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 2z2c_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERDGSV HIDARDVNVF CAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCTIGAR PVDLHISGLE QLGATIKLEE GYVKASVDGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM CAATLAEGTT IIENAAREPE IVDTANFLIT DATA SEQUENCE LGAKISGQGT DRIVIEGVER LGGGVYRVLP DRIETGTFLV AAAISRGKII DATA SEQUENCE CRNAQPDTLD AVLAKLRDAG ADIEVGEDWI SLDMHGKRPK AVNVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GFITETVFEN RFMHVPELSR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.320 176.300 0.034 0.000 1.140 1 M CA 0.000 55.373 55.300 0.122 0.000 0.988 1 M CB 0.000 32.601 32.600 0.002 0.000 1.302 2 D N 2.175 122.572 120.400 -0.004 0.000 2.414 2 D HA 0.413 5.055 4.640 0.003 0.000 0.259 2 D C -0.333 175.924 176.300 -0.072 0.000 1.269 2 D CA 0.418 54.404 54.000 -0.025 0.000 1.028 2 D CB 0.767 41.555 40.800 -0.020 0.000 1.093 2 D HN 0.137 nan 8.370 nan 0.000 0.545 3 K N -0.551 119.812 120.400 -0.062 0.000 2.480 3 K HA 0.495 4.817 4.320 0.003 0.000 0.258 3 K C -1.188 175.421 176.600 0.016 0.000 0.990 3 K CA -0.814 55.434 56.287 -0.065 0.000 0.857 3 K CB 1.552 34.060 32.500 0.013 0.000 1.384 3 K HN 0.143 nan 8.250 nan 0.000 0.446 4 F N 1.302 121.258 119.950 0.009 0.000 2.458 4 F HA 0.424 4.953 4.527 0.004 0.000 0.336 4 F C 0.207 176.007 175.800 -0.000 0.000 1.114 4 F CA -1.051 56.950 58.000 0.001 0.000 0.987 4 F CB 1.618 40.612 39.000 -0.011 0.000 1.130 4 F HN 0.303 nan 8.300 nan 0.000 0.458 5 R N 2.971 123.590 120.500 0.199 0.000 2.229 5 R HA 0.698 5.040 4.340 0.003 0.000 0.332 5 R C -1.844 174.480 176.300 0.041 0.000 0.989 5 R CA -0.346 55.811 56.100 0.095 0.000 0.842 5 R CB 0.881 31.220 30.300 0.065 0.000 1.119 5 R HN 0.473 nan 8.270 nan 0.000 0.456 6 V N 4.481 124.413 119.914 0.029 0.000 2.417 6 V HA 0.323 4.445 4.120 0.003 0.000 0.291 6 V C -0.490 175.601 176.094 -0.006 0.000 1.024 6 V CA -0.888 61.406 62.300 -0.009 0.000 0.861 6 V CB 1.669 33.481 31.823 -0.017 0.000 0.985 6 V HN 0.741 nan 8.190 nan 0.000 0.436 7 Q N 2.314 122.105 119.800 -0.016 0.000 2.347 7 Q HA 0.679 5.021 4.340 0.003 0.000 0.262 7 Q C 0.261 176.251 176.000 -0.016 0.000 0.980 7 Q CA 0.132 55.928 55.803 -0.011 0.000 0.867 7 Q CB 1.937 30.669 28.738 -0.010 0.000 1.242 7 Q HN 1.023 nan 8.270 nan 0.000 0.453 8 G N 2.511 111.304 108.800 -0.013 0.000 2.735 8 G HA2 0.766 4.728 3.960 0.003 0.000 0.301 8 G HA3 0.766 4.728 3.960 0.003 0.000 0.301 8 G C -2.789 172.104 174.900 -0.012 0.000 1.279 8 G CA -1.607 43.484 45.100 -0.015 0.000 1.019 8 G HN 0.405 nan 8.290 nan 0.000 0.497 9 P HA 0.417 nan 4.420 nan 0.000 0.292 9 P C -0.843 176.446 177.300 -0.018 0.000 1.283 9 P CA -0.301 62.789 63.100 -0.017 0.000 0.835 9 P CB 1.983 33.674 31.700 -0.016 0.000 1.017 10 T N 2.117 116.659 114.554 -0.021 0.000 2.812 10 T HA 0.263 4.615 4.350 0.003 0.000 0.282 10 T C -0.372 174.316 174.700 -0.020 0.000 0.990 10 T CA -0.616 61.472 62.100 -0.021 0.000 0.960 10 T CB 0.667 69.520 68.868 -0.024 0.000 0.948 10 T HN 0.286 nan 8.240 nan 0.000 0.438 11 K N 5.150 125.539 120.400 -0.018 0.000 2.310 11 K HA 0.322 4.644 4.320 0.003 0.000 0.290 11 K C -0.384 176.207 176.600 -0.016 0.000 1.077 11 K CA -0.423 55.853 56.287 -0.018 0.000 0.922 11 K CB 0.165 32.655 32.500 -0.018 0.000 1.057 11 K HN 0.556 nan 8.250 nan 0.000 0.479 12 L N 5.885 127.102 121.223 -0.011 0.000 2.360 12 L HA 0.110 4.452 4.340 0.003 0.000 0.276 12 L C 0.102 176.971 176.870 -0.002 0.000 1.121 12 L CA 0.122 54.963 54.840 0.001 0.000 0.845 12 L CB 0.545 42.615 42.059 0.018 0.000 1.143 12 L HN 0.717 nan 8.230 nan 0.000 0.452 13 Q N 2.857 122.652 119.800 -0.007 0.000 2.391 13 Q HA 0.827 5.169 4.340 0.003 0.000 0.279 13 Q C -0.415 175.570 176.000 -0.025 0.000 1.028 13 Q CA -0.601 55.191 55.803 -0.019 0.000 0.836 13 Q CB 2.821 31.541 28.738 -0.030 0.000 1.414 13 Q HN 0.693 nan 8.270 nan 0.000 0.397 14 G N 1.271 110.050 108.800 -0.035 0.000 2.236 14 G HA2 0.020 3.982 3.960 0.003 0.000 0.231 14 G HA3 0.020 3.982 3.960 0.003 0.000 0.231 14 G C -1.594 173.271 174.900 -0.059 0.000 1.334 14 G CA -0.519 44.553 45.100 -0.048 0.000 1.137 14 G HN 0.696 nan 8.290 nan 0.000 0.482 15 E N -1.262 118.894 120.200 -0.073 0.000 2.263 15 E HA 0.672 5.024 4.350 0.003 0.000 0.264 15 E C -1.236 175.284 176.600 -0.133 0.000 0.923 15 E CA -0.967 55.379 56.400 -0.090 0.000 0.802 15 E CB 3.125 32.773 29.700 -0.087 0.000 1.228 15 E HN 0.813 nan 8.360 nan 0.000 0.417 16 V N 0.899 120.710 119.914 -0.170 0.000 2.841 16 V HA 0.356 4.479 4.120 0.003 0.000 0.310 16 V C -1.258 174.720 176.094 -0.194 0.000 1.090 16 V CA -0.309 61.823 62.300 -0.280 0.000 0.930 16 V CB 2.415 33.863 31.823 -0.626 0.000 1.014 16 V HN 0.729 nan 8.190 nan 0.000 0.425 17 T N 7.701 122.152 114.554 -0.173 0.000 2.743 17 T HA 0.502 4.854 4.350 0.003 0.000 0.292 17 T C -0.122 174.523 174.700 -0.092 0.000 0.972 17 T CA -0.230 61.813 62.100 -0.095 0.000 0.967 17 T CB 0.346 69.176 68.868 -0.062 0.000 0.926 17 T HN 0.450 nan 8.240 nan 0.000 0.459 18 I N 3.228 123.769 120.570 -0.049 0.000 2.588 18 I HA 0.144 4.316 4.170 0.003 0.000 0.283 18 I C 1.187 177.309 176.117 0.009 0.000 1.119 18 I CA 0.069 61.367 61.300 -0.004 0.000 1.419 18 I CB 0.461 38.481 38.000 0.033 0.000 1.394 18 I HN 0.534 nan 8.210 nan 0.000 0.562 19 S N 3.945 119.664 115.700 0.031 0.000 2.645 19 S HA 0.475 4.947 4.470 0.003 0.000 0.266 19 S C 0.655 175.260 174.600 0.009 0.000 1.258 19 S CA -0.585 57.627 58.200 0.021 0.000 0.990 19 S CB 1.272 64.495 63.200 0.038 0.000 0.967 19 S HN 0.852 nan 8.310 nan 0.000 0.556 20 G N 0.226 109.024 108.800 -0.004 0.000 2.544 20 G HA2 0.445 4.407 3.960 0.003 0.000 0.242 20 G HA3 0.445 4.407 3.960 0.003 0.000 0.242 20 G C -0.059 174.834 174.900 -0.012 0.000 1.247 