D N -0.505 119.874 120.400 -0.034 0.000 2.144 88 D HA -0.038 4.602 4.640 -0.000 0.000 0.200 88 D C 1.868 178.149 176.300 -0.032 0.000 0.978 88 D CA 1.414 55.390 54.000 -0.040 0.000 0.833 88 D CB -1.358 39.417 40.800 -0.041 0.000 0.961 88 D HN 0.322 nan 8.370 nan 0.000 0.470 89 G N 0.316 109.103 108.800 -0.021 0.000 2.442 89 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 89 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 89 G C 1.687 176.584 174.900 -0.004 0.000 1.141 89 G CA 0.796 45.889 45.100 -0.011 0.000 0.763 89 G HN 0.359 nan 8.290 nan 0.000 0.554 90 Q N -0.248 119.548 119.800 -0.006 0.000 2.079 90 Q HA -0.033 4.307 4.340 -0.000 0.000 0.200 90 Q C 2.860 178.860 176.000 0.001 0.000 0.974 90 Q CA 1.219 57.024 55.803 0.002 0.000 0.840 90 Q CB -0.247 28.488 28.738 -0.003 0.000 0.898 90 Q HN 0.383 nan 8.270 nan 0.000 0.430 91 V N 1.219 121.119 119.914 -0.023 0.000 2.287 91 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 91 V C 2.209 178.296 176.094 -0.013 0.000 1.053 91 V CA 1.948 64.229 62.300 -0.032 0.000 1.027 91 V CB -0.558 31.226 31.823 -0.065 0.000 0.646 91 V HN 0.310 nan 8.190 nan 0.000 0.447 92 R N 0.013 120.501 120.500 -0.020 0.000 2.096 92 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 92 R C 2.413 178.728 176.300 0.025 0.000 1.127 92 R CA 1.479 57.570 56.100 -0.014 0.000 0.968 92 R CB -0.570 29.718 30.300 -0.021 0.000 0.861 92 R HN 0.554 nan 8.270 nan 0.000 0.440 93 A N 0.598 123.439 122.820 0.035 0.000 1.930 93 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 93 A C 2.336 179.976 177.584 0.093 0.000 1.175 93 A CA 1.109 53.181 52.037 0.057 0.000 0.627 93 A CB -0.392 18.639 19.000 0.051 0.000 0.815 93 A HN 0.103 nan 8.150 nan 0.000 0.443 94 V N -0.026 119.950 119.914 0.104 0.000 2.343 94 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 94 V C 3.058 179.281 176.094 0.216 0.000 1.051 94 V CA 1.999 64.400 62.300 0.168 0.000 1.036 94 V CB -1.227 30.696 31.823 0.167 0.000 0.654 94 V HN 0.609 nan 8.190 nan 0.000 0.451 95 A N -0.288 122.648 122.820 0.193 0.000 1.902 95 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 95 A C 2.344 180.088 177.584 0.266 0.000 1.181 95 A CA 1.411 53.625 52.037 0.295 0.000 0.623 95 A CB -0.444 18.594 19.000 0.063 0.000 0.818 95 A HN 0.390 nan 8.150 nan 0.000 0.443 96 R N 0.562 121.150 120.500 0.148 0.000 2.096 96 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 96 R C 2.623 178.988 176.300 0.108 0.000 1.127 96 R CA 1.730 57.898 56.100 0.112 0.000 0.968 96 R CB -1.193 29.151 30.300 0.073 0.000 0.861 96 R HN 0.756 nan 8.270 nan 0.000 0.440 97 S N 0.608 116.382 115.700 0.122 0.000 2.382 97 S HA -0.095 4.375 4.470 -0.000 0.000 0.228 97 S C 2.202 176.863 174.600 0.101 0.000 1.027 97 S CA 0.965 59.236 58.200 0.118 0.000 0.991 97 S CB -0.492 62.797 63.200 0.148 0.000 0.823 97 S HN 0.219 nan 8.310 nan 0.000 0.469 98 I N 2.291 122.926 120.570 0.109 0.000 2.179 98 I HA -0.156 4.014 4.170 -0.000 0.000 0.242 98 I C 2.720 178.766 176.117 -0.117 0.000 1.088 98 I CA 1.528 62.821 61.300 -0.011 0.000 1.357 98 I CB -0.565 37.416 38.000 -0.032 0.000 1.051 98 I HN 0.397 nan 8.210 nan 0.000 0.409 99 V N -1.818 118.086 119.914 -0.015 0.000 2.667 99 V HA -0.213 3.907 4.120 -0.000 0.000 0.252 99 V C 1.971 178.015 176.094 -0.084 0.000 1.065 99 V CA 2.022 64.286 62.300 -0.060 0.000 1.083 99 V CB -0.781 31.087 31.823 0.074 0.000 0.692 99 V HN 0.382 nan 8.190 nan 0.000 0.468 100 D N 1.840 122.224 120.400 -0.027 0.000 2.104 100 D HA -0.072 4.568 4.640 -0.000 0.000 0.194 100 D C 2.187 178.455 176.300 -0.052 0.000 0.994 100 D CA 2.061 56.051 54.000 -0.017 0.000 0.830 100 D CB -0.633 40.183 40.800 0.026 0.000 0.959 