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 1x7p_1_B DATA FIRST_RESID 19 DATA SEQUENCE NARFQQWQAL LGNRNKRTRA GEFLVMGVRP ISLAVEHGWP VRTLLYDXXR DATA SEQUENCE ELSKWARELL RTVRTEQIAM APDLLMXXXX XXXXPPEVVA VVEMPADDLD DATA SEQUENCE RIPVREDFLG VLFDRPTSPG NIGSIIRSAD ALGAHGLIVA GHAADVYDPK DATA SEQUENCE SVRSSTGSLF SLPAVRVPSP GEVMDWVEAR RAAGTPIVLV GTDEHGDCDV DATA SEQUENCE FDFDFTQPTL LLIGNETAGL SNAWRTLCDY TVSIPMAGSA SSLNAANAAT DATA SEQUENCE AILYEAVRQR ISG 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 19 N HA 0.000 nan 4.740 nan 0.000 0.220 19 N C 0.000 175.531 175.510 0.035 0.000 1.280 19 N CA 0.000 53.056 53.050 0.009 0.000 0.885 19 N CB 0.000 38.498 38.487 0.018 0.000 1.341 20 A N 0.700 123.515 122.820 -0.009 0.000 1.703 20 A HA 0.316 4.636 4.320 -0.000 0.000 0.211 20 A C 1.392 178.869 177.584 -0.179 0.000 1.773 20 A CA -0.052 51.946 52.037 -0.066 0.000 1.186 20 A CB 0.050 19.006 19.000 -0.074 0.000 1.117 20 A HN 0.428 nan 8.150 nan 0.000 0.501 21 R N -1.013 119.306 120.500 -0.303 0.000 2.189 21 R HA 0.010 4.350 4.340 -0.000 0.000 0.223 21 R C 1.758 177.400 176.300 -1.096 0.000 1.092 21 R CA 1.317 57.027 56.100 -0.650 0.000 0.989 21 R CB -0.343 29.557 30.300 -0.667 0.000 0.876 21 R HN 0.587 nan 8.270 nan 0.000 0.457 22 F N 1.669 121.193 119.950 -0.710 0.000 2.134 22 F HA -0.242 4.285 4.527 0.000 0.000 0.299 22 F C 2.020 177.747 175.800 -0.121 0.000 1.097 22 F CA 1.536 59.379 58.000 -0.261 0.000 1.264 22 F CB 0.147 39.141 39.000 -0.009 0.000 1.001 22 F HN -0.066 nan 8.300 nan 0.000 0.479 23 Q N -0.196 119.494 119.800 -0.183 0.000 2.369 23 Q HA -0.165 4.175 4.340 -0.000 0.000 0.206 23 Q C 2.079 177.952 176.000 -0.210 0.000 0.963 23 Q CA 0.788 56.474 55.803 -0.195 0.000 0.894 23 Q CB -0.164 28.539 28.738 -0.059 0.000 0.965 23 Q HN 0.390 nan 8.270 nan 0.000 0.475 24 Q N -1.108 118.521 119.800 -0.285 0.000 2.187 24 Q HA -0.092 4.248 4.340 -0.000 0.000 0.199 24 Q C 1.127 177.073 176.000 -0.091 0.000 0.957 24 Q CA 0.886 56.561 55.803 -0.213 0.000 0.857 24 Q CB 0.138 28.707 28.738 -0.281 0.000 0.929 24 Q HN 0.516 nan 8.270 nan 0.000 0.453 25 W N 0.971 122.179 121.300 -0.153 0.000 2.402 25 W HA -0.050 4.610 4.660 -0.000 0.000 0.286 25 W C 1.951 178.327 176.519 -0.238 0.000 1.221 25 W CA 0.461 57.700 57.345 -0.177 0.000 1.257 25 W CB -0.707 28.642 29.460 -0.183 0.000 1.120 25 W HN 0.345 nan 8.180 nan 0.000 0.551 26 Q N -0.084 119.619 119.800 -0.162 0.000 2.187 26 Q HA -0.006 4.334 4.340 -0.000 0.000 0.199 26 Q C 2.301 178.254 176.000 -0.078 0.000 0.957 26 Q CA 1.384 57.067 55.803 -0.200 0.000 0.857 26 Q CB -0.117 28.423 28.738 -0.330 0.000 0.929 26 Q HN 0.075 nan 8.270 nan 0.000 0.453 27 A N 0.321 123.107 122.820 -0.057 0.000 2.066 27 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 27 A C 1.847 179.441 177.584 0.017 0.000 1.157 27 A CA 0.676 52.701 52.037 -0.019 0.000 0.670 27 A CB -0.369 18.617 19.000 -0.023 0.000 0.804 27 A HN 0.385 nan 8.150 nan 0.000 0.453 28 L N -0.806 120.443 121.223 0.042 0.000 2.217 28 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 28 L C 2.430 179.345 176.870 0.075 0.000 1.107 28 L CA 0.479 55.366 54.840 0.079 0.000 0.783 28 L CB -0.507 41.624 42.059 0.120 0.000 0.919 28 L HN 0.364 nan 8.230 nan 0.000 0.442 29 L N -0.220 121.030 121.223 0.045 0.000 1.988 29 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 29 L C 1.793 178.682 176.870 0.033 0.000 1.071 29 L CA 1.034 55.897 54.840 0.038 0.000 0.744 29 L CB -0.880 41.187 42.059 0.014 0.000 0.893 29 L HN 0.292 nan 8.230 nan 0.000 0.433 30 G N -0.034 108.778 108.800 0.019 0.000 2.570 30 G HA2 0.016 3.976 3.960 -0.000 0.000 0.276 30 G HA3 0.016 3.976 3.960 -0.000 0.000 0.276 30 G C -0.340 174.574 174.900 0.024 0.000 1.346 30 G CA -0.122 44.988 45.100 0.017 0.000 1.034 30 G HN 0.599 nan 8.290 nan 0.000 0.512 31 N N -1.212 117.499 118.700 0.018 0.000 1.833 31 N HA -0.250 4.490 4.740 -0.000 0.000 0.328 31 N C 1.267 176.795 175.510 0.030 0.000 1.194 31 N CA 1.289 54.351 53.050 0.020 0.000 0.813 31 N CB 0.232 38.729 38.487 0.016 0.000 1.017 31 N HN 0.781 nan 8.380 nan 0.000 0.499 32 R N 1.366 121.884 120.500 0.030 0.000 2.275 32 R HA 0.011 4.351 4.340 -0.000 0.000 0.199 32 R C 0.619 176.942 176.300 0.038 0.000 0.989 32 R CA 0.571 56.695 56.100 0.040 0.000 1.016 32 R CB -0.463 29.857 30.300 0.033 0.000 0.918 32 R HN 0.644 nan 8.270 nan 0.000 0.473 33 N N 1.533 120.252 118.700 0.030 0.000 2.058 33 N HA -0.123 4.617 4.740 -0.000 0.000 0.191 33 N C 1.330 176.856 175.510 0.027 0.000 1.037 33 N CA 1.371 54.438 53.050 0.027 0.000 0.848 33 N CB -0.035 38.465 38.487 0.022 0.000 1.021 33 N HN 0.294 nan 8.380 nan 0.000 0.422 34 K N 1.243 121.659 120.400 0.026 0.000 2.097 34 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 34 K C 2.087 178.711 176.600 0.039 0.000 1.049 34 K CA 0.634 56.937 56.287 0.026 0.000 0.933 34 K CB -0.143 32.369 32.500 0.020 0.000 0.717 34 K HN 0.214 nan 8.250 nan 0.000 0.442 35 R N 0.265 120.796 120.500 0.052 0.000 2.091 35 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 35 R C 2.299 178.624 176.300 0.042 0.000 1.136 35 R CA 1.731 57.871 56.100 0.068 0.000 0.959 35 R CB -0.412 29.941 30.300 0.088 0.000 0.856 35 R HN 0.191 nan 8.270 nan 0.000 0.437 36 T N 0.157 114.732 114.554 0.034 0.000 2.777 36 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 36 T C 1.765 176.476 174.700 0.019 0.000 1.040 36 T CA 1.271 63.385 62.100 0.023 0.000 1.141 36 T CB -0.113 68.774 68.868 0.031 0.000 0.868 36 T HN 0.292 nan 8.240 nan 0.000 0.444 37 R N 0.930 121.444 120.500 0.022 0.000 2.090 37 R HA 0.105 4.445 4.340 -0.000 0.000 0.228 37 R C 2.353 178.665 176.300 0.020 0.000 1.110 37 R CA 1.239 57.350 56.100 0.018 0.000 0.973 37 R CB -0.319 29.991 30.300 0.016 0.000 0.869 37 R HN 0.322 nan 8.270 nan 0.000 0.440 38 A N -0.061 122.776 122.820 0.029 0.000 2.119 38 A HA 0.178 4.498 4.320 -0.000 0.000 0.216 38 A C 1.392 179.000 177.584 0.039 0.000 1.152 38 A CA 0.712 52.771 52.037 0.037 0.000 0.708 38 A CB -0.451 18.581 19.000 0.053 0.000 0.805 38 A HN 0.568 nan 8.150 nan 0.000 0.460 39 G N 0.073 108.890 108.800 0.028 0.000 2.295 39 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.287 39 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.287 39 G C -0.159 174.772 174.900 0.052 0.000 1.055 39 G CA 0.820 45.929 45.100 0.015 0.000 0.922 39 G HN 1.295 nan 8.290 nan 0.000 0.503 40 E N -1.392 118.866 120.200 0.096 0.000 2.416 40 E HA 0.778 5.128 4.350 -0.000 0.000 0.280 40 E C -0.690 176.078 176.600 0.280 0.000 1.055 40 E CA -1.212 55.300 56.400 0.187 0.000 0.825 40 E CB 1.579 31.340 29.700 0.101 0.000 1.312 40 E HN 1.011 nan 8.360 nan 0.000 0.452 41 F N -0.722 119.233 119.950 0.009 0.000 2.711 41 F HA 0.677 5.204 4.527 0.000 0.000 0.313 41 F C -2.130 173.700 175.800 0.051 0.000 1.141 41 F CA -1.413 56.610 58.000 0.038 0.000 0.941 41 F CB 0.594 39.627 39.000 0.056 0.000 1.349 41 F HN 0.339 nan 8.300 nan 0.000 0.464 42 L N 2.214 123.488 121.223 0.086 0.000 2.312 42 L HA 0.765 5.105 4.340 -0.000 0.000 0.281 42 L C -0.581 176.288 176.870 -0.002 0.000 1.070 42 L CA -0.597 54.216 54.840 -0.045 0.000 0.805 42 L CB 1.664 43.727 42.059 0.007 0.000 1.174 42 L HN 0.605 nan 8.230 nan 0.000 0.434 43 V N 4.464 124.321 119.914 -0.094 0.000 2.623 43 V HA 0.563 4.683 4.120 -0.000 0.000 0.304 43 V C -0.225 175.838 176.094 -0.052 0.000 1.054 43 V CA -0.737 61.554 62.300 -0.015 0.000 0.882 43 V CB 1.793 33.601 31.823 -0.025 0.000 1.002 43 V HN 0.758 nan 8.190 nan 0.000 0.424 44 M N 2.504 122.088 119.600 -0.025 0.000 2.535 44 M HA 0.974 5.454 4.480 -0.000 0.000 0.314 44 M C 0.082 176.337 176.300 -0.075 0.000 1.153 44 M CA -0.377 54.890 55.300 -0.056 0.000 0.924 44 M CB 1.994 34.569 32.600 -0.042 0.000 1.710 44 M HN 1.080 nan 8.290 nan 0.000 0.451 45 G N 1.393 110.123 108.800 -0.117 0.000 3.069 45 G HA2 0.031 3.991 3.960 -0.000 0.000 0.686 45 G HA3 0.031 3.991 3.960 -0.000 0.000 0.686 45 G C -0.021 174.715 174.900 -0.273 0.000 1.161 45 G CA -0.382 44.611 45.100 -0.179 0.000 0.804 45 G HN 1.510 nan 8.290 nan 0.000 0.608 46 V N 1.236 120.898 119.914 -0.420 0.000 2.324 46 V HA -0.190 3.930 4.120 -0.000 0.000 0.250 46 V C 2.584 178.223 176.094 -0.758 0.000 1.060 46 V CA 2.661 64.568 62.300 -0.656 0.000 1.042 46 V CB -0.637 30.573 31.823 -1.021 0.000 0.650 46 V HN 0.895 nan 8.190 nan 0.000 0.450 47 R N 1.035 121.052 120.500 -0.806 0.000 2.062 47 R HA -0.059 4.281 4.340 -0.000 0.000 0.231 47 R C 0.465 176.693 176.300 -0.120 0.000 1.136 47 R CA 2.132 57.945 56.100 -0.477 0.000 0.948 47 R CB -1.595 28.498 30.300 -0.344 0.000 0.845 47 R HN 0.472 nan 8.270 nan 0.000 0.430 48 P HA -0.173 nan 4.420 nan 0.000 0.215 48 P C 1.302 178.582 177.300 -0.034 0.000 1.157 48 P CA 1.218 64.357 63.100 0.065 0.000 0.874 48 P CB -0.163 31.588 31.700 0.085 0.000 0.790 49 I N -0.737 119.752 120.570 -0.135 0.000 2.286 49 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 49 I C 2.070 178.087 176.117 -0.166 0.000 1.115 49 I CA 1.711 62.886 61.300 -0.207 0.000 1.392 49 I CB -1.960 35.943 38.000 -0.163 0.000 1.065 49 I HN -0.048 nan 8.210 nan 0.000 0.418 50 S N 1.001 116.678 115.700 -0.039 0.000 2.383 50 S HA -0.030 4.440 4.470 -0.000 0.000 0.227 50 S C 2.138 176.775 174.600 0.062 0.000 1.026 50 S CA 0.862 59.114 58.200 0.086 0.000 0.981 50 S CB -0.324 63.074 63.200 0.330 0.000 0.818 50 S HN 0.381 nan 8.310 nan 0.000 0.472 51 L N 1.162 122.423 121.223 0.063 0.000 2.083 51 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 51 L C 2.783 179.639 176.870 -0.023 0.000 1.083 51 L CA 1.152 56.078 54.840 0.143 0.000 0.752 51 L CB -0.672 41.526 42.059 0.230 0.000 0.899 51 L HN 0.332 nan 8.230 nan 0.000 0.433 52 A N -0.475 122.028 122.820 -0.529 0.000 1.930 52 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 52 A C 2.312 179.778 177.584 -0.197 0.000 1.175 52 A CA 1.600 53.111 52.037 -0.876 0.000 0.627 52 A CB -0.663 17.519 19.000 -1.363 0.000 0.815 52 A HN 0.199 nan 8.150 nan 0.000 0.443 53 V N -0.061 119.784 119.914 -0.115 0.000 2.379 53 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 53 V C 2.485 178.606 176.094 0.045 0.000 1.044 53 V CA 2.064 64.359 62.300 -0.009 0.000 1.036 53 V CB -0.561 31.254 31.823 -0.013 0.000 0.664 53 V HN 0.749 nan 8.190 nan 0.000 0.453 54 E N -0.672 119.557 120.200 0.048 0.000 2.208 54 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 54 E C 1.466 178.038 176.600 -0.047 0.000 0.988 54 E CA 0.785 57.186 56.400 0.001 0.000 0.828 54 E CB 0.019 29.718 29.700 -0.001 0.000 0.763 54 E HN 0.687 nan 8.360 nan 0.000 0.478 55 H N -1.125 118.039 119.070 0.157 0.000 2.507 55 H HA 0.172 4.728 4.556 -0.000 0.000 0.294 55 H C 0.819 176.363 175.328 0.360 0.000 1.064 55 H CA 0.554 56.765 56.048 0.272 0.000 1.138 55 H CB 0.938 30.914 29.762 0.357 0.000 1.515 55 H HN 0.378 nan 8.280 nan 0.000 0.547 56 G N 0.779 109.758 108.800 0.298 0.000 2.148 56 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.254 56 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.254 56 G C -0.305 174.725 174.900 0.217 0.000 0.981 56 G CA -0.119 45.101 45.100 0.201 0.000 0.670 56 G HN 0.277 nan 8.290 nan 0.000 0.528 57 W N 1.298 122.628 121.300 0.050 0.000 2.304 57 W HA 0.548 5.208 4.660 -0.000 0.000 0.313 57 W C -1.671 174.837 176.519 -0.019 0.000 1.323 57 W CA -2.066 55.300 57.345 0.035 0.000 1.223 57 W CB 0.200 29.668 29.460 0.013 0.000 1.237 57 W HN 0.020 nan 8.180 nan 0.000 0.535 58 P HA 0.125 nan 4.420 nan 0.000 0.271 58 P C -0.776 176.558 177.300 0.057 0.000 1.218 58 P CA -0.221 62.929 63.100 0.083 0.000 0.780 58 P CB 0.776 32.507 31.700 0.051 0.000 0.901 59 V N 4.800 124.722 119.914 0.012 0.000 2.357 59 V HA 0.204 4.324 4.120 -0.000 0.000 0.281 59 V C 1.140 177.223 176.094 -0.018 0.000 1.015 59 V CA -0.325 61.956 62.300 -0.033 0.000 0.827 59 V CB 1.095 32.883 31.823 -0.058 0.000 1.018 59 V HN 0.429 nan 8.190 nan 0.000 0.432 60 R N 1.802 122.294 120.500 -0.013 0.000 2.115 60 R HA 0.121 4.461 4.340 -0.000 0.000 0.226 60 R C 0.516 176.824 176.300 0.015 0.000 1.100 60 R CA 0.785 56.895 56.100 0.016 0.000 0.980 60 R CB 0.037 30.363 30.300 0.043 0.000 0.875 60 R HN 0.664 nan 8.270 nan 0.000 0.445 61 T N -0.353 114.181 114.554 -0.034 0.000 2.923 61 T HA 0.497 4.847 4.350 -0.000 0.000 0.311 61 T C -1.753 172.863 174.700 -0.139 0.000 1.183 61 T CA -0.650 61.411 62.100 -0.065 0.000 1.020 61 T CB 2.271 71.093 68.868 -0.078 0.000 1.165 61 T HN -0.183 nan 8.240 nan 0.000 0.482 62 L N 3.110 124.269 121.223 -0.108 0.000 2.457 62 L HA 0.588 4.928 4.340 -0.000 0.000 0.266 62 L C -1.422 175.422 176.870 -0.044 0.000 0.979 62 L CA -0.581 54.212 54.840 -0.080 0.000 0.857 62 L CB 0.957 43.010 42.059 -0.010 0.000 1.213 62 L HN 0.594 nan 8.230 nan 0.000 0.418 63 L N 5.630 126.772 121.223 -0.135 0.000 2.325 63 L HA 0.626 4.966 4.340 -0.000 0.000 0.279 63 L C -1.009 175.868 176.870 0.012 0.000 1.054 63 L CA -0.899 53.851 54.840 -0.150 0.000 0.804 63 L CB 1.259 43.144 42.059 -0.290 0.000 1.200 63 L HN 0.650 nan 8.230 nan 0.000 0.436 64 Y N -0.747 119.511 120.300 -0.070 0.000 2.519 64 Y HA 0.481 5.031 4.550 -0.000 0.000 0.336 64 Y C -0.677 175.206 175.900 -0.027 0.000 1.089 64 Y CA -1.502 56.569 58.100 -0.048 0.000 1.025 64 Y CB 0.941 39.376 38.460 -0.042 0.000 1.318 64 Y HN 0.580 nan 8.280 nan 0.000 0.452 69 E N 1.411 121.629 120.200 0.030 0.000 2.041 69 E HA -0.199 4.151 4.350 -0.000 0.000 0.227 69 E C -0.081 176.535 176.600 0.027 0.000 1.039 69 E CA 1.335 57.749 56.400 0.025 0.000 0.904 69 E CB -0.321 29.391 29.700 0.021 0.000 0.808 69 E HN -0.026 nan 8.360 nan 0.000 0.510 70 L N 0.758 121.999 121.223 0.029 0.000 2.883 70 L HA -0.170 4.170 4.340 -0.000 0.000 0.559 70 L C -0.364 176.521 176.870 0.025 0.000 1.001 70 L CA 0.707 55.561 54.840 0.023 0.000 1.291 70 L CB -1.329 40.739 42.059 0.015 0.000 1.557 70 L HN 0.359 nan 8.230 nan 0.000 0.761 71 S N 3.800 119.520 115.700 0.034 0.000 2.606 71 S HA 0.226 4.696 4.470 -0.000 0.000 0.257 71 S C 1.405 176.049 174.600 0.073 0.000 1.327 71 S CA -0.388 57.848 58.200 0.061 0.000 0.984 71 S CB 0.786 64.039 63.200 0.088 0.000 0.941 71 S HN 0.589 nan 8.310 nan 0.000 0.576 72 K N -0.145 120.310 120.400 0.092 0.000 2.057 72 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 72 K C 1.951 178.628 176.600 0.129 0.000 1.050 72 K CA 0.900 57.232 56.287 0.075 0.000 0.935 72 K CB -0.210 32.317 32.500 0.045 0.000 0.715 72 K HN 0.666 nan 8.250 nan 0.000 0.439 73 W N 1.934 123.218 121.300 -0.027 0.000 2.335 73 W HA -0.144 4.516 4.660 -0.000 0.000 0.311 73 W C 2.179 178.673 176.519 -0.041 0.000 1.213 73 W CA 1.804 59.131 57.345 -0.029 0.000 1.274 73 W CB -0.658 28.789 29.460 -0.021 0.000 1.148 73 W HN 0.094 nan 8.180 nan 0.000 0.498 74 A N 0.450 123.392 122.820 0.203 0.000 1.902 74 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 74 A C 2.088 179.678 177.584 0.009 0.000 1.181 74 A CA 1.980 54.047 52.037 0.051 0.000 0.623 74 A CB -0.805 18.192 19.000 -0.005 0.000 0.818 74 A HN 0.307 nan 8.150 nan 0.000 0.443 75 R N -0.760 119.747 120.500 0.011 0.000 2.080 75 R HA -0.175 4.165 4.340 -0.000 0.000 0.236 75 R C 2.287 178.575 176.300 -0.021 0.000 1.137 75 R CA 1.767 57.847 56.100 -0.033 0.000 0.943 75 R CB -0.309 29.981 30.300 -0.017 0.000 0.846 75 R HN 0.597 nan 8.270 nan 0.000 0.431 76 E N 0.645 120.859 120.200 0.025 0.000 2.160 76 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 76 E C 1.736 178.354 176.600 0.031 0.000 0.991 76 E CA 1.010 57.420 56.400 0.017 0.000 0.810 76 E CB -0.201 29.503 29.700 0.006 0.000 0.742 76 E HN 0.277 nan 8.360 nan 0.000 0.466 77 L N -0.406 120.859 121.223 0.071 0.000 2.046 77 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 77 L C 1.903 178.761 176.870 -0.021 0.000 1.077 77 L CA 0.732 55.601 54.840 0.049 0.000 0.747 77 L CB -0.295 41.794 42.059 0.050 0.000 0.896 77 L HN 0.286 nan 8.230 nan 0.000 0.432 78 L N 0.157 121.336 121.223 -0.074 0.000 2.017 78 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 78 L C 2.393 179.219 176.870 -0.073 0.000 1.073 78 L CA 1.788 56.554 54.840 -0.123 0.000 0.745 78 L CB -1.061 40.848 42.059 -0.250 0.000 0.894 78 L HN 0.393 nan 8.230 nan 0.000 0.432 79 R N -2.455 118.012 120.500 -0.056 0.000 2.423 79 R HA 0.134 4.474 4.340 -0.000 0.000 0.248 79 R C 0.904 177.190 176.300 -0.022 0.000 1.019 79 R CA 0.552 56.630 56.100 -0.037 0.000 1.119 79 R CB -0.338 29.940 30.300 -0.036 0.000 1.176 79 R HN 0.075 nan 8.270 nan 0.000 0.526 80 T N -0.647 113.897 114.554 -0.017 0.000 3.177 80 T HA 0.156 4.506 4.350 -0.000 0.000 0.262 80 T C 0.052 174.749 174.700 -0.005 0.000 0.959 80 T CA -0.098 61.996 62.100 -0.009 0.000 0.996 80 T CB 0.608 69.474 68.868 -0.003 0.000 1.185 80 T HN -0.024 nan 8.240 nan 0.000 0.486 81 V N 4.501 124.411 119.914 -0.007 0.000 2.370 81 V HA 0.328 4.448 4.120 -0.000 0.000 0.257 81 V C 0.178 176.269 176.094 -0.005 0.000 1.064 81 V CA -0.238 62.058 62.300 -0.006 0.000 0.975 81 V CB 0.252 32.067 31.823 -0.013 0.000 1.067 81 V HN 0.205 nan 8.190 nan 0.000 0.485 82 R N 3.413 123.913 120.500 0.000 0.000 2.870 82 R HA 0.415 4.755 4.340 -0.000 0.000 0.254 82 R C 0.147 176.453 176.300 0.010 0.000 1.392 82 R CA 0.074 56.177 56.100 0.005 0.000 1.322 82 R CB 0.627 30.931 30.300 0.006 0.000 1.205 82 R HN 0.760 nan 8.270 nan 0.000 0.597 83 T N -0.897 113.665 114.554 0.013 0.000 2.681 83 T HA 0.153 4.503 4.350 -0.000 0.000 0.296 83 T C -1.000 173.719 174.700 0.031 0.000 1.157 83 T CA -0.645 61.466 62.100 0.019 0.000 1.025 83 T CB 1.351 70.224 68.868 0.009 0.000 1.441 83 T HN 0.494 nan 8.240 nan 0.000 0.504 84 E N 1.241 121.465 120.200 0.040 0.000 2.493 84 E HA 0.073 4.423 4.350 -0.000 0.000 0.255 84 E C -0.672 175.966 176.600 0.063 0.000 0.999 84 E CA 0.473 56.908 56.400 0.059 0.000 0.934 84 E CB 0.299 30.045 29.700 0.077 0.000 0.940 84 E HN 0.340 nan 8.360 nan 0.000 0.473 85 Q N 4.422 124.278 119.800 0.094 0.000 2.327 85 Q HA 0.440 4.780 4.340 -0.000 0.000 0.270 85 Q C -0.846 175.263 176.000 0.182 0.000 1.022 85 Q CA -0.476 55.425 55.803 0.163 0.000 0.773 85 Q CB 1.638 30.489 28.738 0.188 0.000 1.251 85 Q HN 0.542 nan 8.270 nan 0.000 0.457 86 I N 1.790 122.407 120.570 0.079 0.000 2.436 86 I HA 0.530 4.700 4.170 -0.000 0.000 0.289 86 I C -0.207 175.613 176.117 -0.495 0.000 1.010 86 I CA -0.852 60.398 61.300 -0.084 0.000 1.098 86 I CB 1.889 39.897 38.000 0.013 0.000 1.266 86 I HN 0.551 nan 8.210 nan 0.000 0.434 87 A N 8.110 130.560 122.820 -0.617 0.000 2.371 87 A HA 0.829 5.149 4.320 -0.000 0.000 0.257 87 A C -0.221 177.134 177.584 -0.382 0.000 1.089 87 A CA -0.151 51.382 52.037 -0.840 0.000 0.794 87 A CB 0.575 19.273 19.000 -0.502 0.000 1.029 87 A HN 0.730 nan 8.150 nan 0.000 0.488 88 M N 1.093 120.501 119.600 -0.320 0.000 2.550 88 M HA 0.508 4.988 4.480 -0.000 0.000 0.292 88 M C 0.037 176.264 176.300 -0.121 0.000 1.221 88 M CA -0.532 54.669 55.300 -0.166 0.000 0.873 88 M CB 2.107 34.642 32.600 -0.108 0.000 1.727 88 M HN 0.808 nan 8.290 nan 0.000 0.459 89 A N 2.054 124.812 122.820 -0.104 0.000 2.425 89 A HA 0.413 4.733 4.320 -0.000 0.000 0.242 89 A C -1.812 175.741 177.584 -0.052 0.000 1.077 89 A CA -0.944 51.049 52.037 -0.073 0.000 0.781 89 A CB -0.485 18.468 19.000 -0.079 0.000 1.020 89 A HN 0.617 nan 8.150 nan 0.000 0.494 90 P HA -0.172 nan 4.420 nan 0.000 0.216 90 P C 0.669 177.965 177.300 -0.007 0.000 1.153 90 P CA 1.671 64.765 63.100 -0.011 0.000 0.858 90 P CB 0.076 31.773 31.700 -0.005 0.000 0.789 91 D N -0.677 119.712 120.400 -0.018 0.000 2.160 91 D HA -0.186 4.454 4.640 -0.000 0.000 0.189 91 D C 1.735 178.038 176.300 0.005 0.000 1.003 91 D CA 1.258 55.250 54.000 -0.013 0.000 0.846 91 D CB -0.737 40.042 40.800 -0.035 0.000 0.949 91 D HN 0.118 nan 8.370 nan 0.000 0.446 92 L N -0.130 121.074 121.223 -0.032 0.000 2.395 92 L HA 0.017 4.357 4.340 -0.000 0.000 0.218 92 L C 2.209 179.195 176.870 0.192 0.000 1.130 92 L CA 0.017 54.852 54.840 -0.008 0.000 0.826 92 L CB -0.153 41.693 42.059 -0.355 0.000 0.941 92 L HN 0.122 nan 8.230 nan 0.000 0.451 93 L N -0.556 120.732 121.223 0.109 0.000 2.265 93 L HA -0.140 4.200 4.340 -0.000 0.000 0.215 93 L C 1.342 178.282 176.870 0.116 0.000 1.117 93 L CA 0.777 55.686 54.840 0.114 0.000 0.782 93 L CB -0.155 41.932 42.059 0.046 0.000 0.914 93 L HN 0.313 nan 8.230 nan 0.000 0.441 104 P HA 0.356 nan 4.420 nan 0.000 0.278 104 P C 0.111 177.403 177.300 -0.014 0.000 1.258 104 P CA -0.445 62.642 63.100 -0.022 0.000 0.811 104 P CB 1.986 33.669 31.700 -0.028 0.000 1.063 105 E N -0.404 119.782 120.200 -0.023 0.000 2.447 105 E HA 0.213 4.563 4.350 -0.000 0.000 0.204 105 E C -0.484 176.120 176.600 0.005 0.000 0.977 105 E CA -0.132 56.266 56.400 -0.003 0.000 0.950 105 E CB 0.473 30.171 29.700 -0.003 0.000 0.975 105 E HN 0.158 nan 8.360 nan 0.000 0.496 106 V N 1.326 121.223 119.914 -0.029 0.000 2.888 106 V HA 0.387 4.507 4.120 -0.000 0.000 0.309 106 V C -0.910 175.145 176.094 -0.065 0.000 1.114 106 V CA -0.903 61.380 62.300 -0.028 0.000 0.940 106 V CB 2.250 34.044 31.823 -0.049 0.000 1.021 106 V HN 0.066 nan 8.190 nan 0.000 0.426 107 V N 2.407 122.274 119.914 -0.079 0.000 2.760 107 V HA 0.921 5.041 4.120 -0.000 0.000 0.309 107 V C -0.153 175.835 176.094 -0.177 0.000 1.077 107 V CA -0.552 61.675 62.300 -0.122 0.000 0.910 107 V CB 1.993 33.741 31.823 -0.126 0.000 1.008 107 V HN 1.075 nan 8.190 nan 0.000 0.424 108 A N 3.335 126.037 122.820 -0.197 0.000 2.355 108 A HA 0.852 5.172 4.320 -0.000 0.000 0.317 108 A C -0.810 176.601 177.584 -0.288 0.000 1.094 108 A CA -0.610 51.287 52.037 -0.233 0.000 0.764 108 A CB 1.704 20.579 19.000 -0.207 0.000 1.230 108 A HN 0.741 nan 8.150 nan 0.000 0.448 109 V N 2.940 122.672 119.914 -0.303 0.000 2.408 109 V HA 0.363 4.483 4.120 -0.000 0.000 0.267 109 V C -0.037 175.914 176.094 -0.239 0.000 1.047 109 V CA -0.175 61.968 62.300 -0.262 0.000 0.937 109 V CB 0.755 32.463 31.823 -0.192 0.000 0.999 109 V HN 0.593 nan 8.190 nan 0.000 0.472 110 V N 4.055 123.742 119.914 -0.379 0.000 2.628 110 V HA 0.356 4.476 4.120 -0.000 0.000 0.306 110 V C 0.130 176.151 176.094 -0.121 0.000 1.045 110 V CA -0.862 61.235 62.300 -0.339 0.000 0.905 110 V CB 2.037 33.511 31.823 -0.582 0.000 0.997 110 V HN 0.933 nan 8.190 nan 0.000 0.436 111 E N 3.737 123.991 120.200 0.090 0.000 2.265 111 E HA 0.170 4.520 4.350 -0.000 0.000 0.272 111 E C -0.150 176.640 176.600 0.316 0.000 1.067 111 E CA -0.242 56.251 56.400 0.155 0.000 0.900 111 E CB 0.631 30.383 29.700 0.087 0.000 1.017 111 E HN 0.619 nan 8.360 nan 0.000 0.431 112 M N 7.500 127.263 119.600 0.272 0.000 2.227 112 M HA 0.199 4.679 4.480 -0.000 0.000 0.349 112 M C -2.066 174.213 176.300 -0.034 0.000 1.443 112 M CA -1.562 53.794 55.300 0.092 0.000 1.110 112 M CB 0.625 33.079 32.600 -0.244 0.000 1.773 112 M HN 0.393 nan 8.290 nan 0.000 0.463 113 P HA 0.266 nan 4.420 nan 0.000 0.274 113 P C -1.206 176.060 177.300 -0.057 0.000 1.256 113 P CA -0.486 62.526 63.100 -0.147 0.000 0.795 113 P CB 0.409 31.921 31.700 -0.314 0.000 1.038 114 A N 0.662 123.450 122.820 -0.054 0.000 2.386 114 A HA 0.149 4.469 4.320 -0.000 0.000 0.248 114 A C 0.269 177.847 177.584 -0.010 0.000 1.082 114 A CA -0.340 51.684 52.037 -0.022 0.000 0.789 114 A CB -0.396 18.590 19.000 -0.023 0.000 1.025 114 A HN 0.478 nan 8.150 nan 0.000 0.490 115 D N 1.693 122.096 120.400 0.005 0.000 2.608 115 D HA 0.106 4.746 4.640 -0.000 0.000 0.224 115 D C -0.816 175.462 176.300 -0.036 0.000 1.123 115 D CA 0.480 54.477 54.000 -0.004 0.000 1.030 115 D CB 0.248 41.053 40.800 0.008 0.000 1.093 115 D HN 0.411 nan 8.370 nan 0.000 0.497 116 D N 1.205 121.577 120.400 -0.047 0.000 2.274 116 D HA 0.130 4.770 4.640 -0.000 0.000 0.239 116 D C 1.353 177.580 176.300 -0.121 0.000 1.104 116 D CA -0.562 53.401 54.000 -0.060 0.000 0.840 116 D CB 1.585 42.365 40.800 -0.033 0.000 1.100 116 D HN 0.126 nan 8.370 nan 0.000 0.477 117 L N 2.539 123.635 121.223 -0.211 0.000 2.362 117 L HA -0.093 4.247 4.340 -0.000 0.000 0.219 117 L C 1.268 177.947 176.870 -0.319 0.000 1.134 117 L CA 0.717 55.261 54.840 -0.492 0.000 0.807 117 L CB 0.091 41.603 42.059 -0.912 0.000 0.927 117 L HN 0.368 nan 8.230 nan 0.000 0.447 118 D N -0.318 120.059 120.400 -0.037 0.000 2.363 118 D HA -0.064 4.576 4.640 -0.000 0.000 0.226 118 D C 2.031 178.381 176.300 0.084 0.000 1.020 118 D CA 0.380 54.455 54.000 0.125 0.000 0.892 118 D CB 0.127 41.004 40.800 0.129 0.000 0.900 118 D HN 0.269 nan 8.370 nan 0.000 0.531 119 R N 0.079 120.593 120.500 0.023 0.000 2.148 119 R HA 0.075 4.415 4.340 -0.000 0.000 0.227 119 R C 0.813 177.165 176.300 0.086 0.000 1.103 119 R CA 0.398 56.522 56.100 0.040 0.000 0.983 119 R CB 0.212 30.517 30.300 0.008 0.000 0.874 119 R HN 0.139 nan 8.270 nan 0.000 0.451 120 I N 3.684 124.308 120.570 0.090 0.000 2.379 120 I HA 0.094 4.264 4.170 -0.000 0.000 0.290 120 I C -2.010 174.263 176.117 0.260 0.000 1.063 120 I CA -1.996 59.420 61.300 0.192 0.000 1.351 120 I CB 0.984 39.095 38.000 0.186 0.000 1.410 120 I HN -0.128 nan 8.210 nan 0.000 0.505 121 P HA 0.205 nan 4.420 nan 0.000 0.285 121 P C -0.798 176.585 177.300 0.138 0.000 1.259 121 P CA -0.234 62.954 63.100 0.147 0.000 0.794 121 P CB 1.585 33.338 31.700 0.088 0.000 0.940 122 V N 5.293 125.230 119.914 0.038 0.000 2.378 122 V HA 0.454 4.574 4.120 -0.000 0.000 0.288 122 V C 0.628 176.679 176.094 -0.071 0.000 1.016 122 V CA -0.380 61.865 62.300 -0.092 0.000 0.840 122 V CB 1.198 32.793 31.823 -0.380 0.000 0.994 122 V HN 0.561 nan 8.190 nan 0.000 0.431 123 R N 2.029 122.518 120.500 -0.018 0.000 2.987 123 R HA 0.404 4.744 4.340 -0.000 0.000 0.248 123 R C 0.806 177.135 176.300 0.050 0.000 1.264 123 R CA -0.751 55.343 56.100 -0.011 0.000 1.026 123 R CB 1.238 31.516 30.300 -0.037 0.000 1.286 123 R HN 0.757 nan 8.270 nan 0.000 0.483 124 E N 0.386 120.612 120.200 0.044 0.000 2.265 124 E HA -0.179 4.170 4.350 -0.000 0.000 0.196 124 E C 0.390 177.060 176.600 0.117 0.000 0.996 124 E CA 1.519 57.958 56.400 0.064 0.000 0.832 124 E CB -0.158 29.566 29.700 0.039 0.000 0.756 124 E HN 0.555 nan 8.360 nan 0.000 0.491 125 D N 0.304 120.792 120.400 0.148 0.000 2.491 125 D HA -0.022 4.618 4.640 -0.000 0.000 0.228 125 D C -0.420 176.090 176.300 0.350 0.000 1.183 125 D CA -0.838 53.285 54.000 0.206 0.000 0.827 125 D CB -0.803 40.108 40.800 0.186 0.000 0.989 125 D HN 0.106 nan 8.370 nan 0.000 0.494 126 F N 1.564 121.624 119.950 0.183 0.000 2.623 126 F HA 0.214 4.741 4.527 -0.000 0.000 0.383 126 F C -0.382 175.595 175.800 0.296 0.000 1.077 126 F CA -0.203 57.970 58.000 0.287 0.000 1.268 126 F CB 0.480 39.577 