20 G CA -0.387 44.705 45.100 -0.013 0.000 0.840 20 G HN 0.910 nan 8.290 nan 0.000 0.578 21 A N 1.256 124.069 122.820 -0.011 0.000 2.491 21 A HA 0.250 4.572 4.320 0.003 0.000 0.261 21 A C 1.641 179.219 177.584 -0.009 0.000 1.101 21 A CA 0.200 52.229 52.037 -0.013 0.000 0.772 21 A CB 0.289 19.285 19.000 -0.006 0.000 1.043 21 A HN 0.903 nan 8.150 nan 0.000 0.501 22 K N 2.239 122.626 120.400 -0.021 0.000 2.113 22 K HA -0.191 4.131 4.320 0.003 0.000 0.208 22 K C 0.571 177.202 176.600 0.052 0.000 1.047 22 K CA 2.032 58.321 56.287 0.003 0.000 0.928 22 K CB -0.062 32.425 32.500 -0.022 0.000 0.716 22 K HN 0.740 nan 8.250 nan 0.000 0.446 23 N N -0.253 118.480 118.700 0.055 0.000 2.398 23 N HA 0.042 4.784 4.740 0.003 0.000 0.188 23 N C 0.683 176.244 175.510 0.085 0.000 1.122 23 N CA 0.665 53.787 53.050 0.121 0.000 0.866 23 N CB 0.812 39.373 38.487 0.122 0.000 0.970 23 N HN 0.312 nan 8.380 nan 0.000 0.462 24 A N 0.204 123.041 122.820 0.028 0.000 1.963 24 A HA 0.401 4.723 4.320 0.003 0.000 0.207 24 A C 2.200 179.755 177.584 -0.048 0.000 1.243 24 A CA 0.806 52.833 52.037 -0.016 0.000 0.728 24 A CB -0.480 18.521 19.000 0.001 0.000 0.895 24 A HN 0.170 nan 8.150 nan 0.000 0.467 25 A N 0.391 123.196 122.820 -0.026 0.000 1.892 25 A HA -0.128 4.194 4.320 0.003 0.000 0.218 25 A C 2.151 179.708 177.584 -0.046 0.000 1.188 25 A CA 1.703 53.706 52.037 -0.058 0.000 0.631 25 A CB -0.708 18.273 19.000 -0.032 0.000 0.822 25 A HN 0.460 nan 8.150 nan 0.000 0.447 26 L N -0.392 120.872 121.223 0.068 0.000 2.005 26 L HA -0.086 4.256 4.340 0.003 0.000 0.207 26 L C -0.325 176.694 176.870 0.249 0.000 1.072 26 L CA 1.548 56.524 54.840 0.227 0.000 0.744 26 L CB -1.446 40.864 42.059 0.418 0.000 0.895 26 L HN 0.302 nan 8.230 nan 0.000 0.433 27 P HA -0.134 nan 4.420 nan 0.000 0.221 27 P C 1.832 178.981 177.300 -0.252 0.000 1.150 27 P CA 1.373 64.162 63.100 -0.518 0.000 0.800 27 P CB 0.064 31.063 31.700 -1.167 0.000 0.787 28 I N -0.816 119.600 120.570 -0.257 0.000 2.163 28 I HA -0.240 3.932 4.170 0.003 0.000 0.243 28 I C 2.250 178.121 176.117 -0.411 0.000 1.085 28 I CA 1.118 62.154 61.300 -0.440 0.000 1.347 28 I CB -0.700 36.934 38.000 -0.610 0.000 1.044 28 I HN -0.123 nan 8.210 nan 0.000 0.408 29 L N -0.147 120.907 121.223 -0.282 0.000 2.042 29 L HA -0.220 4.122 4.340 0.003 0.000 0.210 29 L C 2.257 178.967 176.870 -0.266 0.000 1.076 29 L CA 2.084 56.745 54.840 -0.298 0.000 0.749 29 L CB -1.180 40.660 42.059 -0.365 0.000 0.893 29 L HN 0.137 nan 8.230 nan 0.000 0.432 30 F N -0.919 119.030 119.950 -0.001 0.000 2.293 30 F HA -0.017 4.512 4.527 0.004 0.000 0.297 30 F C 2.379 178.216 175.800 0.061 0.000 1.089 30 F CA 0.790 58.832 58.000 0.070 0.000 1.377 30 F CB -0.885 38.205 39.000 0.151 0.000 1.051 30 F HN 0.043 nan 8.300 nan 0.000 0.511 31 A N 0.279 123.200 122.820 0.169 0.000 1.972 31 A HA -0.068 4.254 4.320 0.003 0.000 0.219 31 A C 2.366 180.122 177.584 0.286 0.000 1.169 31 A CA 1.454 53.611 52.037 0.200 0.000 0.635 31 A CB -1.200 17.948 19.000 0.246 0.000 0.810 31 A HN 0.276 nan 8.150 nan 0.000 0.446 32 A N -0.393 122.597 122.820 0.283 0.000 2.186 32 A HA -0.007 4.315 4.320 0.003 0.000 0.219 32 A C 1.942 179.634 177.584 0.179 0.000 1.159 32 A CA 1.259 53.464 52.037 0.279 0.000 0.680 32 A CB -0.614 18.480 19.000 0.158 0.000 0.787 32 A HN 0.512 nan 8.150 nan 0.000 0.467 33 L N -1.071 120.259 121.223 0.177 0.000 2.275 33 L HA -0.101 4.241 4.340 0.003 0.000 0.215 33 L C 2.003 178.979 176.870 0.176 0.000 1.119 33 L CA 0.586 55.550 54.840 0.207 0.000 0.790 33 L CB -0.353 41.865 42.059 0.265 0.000 0.919 33 L HN 0.384 nan 8.230 nan 0.000 0.443 34 L N -0.252 121.037 121.223 0.110 0.000 2.465 34 L HA 0.035 4.377 4.340 0.003 0.000 0.224 34 L C 1.273 178.137 176.870 -0.010 0.000 1.145 34 L CA -0.244 54.606 54.840 0.017 0.000 0.834 34 L CB -0.500 41.554 42.059 -0.008 0.000 0.944 34 L HN 0.124 nan 8.230 nan 0.000 0.451 35 A N 0.168 123.010 122.820 0.037 0.000 2.328 35 A HA 0.248 4.570 4.320 0.003 0.000 0.284 35 A C 0.808 178.410 177.584 0.031 0.000 1.160 35 A CA -0.368 51.678 52.037 0.015 0.000 0.818 35 A CB 0.312 19.339 19.000 0.045 0.000 1.087 35 A HN 0.269 nan 8.150 nan 0.000 0.504 36 E N 0.907 121.109 120.200 0.003 0.000 2.481 36 E HA 0.105 4.457 4.350 0.003 0.000 0.198 36 E C -0.492 176.123 176.600 0.025 0.000 1.027 36 E CA 0.272 56.681 56.400 0.014 0.000 0.900 36 E CB 0.541 30.232 29.700 -0.015 0.000 0.993 36 E HN 0.773 nan 8.360 nan 0.000 0.482 37 E N 0.179 120.394 120.200 0.026 0.000 2.408 37 E HA 0.293 4.645 4.350 0.003 0.000 0.275 37 E C -2.762 173.870 176.600 0.054 0.000 0.935 37 E CA -2.387 54.034 56.400 0.035 0.000 0.775 37 E CB 2.229 31.941 29.700 0.021 0.000 1.277 37 E HN -0.183 nan 8.360 nan 0.000 0.455 38 P HA 0.057 nan 4.420 nan 0.000 0.268 38 P C -1.087 176.275 177.300 0.104 0.000 1.208 38 P CA -0.133 63.020 63.100 0.088 0.000 0.777 38 P CB 0.533 32.286 31.700 0.089 0.000 0.875 39 V N 1.768 121.759 119.914 0.127 0.000 2.735 39 V HA 0.384 4.507 4.120 0.003 0.000 0.310 39 V C -0.258 175.898 176.094 0.103 0.000 1.061 39 V CA -0.485 61.907 62.300 0.153 0.000 0.913 39 V CB 1.937 33.896 31.823 0.227 0.000 1.005 39 V HN 0.541 nan 8.190 nan 0.000 0.428 40 E N 3.788 124.030 120.200 0.070 0.000 2.218 40 E HA 0.578 4.930 4.350 0.003 0.000 0.263 40 E C -1.697 174.863 176.600 -0.067 0.000 0.879 40 E CA -0.649 55.684 56.400 -0.111 0.000 0.762 40 E CB 1.615 31.225 29.700 -0.149 0.000 1.166 40 E HN 0.578 nan 8.360 nan 0.000 0.415 41 I N 3.798 124.280 120.570 -0.147 0.000 2.336 41 I HA 0.206 4.379 4.170 0.003 0.000 0.292 41 I C 0.208 176.248 176.117 -0.129 0.000 0.991 41 I CA -0.270 60.964 61.300 -0.111 0.000 1.227 41 I CB 1.546 39.439 38.000 -0.177 0.000 1.366 41 I HN 0.458 nan 8.210 nan 0.000 0.466 42 Q N 3.798 123.543 