100 D HN 0.456 nan 8.370 nan 0.000 0.452 101 G N 0.357 109.117 108.800 -0.067 0.000 2.421 101 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 101 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 101 G C 1.836 176.481 174.900 -0.424 0.000 1.171 101 G CA 0.771 45.832 45.100 -0.064 0.000 0.775 101 G HN 0.380 nan 8.290 nan 0.000 0.543 102 I N 0.207 120.299 120.570 -0.797 0.000 2.264 102 I HA -0.159 4.011 4.170 -0.000 0.000 0.248 102 I C 2.668 178.424 176.117 -0.603 0.000 1.111 102 I CA 1.060 61.568 61.300 -1.320 0.000 1.382 102 I CB -0.072 37.442 38.000 -0.811 0.000 1.060 102 I HN 0.095 nan 8.210 nan 0.000 0.418 103 R N 0.464 120.797 120.500 -0.278 0.000 2.334 103 R HA 0.090 4.430 4.340 -0.000 0.000 0.220 103 R C 0.720 177.003 176.300 -0.029 0.000 0.917 103 R CA -0.012 56.025 56.100 -0.106 0.000 1.073 103 R CB 0.036 30.298 30.300 -0.065 0.000 1.056 103 R HN 0.349 nan 8.270 nan 0.000 0.506 104 S N 1.243 116.938 115.700 -0.007 0.000 2.584 104 S HA 0.329 4.799 4.470 -0.000 0.000 0.273 104 S C -2.424 172.243 174.600 0.111 0.000 1.311 104 S CA -1.595 56.640 58.200 0.058 0.000 1.034 104 S CB 1.199 64.445 63.200 0.077 0.000 0.939 104 S HN -0.146 nan 8.310 nan 0.000 0.513 105 P HA 0.280 nan 4.420 nan 0.000 0.264 105 P C 1.013 178.384 177.300 0.119 0.000 1.193 105 P CA 1.084 64.235 63.100 0.085 0.000 0.763 105 P CB 0.144 31.872 31.700 0.048 0.000 0.810 106 G N 2.170 111.051 108.800 0.136 0.000 2.159 106 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.256 106 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.256 106 G C 0.061 175.120 174.900 0.266 0.000 0.977 106 G CA -0.493 44.700 45.100 0.155 0.000 0.652 106 G HN 0.538 nan 8.290 nan 0.000 0.531 107 F N 1.393 121.438 119.950 0.157 0.000 2.607 107 F HA 0.566 5.093 4.527 -0.000 0.000 0.374 107 F C 1.142 177.049 175.800 0.178 0.000 1.104 107 F CA -0.124 58.012 58.000 0.226 0.000 1.296 107 F CB 0.645 39.716 39.000 0.119 0.000 1.085 107 F HN 0.015 nan 8.300 nan 0.000 0.584 108 R N 4.000 124.116 120.500 -0.639 0.000 2.569 108 R HA 0.293 4.633 4.340 -0.000 0.000 0.429 108 R C 0.020 175.826 176.300 -0.824 0.000 0.994 108 R CA 0.406 56.107 56.100 -0.666 0.000 1.089 108 R CB 0.057 29.956 30.300 -0.668 0.000 1.420 108 R HN 1.081 nan 8.270 nan 0.000 0.615 109 G N 0.418 108.405 108.800 -1.355 0.000 2.698 109 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.225 109 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.225 109 G C -0.355 174.405 174.900 -0.233 0.000 1.345 109 G CA -0.309 44.414 45.100 -0.629 0.000 0.871 109 G HN 0.380 nan 8.290 nan 0.000 0.540 110 C N 1.393 120.702 119.300 0.015 0.000 2.576 110 C HA 0.646 5.105 4.460 -0.000 0.000 0.401 110 C C 2.272 177.411 174.990 0.248 0.000 1.314 110 C CA 0.689 59.819 59.018 0.186 0.000 1.855 110 C CB -0.270 27.563 27.740 0.154 0.000 2.537 110 C HN 2.089 nan 8.230 nan 0.000 0.578 111 A N 4.648 127.695 122.820 0.377 0.000 1.940 111 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 111 A C 1.596 179.037 177.584 -0.239 0.000 1.176 111 A CA 1.751 53.831 52.037 0.072 0.000 0.631 111 A CB -0.544 18.235 19.000 -0.369 0.000 0.814 111 A HN 0.901 nan 8.150 nan 0.000 0.446 112 F N -0.401 119.530 119.950 -0.032 0.000 2.187 112 F HA 0.045 4.572 4.527 -0.000 0.000 0.295 112 F C 2.102 177.886 175.800 -0.027 0.000 1.091 112 F CA 0.928 58.878 58.000 -0.082 0.000 1.308 112 F CB -0.479 38.451 39.000 -0.116 0.000 1.030 112 F HN 0.062 nan 8.300 nan 0.000 0.487 113 L N -0.060 121.267 121.223 0.173 0.000 2.083 113 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 113 L C 2.125 179.028 176.870 0.054 0.000 1.083 113 L CA 1.036 55.934 54.840 0.096 0.000 0.752 113 L CB -0.681 41.428 