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 2rh9_1_B DATA FIRST_RESID 2 DATA SEQUENCE TTLLNPYFGE FGGMYVPQIL MPALNQLEEA FVSAQKDPEF QAQFADLLKN DATA SEQUENCE YAGRPTALTK CQNITAGTRT TLYLKREDLL HGGAHKTNQV LGQALLAKRM DATA SEQUENCE GKSEIIAETG AGQHGVASAL ASALLGLKCR IYMGAKDVER QSPNVFRMRL DATA SEQUENCE MGAEVIPVHS GSATLKDACN EALRDWSGSY ETAHYMLGTA AGPHPYPTIV DATA SEQUENCE REFQRMIGEE TKAQILDKEG RLPDAVIACV GGGSNAIGMF ADFINDTSVG DATA SEQUENCE LIGVEPGGHG IETGEHGAPL KHGRVGIYFG MKAPMMQTAD GQIEESYSIS DATA SEQUENCE AGLDFPSVGP QHAYLNSIGR ADYVSITDDE ALEAFKTLCR HEGIIPALES DATA SEQUENCE SHALAHALKM MREQPEKEQL LVVNLSGRGD KDIFTVHDIL KARG 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.685 174.700 -0.025 0.000 1.109 2 T CA 0.000 62.081 62.100 -0.032 0.000 1.349 2 T CB 0.000 68.851 68.868 -0.028 0.000 0.612 3 T N -1.178 113.360 114.554 -0.026 0.000 2.864 3 T HA 0.696 5.046 4.350 -0.000 0.000 0.299 3 T C 0.824 175.523 174.700 -0.002 0.000 1.166 3 T CA -1.023 61.075 62.100 -0.002 0.000 1.007 3 T CB 1.042 69.909 68.868 -0.003 0.000 1.219 3 T HN 0.423 nan 8.240 nan 0.000 0.506 4 L N -0.244 120.996 121.223 0.029 0.000 2.179 4 L HA 0.309 4.649 4.340 -0.000 0.000 0.208 4 L C 0.447 177.330 176.870 0.020 0.000 1.096 4 L CA 0.768 55.621 54.840 0.022 0.000 0.779 4 L CB -0.314 41.764 42.059 0.032 0.000 0.922 4 L HN 0.416 nan 8.230 nan 0.000 0.443 5 L N -1.092 120.161 121.223 0.051 0.000 2.323 5 L HA 0.354 4.693 4.340 -0.000 0.000 0.265 5 L C -0.227 176.546 176.870 -0.163 0.000 1.012 5 L CA -0.921 53.928 54.840 0.014 0.000 0.820 5 L CB 1.262 43.413 42.059 0.154 0.000 1.334 5 L HN -0.098 nan 8.230 nan 0.000 0.427 6 N N 2.004 120.572 118.700 -0.220 0.000 2.452 6 N HA 0.130 4.870 4.740 -0.000 0.000 0.266 6 N C -1.966 173.179 175.510 -0.608 0.000 1.175 6 N CA -1.423 51.431 53.050 -0.328 0.000 0.945 6 N CB 1.277 39.600 38.487 -0.273 0.000 1.063 6 N HN 0.288 nan 8.380 nan 0.000 0.472 7 P HA 0.064 nan 4.420 nan 0.000 0.241 7 P C -0.758 176.156 177.300 -0.643 0.000 1.191 7 P CA 0.765 63.314 63.100 -0.919 0.000 0.771 7 P CB 0.035 31.322 31.700 -0.688 0.000 0.929 8 Y N -0.924 119.107 120.300 -0.450 0.000 2.446 8 Y HA 0.478 5.028 4.550 -0.001 0.000 0.338 8 Y C 0.083 175.624 175.900 -0.599 0.000 1.055 8 Y CA -0.944 56.962 58.100 -0.323 0.000 1.101 8 Y CB 1.216 39.559 38.460 -0.196 0.000 1.221 8 Y HN -0.298 nan 8.280 nan 0.000 0.460 9 F N 2.188 122.150 119.950 0.021 0.000 2.311 9 F HA 0.507 5.034 4.527 -0.000 0.000 0.371 9 F C 0.925 176.562 175.800 -0.272 0.000 1.083 9 F CA -0.350 57.476 58.000 -0.289 0.000 1.113 9 F CB 0.722 39.667 39.000 -0.091 0.000 1.349 9 F HN 0.802 nan 8.300 nan 0.000 0.470 10 G N 2.302 110.893 108.800 -0.348 0.000 2.591 10 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.298 10 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.298 10 G C 1.151 176.043 174.900 -0.013 0.000 1.195 10 G CA 0.642 45.739 45.100 -0.005 0.000 0.989 10 G HN 0.597 nan 8.290 nan 0.000 0.551 11 E N 0.059 120.151 120.200 -0.180 0.000 2.427 11 E HA 0.137 4.487 4.350 -0.000 0.000 0.196 11 E C 0.174 176.693 176.600 -0.135 0.000 1.028 11 E CA 0.026 56.219 56.400 -0.345 0.000 0.864 11 E CB -0.011 29.315 29.700 -0.624 0.000 0.813 11 E HN 0.309 nan 8.360 nan 0.000 0.514 12 F N -0.212 119.973 119.950 0.392 0.000 2.399 12 F HA 0.533 5.059 4.527 -0.000 0.000 0.334 12 F C 1.221 177.213 175.800 0.319 0.000 1.097 12 F CA 0.398 58.610 58.000 0.354 0.000 1.076 12 F CB 1.773 40.944 39.000 0.286 0.000 1.162 12 F HN 0.073 nan 8.300 nan 0.000 0.495 13 G N 0.598 109.603 108.800 0.343 0.000 2.456 13 G HA2 0.440 4.399 3.960 -0.000 0.000 0.204 13 G HA3 0.440 4.399 3.960 -0.000 0.000 0.204 13 G C -0.021 174.722 174.900 -0.261 0.000 1.193 13 G CA -0.101 45.025 45.100 0.043 0.000 1.220 13 G HN 1.880 nan 8.290 nan 0.000 0.565 14 G N -1.159 107.139 108.800 -0.837 0.000 2.660 14 G HA2 0.308 4.267 3.960 -0.000 0.000 0.215 14 G HA3 0.308 4.267 3.960 -0.000 0.000 0.215 14 G C -0.039 174.709 174.900 -0.253 0.000 1.345 14 G CA 0.528 45.161 45.100 -0.777 0.000 0.877 14 G HN 1.639 nan 8.290 nan 0.000 0.549 15 M N 0.134 119.549 119.600 -0.308 0.000 2.720 15 M HA 0.318 4.798 4.480 -0.000 0.000 0.250 15 M C -1.120 175.045 176.300 -0.225 0.000 1.280 15 M CA -0.075 55.127 55.300 -0.163 0.000 0.579 15 M CB 1.264 33.794 32.600 -0.117 0.000 1.469 15 M HN 0.408 nan 8.290 nan 0.000 0.416 16 Y N 1.659 121.958 120.300 -0.000 0.000 2.667 16 Y HA 0.368 4.918 4.550 -0.000 0.000 0.340 16 Y C 0.442 176.345 175.900 0.005 0.000 1.303 16 Y CA -0.709 57.403 58.100 0.020 0.000 1.769 16 Y CB -0.091 38.397 38.460 0.046 0.000 1.804 16 Y HN 0.308 nan 8.280 nan 0.000 0.451 17 V N -1.189 118.762 119.914 0.061 0.000 2.960 17 V HA 0.745 4.865 4.120 -0.000 0.000 0.315 17 V C -2.538 173.564 176.094 0.014 0.000 1.087 17 V CA -3.342 58.981 62.300 0.038 0.000 0.982 17 V CB 1.536 33.366 31.823 0.012 0.000 1.039 17 V HN 0.120 nan 8.190 nan 0.000 0.437 18 P HA 0.130 nan 4.420 nan 0.000 0.266 18 P C 0.465 177.742 177.300 -0.039 0.000 1.193 18 P CA 0.139 63.235 63.100 -0.006 0.000 0.770 18 P CB 0.514 32.210 31.700 -0.007 0.000 0.836 19 Q N 2.168 121.947 119.800 -0.035 0.000 2.173 19 Q HA -0.206 4.134 4.340 -0.000 0.000 0.208 19 Q C 1.603 177.552 176.000 -0.084 0.000 0.989 19 Q CA 1.604 57.375 55.803 -0.053 0.000 0.872 19 Q CB -0.902 27.814 28.738 -0.035 0.000 0.909 19 Q HN 0.470 nan 8.270 nan 0.000 0.420 20 I N -0.563 119.961 120.570 -0.077 0.000 2.454 20 I HA -0.191 3.979 4.170 -0.000 0.000 0.254 20 I C 1.494 177.475 176.117 -0.227 0.000 1.156 20 I CA 1.208 62.450 61.300 -0.097 0.000 1.433 20 I CB -0.017 37.956 38.000 -0.045 0.000 1.082 20 I HN 0.289 nan 8.210 nan 0.000 0.432 21 L N -0.789 120.288 121.223 -0.243 0.000 2.492 21 L HA -0.036 4.304 4.340 -0.000 0.000 0.223 21 L C 2.219 178.852 176.870 -0.393 0.000 1.132 21 L CA 0.032 54.632 54.840 -0.401 0.000 0.850 21 L CB -0.314 41.603 42.059 -0.237 0.000 0.966 21 L HN 0.210 nan 8.230 nan 0.000 0.454 22 M N -0.003 119.445 119.600 -0.254 0.000 2.086 22 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 22 M C -0.158 176.004 176.300 -0.230 0.000 1.067 22 M CA 2.023 57.208 55.300 -0.191 0.000 1.116 22 M CB -2.084 30.443 32.600 -0.122 0.000 1.348 22 M HN 0.029 nan 8.290 nan 0.000 0.407 23 P HA -0.098 nan 4.420 nan 0.000 0.216 23 P C 1.322 178.432 177.300 -0.317 0.000 1.150 23 P CA 2.002 64.959 63.100 -0.238 0.000 0.837 23 P CB -0.215 31.378 31.700 -0.178 0.000 0.786 24 A N -0.668 121.745 122.820 -0.678 0.000 1.908 24 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 24 A C 2.200 179.663 177.584 -0.202 0.000 1.181 24 A CA 1.517 53.178 52.037 -0.626 0.000 0.627 24 A CB -1.636 16.530 19.000 -1.390 0.000 0.818 24 A HN 0.124 nan 8.150 nan 0.000 0.445 25 L N -0.804 120.312 121.223 -0.179 0.000 2.056 25 L HA -0.191 4.148 4.340 -0.000 0.000 0.207 25 L C 2.316 179.156 176.870 -0.051 0.000 1.078 25 L CA 1.647 56.474 54.840 -0.021 0.000 0.749 25 L CB -0.689 41.365 42.059 -0.008 0.000 0.901 25 L HN 0.495 nan 8.230 nan 0.000 0.433 26 N N -0.583 118.079 118.700 -0.064 0.000 2.142 26 N HA -0.246 4.494 4.740 -0.000 0.000 0.186 26 N C 1.869 177.367 175.510 -0.021 0.000 1.023 26 N CA 0.860 53.888 53.050 -0.037 0.000 0.852 26 N CB -0.073 38.391 38.487 -0.038 0.000 0.998 26 N HN 0.350 nan 8.380 nan 0.000 0.424 27 Q N 0.920 120.713 119.800 -0.013 0.000 2.030 27 Q HA -0.205 4.134 4.340 -0.000 0.000 0.204 27 Q C 2.154 178.173 176.000 0.032 0.000 0.986 27 Q CA 1.331 57.149 55.803 0.025 0.000 0.843 27 Q CB -0.129 28.648 28.738 0.065 0.000 0.904 27 Q HN 0.316 nan 8.270 nan 0.000 0.420 28 L N 1.287 122.537 121.223 0.045 0.000 2.046 28 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 28 L C 2.273 179.115 176.870 -0.047 0.000 1.077 28 L CA 2.282 57.133 54.840 0.018 0.000 0.747 28 L CB -0.698 41.380 42.059 0.032 0.000 0.896 28 L HN 0.361 nan 8.230 nan 0.000 0.432 29 E N -0.673 119.477 120.200 -0.085 0.000 2.058 29 E HA -0.323 4.027 4.350 -0.000 0.000 0.194 29 E C 2.067 178.680 176.600 0.022 0.000 0.997 29 E CA 1.438 57.795 56.400 -0.071 0.000 0.801 29 E CB -0.058 29.594 29.700 -0.079 0.000 0.746 29 E HN 0.642 nan 8.360 nan 0.000 0.450 30 E N 0.499 120.700 120.200 0.002 0.000 2.058 30 E HA -0.178 4.171 4.350 -0.000 0.000 0.194 30 E C 1.775 178.360 176.600 -0.025 0.000 0.997 30 E CA 1.706 58.102 56.400 -0.006 0.000 0.801 30 E CB -0.355 29.341 29.700 -0.007 0.000 0.746 30 E HN 0.316 nan 8.360 nan 0.000 0.450 31 A N -0.105 122.705 122.820 -0.017 0.000 1.898 31 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 31 A C 2.187 179.711 177.584 -0.100 0.000 1.181 31 A CA 1.375 53.383 52.037 -0.049 0.000 0.620 31 A CB -0.983 18.003 19.000 -0.023 0.000 0.819 31 A HN 0.495 nan 8.150 nan 0.000 0.442 32 F N 0.862 120.694 119.950 -0.197 0.000 2.095 32 F HA -0.169 4.358 4.527 -0.001 0.000 0.298 32 F C 2.211 177.881 175.800 -0.217 0.000 1.104 32 F CA 2.077 59.931 58.000 -0.243 0.000 1.232 32 F CB -0.459 38.377 39.000 -0.272 0.000 0.987 32 F HN 0.023 nan 8.300 nan 0.000 0.475 33 V N -0.611 119.152 119.914 -0.252 0.000 2.343 33 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 33 V C 2.675 178.592 176.094 -0.296 0.000 1.051 33 V CA 1.994 64.116 62.300 -0.296 0.000 1.036 33 V CB -1.043 30.728 31.823 -0.088 0.000 0.654 33 V HN 0.518 nan 8.190 nan 0.000 0.451 34 S N -0.213 115.351 115.700 -0.226 0.000 2.356 34 S HA -0.202 4.268 4.470 -0.000 0.000 0.223 34 S C 2.168 176.603 174.600 -0.276 0.000 1.032 34 S CA 1.690 59.773 58.200 -0.195 0.000 1.005 34 S CB -0.366 62.753 63.200 -0.135 0.000 0.867 34 S HN 0.622 nan 8.310 nan 0.000 0.449 35 A N 1.126 123.681 122.820 -0.442 0.000 1.933 35 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 35 A C 2.175 179.422 177.584 -0.561 0.000 1.175 35 A CA 1.477 53.077 52.037 -0.729 0.000 0.628 35 A CB -0.687 17.490 19.000 -1.373 0.000 0.814 35 A HN 0.569 nan 8.150 nan 0.000 0.444 36 Q N -0.125 119.343 119.800 -0.554 0.000 2.226 36 Q HA -0.096 4.243 4.340 -0.000 0.000 0.204 36 Q C 1.355 177.252 176.000 -0.171 0.000 0.975 36 Q CA 1.387 56.972 55.803 -0.364 0.000 0.866 36 Q CB -0.204 28.190 28.738 -0.573 0.000 0.915 36 Q HN 0.731 nan 8.270 nan 0.000 0.440 37 K N 0.533 120.833 120.400 -0.167 0.000 2.404 37 K HA 0.017 4.337 4.320 -0.000 0.000 0.194 37 K C 0.047 176.622 176.600 -0.041 0.000 1.023 37 K CA -0.052 56.184 56.287 -0.084 0.000 1.094 37 K CB 0.453 32.903 32.500 -0.083 0.000 0.841 37 K HN -0.038 nan 8.250 nan 0.000 0.523 38 D N 1.592 121.972 120.400 -0.033 0.000 2.412 38 D HA 0.079 4.719 4.640 -0.000 0.000 0.224 38 D C -1.657 174.697 176.300 0.089 0.000 1.093 38 D CA -2.586 51.427 54.000 0.022 0.000 0.850 38 D CB 1.529 42.341 40.800 0.019 0.000 1.046 38 D HN -0.120 nan 8.370 nan 0.000 0.507 39 P HA -0.125 nan 4.420 nan 0.000 0.220 39 P C 0.744 178.093 177.300 0.083 0.000 1.148 39 P CA 0.937 64.079 63.100 0.070 0.000 0.803 39 P CB 0.608 32.332 31.700 0.040 0.000 0.782 40 E N -0.980 119.270 120.200 0.083 0.000 2.072 40 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 40 E C 1.905 178.563 176.600 0.097 0.000 0.985 40 E CA 0.653 57.096 56.400 0.070 0.000 0.801 40 E CB -0.628 29.106 29.700 0.056 0.000 0.750 40 E HN 0.172 nan 8.360 nan 0.000 0.452 41 F N 2.124 122.077 119.950 0.004 0.000 2.095 41 F HA -0.250 4.276 4.527 -0.000 0.000 0.298 41 F C 2.322 178.156 175.800 0.056 0.000 1.104 41 F CA 1.458 59.462 58.000 0.007 0.000 1.232 41 F CB 0.088 39.081 39.000 -0.013 0.000 0.987 41 F HN -0.084 nan 8.300 nan 0.000 0.475 42 Q N 0.440 120.424 119.800 0.306 0.000 2.084 42 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 42 Q C 2.514 178.571 176.000 0.094 0.000 0.978 42 Q CA 1.506 57.456 55.803 0.245 0.000 0.844 42 Q CB -1.180 27.679 28.738 0.203 0.000 0.898 42 Q HN 0.547 nan 8.270 nan 0.000 0.426 43 A N 0.819 123.668 122.820 0.049 0.000 1.902 43 A HA -0.239 4.080 4.320 -0.000 0.000 0.217 43 A C 2.116 179.681 177.584 -0.030 0.000 1.181 43 A CA 1.720 53.760 52.037 0.005 0.000 0.623 43 A CB -0.546 18.458 19.000 0.007 0.000 0.818 43 A HN 0.422 nan 8.150 nan 0.000 0.443 44 Q N -1.877 117.883 119.800 -0.067 0.000 2.079 44 Q HA -0.161 4.179 4.340 -0.000 0.000 0.200 44 Q C 1.872 177.816 176.000 -0.094 0.000 0.974 44 Q CA 1.666 57.401 55.803 -0.113 0.000 0.840 44 Q CB -0.270 28.354 28.738 -0.191 0.000 0.898 44 Q HN 0.595 nan 8.270 nan 0.000 0.430 45 F N 0.787 120.521 119.950 -0.360 0.000 2.134 45 F HA -0.049 4.478 4.527 -0.000 0.000 0.299 45 F C 2.008 177.706 175.800 -0.171 0.000 1.097 45 F CA 1.268 59.063 58.000 -0.341 0.000 1.264 45 F CB -0.968 37.777 39.000 -0.424 0.000 1.001 45 F HN 0.153 nan 8.300 nan 0.000 0.479 46 A N -0.130 122.614 122.820 -0.125 0.000 1.908 46 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 46 A C 1.973 179.488 177.584 -0.115 0.000 1.181 46 A CA 2.083 54.011 52.037 -0.182 0.000 0.627 46 A CB -1.269 17.671 19.000 -0.100 0.000 0.818 46 A HN 0.489 nan 8.150 nan 0.000 0.445 47 D N -0.363 119.997 120.400 -0.067 0.000 2.117 47 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 47 D C 1.835 178.120 176.300 -0.025 0.000 0.982 47 D CA 1.290 55.264 54.000 -0.043 0.000 0.828 47 D CB -0.200 40.576 40.800 -0.039 0.000 0.967 47 D HN 0.420 nan 8.370 nan 0.000 0.464 48 L N -0.102 121.109 121.223 -0.019 0.000 2.017 48 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 48 L C 2.676 179.589 176.870 0.071 0.000 1.073 48 L CA 0.719 55.578 54.840 0.031 0.000 0.745 48 L CB -0.490 41.581 42.059 0.020 0.000 0.894 48 L HN 0.189 nan 8.230 nan 0.000 0.432 49 L N -0.121 121.088 121.223 -0.025 0.000 2.043 49 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 49 L C 2.719 179.570 176.870 -0.032 0.000 1.075 49 L CA 1.617 56.420 54.840 -0.061 0.000 0.752 49 L CB -0.501 41.407 42.059 -0.251 0.000 0.891 49 L HN 0.286 nan 8.230 nan 0.000 0.432 50 K N -0.126 120.247 120.400 -0.044 0.000 1.991 50 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 50 K C 1.799 178.391 176.600 -0.014 0.000 1.045 50 K CA 1.383 57.651 56.287 -0.033 0.000 0.937 50 K CB 0.090 32.567 32.500 -0.038 0.000 0.720 50 K HN 0.254 nan 