119.800 -0.092 0.000 2.257 42 Q HA 0.369 4.711 4.340 0.003 0.000 0.262 42 Q C 0.197 176.147 176.000 -0.083 0.000 0.997 42 Q CA -0.759 54.988 55.803 -0.093 0.000 0.873 42 Q CB 1.282 29.968 28.738 -0.087 0.000 1.312 42 Q HN 0.585 nan 8.270 nan 0.000 0.450 43 N N -0.277 118.384 118.700 -0.065 0.000 2.747 43 N HA -0.160 4.582 4.740 0.003 0.000 0.249 43 N C -1.554 173.930 175.510 -0.044 0.000 1.107 43 N CA 0.320 53.340 53.050 -0.051 0.000 0.707 43 N CB -0.915 37.536 38.487 -0.060 0.000 1.054 43 N HN 0.289 nan 8.380 nan 0.000 0.555 44 V N 1.765 121.650 119.914 -0.048 0.000 2.488 44 V HA 0.342 4.465 4.120 0.003 0.000 0.277 44 V C -1.474 174.608 176.094 -0.020 0.000 1.046 44 V CA -0.948 61.327 62.300 -0.041 0.000 0.986 44 V CB 1.134 32.923 31.823 -0.058 0.000 0.989 44 V HN 0.164 nan 8.190 nan 0.000 0.475 45 P HA 0.186 nan 4.420 nan 0.000 0.271 45 P C -0.844 176.464 177.300 0.014 0.000 1.218 45 P CA -0.491 62.613 63.100 0.007 0.000 0.780 45 P CB 0.741 32.446 31.700 0.008 0.000 0.901 46 K N 3.133 123.549 120.400 0.028 0.000 2.250 46 K HA 0.471 4.793 4.320 0.003 0.000 0.285 46 K C -0.186 176.443 176.600 0.048 0.000 1.097 46 K CA -0.191 56.116 56.287 0.033 0.000 0.913 46 K CB 0.065 32.587 32.500 0.036 0.000 1.179 46 K HN 0.450 nan 8.250 nan 0.000 0.462 47 L N 1.530 122.779 121.223 0.043 0.000 2.540 47 L HA 0.295 4.637 4.340 0.003 0.000 0.256 47 L C 0.864 177.762 176.870 0.046 0.000 1.001 47 L CA -1.075 53.797 54.840 0.054 0.000 0.843 47 L CB 1.502 43.588 42.059 0.045 0.000 1.436 47 L HN 0.277 nan 8.230 nan 0.000 0.410 48 K N 0.606 121.039 120.400 0.054 0.000 2.097 48 K HA -0.136 4.186 4.320 0.003 0.000 0.206 48 K C 1.103 177.729 176.600 0.043 0.000 1.049 48 K CA 1.887 58.201 56.287 0.045 0.000 0.933 48 K CB 0.086 32.617 32.500 0.052 0.000 0.717 48 K HN 0.621 nan 8.250 nan 0.000 0.442 49 D N -0.560 119.871 120.400 0.052 0.000 2.178 49 D HA -0.095 4.547 4.640 0.003 0.000 0.202 49 D C 1.726 178.064 176.300 0.064 0.000 0.974 49 D CA 0.826 54.865 54.000 0.065 0.000 0.841 49 D CB 0.051 40.897 40.800 0.076 0.000 0.953 49 D HN 0.009 nan 8.370 nan 0.000 0.478 50 V N 0.991 120.930 119.914 0.042 0.000 2.307 50 V HA -0.207 3.915 4.120 0.003 0.000 0.245 50 V C 2.203 178.299 176.094 0.004 0.000 1.045 50 V CA 1.756 64.065 62.300 0.015 0.000 1.024 50 V CB -0.445 31.380 31.823 0.003 0.000 0.651 50 V HN 0.279 nan 8.190 nan 0.000 0.449 51 D N 0.096 120.505 120.400 0.014 0.000 2.133 51 D HA -0.220 4.422 4.640 0.003 0.000 0.195 51 D C 1.990 178.296 176.300 0.011 0.000 0.997 51 D CA 2.214 56.220 54.000 0.010 0.000 0.840 51 D CB 0.091 40.899 40.800 0.014 0.000 0.947 51 D HN 0.475 nan 8.370 nan 0.000 0.452 52 T N -0.372 114.196 114.554 0.025 0.000 2.777 52 T HA -0.073 4.279 4.350 0.003 0.000 0.266 52 T C 2.234 176.965 174.700 0.052 0.000 1.040 52 T CA 1.169 63.291 62.100 0.037 0.000 1.141 52 T CB -0.167 68.729 68.868 0.047 0.000 0.868 52 T HN 0.055 nan 8.240 nan 0.000 0.444 53 S N 1.191 116.917 115.700 0.043 0.000 2.368 53 S HA 0.012 4.484 4.470 0.003 0.000 0.224 53 S C 2.132 176.667 174.600 -0.109 0.000 1.029 53 S CA 1.052 59.228 58.200 -0.040 0.000 0.988 53 S CB -0.355 62.766 63.200 -0.132 0.000 0.838 53 S HN 0.402 nan 8.310 nan 0.000 0.462 54 M N 0.926 120.485 119.600 -0.069 0.000 2.080 54 M HA -0.172 4.310 4.480 0.003 0.000 0.260 54 M C 2.292 178.577 176.300 -0.025 0.000 1.068 54 M CA 1.499 56.766 55.300 -0.055 0.000 1.109 54 M CB -0.384 32.197 32.600 -0.031 0.000 1.342 54 M HN 0.138 nan 8.290 nan 0.000 0.405 55 K N 0.553 120.951 120.400 -0.004 0.000 2.063 55 K HA -0.132 4.190 4.320 0.003 0.000 0.208 55 K C 1.876 178.490 176.600 0.022 0.000 1.048 55 K CA 1.162 57.455 56.287 0.010 0.000 0.928 55 K CB -0.176 32.333 32.500 0.014 0.000 0.713 55 K HN 0.284 nan 8.250 nan 0.000 0.442 56 L N 0.419 121.666 121.223 0.041 0.000 2.027 56 L HA -0.191 4.151 4.340 0.003 0.000 0.206 56 L C 1.851 178.761 176.870 0.068 0.000 1.074 56 L CA 0.965 55.856 54.840 0.084 0.000 0.745 56 L CB -0.221 41.945 42.059 0.178 0.000 0.898 56 L HN 0.207 nan 8.230 nan 0.000 0.433 57 L N -0.157 121.073 121.223 0.011 0.000 2.013 57 L HA -0.250 4.092 4.340 0.003 0.000 0.212 57 L C 2.763 179.643 176.870 0.016 0.000 1.073 57 L CA 1.858 56.698 54.840 -0.001 0.000 0.753 57 L CB -1.396 40.621 42.059 -0.071 0.000 0.890 57 L HN 0.224 nan 8.230 nan 0.000 0.432 58 S N -1.227 114.477 115.700 0.007 0.000 2.383 58 S HA -0.255 4.217 4.470 0.003 0.000 0.229 58 S C 1.912 176.515 174.600 0.004 0.000 1.030 58 S CA 1.167 59.371 58.200 0.006 0.000 1.002 58 S CB -0.249 62.953 63.200 0.004 0.000 0.829 58 S HN 0.509 nan 8.310 nan 0.000 0.467 59 Q N 0.360 120.166 119.800 0.011 0.000 2.172 59 Q HA 0.108 4.450 4.340 0.003 0.000 0.200 59 Q C 1.865 177.857 176.000 -0.013 0.000 0.964 59 Q CA 0.783 56.588 55.803 0.003 0.000 0.855 59 Q CB -0.227 28.524 28.738 0.021 0.000 0.918 59 Q HN 0.494 nan 8.270 nan 0.000 0.444 60 L N -1.166 120.063 121.223 0.010 0.000 2.465 60 L HA 0.044 4.386 4.340 0.003 0.000 0.224 60 L C 1.117 177.959 176.870 -0.047 0.000 1.145 60 L CA 0.659 55.496 54.840 -0.004 0.000 0.834 60 L CB -0.122 41.985 42.059 0.079 0.000 0.944 60 L HN 0.444 nan 8.230 nan 0.000 0.451 61 G N -0.229 108.555 108.800 -0.028 0.000 2.134 61 G HA2 -0.165 3.797 3.960 0.003 0.000 0.209 61 G HA3 -0.165 3.797 3.960 0.003 0.000 0.209 61 G C 0.236 175.142 174.900 0.011 0.000 0.993 61 G CA -0.151 44.931 45.100 -0.031 0.000 0.669 61 G HN 0.467 nan 8.290 nan 0.000 0.519 62 A N -0.148 122.691 122.820 0.032 0.000 2.340 62 A HA 0.730 5.052 4.320 0.003 0.000 0.268 62 A C 0.452 178.056 177.584 0.032 0.000 1.100 62 A CA 0.030 52.096 52.037 0.048 0.000 0.803 62 A CB 0.493 19.527 19.000 0.057 0.000 1.043 62 A HN 0.412 nan 8.150 nan 0.000 0.488 63 K N 0.832 121.255 120.400 0.038 0.000 2.227 63 K