42.059 0.083 0.000 0.899 113 L HN 0.153 nan 8.230 nan 0.000 0.433 114 N N 0.332 119.055 118.700 0.038 0.000 2.166 114 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 114 N C 1.870 177.402 175.510 0.036 0.000 1.019 114 N CA 1.529 54.587 53.050 0.012 0.000 0.856 114 N CB -0.287 38.185 38.487 -0.024 0.000 0.993 114 N HN 0.310 nan 8.380 nan 0.000 0.426 115 A N 0.470 123.311 122.820 0.036 0.000 1.898 115 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 115 A C 2.413 180.087 177.584 0.149 0.000 1.181 115 A CA 1.104 53.188 52.037 0.078 0.000 0.620 115 A CB -0.863 18.116 19.000 -0.036 0.000 0.819 115 A HN 0.140 nan 8.150 nan 0.000 0.442 116 V N -0.148 119.814 119.914 0.080 0.000 2.626 116 V HA -0.118 4.002 4.120 -0.000 0.000 0.252 116 V C 2.773 178.914 176.094 0.079 0.000 1.067 116 V CA 1.707 64.042 62.300 0.058 0.000 1.081 116 V CB -0.621 31.155 31.823 -0.079 0.000 0.686 116 V HN 0.596 nan 8.190 nan 0.000 0.468 117 A N -0.593 122.260 122.820 0.055 0.000 1.978 117 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 117 A C 2.052 179.636 177.584 -0.000 0.000 1.170 117 A CA 2.035 54.089 52.037 0.028 0.000 0.636 117 A CB -0.346 18.661 19.000 0.011 0.000 0.810 117 A HN 0.697 nan 8.150 nan 0.000 0.448 118 E N -2.592 117.614 120.200 0.010 0.000 2.452 118 E HA 0.052 4.402 4.350 -0.000 0.000 0.197 118 E C -0.715 175.675 176.600 -0.351 0.000 1.022 118 E CA 0.142 56.462 56.400 -0.132 0.000 0.890 118 E CB 0.212 29.886 29.700 -0.044 0.000 0.918 118 E HN 0.744 nan 8.360 nan 0.000 0.496 119 Y N 0.666 120.975 120.300 0.014 0.000 2.658 119 Y HA 0.197 4.747 4.550 0.000 0.000 0.362 119 Y C -1.855 174.131 175.900 0.143 0.000 1.017 119 Y CA -1.956 56.130 58.100 -0.024 0.000 1.134 119 Y CB 1.172 39.540 38.460 -0.154 0.000 1.144 119 Y HN 0.033 nan 8.280 nan 0.000 0.655 120 P HA -0.032 nan 4.420 nan 0.000 0.231 120 P C -0.365 176.993 177.300 0.096 0.000 1.168 120 P CA 0.660 63.897 63.100 0.229 0.000 0.779 120 P CB 0.489 32.240 31.700 0.086 0.000 0.844 121 D N 1.761 122.195 120.400 0.056 0.000 2.382 121 D HA 0.057 4.697 4.640 -0.000 0.000 0.259 121 D C -1.483 174.653 176.300 -0.273 0.000 1.224 121 D CA -1.367 52.604 54.000 -0.047 0.000 0.894 121 D CB 0.785 41.626 40.800 0.068 0.000 1.127 121 D HN 0.104 nan 8.370 nan 0.000 0.487 122 P HA -0.127 nan 4.420 nan 0.000 0.219 122 P C 0.847 178.023 177.300 -0.207 0.000 1.146 122 P CA 1.024 63.691 63.100 -0.721 0.000 0.808 122 P CB 0.339 31.843 31.700 -0.327 0.000 0.779 123 A N -2.120 120.660 122.820 -0.066 0.000 2.218 123 A HA -0.054 4.266 4.320 -0.000 0.000 0.209 123 A C 1.058 178.682 177.584 0.066 0.000 1.168 123 A CA 0.047 52.093 52.037 0.015 0.000 0.804 123 A CB -1.206 17.797 19.000 0.004 0.000 0.834 123 A HN 0.165 nan 8.150 nan 0.000 0.482 124 H N 0.772 119.870 119.070 0.046 0.000 2.928 124 H HA 0.075 4.631 4.556 0.000 0.000 0.338 124 H C -1.754 173.619 175.328 0.074 0.000 1.047 124 H CA -1.161 54.940 56.048 0.089 0.000 1.435 124 H CB 1.149 31.017 29.762 0.177 0.000 1.428 124 H HN 0.020 nan 8.280 nan 0.000 0.590 125 P HA -0.191 nan 4.420 nan 0.000 0.216 125 P C 1.715 179.070 177.300 0.092 0.000 1.150 125 P CA 0.845 63.922 63.100 -0.039 0.000 0.843 125 P CB 0.300 31.907 31.700 -0.154 0.000 0.787 126 V N -0.865 119.195 119.914 0.243 0.000 2.343 126 V HA -0.266 3.853 4.120 -0.000 0.000 0.247 126 V C 2.495 178.656 176.094 0.111 0.000 1.051 126 V CA 1.836 64.143 62.300 0.011 0.000 1.036 126 V CB -1.323 30.220 31.823 -0.467 0.000 0.654 126 V HN 0.265 nan 8.190 nan 0.000 0.451 127 H N 0.780 119.935 119.070 0.142 0.000 2.353 127 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 127 H C 2.589 177.981 175.328 0.107 0.000 1.090 127 H CA 1.923 