8.250 nan 0.000 0.438 51 N N -0.756 117.947 118.700 0.006 0.000 2.424 51 N HA -0.079 4.661 4.740 -0.000 0.000 0.178 51 N C 1.151 176.686 175.510 0.042 0.000 1.060 51 N CA 0.663 53.721 53.050 0.013 0.000 0.901 51 N CB 0.257 38.751 38.487 0.012 0.000 0.979 51 N HN 0.288 nan 8.380 nan 0.000 0.451 52 Y N 0.603 120.856 120.300 -0.079 0.000 2.506 52 Y HA 0.402 4.952 4.550 -0.000 0.000 0.287 52 Y C 2.096 177.921 175.900 -0.126 0.000 1.147 52 Y CA 0.639 58.668 58.100 -0.118 0.000 1.241 52 Y CB -0.175 38.232 38.460 -0.089 0.000 1.279 52 Y HN -0.055 nan 8.280 nan 0.000 0.527 53 A N -0.404 122.411 122.820 -0.008 0.000 2.030 53 A HA 0.374 4.694 4.320 -0.000 0.000 0.215 53 A C 1.710 179.276 177.584 -0.030 0.000 1.164 53 A CA 1.026 53.049 52.037 -0.023 0.000 0.697 53 A CB -0.945 18.123 19.000 0.114 0.000 0.827 53 A HN 1.024 nan 8.150 nan 0.000 0.457 54 G N -0.775 108.003 108.800 -0.037 0.000 2.135 54 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.183 54 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.183 54 G C 0.086 174.978 174.900 -0.014 0.000 1.004 54 G CA -0.072 45.010 45.100 -0.031 0.000 0.677 54 G HN 0.531 nan 8.290 nan 0.000 0.512 55 R N 0.721 121.212 120.500 -0.016 0.000 2.582 55 R HA 0.420 4.759 4.340 -0.000 0.000 0.271 55 R C -2.020 174.266 176.300 -0.023 0.000 1.078 55 R CA -1.100 54.988 56.100 -0.020 0.000 1.127 55 R CB 0.571 30.846 30.300 -0.041 0.000 1.038 55 R HN 0.221 nan 8.270 nan 0.000 0.500 56 P HA 0.029 nan 4.420 nan 0.000 0.274 56 P C -0.404 176.899 177.300 0.005 0.000 1.231 56 P CA -0.316 62.780 63.100 -0.007 0.000 0.790 56 P CB 0.745 32.441 31.700 -0.006 0.000 0.951 57 T N -1.167 113.397 114.554 0.017 0.000 2.910 57 T HA 0.530 4.879 4.350 -0.000 0.000 0.293 57 T C 0.560 175.279 174.700 0.031 0.000 1.015 57 T CA -0.759 61.356 62.100 0.026 0.000 1.094 57 T CB 0.453 69.344 68.868 0.038 0.000 0.968 57 T HN 0.540 nan 8.240 nan 0.000 0.521 58 A N 1.968 124.809 122.820 0.034 0.000 2.507 58 A HA 0.472 4.792 4.320 -0.000 0.000 0.235 58 A C -0.031 177.591 177.584 0.063 0.000 1.070 58 A CA -0.550 51.514 52.037 0.044 0.000 0.768 58 A CB -0.249 18.777 19.000 0.042 0.000 1.011 58 A HN 0.935 nan 8.150 nan 0.000 0.502 59 L N 1.863 123.134 121.223 0.080 0.000 2.295 59 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 59 L C -0.145 176.855 176.870 0.217 0.000 1.018 59 L CA 0.331 55.247 54.840 0.126 0.000 0.841 59 L CB 1.479 43.579 42.059 0.067 0.000 1.218 59 L HN 0.633 nan 8.230 nan 0.000 0.424 60 T N 4.411 119.084 114.554 0.198 0.000 2.767 60 T HA 0.276 4.625 4.350 -0.000 0.000 0.284 60 T C -0.225 174.511 174.700 0.060 0.000 0.973 60 T CA -0.439 61.738 62.100 0.128 0.000 0.996 60 T CB 0.870 69.770 68.868 0.053 0.000 0.927 60 T HN 0.443 nan 8.240 nan 0.000 0.456 61 K N 2.222 122.556 120.400 -0.110 0.000 2.297 61 K HA 0.278 4.597 4.320 -0.000 0.000 0.286 61 K C -0.767 175.669 176.600 -0.272 0.000 1.053 61 K CA -0.517 55.444 56.287 -0.543 0.000 0.940 61 K CB 0.246 32.373 32.500 -0.621 0.000 1.019 61 K HN 0.606 nan 8.250 nan 0.000 0.475 62 C N 5.583 124.729 119.300 -0.256 0.000 2.125 62 C HA 0.191 4.650 4.460 -0.000 0.000 0.355 62 C C 1.138 176.046 174.990 -0.137 0.000 1.047 62 C CA -0.593 58.340 59.018 -0.141 0.000 1.501 62 C CB -0.630 27.053 27.740 -0.095 0.000 1.783 62 C HN 0.928 nan 8.230 nan 0.000 0.455 63 Q N 0.889 120.618 119.800 -0.117 0.000 2.245 63 Q HA -0.084 4.256 4.340 -0.000 0.000 0.201 63 Q C 1.688 177.649 176.000 -0.065 0.000 0.955 63 Q CA 0.989 56.735 55.803 -0.095 0.000 0.870 63 Q CB 0.159 28.849 28.738 -0.080 0.000 0.945 63 Q HN 0.672 nan 8.270 nan 0.000 0.461 64 N N 1.171 119.846 118.700 -0.041 0.000 2.106 64 N HA -0.095 4.645 4.740 -0.000 0.000 0.188 64 N C 1.774 177.240 175.510 -0.072 0.000 1.029 64 N CA 0.994 54.033 53.050 -0.019 0.000 0.848 64 N CB -0.137 38.382 38.487 0.053 0.000 1.007 64 N HN 0.216 nan 8.380 nan 0.000 0.423 65 I N 1.213 121.734 120.570 -0.083 0.000 2.248 65 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 65 I C 1.584 177.618 176.117 -0.138 0.000 1.107 65 I CA 1.540 62.755 61.300 -0.142 0.000 1.373 65 I CB -0.672 37.275 38.000 -0.089 0.000 1.055 65 I HN 0.291 nan 8.210 nan 0.000 0.418 66 T N -1.635 112.856 114.554 -0.104 0.000 3.086 66 T HA 0.408 4.758 4.350 -0.000 0.000 0.250 66 T C 0.788 175.441 174.700 -0.079 0.000 1.074 66 T CA -0.117 61.930 62.100 -0.089 0.000 0.988 66 T CB -0.185 68.634 68.868 -0.082 0.000 0.988 66 T HN 0.215 nan 8.240 nan 0.000 0.530 67 A N 0.830 123.601 122.820 -0.081 0.000 2.546 67 A HA 0.507 4.826 4.320 -0.000 0.000 0.243 67 A C 1.707 179.257 177.584 -0.057 0.000 1.063 67 A CA 0.330 52.330 52.037 -0.062 0.000 0.757 67 A CB -1.089 17.878 19.000 -0.055 0.000 0.991 67 A HN 1.505 nan 8.150 nan 0.000 0.503 68 G N 1.462 110.236 108.800 -0.044 0.000 2.159 68 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.256 68 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.256 68 G C 0.478 175.355 174.900 -0.039 0.000 0.977 68 G CA 1.209 46.286 45.100 -0.038 0.000 0.652 68 G HN 2.394 nan 8.290 nan 0.000 0.531 69 T N -3.545 110.984 114.554 -0.043 0.000 2.907 69 T HA 0.719 5.069 4.350 -0.000 0.000 0.290 69 T C 0.662 175.341 174.700 -0.035 0.000 1.066 69 T CA -0.640 61.436 62.100 -0.040 0.000 1.012 69 T CB 1.663 70.502 68.868 -0.049 0.000 1.184 69 T HN 0.127 nan 8.240 nan 0.000 0.522 70 R N 0.233 120.714 120.500 -0.031 0.000 2.480 70 R HA 0.234 4.574 4.340 -0.000 0.000 0.277 70 R C -0.087 176.198 176.300 -0.025 0.000 1.008 70 R CA -0.257 55.828 56.100 -0.025 0.000 1.090 70 R CB 0.100 30.389 30.300 -0.019 0.000 1.234 70 R HN 0.562 nan 8.270 nan 0.000 0.549 71 T N 1.207 115.741 114.554 -0.033 0.000 2.817 71 T HA 0.174 4.524 4.350 -0.000 0.000 0.293 71 T C 0.169 174.848 174.700 -0.035 0.000 0.964 71 T CA 0.274 62.355 62.100 -0.032 0.000 1.085 71 T CB 1.739 70.582 68.868 -0.043 0.000 0.921 71 T HN -0.060 nan 8.240 nan 0.000 0.502 72 T N 4.084 118.627 114.554 -0.019 0.000 2.779 72 T HA 0.541 4.890 4.350 -0.000 0.000 0.280 72 T C -0.852 173.837 174.700 -0.017 0.000 0.987 72 T CA -0.578 61.503 62.100 -0.033 0.000 0.966 72 T CB 0.833 69.713 68.868 0.019 0.000 0.933 72 T HN 0.313 nan 8.240 nan 0.000 0.442 73 L N 4.601 125.765 121.223 -0.097 0.000 2.349 73 L HA 0.621 4.960 4.340 -0.000 0.000 0.278 73 L C -1.781 175.003 176.870 -0.143 0.000 0.996 73 L CA -0.663 54.146 54.840 -0.052 0.000 0.825 73 L CB 0.744 42.771 42.059 -0.054 0.000 1.243 73 L HN 0.566 nan 8.230 nan 0.000 0.412 74 Y N 4.695 124.991 120.300 -0.006 0.000 2.420 74 Y HA 0.642 5.191 4.550 -0.000 0.000 0.334 74 Y C -0.415 175.490 175.900 0.008 0.000 1.094 74 Y CA -0.620 57.482 58.100 0.003 0.000 1.126 74 Y CB 1.849 40.315 38.460 0.010 0.000 1.217 74 Y HN 0.399 nan 8.280 nan 0.000 0.462 75 L N 3.384 124.705 121.223 0.162 0.000 2.313 75 L HA 0.447 4.786 4.340 -0.000 0.000 0.283 75 L C -0.455 176.483 176.870 0.113 0.000 1.013 75 L CA -1.229 53.675 54.840 0.106 0.000 0.816 75 L CB 1.409 43.502 42.059 0.057 0.000 1.236 75 L HN 0.389 nan 8.230 nan 0.000 0.419 76 K N 3.723 124.180 120.400 0.095 0.000 2.312 76 K HA 0.167 4.487 4.320 -0.000 0.000 0.287 76 K C -0.099 176.542 176.600 0.068 0.000 1.062 76 K CA -0.116 56.221 56.287 0.084 0.000 0.934 76 K CB 0.502 33.051 32.500 0.083 0.000 1.027 76 K HN 0.280 nan 8.250 nan 0.000 0.478 77 R N 4.499 125.037 120.500 0.063 0.000 4.071 77 R HA 0.070 4.409 4.340 -0.000 0.000 0.220 77 R C -0.142 176.190 176.300 0.054 0.000 1.614 77 R CA -0.156 55.976 56.100 0.052 0.000 1.505 77 R CB 0.198 30.525 30.300 0.045 0.000 1.384 77 R HN 0.650 nan 8.270 nan 0.000 0.758 78 E N 0.981 121.221 120.200 0.065 0.000 2.418 78 E HA -0.137 4.213 4.350 -0.000 0.000 0.197 78 E C 1.122 177.768 176.600 0.077 0.000 1.026 78 E CA 0.640 57.091 56.400 0.084 0.000 0.862 78 E CB 0.214 29.987 29.700 0.121 0.000 0.799 78 E HN 0.511 nan 8.360 nan 0.000 0.518 79 D N 0.560 120.997 120.400 0.061 0.000 2.263 79 D HA -0.186 4.454 4.640 -0.000 0.000 0.208 79 D C 1.709 178.027 176.300 0.030 0.000 0.971 79 D CA 0.614 54.641 54.000 0.045 0.000 0.867 79 D CB -0.340 40.480 40.800 0.033 0.000 0.929 79 D HN 0.262 nan 8.370 nan 0.000 0.492 80 L N -0.364 120.877 121.223 0.031 0.000 2.558 80 L HA 0.134 4.474 4.340 -0.000 0.000 0.225 80 L C 0.942 177.827 176.870 0.026 0.000 1.128 80 L CA -0.500 54.353 54.840 0.023 0.000 0.868 80 L CB -0.119 41.952 42.059 0.021 0.000 1.006 80 L HN 0.020 nan 8.230 nan 0.000 0.454 81 L N 0.144 121.388 121.223 0.035 0.000 2.461 81 L HA 0.035 4.375 4.340 -0.000 0.000 0.272 81 L C 0.581 177.472 176.870 0.036 0.000 1.197 81 L CA 0.063 54.927 54.840 0.041 0.000 0.836 81 L CB 0.183 42.273 42.059 0.053 0.000 1.105 81 L HN 0.057 nan 8.230 nan 0.000 0.477 82 H N 3.385 122.411 119.070 -0.075 0.000 3.125 82 H HA 0.350 4.905 4.556 -0.000 0.000 0.310 82 H C 1.089 176.372 175.328 -0.074 0.000 0.980 82 H CA 0.871 56.844 56.048 -0.124 0.000 1.422 82 H CB 0.273 29.875 29.762 -0.266 0.000 1.432 82 H HN 0.768 nan 8.280 nan 0.000 0.577 83 G N 2.564 111.065 108.800 -0.498 0.000 2.234 83 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.235 83 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.235 83 G C 1.232 176.042 174.900 -0.151 0.000 0.997 83 G CA 0.630 45.511 45.100 -0.365 0.000 0.623 83 G HN 1.842 nan 8.290 nan 0.000 0.514 84 G N -0.989 107.761 108.800 -0.084 0.000 2.157 84 G HA2 0.364 4.324 3.960 -0.000 0.000 0.248 84 G HA3 0.364 4.324 3.960 -0.000 0.000 0.248 84 G C 0.584 175.490 174.900 0.009 0.000 0.979 84 G CA 1.142 46.227 45.100 -0.024 0.000 0.650 84 G HN 2.545 nan 8.290 nan 0.000 0.529 85 A N -0.995 121.826 122.820 0.001 0.000 2.609 85 A HA 0.734 5.053 4.320 -0.000 0.000 0.291 85 A C 0.810 178.410 177.584 0.026 0.000 1.096 85 A CA 0.517 52.581 52.037 0.045 0.000 0.684 85 A CB 0.175 19.181 19.000 0.010 0.000 1.282 85 A HN 1.113 nan 8.150 nan 0.000 0.412 86 H N 0.590 119.683 119.070 0.039 0.000 2.518 86 H HA -0.032 4.524 4.556 -0.000 0.000 0.289 86 H C 0.696 176.068 175.328 0.075 0.000 1.051 86 H CA 1.392 57.473 56.048 0.054 0.000 1.280 86 H CB -0.078 29.714 29.762 0.049 0.000 1.380 86 H HN 0.561 nan 8.280 nan 0.000 0.566 87 K N 0.807 120.838 120.400 -0.615 0.000 2.160 87 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 87 K C 1.976 178.544 176.600 -0.052 0.000 1.047 87 K CA 1.345 57.417 56.287 -0.358 0.000 0.930 87 K CB -0.570 31.792 32.500 -0.230 0.000 0.720 87 K HN 0.381 nan 8.250 nan 0.000 0.450 88 T N 2.021 116.561 114.554 -0.023 0.000 2.803 88 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 88 T C 1.581 176.361 174.700 0.134 0.000 1.052 88 T CA 1.194 63.330 62.100 0.060 0.000 1.136 88 T CB -0.165 68.740 68.868 0.060 0.000 0.864 88 T HN 0.241 nan 8.240 nan 0.000 0.467 89 N N 1.805 120.592 118.700 0.145 0.000 2.025 89 N HA -0.155 4.585 4.740 -0.000 0.000 0.194 89 N C 2.095 177.797 175.510 0.319 0.000 1.044 89 N CA 1.832 55.012 53.050 0.216 0.000 0.851 89 N CB -0.470 38.141 38.487 0.208 0.000 1.036 89 N HN 0.666 nan 8.380 nan 0.000 0.422 90 Q N 0.816 120.787 119.800 0.284 0.000 2.269 90 Q HA 0.034 4.374 4.340 -0.000 0.000 0.201 90 Q C 1.898 178.035 176.000 0.228 0.000 0.946 90 Q CA 0.826 56.832 55.803 0.338 0.000 0.877 90 Q CB -0.500 28.450 28.738 0.352 0.000 0.963 90 Q HN 0.261 nan 8.270 nan 0.000 0.472 91 V N -1.113 118.906 119.914 0.176 0.000 2.490 91 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 91 V C 2.046 178.171 176.094 0.051 0.000 1.061 91 V CA 1.465 63.836 62.300 0.117 0.000 1.064 91 V CB -0.743 31.113 31.823 0.054 0.000 0.670 91 V HN 0.378 nan 8.190 nan 0.000 0.461 92 L N 1.147 122.409 121.223 0.065 0.000 2.056 92 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 92 L C 2.888 179.590 176.870 -0.279 0.000 1.078 92 L CA 1.629 56.471 54.840 0.003 0.000 0.749 92 L CB -1.198 40.969 42.059 0.179 0.000 0.901 92 L HN 0.477 nan 8.230 nan 0.000 0.433 93 G N -1.020 107.415 108.800 -0.609 0.000 2.421 93 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.216 93 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.216 93 G C 1.508 176.071 174.900 -0.562 0.000 1.171 93 G CA 0.283 44.438 45.100 -1.574 0.000 0.775 93 G HN 0.341 nan 8.290 nan 0.000 0.543 94 Q N 0.072 119.836 119.800 -0.059 0.000 2.119 94 Q HA -0.005 4.335 4.340 -0.000 0.000 0.201 94 Q C 3.037 179.048 176.000 0.019 0.000 0.972 94 Q CA 1.082 56.978 55.803 0.154 0.000 0.847 94 Q CB -0.229 28.685 28.738 0.294 0.000 0.903 94 Q HN 0.481 nan 8.270 nan 0.000 0.433 95 A N 0.968 123.783 122.820 -0.009 0.000 1.902 95 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 95 A C 2.069 179.617 177.584 -0.060 0.000 1.181 95 A CA 1.044 53.070 52.037 -0.019 0.000 0.623 95 A CB -0.656 18.323 19.000 -0.035 0.000 0.818 95 A HN 0.279 nan 8.150 nan 0.000 0.443 96 L N -0.702 120.442 121.223 -0.132 0.000 2.046 96 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 96 L C 2.593 179.530 176.870 0.112 0.000 1.077 96 L CA 0.954 55.721 54.840 -0.122 0.000 0.747 96 L CB -0.518 41.263 42.059 -0.463 0.000 0.896 96 L HN 0.385 nan 8.230 nan 0.000 0.432 97 L N -0.433 120.888 121.223 0.163 0.000 2.012 97 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 97 L C 2.912 179.758 176.870 -0.040 0.000 1.073 97 L CA 1.294 56.197 54.840 0.105 0.000 0.748 97 L CB -0.689 41.389 42.059 0.032 0.000 0.891 97 L HN 0.277 nan 8.230 nan 0.000 0.431 98 A N 0.261 123.000 122.820 -0.135 0.000 1.892 98 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 98 A C 2.278 179.874 177.584 0.020 0.000 1.188 98 A CA 2.057 54.049 52.037 -0.075 0.000 0.631 98 A CB -0.423 18.586 19.000 0.016 0.000 0.822 98 A HN 0.360 nan 8.150 nan 0.000 0.447 99 K N -1.001 119.411 120.400 0.021 0.000 2.097 99 K HA -0.118 4.201 4.320 -0.000 0.000 0.205 99 K C 2.329 178.955 176.600 0.043 0.000 1.050 99 K CA 1.283 57.586 56.287 0.028 0.000 0.938 99 K CB -0.169 32.335 32.500 0.006 0.000 0.718 99 K HN 0.472 nan 8.250 nan 0.000 0.442 100 R N 0.924 121.463 120.500 0.066 0.000 2.120 100 R HA -0.043 4.297 4.340 -0.000 0.000 0.234 100 R C 1.812 178.137 176.300 0.043 0.000 1.123 100 R CA 1.300 57.443 56.100 