HA 0.554 4.876 4.320 0.003 0.000 0.280 63 K C -1.110 175.514 176.600 0.039 0.000 1.041 63 K CA -0.210 56.096 56.287 0.031 0.000 0.905 63 K CB 1.593 34.111 32.500 0.029 0.000 1.068 63 K HN 0.343 nan 8.250 nan 0.000 0.470 64 V N 2.752 122.685 119.914 0.031 0.000 2.841 64 V HA 0.431 4.553 4.120 0.003 0.000 0.310 64 V C -0.779 175.340 176.094 0.041 0.000 1.090 64 V CA -0.758 61.564 62.300 0.037 0.000 0.930 64 V CB 1.988 33.818 31.823 0.011 0.000 1.014 64 V HN 0.972 nan 8.190 nan 0.000 0.425 65 E N 3.852 124.094 120.200 0.071 0.000 2.423 65 E HA 0.803 5.155 4.350 0.003 0.000 0.280 65 E C -1.191 175.476 176.600 0.112 0.000 1.030 65 E CA -1.255 55.186 56.400 0.069 0.000 0.812 65 E CB 2.680 32.406 29.700 0.044 0.000 1.313 65 E HN 0.711 nan 8.360 nan 0.000 0.456 66 R N 0.027 120.579 120.500 0.086 0.000 2.846 66 R HA 0.448 4.790 4.340 0.003 0.000 0.263 66 R C -0.634 175.715 176.300 0.082 0.000 1.080 66 R CA -0.253 55.903 56.100 0.092 0.000 0.961 66 R CB 0.580 30.902 30.300 0.037 0.000 1.231 66 R HN 0.565 nan 8.270 nan 0.000 0.465 67 D N 0.471 120.910 120.400 0.065 0.000 2.041 67 D HA 0.038 4.680 4.640 0.003 0.000 0.263 67 D C 1.728 178.047 176.300 0.031 0.000 1.038 67 D CA 0.958 54.985 54.000 0.046 0.000 0.903 67 D CB -1.158 39.670 40.800 0.045 0.000 1.013 67 D HN 0.600 nan 8.370 nan 0.000 0.408 68 G N -0.709 108.100 108.800 0.016 0.000 2.408 68 G HA2 -0.040 3.922 3.960 0.003 0.000 0.217 68 G HA3 -0.040 3.922 3.960 0.003 0.000 0.217 68 G C 0.702 175.587 174.900 -0.024 0.000 1.150 68 G CA 0.795 45.893 45.100 -0.004 0.000 0.776 68 G HN 0.362 nan 8.290 nan 0.000 0.542 69 S N -1.257 114.426 115.700 -0.027 0.000 2.651 69 S HA 0.595 5.067 4.470 0.003 0.000 0.291 69 S C -0.602 173.931 174.600 -0.111 0.000 1.141 69 S CA -0.564 57.569 58.200 -0.112 0.000 1.027 69 S CB 2.418 65.484 63.200 -0.224 0.000 1.043 69 S HN 0.014 nan 8.310 nan 0.000 0.530 70 V N 3.297 123.104 119.914 -0.178 0.000 2.417 70 V HA 0.360 4.482 4.120 0.003 0.000 0.291 70 V C -0.452 175.507 176.094 -0.225 0.000 1.024 70 V CA -0.688 61.542 62.300 -0.118 0.000 0.861 70 V CB 1.101 32.871 31.823 -0.089 0.000 0.985 70 V HN 0.813 nan 8.190 nan 0.000 0.436 71 H N 5.266 124.334 119.070 -0.004 0.000 2.467 71 H HA 0.626 5.184 4.556 0.003 0.000 0.331 71 H C -0.756 174.577 175.328 0.007 0.000 1.120 71 H CA -0.338 55.716 56.048 0.010 0.000 1.270 71 H CB 2.282 32.052 29.762 0.013 0.000 1.466 71 H HN 0.453 nan 8.280 nan 0.000 0.504 72 I N 2.490 123.129 120.570 0.116 0.000 2.512 72 I HA 0.031 4.203 4.170 0.003 0.000 0.287 72 I C -0.633 175.543 176.117 0.097 0.000 1.069 72 I CA -0.656 60.692 61.300 0.081 0.000 1.056 72 I CB 2.241 40.269 38.000 0.047 0.000 1.229 72 I HN 0.448 nan 8.210 nan 0.000 0.429 73 D N 5.504 125.955 120.400 0.085 0.000 2.441 73 D HA 0.502 5.144 4.640 0.003 0.000 0.231 73 D C 0.266 176.617 176.300 0.084 0.000 1.073 73 D CA -0.311 53.737 54.000 0.081 0.000 0.850 73 D CB 1.996 42.836 40.800 0.066 0.000 1.062 73 D HN 0.644 nan 8.370 nan 0.000 0.524 74 A N 4.429 127.310 122.820 0.102 0.000 2.387 74 A HA 0.125 4.447 4.320 0.003 0.000 0.234 74 A C 1.900 179.579 177.584 0.158 0.000 1.253 74 A CA -0.162 51.955 52.037 0.132 0.000 0.894 74 A CB -0.031 19.061 19.000 0.152 0.000 0.963 74 A HN 0.568 nan 8.150 nan 0.000 0.508 75 R N 0.449 121.021 120.500 0.120 0.000 2.103 75 R HA -0.155 4.187 4.340 0.003 0.000 0.242 75 R C 0.031 176.423 176.300 0.153 0.000 1.142 75 R CA 1.678 57.849 56.100 0.119 0.000 0.960 75 R CB -0.122 30.226 30.300 0.081 0.000 0.858 75 R HN 0.336 nan 8.270 nan 0.000 0.439 76 D N -0.141 120.334 120.400 0.125 0.000 2.427 76 D HA 0.090 4.732 4.640 0.003 0.000 0.224 76 D C -0.514 175.839 176.300 0.087 0.000 1.157 76 D CA -0.053 54.009 54.000 0.105 0.000 0.828 76 D CB 0.393 41.227 40.800 0.056 0.000 0.974 76 D HN -0.131 nan 8.370 nan 0.000 0.498 77 V N 2.707 122.711 119.914 0.150 0.000 2.584 77 V HA -0.046 4.076 4.120 0.003 0.000 0.303 77 V C 1.030 177.045 176.094 -0.132 0.000 1.035 77 V CA 0.769 63.106 62.300 0.062 0.000 1.172 77 V CB 0.295 32.245 31.823 0.212 0.000 0.896 77 V HN 0.389 nan 8.190 nan 0.000 0.486 78 N N 2.864 121.376 118.700 -0.313 0.000 1.986 78 N HA 0.075 4.817 4.740 0.003 0.000 0.227 78 N C -0.859 174.051 175.510 -1.000 0.000 1.387 78 N CA -0.142 52.555 53.050 -0.589 0.000 0.810 78 N CB 0.514 38.834 38.487 -0.279 0.000 1.140 78 N HN 0.319 nan 8.380 nan 0.000 0.504 79 V N 1.661 121.115 119.914 -0.766 0.000 2.448 79 V HA 0.474 4.596 4.120 0.003 0.000 0.295 79 V C -0.678 175.139 176.094 -0.462 0.000 1.025 79 V CA -0.555 61.371 62.300 -0.623 0.000 0.859 79 V CB 1.101 32.761 31.823 -0.271 0.000 0.988 79 V HN 0.018 nan 8.190 nan 0.000 0.431 80 F N 1.882 121.762 119.950 -0.116 0.000 2.698 80 F HA 0.366 4.895 4.527 0.003 0.000 0.304 80 F C 0.582 176.370 175.800 -0.019 0.000 1.108 80 F CA -0.778 57.172 58.000 -0.082 0.000 1.263 80 F CB 0.382 39.327 39.000 -0.092 0.000 1.013 80 F HN 0.425 nan 8.300 nan 0.000 0.532 81 C N 2.058 121.412 119.300 0.090 0.000 2.298 81 C HA 0.836 5.298 4.460 0.003 0.000 0.323 81 C C 0.516 175.571 174.990 0.108 0.000 1.284 81 C CA -0.641 58.417 59.018 0.067 0.000 1.577 81 C CB -0.657 27.052 27.740 -0.052 0.000 2.249 81 C HN 0.414 nan 8.230 nan 0.000 0.497 82 A N 9.431 132.354 122.820 0.171 0.000 2.415 82 A HA 0.591 4.913 4.320 0.003 0.000 0.309 82 A C -2.293 175.454 177.584 0.271 0.000 1.356 82 A CA -0.938 51.211 52.037 0.187 0.000 0.998 82 A CB -0.073 19.028 19.000 0.169 0.000 1.145 82 A HN 0.800 nan 8.150 nan 0.000 0.545 83 P HA 0.059 nan 4.420 nan 0.000 0.279 83 P C 0.359 177.825 177.300 0.276 0.000 1.252 83 P CA -0.299 63.028 63.100 0.378 0.000 0.811 83 P CB 0.771 32.605 31.700 0.223 0.000 1.035 84 Y N 2.817 123.218 120.300 0.169 0.000 2.139 84 Y HA -0.328 4.223 4.550 0.002 0.000 