58.053 56.048 0.137 0.000 1.327 127 H CB 0.121 29.981 29.762 0.163 0.000 1.383 127 H HN 0.351 nan 8.280 nan 0.000 0.508 128 R N 0.051 120.708 120.500 0.262 0.000 2.096 128 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 128 R C 2.559 178.922 176.300 0.104 0.000 1.127 128 R CA 1.005 57.205 56.100 0.165 0.000 0.968 128 R CB -0.261 30.104 30.300 0.107 0.000 0.861 128 R HN 0.256 nan 8.270 nan 0.000 0.440 129 A N 0.819 123.693 122.820 0.090 0.000 1.902 129 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 129 A C 2.390 180.025 177.584 0.086 0.000 1.181 129 A CA 1.324 53.408 52.037 0.079 0.000 0.623 129 A CB -0.518 18.527 19.000 0.076 0.000 0.818 129 A HN 0.107 nan 8.150 nan 0.000 0.443 130 V N 0.234 120.214 119.914 0.109 0.000 2.295 130 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 130 V C 2.579 178.674 176.094 0.002 0.000 1.049 130 V CA 2.054 64.407 62.300 0.089 0.000 1.024 130 V CB -0.762 31.086 31.823 0.041 0.000 0.648 130 V HN 0.580 nan 8.190 nan 0.000 0.447 131 L N -0.091 121.146 121.223 0.023 0.000 2.083 131 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 131 L C 2.713 179.612 176.870 0.048 0.000 1.083 131 L CA 1.495 56.364 54.840 0.048 0.000 0.752 131 L CB -0.824 41.296 42.059 0.102 0.000 0.899 131 L HN 0.373 nan 8.230 nan 0.000 0.433 132 A N -0.435 122.412 122.820 0.046 0.000 1.898 132 A HA -0.285 4.035 4.320 -0.000 0.000 0.216 132 A C 2.114 179.725 177.584 0.044 0.000 1.181 132 A CA 1.884 53.949 52.037 0.046 0.000 0.620 132 A CB -0.807 18.215 19.000 0.037 0.000 0.819 132 A HN 0.522 nan 8.150 nan 0.000 0.442 133 H N -0.367 118.619 119.070 -0.140 0.000 2.321 133 H HA -0.049 4.507 4.556 -0.000 0.000 0.300 133 H C 2.270 177.612 175.328 0.023 0.000 1.087 133 H CA 2.041 57.963 56.048 -0.210 0.000 1.319 133 H CB -0.081 29.137 29.762 -0.907 0.000 1.379 133 H HN 0.413 nan 8.280 nan 0.000 0.501 134 R N -0.376 120.126 120.500 0.004 0.000 2.091 134 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 134 R C 2.433 178.770 176.300 0.062 0.000 1.136 134 R CA 1.590 57.729 56.100 0.066 0.000 0.959 134 R CB -0.191 30.156 30.300 0.078 0.000 0.856 134 R HN 0.371 nan 8.270 nan 0.000 0.437 135 Q N 0.020 119.852 119.800 0.053 0.000 2.119 135 Q HA -0.189 4.151 4.340 -0.000 0.000 0.201 135 Q C 1.641 177.653 176.000 0.020 0.000 0.972 135 Q CA 1.620 57.444 55.803 0.036 0.000 0.847 135 Q CB -0.339 28.426 28.738 0.045 0.000 0.903 135 Q HN 0.473 nan 8.270 nan 0.000 0.433 136 W N -0.238 121.003 121.300 -0.099 0.000 2.335 136 W HA -0.245 4.415 4.660 0.000 0.000 0.311 136 W C 1.657 178.126 176.519 -0.083 0.000 1.213 136 W CA 1.701 58.983 57.345 -0.105 0.000 1.274 136 W CB -0.737 28.636 29.460 -0.145 0.000 1.148 136 W HN 0.231 nan 8.180 nan 0.000 0.498 137 F N 0.840 120.424 119.950 -0.611 0.000 2.113 137 F HA -0.168 4.359 4.527 -0.000 0.000 0.297 137 F C 2.214 177.694 175.800 -0.532 0.000 1.103 137 F CA 2.081 59.553 58.000 -0.881 0.000 1.248 137 F CB -1.168 37.574 39.000 -0.430 0.000 0.999 137 F HN -0.024 nan 8.300 nan 0.000 0.475 138 L N 0.718 121.751 121.223 -0.316 0.000 2.012 138 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 138 L C 1.962 178.625 176.870 -0.346 0.000 1.073 138 L CA 2.183 56.846 54.840 -0.296 0.000 0.748 138 L CB -1.203 40.793 42.059 -0.104 0.000 0.891 138 L HN 0.052 nan 8.230 nan 0.000 0.431 139 D N -1.053 119.163 120.400 -0.307 0.000 2.123 139 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 139 D C 2.075 178.168 176.300 -0.345 0.000 0.992 139 D CA 1.849 55.694 54.000 -0.259 0.000 0.833 139 D CB -0.311 40.384 40.800 -0.175 0.000 0.954 139 D HN 0.404 nan 8.370 nan 0.000 0.455 140 T N 0.600 114.814 114.554 -0.566 0.000 2.701 140 T HA -0.117 4.233 4.350 -0.000 0.000 0.263 140 T C 2.250 176.667 174.700 -0.473 0.000 1.040 140 T CA 1.837 63.601 62.100 -0.560 0.000 1.147 140 T CB -0.353 67.989 68.868 -0.876 0.000 0.865 140 T HN 0.173 nan 8.240 nan 0.000 0.426 141 V N 0.266 119.803 119.914 -0.630 0.000 2.548 141 V HA -0.101 4.019 4.120 -0.000 0.000 0.249 141 V C 2.334 178.249 176.094 -0.299 0.000 1.055 141 V CA 1.846 63.856 62.300 -0.483 0.000 1.065 141 V CB -1.677 29.773 31.823 -0.621 0.000 0.681 141 V HN 0.362 nan 8.190 nan 0.000 0.462 142 T N 0.830 115.220 114.554 -0.274 0.000 2.684 142 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 142 T C 1.821 176.434 174.700 -0.144 0.000 1.036 142 T CA 2.290 64.285 62.100 -0.175 0.000 1.148 142 T CB -0.312 68.467 68.868 -0.149 0.000 0.863 142 T HN 0.707 nan 8.240 nan 0.000 0.436 143 E N 1.082 121.188 120.200 -0.158 0.000 2.077 143 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 143 E C 2.054 178.591 176.600 -0.105 0.000 0.989 143 E CA 1.025 57.355 56.400 -0.116 0.000 0.800 143 E CB -0.603 29.030 29.700 -0.113 0.000 0.746 143 E HN 0.459 nan 8.360 nan 0.000 0.452 144 L N -0.106 121.039 121.223 -0.130 0.000 2.012 144 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 144 L C 2.561 179.376 176.870 -0.091 0.000 1.073 144 L CA 1.198 55.975 54.840 -0.105 0.000 0.748 144 L CB -0.459 41.527 42.059 -0.121 0.000 0.891 144 L HN 0.226 nan 8.230 nan 0.000 0.431 145 L N -0.569 120.591 121.223 -0.105 0.000 2.141 145 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 145 L C 2.758 179.587 176.870 -0.068 0.000 1.094 145 L CA 0.815 55.602 54.840 -0.087 0.000 0.763 145 L CB -0.634 41.368 42.059 -0.094 0.000 0.908 145 L HN 0.220 nan 8.230 nan 0.000 0.437 146 A N -0.525 122.254 122.820 -0.068 0.000 2.070 146 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 146 A C 2.115 179.672 177.584 -0.045 0.000 1.159 146 A CA 1.374 53.379 52.037 -0.053 0.000 0.656 146 A CB -0.292 18.676 19.000 -0.053 0.000 0.800 146 A HN 0.530 nan 8.150 nan 0.000 0.453 147 Q N -1.097 118.674 119.800 -0.048 0.000 2.356 147 Q HA 0.131 4.471 4.340 -0.000 0.000 0.205 147 Q C 1.508 177.486 176.000 -0.038 0.000 0.901 147 Q CA 0.405 56.184 55.803 -0.039 0.000 0.938 147 Q CB 0.396 29.111 28.738 -0.038 0.000 1.081 147 Q HN 0.486 nan 8.270 nan 0.000 0.517 148 V N -0.456 119.432 119.914 -0.044 0.000 2.725 148 V HA 0.088 4.208 4.120 -0.000 0.000 0.247 148 V C 1.013 177.085 176.094 -0.037 0.000 1.058 148 V CA 1.312 63.586 62.300 -0.043 0.000 1.080 148 V CB 0.387 32.178 31.823 -0.052 0.000 0.713 148 V HN 0.335 nan 8.190 nan 0.000 0.465 149 G N -1.480 107.298 108.800 -0.037 0.000 3.015 149 G HA2 0.373 4.333 3.960 -0.000 0.000 0.281 149 G HA3 0.373 4.333 3.960 -0.000 0.000 0.281 149 G C -0.427 174.457 174.900 -0.027 0.000 1.386 149 G CA -0.110 44.971 45.100 -0.031 0.000 0.959 149 G HN 0.019 nan 8.290 nan 0.000 0.522 150 D N -0.306 120.080 120.400 -0.023 0.000 2.234 150 D HA 0.065 4.705 4.640 -0.000 0.000 0.205 150 D C 1.727 178.014 176.300 -0.021 0.000 0.962 150 D CA 0.881 54.869 54.000 -0.020 0.000 0.855 150 D CB -0.049 40.741 40.800 -0.017 0.000 0.951 150 D HN 0.420 nan 8.370 nan 0.000 0.500 151 G N 1.040 109.826 108.800 -0.022 0.000 2.621 151 G HA2 0.103 4.063 3.960 -0.000 0.000 0.271 151 G HA3 0.103 4.063 3.960 -0.000 0.000 0.271 151 G C 0.518 175.402 174.900 -0.026 0.000 1.236 151 G CA -0.158 44.928 45.100 -0.022 0.000 0.958 151 G HN 0.016 nan 8.290 nan 0.000 0.512 152 D N -2.278 118.106 120.400 -0.026 0.000 2.349 152 D HA 0.151 4.791 4.640 -0.000 0.000 0.224 152 D C 1.701 177.978 176.300 -0.039 0.000 1.029 152 D CA 0.753 54.735 54.000 -0.030 0.000 0.879 152 D CB -0.252 40.532 40.800 -0.026 0.000 