0.071 0.000 0.975 100 R CB -0.000 30.362 30.300 0.103 0.000 0.866 100 R HN 0.174 nan 8.270 nan 0.000 0.446 101 M N -0.730 118.895 119.600 0.041 0.000 2.618 101 M HA 0.128 4.608 4.480 -0.000 0.000 0.240 101 M C 0.821 177.156 176.300 0.059 0.000 1.123 101 M CA 0.822 56.152 55.300 0.051 0.000 1.060 101 M CB 0.917 33.560 32.600 0.072 0.000 1.535 101 M HN 0.491 nan 8.290 nan 0.000 0.507 102 G N 1.305 110.136 108.800 0.051 0.000 2.143 102 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.248 102 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.248 102 G C -0.142 174.794 174.900 0.061 0.000 0.991 102 G CA -0.124 45.005 45.100 0.047 0.000 0.689 102 G HN 0.339 nan 8.290 nan 0.000 0.522 103 K N 0.551 121.000 120.400 0.082 0.000 2.174 103 K HA 0.550 4.869 4.320 -0.000 0.000 0.275 103 K C 1.288 177.939 176.600 0.086 0.000 1.015 103 K CA 0.239 56.592 56.287 0.110 0.000 0.933 103 K CB 1.543 34.151 32.500 0.179 0.000 1.025 103 K HN 0.504 nan 8.250 nan 0.000 0.463 104 S N 0.153 115.901 115.700 0.082 0.000 2.540 104 S HA 0.144 4.614 4.470 -0.000 0.000 0.222 104 S C 0.079 174.718 174.600 0.065 0.000 1.008 104 S CA -0.346 57.889 58.200 0.059 0.000 0.939 104 S CB 0.366 63.592 63.200 0.043 0.000 0.865 104 S HN 0.601 nan 8.310 nan 0.000 0.499 105 E N 0.660 120.918 120.200 0.096 0.000 2.312 105 E HA 0.581 4.931 4.350 -0.000 0.000 0.267 105 E C -1.423 175.254 176.600 0.129 0.000 0.894 105 E CA -0.865 55.593 56.400 0.096 0.000 0.773 105 E CB 1.745 31.506 29.700 0.101 0.000 1.241 105 E HN 0.132 nan 8.360 nan 0.000 0.432 106 I N 2.865 123.492 120.570 0.096 0.000 2.498 106 I HA 0.418 4.588 4.170 -0.000 0.000 0.290 106 I C -0.493 175.665 176.117 0.069 0.000 1.032 106 I CA -0.561 60.794 61.300 0.092 0.000 1.073 106 I CB 1.468 39.507 38.000 0.064 0.000 1.251 106 I HN 0.495 nan 8.210 nan 0.000 0.426 107 I N 4.866 125.486 120.570 0.082 0.000 2.404 107 I HA 0.709 4.878 4.170 -0.000 0.000 0.293 107 I C 0.113 176.345 176.117 0.192 0.000 0.992 107 I CA -0.368 61.013 61.300 0.134 0.000 1.149 107 I CB 1.978 40.083 38.000 0.176 0.000 1.315 107 I HN 0.672 nan 8.210 nan 0.000 0.446 108 A N 5.518 128.450 122.820 0.185 0.000 2.515 108 A HA 0.769 5.089 4.320 -0.000 0.000 0.296 108 A C -1.030 176.730 177.584 0.292 0.000 1.094 108 A CA -0.595 51.581 52.037 0.232 0.000 0.718 108 A CB 1.787 20.823 19.000 0.059 0.000 1.307 108 A HN 0.653 nan 8.150 nan 0.000 0.408 109 E N 0.668 121.070 120.200 0.337 0.000 2.207 109 E HA 0.736 5.086 4.350 -0.000 0.000 0.270 109 E C -1.127 175.601 176.600 0.213 0.000 0.927 109 E CA -0.473 56.079 56.400 0.254 0.000 0.799 109 E CB 1.936 31.765 29.700 0.216 0.000 1.172 109 E HN 0.522 nan 8.360 nan 0.000 0.404 110 T N 0.777 115.414 114.554 0.138 0.000 2.889 110 T HA 0.592 4.941 4.350 -0.000 0.000 0.315 110 T C -0.021 174.718 174.700 0.066 0.000 1.291 110 T CA 0.060 62.225 62.100 0.109 0.000 1.028 110 T CB 1.344 70.270 68.868 0.096 0.000 1.235 110 T HN 0.530 nan 8.240 nan 0.000 0.491 111 G N 1.097 109.929 108.800 0.053 0.000 2.598 111 G HA2 0.452 4.412 3.960 -0.000 0.000 0.225 111 G HA3 0.452 4.412 3.960 -0.000 0.000 0.225 111 G C 1.613 176.533 174.900 0.034 0.000 1.631 111 G CA 0.662 45.785 45.100 0.039 0.000 0.821 111 G HN 0.915 nan 8.290 nan 0.000 0.610 112 A N -0.642 122.197 122.820 0.032 0.000 2.015 112 A HA 0.400 4.719 4.320 -0.000 0.000 0.219 112 A C 2.045 179.651 177.584 0.036 0.000 1.163 112 A CA 2.001 54.057 52.037 0.031 0.000 0.646 112 A CB -0.526 18.492 19.000 0.029 0.000 0.806 112 A HN 1.912 nan 8.150 nan 0.000 0.448 113 G N -1.952 106.870 108.800 0.038 0.000 2.211 113 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.201 113 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.201 113 G C 0.929 175.840 174.900 0.018 0.000 0.997 113 G CA 0.905 46.022 45.100 0.030 0.000 0.652 113 G HN 0.474 nan 8.290 nan 0.000 0.500 114 Q N 0.382 120.197 119.800 0.025 0.000 2.050 114 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 114 Q C 2.003 178.002 176.000 -0.000 0.000 0.980 114 Q CA 2.666 58.472 55.803 0.005 0.000 0.840 114 Q CB -0.505 28.237 28.738 0.007 0.000 0.898 114 Q HN 0.768 nan 8.270 nan 0.000 0.424 115 H N -1.037 117.997 119.070 -0.060 0.000 2.387 115 H HA -0.004 4.551 4.556 -0.000 0.000 0.299 115 H C 1.669 176.970 175.328 -0.046 0.000 1.090 115 H CA 1.978 57.986 56.048 -0.067 0.000 1.332 115 H CB -0.507 29.212 29.762 -0.071 0.000 1.386 115 H HN 0.374 nan 8.280 nan 0.000 0.516 116 G N -0.281 108.458 108.800 -0.102 0.000 2.418 116 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 116 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 116 G C 1.849 176.661 174.900 -0.148 0.000 1.158 116 G CA 1.105 46.123 45.100 -0.136 0.000 0.771 116 G HN 0.384 nan 8.290 nan 0.000 0.545 117 V N 1.512 121.363 119.914 -0.106 0.000 2.343 117 V HA -0.114 4.006 4.120 -0.000 0.000 0.247 117 V C 3.323 179.346 176.094 -0.119 0.000 1.051 117 V CA 1.974 64.216 62.300 -0.097 0.000 1.036 117 V CB -0.796 30.982 31.823 -0.075 0.000 0.654 117 V HN 0.479 nan 8.190 nan 0.000 0.451 118 A N -0.291 122.442 122.820 -0.146 0.000 1.902 118 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 118 A C 2.485 179.978 177.584 -0.152 0.000 1.181 118 A CA 2.347 54.303 52.037 -0.135 0.000 0.623 118 A CB -0.714 18.214 19.000 -0.121 0.000 0.818 118 A HN 0.519 nan 8.150 nan 0.000 0.443 119 S N -0.124 115.407 115.700 -0.281 0.000 2.368 119 S HA -0.005 4.465 4.470 -0.000 0.000 0.224 119 S C 2.282 176.812 174.600 -0.117 0.000 1.029 119 S CA 1.129 59.188 58.200 -0.235 0.000 0.988 119 S CB -0.441 62.555 63.200 -0.341 0.000 0.838 119 S HN 0.795 nan 8.310 nan 0.000 0.462 120 A N 1.928 124.682 122.820 -0.110 0.000 1.898 120 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 120 A C 2.185 179.748 177.584 -0.035 0.000 1.181 120 A CA 1.539 53.534 52.037 -0.070 0.000 0.620 120 A CB -0.717 18.237 19.000 -0.076 0.000 0.819 120 A HN 0.521 nan 8.150 nan 0.000 0.442 121 L N -1.733 119.480 121.223 -0.017 0.000 2.056 121 L HA 0.166 4.505 4.340 -0.000 0.000 0.207 121 L C 2.419 179.334 176.870 0.074 0.000 1.078 121 L CA 2.076 56.953 54.840 0.062 0.000 0.749 121 L CB -1.350 40.772 42.059 0.105 0.000 0.901 121 L HN 0.161 nan 8.230 nan 0.000 0.433 122 A N -0.060 122.783 122.820 0.038 0.000 1.902 122 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 122 A C 2.433 179.992 177.584 -0.041 0.000 1.181 122 A CA 1.966 54.001 52.037 -0.002 0.000 0.623 122 A CB -1.006 17.995 19.000 0.001 0.000 0.818 122 A HN 0.552 nan 8.150 nan 0.000 0.443 123 S N -0.135 115.548 115.700 -0.028 0.000 2.368 123 S HA 0.006 4.475 4.470 -0.000 0.000 0.224 123 S C 2.325 176.906 174.600 -0.032 0.000 1.029 123 S CA 1.069 59.253 58.200 -0.027 0.000 0.988 123 S CB -0.463 62.724 63.200 -0.021 0.000 0.838 123 S HN 0.790 nan 8.310 nan 0.000 0.462 124 A N 1.634 124.438 122.820 -0.025 0.000 1.865 124 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 124 A C 2.142 179.701 177.584 -0.042 0.000 1.191 124 A CA 1.594 53.619 52.037 -0.021 0.000 0.623 124 A CB -0.879 18.122 19.000 0.001 0.000 0.826 124 A HN 0.419 nan 8.150 nan 0.000 0.444 125 L N -0.639 120.541 121.223 -0.073 0.000 2.042 125 L HA -0.048 4.291 4.340 -0.000 0.000 0.210 125 L C 1.784 178.566 176.870 -0.145 0.000 1.076 125 L CA 1.827 56.570 54.840 -0.163 0.000 0.749 125 L CB -0.284 41.540 42.059 -0.392 0.000 0.893 125 L HN 0.379 nan 8.230 nan 0.000 0.432 126 L N -0.679 120.473 121.223 -0.119 0.000 2.700 126 L HA 0.352 4.691 4.340 -0.000 0.000 0.234 126 L C 1.172 178.007 176.870 -0.057 0.000 1.156 126 L CA 0.332 55.113 54.840 -0.098 0.000 0.946 126 L CB -0.385 41.613 42.059 -0.102 0.000 1.216 126 L HN 0.460 nan 8.230 nan 0.000 0.493 127 G N 1.059 109.831 108.800 -0.046 0.000 2.198 127 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 127 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 127 G C -0.077 174.815 174.900 -0.013 0.000 1.042 127 G CA -0.035 45.049 45.100 -0.027 0.000 0.791 127 G HN 0.250 nan 8.290 nan 0.000 0.502 128 L N -0.562 120.655 121.223 -0.010 0.000 2.322 128 L HA 0.488 4.828 4.340 -0.000 0.000 0.279 128 L C 0.822 177.695 176.870 0.006 0.000 1.036 128 L CA -0.927 53.917 54.840 0.007 0.000 0.807 128 L CB 1.434 43.504 42.059 0.017 0.000 1.226 128 L HN -0.024 nan 8.230 nan 0.000 0.433 129 K N 1.828 122.237 120.400 0.015 0.000 2.316 129 K HA 0.229 4.549 4.320 -0.000 0.000 0.289 129 K C -0.867 175.739 176.600 0.010 0.000 1.070 129 K CA -0.253 56.040 56.287 0.010 0.000 0.928 129 K CB 0.960 33.470 32.500 0.016 0.000 1.039 129 K HN 0.516 nan 8.250 nan 0.000 0.480 130 C N 5.256 124.550 119.300 -0.010 0.000 2.303 130 C HA 0.511 4.971 4.460 -0.000 0.000 0.326 130 C C -0.444 174.516 174.990 -0.049 0.000 1.285 130 C CA -0.705 58.300 59.018 -0.022 0.000 1.675 130 C CB -0.162 27.557 27.740 -0.035 0.000 2.289 130 C HN 0.947 nan 8.230 nan 0.000 0.512 131 R N 5.611 126.071 120.500 -0.066 0.000 2.621 131 R HA 0.845 5.184 4.340 -0.000 0.000 0.292 131 R C -1.676 174.496 176.300 -0.214 0.000 0.969 131 R CA -0.741 55.267 56.100 -0.153 0.000 0.887 131 R CB 1.054 31.248 30.300 -0.177 0.000 1.180 131 R HN 0.660 nan 8.270 nan 0.000 0.450 132 I N 2.867 123.269 120.570 -0.280 0.000 2.498 132 I HA 0.339 4.509 4.170 -0.000 0.000 0.290 132 I C -1.073 174.866 176.117 -0.296 0.000 1.032 132 I CA -1.224 59.958 61.300 -0.197 0.000 1.073 132 I CB 1.797 39.738 38.000 -0.097 0.000 1.251 132 I HN 0.559 nan 8.210 nan 0.000 0.426 133 Y N 6.119 126.428 120.300 0.015 0.000 2.330 133 Y HA 0.647 5.197 4.550 -0.000 0.000 0.336 133 Y C 0.073 175.971 175.900 -0.004 0.000 1.036 133 Y CA -0.522 57.577 58.100 -0.002 0.000 1.125 133 Y CB 1.741 40.196 38.460 -0.007 0.000 1.194 133 Y HN 0.441 nan 8.280 nan 0.000 0.469 134 M N 2.025 121.699 119.600 0.123 0.000 2.322 134 M HA 0.538 5.018 4.480 -0.000 0.000 0.286 134 M C -0.298 176.009 176.300 0.011 0.000 1.111 134 M CA -0.605 54.728 55.300 0.055 0.000 0.941 134 M CB 1.579 34.194 32.600 0.025 0.000 1.671 134 M HN 0.810 nan 8.290 nan 0.000 0.470 135 G N 2.141 110.941 108.800 -0.000 0.000 2.305 135 G HA2 0.353 4.313 3.960 -0.000 0.000 0.243 135 G HA3 0.353 4.313 3.960 -0.000 0.000 0.243 135 G C 0.835 175.701 174.900 -0.057 0.000 1.288 135 G CA 0.301 45.380 45.100 -0.036 0.000 0.901 135 G HN 1.078 nan 8.290 nan 0.000 0.516 136 A N 2.782 125.526 122.820 -0.128 0.000 1.958 136 A HA -0.158 4.161 4.320 -0.000 0.000 0.221 136 A C 2.348 179.931 177.584 -0.002 0.000 1.178 136 A CA 1.988 53.967 52.037 -0.097 0.000 0.642 136 A CB -0.284 18.655 19.000 -0.102 0.000 0.816 136 A HN 0.706 nan 8.150 nan 0.000 0.453 137 K N -0.808 119.598 120.400 0.010 0.000 2.097 137 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 137 K C 1.355 177.968 176.600 0.021 0.000 1.049 137 K CA 1.396 57.698 56.287 0.024 0.000 0.933 137 K CB -0.207 32.309 32.500 0.026 0.000 0.717 137 K HN 0.455 nan 8.250 nan 0.000 0.442 138 D N 0.365 120.773 120.400 0.014 0.000 2.162 138 D HA -0.086 4.554 4.640 -0.000 0.000 0.203 138 D C 1.994 178.306 176.300 0.019 0.000 0.967 138 D CA 0.673 54.684 54.000 0.018 0.000 0.840 138 D CB -0.095 40.716 40.800 0.018 0.000 0.972 138 D HN -0.097 nan 8.370 nan 0.000 0.482 139 V N 1.175 121.095 119.914 0.011 0.000 2.287 139 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 139 V C 2.493 178.600 176.094 0.022 0.000 1.053 139 V CA 1.834 64.143 62.300 0.015 0.000 1.027 139 V CB -0.414 31.412 31.823 0.005 0.000 0.646 139 V HN 0.106 nan 8.190 nan 0.000 0.447 140 E N 0.465 120.678 120.200 0.022 0.000 2.058 140 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 140 E C 2.326 178.936 176.600 0.017 0.000 0.997 140 E CA 1.574 57.986 56.400 0.022 0.000 0.801 140 E CB -0.228 29.488 29.700 0.026 0.000 0.746 140 E HN 0.468 nan 8.360 nan 0.000 0.450 141 R N -0.663 119.851 120.500 0.022 0.000 2.235 141 R HA 0.037 4.377 4.340 -0.000 0.000 0.213 141 R C 0.530 176.848 176.300 0.030 0.000 1.059 141 R CA 0.714 56.829 56.100 0.025 0.000 0.997 141 R CB 0.254 30.573 30.300 0.032 0.000 0.884 141 R HN 0.165 nan 8.270 nan 0.000 0.462 142 Q N -0.685 119.134 119.800 0.031 0.000 2.318 142 Q HA 0.229 4.569 4.340 -0.000 0.000 0.371 142 Q C 0.386 176.414 176.000 0.047 0.000 0.896 142 Q CA -0.059 55.770 55.803 0.042 0.000 1.134 142 Q CB 1.642 30.405 28.738 0.041 0.000 1.329 142 Q HN 0.046 nan 8.270 nan 0.000 0.413 143 S N 1.591 117.313 115.700 0.035 0.000 2.374 143 S HA -0.127 4.343 4.470 -0.000 0.000 0.227 143 S C -0.766 173.887 174.600 0.088 0.000 1.037 143 S CA 1.427 59.652 58.200 0.041 0.000 1.024 143 S CB -0.787 62.411 63.200 -0.004 0.000 0.861 143 S HN 0.364 nan 8.310 nan 0.000 0.456 144 P HA -0.045 nan 4.420 nan 0.000 0.214 144 P C 1.103 178.489 177.300 0.143 0.000 1.163 144 P CA 1.004 64.187 63.100 0.139 0.000 0.883 144 P CB -0.118 31.659 31.700 0.127 0.000 0.788 145 N N -0.807 117.949 118.700 0.093 0.000 2.166 145 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 145 N C 1.766 177.309 175.510 0.054 0.000 1.019 145 N CA 0.838 53.923 53.050 0.059 0.000 0.856 145 N CB -1.145 37.367 38.487 0.041 0.000 0.993 145 N HN -0.044 nan 8.380 nan 0.000 0.426 146 V N 0.860 120.819 119.914 0.076 0.000 2.332 146 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 146 V C 2.015 178.179 176.094 0.117 0.000 1.055 146 V CA 1.351 63.695 62.300 0.075 0.000 1.038 146 V CB -0.624 31.244 31.823 0.075 0.000 0.651 146 V HN 0.180 nan 8.190 nan 0.000 0.450 147 F N 1.181 121.129 119.950 -0.004 0.000 2.186 147 F HA -0.097 4.429 4.527 -0.000 0.000 0.299 147 F C 2.502 178.301 175.800 -0.003 0.000 1.090 147 F CA 1.449 59.447 58.000 -0.003 0.000 1.307 147 F CB -0.393 38.607 39.000 -0.000 0.000 1.019 147 F HN -0.006 nan 8.300 nan 0.000 0.489 148 R N -0.266 120.161 120.500 -0.122 0.000 2.083 148 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 148 R C 2.311 178.503 176.300 -0.179 0.000 1.137 148 R CA 2.174 58.158 56.100 -0.193 0.000 0.951 148 R CB -0.589 29.668 30.300 -0.071 0.000 0.851 148 R HN 0.342 nan 8.270 nan 0.000 0.434 149 M N -0.141 119.395 119.600 -0.105 0.000 2.108 149 M HA -0.210 4.269 4.480 -0.000 