0.282 84 Y C 2.007 177.910 175.900 0.004 0.000 1.179 84 Y CA 2.957 61.040 58.100 -0.028 0.000 1.161 84 Y CB -0.889 37.517 38.460 -0.090 0.000 0.970 84 Y HN 0.440 nan 8.280 nan 0.000 0.511 85 D N -0.862 119.589 120.400 0.085 0.000 2.265 85 D HA -0.194 4.448 4.640 0.003 0.000 0.208 85 D C 1.769 178.021 176.300 -0.079 0.000 0.977 85 D CA 1.482 55.476 54.000 -0.009 0.000 0.871 85 D CB -0.394 40.448 40.800 0.071 0.000 0.925 85 D HN 0.364 nan 8.370 nan 0.000 0.485 86 L N 0.100 121.295 121.223 -0.048 0.000 2.269 86 L HA 0.114 4.456 4.340 0.003 0.000 0.200 86 L C 2.493 179.313 176.870 -0.083 0.000 1.069 86 L CA 0.441 55.257 54.840 -0.040 0.000 0.804 86 L CB -0.606 41.469 42.059 0.026 0.000 0.987 86 L HN 0.087 nan 8.230 nan 0.000 0.468 87 V N 1.491 121.343 119.914 -0.104 0.000 2.407 87 V HA -0.291 3.831 4.120 0.003 0.000 0.248 87 V C 2.597 178.552 176.094 -0.231 0.000 1.055 87 V CA 1.908 64.127 62.300 -0.135 0.000 1.049 87 V CB -0.835 30.922 31.823 -0.111 0.000 0.662 87 V HN 0.562 nan 8.190 nan 0.000 0.455 88 K N 1.533 121.682 120.400 -0.418 0.000 2.160 88 K HA -0.237 4.085 4.320 0.003 0.000 0.206 88 K C 1.757 178.216 176.600 -0.235 0.000 1.047 88 K CA 2.103 58.119 56.287 -0.452 0.000 0.930 88 K CB -0.778 31.250 32.500 -0.786 0.000 0.720 88 K HN 0.621 nan 8.250 nan 0.000 0.450 89 T N -2.164 112.284 114.554 -0.178 0.000 3.107 89 T HA 0.198 4.550 4.350 0.003 0.000 0.249 89 T C 0.632 175.297 174.700 -0.058 0.000 1.096 89 T CA -0.338 61.700 62.100 -0.103 0.000 1.012 89 T CB 0.000 68.814 68.868 -0.091 0.000 0.977 89 T HN 0.298 nan 8.240 nan 0.000 0.527 90 M N 1.039 120.595 119.600 -0.072 0.000 2.356 90 M HA 0.380 4.862 4.480 0.003 0.000 0.215 90 M C 0.436 176.675 176.300 -0.100 0.000 0.978 90 M CA -0.650 54.621 55.300 -0.048 0.000 0.972 90 M CB 1.091 33.701 32.600 0.017 0.000 2.529 90 M HN -0.153 nan 8.290 nan 0.000 0.447 91 R N 1.199 121.616 120.500 -0.138 0.000 2.140 91 R HA -0.203 4.139 4.340 0.003 0.000 0.250 91 R C 1.640 177.742 176.300 -0.330 0.000 1.150 91 R CA 2.233 58.205 56.100 -0.213 0.000 0.966 91 R CB -0.385 29.790 30.300 -0.208 0.000 0.869 91 R HN 0.809 nan 8.270 nan 0.000 0.445 92 A N 1.209 123.829 122.820 -0.333 0.000 2.125 92 A HA -0.151 4.171 4.320 0.003 0.000 0.219 92 A C 2.163 179.414 177.584 -0.557 0.000 1.156 92 A CA 1.609 53.318 52.037 -0.546 0.000 0.671 92 A CB -0.494 18.359 19.000 -0.245 0.000 0.794 92 A HN 0.498 nan 8.150 nan 0.000 0.459 93 S N -0.010 115.476 115.700 -0.356 0.000 2.465 93 S HA -0.187 4.285 4.470 0.003 0.000 0.241 93 S C 1.640 175.978 174.600 -0.437 0.000 1.000 93 S CA 1.159 59.103 58.200 -0.427 0.000 0.964 93 S CB -0.729 62.440 63.200 -0.051 0.000 0.763 93 S HN 0.520 nan 8.310 nan 0.000 0.512 94 I N 0.973 121.286 120.570 -0.427 0.000 2.479 94 I HA -0.116 4.056 4.170 0.003 0.000 0.258 94 I C 1.650 177.626 176.117 -0.237 0.000 1.165 94 I CA 0.935 62.017 61.300 -0.365 0.000 1.422 94 I CB -0.588 37.084 38.000 -0.547 0.000 1.087 94 I HN 0.387 nan 8.210 nan 0.000 0.441 95 W N 0.455 121.479 121.300 -0.459 0.000 2.825 95 W HA 0.100 4.763 4.660 0.005 0.000 0.243 95 W C 2.379 178.755 176.519 -0.238 0.000 1.293 95 W CA 0.747 57.869 57.345 -0.372 0.000 1.403 95 W CB -1.133 28.037 29.460 -0.483 0.000 1.134 95 W HN 0.314 nan 8.180 nan 0.000 0.666 96 A N -0.421 122.369 122.820 -0.051 0.000 2.067 96 A HA -0.068 4.254 4.320 0.003 0.000 0.217 96 A C 1.944 179.647 177.584 0.197 0.000 1.156 96 A CA 0.823 53.000 52.037 0.233 0.000 0.683 96 A CB -0.523 18.642 19.000 0.276 0.000 0.808 96 A HN 0.139 nan 8.150 nan 0.000 0.455 97 L N 0.188 121.492 121.223 0.136 0.000 1.976 97 L HA -0.016 4.326 4.340 0.003 0.000 0.209 97 L C 2.458 179.411 176.870 0.139 0.000 1.071 97 L CA 2.381 57.299 54.840 0.129 0.000 0.746 97 L CB -1.200 40.917 42.059 0.098 0.000 0.890 97 L HN 0.308 nan 8.230 nan 0.000 0.432 98 G N -0.534 108.361 108.800 0.158 0.000 2.545 98 G HA2 -0.253 3.709 3.960 0.003 0.000 0.217 98 G HA3 -0.253 3.709 3.960 0.003 0.000 0.217 98 G C -0.574 174.392 174.900 0.111 0.000 1.218 98 G CA 1.083 46.262 45.100 0.133 0.000 0.787 98 G HN 0.372 nan 8.290 nan 0.000 0.571 99 P HA -0.109 nan 4.420 nan 0.000 0.216 99 P C 2.111 179.497 177.300 0.144 0.000 1.157 99 P CA 0.961 64.138 63.100 0.130 0.000 0.880 99 P CB -0.177 31.636 31.700 0.189 0.000 0.791 100 L N -1.456 119.887 121.223 0.200 0.000 2.056 100 L HA -0.141 4.201 4.340 0.003 0.000 0.207 100 L C 2.379 179.310 176.870 0.102 0.000 1.078 100 L CA 1.296 56.278 54.840 0.236 0.000 0.749 100 L CB -1.061 41.117 42.059 0.197 0.000 0.901 100 L HN -0.120 nan 8.230 nan 0.000 0.433 101 V N 0.060 120.012 119.914 0.064 0.000 2.295 101 V HA -0.274 3.848 4.120 0.003 0.000 0.246 101 V C 2.784 178.871 176.094 -0.011 0.000 1.049 101 V CA 1.782 64.094 62.300 0.020 0.000 1.024 101 V CB -1.112 30.732 31.823 0.035 0.000 0.648 101 V HN 0.468 nan 8.190 nan 0.000 0.447 102 A N -0.041 122.774 122.820 -0.008 0.000 1.940 102 A HA -0.253 4.069 4.320 0.003 0.000 0.219 102 A C 2.447 179.961 177.584 -0.117 0.000 1.176 102 A CA 2.292 54.303 52.037 -0.044 0.000 0.631 102 A CB -0.460 18.523 19.000 -0.028 0.000 0.814 102 A HN 0.514 nan 8.150 nan 0.000 0.446 103 R N -2.751 117.637 120.500 -0.187 0.000 2.175 103 R HA 0.174 4.516 4.340 0.003 0.000 0.202 103 R C 0.821 176.720 176.300 -0.667 0.000 1.018 103 R CA 0.730 56.556 56.100 -0.457 0.000 1.029 103 R CB 0.061 29.990 30.300 -0.619 0.000 0.959 103 R HN 0.460 nan 8.270 nan 0.000 0.480 104 F N -1.294 118.537 119.950 -0.198 0.000 2.724 104 F HA 0.411 4.940 4.527 0.003 0.000 0.306 104 F C 1.352 176.989 175.800 -0.271 0.000 1.100 104 F CA 0.445 58.254 58.000 -0.319 0.000 1.255 104 F CB 1.520 40.046 39.000 -0.789 0.000 1.072 104 F HN 0.245 nan 8.300 nan 0.000 0.589 105 G N 0.918 109.679 108.800 -0.064 0.000 2.175 105 