0.906 152 D HN 1.025 nan 8.370 nan 0.000 0.528 153 G N -0.258 108.518 108.800 -0.039 0.000 2.189 153 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.267 153 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.267 153 G C 1.133 176.005 174.900 -0.048 0.000 0.975 153 G CA 0.570 45.641 45.100 -0.049 0.000 0.644 153 G HN 0.359 nan 8.290 nan 0.000 0.537 154 V N 0.722 120.614 119.914 -0.038 0.000 2.270 154 V HA 0.008 4.128 4.120 -0.000 0.000 0.245 154 V C 3.222 179.303 176.094 -0.022 0.000 1.043 154 V CA 3.010 65.289 62.300 -0.035 0.000 1.014 154 V CB -1.059 30.747 31.823 -0.028 0.000 0.645 154 V HN 0.870 nan 8.190 nan 0.000 0.447 155 A N -0.081 122.733 122.820 -0.011 0.000 1.902 155 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 155 A C 2.393 179.998 177.584 0.035 0.000 1.181 155 A CA 2.070 54.109 52.037 0.005 0.000 0.623 155 A CB -0.796 18.205 19.000 0.002 0.000 0.818 155 A HN 0.570 nan 8.150 nan 0.000 0.443 156 A N -0.482 122.352 122.820 0.022 0.000 1.933 156 A HA 0.146 4.466 4.320 -0.000 0.000 0.218 156 A C 2.388 179.977 177.584 0.008 0.000 1.175 156 A CA 1.852 53.906 52.037 0.030 0.000 0.628 156 A CB -1.329 17.660 19.000 -0.019 0.000 0.814 156 A HN 0.706 nan 8.150 nan 0.000 0.444 157 G N -0.399 108.382 108.800 -0.032 0.000 2.418 157 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 157 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 157 G C 1.745 176.631 174.900 -0.024 0.000 1.158 157 G CA 0.827 45.884 45.100 -0.072 0.000 0.771 157 G HN 0.560 nan 8.290 nan 0.000 0.545 158 R N -0.840 119.667 120.500 0.012 0.000 2.115 158 R HA -0.063 4.277 4.340 -0.000 0.000 0.230 158 R C 2.314 178.682 176.300 0.113 0.000 1.111 158 R CA 1.130 57.256 56.100 0.043 0.000 0.976 158 R CB -0.427 29.889 30.300 0.025 0.000 0.870 158 R HN 0.394 nan 8.270 nan 0.000 0.445 159 H N 1.249 120.317 119.070 -0.003 0.000 2.333 159 H HA -0.009 4.547 4.556 -0.000 0.000 0.302 159 H C 1.929 177.276 175.328 0.032 0.000 1.075 159 H CA 1.218 57.272 56.048 0.010 0.000 1.348 159 H CB -0.285 29.472 29.762 -0.009 0.000 1.393 159 H HN 0.097 nan 8.280 nan 0.000 0.509 160 L N 0.114 121.378 121.223 0.068 0.000 2.017 160 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 160 L C 0.951 177.924 176.870 0.172 0.000 1.073 160 L CA 0.668 55.527 54.840 0.031 0.000 0.745 160 L CB -0.120 41.916 42.059 -0.038 0.000 0.894 160 L HN -0.002 nan 8.230 nan 0.000 0.432 164 R N 1.556 122.267 120.500 0.352 0.000 2.081 164 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 164 R C 1.153 177.440 176.300 -0.021 0.000 1.131 164 R CA 2.451 58.593 56.100 0.071 0.000 0.960 164 R CB -0.254 30.198 30.300 0.253 0.000 0.856 164 R HN 0.332 nan 8.270 nan 0.000 0.436 165 D N -0.471 119.977 120.400 0.079 0.000 2.117 165 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 165 D C 1.751 178.077 176.300 0.043 0.000 0.987 165 D CA 1.678 55.715 54.000 0.060 0.000 0.829 165 D CB -0.604 40.249 40.800 0.089 0.000 0.961 165 D HN 0.508 nan 8.370 nan 0.000 0.460 166 G N 0.767 109.603 108.800 0.060 0.000 2.408 166 G HA2 0.004 3.964 3.960 -0.000 0.000 0.217 166 G HA3 0.004 3.964 3.960 -0.000 0.000 0.217 166 G C 0.871 175.786 174.900 0.025 0.000 1.150 166 G CA 0.860 45.991 45.100 0.051 0.000 0.776 166 G HN 0.481 nan 8.290 nan 0.000 0.542 170 A N 0.441 123.319 122.820 0.095 0.000 2.123 170 A HA 0.401 4.721 4.320 -0.000 0.000 0.214 170 A C 2.087 179.788 177.584 0.195 0.000 1.152 170 A CA 1.859 53.967 52.037 0.118 0.000 0.728 170 A CB -0.930 18.108 19.000 0.065 0.000 0.814 170 A HN 1.338 nan 8.150 nan 0.000 0.464 171 G N -0.244 108.694 108.800 0.230 0.000 2.470 171 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 171 