39.000 0.161 0.000 1.053 126 F HN 0.049 nan 8.300 nan 0.000 0.571 127 L N 6.437 127.381 121.223 -0.466 0.000 2.541 127 L HA 0.575 4.915 4.340 -0.000 0.000 0.266 127 L C -0.491 175.880 176.870 -0.831 0.000 0.966 127 L CA -0.217 54.247 54.840 -0.628 0.000 0.871 127 L CB 1.144 42.974 42.059 -0.382 0.000 1.232 127 L HN 0.824 nan 8.230 nan 0.000 0.408 128 G N 3.018 111.293 108.800 -0.875 0.000 2.730 128 G HA2 0.735 4.695 3.960 -0.000 0.000 0.289 128 G HA3 0.735 4.695 3.960 -0.000 0.000 0.289 128 G C -1.738 173.061 174.900 -0.169 0.000 1.341 128 G CA -0.487 44.365 45.100 -0.413 0.000 0.932 128 G HN 0.264 nan 8.290 nan 0.000 0.481 129 V N 0.222 120.094 119.914 -0.070 0.000 2.686 129 V HA 0.560 4.680 4.120 -0.000 0.000 0.306 129 V C -0.721 175.342 176.094 -0.052 0.000 1.065 129 V CA -0.649 61.600 62.300 -0.086 0.000 0.894 129 V CB 1.697 33.440 31.823 -0.133 0.000 1.004 129 V HN 0.753 nan 8.190 nan 0.000 0.424 130 L N 4.506 125.677 121.223 -0.087 0.000 2.329 130 L HA 0.688 5.028 4.340 -0.000 0.000 0.279 130 L C -1.538 175.302 176.870 -0.049 0.000 1.014 130 L CA -0.420 54.355 54.840 -0.108 0.000 0.814 130 L CB 1.559 43.454 42.059 -0.274 0.000 1.257 130 L HN 0.606 nan 8.230 nan 0.000 0.424 131 F N 4.028 123.877 119.950 -0.168 0.000 2.347 131 F HA 0.302 4.829 4.527 -0.000 0.000 0.366 131 F C -0.350 175.379 175.800 -0.118 0.000 1.107 131 F CA -1.558 56.361 58.000 -0.135 0.000 1.058 131 F CB 0.937 39.872 39.000 -0.108 0.000 1.236 131 F HN 0.508 nan 8.300 nan 0.000 0.456 132 D N 5.305 125.776 120.400 0.119 0.000 2.374 132 D HA 0.234 4.874 4.640 -0.000 0.000 0.240 132 D C 0.419 176.687 176.300 -0.052 0.000 1.229 132 D CA 0.345 54.355 54.000 0.017 0.000 0.895 132 D CB 0.187 41.011 40.800 0.041 0.000 1.046 132 D HN 0.672 nan 8.370 nan 0.000 0.498 133 R N 1.656 122.101 120.500 -0.093 0.000 3.422 133 R HA -0.115 4.225 4.340 -0.000 0.000 0.267 133 R C -2.183 173.953 176.300 -0.274 0.000 1.074 133 R CA 0.488 56.515 56.100 -0.121 0.000 0.718 133 R CB -1.497 28.803 30.300 0.001 0.000 1.157 133 R HN 0.505 nan 8.270 nan 0.000 0.440 134 P HA -0.030 nan 4.420 nan 0.000 0.268 134 P C 0.777 177.848 177.300 -0.381 0.000 1.204 134 P CA 0.443 63.115 63.100 -0.712 0.000 0.768 134 P CB 1.218 32.074 31.700 -1.408 0.000 0.842 135 T N -1.639 112.769 114.554 -0.243 0.000 3.044 135 T HA 0.046 4.396 4.350 -0.000 0.000 0.250 135 T C 0.828 175.455 174.700 -0.121 0.000 1.081 135 T CA 0.127 62.133 62.100 -0.156 0.000 1.040 135 T CB -0.180 68.635 68.868 -0.088 0.000 0.962 135 T HN 0.363 nan 8.240 nan 0.000 0.506 136 S N 2.873 118.505 115.700 -0.113 0.000 2.420 136 S HA 0.418 4.888 4.470 -0.000 0.000 0.313 136 S C -1.605 172.965 174.600 -0.050 0.000 1.079 136 S CA -1.752 56.417 58.200 -0.051 0.000 1.104 136 S CB 1.362 64.565 63.200 0.005 0.000 0.969 136 S HN 0.043 nan 8.310 nan 0.000 0.471 137 P HA -0.006 nan 4.420 nan 0.000 0.216 137 P C 1.717 179.003 177.300 -0.023 0.000 1.153 137 P CA 1.359 64.426 63.100 -0.054 0.000 0.848 137 P CB -0.369 31.298 31.700 -0.055 0.000 0.787 138 G N 0.401 109.193 108.800 -0.013 0.000 2.505 138 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.220 138 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.220 138 G C 1.624 176.532 174.900 0.015 0.000 1.145 138 G CA 1.071 46.167 45.100 -0.006 0.000 0.761 138 G HN 0.229 nan 8.290 nan 0.000 0.571 139 N N 0.499 119.236 118.700 0.061 0.000 2.188 139 N HA -0.018 4.722 4.740 -0.000 0.000 0.184 139 N C 2.257 177.877 175.510 0.184 0.000 1.018 139 N CA 0.716 53.844 53.050 0.130 0.000 0.858 139 N CB -0.272 38.375 38.487 0.266 0.000 0.989 139 N HN 0.414 nan 8.380 nan 0.000 0.426 140 I N 0.470 121.174 120.570 0.223 0.000 2.127 140 I HA -0.215 3.955 4.170 -0.000 0.000 0.241 140 I C 2.432 178.556 176.117 0.011 0.000 1.075 140 I CA 1.487 62.895 61.300 0.180 0.000 1.334 140 I CB -0.760 37.268 38.000 0.046 0.000 1.040 140 I HN 0.148 nan 8.210 nan 0.000 0.405 141 G N -0.317 108.463 108.800 -0.034 0.000 2.446 141 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 141 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 141 G C 1.788 176.640 174.900 -0.080 0.000 1.168 141 G CA 1.126 46.178 45.100 -0.080 0.000 0.771 141 G HN 0.343 nan 8.290 nan 0.000 0.551 142 S N 0.152 115.815 115.700 -0.061 0.000 2.370 142 S HA -0.096 4.373 4.470 -0.000 0.000 0.226 142 S C 2.338 176.874 174.600 -0.107 0.000 1.033 142 S CA 0.933 59.087 58.200 -0.076 0.000 1.011 142 S CB -0.170 62.992 63.200 -0.064 0.000 0.852 142 S HN 0.262 nan 8.310 nan 0.000 0.457 143 I N 1.456 121.946 120.570 -0.133 0.000 2.226 143 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 143 I C 2.090 178.122 176.117 -0.142 0.000 1.100 143 I CA 1.264 62.452 61.300 -0.186 0.000 1.374 143 I CB -1.337 36.493 38.000 -0.282 0.000 1.057 143 I HN 0.303 nan 8.210 nan 0.000 0.413 144 I N 0.395 120.894 120.570 -0.119 0.000 2.226 144 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 144 I C 2.854 178.905 176.117 -0.110 0.000 1.100 144 I CA 1.183 62.413 61.300 -0.116 0.000 1.374 144 I CB -0.409 37.511 38.000 -0.134 0.000 1.057 144 I HN 0.182 nan 8.210 nan 0.000 0.413 145 R N 0.623 121.058 120.500 -0.107 0.000 2.083 145 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 145 R C 2.418 178.668 176.300 -0.083 0.000 1.137 145 R CA 2.079 58.124 56.100 -0.091 0.000 0.951 145 R CB -0.159 30.092 30.300 -0.081 0.000 0.851 145 R HN 0.184 nan 8.270 nan 0.000 0.434 146 S N -0.059 115.586 115.700 -0.093 0.000 2.368 146 S HA -0.067 4.403 4.470 -0.000 0.000 0.224 146 S C 1.872 176.414 174.600 -0.097 0.000 1.029 146 S CA 1.061 59.206 58.200 -0.092 0.000 0.988 146 S CB -0.091 63.045 63.200 -0.107 0.000 0.838 146 S HN 0.579 nan 8.310 nan 0.000 0.462 147 A N 1.302 124.055 122.820 -0.112 0.000 1.930 147 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 147 A C 1.863 179.388 177.584 -0.099 0.000 1.175 147 A CA 1.802 53.767 52.037 -0.120 0.000 0.627 147 A CB -0.708 18.217 19.000 -0.126 0.000 0.815 147 A HN 0.467 nan 8.150 nan 0.000 0.443 148 D N 0.083 120.437 120.400 -0.077 0.000 2.097 148 D HA -0.058 4.582 4.640 -0.000 0.000 0.195 148 D C 2.035 178.310 176.300 -0.041 0.000 0.989 148 D CA 1.775 55.745 54.000 -0.051 0.000 0.827 148 D CB -0.242 40.526 40.800 -0.053 0.000 0.966 148 D HN 0.311 nan 8.370 nan 0.000 0.456 149 A N -0.324 122.469 122.820 -0.046 0.000 2.015 149 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 149 A C 2.081 179.646 177.584 -0.031 0.000 1.163 149 A CA 0.717 52.736 52.037 -0.031 0.000 0.646 149 A CB -0.383 18.596 19.000 -0.034 0.000 0.806 149 A HN 0.365 nan 8.150 nan 0.000 0.448 150 L N -1.083 120.109 121.223 -0.052 0.000 2.741 150 L HA 0.295 4.635 4.340 -0.000 0.000 0.237 150 L C 1.400 178.219 176.870 -0.085 0.000 1.178 150 L CA 0.377 55.185 54.840 -0.052 0.000 0.973 150 L CB 0.093 42.118 42.059 -0.056 0.000 1.255 150 L HN 0.520 nan 8.230 nan 0.000 0.498 151 G N 0.325 109.075 108.800 -0.084 0.000 2.153 151 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.252 151 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.252 151 G C 0.493 175.222 174.900 -0.286 0.000 0.994 151 G CA 0.203 45.234 45.100 -0.115 0.000 0.698 151 G HN 0.523 nan 8.290 nan 0.000 0.521 152 A N -0.651 121.991 122.820 -0.296 0.000 2.386 152 A HA 0.623 4.943 4.320 -0.000 0.000 0.246 152 A C 1.098 178.465 177.584 -0.362 0.000 1.089 152 A CA 0.609 52.382 52.037 -0.440 0.000 0.790 152 A CB 0.233 19.065 19.000 -0.281 0.000 1.042 152 A HN 0.482 nan 8.150 nan 0.000 0.497 153 H N -0.064 118.987 119.070 -0.031 0.000 2.740 153 H HA 0.342 4.898 4.556 -0.000 0.000 0.265 153 H C 0.837 176.235 175.328 0.116 0.000 0.978 153 H CA 0.854 56.950 56.048 0.080 0.000 1.198 153 H CB 0.603 30.477 29.762 0.186 0.000 1.467 153 H HN 0.902 nan 8.280 nan 0.000 0.511 154 G N 0.514 109.405 108.800 0.151 0.000 2.411 154 G HA2 0.362 4.322 3.960 -0.000 0.000 0.295 154 G HA3 0.362 4.322 3.960 -0.000 0.000 0.295 154 G C -2.268 172.662 174.900 0.051 0.000 1.542 154 G CA -0.761 44.415 45.100 0.127 0.000 0.814 154 G HN 0.091 nan 8.290 nan 0.000 0.557 155 L N 0.357 121.588 121.223 0.015 0.000 2.362 155 L HA 0.870 5.210 4.340 -0.000 0.000 0.271 155 L C -0.799 176.054 176.870 -0.028 0.000 1.002 155 L CA -0.977 53.853 54.840 -0.017 0.000 0.818 155 L CB 1.762 43.797 42.059 -0.040 0.000 1.298 155 L HN 0.510 nan 8.230 nan 0.000 0.420 156 I N 4.946 125.499 120.570 -0.028 0.000 2.389 156 I HA 0.364 4.534 4.170 -0.000 0.000 0.288 156 I C -0.801 175.307 176.117 -0.015 0.000 0.999 156 I CA -0.943 60.328 61.300 -0.048 0.000 1.129 156 I CB 1.931 39.895 38.000 -0.060 0.000 1.288 156 I HN 0.229 nan 8.210 nan 0.000 0.444 157 V N 6.299 126.196 119.914 -0.028 0.000 2.334 157 V HA 0.449 4.569 4.120 -0.000 0.000 0.267 157 V C 0.590 176.671 176.094 -0.023 0.000 1.040 157 V CA -0.352 61.931 62.300 -0.030 0.000 0.866 157 V