G HA2 -0.217 3.745 3.960 0.003 0.000 0.244 105 G HA3 -0.217 3.745 3.960 0.003 0.000 0.244 105 G C 0.043 174.918 174.900 -0.042 0.000 0.982 105 G CA 0.228 45.302 45.100 -0.043 0.000 0.641 105 G HN 0.517 nan 8.290 nan 0.000 0.527 106 Q N -1.403 118.344 119.800 -0.089 0.000 2.527 106 Q HA 0.644 4.986 4.340 0.003 0.000 0.280 106 Q C -0.522 175.438 176.000 -0.066 0.000 0.977 106 Q CA -0.565 55.204 55.803 -0.058 0.000 0.837 106 Q CB 1.567 30.290 28.738 -0.025 0.000 1.454 106 Q HN 1.469 nan 8.270 nan 0.000 0.387 107 G N 0.906 109.727 108.800 0.036 0.000 2.720 107 G HA2 0.562 4.524 3.960 0.003 0.000 0.295 107 G HA3 0.562 4.524 3.960 0.003 0.000 0.295 107 G C -1.889 173.080 174.900 0.116 0.000 1.437 107 G CA -0.603 44.556 45.100 0.100 0.000 0.886 107 G HN 0.449 nan 8.290 nan 0.000 0.509 108 Q N -0.313 119.571 119.800 0.141 0.000 2.304 108 Q HA 0.647 4.989 4.340 0.003 0.000 0.270 108 Q C -0.951 175.171 176.000 0.204 0.000 1.035 108 Q CA -0.674 55.215 55.803 0.144 0.000 0.781 108 Q CB 3.269 32.045 28.738 0.064 0.000 1.261 108 Q HN 0.428 nan 8.270 nan 0.000 0.444 109 V N 1.274 121.331 119.914 0.238 0.000 2.623 109 V HA 0.381 4.503 4.120 0.003 0.000 0.304 109 V C -0.359 175.847 176.094 0.186 0.000 1.054 109 V CA -0.865 61.560 62.300 0.209 0.000 0.882 109 V CB 2.170 34.044 31.823 0.085 0.000 1.002 109 V HN 0.798 nan 8.190 nan 0.000 0.424 110 S N 3.753 119.512 115.700 0.099 0.000 2.546 110 S HA 0.184 4.656 4.470 0.003 0.000 0.290 110 S C -0.205 174.319 174.600 -0.127 0.000 1.290 110 S CA -0.301 57.744 58.200 -0.259 0.000 1.069 110 S CB 0.068 63.106 63.200 -0.269 0.000 0.846 110 S HN 0.606 nan 8.310 nan 0.000 0.495 111 L N 8.258 129.405 121.223 -0.127 0.000 2.462 111 L HA 0.367 4.709 4.340 0.003 0.000 0.272 111 L C -2.183 174.640 176.870 -0.079 0.000 1.166 111 L CA -1.127 53.662 54.840 -0.085 0.000 0.880 111 L CB 0.084 42.106 42.059 -0.061 0.000 1.142 111 L HN 0.471 nan 8.230 nan 0.000 0.473 112 P HA 0.350 nan 4.420 nan 0.000 0.271 112 P C 0.429 177.696 177.300 -0.055 0.000 1.216 112 P CA 0.449 63.492 63.100 -0.094 0.000 0.771 112 P CB 0.999 32.616 31.700 -0.137 0.000 0.864 113 G N 1.587 110.373 108.800 -0.022 0.000 2.229 113 G HA2 0.105 4.067 3.960 0.003 0.000 0.189 113 G HA3 0.105 4.067 3.960 0.003 0.000 0.189 113 G C 0.436 175.324 174.900 -0.020 0.000 1.000 113 G CA 0.180 45.270 45.100 -0.017 0.000 0.663 113 G HN 0.948 nan 8.290 nan 0.000 0.493 114 G N -1.080 107.707 108.800 -0.022 0.000 3.344 114 G HA2 0.160 4.122 3.960 0.003 0.000 0.677 114 G HA3 0.160 4.122 3.960 0.003 0.000 0.677 114 G C 0.280 175.166 174.900 -0.024 0.000 1.155 114 G CA 0.683 45.773 45.100 -0.016 0.000 1.137 114 G HN 1.952 nan 8.290 nan 0.000 0.571 115 C N 3.269 122.550 119.300 -0.032 0.000 2.797 115 C HA 0.812 5.274 4.460 0.003 0.000 0.306 115 C C 2.088 177.045 174.990 -0.056 0.000 1.207 115 C CA 0.673 59.660 59.018 -0.053 0.000 1.507 115 C CB 0.932 28.615 27.740 -0.095 0.000 2.028 115 C HN 1.580 nan 8.230 nan 0.000 0.475 116 T N 1.917 116.436 114.554 -0.058 0.000 2.759 116 T HA -0.211 4.141 4.350 0.003 0.000 0.269 116 T C 1.548 176.198 174.700 -0.084 0.000 1.042 116 T CA 2.034 64.099 62.100 -0.058 0.000 1.140 116 T CB -0.460 68.372 68.868 -0.060 0.000 0.864 116 T HN 0.905 nan 8.240 nan 0.000 0.455 117 I N -0.852 119.628 120.570 -0.149 0.000 2.928 117 I HA 0.459 4.631 4.170 0.003 0.000 0.266 117 I C 1.009 177.065 176.117 -0.102 0.000 1.234 117 I CA 0.309 61.496 61.300 -0.189 0.000 1.483 117 I CB -0.465 37.313 38.000 -0.369 0.000 1.097 117 I HN 0.452 nan 8.210 nan 0.000 0.455 118 G N -0.366 108.398 108.800 -0.059 0.000 2.328 118 G HA2 0.464 4.426 3.960 0.003 0.000 0.295 118 G HA3 0.464 4.426 3.960 0.003 0.000 0.295 118 G C 0.009 174.934 174.900 0.042 0.000 1.413 118 G CA -0.229 44.907 45.100 0.060 0.000 0.817 118 G HN 0.051 nan 8.290 nan 0.000 0.546 119 A N -0.461 122.395 122.820 0.060 0.000 1.968 119 A HA 0.308 4.630 4.320 0.003 0.000 0.217 119 A C 1.488 179.093 177.584 0.035 0.000 1.169 119 A CA 1.696 53.754 52.037 0.034 0.000 0.638 119 A CB -0.516 18.501 19.000 0.029 0.000 0.812 119 A HN 1.367 nan 8.150 nan 0.000 0.446 120 R N -1.171 119.378 120.500 0.081 0.000 3.209 120 R HA -0.110 4.232 4.340 0.003 0.000 0.252 120 R C -2.403 173.913 176.300 0.028 0.000 0.958 120 R CA 0.426 56.579 56.100 0.088 0.000 0.651 120 R CB -2.134 28.212 30.300 0.076 0.000 1.142 120 R HN 0.540 nan 8.270 nan 0.000 0.441 121 P HA 0.085 nan 4.420 nan 0.000 0.274 121 P C 0.585 177.897 177.300 0.020 0.000 1.256 121 P CA -0.158 62.949 63.100 0.011 0.000 0.795 121 P CB 0.885 32.597 31.700 0.020 0.000 1.038 122 V N -2.762 117.154 119.914 0.004 0.000 2.988 122 V HA 0.105 4.227 4.120 0.003 0.000 0.356 122 V C 1.333 177.497 176.094 0.118 0.000 1.380 122 V CA 0.122 62.444 62.300 0.038 0.000 1.184 122 V CB -0.642 31.044 31.823 -0.228 0.000 1.204 122 V HN 0.532 nan 8.190 nan 0.000 0.530 123 D N 1.053 121.502 120.400 0.081 0.000 2.182 123 D HA -0.246 4.396 4.640 0.003 0.000 0.201 123 D C 1.722 178.067 176.300 0.076 0.000 0.986 123 D CA 1.501 55.539 54.000 0.063 0.000 0.847 123 D CB 0.094 40.916 40.800 0.037 0.000 0.942 123 D HN 0.550 nan 8.370 nan 0.000 0.467 124 L N -0.100 121.177 121.223 0.090 0.000 2.131 124 L HA -0.075 4.267 4.340 0.003 0.000 0.206 124 L C 2.811 179.696 176.870 0.024 0.000 1.087 124 L CA 0.649 55.508 54.840 0.033 0.000 0.767 124 L CB -0.548 41.502 42.059 -0.015 0.000 0.917 124 L HN 0.094 nan 8.230 nan 0.000 0.441 125 H N 0.217 119.300 119.070 0.023 0.000 2.290 125 H HA -0.174 4.384 4.556 0.004 0.000 0.298 125 H C 2.376 177.723 175.328 0.031 0.000 1.087 125 H CA 1.713 57.783 56.048 0.036 0.000 1.291 125 H CB 0.108 29.882 29.762 0.021 0.000 1.369 125 H HN 0.240 nan 8.280 nan 0.000 0.492 126 I N 0.247 120.915 120.570 0.163 0.000 2.127 