0.000 0.261 149 M C 2.315 178.550 176.300 -0.108 0.000 1.066 149 M CA 1.808 57.054 55.300 -0.091 0.000 1.107 149 M CB -0.295 32.269 32.600 -0.060 0.000 1.356 149 M HN 0.096 nan 8.290 nan 0.000 0.406 150 R N 0.195 120.624 120.500 -0.118 0.000 2.092 150 R HA -0.029 4.310 4.340 -0.000 0.000 0.231 150 R C 2.121 178.315 176.300 -0.177 0.000 1.119 150 R CA 1.081 57.117 56.100 -0.107 0.000 0.970 150 R CB -0.406 29.879 30.300 -0.025 0.000 0.864 150 R HN 0.350 nan 8.270 nan 0.000 0.440 151 L N 0.088 121.107 121.223 -0.340 0.000 2.131 151 L HA -0.151 4.188 4.340 -0.000 0.000 0.210 151 L C 2.050 178.821 176.870 -0.166 0.000 1.092 151 L CA 1.242 55.890 54.840 -0.319 0.000 0.759 151 L CB -0.139 41.642 42.059 -0.463 0.000 0.903 151 L HN 0.240 nan 8.230 nan 0.000 0.435 152 M N -1.014 118.503 119.600 -0.138 0.000 2.563 152 M HA 0.132 4.612 4.480 -0.000 0.000 0.231 152 M C 1.240 177.504 176.300 -0.060 0.000 1.136 152 M CA 0.666 55.919 55.300 -0.077 0.000 1.026 152 M CB 0.273 32.836 32.600 -0.062 0.000 1.597 152 M HN 0.375 nan 8.290 nan 0.000 0.495 153 G N 0.566 109.326 108.800 -0.066 0.000 2.157 153 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.248 153 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.248 153 G C 0.145 175.018 174.900 -0.044 0.000 0.979 153 G CA 0.056 45.128 45.100 -0.046 0.000 0.650 153 G HN 0.674 nan 8.290 nan 0.000 0.529 154 A N -0.107 122.680 122.820 -0.055 0.000 2.340 154 A HA 0.649 4.969 4.320 -0.000 0.000 0.268 154 A C 0.447 177.996 177.584 -0.058 0.000 1.100 154 A CA 0.394 52.396 52.037 -0.058 0.000 0.803 154 A CB 0.544 19.503 19.000 -0.068 0.000 1.043 154 A HN 0.620 nan 8.150 nan 0.000 0.488 155 E N 1.765 121.924 120.200 -0.068 0.000 2.167 155 E HA 0.441 4.790 4.350 -0.000 0.000 0.284 155 E C -1.304 175.229 176.600 -0.112 0.000 1.016 155 E CA -0.381 55.974 56.400 -0.076 0.000 0.817 155 E CB 0.785 30.439 29.700 -0.078 0.000 1.080 155 E HN 0.360 nan 8.360 nan 0.000 0.397 156 V N 6.980 126.844 119.914 -0.084 0.000 2.370 156 V HA 0.313 4.432 4.120 -0.000 0.000 0.279 156 V C 0.060 176.098 176.094 -0.093 0.000 1.029 156 V CA -0.506 61.740 62.300 -0.091 0.000 0.870 156 V CB 1.093 32.892 31.823 -0.039 0.000 0.984 156 V HN 0.624 nan 8.190 nan 0.000 0.451 157 I N 7.657 128.136 120.570 -0.152 0.000 2.359 157 I HA 0.366 4.535 4.170 -0.000 0.000 0.284 157 I C -2.407 173.709 176.117 -0.001 0.000 1.018 157 I CA -2.035 59.209 61.300 -0.094 0.000 1.173 157 I CB 1.961 39.832 38.000 -0.215 0.000 1.326 157 I HN 0.419 nan 8.210 nan 0.000 0.462 158 P HA 0.084 nan 4.420 nan 0.000 0.268 158 P C -0.644 176.532 177.300 -0.207 0.000 1.205 158 P CA -0.110 62.918 63.100 -0.121 0.000 0.771 158 P CB 0.781 32.386 31.700 -0.157 0.000 0.858 159 V N 4.602 124.376 119.914 -0.235 0.000 2.357 159 V HA 0.164 4.283 4.120 -0.000 0.000 0.284 159 V C 1.058 176.975 176.094 -0.295 0.000 1.018 159 V CA -0.251 61.940 62.300 -0.183 0.000 0.841 159 V CB 0.757 32.558 31.823 -0.037 0.000 0.991 159 V HN 0.655 nan 8.190 nan 0.000 0.437 160 H N 1.194 120.287 119.070 0.039 0.000 2.592 160 H HA 0.118 4.673 4.556 -0.000 0.000 0.265 160 H C 1.256 176.595 175.328 0.018 0.000 0.955 160 H CA 0.351 56.415 56.048 0.027 0.000 1.175 160 H CB 0.556 30.334 29.762 0.026 0.000 1.433 160 H HN 0.647 nan 8.280 nan 0.000 0.537 161 S N 0.468 116.225 115.700 0.095 0.000 2.568 161 S HA 0.350 4.820 4.470 -0.000 0.000 0.282 161 S C 1.332 175.953 174.600 0.035 0.000 1.338 161 S CA 0.043 58.276 58.200 0.056 0.000 1.045 161 S CB 1.494 64.712 63.200 0.030 0.000 0.873 161 S HN 0.659 nan 8.310 nan 0.000 0.516 162 G N 2.245 111.064 108.800 0.031 0.000 2.574 162 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.286 162 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.286 162 G C 0.922 175.834 174.900 0.020 0.000 1.212 162 G CA 0.731 45.843 45.100 0.020 0.000 0.979 162 G HN 1.930 nan 8.290 nan 0.000 0.557 163 S N 0.619 116.325 115.700 0.010 0.000 2.607 163 S HA 0.427 4.897 4.470 -0.000 0.000 0.224 163 S C 1.753 176.361 174.600 0.014 0.000 0.969 163 S CA 1.424 59.629 58.200 0.009 0.000 0.927 163 S CB -0.187 63.011 63.200 -0.004 0.000 0.772 163 S HN 2.616 nan 8.310 nan 0.000 0.533 164 A N 0.754 123.582 122.820 0.014 0.000 2.687 164 A HA -0.113 4.207 4.320 -0.000 0.000 0.299 164 A C 0.808 178.391 177.584 -0.002 0.000 1.497 164 A CA 1.041 53.080 52.037 0.004 0.000 0.751 164 A CB -2.531 16.485 19.000 0.026 0.000 1.048 164 A HN 1.260 nan 8.150 nan 0.000 0.464 165 T N -4.585 109.968 114.554 -0.002 0.000 2.604 165 T HA 0.647 4.997 4.350 -0.000 0.000 0.267 165 T C 1.043 175.743 174.700 0.000 0.000 0.923 165 T CA -0.044 62.056 62.100 0.001 0.000 1.077 165 T CB 0.174 69.043 68.868 0.002 0.000 1.392 165 T HN 1.228 nan 8.240 nan 0.000 0.531 166 L N 1.557 122.784 121.223 0.007 0.000 2.042 166 L HA 0.035 4.375 4.340 -0.000 0.000 0.210 166 L C 2.641 179.507 176.870 -0.007 0.000 1.076 166 L CA 2.474 57.324 54.840 0.016 0.000 0.749 166 L CB -1.178 40.909 42.059 0.047 0.000 0.893 166 L HN 0.881 nan 8.230 nan 0.000 0.432 167 K N -1.421 118.974 120.400 -0.008 0.000 2.147 167 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 167 K C 1.507 178.093 176.600 -0.023 0.000 1.049 167 K CA 1.736 58.022 56.287 -0.002 0.000 0.936 167 K CB -0.677 31.855 32.500 0.054 0.000 0.722 167 K HN 0.413 nan 8.250 nan 0.000 0.446 168 D N 1.514 121.904 120.400 -0.016 0.000 2.149 168 D HA -0.073 4.567 4.640 -0.000 0.000 0.201 168 D C 2.136 178.405 176.300 -0.052 0.000 0.972 168 D CA 1.342 55.327 54.000 -0.024 0.000 0.835 168 D CB -0.102 40.691 40.800 -0.012 0.000 0.966 168 D HN 0.411 nan 8.370 nan 0.000 0.476 169 A N 1.083 123.884 122.820 -0.033 0.000 1.908 169 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 169 A C 2.574 180.119 177.584 -0.064 0.000 1.181 169 A CA 1.256 53.284 52.037 -0.015 0.000 0.627 169 A CB -1.032 17.998 19.000 0.051 0.000 0.818 169 A HN 0.319 nan 8.150 nan 0.000 0.445 170 C N -0.192 119.048 119.300 -0.100 0.000 2.413 170 C HA -0.119 4.341 4.460 -0.000 0.000 0.276 170 C C 2.701 177.621 174.990 -0.115 0.000 1.248 170 C CA 1.184 60.099 59.018 -0.171 0.000 1.742 170 C CB -1.476 25.915 27.740 -0.582 0.000 2.017 170 C HN 0.664 nan 8.230 nan 0.000 0.481 171 N N 0.888 119.518 118.700 -0.115 0.000 2.084 171 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 171 N C 1.667 177.083 175.510 -0.157 0.000 1.030 171 N CA 1.418 54.419 53.050 -0.082 0.000 0.849 171 N CB -0.650 37.808 38.487 -0.048 0.000 1.012 171 N HN 0.571 nan 8.380 nan 0.000 0.423 172 E N 0.847 120.902 120.200 -0.242 0.000 2.150 172 E HA 0.044 4.394 4.350 -0.000 0.000 0.193 172 E C 1.744 177.937 176.600 -0.678 0.000 0.985 172 E CA 0.944 57.081 56.400 -0.439 0.000 0.814 172 E CB -0.234 29.146 29.700 -0.534 0.000 0.752 172 E HN 0.338 nan 8.360 nan 0.000 0.466 173 A N 0.224 122.709 122.820 -0.558 0.000 1.898 173 A HA -0.121 4.198 4.320 -0.000 0.000 0.216 173 A C 2.214 179.493 177.584 -0.508 0.000 1.181 173 A CA 1.238 52.971 52.037 -0.506 0.000 0.620 173 A CB -0.641 18.134 19.000 -0.375 0.000 0.819 173 A HN 0.323 nan 8.150 nan 0.000 0.442 174 L N -1.148 119.841 121.223 -0.389 0.000 2.027 174 L HA -0.185 4.154 4.340 -0.000 0.000 0.206 174 L C 2.850 179.688 176.870 -0.053 0.000 1.074 174 L CA 1.442 56.181 54.840 -0.168 0.000 0.745 174 L CB -0.496 41.539 42.059 -0.041 0.000 0.898 174 L HN 0.348 nan 8.230 nan 0.000 0.433 175 R N -0.149 120.291 120.500 -0.101 0.000 2.133 175 R HA -0.263 4.077 4.340 -0.000 0.000 0.245 175 R C 2.075 178.364 176.300 -0.018 0.000 1.137 175 R CA 2.109 58.171 56.100 -0.064 0.000 0.947 175 R CB -0.607 29.632 30.300 -0.102 0.000 0.865 175 R HN 0.387 nan 8.270 nan 0.000 0.437 176 D N -0.233 120.140 120.400 -0.045 0.000 2.084 176 D HA -0.202 4.438 4.640 -0.000 0.000 0.194 176 D C 1.660 178.077 176.300 0.195 0.000 0.990 176 D CA 0.978 55.022 54.000 0.073 0.000 0.826 176 D CB -0.259 40.610 40.800 0.115 0.000 0.971 176 D HN 0.220 nan 8.370 nan 0.000 0.453 177 W N 1.648 122.930 121.300 -0.030 0.000 2.342 177 W HA -0.118 4.542 4.660 -0.000 0.000 0.297 177 W C 2.628 179.237 176.519 0.149 0.000 1.213 177 W CA 1.708 59.086 57.345 0.055 0.000 1.251 177 W CB -0.726 28.721 29.460 -0.021 0.000 1.136 177 W HN -0.088 nan 8.180 nan 0.000 0.526 178 S N -0.301 115.479 115.700 0.134 0.000 2.372 178 S HA -0.222 4.248 4.470 -0.000 0.000 0.227 178 S C 1.928 176.609 174.600 0.135 0.000 1.044 178 S CA 1.821 60.045 58.200 0.040 0.000 1.050 178 S CB -1.122 62.093 63.200 0.025 0.000 0.901 178 S HN 0.462 nan 8.310 nan 0.000 0.447 179 G N -0.176 108.690 108.800 0.110 0.000 2.777 179 G HA2 0.081 4.041 3.960 -0.000 0.000 0.211 179 G HA3 0.081 4.041 3.960 -0.000 0.000 0.211 179 G C 1.060 175.980 174.900 0.034 0.000 1.149 179 G CA 0.721 45.863 45.100 0.070 0.000 0.785 179 G HN 0.633 nan 8.290 nan 0.000 0.536 180 S N -0.552 115.201 115.700 0.088 0.000 2.780 180 S HA 0.102 4.572 4.470 -0.000 0.000 0.248 180 S C 1.623 176.264 174.600 0.067 0.000 1.036 180 S CA -0.083 58.155 58.200 0.064 0.000 1.061 180 S CB -0.608 62.682 63.200 0.151 0.000 1.037 180 S HN 0.508 nan 8.310 nan 0.000 0.584 181 Y N 2.121 122.407 120.300 -0.024 0.000 2.483 181 Y HA 0.135 4.684 4.550 -0.001 0.000 0.291 181 Y C 1.631 177.568 175.900 0.061 0.000 1.143 181 Y CA 1.031 59.093 58.100 -0.062 0.000 1.289 181 Y CB -0.891 37.171 38.460 -0.663 0.000 0.983 181 Y HN 0.306 nan 8.280 nan 0.000 0.556 182 E N 0.597 120.521 120.200 -0.459 0.000 2.153 182 E HA -0.128 4.221 4.350 -0.000 0.000 0.194 182 E C 1.577 178.165 176.600 -0.021 0.000 0.988 182 E CA 1.804 58.050 56.400 -0.256 0.000 0.811 182 E CB -0.197 29.318 29.700 -0.308 0.000 0.746 182 E HN 0.743 nan 8.360 nan 0.000 0.466 183 T N -2.766 111.807 114.554 0.031 0.000 3.004 183 T HA 0.497 4.846 4.350 -0.000 0.000 0.266 183 T C 0.304 175.100 174.700 0.160 0.000 0.986 183 T CA -0.131 62.019 62.100 0.083 0.000 0.902 183 T CB 0.826 69.723 68.868 0.048 0.000 1.118 183 T HN 0.123 nan 8.240 nan 0.000 0.522 184 A N 1.285 124.256 122.820 0.251 0.000 2.355 184 A HA 0.711 5.031 4.320 -0.000 0.000 0.317 184 A C -1.175 176.719 177.584 0.516 0.000 1.094 184 A CA -0.723 51.509 52.037 0.324 0.000 0.764 184 A CB 0.933 20.120 19.000 0.311 0.000 1.230 184 A HN 0.544 nan 8.150 nan 0.000 0.448 185 H N 0.995 120.238 119.070 0.288 0.000 2.458 185 H HA 0.507 5.062 4.556 -0.001 0.000 0.330 185 H C -1.510 173.806 175.328 -0.020 0.000 1.111 185 H CA -0.494 55.698 56.048 0.240 0.000 1.245 185 H CB 0.830 30.696 29.762 0.174 0.000 1.456 185 H HN 0.570 nan 8.280 nan 0.000 0.488 186 Y N 5.756 125.226 120.300 -1.384 0.000 2.452 186 Y HA 0.219 4.769 4.550 -0.000 0.000 0.348 186 Y C -0.586 174.696 175.900 -1.030 0.000 0.985 186 Y CA -1.186 56.151 58.100 -1.272 0.000 1.214 186 Y CB 0.290 37.652 38.460 -1.830 0.000 1.136 186 Y HN 0.782 nan 8.280 nan 0.000 0.523 187 M N 8.644 127.853 119.600 -0.652 0.000 2.852 187 M HA 0.297 4.777 4.480 -0.000 0.000 0.321 187 M C -1.334 174.674 176.300 -0.486 0.000 1.337 187 M CA -0.189 54.901 55.300 -0.351 0.000 1.406 187 M CB -0.265 32.334 32.600 -0.003 0.000 1.152 187 M HN 0.738 nan 8.290 nan 0.000 0.508 188 L N 2.821 123.458 121.223 -0.977 0.000 2.456 188 L HA 0.288 4.628 4.340 -0.000 0.000 0.272 188 L C 1.182 177.698 176.870 -0.590 0.000 1.189 188 L CA 0.225 54.458 54.840 -1.012 0.000 0.846 188 L CB 0.996 42.238 42.059 -1.362 0.000 1.111 188 L HN 0.818 nan 8.230 nan 0.000 0.475 189 G N 1.838 110.172 108.800 -0.778 0.000 3.088 189 G HA2 0.099 4.059 3.960 -0.000 0.000 0.217 189 G HA3 0.099 4.059 3.960 -0.000 0.000 0.217 189 G C 0.288 174.821 174.900 -0.612 0.000 1.159 189 G CA 0.419 44.731 45.100 -1.312 0.000 0.760 189 G HN 0.574 nan 8.290 nan 0.000 0.550 190 T N -1.633 112.673 114.554 -0.414 0.000 2.787 190 T HA 0.526 4.876 4.350 -0.000 0.000 0.297 190 T C -0.584 174.004 174.700 -0.188 0.000 1.221 190 T CA 0.235 62.168 62.100 -0.278 0.000 1.006 190 T CB 1.304 69.941 68.868 -0.386 0.000 1.328 190 T HN 0.205 nan 8.240 nan 0.000 0.509 191 A N 1.235 123.989 122.820 -0.111 0.000 3.033 191 A HA 0.711 5.031 4.320 -0.000 0.000 0.250 191 A C 0.549 178.104 177.584 -0.048 0.000 1.633 191 A CA 0.393 52.392 52.037 -0.063 0.000 1.290 191 A CB -1.503 17.473 19.000 -0.041 0.000 1.048 191 A HN 1.119 nan 8.150 nan 0.000 0.648 192 A N -0.863 121.915 122.820 -0.070 0.000 2.525 192 A HA 0.968 5.287 4.320 -0.000 0.000 0.291 192 A C 0.528 178.081 177.584 -0.051 0.000 1.268 192 A CA -0.092 51.956 52.037 0.018 0.000 0.712 192 A CB 0.200 19.248 19.000 0.079 0.000 1.320 192 A HN 2.281 nan 8.150 nan 0.000 0.456 193 G N -1.329 107.424 108.800 -0.078 0.000 2.698 193 G HA2 0.054 4.014 3.960 -0.000 0.000 0.225 193 G HA3 0.054 4.014 3.960 -0.000 0.000 0.225 193 G C -3.063 171.717 174.900 -0.201 0.000 1.345 193 G CA -0.232 44.523 45.100 -0.574 0.000 0.871 193 G HN 0.973 nan 8.290 nan 0.000 0.540 194 P HA 0.287 nan 4.420 nan 0.000 0.274 194 P C -0.107 177.257 177.300 0.108 0.000 1.231 194 P CA -0.112 62.998 63.100 0.015 0.000 0.790 194 P CB 0.676 32.397 31.700 0.036 0.000 0.951 195 H N 4.573 123.623 119.070 -0.034 0.000 3.064 195 H HA -0.006 4.550 4.556 -0.001 0.000 0.329 195 H C -1.368 173.910 175.328 -0.083 0.000 1.020 195 H CA -0.347 55.655 56.048 -0.076 0.000 1.402 195 H CB 0.270 29.948 29.762 -0.139 0.000 1.379 195 H HN 0.267 nan 8.280 nan 0.000 0.594 196 P HA -0.026 nan 4.420 nan 0.000 0.261 196 P C 0.382 177.313 177.300 -0.615 0.000 1.352 196 P CA 0.339 62.786 63.100 -1.089 0.000 0.891 196 P CB 0.056 31.123 31.700 -1.056 0.000 1.383 197 Y N 1.664 121.772 120.300 -0.320 0.000 2.128 197 Y HA -0.120 4.430 4.550 -0.000 0.000 0.284 197 Y C -0.221 175.540 175.900 -0.231 0.000 1.154 197 Y CA 2.152 60.082 58.100 -0.285 0.000 1.149 197 Y CB -2.456 35.848 38.460 -0.259 0.000 0.976 197 Y HN 0.172 nan 8.280 nan 0.000 0.505 198 P HA -0.135 nan 4.420 nan 0.000 0.216 198 P C 1.523 178.817 177.300 -0.010 0.000 1.150 198 P CA 2.309 65.422 63.100 0.022 0.000 0.837 198 P CB -0.077 31.703 31.700 0.134 0.000 0.786 199 T N -0.693 113.857 114.554 -0.007 0.000 2.737 199 T HA -0.066 4.284 4.350 -0.000 0.000 0.265 