CB 0.978 32.753 31.823 -0.080 0.000 1.019 157 V HN 0.818 nan 8.190 nan 0.000 0.468 158 A N 4.494 127.318 122.820 0.006 0.000 2.306 158 A HA 0.895 5.215 4.320 -0.000 0.000 0.314 158 A C 0.765 178.400 177.584 0.085 0.000 1.164 158 A CA 0.373 52.462 52.037 0.088 0.000 0.822 158 A CB 0.673 19.793 19.000 0.200 0.000 1.130 158 A HN 1.834 nan 8.150 nan 0.000 0.496 159 G N 0.307 109.170 108.800 0.106 0.000 2.698 159 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.233 159 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.233 159 G C -0.075 174.872 174.900 0.078 0.000 1.352 159 G CA 0.219 45.381 45.100 0.104 0.000 0.879 159 G HN 1.932 nan 8.290 nan 0.000 0.567 160 H N 0.920 119.988 119.070 -0.003 0.000 3.191 160 H HA 0.529 5.085 4.556 0.000 0.000 0.261 160 H C 0.649 175.946 175.328 -0.051 0.000 1.013 160 H CA 1.629 57.664 56.048 -0.022 0.000 1.457 160 H CB -0.338 29.413 29.762 -0.018 0.000 1.535 160 H HN 1.207 nan 8.280 nan 0.000 0.518 161 A N 3.906 126.523 122.820 -0.339 0.000 2.527 161 A HA 0.801 5.121 4.320 -0.000 0.000 0.293 161 A C -0.493 176.891 177.584 -0.333 0.000 1.117 161 A CA -0.402 51.446 52.037 -0.314 0.000 0.723 161 A CB 0.905 19.768 19.000 -0.229 0.000 1.313 161 A HN 0.893 nan 8.150 nan 0.000 0.411 162 A N 0.077 122.732 122.820 -0.275 0.000 2.386 162 A HA 0.481 4.801 4.320 -0.000 0.000 0.246 162 A C -0.121 177.359 177.584 -0.173 0.000 1.089 162 A CA 0.032 51.948 52.037 -0.202 0.000 0.790 162 A CB -0.027 18.871 19.000 -0.170 0.000 1.042 162 A HN 0.766 nan 8.150 nan 0.000 0.497 163 D N 0.786 121.110 120.400 -0.126 0.000 2.312 163 D HA 0.270 4.910 4.640 -0.000 0.000 0.252 163 D C 1.266 177.463 176.300 -0.172 0.000 1.150 163 D CA -0.199 53.735 54.000 -0.111 0.000 0.870 163 D CB 1.238 42.020 40.800 -0.031 0.000 1.153 163 D HN 0.087 nan 8.370 nan 0.000 0.457 164 V N 4.312 124.049 119.914 -0.295 0.000 2.380 164 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 164 V C 1.202 176.978 176.094 -0.530 0.000 1.063 164 V CA 1.660 63.674 62.300 -0.476 0.000 1.055 164 V CB -0.747 30.633 31.823 -0.738 0.000 0.657 164 V HN 0.632 nan 8.190 nan 0.000 0.455 165 Y N -0.859 119.316 120.300 -0.208 0.000 2.466 165 Y HA 0.231 4.781 4.550 -0.000 0.000 0.272 165 Y C 1.140 176.985 175.900 -0.093 0.000 1.169 165 Y CA -0.884 57.046 58.100 -0.283 0.000 1.285 165 Y CB -0.398 37.806 38.460 -0.427 0.000 1.078 165 Y HN 0.229 nan 8.280 nan 0.000 0.523 166 D N 2.567 122.982 120.400 0.025 0.000 2.488 166 D HA -0.050 4.590 4.640 -0.000 0.000 0.238 166 D C -1.490 174.834 176.300 0.040 0.000 1.138 166 D CA -1.035 52.983 54.000 0.030 0.000 0.873 166 D CB 1.561 42.351 40.800 -0.016 0.000 1.183 166 D HN 0.073 nan 8.370 nan 0.000 0.458 167 P HA -0.163 nan 4.420 nan 0.000 0.219 167 P C 0.868 178.180 177.300 0.021 0.000 1.146 167 P CA 1.262 64.398 63.100 0.059 0.000 0.808 167 P CB 0.282 32.014 31.700 0.053 0.000 0.779 168 K N -0.241 120.161 120.400 0.003 0.000 2.097 168 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 168 K C 2.495 179.078 176.600 -0.027 0.000 1.050 168 K CA 1.293 57.573 56.287 -0.011 0.000 0.938 168 K CB -0.546 31.946 32.500 -0.013 0.000 0.718 168 K HN 0.089 nan 8.250 nan 0.000 0.442 169 S N 0.857 116.533 115.700 -0.040 0.000 2.355 169 S HA -0.099 4.371 4.470 -0.000 0.000 0.222 169 S C 2.105 176.652 174.600 -0.088 0.000 1.031 169 S CA 0.962 59.118 58.200 -0.073 0.000 0.993 169 S CB -0.179 62.955 63.200 -0.110 0.000 0.859 169 S HN 0.058 nan 8.310 nan 0.000 0.453 170 V N 2.862 122.741 119.914 -0.058 0.000 2.233 170 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 170 V C 2.680 178.740 176.094 -0.057 0.000 1.050 170 V CA 2.426 64.696 62.300 -0.050 0.000 1.010 170 V CB -0.973 30.906 31.823 0.092 0.000 0.637 170 V HN 0.556 nan 8.190 nan 0.000 0.444 171 R N 1.065 121.551 120.500 -0.022 0.000 2.112 171 R HA -0.250 4.090 4.340 -0.000 0.000 0.242 171 R C 2.428 178.700 176.300 -0.046 0.000 1.137 171 R CA 2.603 58.686 56.100 -0.028 0.000 0.944 171 R CB -0.565 29.726 30.300 -0.016 0.000 0.857 171 R HN 0.665 nan 8.270 nan 0.000 0.435 172 S N -0.477 115.192 115.700 -0.050 0.000 2.489 172 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 172 S C 1.957 176.513 174.600 -0.073 0.000 0.995 172 S CA 0.812 58.980 58.200 -0.053 0.000 0.934 172 S CB -0.022 63.152 63.200 -0.043 0.000 0.771 172 S HN 0.537 nan 8.310 nan 0.000 0.522 173 S N 1.273 116.912 115.700 -0.101 0.000 2.423 173 S HA -0.061 4.409 4.470 -0.000 0.000 0.231 173 S C 1.008 175.535 174.600 -0.121 0.000 1.014 173 S CA 1.312 59.431 58.200 -0.134 0.000 0.965 173 S CB -1.339 61.737 63.200 -0.207 0.000 0.785 173 S HN 0.590 nan 8.310 nan 0.000 0.495 174 T N 0.757 115.253 114.554 -0.097 0.000 4.252 174 T HA -0.110 4.240 4.350 -0.000 0.000 0.331 174 T C 1.044 175.710 174.700 -0.057 0.000 0.771 174 T CA 1.095 63.157 62.100 -0.064 0.000 1.939 174 T CB -2.169 66.671 68.868 -0.047 0.000 1.907 174 T HN 1.807 nan 8.240 nan 0.000 0.892 175 G N -0.660 108.078 108.800 -0.103 0.000 2.195 175 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.246 175 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.246 175 G C 1.041 175.852 174.900 -0.147 0.000 0.984 175 G CA 0.670 45.737 45.100 -0.055 0.000 0.633 175 G HN 0.799 nan 8.290 nan 0.000 0.525 176 S N -0.037 115.556 115.700 -0.179 0.000 2.442 176 S HA -0.037 4.433 4.470 -0.000 0.000 0.236 176 S C 2.233 176.667 174.600 -0.278 0.000 1.007 176 S CA 1.428 59.523 58.200 -0.175 0.000 0.965 176 S CB -0.133 62.987 63.200 -0.133 0.000 0.773 176 S HN 0.810 nan 8.310 nan 0.000 0.504 177 L N 1.163 122.094 121.223 -0.487 0.000 2.081 177 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 177 L C 1.514 178.064 176.870 -0.534 0.000 1.080 177 L CA 1.929 56.416 54.840 -0.587 0.000 0.754 177 L CB -0.798 40.720 42.059 -0.902 0.000 0.893 177 L HN 0.223 nan 8.230 nan 0.000 0.433 178 F N -0.748 118.987 119.950 -0.359 0.000 2.367 178 F HA 0.030 4.557 4.527 0.000 0.000 0.298 178 F C 2.646 178.289 175.800 -0.261 0.000 1.094 178 F CA 0.842 58.538 58.000 -0.507 0.000 1.409 178 F CB -1.239 37.342 39.000 -0.699 0.000 1.064 178 F HN 0.325 nan 8.300 nan 0.000 0.528 179 S N -0.979 114.567 115.700 -0.257 0.000 2.503 179 S HA 0.177 4.647 4.470 -0.000 0.000 0.215 179 S C 0.480 175.050 174.600 -0.049 0.000 1.003 179 S CA -0.086 57.884 58.200 -0.384 0.000 0.910 179 S CB 0.091 63.055 63.200 -0.394 0.000 0.790 179 S HN 0.125 nan 8.310 nan 0.000 0.514 180 L N 3.533 124.747 121.223 -0.015 0.000 2.345 180 L HA 0.551 4.891 4.340 -0.000 0.000 0.274 180 L C -3.044 173.869 176.870 0.072 0.000 0.999 180 L CA -2.061 52.797 54.840 0.030 0.000 0.849 180 L CB 1.610 43.655 42.059 -0.024 0.000 1.220 180 L HN -0.030 nan 8.230 nan 0.000 0.422 181 P HA 0.130 nan 4.420 nan 0.000 0.264 181 P C -0.730 176.609 177.300 0.064 0.000 1.229 181 P CA -0.092 63.092 63.100 0.140 0.000 0.780 181 P CB 0.609 32.388 31.700 0.130 0.000 0.808 182 A N 4.410 127.254 122.820 0.041 0.000 2.260 182 A HA 0.500 4.820 4.320 -0.000 0.000 0.308 182 A C -0.211 177.346 177.584 -0.044 0.000 1.254 182 A CA -0.526 51.488 52.037 -0.038 0.000 0.874 182 A CB 0.511 19.442 19.000 -0.116 0.000 1.153 182 A HN 0.356 nan 8.150 nan 0.000 0.527 183 V N 3.985 123.862 119.914 -0.062 0.000 2.459 183 V HA 0.407 4.527 4.120 -0.000 0.000 0.295 183 V C 0.215 176.263 176.094 -0.076 0.000 1.029 183 V CA -0.647 61.611 62.300 -0.070 0.000 0.874 183 V CB 1.525 33.275 31.823 -0.121 0.000 0.985 183 V HN 0.945 nan 8.190 nan 0.000 0.438 184 R N 3.059 123.528 120.500 -0.052 0.000 2.312 184 R HA 0.663 5.003 4.340 -0.000 0.000 0.311 184 R C -0.745 175.542 176.300 -0.022 0.000 1.004 184 R CA -0.501 55.574 56.100 -0.042 0.000 0.902 184 R CB 1.717 32.002 30.300 -0.025 0.000 1.073 184 R HN 0.653 nan 8.270 nan 0.000 0.457 185 V N 1.472 121.382 119.914 -0.007 0.000 2.516 185 V HA 0.277 4.397 4.120 -0.000 0.000 0.271 185 V C -2.320 173.805 176.094 0.051 0.000 0.992 185 V CA -1.966 60.344 62.300 0.018 0.000 0.857 185 V CB 1.514 33.348 31.823 0.018 0.000 1.047 185 V HN 0.529 nan 8.190 nan 0.000 0.455 186 P HA -0.171 nan 4.420 nan 0.000 0.220 186 P C 0.826 178.169 177.300 0.071 0.000 1.155 186 P CA 2.185 65.320 63.100 0.059 0.000 0.880 186 P CB 0.071 31.799 31.700 0.047 0.000 0.790 187 S N -2.181 113.559 115.700 0.066 0.000 2.489 187 S HA 0.395 4.865 4.470 -0.000 0.000 0.291 187 S C -1.811 172.847 174.600 0.096 0.000 1.151 187 S CA -1.522 56.712 58.200 0.057 0.000 1.082 187 S CB 1.668 64.887 63.200 0.032 0.000 1.019 187 S HN 0.006 nan 8.310 nan 0.000 0.492 188 P HA 0.116 nan 4.420 nan 0.000 0.231 188 P C 1.448 178.745 177.300 -0.006 0.000 1.168 188 P CA 0.750 63.890 63.100 0.066 0.000 0.779 188 P CB -0.356 31.124 31.700 -0.367 0.000 0.844 189 G N 0.788 109.573 108.800 -0.025 0.000 2.408 189 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 189 