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 171 G C 1.289 176.419 174.900 0.383 0.000 1.121 171 G CA 1.428 46.688 45.100 0.267 0.000 0.766 171 G HN 0.996 nan 8.290 nan 0.000 0.553 172 C N -1.217 118.284 119.300 0.337 0.000 2.884 172 C HA 0.694 5.154 4.460 -0.000 0.000 0.287 172 C C 1.509 176.568 174.990 0.115 0.000 1.310 172 C CA -0.623 58.509 59.018 0.191 0.000 1.725 172 C CB -0.980 26.763 27.740 0.004 0.000 2.060 172 C HN 0.205 nan 8.230 nan 0.000 0.618 173 L N -1.662 119.653 121.223 0.153 0.000 3.086 173 L HA 0.541 4.881 4.340 -0.000 0.000 0.274 173 L C -0.177 176.840 176.870 0.245 0.000 1.184 173 L CA 0.280 55.209 54.840 0.147 0.000 1.002 173 L CB 0.411 42.544 42.059 0.123 0.000 1.383 173 L HN 0.323 nan 8.230 nan 0.000 0.582 174 F N -0.128 119.851 119.950 0.047 0.000 2.713 174 F HA 0.313 4.840 4.527 -0.000 0.000 0.311 174 F C -0.689 175.134 175.800 0.039 0.000 1.141 174 F CA -1.212 56.811 58.000 0.037 0.000 0.939 174 F CB 1.420 40.441 39.000 0.035 0.000 1.325 174 F HN -0.199 nan 8.300 nan 0.000 0.453 175 D N 4.491 124.592 120.400 -0.498 0.000 2.570 175 D HA 0.036 4.676 4.640 -0.000 0.000 0.243 175 D C -1.884 174.411 176.300 -0.009 0.000 1.171 175 D CA -0.620 53.225 54.000 -0.258 0.000 0.879 175 D CB 1.528 42.090 40.800 -0.397 0.000 1.143 175 D HN 0.207 nan 8.370 nan 0.000 0.511 176 P HA -0.111 nan 4.420 nan 0.000 0.220 176 P C 1.142 178.451 177.300 0.015 0.000 1.148 176 P CA 0.705 63.818 63.100 0.022 0.000 0.803 176 P CB 0.250 31.946 31.700 -0.006 0.000 0.782 177 E N -0.019 120.186 120.200 0.008 0.000 2.077 177 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 177 E C 1.833 178.465 176.600 0.054 0.000 0.989 177 E CA 0.979 57.389 56.400 0.018 0.000 0.800 177 E CB -0.460 29.242 29.700 0.003 0.000 0.746 177 E HN 0.169 nan 8.360 nan 0.000 0.452 178 L N 0.314 121.584 121.223 0.077 0.000 2.072 178 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 178 L C 2.584 179.566 176.870 0.186 0.000 1.079 178 L CA 0.521 55.448 54.840 0.145 0.000 0.752 178 L CB -0.339 41.855 42.059 0.226 0.000 0.906 178 L HN 0.084 nan 8.230 nan 0.000 0.436 179 V N -0.651 119.391 119.914 0.214 0.000 2.332 179 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 179 V C 2.754 178.934 176.094 0.143 0.000 1.055 179 V CA 2.105 64.509 62.300 0.174 0.000 1.038 179 V CB -0.485 31.428 31.823 0.150 0.000 0.651 179 V HN 0.485 nan 8.190 nan 0.000 0.450 180 S N -0.509 115.254 115.700 0.105 0.000 2.353 180 S HA -0.268 4.202 4.470 -0.000 0.000 0.222 180 S C 1.983 176.684 174.600 0.169 0.000 1.035 180 S CA 2.111 60.389 58.200 0.129 0.000 1.025 180 S CB -0.324 62.915 63.200 0.066 0.000 0.902 180 S HN 0.719 nan 8.310 nan 0.000 0.440 181 E N -0.161 120.110 120.200 0.118 0.000 2.070 181 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 181 E C 2.244 178.916 176.600 0.121 0.000 1.004 181 E CA 1.774 58.234 56.400 0.099 0.000 0.805 181 E CB -0.491 29.249 29.700 0.067 0.000 0.744 181 E HN 0.556 nan 8.360 nan 0.000 0.451 182 T N 1.017 115.652 114.554 0.134 0.000 2.746 182 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 182 T C 1.496 176.316 174.700 0.199 0.000 1.039 182 T CA 1.160 63.345 62.100 0.143 0.000 1.142 182 T CB -0.386 68.555 68.868 0.122 0.000 0.866 182 T HN 0.161 nan 8.240 nan 0.000 0.444 183 F N 1.791 121.777 119.950 0.060 0.000 2.102 183 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 183 F C 1.917 177.740 175.800 0.039 0.000 1.105 183 F CA 1.047 59.074 58.000 0.044 0.000 1.239 183 F CB -0.587 38.428 39.000 0.026 0.000 0.991 183 F HN 0.050 nan 8.300 nan 0.000 0.474 184 L N -0.467 120.711 121.223 -0.075 0.000 2.083 184 L HA -0.259 4.081 4.340 -0.000 0.000 0.209 184 L C 2.761 179.542 