199 T C 1.774 176.246 174.700 -0.380 0.000 1.038 199 T CA 1.007 63.063 62.100 -0.074 0.000 1.144 199 T CB -0.836 67.998 68.868 -0.057 0.000 0.866 199 T HN 0.050 nan 8.240 nan 0.000 0.434 200 I N 0.873 121.011 120.570 -0.721 0.000 2.179 200 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 200 I C 2.484 178.239 176.117 -0.602 0.000 1.088 200 I CA 1.006 61.639 61.300 -1.111 0.000 1.357 200 I CB -0.467 36.865 38.000 -1.112 0.000 1.051 200 I HN 0.083 nan 8.210 nan 0.000 0.409 201 V N 0.923 120.674 119.914 -0.272 0.000 2.287 201 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 201 V C 2.632 178.733 176.094 0.012 0.000 1.053 201 V CA 2.094 64.362 62.300 -0.054 0.000 1.027 201 V CB -0.888 30.923 31.823 -0.021 0.000 0.646 201 V HN 0.442 nan 8.190 nan 0.000 0.447 202 R N 0.118 120.601 120.500 -0.029 0.000 2.094 202 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 202 R C 2.284 178.642 176.300 0.096 0.000 1.137 202 R CA 1.962 58.080 56.100 0.029 0.000 0.943 202 R CB -0.252 30.055 30.300 0.012 0.000 0.850 202 R HN 0.481 nan 8.270 nan 0.000 0.433 203 E N -0.144 120.091 120.200 0.059 0.000 2.150 203 E HA -0.145 4.204 4.350 -0.000 0.000 0.193 203 E C 1.566 178.423 176.600 0.428 0.000 0.985 203 E CA 0.835 57.352 56.400 0.195 0.000 0.814 203 E CB -0.077 29.766 29.700 0.238 0.000 0.752 203 E HN 0.357 nan 8.360 nan 0.000 0.466 204 F N 0.473 120.587 119.950 0.273 0.000 2.797 204 F HA 0.100 4.627 4.527 -0.000 0.000 0.302 204 F C 1.815 177.801 175.800 0.309 0.000 1.130 204 F CA 0.342 58.570 58.000 0.379 0.000 1.387 204 F CB 0.169 39.345 39.000 0.293 0.000 1.107 204 F HN -0.061 nan 8.300 nan 0.000 0.577 205 Q N -0.317 119.703 119.800 0.366 0.000 2.246 205 Q HA 0.091 4.430 4.340 -0.000 0.000 0.222 205 Q C 2.032 178.141 176.000 0.182 0.000 0.851 205 Q CA 0.030 55.983 55.803 0.251 0.000 0.945 205 Q CB 0.264 29.124 28.738 0.203 0.000 1.122 205 Q HN 0.504 nan 8.270 nan 0.000 0.508 206 R N 0.739 121.353 120.500 0.189 0.000 2.280 206 R HA -0.018 4.322 4.340 -0.000 0.000 0.207 206 R C 1.990 178.345 176.300 0.093 0.000 1.043 206 R CA 0.873 57.053 56.100 0.133 0.000 1.006 206 R CB -0.411 29.970 30.300 0.135 0.000 0.885 206 R HN 0.060 nan 8.270 nan 0.000 0.467 207 M N 0.421 120.076 119.600 0.091 0.000 2.358 207 M HA -0.065 4.414 4.480 -0.000 0.000 0.264 207 M C 1.673 177.999 176.300 0.044 0.000 1.064 207 M CA 1.522 56.845 55.300 0.038 0.000 1.093 207 M CB -0.814 31.781 32.600 -0.008 0.000 1.401 207 M HN 0.230 nan 8.290 nan 0.000 0.440 208 I N 1.574 122.188 120.570 0.074 0.000 2.099 208 I HA -0.208 3.962 4.170 -0.000 0.000 0.239 208 I C 2.852 179.028 176.117 0.099 0.000 1.066 208 I CA 1.735 63.085 61.300 0.083 0.000 1.324 208 I CB -1.233 36.820 38.000 0.088 0.000 1.037 208 I HN 0.440 nan 8.210 nan 0.000 0.401 209 G N -0.064 108.801 108.800 0.110 0.000 2.408 209 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 209 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 209 G C 1.507 176.361 174.900 -0.077 0.000 1.150 209 G CA 0.481 45.655 45.100 0.123 0.000 0.776 209 G HN 0.402 nan 8.290 nan 0.000 0.542 210 E N 0.451 120.605 120.200 -0.077 0.000 2.058 210 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 210 E C 2.437 179.002 176.600 -0.058 0.000 0.997 210 E CA 1.276 57.614 56.400 -0.104 0.000 0.801 210 E CB -0.109 29.560 29.700 -0.052 0.000 0.746 210 E HN 0.556 nan 8.360 nan 0.000 0.450 211 E N 0.021 120.215 120.200 -0.011 0.000 2.051 211 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 211 E C 2.219 178.835 176.600 0.027 0.000 0.991 211 E CA 1.540 57.942 56.400 0.005 0.000 0.799 211 E CB -0.111 29.598 29.700 0.015 0.000 0.748 211 E HN 0.179 nan 8.360 nan 0.000 0.449 212 T N 1.343 115.943 114.554 0.076 0.000 2.699 212 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 212 T C 1.812 176.611 174.700 0.166 0.000 1.036 212 T CA 1.695 63.878 62.100 0.138 0.000 1.147 212 T CB -0.175 68.848 68.868 0.259 0.000 0.862 212 T HN 0.145 nan 8.240 nan 0.000 0.446 213 K N 0.980 121.467 120.400 0.145 0.000 2.026 213 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 213 K C 2.571 179.193 176.600 0.037 0.000 1.048 213 K CA 1.301 57.652 56.287 0.108 0.000 0.929 213 K CB -0.377 31.997 32.500 -0.211 0.000 0.713 213 K HN 0.276 nan 8.250 nan 0.000 0.439 214 A N 1.072 123.887 122.820 -0.007 0.000 1.908 214 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 214 A C 2.056 179.633 177.584 -0.012 0.000 1.181 214 A CA 1.731 53.761 52.037 -0.012 0.000 0.627 214 A CB -0.581 18.408 19.000 -0.017 0.000 0.818 214 A HN 0.517 nan 8.150 nan 0.000 0.445 215 Q N -1.407 118.384 119.800 -0.015 0.000 2.079 215 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 215 Q C 2.035 177.975 176.000 -0.100 0.000 0.974 215 Q CA 1.349 57.127 55.803 -0.041 0.000 0.840 215 Q CB -0.244 28.474 28.738 -0.033 0.000 0.898 215 Q HN 0.645 nan 8.270 nan 0.000 0.430 216 I N 0.486 120.987 120.570 -0.115 0.000 2.315 216 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 216 I C 1.768 177.827 176.117 -0.095 0.000 1.117 216 I CA 1.118 62.302 61.300 -0.193 0.000 1.404 216 I CB 0.018 37.922 38.000 -0.160 0.000 1.071 216 I HN 0.158 nan 8.210 nan 0.000 0.419 217 L N -0.102 121.102 121.223 -0.031 0.000 2.046 217 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 217 L C 2.198 179.059 176.870 -0.016 0.000 1.077 217 L CA 1.804 56.637 54.840 -0.010 0.000 0.747 217 L CB -0.771 41.292 42.059 0.006 0.000 0.896 217 L HN 0.295 nan 8.230 nan 0.000 0.432 218 D N 0.236 120.623 120.400 -0.022 0.000 2.117 218 D HA -0.194 4.445 4.640 -0.000 0.000 0.197 218 D C 2.085 178.380 176.300 -0.009 0.000 0.987 218 D CA 1.526 55.519 54.000 -0.013 0.000 0.829 218 D CB 0.185 40.978 40.800 -0.011 0.000 0.961 218 D HN 0.136 nan 8.370 nan 0.000 0.460 219 K N -0.850 119.533 120.400 -0.029 0.000 2.262 219 K HA 0.096 4.416 4.320 -0.000 0.000 0.200 219 K C 1.340 177.957 176.600 0.027 0.000 1.049 219 K CA 0.607 56.896 56.287 0.004 0.000 0.979 219 K CB 0.480 32.976 32.500 -0.007 0.000 0.773 219 K HN 0.077 nan 8.250 nan 0.000 0.474 220 E N -0.955 119.240 120.200 -0.009 0.000 2.571 220 E HA 0.086 4.436 4.350 -0.000 0.000 0.222 220 E C 0.727 177.334 176.600 0.012 0.000 0.904 220 E CA 0.471 56.883 56.400 0.019 0.000 1.157 220 E CB 1.507 31.213 29.700 0.011 0.000 1.158 220 E HN 0.335 nan 8.360 nan 0.000 0.540 221 G N 3.079 111.881 108.800 0.003 0.000 2.153 221 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.252 221 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.252 221 G C 0.319 175.225 174.900 0.010 0.000 0.994 221 G CA 1.126 46.231 45.100 0.008 0.000 0.698 221 G HN 0.347 nan 8.290 nan 0.000 0.521 222 R N -1.838 118.667 120.500 0.008 0.000 2.741 222 R HA 0.730 5.069 4.340 -0.000 0.000 0.274 222 R C -0.607 175.704 176.300 0.018 0.000 1.029 222 R CA -1.297 54.812 56.100 0.016 0.000 0.880 222 R CB 0.687 30.995 30.300 0.013 0.000 1.264 222 R HN 0.157 nan 8.270 nan 0.000 0.465 223 L N 0.779 122.022 121.223 0.034 0.000 2.456 223 L HA 0.485 4.824 4.340 -0.000 0.000 0.257 223 L C -1.953 174.903 176.870 -0.024 0.000 1.162 223 L CA -2.278 52.590 54.840 0.046 0.000 0.808 223 L CB 0.714 42.835 42.059 0.102 0.000 1.136 223 L HN 0.459 nan 8.230 nan 0.000 0.466 224 P HA 0.059 nan 4.420 nan 0.000 0.272 224 P C -0.316 176.913 177.300 -0.118 0.000 1.223 224 P CA -0.295 62.729 63.100 -0.126 0.000 0.784 224 P CB 0.633 32.194 31.700 -0.230 0.000 0.923 225 D N 0.023 120.374 120.400 -0.081 0.000 2.144 225 D HA 0.036 4.675 4.640 -0.000 0.000 0.200 225 D C 0.574 176.809 176.300 -0.107 0.000 0.978 225 D CA 1.399 55.355 54.000 -0.074 0.000 0.833 225 D CB 0.203 40.975 40.800 -0.045 0.000 0.961 225 D HN 0.438 nan 8.370 nan 0.000 0.470 226 A N -0.028 122.718 122.820 -0.123 0.000 2.594 226 A HA 0.524 4.844 4.320 -0.000 0.000 0.295 226 A C -1.007 176.482 177.584 -0.159 0.000 1.071 226 A CA -0.734 51.215 52.037 -0.147 0.000 0.685 226 A CB 1.730 20.677 19.000 -0.089 0.000 1.285 226 A HN -0.039 nan 8.150 nan 0.000 0.405 227 V N -0.582 119.220 119.914 -0.186 0.000 2.555 227 V HA 0.911 5.031 4.120 -0.000 0.000 0.302 227 V C -0.701 175.425 176.094 0.054 0.000 1.038 227 V CA -0.675 61.569 62.300 -0.092 0.000 0.887 227 V CB 1.123 32.850 31.823 -0.160 0.000 0.991 227 V HN 0.698 nan 8.190 nan 0.000 0.434 228 I N 3.802 124.436 120.570 0.106 0.000 2.533 228 I HA 0.905 5.075 4.170 -0.000 0.000 0.290 228 I C 0.053 176.243 176.117 0.122 0.000 1.056 228 I CA -0.635 60.745 61.300 0.132 0.000 1.057 228 I CB 2.009 40.074 38.000 0.108 0.000 1.240 228 I HN 1.046 nan 8.210 nan 0.000 0.423 229 A N 4.121 127.004 122.820 0.106 0.000 2.549 229 A HA 0.701 5.021 4.320 -0.000 0.000 0.297 229 A C -0.419 177.144 177.584 -0.035 0.000 1.061 229 A CA -0.720 51.312 52.037 -0.008 0.000 0.690 229 A CB 1.137 20.053 19.000 -0.141 0.000 1.287 229 A HN 0.953 nan 8.150 nan 0.000 0.402 230 C N 0.534 119.809 119.300 -0.043 0.000 2.656 230 C HA 0.740 5.200 4.460 -0.000 0.000 0.391 230 C C 0.134 175.054 174.990 -0.116 0.000 1.300 230 C CA -0.454 58.536 59.018 -0.047 0.000 2.302 230 C CB -0.245 27.482 27.740 -0.021 0.000 2.655 230 C HN 0.747 nan 8.230 nan 0.000 0.656 231 V N 3.899 123.748 119.914 -0.108 0.000 2.398 231 V HA 0.534 4.653 4.120 -0.000 0.000 0.282 231 V C 0.856 176.896 176.094 -0.090 0.000 1.014 231 V CA 0.620 62.835 62.300 -0.142 0.000 0.838 231 V CB 0.621 32.344 31.823 -0.167 0.000 1.018 231 V HN 1.285 nan 8.190 nan 0.000 0.432 232 G N 3.299 112.062 108.800 -0.061 0.000 2.695 232 G HA2 0.222 4.182 3.960 -0.000 0.000 0.219 232 G HA3 0.222 4.182 3.960 -0.000 0.000 0.219 232 G C 1.247 176.212 174.900 0.108 0.000 1.295 232 G CA 0.959 46.063 45.100 0.007 0.000 0.882 232 G HN 0.812 nan 8.290 nan 0.000 0.570 233 G N -1.357 107.459 108.800 0.027 0.000 2.762 233 G HA2 0.403 4.363 3.960 -0.000 0.000 0.209 233 G HA3 0.403 4.363 3.960 -0.000 0.000 0.209 233 G C 1.027 175.922 174.900 -0.007 0.000 1.134 233 G CA 0.841 45.925 45.100 -0.027 0.000 0.781 233 G HN 1.667 nan 8.290 nan 0.000 0.528 234 G N 0.027 108.807 108.800 -0.033 0.000 2.227 234 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.168 234 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.168 234 G C 1.495 176.463 174.900 0.113 0.000 1.006 234 G CA 0.985 46.112 45.100 0.046 0.000 0.684 234 G HN 1.099 nan 8.290 nan 0.000 0.489 235 S N 1.474 117.191 115.700 0.028 0.000 2.345 235 S HA -0.121 4.349 4.470 -0.000 0.000 0.219 235 S C 2.074 176.670 174.600 -0.007 0.000 1.031 235 S CA 1.932 60.165 58.200 0.055 0.000 0.984 235 S CB -0.653 62.615 63.200 0.114 0.000 0.874 235 S HN 1.110 nan 8.310 nan 0.000 0.451 236 N N 2.941 121.522 118.700 -0.198 0.000 2.166 236 N HA 0.007 4.746 4.740 -0.000 0.000 0.186 236 N C 1.759 177.086 175.510 -0.304 0.000 1.019 236 N CA 1.388 54.146 53.050 -0.487 0.000 0.856 236 N CB -0.655 37.175 38.487 -1.095 0.000 0.993 236 N HN 0.521 nan 8.380 nan 0.000 0.426 237 A N 0.498 123.127 122.820 -0.319 0.000 1.873 237 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 237 A C 2.250 179.438 177.584 -0.660 0.000 1.186 237 A CA 1.169 52.858 52.037 -0.580 0.000 0.616 237 A CB -0.836 17.792 19.000 -0.620 0.000 0.823 237 A HN 0.354 nan 8.150 nan 0.000 0.442 238 I N 0.193 120.643 120.570 -0.199 0.000 2.394 238 I HA -0.076 4.094 4.170 -0.000 0.000 0.251 238 I C 2.284 178.389 176.117 -0.021 0.000 1.136 238 I CA 1.251 62.478 61.300 -0.121 0.000 1.425 238 I CB -0.446 37.466 38.000 -0.146 0.000 1.079 238 I HN 0.248 nan 8.210 nan 0.000 0.425 239 G N -0.027 108.762 108.800 -0.019 0.000 2.408 239 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 239 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 239 G C 1.608 176.559 174.900 0.086 0.000 1.150 239 G CA 1.030 46.163 45.100 0.056 0.000 0.776 239 G HN 0.370 nan 8.290 nan 0.000 0.542 240 M N 0.023 119.652 119.600 0.048 0.000 2.099 240 M HA 0.196 4.676 4.480 -0.000 0.000 0.262 240 M C 1.965 178.532 176.300 0.446 0.000 1.067 240 M CA 1.076 56.493 55.300 0.195 0.000 1.124 240 M CB -0.488 32.188 32.600 0.126 0.000 1.353 240 M HN 0.108 nan 8.290 nan 0.000 0.410 241 F N 0.393 120.463 119.950 0.200 0.000 2.206 241 F HA 0.137 4.663 4.527 -0.000 0.000 0.298 241 F C 2.544 178.472 175.800 0.213 0.000 1.090 241 F CA 0.671 58.806 58.000 0.225 0.000 1.323 241 F CB -2.011 37.082 39.000 0.154 0.000 1.028 241 F HN 0.270 nan 8.300 nan 0.000 0.492 242 A N 0.173 123.188 122.820 0.326 0.000 1.873 242 A HA -0.295 4.024 4.320 -0.000 0.000 0.218 242 A C 1.969 179.625 177.584 0.120 0.000 1.193 242 A CA 2.323 54.478 52.037 0.197 0.000 0.629 242 A CB -1.211 17.871 19.000 0.138 0.000 0.826 242 A HN 0.315 nan 8.150 nan 0.000 0.447 243 D N -2.088 118.322 120.400 0.017 0.000 2.350 243 D HA -0.040 4.600 4.640 -0.000 0.000 0.216 243 D C 0.977 177.117 176.300 -0.268 0.000 0.968 243 D CA 0.760 54.659 54.000 -0.168 0.000 0.894 243 D CB -0.162 40.449 40.800 -0.315 0.000 0.909 243 D HN 0.448 nan 8.370 nan 0.000 0.520 244 F N -0.546 119.451 119.950 0.077 0.000 2.727 244 F HA 0.304 4.831 4.527 -0.000 0.000 0.302 244 F C 1.770 177.585 175.800 0.024 0.000 1.097 244 F CA -0.209 57.816 58.000 0.042 0.000 1.330 244 F CB -0.074 38.944 39.000 0.030 0.000 1.084 244 F HN -0.033 nan 8.300 nan 0.000 0.578 245 I N 0.465 121.147 120.570 0.187 0.000 2.208 245 I HA -0.363 3.807 4.170 -0.000 0.000 0.245 245 I C 1.404 177.580 176.117 0.097 0.000 1.097 245 I CA 1.801 63.178 61.300 0.127 0.000 1.363 245 I CB -0.412 37.670 38.000 0.138 0.000 1.051 245 I HN 0.190 nan 8.210 nan 0.000 0.413 246 N N 0.011 118.765 118.700 0.090 0.000 2.461 246 N HA -0.044 4.696 4.740 -0.000 0.000 0.188 246 N C -0.380 175.171 175.510 0.068 0.000 1.134 246 N CA 0.077 53.169 53.050 0.070 0.000 0.878 246 N CB 0.189 38.711 38.487 0.057 0.000 0.972 246 N HN 0.238 nan 8.380 nan 0.000 0.456 247 D N 0.794 121.252 120.400 0.097 0.000 2.494 247 D HA 0.001 4.641 4.640 -0.000 0.000 0.217 247 D C 1.264 177.607 176.300 0.071 0.000 1.153 247 D CA 0.170 54.232 54.000 0.104 0.000 0.954 247 D CB 0.937 41.853 40.800 0.193 0.000 1.034 247 D HN 0.288 nan 8.370 nan 0.000 0.518 