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 189 G C 1.609 176.548 174.900 0.066 0.000 1.150 189 G CA 0.370 45.468 45.100 -0.004 0.000 0.776 189 G HN 0.327 nan 8.290 nan 0.000 0.542 190 E N 0.089 120.340 120.200 0.085 0.000 2.150 190 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 190 E C 2.533 179.237 176.600 0.174 0.000 0.985 190 E CA 0.680 57.144 56.400 0.107 0.000 0.814 190 E CB 0.013 29.759 29.700 0.076 0.000 0.752 190 E HN 0.270 nan 8.360 nan 0.000 0.466 191 V N 1.121 121.171 119.914 0.226 0.000 2.358 191 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 191 V C 2.424 178.752 176.094 0.390 0.000 1.047 191 V CA 1.313 63.815 62.300 0.337 0.000 1.035 191 V CB -0.348 31.743 31.823 0.446 0.000 0.658 191 V HN 0.405 nan 8.190 nan 0.000 0.452 192 M N -0.389 119.385 119.600 0.291 0.000 2.229 192 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 192 M C 1.891 178.290 176.300 0.164 0.000 1.063 192 M CA 1.417 56.846 55.300 0.216 0.000 1.114 192 M CB -1.291 31.382 32.600 0.122 0.000 1.387 192 M HN 0.358 nan 8.290 nan 0.000 0.420 193 D N -1.121 119.376 120.400 0.162 0.000 2.117 193 D HA -0.192 4.448 4.640 -0.000 0.000 0.198 193 D C 1.710 178.109 176.300 0.165 0.000 0.982 193 D CA 0.952 55.030 54.000 0.130 0.000 0.828 193 D CB -0.398 40.472 40.800 0.117 0.000 0.967 193 D HN 0.531 nan 8.370 nan 0.000 0.464 194 W N 1.576 122.897 121.300 0.035 0.000 2.379 194 W HA -0.182 4.478 4.660 0.000 0.000 0.307 194 W C 2.073 178.594 176.519 0.003 0.000 1.200 194 W CA 1.139 58.495 57.345 0.018 0.000 1.297 194 W CB -0.487 28.989 29.460 0.026 0.000 1.140 194 W HN -0.243 nan 8.180 nan 0.000 0.507 195 V N 1.370 121.302 119.914 0.031 0.000 2.287 195 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 195 V C 2.481 178.460 176.094 -0.191 0.000 1.053 195 V CA 2.395 64.575 62.300 -0.200 0.000 1.027 195 V CB -0.931 30.936 31.823 0.072 0.000 0.646 195 V HN 0.138 nan 8.190 nan 0.000 0.447 196 E N 0.037 120.201 120.200 -0.061 0.000 2.153 196 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 196 E C 2.284 178.827 176.600 -0.095 0.000 0.988 196 E CA 1.461 57.829 56.400 -0.054 0.000 0.811 196 E CB -0.411 29.286 29.700 -0.005 0.000 0.746 196 E HN 0.600 nan 8.360 nan 0.000 0.466 197 A N 1.315 124.063 122.820 -0.119 0.000 1.929 197 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 197 A C 2.064 179.519 177.584 -0.214 0.000 1.176 197 A CA 0.771 52.731 52.037 -0.128 0.000 0.628 197 A CB -0.138 18.815 19.000 -0.079 0.000 0.816 197 A HN 0.002 nan 8.150 nan 0.000 0.444 198 R N 0.148 120.418 120.500 -0.384 0.000 2.096 198 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 198 R C 2.109 178.249 176.300 -0.267 0.000 1.127 198 R CA 1.255 57.096 56.100 -0.430 0.000 0.968 198 R CB -0.672 29.182 30.300 -0.743 0.000 0.861 198 R HN 0.578 nan 8.270 nan 0.000 0.440 199 R N 0.246 120.619 120.500 -0.211 0.000 2.096 199 R HA -0.021 4.319 4.340 -0.000 0.000 0.235 199 R C 2.176 178.421 176.300 -0.092 0.000 1.127 199 R CA 1.362 57.388 56.100 -0.124 0.000 0.968 199 R CB -0.362 29.889 30.300 -0.082 0.000 0.861 199 R HN 0.181 nan 8.270 nan 0.000 0.440 200 A N 1.466 124.231 122.820 -0.091 0.000 1.969 200 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 200 A C 1.258 178.806 177.584 -0.060 0.000 1.169 200 A CA 1.039 53.039 52.037 -0.063 0.000 0.635 200 A CB -0.116 18.852 19.000 -0.053 0.000 0.810 200 A HN 0.311 nan 8.150 nan 0.000 0.445 201 A N 0.600 123.373 122.820 -0.079 0.000 2.376 201 A HA 0.496 4.816 4.320 -0.000 0.000 0.298 201 A C 0.983 178.523 177.584 -0.072 0.000 1.271 201 A CA 0.076 52.071 52.037 -0.069 0.000 0.926 201 A CB -0.735 18.218 19.000 -0.078 0.000 1.141 201 A HN 1.038 nan 8.150 nan 0.000 0.539 202 G N 3.029 111.799 108.800 -0.050 0.000 2.424 202 G HA2 0.242 4.202 3.960 -0.000 0.000 0.291 202 G HA3 0.242 4.202 3.960 -0.000 0.000 0.291 202 G C 0.161 175.033 174.900 -0.046 0.000 0.712 202 G CA 0.776 45.851 45.100 -0.042 0.000 1.874 202 G HN 0.737 nan 8.290 nan 0.000 0.434 203 T N 4.420 118.935 114.554 -0.064 0.000 3.160 203 T HA 0.319 4.669 4.350 -0.000 0.000 0.346 203 T C -2.601 172.066 174.700 -0.055 0.000 1.027 203 T CA -0.803 61.258 62.100 -0.065 0.000 1.287 203 T CB 2.493 71.287 68.868 -0.123 0.000 0.997 203 T HN 0.254 nan 8.240 nan 0.000 0.518 204 P HA 0.290 nan 4.420 nan 0.000 0.237 204 P C -0.053 177.277 177.300 0.050 0.000 1.788 204 P CA -0.331 62.776 63.100 0.010 0.000 1.061 204 P CB -0.409 31.303 31.700 0.020 0.000 1.967 205 I N 2.386 122.976 120.570 0.034 0.000 2.598 205 I HA 0.001 4.171 4.170 -0.000 0.000 0.284 205 I C 1.132 177.335 176.117 0.144 0.000 1.140 205 I CA -0.158 61.207 61.300 0.109 0.000 1.420 205 I CB 0.872 38.890 38.000 0.030 0.000 1.387 205 I HN 0.095 nan 8.210 nan 0.000 0.553 206 V N 7.321 127.360 119.914 0.208 0.000 2.483 206 V HA 0.499 4.619 4.120 -0.000 0.000 0.295 206 V C -0.300 175.934 176.094 0.233 0.000 1.035 206 V CA -0.776 61.668 62.300 0.240 0.000 0.896 206 V CB 1.648 33.678 31.823 0.346 0.000 0.986 206 V HN 0.508 nan 8.190 nan 0.000 0.447 207 L N 5.796 127.140 121.223 0.201 0.000 2.281 207 L HA 0.516 4.856 4.340 -0.000 0.000 0.285 207 L C -0.501 176.440 176.870 0.117 0.000 1.074 207 L CA -0.541 54.397 54.840 0.162 0.000 0.817 207 L CB 1.442 43.608 42.059 0.177 0.000 1.168 207 L HN 0.526 nan 8.230 nan 0.000 0.434 208 V N 3.066 123.003 119.914 0.038 0.000 2.304 208 V HA 0.357 4.477 4.120 -0.000 0.000 0.278 208 V C 0.824 176.879 176.094 -0.065 0.000 1.018 208 V CA -0.589 61.655 62.300 -0.094 0.000 0.814 208 V CB 1.190 32.835 31.823 -0.297 0.000 1.021 208 V HN 0.897 nan 8.190 nan 0.000 0.440 209 G N 3.367 112.148 108.800 -0.032 0.000 2.594 209 G HA2 0.500 4.460 3.960 -0.000 0.000 0.243 209 G HA3 0.500 4.460 3.960 -0.000 0.000 0.243 209 G C 0.159 175.036 174.900 -0.039 0.000 1.229 209 G CA 0.210 45.299 45.100 -0.018 0.000 0.843 209 G HN 0.739 nan 8.290 nan 0.000 0.578 210 T N -1.593 112.947 114.554 -0.025 0.000 2.863 210 T HA 0.647 4.997 4.350 -0.000 0.000 0.285 210 T C -1.199 173.499 174.700 -0.003 0.000 1.009 210 T CA -0.842 61.245 62.100 -0.021 0.000 0.989 210 T CB 2.541 71.392 68.868 -0.029 0.000 1.004 210 T HN 0.522 nan 8.240 nan 0.000 0.455 211 D N 0.132 120.535 120.400 0.005 0.000 2.734 211 D HA 0.255 4.895 4.640 -0.000 0.000 0.224 211 D C 0.581 176.907 176.300 0.043 0.000 1.222 211 D CA -0.490 53.518 54.000 0.013 0.000 0.761 211 D CB 1.726 42.535 40.800 0.015 0.000 1.569 211 D HN 0.563 nan 8.370 nan 0.000 0.477 212 E N 0.052 120.278 120.200 0.045 0.000 2.187 212 E HA -0.188 4.162 4.350 -0.000 0.000 0.199 212 E C 0.356 177.225 176.600 0.448 0.000 1.004 212 E CA 1.396 57.901 56.400 0.175 0.000 0.813 212 E CB -0.038 29.712 29.700 0.084 0.000 0.736 212 E HN 0.368 nan 8.360 nan 0.000 0.468 213 H N -1.376 117.696 119.070 0.004 0.000 2.492 213 H HA 0.359 4.915 4.556 -0.000 0.000 0.264 213 H C 0.477 175.805 175.328 0.000 0.000 1.150 213 H CA -0.068 55.982 56.048 0.004 0.000 0.962 213 H CB 0.046 29.813 29.762 0.008 0.000 1.766 213 H HN 0.098 nan 8.280 nan 0.000 0.589 214 G N -0.247 108.616 108.800 0.104 0.000 2.712 214 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.258 214 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.258 214 G C 0.440 175.357 174.900 0.029 0.000 1.241 214 G CA -0.218 44.912 45.100 0.050 0.000 0.923 214 G HN 0.193 nan 8.290 nan 0.000 0.548 215 D N -1.852 118.562 120.400 0.022 0.000 2.339 215 D HA 0.158 4.798 4.640 -0.000 0.000 0.217 215 D C -0.025 176.284 176.300 0.015 0.000 1.050 215 D CA 0.196 54.210 54.000 0.024 0.000 0.856 215 D CB 0.145 40.966 40.800 0.036 0.000 0.922 215 D HN 0.327 nan 8.370 nan 0.000 0.518 216 C N 0.997 120.289 119.300 -0.012 0.000 2.947 216 C HA 0.194 4.654 4.460 -0.000 0.000 0.401 216 C C -1.213 173.706 174.990 -0.119 0.000 1.019 216 C CA -1.038 57.956 59.018 -0.039 0.000 1.230 216 C CB 0.344 28.091 27.740 0.012 0.000 1.644 216 C HN -0.026 nan 8.230 nan 0.000 0.523 217 D N 3.066 123.332 120.400 -0.223 0.000 2.472 217 D HA 0.007 4.647 4.640 -0.000 0.000 0.237 217 D C 1.156 177.178 176.300 -0.462 0.000 1.141 217 D CA 0.304 54.023 54.000 -0.467 0.000 0.875 217 D CB 1.703 41.967 40.800 -0.894 0.000 1.192 217 D HN 0.505 nan 8.370 nan 0.000 0.450 218 V N 3.279 122.978 119.914 -0.359 0.000 2.490 218 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 218 V C 1.593 177.749 176.094 0.103 0.000 1.061 218 V CA 1.670 63.953 62.300 -0.028 0.000 1.064 218 V CB -0.525 31.343 31.823 0.075 0.000 0.670 218 V HN 0.577 nan 8.190 nan 0.000 0.461 219 F N -0.951 119.094 119.950 0.159 0.000 2.780 219 F HA 0.263 4.790 4.527 -0.000 0.000 0.299 219 F C 1.474 177.332 175.800 0.097 0.000 1.146 219 F CA 0.367 58.443 58.000 0.127 0.000 1.428 219 F CB -0.558 38.482 39.000 0.068 0.000 1.115 219 F HN 0.146 nan 8.300 nan 0.000 0.583 220 D N 0.243 120.652 120.400 0.015 