176.870 -0.148 0.000 1.083 184 L CA 1.704 56.429 54.840 -0.192 0.000 0.752 184 L CB -1.179 40.867 42.059 -0.022 0.000 0.899 184 L HN 0.343 nan 8.230 nan 0.000 0.433 185 H N 0.356 119.357 119.070 -0.114 0.000 2.353 185 H HA -0.137 4.419 4.556 -0.000 0.000 0.300 185 H C 2.000 177.251 175.328 -0.128 0.000 1.090 185 H CA 1.692 57.685 56.048 -0.090 0.000 1.327 185 H CB 0.116 29.855 29.762 -0.038 0.000 1.383 185 H HN 0.311 nan 8.280 nan 0.000 0.508 186 G N 0.521 109.229 108.800 -0.154 0.000 2.418 186 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 186 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 186 G C 1.956 176.638 174.900 -0.363 0.000 1.158 186 G CA 1.073 46.033 45.100 -0.233 0.000 0.771 186 G HN 0.361 nan 8.290 nan 0.000 0.545 187 V N 0.797 120.437 119.914 -0.456 0.000 2.343 187 V HA -0.140 3.980 4.120 -0.000 0.000 0.247 187 V C 2.826 178.735 176.094 -0.307 0.000 1.051 187 V CA 1.976 64.018 62.300 -0.431 0.000 1.036 187 V CB -0.336 31.159 31.823 -0.548 0.000 0.654 187 V HN 0.298 nan 8.190 nan 0.000 0.451 188 E N 0.646 120.676 120.200 -0.284 0.000 2.118 188 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 188 E C 2.342 178.799 176.600 -0.239 0.000 0.992 188 E CA 1.546 57.811 56.400 -0.225 0.000 0.804 188 E CB -0.746 28.840 29.700 -0.189 0.000 0.741 188 E HN 0.629 nan 8.360 nan 0.000 0.458 189 G N 0.925 109.532 108.800 -0.321 0.000 2.418 189 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 189 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 189 G C 1.862 176.638 174.900 -0.208 0.000 1.158 189 G CA 0.905 45.844 45.100 -0.269 0.000 0.771 189 G HN 0.195 nan 8.290 nan 0.000 0.545 190 V N 0.962 120.721 119.914 -0.260 0.000 2.343 190 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 190 V C 2.922 178.926 176.094 -0.150 0.000 1.051 190 V CA 1.454 63.617 62.300 -0.228 0.000 1.036 190 V CB -0.450 31.194 31.823 -0.299 0.000 0.654 190 V HN 0.339 nan 8.190 nan 0.000 0.451 191 L N -0.398 120.733 121.223 -0.152 0.000 2.046 191 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 191 L C 2.765 179.581 176.870 -0.090 0.000 1.077 191 L CA 1.895 56.667 54.840 -0.113 0.000 0.747 191 L CB -0.616 41.376 42.059 -0.111 0.000 0.896 191 L HN 0.274 nan 8.230 nan 0.000 0.432 192 R N 0.218 120.660 120.500 -0.097 0.000 2.073 192 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 192 R C 1.858 178.123 176.300 -0.058 0.000 1.134 192 R CA 1.996 58.052 56.100 -0.074 0.000 0.952 192 R CB -0.207 30.044 30.300 -0.081 0.000 0.850 192 R HN 0.311 nan 8.270 nan 0.000 0.433 193 D N 0.174 120.537 120.400 -0.061 0.000 2.123 193 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 193 D C 1.868 178.149 176.300 -0.031 0.000 0.992 193 D CA 1.765 55.743 54.000 -0.036 0.000 0.833 193 D CB -0.185 40.602 40.800 -0.021 0.000 0.954 193 D HN 0.324 nan 8.370 nan 0.000 0.455 194 V N -1.735 118.154 119.914 -0.042 0.000 2.871 194 V HA -0.021 4.099 4.120 -0.000 0.000 0.256 194 V C 1.924 177.997 176.094 -0.035 0.000 1.082 194 V CA 1.314 63.592 62.300 -0.037 0.000 1.105 194 V CB -0.307 31.489 31.823 -0.046 0.000 0.713 194 V HN -0.065 nan 8.190 nan 0.000 0.473 195 S N -0.191 115.486 115.700 -0.038 0.000 2.489 195 S HA 0.115 4.585 4.470 -0.000 0.000 0.228 195 S C 0.795 175.379 174.600 -0.027 0.000 0.995 195 S CA 0.496 58.676 58.200 -0.033 0.000 0.934 195 S CB -0.154 63.024 63.200 -0.037 0.000 0.771 195 S HN 0.810 nan 8.310 nan 0.000 0.522 196 E N 0.000 120.185 120.200 -0.025 0.000 2.725 196 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 196 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 196 E CB 0.000 29.689 29.700 -0.018 0.000 0.812 196 E HN 0.000 nan 8.360 nan 0.000 0.440