248 T N -1.727 112.852 114.554 0.042 0.000 2.849 248 T HA -0.226 4.124 4.350 -0.000 0.000 0.270 248 T C 1.901 176.601 174.700 -0.000 0.000 1.066 248 T CA 1.367 63.477 62.100 0.017 0.000 1.130 248 T CB -0.074 68.803 68.868 0.015 0.000 0.864 248 T HN 0.244 nan 8.240 nan 0.000 0.481 249 S N 0.414 116.118 115.700 0.007 0.000 2.515 249 S HA 0.141 4.611 4.470 -0.000 0.000 0.231 249 S C 0.644 175.223 174.600 -0.035 0.000 0.987 249 S CA -0.330 57.864 58.200 -0.010 0.000 0.936 249 S CB -0.570 62.630 63.200 0.001 0.000 0.766 249 S HN 0.390 nan 8.310 nan 0.000 0.528 250 V N 2.500 122.391 119.914 -0.039 0.000 2.385 250 V HA 0.609 4.729 4.120 -0.000 0.000 0.269 250 V C 1.075 177.079 176.094 -0.150 0.000 1.043 250 V CA -0.500 61.733 62.300 -0.111 0.000 0.906 250 V CB 0.483 32.223 31.823 -0.139 0.000 0.995 250 V HN 0.437 nan 8.190 nan 0.000 0.467 251 G N 5.182 113.881 108.800 -0.167 0.000 2.442 251 G HA2 0.500 4.460 3.960 -0.000 0.000 0.249 251 G HA3 0.500 4.460 3.960 -0.000 0.000 0.249 251 G C -0.620 174.100 174.900 -0.300 0.000 1.263 251 G CA -0.421 44.563 45.100 -0.194 0.000 0.846 251 G HN 0.643 nan 8.290 nan 0.000 0.555 252 L N 2.354 123.324 121.223 -0.421 0.000 2.343 252 L HA 0.478 4.817 4.340 -0.000 0.000 0.278 252 L C -0.450 176.027 176.870 -0.654 0.000 0.996 252 L CA -0.470 53.893 54.840 -0.795 0.000 0.831 252 L CB 1.661 42.960 42.059 -1.266 0.000 1.232 252 L HN 0.321 nan 8.230 nan 0.000 0.413 253 I N 2.503 122.854 120.570 -0.365 0.000 2.410 253 I HA 0.479 4.649 4.170 -0.000 0.000 0.286 253 I C 0.467 176.564 176.117 -0.033 0.000 1.009 253 I CA -0.393 60.762 61.300 -0.242 0.000 1.111 253 I CB 2.012 39.933 38.000 -0.132 0.000 1.262 253 I HN 0.617 nan 8.210 nan 0.000 0.443 254 G N 5.500 114.146 108.800 -0.256 0.000 2.356 254 G HA2 0.596 4.555 3.960 -0.000 0.000 0.322 254 G HA3 0.596 4.555 3.960 -0.000 0.000 0.322 254 G C -0.792 174.092 174.900 -0.028 0.000 1.125 254 G CA -0.361 44.709 45.100 -0.051 0.000 0.885 254 G HN 0.331 nan 8.290 nan 0.000 0.467 255 V N 2.807 122.722 119.914 0.002 0.000 2.350 255 V HA 0.304 4.423 4.120 -0.000 0.000 0.285 255 V C 0.032 176.138 176.094 0.020 0.000 1.014 255 V CA -0.768 61.533 62.300 0.003 0.000 0.831 255 V CB 1.043 32.887 31.823 0.035 0.000 1.000 255 V HN 0.796 nan 8.190 nan 0.000 0.433 256 E N 6.322 126.544 120.200 0.036 0.000 2.283 256 E HA 0.363 4.713 4.350 -0.000 0.000 0.267 256 E C -2.489 174.120 176.600 0.015 0.000 1.045 256 E CA -1.986 54.419 56.400 0.008 0.000 0.884 256 E CB 1.312 31.034 29.700 0.037 0.000 1.106 256 E HN 0.425 nan 8.360 nan 0.000 0.408 257 P HA 0.028 nan 4.420 nan 0.000 0.276 257 P C 0.027 177.382 177.300 0.092 0.000 1.243 257 P CA 0.005 63.085 63.100 -0.033 0.000 0.768 257 P CB 1.055 32.629 31.700 -0.210 0.000 0.856 258 G N 2.221 111.108 108.800 0.144 0.000 3.088 258 G HA2 0.299 4.259 3.960 -0.000 0.000 0.217 258 G HA3 0.299 4.259 3.960 -0.000 0.000 0.217 258 G C 0.935 175.937 174.900 0.170 0.000 1.159 258 G CA 0.489 45.657 45.100 0.115 0.000 0.760 258 G HN 0.806 nan 8.290 nan 0.000 0.550 259 G N 0.801 109.702 108.800 0.168 0.000 2.622 259 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.307 259 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.307 259 G C 0.845 175.842 174.900 0.162 0.000 1.226 259 G CA 0.506 45.730 45.100 0.207 0.000 0.997 259 G HN 0.385 nan 8.290 nan 0.000 0.551 260 H N 2.653 121.888 119.070 0.275 0.000 2.547 260 H HA 0.400 4.956 4.556 -0.000 0.000 0.266 260 H C 1.517 176.892 175.328 0.078 0.000 0.988 260 H CA 1.518 57.635 56.048 0.116 0.000 1.147 260 H CB -0.312 29.448 29.762 -0.003 0.000 1.365 260 H HN 1.829 nan 8.280 nan 0.000 0.589 261 G N 0.204 109.110 108.800 0.177 0.000 2.653 261 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.656 261 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.656 261 G C 0.446 175.376 174.900 0.050 0.000 1.419 261 G CA -0.537 44.616 45.100 0.088 0.000 0.862 261 G HN -0.004 nan 8.290 nan 0.000 0.639 262 I N 1.628 122.143 120.570 -0.092 0.000 2.151 262 I HA -0.159 4.011 4.170 -0.000 0.000 0.243 262 I C 2.913 178.967 176.117 -0.106 0.000 1.080 262 I CA 2.408 63.531 61.300 -0.295 0.000 1.339 262 I CB -0.837 36.786 38.000 -0.628 0.000 1.039 262 I HN 0.878 nan 8.210 nan 0.000 0.409 263 E N 1.212 121.368 120.200 -0.073 0.000 2.267 263 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 263 E C 1.760 178.374 176.600 0.024 0.000 0.998 263 E CA 1.899 58.287 56.400 -0.021 0.000 0.830 263 E CB -1.143 28.546 29.700 -0.018 0.000 0.751 263 E HN 0.619 nan 8.360 nan 0.000 0.491 264 T N -3.151 111.436 114.554 0.055 0.000 3.055 264 T HA 0.217 4.567 4.350 -0.000 0.000 0.265 264 T C 1.710 176.452 174.700 0.071 0.000 1.111 264 T CA 1.272 63.409 62.100 0.060 0.000 1.118 264 T CB -0.357 68.561 68.868 0.082 0.000 0.909 264 T HN 0.422 nan 8.240 nan 0.000 0.501 265 G N 1.339 110.222 108.800 0.137 0.000 2.212 265 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.266 265 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.266 265 G C -0.040 174.849 174.900 -0.018 0.000 0.978 265 G CA 0.260 45.421 45.100 0.101 0.000 0.632 265 G HN 0.656 nan 8.290 nan 0.000 0.537 266 E N 0.993 121.234 120.200 0.067 0.000 2.079 266 E HA 0.507 4.857 4.350 -0.000 0.000 0.252 266 E C 0.259 176.979 176.600 0.200 0.000 0.992 266 E CA -0.134 56.286 56.400 0.033 0.000 0.829 266 E CB 0.185 29.872 29.700 -0.021 0.000 1.158 266 E HN 0.879 nan 8.360 nan 0.000 0.435 267 H N -1.533 117.618 119.070 0.135 0.000 2.928 267 H HA 0.637 5.193 4.556 -0.000 0.000 0.285 267 H C -0.067 175.289 175.328 0.047 0.000 1.438 267 H CA -1.244 54.866 56.048 0.104 0.000 1.176 267 H CB 1.081 30.870 29.762 0.045 0.000 1.864 267 H HN 0.183 nan 8.280 nan 0.000 0.567 268 G N -0.969 107.961 108.800 0.217 0.000 4.885 268 G HA2 0.535 4.495 3.960 -0.000 0.000 0.263 268 G HA3 0.535 4.495 3.960 -0.000 0.000 0.263 268 G C -0.541 174.456 174.900 0.161 0.000 1.168 268 G CA -0.023 45.132 45.100 0.091 0.000 0.906 268 G HN 0.860 nan 8.290 nan 0.000 0.575 269 A N 1.671 124.726 122.820 0.391 0.000 3.218 269 A HA 0.654 4.974 4.320 -0.000 0.000 0.321 269 A C -0.973 176.728 177.584 0.195 0.000 1.012 269 A CA -1.179 50.990 52.037 0.221 0.000 0.948 269 A CB 0.922 20.028 19.000 0.177 0.000 1.050 269 A HN 0.179 nan 8.150 nan 0.000 0.492 270 P HA -0.181 nan 4.420 nan 0.000 0.218 270 P C 1.630 178.910 177.300 -0.034 0.000 1.149 270 P CA 0.595 63.716 63.100 0.036 0.000 0.817 270 P CB 0.267 31.944 31.700 -0.038 0.000 0.785 271 L N -0.611 120.556 121.223 -0.094 0.000 2.017 271 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 271 L C 2.257 179.009 176.870 -0.196 0.000 1.073 271 L CA 1.875 56.597 54.840 -0.195 0.000 0.745 271 L CB -0.293 41.563 42.059 -0.338 0.000 0.894 271 L HN -0.170 nan 8.230 nan 0.000 0.432 272 K N -1.573 118.694 120.400 -0.223 0.000 2.323 272 K HA 0.091 4.411 4.320 -0.000 0.000 0.197 272 K C 1.034 177.242 176.600 -0.653 0.000 1.043 272 K CA 0.729 56.761 56.287 -0.425 0.000 0.997 272 K CB 0.169 32.369 32.500 -0.500 0.000 0.807 272 K HN 0.499 nan 8.250 nan 0.000 0.497 273 H N -1.361 117.698 119.070 -0.019 0.000 3.230 273 H HA 0.264 4.820 4.556 -0.000 0.000 0.259 273 H C 0.880 176.249 175.328 0.069 0.000 1.195 273 H CA 0.023 56.073 56.048 0.004 0.000 1.112 273 H CB 0.928 30.633 29.762 -0.095 0.000 1.638 273 H HN 0.066 nan 8.280 nan 0.000 0.624 274 G N 0.622 109.485 108.800 0.106 0.000 2.641 274 G HA2 0.485 4.445 3.960 -0.000 0.000 0.239 274 G HA3 0.485 4.445 3.960 -0.000 0.000 0.239 274 G C -0.458 174.465 174.900 0.038 0.000 1.402 274 G CA -0.595 44.546 45.100 0.069 0.000 1.046 274 G HN 0.153 nan 8.290 nan 0.000 0.565 275 R N -1.432 119.080 120.500 0.020 0.000 2.604 275 R HA 0.467 4.806 4.340 -0.000 0.000 0.281 275 R C -1.040 175.282 176.300 0.038 0.000 1.020 275 R CA -0.615 55.503 56.100 0.030 0.000 0.899 275 R CB 2.144 32.457 30.300 0.022 0.000 1.205 275 R HN 0.343 nan 8.270 nan 0.000 0.450 276 V N 3.375 123.336 119.914 0.079 0.000 2.599 276 V HA 0.348 4.468 4.120 -0.000 0.000 0.300 276 V C 0.916 177.049 176.094 0.064 0.000 1.034 276 V CA 0.964 63.334 62.300 0.117 0.000 1.115 276 V CB 0.824 32.766 31.823 0.197 0.000 0.934 276 V HN 0.950 nan 8.190 nan 0.000 0.485 277 G N 4.219 113.054 108.800 0.058 0.000 2.866 277 G HA2 0.759 4.719 3.960 -0.000 0.000 0.289 277 G HA3 0.759 4.719 3.960 -0.000 0.000 0.289 277 G C -1.362 173.547 174.900 0.015 0.000 1.396 277 G CA -0.836 44.277 45.100 0.021 0.000 0.848 277 G HN 0.553 nan 8.290 nan 0.000 0.515 278 I N 0.965 121.524 120.570 -0.019 0.000 2.410 278 I HA 0.508 4.677 4.170 -0.000 0.000 0.286 278 I C -1.117 175.066 176.117 0.110 0.000 1.009 278 I CA -0.677 60.572 61.300 -0.085 0.000 1.111 278 I CB 1.639 39.435 38.000 -0.340 0.000 1.262 278 I HN 0.695 nan 8.210 nan 0.000 0.443 279 Y N 6.583 126.889 120.300 0.010 0.000 2.662 279 Y HA 0.345 4.894 4.550 -0.000 0.000 0.334 279 Y C -0.317 175.731 175.900 0.246 0.000 1.185 279 Y CA -1.113 57.046 58.100 0.099 0.000 1.074 279 Y CB 0.995 39.490 38.460 0.058 0.000 1.330 279 Y HN 0.438 nan 8.280 nan 0.000 0.458 280 F N 3.936 123.483 119.950 -0.670 0.000 3.067 280 F HA -0.138 4.389 4.527 -0.000 0.000 0.279 280 F C 0.987 176.716 175.800 -0.119 0.000 0.945 280 F CA 2.122 59.785 58.000 -0.563 0.000 0.948 280 F CB -1.021 37.471 39.000 -0.846 0.000 0.898 280 F HN 1.672 nan 8.300 nan 0.000 0.746 281 G N 0.675 109.453 108.800 -0.035 0.000 2.176 281 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.253 281 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.253 281 G C 0.260 175.257 174.900 0.162 0.000 0.979 281 G CA 0.550 45.658 45.100 0.014 0.000 0.641 281 G HN 1.473 nan 8.290 nan 0.000 0.530 282 M N -1.889 117.819 119.600 0.181 0.000 2.531 282 M HA 0.760 5.240 4.480 -0.000 0.000 0.286 282 M C -0.722 175.660 176.300 0.138 0.000 1.232 282 M CA -1.171 54.271 55.300 0.236 0.000 0.877 282 M CB 1.910 34.628 32.600 0.195 0.000 1.726 282 M HN -0.025 nan 8.290 nan 0.000 0.463 283 K N 1.765 122.258 120.400 0.155 0.000 2.262 283 K HA 0.785 5.105 4.320 -0.000 0.000 0.282 283 K C -1.463 175.332 176.600 0.326 0.000 1.066 283 K CA -0.065 56.302 56.287 0.134 0.000 0.901 283 K CB 0.902 33.507 32.500 0.174 0.000 1.089 283 K HN 0.853 nan 8.250 nan 0.000 0.476 284 A N 5.036 128.026 122.820 0.284 0.000 2.601 284 A HA 0.494 4.814 4.320 -0.000 0.000 0.291 284 A C -2.948 174.731 177.584 0.160 0.000 1.075 284 A CA -1.424 50.778 52.037 0.275 0.000 0.671 284 A CB 1.225 20.353 19.000 0.214 0.000 1.277 284 A HN 0.516 nan 8.150 nan 0.000 0.417 285 P HA 0.324 nan 4.420 nan 0.000 0.264 285 P C -0.437 176.851 177.300 -0.021 0.000 1.193 285 P CA 0.564 63.669 63.100 0.008 0.000 0.763 285 P CB 0.237 31.893 31.700 -0.074 0.000 0.810 286 M N 0.569 120.141 119.600 -0.046 0.000 2.631 286 M HA 0.573 5.053 4.480 -0.000 0.000 0.288 286 M C -0.837 175.387 176.300 -0.126 0.000 1.260 286 M CA -1.240 53.981 55.300 -0.130 0.000 0.842 286 M CB 1.777 34.248 32.600 -0.216 0.000 1.743 286 M HN -0.093 nan 8.290 nan 0.000 0.461 287 M N 3.268 122.757 119.600 -0.184 0.000 2.220 287 M HA 0.294 4.774 4.480 -0.000 0.000 0.343 287 M C -0.689 175.501 176.300 -0.183 0.000 1.470 287 M CA 0.564 55.767 55.300 -0.162 0.000 1.161 287 M CB -0.471 32.011 32.600 -0.196 0.000 1.737 287 M HN 0.774 nan 8.290 nan 0.000 0.464 288 Q N 1.275 121.001 119.800 -0.122 0.000 2.435 288 Q HA 0.620 4.960 4.340 -0.000 0.000 0.282 288 Q C -0.541 175.418 176.000 -0.068 0.000 1.020 288 Q CA -1.055 54.682 55.803 -0.111 0.000 0.820 288 Q CB 1.074 29.747 28.738 -0.107 0.000 1.436 288 Q HN 0.621 nan 8.270 nan 0.000 0.395 289 T N -1.575 112.943 114.554 -0.060 0.000 2.748 289 T HA 0.399 4.749 4.350 -0.000 0.000 0.304 289 T C 1.273 175.958 174.700 -0.025 0.000 1.041 289 T CA 0.039 62.116 62.100 -0.038 0.000 1.033 289 T CB 0.793 69.641 68.868 -0.034 0.000 0.995 289 T HN 0.810 nan 8.240 nan 0.000 0.536 290 A N 0.209 123.020 122.820 -0.015 0.000 2.019 290 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 290 A C 2.002 179.582 177.584 -0.007 0.000 1.164 290 A CA 1.561 53.594 52.037 -0.007 0.000 0.644 290 A CB -0.898 18.101 19.000 -0.002 0.000 0.805 290 A HN 0.877 nan 8.150 nan 0.000 0.449 291 D N -1.615 118.779 120.400 -0.010 0.000 2.347 291 D HA 0.201 4.841 4.640 -0.000 0.000 0.213 291 D C 1.378 177.672 176.300 -0.010 0.000 0.985 291 D CA 1.232 55.227 54.000 -0.008 0.000 0.879 291 D CB 0.096 40.891 40.800 -0.009 0.000 0.919 291 D HN 0.575 nan 8.370 nan 0.000 0.526 292 G N 0.572 109.361 108.800 -0.018 0.000 2.131 292 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.223 292 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.223 292 G C 0.074 174.956 174.900 -0.030 0.000 0.990 292 G CA -0.287 44.800 45.100 -0.022 0.000 0.671 292 G HN 0.191 nan 8.290 nan 0.000 0.521 293 Q N 0.278 120.056 119.800 -0.036 0.000 2.259 293 Q HA 0.467 4.807 4.340 -0.000 0.000 0.249 293 Q C 0.892 176.840 176.000 -0.085 0.000 0.914 293 Q CA -0.426 55.352 55.803 -0.043 0.000 0.904 293 Q CB 1.379 30.097 28.738 -0.033 0.000 1.213 293 Q HN 0.376 nan 8.270 nan 0.000 0.428 294 I N 1.755 122.255 120.570 -0.116 0.000 2.529 294 I HA 0.146 4.315 4.170 -0.000 0.000 0.284 294 I C 0.806 176.816 176.117 -0.178 0.000 1.082 294 I CA 0.212 61.379 61.300 -0.222 0.000 1.406 294 I CB 0.141 37.911 38.000 -0.383 0.000 1.405 294 I HN 0.509 nan 8.210 nan 0.000 0.548 295 E N 3.950 124.031 120.200 -0.199 0.000 2.316 295 E HA 0.432 4.781 4.350 -0.000 0.000 0.258 295 E C -0.735 175.763 176.600 -0.171 0.000 0.952 295 E CA -0.851 55.459 56.400 -0.151 0.000 0.818 295 E CB 1.549 31.173 29.700 -0.128 0.000 1.260 295 E HN 0.478 nan 8.360 nan 0.000 0.416 296 E N 0.339 120.466 120.200 -0.121 0.000 2.319 296 E HA 0.264 4.613 4.350 -0.000 0.000 0.268 296 E C -0.866 175.668 176.600 -0.110 0.000 1.050 296 E CA -0.296 56.041 56.400 -0.104 0.000 0.878 296 E CB 1.381 31.052 29.700 -0.049 0.000 1.066 296 E HN 0.154 nan 8.360 nan 0.000 0.406 297 S N 1.326 116.962 115.700 -0.106 0.000 2.537 297 S HA 0.172 4.642 4.470 -0.000 0.000 0.275 297 S C -1.082 173.495 174.600 -0.038 0.000 