0.000 2.339 220 D HA 0.058 4.698 4.640 -0.000 0.000 0.217 220 D C -0.238 176.064 176.300 0.003 0.000 1.050 220 D CA 0.259 54.287 54.000 0.047 0.000 0.856 220 D CB -0.005 40.781 40.800 -0.022 0.000 0.922 220 D HN 0.300 nan 8.370 nan 0.000 0.518 221 F N 1.184 121.034 119.950 -0.166 0.000 2.432 221 F HA 0.286 4.813 4.527 -0.000 0.000 0.329 221 F C -0.031 175.548 175.800 -0.369 0.000 1.076 221 F CA -1.224 56.550 58.000 -0.375 0.000 1.018 221 F CB 1.444 40.087 39.000 -0.594 0.000 1.201 221 F HN -0.364 nan 8.300 nan 0.000 0.489 222 D N 4.354 123.870 120.400 -1.473 0.000 2.494 222 D HA 0.104 4.744 4.640 -0.000 0.000 0.217 222 D C 0.197 176.002 176.300 -0.825 0.000 1.153 222 D CA 0.051 53.517 54.000 -0.889 0.000 0.954 222 D CB -0.540 39.838 40.800 -0.703 0.000 1.034 222 D HN 0.398 nan 8.370 nan 0.000 0.518 223 F N 0.769 120.592 119.950 -0.212 0.000 2.816 223 F HA -0.014 4.513 4.527 0.000 0.000 0.302 223 F C 2.518 178.289 175.800 -0.049 0.000 1.178 223 F CA 0.592 58.586 58.000 -0.009 0.000 1.421 223 F CB -0.268 38.765 39.000 0.055 0.000 1.114 223 F HN 0.334 nan 8.300 nan 0.000 0.573 224 T N -2.562 112.009 114.554 0.028 0.000 3.085 224 T HA -0.040 4.310 4.350 -0.000 0.000 0.263 224 T C 0.771 175.480 174.700 0.015 0.000 1.127 224 T CA -0.133 61.979 62.100 0.020 0.000 1.103 224 T CB -0.425 68.433 68.868 -0.015 0.000 0.921 224 T HN 0.380 nan 8.240 nan 0.000 0.510 225 Q N 2.026 121.813 119.800 -0.022 0.000 2.312 225 Q HA 0.413 4.753 4.340 -0.000 0.000 0.236 225 Q C -2.683 173.383 176.000 0.110 0.000 0.965 225 Q CA -2.753 53.059 55.803 0.015 0.000 0.894 225 Q CB -0.169 28.543 28.738 -0.043 0.000 1.225 225 Q HN 0.127 nan 8.270 nan 0.000 0.478 226 P HA -0.020 nan 4.420 nan 0.000 0.263 226 P C -0.876 176.608 177.300 0.307 0.000 1.195 226 P CA 0.336 63.597 63.100 0.268 0.000 0.762 226 P CB 0.531 32.381 31.700 0.250 0.000 0.799 227 T N 4.154 118.891 114.554 0.305 0.000 2.921 227 T HA 0.368 4.718 4.350 -0.000 0.000 0.297 227 T C -0.738 174.053 174.700 0.152 0.000 1.013 227 T CA -0.385 61.864 62.100 0.248 0.000 0.990 227 T CB 1.053 70.084 68.868 0.271 0.000 1.023 227 T HN 0.169 nan 8.240 nan 0.000 0.447 228 L N 4.501 125.879 121.223 0.258 0.000 2.276 228 L HA 0.643 4.983 4.340 -0.000 0.000 0.286 228 L C -1.060 175.864 176.870 0.090 0.000 1.024 228 L CA -0.828 54.141 54.840 0.215 0.000 0.826 228 L CB 0.790 43.067 42.059 0.363 0.000 1.211 228 L HN 0.570 nan 8.230 nan 0.000 0.422 229 L N 6.145 127.378 121.223 0.017 0.000 2.260 229 L HA 0.437 4.777 4.340 -0.000 0.000 0.289 229 L C -0.867 175.956 176.870 -0.078 0.000 1.057 229 L CA 0.060 54.892 54.840 -0.013 0.000 0.811 229 L CB 0.588 42.632 42.059 -0.025 0.000 1.184 229 L HN 0.512 nan 8.230 nan 0.000 0.429 230 L N 6.435 127.600 121.223 -0.098 0.000 2.265 230 L HA 0.423 4.763 4.340 -0.000 0.000 0.288 230 L C -0.439 176.364 176.870 -0.112 0.000 1.058 230 L CA -0.454 54.285 54.840 -0.168 0.000 0.809 230 L CB 0.894 42.816 42.059 -0.228 0.000 1.179 230 L HN 0.435 nan 8.230 nan 0.000 0.429 231 I N 2.707 123.217 120.570 -0.101 0.000 2.378 231 I HA 0.389 4.559 4.170 -0.000 0.000 0.291 231 I C 0.820 176.992 176.117 0.091 0.000 0.992 231 I CA -0.051 61.209 61.300 -0.066 0.000 1.154 231 I CB 1.591 39.445 38.000 -0.243 0.000 1.315 231 I HN 0.590 nan 8.210 nan 0.000 0.448 232 G N 5.288 114.144 108.800 0.093 0.000 2.580 232 G HA2 0.140 4.100 3.960 -0.000 0.000 0.278 232 G HA3 0.140 4.100 3.960 -0.000 0.000 0.278 232 G C 0.251 175.291 174.900 0.234 0.000 1.212 232 G CA -0.537 44.647 45.100 0.140 0.000 0.939 232 G HN 0.657 nan 8.290 nan 0.000 0.513 233 N N -0.634 118.144 118.700 0.131 0.000 2.305 233 N HA -0.056 4.684 4.740 -0.000 0.000 0.232 233 N C 1.281 176.846 175.510 0.092 0.000 1.274 233 N CA 0.244 53.338 53.050 0.073 0.000 0.870 233 N CB 0.763 39.264 38.487 0.023 0.000 1.105 233 N HN 0.522 nan 8.380 nan 0.000 0.436 234 E N -0.220 120.020 120.200 0.067 0.000 2.107 234 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 234 E C 1.778 178.394 176.600 0.028 0.000 0.982 234 E CA 1.623 58.056 56.400 0.055 0.000 0.809 234 E CB -0.028 29.698 29.700 0.044 0.000 0.756 234 E HN 0.777 nan 8.360 nan 0.000 0.459 235 T N -2.179 112.385 114.554 0.017 0.000 3.046 235 T HA 0.413 4.763 4.350 -0.000 0.000 0.242 235 T C 1.019 175.724 174.700 0.009 0.000 1.018 235 T CA 0.112 62.217 62.100 0.010 0.000 1.131 235 T CB -0.040 68.832 68.868 0.005 0.000 0.904 235 T HN 0.115 nan 8.240 nan 0.000 0.459 236 A N 1.079 123.908 122.820 0.014 0.000 2.257 236 A HA 0.792 5.112 4.320 -0.000 0.000 0.289 236 A C 1.061 178.660 177.584 0.025 0.000 1.095 236 A CA -0.230 51.818 52.037 0.018 0.000 0.836 236 A CB 0.232 19.248 19.000 0.025 0.000 1.111 236 A HN 0.550 nan 8.150 nan 0.000 0.497 237 G N -0.812 108.003 108.800 0.025 0.000 2.735 237 G HA2 0.441 4.401 3.960 -0.000 0.000 0.192 237 G HA3 0.441 4.401 3.960 -0.000 0.000 0.192 237 G C 0.182 175.120 174.900 0.063 0.000 1.547 237 G CA -0.828 44.291 45.100 0.033 0.000 1.080 237 G HN 0.696 nan 8.290 nan 0.000 0.569 238 L N 0.999 122.267 121.223 0.075 0.000 2.461 238 L HA 0.180 4.520 4.340 -0.000 0.000 0.272 238 L C 1.484 178.440 176.870 0.144 0.000 1.197 238 L CA -0.359 54.556 54.840 0.124 0.000 0.836 238 L CB 1.001 43.139 42.059 0.130 0.000 1.105 238 L HN 0.660 nan 8.230 nan 0.000 0.477 239 S N 1.815 117.642 115.700 0.211 0.000 2.580 239 S HA -0.043 4.427 4.470 -0.000 0.000 0.266 239 S C 0.865 175.542 174.600 0.128 0.000 1.354 239 S CA -0.428 57.865 58.200 0.155 0.000 1.008 239 S CB 0.626 63.923 63.200 0.162 0.000 0.898 239 S HN 0.705 nan 8.310 nan 0.000 0.555 240 N N 0.930 119.664 118.700 0.058 0.000 2.409 240 N HA -0.035 4.705 4.740 -0.000 0.000 0.179 240 N C 1.827 177.339 175.510 0.003 0.000 1.032 240 N CA 0.981 54.052 53.050 0.034 0.000 0.898 240 N CB -0.514 37.980 38.487 0.011 0.000 0.971 240 N HN 0.809 nan 8.380 nan 0.000 0.441 241 A N -0.503 122.283 122.820 -0.055 0.000 2.019 241 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 241 A C 1.838 179.288 177.584 -0.223 0.000 1.164 241 A CA 0.748 52.677 52.037 -0.181 0.000 0.644 241 A CB -0.799 18.024 19.000 -0.295 0.000 0.805 241 A HN 0.443 nan 8.150 nan 0.000 0.449 242 W N -0.695 120.618 121.300 0.021 0.000 2.576 242 W HA 0.095 4.755 4.660 0.000 0.000 0.275 242 W C 2.467 178.999 176.519 0.020 0.000 1.241 242 W CA 0.384 57.746 57.345 0.028 0.000 1.328 242 W CB 0.092 29.575 29.460 0.038 0.000 1.092 242 W HN 0.189 nan 8.180 nan 0.000 0.586 243 R N -0.443 120.192 120.500 0.225 0.000 2.120 243 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 243 R C 1.912 178.262 176.300 0.083 0.000 1.123 243 R CA 1.733 57.911 56.100 0.130 0.000 0.975 243 R CB -0.746 29.605 30.300 0.084 0.000 0.866 243 R HN 0.050 nan 8.270 nan 0.000 0.446 244 T N 1.214 115.802 114.554 0.056 0.000 2.857 244 T HA 0.009 4.359 4.350 -0.000 0.000 0.266 244 T C 1.625 176.344 174.700 0.032 0.000 1.048 244 T CA 0.856 62.968 62.100 0.020 0.000 1.139 244 T CB 0.044 68.903 68.868 -0.015 0.000 0.874 244 T HN 0.146 nan 8.240 nan 0.000 0.455 245 L N 0.485 121.751 121.223 0.072 0.000 2.554 245 L HA 0.164 4.504 4.340 -0.000 0.000 0.226 245 L C 0.671 177.628 176.870 0.145 0.000 1.137 245 L CA -0.331 54.571 54.840 0.104 0.000 0.863 245 L CB -0.357 41.779 42.059 0.128 0.000 0.985 245 L HN 0.226 nan 8.230 nan 0.000 0.451 246 C N 1.187 120.569 119.300 0.136 0.000 2.632 246 C HA 0.013 4.473 4.460 -0.000 0.000 0.415 246 C C 1.779 176.775 174.990 0.010 0.000 1.332 246 C CA -0.754 58.324 59.018 0.100 0.000 1.874 246 C CB 0.507 28.301 27.740 0.089 0.000 2.596 246 C HN 0.435 nan 8.230 nan 0.000 0.590 247 D N 0.546 120.942 120.400 -0.005 0.000 2.123 247 D HA -0.001 4.639 4.640 -0.000 0.000 0.200 247 D C -0.161 175.855 176.300 -0.473 0.000 0.976 247 D CA 1.732 55.607 54.000 -0.208 0.000 0.831 247 D CB 0.181 40.938 40.800 -0.070 0.000 0.974 247 D HN 0.684 nan 8.370 nan 0.000 0.469 248 Y N -1.291 118.995 120.300 -0.024 0.000 2.562 248 Y HA 0.343 4.893 4.550 -0.000 0.000 0.345 248 Y C -0.016 175.798 175.900 -0.144 0.000 1.045 248 Y CA -1.035 57.015 58.100 -0.083 0.000 1.028 248 Y CB 2.264 40.644 38.460 -0.134 0.000 1.297 248 Y HN -0.403 nan 8.280 nan 0.000 0.463 249 T N 2.247 116.826 114.554 0.041 0.000 2.840 249 T HA 0.644 4.994 4.350 -0.000 0.000 0.287 249 T C -1.341 173.328 174.700 -0.051 0.000 0.991 249 T CA -0.589 61.499 62.100 -0.020 0.000 0.964 249 T CB 0.207 69.081 68.868 0.010 0.000 0.954 249 T HN 0.737 nan 8.240 nan 0.000 0.438 250 V N 2.859 122.714 119.914 -0.098 0.000 2.881 250 V HA 1.024 5.144 4.120 -0.000 0.000 0.316 250 V C -0.285 175.786 176.094 -0.038 0.000 1.070 250 V CA -0.630 61.615 62.300 -0.092 0.000 0.976 250 V CB 1.701 33.447 31.823 -0.129 0.000 1.038 250 V HN 1.105 nan 8.190 nan 0.000 0.446 251 S N 2.807 118.482 115.700 -0.041 0.000 2.549 251 S HA 0.738 5.208 4.470 -0.000 