126 I HA -0.249 3.923 4.170 0.003 0.000 0.241 126 I C 2.730 178.886 176.117 0.065 0.000 1.075 126 I CA 1.186 62.541 61.300 0.093 0.000 1.334 126 I CB -1.013 37.025 38.000 0.064 0.000 1.040 126 I HN 0.164 nan 8.210 nan 0.000 0.405 127 S N 0.798 116.529 115.700 0.051 0.000 2.423 127 S HA -0.058 4.414 4.470 0.003 0.000 0.231 127 S C 2.010 176.622 174.600 0.021 0.000 1.014 127 S CA 1.269 59.486 58.200 0.028 0.000 0.965 127 S CB -0.471 62.739 63.200 0.017 0.000 0.785 127 S HN 0.555 nan 8.310 nan 0.000 0.495 128 G N 1.054 109.868 108.800 0.022 0.000 2.421 128 G HA2 0.025 3.987 3.960 0.003 0.000 0.217 128 G HA3 0.025 3.987 3.960 0.003 0.000 0.217 128 G C 1.346 176.261 174.900 0.026 0.000 1.143 128 G CA 0.462 45.571 45.100 0.014 0.000 0.784 128 G HN 0.517 nan 8.290 nan 0.000 0.541 129 L N -0.072 121.177 121.223 0.042 0.000 2.179 129 L HA 0.081 4.423 4.340 0.003 0.000 0.208 129 L C 2.750 179.639 176.870 0.033 0.000 1.096 129 L CA 0.714 55.580 54.840 0.043 0.000 0.779 129 L CB -0.328 41.768 42.059 0.061 0.000 0.922 129 L HN 0.252 nan 8.230 nan 0.000 0.443 130 E N 0.129 120.348 120.200 0.031 0.000 2.106 130 E HA -0.243 4.109 4.350 0.003 0.000 0.192 130 E C 2.151 178.762 176.600 0.017 0.000 0.984 130 E CA 0.979 57.394 56.400 0.024 0.000 0.806 130 E CB -0.057 29.656 29.700 0.023 0.000 0.750 130 E HN 0.538 nan 8.360 nan 0.000 0.458 131 Q N 0.228 120.037 119.800 0.015 0.000 2.224 131 Q HA -0.073 4.269 4.340 0.003 0.000 0.203 131 Q C 1.816 177.824 176.000 0.014 0.000 0.970 131 Q CA 0.734 56.544 55.803 0.011 0.000 0.865 131 Q CB 0.052 28.794 28.738 0.005 0.000 0.922 131 Q HN 0.306 nan 8.270 nan 0.000 0.445 132 L N -0.973 120.259 121.223 0.016 0.000 2.612 132 L HA 0.148 4.490 4.340 0.003 0.000 0.230 132 L C 1.087 177.963 176.870 0.011 0.000 1.140 132 L CA 0.444 55.292 54.840 0.014 0.000 0.896 132 L CB 0.146 42.213 42.059 0.014 0.000 1.065 132 L HN 0.402 nan 8.230 nan 0.000 0.447 133 G N -0.666 108.141 108.800 0.012 0.000 2.231 133 G HA2 -0.205 3.757 3.960 0.003 0.000 0.206 133 G HA3 -0.205 3.757 3.960 0.003 0.000 0.206 133 G C 0.430 175.338 174.900 0.013 0.000 0.996 133 G CA -0.191 44.916 45.100 0.010 0.000 0.645 133 G HN 0.428 nan 8.290 nan 0.000 0.498 134 A N 0.306 123.136 122.820 0.017 0.000 2.425 134 A HA 0.631 4.953 4.320 0.003 0.000 0.242 134 A C 0.576 178.173 177.584 0.022 0.000 1.077 134 A CA 1.348 53.397 52.037 0.021 0.000 0.781 134 A CB 0.320 19.337 19.000 0.028 0.000 1.020 134 A HN 0.769 nan 8.150 nan 0.000 0.494 135 T N 2.406 116.973 114.554 0.023 0.000 2.758 135 T HA 0.548 4.900 4.350 0.003 0.000 0.285 135 T C -0.307 174.411 174.700 0.030 0.000 0.981 135 T CA 0.142 62.256 62.100 0.024 0.000 0.965 135 T CB 0.159 69.039 68.868 0.021 0.000 0.927 135 T HN 0.409 nan 8.240 nan 0.000 0.448 136 I N 4.487 125.076 120.570 0.032 0.000 2.418 136 I HA 0.443 4.615 4.170 0.003 0.000 0.287 136 I C 0.187 176.325 176.117 0.036 0.000 1.008 136 I CA -0.992 60.330 61.300 0.038 0.000 1.104 136 I CB 1.592 39.617 38.000 0.042 0.000 1.264 136 I HN 0.545 nan 8.210 nan 0.000 0.438 137 K N 5.846 126.271 120.400 0.040 0.000 2.306 137 K HA 0.810 5.132 4.320 0.003 0.000 0.236 137 K C -1.446 175.184 176.600 0.049 0.000 1.013 137 K CA -0.975 55.336 56.287 0.039 0.000 0.857 137 K CB 2.683 35.205 32.500 0.036 0.000 1.214 137 K HN 0.409 nan 8.250 nan 0.000 0.449 138 L N 0.715 121.965 121.223 0.045 0.000 2.349 138 L HA 0.419 4.761 4.340 0.003 0.000 0.278 138 L C -1.441 175.465 176.870 0.059 0.000 0.996 138 L CA 0.035 54.908 54.840 0.054 0.000 0.825 138 L CB 1.731 43.810 42.059 0.033 0.000 1.243 138 L HN 0.934 nan 8.230 nan 0.000 0.412 139 E N 4.010 124.265 120.200 0.093 0.000 2.265 139 E HA 0.333 4.685 4.350 0.003 0.000 0.262 139 E C -0.676 176.007 176.600 0.138 0.000 0.889 139 E CA -0.338 56.116 56.400 0.090 0.000 0.789 139 E CB 0.990 30.735 29.700 0.075 0.000 1.221 139 E HN 0.712 nan 8.360 nan 0.000 0.414 140 E N 2.901 123.154 120.200 0.089 0.000 2.360 140 E HA -0.288 4.064 4.350 0.003 0.000 0.238 140 E C 0.603 177.243 176.600 0.067 0.000 1.186 140 E CA 0.841 57.292 56.400 0.084 0.000 0.719 140 E CB -1.416 28.353 29.700 0.115 0.000 1.236 140 E HN 1.058 nan 8.360 nan 0.000 0.386 141 G N -1.412 107.391 108.800 0.005 0.000 2.159 141 G HA2 -0.361 3.601 3.960 0.003 0.000 0.256 141 G HA3 -0.361 3.601 3.960 0.003 0.000 0.256 141 G C -0.270 174.523 174.900 -0.178 0.000 0.977 141 G CA 0.384 45.419 45.100 -0.109 0.000 0.652 141 G HN 0.340 nan 8.290 nan 0.000 0.531 142 Y N -0.183 120.126 120.300 0.015 0.000 2.341 142 Y HA 0.517 5.070 4.550 0.005 0.000 0.337 142 Y C 0.734 176.648 175.900 0.024 0.000 1.014 142 Y CA -0.897 57.221 58.100 0.030 0.000 1.111 142 Y CB 2.038 40.519 38.460 0.034 0.000 1.194 142 Y HN 0.059 nan 8.280 nan 0.000 0.462 143 V N 5.348 125.357 119.914 0.158 0.000 2.397 143 V HA 0.104 4.226 4.120 0.003 0.000 0.262 143 V C -0.210 175.961 176.094 0.127 0.000 1.047 143 V CA -0.507 61.858 62.300 0.107 0.000 1.003 143 V CB -0.407 31.453 31.823 0.062 0.000 1.037 143 V HN 0.612 nan 8.190 nan 0.000 0.480 144 K N 4.456 124.919 120.400 0.104 0.000 2.367 144 K HA 0.754 5.076 4.320 0.003 0.000 0.263 144 K C -0.340 176.299 176.600 0.066 0.000 1.000 144 K CA -0.286 56.053 56.287 0.087 0.000 0.891 144 K CB 2.109 34.654 32.500 0.075 0.000 1.117 144 K HN 0.702 nan 8.250 nan 0.000 0.443 145 A N 1.996 124.854 122.820 0.064 0.000 2.330 145 A HA 0.632 4.954 4.320 0.003 0.000 0.313 145 A C -0.586 177.022 177.584 0.041 0.000 1.124 145 A CA -0.672 51.397 52.037 0.052 0.000 0.774 145 A CB 0.987 20.022 19.000 0.058 0.000 1.198 145 A HN 0.657 nan 8.150 nan 0.000 0.465 146 S N 0.687 116.406 115.700 0.032 0.000 2.540 146 S HA 0.780 5.252 4.470 0.003 0.000 0.275 146 S C -1.085 173.524 174.600 0.016 0.000 1.123 146 S CA -0.741 57.472 