1.272 297 S CA -0.454 57.691 58.200 -0.093 0.000 1.050 297 S CB 0.282 63.425 63.200 -0.095 0.000 0.961 297 S HN 0.373 nan 8.310 nan 0.000 0.496 298 Y N 2.354 122.588 120.300 -0.109 0.000 2.360 298 Y HA 0.634 5.184 4.550 -0.000 0.000 0.337 298 Y C -0.084 175.769 175.900 -0.080 0.000 1.039 298 Y CA -0.275 57.770 58.100 -0.091 0.000 1.109 298 Y CB 1.223 39.621 38.460 -0.103 0.000 1.201 298 Y HN 0.584 nan 8.280 nan 0.000 0.458 299 S N 5.829 120.668 115.700 -1.434 0.000 2.547 299 S HA 0.294 4.764 4.470 -0.000 0.000 0.270 299 S C 0.379 174.351 174.600 -1.048 0.000 1.150 299 S CA -0.735 56.793 58.200 -1.120 0.000 0.850 299 S CB 0.961 63.888 63.200 -0.454 0.000 1.118 299 S HN 0.979 nan 8.310 nan 0.000 0.461 300 I N 2.517 122.781 120.570 -0.510 0.000 2.335 300 I HA -0.041 4.129 4.170 -0.000 0.000 0.251 300 I C 0.888 176.938 176.117 -0.112 0.000 1.129 300 I CA 1.238 62.445 61.300 -0.155 0.000 1.402 300 I CB -0.034 37.964 38.000 -0.005 0.000 1.069 300 I HN 0.552 nan 8.210 nan 0.000 0.424 301 S N 0.206 115.847 115.700 -0.099 0.000 2.411 301 S HA 0.451 4.921 4.470 -0.000 0.000 0.294 301 S C 1.089 175.625 174.600 -0.108 0.000 1.115 301 S CA 0.017 58.183 58.200 -0.057 0.000 1.071 301 S CB 1.434 64.638 63.200 0.007 0.000 0.967 301 S HN 0.397 nan 8.310 nan 0.000 0.488 302 A N 4.730 127.513 122.820 -0.062 0.000 1.978 302 A HA 0.023 4.342 4.320 -0.000 0.000 0.220 302 A C 2.050 179.613 177.584 -0.035 0.000 1.170 302 A CA 1.801 53.810 52.037 -0.048 0.000 0.636 302 A CB -1.145 17.851 19.000 -0.007 0.000 0.810 302 A HN 0.969 nan 8.150 nan 0.000 0.448 303 G N -0.910 107.877 108.800 -0.022 0.000 2.598 303 G HA2 0.098 4.058 3.960 -0.000 0.000 0.215 303 G HA3 0.098 4.058 3.960 -0.000 0.000 0.215 303 G C 1.012 175.898 174.900 -0.024 0.000 1.131 303 G CA 0.517 45.613 45.100 -0.005 0.000 0.785 303 G HN 0.458 nan 8.290 nan 0.000 0.539 304 L N 0.649 121.826 121.223 -0.077 0.000 2.848 304 L HA 0.270 4.610 4.340 -0.000 0.000 0.240 304 L C 1.956 178.786 176.870 -0.067 0.000 1.232 304 L CA 0.428 55.208 54.840 -0.100 0.000 1.031 304 L CB 0.054 41.974 42.059 -0.232 0.000 1.338 304 L HN 0.263 nan 8.230 nan 0.000 0.509 305 D N -0.046 120.337 120.400 -0.027 0.000 2.340 305 D HA -0.058 4.581 4.640 -0.000 0.000 0.220 305 D C 0.687 177.008 176.300 0.035 0.000 1.039 305 D CA -0.353 53.633 54.000 -0.024 0.000 0.866 305 D CB 0.071 40.856 40.800 -0.026 0.000 0.913 305 D HN 0.164 nan 8.370 nan 0.000 0.523 306 F N 1.800 121.712 119.950 -0.065 0.000 2.571 306 F HA 0.242 4.769 4.527 -0.001 0.000 0.390 306 F C -1.362 174.413 175.800 -0.042 0.000 1.043 306 F CA -2.457 55.514 58.000 -0.047 0.000 1.164 306 F CB 1.543 40.523 39.000 -0.032 0.000 1.049 306 F HN -0.078 nan 8.300 nan 0.000 0.552 307 P HA -0.003 nan 4.420 nan 0.000 0.253 307 P C -0.029 176.950 177.300 -0.535 0.000 1.281 307 P CA 0.524 63.340 63.100 -0.473 0.000 0.792 307 P CB 0.416 31.854 31.700 -0.437 0.000 1.193 308 S N -1.565 113.690 115.700 -0.741 0.000 3.132 308 S HA 0.687 5.156 4.470 -0.000 0.000 0.322 308 S C -1.366 173.268 174.600 0.058 0.000 1.124 308 S CA -0.595 57.412 58.200 -0.321 0.000 0.906 308 S CB 1.332 64.406 63.200 -0.211 0.000 1.349 308 S HN -0.120 nan 8.310 nan 0.000 0.686 309 V N 0.235 120.300 119.914 0.251 0.000 3.147 309 V HA 0.695 4.814 4.120 -0.000 0.000 0.299 309 V C 0.055 176.294 176.094 0.242 0.000 1.302 309 V CA 0.034 62.482 62.300 0.247 0.000 1.015 309 V CB 1.354 33.185 31.823 0.013 0.000 1.086 309 V HN 1.187 nan 8.190 nan 0.000 0.437 310 G N 4.709 113.633 108.800 0.208 0.000 2.414 310 G HA2 0.356 4.316 3.960 -0.000 0.000 0.236 310 G HA3 0.356 4.316 3.960 -0.000 0.000 0.236 310 G C -1.358 173.561 174.900 0.030 0.000 1.293 310 G CA -0.166 45.014 45.100 0.133 0.000 0.869 310 G HN 0.685 nan 8.290 nan 0.000 0.556 311 P HA -0.151 nan 4.420 nan 0.000 0.220 311 P C 1.376 178.603 177.300 -0.122 0.000 1.148 311 P CA 0.991 64.125 63.100 0.056 0.000 0.803 311 P CB 0.289 32.164 31.700 0.292 0.000 0.782 312 Q N -1.030 118.440 119.800 -0.549 0.000 2.167 312 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 312 Q C 2.230 178.057 176.000 -0.290 0.000 0.970 312 Q CA 1.075 56.416 55.803 -0.770 0.000 0.855 312 Q CB -0.260 27.733 28.738 -1.240 0.000 0.911 312 Q HN 0.354 nan 8.270 nan 0.000 0.438 313 H N -0.523 118.461 119.070 -0.144 0.000 2.357 313 H HA -0.059 4.497 4.556 -0.000 0.000 0.301 313 H C 1.976 177.121 175.328 -0.306 0.000 1.082 313 H CA 1.401 57.380 56.048 -0.114 0.000 1.342 313 H CB -0.224 29.418 29.762 -0.200 0.000 1.389 313 H HN 0.422 nan 8.280 nan 0.000 0.511 314 A N 0.861 123.490 122.820 -0.319 0.000 1.940 314 A HA -0.236 4.083 4.320 -0.000 0.000 0.219 314 A C 2.311 179.639 177.584 -0.425 0.000 1.176 314 A CA 1.641 53.273 52.037 -0.675 0.000 0.631 314 A CB -0.923 17.277 19.000 -1.333 0.000 0.814 314 A HN 0.475 nan 8.150 nan 0.000 0.446 315 Y N 0.288 120.499 120.300 -0.149 0.000 2.184 315 Y HA -0.060 4.489 4.550 -0.000 0.000 0.290 315 Y C 1.919 177.924 175.900 0.174 0.000 1.129 315 Y CA 1.586 59.837 58.100 0.251 0.000 1.144 315 Y CB -0.418 38.281 38.460 0.397 0.000 0.995 315 Y HN 0.189 nan 8.280 nan 0.000 0.513 316 L N 0.462 121.688 121.223 0.006 0.000 2.079 316 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 316 L C 2.298 179.189 176.870 0.034 0.000 1.081 316 L CA 1.774 56.601 54.840 -0.023 0.000 0.752 316 L CB -0.705 41.460 42.059 0.176 0.000 0.896 316 L HN 0.311 nan 8.230 nan 0.000 0.433 317 N N -0.116 118.657 118.700 0.122 0.000 2.084 317 N HA -0.205 4.534 4.740 -0.000 0.000 0.190 317 N C 2.063 177.592 175.510 0.032 0.000 1.030 317 N CA 1.759 54.892 53.050 0.139 0.000 0.849 317 N CB -0.115 38.386 38.487 0.025 0.000 1.012 317 N HN 0.333 nan 8.380 nan 0.000 0.423 318 S N 0.512 116.219 115.700 0.012 0.000 2.383 318 S HA -0.174 4.295 4.470 -0.000 0.000 0.229 318 S C 2.027 176.622 174.600 -0.008 0.000 1.030 318 S CA 1.349 59.587 58.200 0.063 0.000 1.002 318 S CB -0.993 62.351 63.200 0.239 0.000 0.829 318 S HN 0.593 nan 8.310 nan 0.000 0.467 319 I N -2.229 118.266 120.570 -0.126 0.000 3.684 319 I HA 0.492 4.662 4.170 -0.000 0.000 0.304 319 I C 1.544 177.617 176.117 -0.072 0.000 1.278 319 I CA 0.316 61.539 61.300 -0.129 0.000 1.272 319 I CB -0.714 37.126 38.000 -0.267 0.000 1.029 319 I HN 0.424 nan 8.210 nan 0.000 0.458 320 G N 2.324 111.095 108.800 -0.048 0.000 2.148 320 G HA2 -0.369 3.590 3.960 -0.000 0.000 0.254 320 G HA3 -0.369 3.590 3.960 -0.000 0.000 0.254 320 G C 0.974 175.847 174.900 -0.045 0.000 0.981 320 G CA 0.613 45.696 45.100 -0.029 0.000 0.670 320 G HN 0.501 nan 8.290 nan 0.000 0.528 321 R N 0.703 121.168 120.500 -0.059 0.000 2.090 321 R HA 0.535 4.875 4.340 -0.000 0.000 0.228 321 R C 1.384 177.618 176.300 -0.110 0.000 1.110 321 R CA 2.220 58.279 56.100 -0.067 0.000 0.973 321 R CB -0.295 29.974 30.300 -0.051 0.000 0.869 321 R HN 1.160 nan 8.270 nan 0.000 0.440 322 A N -0.023 122.747 122.820 -0.084 0.000 2.374 322 A HA 0.570 4.890 4.320 -0.000 0.000 0.317 322 A C -1.493 175.980 177.584 -0.185 0.000 1.094 322 A CA -0.871 51.034 52.037 -0.219 0.000 0.765 322 A CB 1.157 20.025 19.000 -0.219 0.000 1.268 322 A HN 0.264 nan 8.150 nan 0.000 0.438 323 D N 0.390 120.570 120.400 -0.367 0.000 2.248 323 D HA 0.527 5.167 4.640 -0.000 0.000 0.246 323 D C -1.465 174.526 176.300 -0.516 0.000 1.027 323 D CA 0.456 54.301 54.000 -0.258 0.000 0.853 323 D CB 1.431 42.133 40.800 -0.165 0.000 1.243 323 D HN 0.411 nan 8.370 nan 0.000 0.462 324 Y N -0.008 120.253 120.300 -0.064 0.000 2.429 324 Y HA 0.456 5.005 4.550 -0.000 0.000 0.342 324 Y C 0.523 176.360 175.900 -0.105 0.000 1.004 324 Y CA -0.879 57.175 58.100 -0.076 0.000 1.075 324 Y CB 1.874 40.295 38.460 -0.065 0.000 1.214 324 Y HN 0.139 nan 8.280 nan 0.000 0.455 325 V N -1.101 118.792 119.914 -0.035 0.000 3.156 325 V HA 0.954 5.074 4.120 -0.000 0.000 0.310 325 V C -0.602 175.487 176.094 -0.008 0.000 1.234 325 V CA -1.058 61.198 62.300 -0.074 0.000 1.065 325 V CB 1.690 33.334 31.823 -0.298 0.000 1.088 325 V HN 0.759 nan 8.190 nan 0.000 0.451 326 S N 0.709 116.431 115.700 0.036 0.000 2.599 326 S HA 0.888 5.358 4.470 -0.000 0.000 0.287 326 S C -1.150 173.513 174.600 0.105 0.000 1.105 326 S CA -0.754 57.492 58.200 0.077 0.000 0.899 326 S CB 2.010 65.262 63.200 0.086 0.000 1.100 326 S HN 0.887 nan 8.310 nan 0.000 0.482 327 I N 2.401 123.065 120.570 0.156 0.000 2.569 327 I HA 0.376 4.546 4.170 -0.000 0.000 0.290 327 I C 0.591 176.799 176.117 0.151 0.000 1.088 327 I CA -0.191 61.199 61.300 0.150 0.000 1.047 327 I CB 2.138 40.232 38.000 0.156 0.000 1.237 327 I HN 1.069 nan 8.210 nan 0.000 0.421 328 T N 0.539 115.139 114.554 0.076 0.000 2.816 328 T HA 0.205 4.555 4.350 -0.000 0.000 0.282 328 T C 0.889 175.602 174.700 0.022 0.000 0.993 328 T CA -0.413 61.736 62.100 0.082 0.000 0.994 328 T CB 1.255 70.170 68.868 0.078 0.000 1.025 328 T HN 0.446 nan 8.240 nan 0.000 0.529 329 D N 0.684 121.128 120.400 0.074 0.000 2.126 329 D HA -0.122 4.518 4.640 -0.000 0.000 0.190 329 D C 1.697 177.995 176.300 -0.003 0.000 1.001 329 D CA 1.538 55.564 54.000 0.042 0.000 0.841 329 D CB -0.340 40.532 40.800 0.120 0.000 0.949 329 D HN 0.631 nan 8.370 nan 0.000 0.446 330 D N 0.277 120.699 120.400 0.038 0.000 2.144 330 D HA -0.096 4.543 4.640 -0.000 0.000 0.200 330 D C 1.989 178.285 176.300 -0.007 0.000 0.978 330 D CA 0.667 54.680 54.000 0.022 0.000 0.833 330 D CB -0.207 40.618 40.800 0.042 0.000 0.961 330 D HN 0.404 nan 8.370 nan 0.000 0.470 331 E N 0.625 120.813 120.200 -0.020 0.000 2.077 331 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 331 E C 2.122 178.675 176.600 -0.078 0.000 0.989 331 E CA 0.994 57.374 56.400 -0.033 0.000 0.800 331 E CB -0.046 29.644 29.700 -0.016 0.000 0.746 331 E HN 0.183 nan 8.360 nan 0.000 0.452 332 A N 1.204 123.904 122.820 -0.199 0.000 1.902 332 A HA -0.178 4.141 4.320 -0.000 0.000 0.217 332 A C 2.203 179.738 177.584 -0.082 0.000 1.181 332 A CA 1.142 53.005 52.037 -0.289 0.000 0.623 332 A CB -0.691 17.855 19.000 -0.757 0.000 0.818 332 A HN 0.136 nan 8.150 nan 0.000 0.443 333 L N -0.707 120.477 121.223 -0.064 0.000 2.046 333 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 333 L C 2.774 179.689 176.870 0.074 0.000 1.077 333 L CA 1.669 56.502 54.840 -0.012 0.000 0.747 333 L CB -0.443 41.596 42.059 -0.033 0.000 0.896 333 L HN 0.503 nan 8.230 nan 0.000 0.432 334 E N 0.597 120.823 120.200 0.044 0.000 2.077 334 E HA -0.231 4.118 4.350 -0.000 0.000 0.193 334 E C 2.150 178.797 176.600 0.079 0.000 0.989 334 E CA 1.426 57.861 56.400 0.058 0.000 0.800 334 E CB 0.094 29.812 29.700 0.029 0.000 0.746 334 E HN 0.440 nan 8.360 nan 0.000 0.452 335 A N 0.614 123.472 122.820 0.064 0.000 1.933 335 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 335 A C 2.081 179.730 177.584 0.110 0.000 1.175 335 A CA 1.246 53.322 52.037 0.064 0.000 0.628 335 A CB -0.930 18.093 19.000 0.039 0.000 0.814 335 A HN 0.424 nan 8.150 nan 0.000 0.444 336 F N 0.908 120.852 119.950 -0.010 0.000 2.069 336 F HA -0.197 4.329 4.527 -0.000 0.000 0.298 336 F C 2.199 178.003 175.800 0.006 0.000 1.113 336 F CA 2.326 60.326 58.000 -0.000 0.000 1.214 336 F CB -0.193 38.804 39.000 -0.005 0.000 0.978 336 F HN 0.118 nan 8.300 nan 0.000 0.474 337 K N -0.587 119.991 120.400 0.297 0.000 2.057 337 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 337 K C 2.001 178.635 176.600 0.057 0.000 1.049 337 K CA 1.960 58.345 56.287 0.163 0.000 0.931 337 K CB -0.650 31.945 32.500 0.159 0.000 0.714 337 K HN 0.277 nan 8.250 nan 0.000 0.440 338 T N 1.894 116.502 114.554 0.089 0.000 2.746 338 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 338 T C 1.749 176.524 174.700 0.125 0.000 1.039 338 T CA 0.974 63.168 62.100 0.156 0.000 1.142 338 T CB -0.177 68.751 68.868 0.099 0.000 0.866 338 T HN 0.055 nan 8.240 nan 0.000 0.444 339 L N 0.726 121.952 121.223 0.005 0.000 2.056 339 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 339 L C 2.557 179.369 176.870 -0.096 0.000 1.078 339 L CA 1.472 56.287 54.840 -0.043 0.000 0.749 339 L CB -0.829 41.175 42.059 -0.093 0.000 0.901 339 L HN 0.328 nan 8.230 nan 0.000 0.433 340 C N -0.806 118.382 119.300 -0.185 0.000 2.413 340 C HA -0.163 4.297 4.460 -0.000 0.000 0.276 340 C C 2.898 177.802 174.990 -0.143 0.000 1.236 340 C CA 1.151 60.048 59.018 -0.202 0.000 1.735 340 C CB -0.985 26.605 27.740 -0.250 0.000 2.031 340 C HN 0.568 nan 8.230 nan 0.000 0.474 341 R N -0.045 120.364 120.500 -0.150 0.000 2.119 341 R HA -0.017 4.323 4.340 -0.000 0.000 0.222 341 R C 2.026 178.085 176.300 -0.402 0.000 1.088 341 R CA 1.568 57.503 56.100 -0.275 0.000 0.984 341 R CB -0.658 29.438 30.300 -0.340 0.000 0.884 341 R HN 0.652 nan 8.270 nan 0.000 0.447 342 H N -0.945 118.093 119.070 -0.053 0.000 2.582 342 H HA 0.236 4.791 4.556 -0.000 0.000 0.269 342 H C 0.527 175.823 175.328 -0.052 0.000 0.962 342 H CA 0.572 56.591 56.048 -0.048 0.000 1.230 342 H CB 0.904 30.639 29.762 -0.045 0.000 1.445 342 H HN 0.199 nan 8.280 nan 0.000 0.528 343 E N -0.372 119.838 120.200 0.017 0.000 2.606 343 E HA 0.137 4.486 4.350 -0.000 0.000 0.224 343 E C 1.056 177.631 176.600 -0.040 0.000 0.930 343 E CA 0.379 56.773 56.400 -0.010 0.000 1.125 343 E CB 1.227 30.920 29.700 -0.012 0.000 1.123 343 E HN 0.446 nan 8.360 nan 0.000 0.522 344 G N 2.386 111.148 108.800 -0.064 0.000 2.249 344 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.273 344 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.273 344 G C 0.162 175.017 174.900 -0.075 0.000 1.036 344 G CA 0.589 45.646 45.100 -0.071 0.000 0.824 344 G HN 0.238 nan 8.290 nan 0.000 0.504 345 I N 0.196 120.709 120.570 -0.094 0.000 2.436 345 I HA 0.430 4.600 4.170 -0.000 0.000 0.289 345 I C 0.391 176.402 176.117 -0.176 0.000 1.010 345 I CA -1.103 60.137 61.300 -0.099 0.000 1.098 345 I CB 1.794 39.754 38.000 -0.067 0.000 1.266 345 I HN -0.054 nan 8.210 nan 0.000 0.434 346 I N 8.232 128.691 120.570 -0.186 0.000 2.291 346 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 346 I C -2.218 173.769 176.117 -0.216 0.000 1.050 346 I CA -1.706 59.402 61.300 -0.320 0.000 1.245 346 I