0.000 0.280 251 S C -0.832 173.756 174.600 -0.020 0.000 1.109 251 S CA -0.827 57.366 58.200 -0.010 0.000 0.905 251 S CB 1.474 64.683 63.200 0.014 0.000 1.081 251 S HN 0.849 nan 8.310 nan 0.000 0.477 252 I N 2.507 123.090 120.570 0.022 0.000 2.325 252 I HA 0.331 4.501 4.170 -0.000 0.000 0.291 252 I C -2.277 173.879 176.117 0.065 0.000 1.019 252 I CA -2.206 59.126 61.300 0.053 0.000 1.302 252 I CB 0.836 38.872 38.000 0.061 0.000 1.401 252 I HN 0.454 nan 8.210 nan 0.000 0.485 253 P HA 0.132 nan 4.420 nan 0.000 0.265 253 P C -0.653 176.693 177.300 0.076 0.000 1.193 253 P CA -0.040 63.113 63.100 0.088 0.000 0.765 253 P CB 0.557 32.347 31.700 0.151 0.000 0.823 254 M N 2.374 122.007 119.600 0.055 0.000 2.664 254 M HA 0.560 5.040 4.480 -0.000 0.000 0.314 254 M C 0.901 177.223 176.300 0.036 0.000 1.200 254 M CA -0.514 54.816 55.300 0.050 0.000 0.916 254 M CB 1.996 34.634 32.600 0.063 0.000 1.717 254 M HN 0.357 nan 8.290 nan 0.000 0.470 255 A N 1.522 124.361 122.820 0.033 0.000 1.929 255 A HA 0.476 4.796 4.320 -0.000 0.000 0.216 255 A C 0.833 178.429 177.584 0.020 0.000 1.176 255 A CA 1.441 53.492 52.037 0.025 0.000 0.628 255 A CB -0.640 18.373 19.000 0.022 0.000 0.816 255 A HN 0.849 nan 8.150 nan 0.000 0.444 256 G N -3.237 105.578 108.800 0.026 0.000 2.687 256 G HA2 0.419 4.379 3.960 -0.000 0.000 0.291 256 G HA3 0.419 4.379 3.960 -0.000 0.000 0.291 256 G C 0.447 175.371 174.900 0.041 0.000 1.420 256 G CA 0.522 45.637 45.100 0.025 0.000 0.796 256 G HN -0.015 nan 8.290 nan 0.000 0.485 257 S N -0.121 115.602 115.700 0.040 0.000 2.359 257 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 257 S C 2.683 177.322 174.600 0.066 0.000 1.035 257 S CA 1.944 60.182 58.200 0.064 0.000 1.018 257 S CB -0.365 62.863 63.200 0.048 0.000 0.876 257 S HN 1.025 nan 8.310 nan 0.000 0.448 258 A N 0.825 123.672 122.820 0.044 0.000 2.121 258 A HA 0.159 4.479 4.320 -0.000 0.000 0.218 258 A C 1.271 178.876 177.584 0.035 0.000 1.154 258 A CA 0.449 52.507 52.037 0.035 0.000 0.679 258 A CB -0.162 18.853 19.000 0.025 0.000 0.795 258 A HN 0.362 nan 8.150 nan 0.000 0.458 259 S N -0.083 115.642 115.700 0.043 0.000 2.585 259 S HA 0.573 5.043 4.470 -0.000 0.000 0.277 259 S C 0.165 174.794 174.600 0.048 0.000 1.241 259 S CA 0.073 58.297 58.200 0.039 0.000 1.041 259 S CB 1.123 64.345 63.200 0.037 0.000 0.987 259 S HN 0.797 nan 8.310 nan 0.000 0.512 260 S N 1.758 117.479 115.700 0.034 0.000 2.643 260 S HA 0.678 5.148 4.470 -0.000 0.000 0.270 260 S C -1.468 173.144 174.600 0.020 0.000 1.166 260 S CA -1.011 57.208 58.200 0.032 0.000 0.815 260 S CB 0.441 63.652 63.200 0.019 0.000 1.139 260 S HN 0.470 nan 8.310 nan 0.000 0.472 261 L N 1.665 122.897 121.223 0.015 0.000 2.331 261 L HA 0.552 4.892 4.340 -0.000 0.000 0.275 261 L C 0.281 177.152 176.870 0.001 0.000 1.022 261 L CA -0.934 53.909 54.840 0.006 0.000 0.812 261 L CB 1.524 43.584 42.059 0.002 0.000 1.257 261 L HN 0.916 nan 8.230 nan 0.000 0.435 262 N N 0.905 119.603 118.700 -0.003 0.000 2.479 262 N HA 0.092 4.832 4.740 -0.000 0.000 0.257 262 N C 0.851 176.350 175.510 -0.018 0.000 1.232 262 N CA 0.670 53.719 53.050 -0.002 0.000 0.920 262 N CB 1.474 39.959 38.487 -0.005 0.000 1.105 262 N HN 0.717 nan 8.380 nan 0.000 0.444 263 A N 3.459 126.277 122.820 -0.004 0.000 1.873 263 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 263 A C 2.168 179.651 177.584 -0.169 0.000 1.193 263 A CA 2.142 54.143 52.037 -0.061 0.000 0.629 263 A CB -1.645 17.374 19.000 0.033 0.000 0.826 263 A HN 0.871 nan 8.150 nan 0.000 0.447 264 A N -0.169 122.563 122.820 -0.147 0.000 1.933 264 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 264 A C 1.902 179.409 177.584 -0.127 0.000 1.175 264 A CA 1.731 53.664 52.037 -0.173 0.000 0.628 264 A CB -0.830 18.101 19.000 -0.114 0.000 0.814 264 A HN 0.744 nan 8.150 nan 0.000 0.444 265 N N 0.028 118.677 118.700 -0.085 0.000 2.142 265 N HA -0.018 4.722 4.740 -0.000 0.000 0.186 265 N C 1.989 177.461 175.510 -0.064 0.000 1.023 265 N CA 0.977 53.988 53.050 -0.065 0.000 0.852 265 N CB -0.250 38.211 38.487 -0.043 0.000 0.998 265 N HN 0.471 nan 8.380 nan 0.000 0.424 266 A N 1.148 123.929 122.820 -0.064 0.000 1.902 266 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 266 A C 2.284 179.820 177.584 -0.079 0.000 1.181 266 A CA 1.741 53.745 52.037 -0.054 0.000 0.623 266 A CB -0.777 18.195 19.000 -0.047 0.000 0.818 266 A HN 0.355 nan 8.150 nan 0.000 0.443 267 A N -1.280 121.464 122.820 -0.127 0.000 1.897 267 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 267 A C 2.272 179.773 177.584 -0.139 0.000 1.181 267 A CA 2.070 54.011 52.037 -0.161 0.000 0.620 267 A CB -1.204 17.646 19.000 -0.250 0.000 0.821 267 A HN 0.404 nan 8.150 nan 0.000 0.443 268 T N 0.557 115.040 114.554 -0.119 0.000 2.665 268 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 268 T C 2.184 176.862 174.700 -0.037 0.000 1.035 268 T CA 1.873 63.921 62.100 -0.086 0.000 1.151 268 T CB -0.457 68.363 68.868 -0.080 0.000 0.862 268 T HN 0.599 nan 8.240 nan 0.000 0.438 269 A N 0.592 123.399 122.820 -0.022 0.000 1.930 269 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 269 A C 2.271 179.876 177.584 0.036 0.000 1.175 269 A CA 1.116 53.184 52.037 0.051 0.000 0.627 269 A CB -0.624 18.398 19.000 0.037 0.000 0.815 269 A HN 0.550 nan 8.150 nan 0.000 0.443 270 I N -0.978 119.546 120.570 -0.076 0.000 2.277 270 I HA -0.148 4.022 4.170 -0.000 0.000 0.243 270 I C 2.147 178.040 176.117 -0.374 0.000 1.094 270 I CA 0.444 61.619 61.300 -0.208 0.000 1.393 270 I CB -0.293 37.604 38.000 -0.171 0.000 1.078 270 I HN 0.173 nan 8.210 nan 0.000 0.417 271 L N 0.412 121.477 121.223 -0.263 0.000 2.043 271 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 271 L C 2.553 179.296 176.870 -0.211 0.000 1.075 271 L CA 2.037 56.722 54.840 -0.259 0.000 0.752 271 L CB -1.461 40.495 42.059 -0.172 0.000 0.891 271 L HN 0.342 nan 8.230 nan 0.000 0.432 272 Y N 0.773 120.953 120.300 -0.199 0.000 2.200 272 Y HA -0.246 4.304 4.550 0.000 0.000 0.290 272 Y C 2.565 178.375 175.900 -0.151 0.000 1.137 272 Y CA 1.918 59.930 58.100 -0.146 0.000 1.163 272 Y CB -0.332 38.066 38.460 -0.102 0.000 0.988 272 Y HN 0.311 nan 8.280 nan 0.000 0.518 273 E N 0.946 120.779 120.200 -0.611 0.000 2.118 273 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 273 E C 2.170 178.464 176.600 -0.510 0.000 0.992 273 E CA 1.668 57.702 56.400 -0.611 0.000 0.804 273 E CB -0.617 28.899 29.700 -0.307 0.000 0.741 273 E HN 0.547 nan 8.360 nan 0.000 0.458 274 A N -0.035 122.429 122.820 -0.593 0.000 1.873 274 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 274 A C 2.517 179.964 177.584 -0.229 0.000 1.186 274 A CA 1.534 53.310 52.037 -0.435 0.000 0.616 274 A CB -0.768 17.931 19.000 -0.501 0.000 0.823 274 A HN 0.194 nan 8.150 nan 0.000 0.442 275 V N 0.298 120.061 119.914 -0.252 0.000 2.407 275 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 275 V C 2.670 178.666 176.094 -0.163 0.000 1.055 275 V CA 2.305 64.512 62.300 -0.156 0.000 1.049 275 V CB -0.837 30.931 31.823 -0.092 0.000 0.662 275 V HN 0.671 nan 8.190 nan 0.000 0.455 276 R N -0.281 120.034 120.500 -0.310 0.000 2.075 276 R HA -0.187 4.153 4.340 -0.000 0.000 0.232 276 R C 2.350 178.573 176.300 -0.129 0.000 1.126 276 R CA 1.763 57.712 56.100 -0.251 0.000 0.963 276 R CB -0.159 29.871 30.300 -0.451 0.000 0.858 276 R HN 0.591 nan 8.270 nan 0.000 0.435 277 Q N -0.263 119.472 119.800 -0.108 0.000 2.079 277 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 277 Q C 2.262 178.250 176.000 -0.020 0.000 0.974 277 Q CA 1.477 57.263 55.803 -0.030 0.000 0.840 277 Q CB 0.002 28.761 28.738 0.035 0.000 0.898 277 Q HN 0.318 nan 8.270 nan 0.000 0.430 278 R N 0.181 120.667 120.500 -0.023 0.000 2.096 278 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 278 R C 2.162 178.458 176.300 -0.008 0.000 1.127 278 R CA 1.159 57.255 56.100 -0.007 0.000 0.968 278 R CB -0.150 30.147 30.300 -0.005 0.000 0.861 278 R HN 0.273 nan 8.270 nan 0.000 0.440 279 I N 0.025 120.584 120.570 -0.019 0.000 2.353 279 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 279 I C 2.593 178.705 176.117 -0.008 0.000 1.119 279 I CA 1.165 62.459 61.300 -0.009 0.000 1.417 279 I CB -0.295 37.701 38.000 -0.007 0.000 1.078 279 I HN 0.212 nan 8.210 nan 0.000 0.421 280 S N 0.368 116.059 115.700 -0.015 0.000 2.368 280 S HA 0.114 4.584 4.470 -0.000 0.000 0.224 280 S C 1.131 175.726 174.600 -0.007 0.000 1.029 280 S CA 0.870 59.064 58.200 -0.011 0.000 0.988 280 S CB -0.348 62.843 63.200 -0.016 0.000 0.838 280 S HN 0.629 nan 8.310 nan 0.000 0.462 281 G N 0.000 108.795 108.800 -0.008 0.000 5.446 281 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 281 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 281 G CA 0.000 45.096 45.100 -0.008 0.000 0.502 281 G HN 0.000 nan 8.290 nan 0.000 0.925