CB 0.729 38.596 38.000 -0.220 0.000 1.405 346 I HN 0.235 nan 8.210 nan 0.000 0.478 347 P HA 0.274 nan 4.420 nan 0.000 0.284 347 P C -0.431 176.960 177.300 0.152 0.000 1.258 347 P CA -0.426 62.651 63.100 -0.038 0.000 0.824 347 P CB 1.406 33.090 31.700 -0.027 0.000 1.038 348 A N 2.809 125.722 122.820 0.156 0.000 2.520 348 A HA 0.046 4.366 4.320 -0.000 0.000 0.235 348 A C 1.668 179.403 177.584 0.251 0.000 1.065 348 A CA -0.108 52.046 52.037 0.196 0.000 0.764 348 A CB -0.692 18.390 19.000 0.136 0.000 1.002 348 A HN 0.651 nan 8.150 nan 0.000 0.502 349 L N 0.748 122.104 121.223 0.223 0.000 2.265 349 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 349 L C 2.237 179.265 176.870 0.263 0.000 1.117 349 L CA 1.419 56.378 54.840 0.199 0.000 0.782 349 L CB -0.422 41.680 42.059 0.071 0.000 0.914 349 L HN 0.852 nan 8.230 nan 0.000 0.441 350 E N -0.134 120.172 120.200 0.177 0.000 2.017 350 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 350 E C 2.288 178.996 176.600 0.178 0.000 0.997 350 E CA 1.656 58.130 56.400 0.124 0.000 0.804 350 E CB -0.234 29.501 29.700 0.059 0.000 0.757 350 E HN 0.284 nan 8.360 nan 0.000 0.448 351 S N 0.495 116.283 115.700 0.147 0.000 2.399 351 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 351 S C 2.033 176.721 174.600 0.147 0.000 1.022 351 S CA 0.978 59.249 58.200 0.119 0.000 0.983 351 S CB -0.255 63.001 63.200 0.093 0.000 0.803 351 S HN 0.098 nan 8.310 nan 0.000 0.480 352 S N 1.043 116.854 115.700 0.185 0.000 2.419 352 S HA -0.133 4.337 4.470 -0.000 0.000 0.235 352 S C 1.540 176.195 174.600 0.091 0.000 1.019 352 S CA 1.174 59.461 58.200 0.146 0.000 0.982 352 S CB -0.343 62.970 63.200 0.188 0.000 0.789 352 S HN 0.611 nan 8.310 nan 0.000 0.490 353 H N 1.443 120.553 119.070 0.067 0.000 2.357 353 H HA 0.121 4.677 4.556 -0.000 0.000 0.301 353 H C 2.361 177.732 175.328 0.072 0.000 1.082 353 H CA 1.357 57.441 56.048 0.059 0.000 1.342 353 H CB -0.513 29.270 29.762 0.035 0.000 1.389 353 H HN 0.404 nan 8.280 nan 0.000 0.511 354 A N 0.714 123.644 122.820 0.184 0.000 1.858 354 A HA -0.153 4.166 4.320 -0.000 0.000 0.216 354 A C 2.295 179.952 177.584 0.121 0.000 1.190 354 A CA 1.602 53.719 52.037 0.133 0.000 0.617 354 A CB -0.899 18.154 19.000 0.088 0.000 0.827 354 A HN 0.336 nan 8.150 nan 0.000 0.443 355 L N -0.043 121.235 121.223 0.091 0.000 2.013 355 L HA -0.160 4.179 4.340 -0.000 0.000 0.212 355 L C 2.714 179.612 176.870 0.047 0.000 1.073 355 L CA 2.401 57.277 54.840 0.059 0.000 0.753 355 L CB -0.936 41.151 42.059 0.046 0.000 0.890 355 L HN 0.382 nan 8.230 nan 0.000 0.432 356 A N -1.452 121.399 122.820 0.051 0.000 1.917 356 A HA -0.347 3.973 4.320 -0.000 0.000 0.219 356 A C 2.310 179.919 177.584 0.041 0.000 1.182 356 A CA 2.072 54.127 52.037 0.030 0.000 0.633 356 A CB -1.125 17.878 19.000 0.005 0.000 0.819 356 A HN 0.748 nan 8.150 nan 0.000 0.448 357 H N -0.336 118.744 119.070 0.018 0.000 2.389 357 H HA 0.123 4.679 4.556 -0.000 0.000 0.299 357 H C 2.152 177.482 175.328 0.003 0.000 1.081 357 H CA 1.598 57.655 56.048 0.015 0.000 1.345 357 H CB -0.220 29.557 29.762 0.026 0.000 1.393 357 H HN 0.400 nan 8.280 nan 0.000 0.520 358 A N 0.453 123.257 122.820 -0.028 0.000 1.933 358 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 358 A C 2.453 179.973 177.584 -0.107 0.000 1.175 358 A CA 1.401 53.397 52.037 -0.068 0.000 0.628 358 A CB -0.793 18.207 19.000 0.000 0.000 0.814 358 A HN 0.476 nan 8.150 nan 0.000 0.444 359 L N -0.712 120.462 121.223 -0.080 0.000 2.083 359 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 359 L C 2.627 179.434 176.870 -0.107 0.000 1.083 359 L CA 1.863 56.656 54.840 -0.079 0.000 0.752 359 L CB -0.406 41.622 42.059 -0.052 0.000 0.899 359 L HN 0.478 nan 8.230 nan 0.000 0.433 360 K N 0.409 120.721 120.400 -0.147 0.000 2.057 360 K HA -0.189 4.130 4.320 -0.000 0.000 0.207 360 K C 2.189 178.673 176.600 -0.193 0.000 1.049 360 K CA 1.439 57.627 56.287 -0.166 0.000 0.931 360 K CB -0.042 32.344 32.500 -0.190 0.000 0.714 360 K HN 0.178 nan 8.250 nan 0.000 0.440 361 M N 0.379 119.814 119.600 -0.275 0.000 2.108 361 M HA -0.198 4.282 4.480 -0.000 0.000 0.261 361 M C 2.449 178.680 176.300 -0.115 0.000 1.066 361 M CA 1.772 56.953 55.300 -0.198 0.000 1.107 361 M CB -0.248 32.235 32.600 -0.195 0.000 1.356 361 M HN 0.328 nan 8.290 nan 0.000 0.406 362 M N 0.170 119.707 119.600 -0.104 0.000 2.077 362 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 362 M C 2.116 178.375 176.300 -0.069 0.000 1.070 362 M CA 1.887 57.141 55.300 -0.076 0.000 1.125 362 M CB -0.098 32.458 32.600 -0.074 0.000 1.339 362 M HN 0.075 nan 8.290 nan 0.000 0.409 363 R N -0.095 120.361 120.500 -0.073 0.000 2.115 363 R HA -0.068 4.272 4.340 -0.000 0.000 0.226 363 R C 2.011 178.281 176.300 -0.051 0.000 1.100 363 R CA 1.473 57.537 56.100 -0.060 0.000 0.980 363 R CB -0.256 30.009 30.300 -0.058 0.000 0.875 363 R HN 0.562 nan 8.270 nan 0.000 0.445 364 E N 0.547 120.713 120.200 -0.057 0.000 2.150 364 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 364 E C 0.244 176.822 176.600 -0.037 0.000 0.985 364 E CA 0.900 57.273 56.400 -0.045 0.000 0.814 364 E CB 0.268 29.938 29.700 -0.049 0.000 0.752 364 E HN 0.352 nan 8.360 nan 0.000 0.466 365 Q N -0.266 119.509 119.800 -0.041 0.000 3.230 365 Q HA 0.129 4.469 4.340 -0.000 0.000 0.303 365 Q C -2.195 173.784 176.000 -0.035 0.000 0.884 365 Q CA -1.183 54.599 55.803 -0.034 0.000 0.859 365 Q CB 1.445 30.164 28.738 -0.032 0.000 1.432 365 Q HN 0.082 nan 8.270 nan 0.000 0.403 366 P HA -0.131 nan 4.420 nan 0.000 0.226 366 P C 0.381 177.663 177.300 -0.030 0.000 1.153 366 P CA 1.061 64.140 63.100 -0.036 0.000 0.777 366 P CB 0.514 32.193 31.700 -0.035 0.000 0.794 367 E N -0.248 119.937 120.200 -0.025 0.000 2.463 367 E HA 0.065 4.415 4.350 -0.000 0.000 0.193 367 E C 0.600 177.188 176.600 -0.019 0.000 1.041 367 E CA -0.126 56.261 56.400 -0.021 0.000 0.879 367 E CB 0.037 29.726 29.700 -0.017 0.000 0.997 367 E HN 0.345 nan 8.360 nan 0.000 0.478 368 K N 2.159 122.546 120.400 -0.022 0.000 2.312 368 K HA 0.043 4.363 4.320 -0.000 0.000 0.287 368 K C -0.092 176.495 176.600 -0.020 0.000 1.062 368 K CA -0.109 56.166 56.287 -0.021 0.000 0.934 368 K CB 0.552 33.038 32.500 -0.024 0.000 1.027 368 K HN -0.113 nan 8.250 nan 0.000 0.478 369 E N 4.798 124.989 120.200 -0.016 0.000 2.257 369 E HA -0.024 4.326 4.350 -0.000 0.000 0.278 369 E C -1.122 175.470 176.600 -0.012 0.000 1.049 369 E CA -0.085 56.307 56.400 -0.012 0.000 0.876 369 E CB 0.542 30.238 29.700 -0.008 0.000 1.035 369 E HN 0.604 nan 8.360 nan 0.000 0.419 370 Q N 3.518 123.312 119.800 -0.011 0.000 2.353 370 Q HA 0.399 4.739 4.340 -0.000 0.000 0.275 370 Q C -1.753 174.248 176.000 0.001 0.000 1.029 370 Q CA -1.064 54.732 55.803 -0.011 0.000 0.848 370 Q CB 1.201 29.926 28.738 -0.021 0.000 1.390 370 Q HN 0.437 nan 8.270 nan 0.000 0.401 371 L N 3.237 124.465 121.223 0.008 0.000 2.294 371 L HA 0.559 4.899 4.340 -0.000 0.000 0.283 371 L C -1.835 175.048 176.870 0.022 0.000 1.015 371 L CA -0.418 54.445 54.840 0.038 0.000 0.831 371 L CB 1.197 43.283 42.059 0.045 0.000 1.217 371 L HN 0.732 nan 8.230 nan 0.000 0.420 372 L N 5.589 126.840 121.223 0.046 0.000 2.346 372 L HA 0.722 5.061 4.340 -0.000 0.000 0.274 372 L C -0.877 176.036 176.870 0.072 0.000 1.007 372 L CA -1.062 53.794 54.840 0.026 0.000 0.818 372 L CB 2.178 44.245 42.059 0.013 0.000 1.284 372 L HN 0.229 nan 8.230 nan 0.000 0.424 373 V N 3.149 123.083 119.914 0.033 0.000 2.487 373 V HA 0.403 4.523 4.120 -0.000 0.000 0.298 373 V C -0.159 175.969 176.094 0.056 0.000 1.028 373 V CA -0.649 61.690 62.300 0.066 0.000 0.860 373 V CB 2.344 34.180 31.823 0.022 0.000 0.991 373 V HN 0.422 nan 8.190 nan 0.000 0.427 374 V N 3.961 123.919 119.914 0.073 0.000 2.394 374 V HA 0.354 4.474 4.120 -0.000 0.000 0.282 374 V C 0.235 176.367 176.094 0.064 0.000 1.031 374 V CA -0.697 61.643 62.300 0.066 0.000 0.881 374 V CB 1.806 33.664 31.823 0.058 0.000 0.982 374 V HN 0.892 nan 8.190 nan 0.000 0.451 375 N N 4.054 122.786 118.700 0.053 0.000 2.405 375 N HA 0.129 4.869 4.740 -0.000 0.000 0.260 375 N C -0.630 174.895 175.510 0.025 0.000 1.152 375 N CA -0.178 52.892 53.050 0.032 0.000 0.948 375 N CB 0.659 39.140 38.487 -0.009 0.000 1.111 375 N HN 0.554 nan 8.380 nan 0.000 0.485 376 L N 3.722 124.968 121.223 0.039 0.000 2.358 376 L HA 0.187 4.527 4.340 -0.000 0.000 0.274 376 L C 1.399 178.299 176.870 0.049 0.000 1.136 376 L CA 0.115 54.981 54.840 0.043 0.000 0.970 376 L CB -0.220 41.864 42.059 0.043 0.000 1.314 376 L HN 0.672 nan 8.230 nan 0.000 0.427 377 S N 1.347 117.070 115.700 0.039 0.000 2.447 377 S HA 0.214 4.684 4.470 -0.000 0.000 0.233 377 S C 0.862 175.565 174.600 0.172 0.000 1.006 377 S CA 0.393 58.630 58.200 0.061 0.000 0.957 377 S CB -0.199 62.971 63.200 -0.050 0.000 0.773 377 S HN 0.659 nan 8.310 nan 0.000 0.507 378 G N 0.689 109.560 108.800 0.119 0.000 2.623 378 G HA2 0.563 4.523 3.960 -0.000 0.000 0.290 378 G HA3 0.563 4.523 3.960 -0.000 0.000 0.290 378 G C -1.336 173.610 174.900 0.076 0.000 1.437 378 G CA -1.341 43.821 45.100 0.105 0.000 0.798 378 G HN 0.492 nan 8.290 nan 0.000 0.488 379 R N -1.139 119.396 120.500 0.058 0.000 2.528 379 R HA 0.658 4.998 4.340 -0.000 0.000 0.271 379 R C 0.711 177.055 176.300 0.074 0.000 1.056 379 R CA -0.068 56.059 56.100 0.045 0.000 1.117 379 R CB 1.359 31.672 30.300 0.023 0.000 1.085 379 R HN 0.674 nan 8.270 nan 0.000 0.530 380 G N 0.122 108.973 108.800 0.084 0.000 3.575 380 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.273 380 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.273 380 G C 0.170 175.163 174.900 0.155 0.000 1.053 380 G CA -0.318 44.896 45.100 0.190 0.000 0.803 380 G HN 0.681 nan 8.290 nan 0.000 0.528 381 D N 2.013 122.451 120.400 0.064 0.000 2.133 381 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 381 D C 2.477 178.773 176.300 -0.007 0.000 0.997 381 D CA 1.212 55.221 54.000 0.016 0.000 0.840 381 D CB 0.084 40.886 40.800 0.003 0.000 0.947 381 D HN 0.603 nan 8.370 nan 0.000 0.452 382 K N 0.617 121.041 120.400 0.040 0.000 2.281 382 K HA -0.142 4.178 4.320 -0.000 0.000 0.203 382 K C 0.717 177.350 176.600 0.055 0.000 1.046 382 K CA 1.283 57.607 56.287 0.061 0.000 0.938 382 K CB 0.088 32.632 32.500 0.074 0.000 0.737 382 K HN -0.004 nan 8.250 nan 0.000 0.458 383 D N 0.373 120.800 120.400 0.045 0.000 2.349 383 D HA 0.065 4.704 4.640 -0.000 0.000 0.214 383 D C 1.507 177.762 176.300 -0.076 0.000 1.063 383 D CA 0.004 54.003 54.000 -0.001 0.000 0.847 383 D CB 0.168 40.959 40.800 -0.014 0.000 0.933 383 D HN 0.129 nan 8.370 nan 0.000 0.513 384 I N 0.630 121.131 120.570 -0.115 0.000 2.194 384 I HA -0.281 3.889 4.170 -0.000 0.000 0.246 384 I C 1.794 177.791 176.117 -0.201 0.000 1.093 384 I CA 1.259 62.441 61.300 -0.197 0.000 1.355 384 I CB -0.259 37.511 38.000 -0.383 0.000 1.046 384 I HN -0.083 nan 8.210 nan 0.000 0.413 385 F N -0.250 119.730 119.950 0.050 0.000 2.163 385 F HA -0.137 4.390 4.527 -0.000 0.000 0.297 385 F C 2.613 178.442 175.800 0.048 0.000 1.094 385 F CA 1.406 59.428 58.000 0.036 0.000 1.290 385 F CB -1.752 37.249 39.000 0.002 0.000 1.017 385 F HN -0.054 nan 8.300 nan 0.000 0.483 386 T N 0.038 114.693 114.554 0.169 0.000 2.652 386 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 386 T C 2.272 176.980 174.700 0.013 0.000 1.039 386 T CA 1.710 63.853 62.100 0.073 0.000 1.153 386 T CB -0.638 68.237 68.868 0.013 0.000 0.863 386 T HN 0.037 nan 8.240 nan 0.000 0.428 387 V N 1.040 120.904 119.914 -0.084 0.000 2.427 387 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 387 V C 2.359 178.446 176.094 -0.011 0.000 1.051 387 V CA 1.498 63.707 62.300 -0.152 0.000 1.048 387 V CB -0.714 30.874 31.823 -0.392 0.000 0.666 387 V HN 0.600 nan 8.190 nan 0.000 0.456 388 H N 0.829 119.891 119.070 -0.013 0.000 2.267 388 H HA -0.184 4.372 4.556 -0.000 0.000 0.297 388 H C 2.158 177.511 175.328 0.042 0.000 1.080 388 H CA 2.334 58.403 56.048 0.035 0.000 1.278 388 H CB -0.131 29.681 29.762 0.083 0.000 1.365 388 H HN 0.401 nan 8.280 nan 0.000 0.489 389 D N 0.384 120.939 120.400 0.257 0.000 2.117 389 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 389 D C 2.589 178.938 176.300 0.082 0.000 0.987 389 D CA 0.961 55.070 54.000 0.182 0.000 0.829 389 D CB -0.396 40.493 40.800 0.149 0.000 0.961 389 D HN 0.426 nan 8.370 nan 0.000 0.460 390 I N 0.524 121.125 120.570 0.051 0.000 2.142 390 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 390 I C 2.400 178.518 176.117 0.001 0.000 1.078 390 I CA 0.805 62.120 61.300 0.026 0.000 1.343 390 I CB -0.167 37.842 38.000 0.014 0.000 1.046 390 I HN -0.028 nan 8.210 nan 0.000 0.405 391 L N 0.328 121.534 121.223 -0.028 0.000 2.191 391 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 391 L C 2.599 179.429 176.870 -0.066 0.000 1.103 391 L CA 1.117 55.924 54.840 -0.054 0.000 0.769 391 L CB -0.613 41.394 42.059 -0.087 0.000 0.908 391 L HN 0.267 nan 8.230 nan 0.000 0.438 392 K N 0.612 120.973 120.400 -0.065 0.000 2.062 392 K HA -0.091 4.228 4.320 -0.000 0.000 0.205 392 K C 2.099 178.699 176.600 0.001 0.000 1.051 392 K CA 1.273 57.538 56.287 -0.036 0.000 0.941 392 K CB 0.016 32.530 32.500 0.024 0.000 0.719 392 K HN 0.236 nan 8.250 nan 0.000 0.440 393 A N 1.478 124.307 122.820 0.015 0.000 2.019 393 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 393 A C 1.981 179.569 177.584 0.006 0.000 1.164 393 A CA 1.192 53.239 52.037 0.017 0.000 0.644 393 A CB -0.273 18.741 19.000 0.024 0.000 0.805 393 A HN 0.326 nan 8.150 nan 0.000 0.449 394 R N -1.407 119.094 120.500 0.000 0.000 2.254 394 R HA 0.332 4.671 4.340 -0.000 0.000 0.195 394 R C 1.096 177.393 176.300 -0.006 0.000 0.957 394 R CA 0.423 56.522 56.100 -0.003 0.000 1.024 394 R CB -0.125 30.174 30.300 -0.002 0.000 0.952 394 R HN 0.625 nan 8.270 nan 0.000 0.484 395 G N 0.000 108.793 108.800 -0.011 0.000 5.446 395 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 395 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 395 G CA 0.000 45.092 45.100 -0.013 0.000 0.502 395 G HN 0.000 nan 8.290 nan 0.000 0.925