58.200 0.022 0.000 0.907 146 S CB 1.495 64.710 63.200 0.025 0.000 1.081 146 S HN 1.599 nan 8.310 nan 0.000 0.476 147 V N 1.392 121.311 119.914 0.008 0.000 2.841 147 V HA 0.544 4.666 4.120 0.003 0.000 0.310 147 V C -1.590 174.505 176.094 0.002 0.000 1.090 147 V CA -0.673 61.630 62.300 0.005 0.000 0.930 147 V CB 2.029 33.852 31.823 0.001 0.000 1.014 147 V HN 1.098 nan 8.190 nan 0.000 0.425 148 D N 4.336 124.739 120.400 0.004 0.000 2.339 148 D HA 0.582 5.224 4.640 0.003 0.000 0.241 148 D C 0.415 176.713 176.300 -0.002 0.000 1.183 148 D CA 1.659 55.661 54.000 0.004 0.000 0.859 148 D CB 0.875 41.679 40.800 0.007 0.000 1.067 148 D HN 1.259 nan 8.370 nan 0.000 0.484 149 G N 4.244 113.041 108.800 -0.006 0.000 2.527 149 G HA2 -0.208 3.754 3.960 0.003 0.000 0.227 149 G HA3 -0.208 3.754 3.960 0.003 0.000 0.227 149 G C -0.192 174.694 174.900 -0.023 0.000 1.291 149 G CA -0.561 44.531 45.100 -0.013 0.000 0.904 149 G HN 0.661 nan 8.290 nan 0.000 0.577 150 R N -0.679 119.806 120.500 -0.026 0.000 2.543 150 R HA 0.626 4.968 4.340 0.003 0.000 0.268 150 R C 0.867 177.154 176.300 -0.021 0.000 1.067 150 R CA -0.691 55.389 56.100 -0.032 0.000 1.142 150 R CB 0.377 30.656 30.300 -0.035 0.000 1.110 150 R HN 0.471 nan 8.270 nan 0.000 0.549 151 L N 1.140 122.350 121.223 -0.022 0.000 2.476 151 L HA 0.150 4.492 4.340 0.003 0.000 0.264 151 L C 0.216 177.080 176.870 -0.011 0.000 1.224 151 L CA 0.144 54.977 54.840 -0.012 0.000 0.821 151 L CB 0.181 42.235 42.059 -0.009 0.000 1.101 151 L HN 0.382 nan 8.230 nan 0.000 0.488 152 K N 0.351 120.748 120.400 -0.005 0.000 2.376 152 K HA 0.440 4.762 4.320 0.003 0.000 0.257 152 K C -0.208 176.393 176.600 0.001 0.000 0.939 152 K CA -0.396 55.889 56.287 -0.003 0.000 0.809 152 K CB 1.723 34.223 32.500 -0.000 0.000 1.121 152 K HN 0.573 nan 8.250 nan 0.000 0.425 153 G N 2.008 110.807 108.800 -0.002 0.000 2.474 153 G HA2 0.399 4.361 3.960 0.003 0.000 0.233 153 G HA3 0.399 4.361 3.960 0.003 0.000 0.233 153 G C -0.774 174.136 174.900 0.016 0.000 1.278 153 G CA 0.183 45.285 45.100 0.003 0.000 0.861 153 G HN 0.730 nan 8.290 nan 0.000 0.567 154 A N 1.358 124.196 122.820 0.030 0.000 2.572 154 A HA 0.617 4.939 4.320 0.003 0.000 0.295 154 A C -0.684 176.964 177.584 0.107 0.000 1.072 154 A CA -0.709 51.361 52.037 0.055 0.000 0.691 154 A CB 1.108 20.132 19.000 0.040 0.000 1.291 154 A HN 0.942 nan 8.150 nan 0.000 0.404 155 H N 1.555 120.621 119.070 -0.007 0.000 2.864 155 H HA 0.517 5.075 4.556 0.004 0.000 0.281 155 H C -1.049 174.275 175.328 -0.006 0.000 1.093 155 H CA -0.143 55.901 56.048 -0.007 0.000 1.453 155 H CB 0.183 29.942 29.762 -0.006 0.000 1.462 155 H HN 0.464 nan 8.280 nan 0.000 0.480 156 I N 6.596 127.201 120.570 0.059 0.000 2.355 156 I HA 0.103 4.275 4.170 0.003 0.000 0.288 156 I C -0.543 175.517 176.117 -0.094 0.000 0.999 156 I CA -0.753 60.521 61.300 -0.043 0.000 1.163 156 I CB 1.709 39.709 38.000 -0.000 0.000 1.316 156 I HN 0.319 nan 8.210 nan 0.000 0.454 157 V N 7.193 127.007 119.914 -0.167 0.000 2.364 157 V HA 0.346 4.468 4.120 0.003 0.000 0.272 157 V C 0.406 176.457 176.094 -0.072 0.000 1.036 157 V CA -0.460 61.762 62.300 -0.130 0.000 0.880 157 V CB 1.129 32.850 31.823 -0.170 0.000 0.991 157 V HN 0.648 nan 8.190 nan 0.000 0.460 158 M N 3.399 122.972 119.600 -0.046 0.000 2.120 158 M HA 0.240 4.722 4.480 0.003 0.000 0.354 158 M C 0.613 176.894 176.300 -0.032 0.000 1.287 158 M CA -0.244 55.035 55.300 -0.035 0.000 1.103 158 M CB 0.797 33.380 32.600 -0.029 0.000 1.623 158 M HN 0.592 nan 8.290 nan 0.000 0.471 159 D N 2.361 122.743 120.400 -0.030 0.000 2.178 159 D HA -0.112 4.530 4.640 0.003 0.000 0.201 159 D C 0.034 176.320 176.300 -0.023 0.000 0.980 159 D CA 1.542 55.527 54.000 -0.025 0.000 0.842 159 D CB 0.324 41.111 40.800 -0.022 0.000 0.948 159 D HN 0.533 nan 8.370 nan 0.000 0.472 160 K N -0.834 119.552 120.400 -0.024 0.000 2.444 160 K HA 0.577 4.899 4.320 0.003 0.000 0.252 160 K C -1.109 175.474 176.600 -0.028 0.000 0.993 160 K CA -0.991 55.280 56.287 -0.027 0.000 0.847 160 K CB 2.346 34.827 32.500 -0.032 0.000 1.340 160 K HN -0.323 nan 8.250 nan 0.000 0.446 161 V N 1.449 121.345 119.914 -0.029 0.000 2.508 161 V HA 0.228 4.350 4.120 0.003 0.000 0.281 161 V C -0.340 175.737 176.094 -0.029 0.000 1.041 161 V CA 0.067 62.354 62.300 -0.022 0.000 1.016 161 V CB 0.912 32.726 31.823 -0.016 0.000 0.984 161 V HN 0.829 nan 8.190 nan 0.000 0.478 162 S N 4.118 119.808 115.700 -0.017 0.000 2.750 162 S HA 0.320 4.792 4.470 0.003 0.000 0.276 162 S C 0.493 175.109 174.600 0.026 0.000 1.165 162 S CA -0.580 57.617 58.200 -0.006 0.000 1.047 162 S CB 1.672 64.856 63.200 -0.026 0.000 1.056 162 S HN 0.331 nan 8.310 nan 0.000 0.481 163 V N 5.336 125.294 119.914 0.073 0.000 2.231 163 V HA -0.151 3.971 4.120 0.003 0.000 0.250 163 V C 2.737 178.980 176.094 0.250 0.000 1.058 163 V CA 2.800 65.187 62.300 0.145 0.000 1.022 163 V CB -1.251 30.681 31.823 0.182 0.000 0.640 163 V HN 0.945 nan 8.190 nan 0.000 0.445 164 G N -0.926 108.046 108.800 0.286 0.000 2.418 164 G HA2 -0.167 3.795 3.960 0.003 0.000 0.217 164 G HA3 -0.167 3.795 3.960 0.003 0.000 0.217 164 G C 1.678 176.656 174.900 0.130 0.000 1.158 164 G CA 1.004 46.388 45.100 0.474 0.000 0.771 164 G HN 0.663 nan 8.290 nan 0.000 0.545 165 A N -0.114 122.484 122.820 -0.370 0.000 2.016 165 A HA 0.126 4.448 4.320 0.003 0.000 0.217 165 A C 2.466 179.937 177.584 -0.189 0.000 1.162 165 A CA 2.104 53.739 52.037 -0.670 0.000 0.662 165 A CB -0.559 18.142 19.000 -0.500 0.000 0.812 165 A HN 0.273 nan 8.150 nan 0.000 0.450 166 T N -0.293 114.231 114.554 -0.050 0.000 2.737 166 T HA -0.114 4.238 4.350 0.003 0.000 0.265 166 T C 1.896 176.600 174.700 0.006 0.000 1.038 166 T CA 1.707 63.802 62.100 -0.008 0.000 1.144 166 T CB -0.346 68.529 68.868 0.012 0.000 0.866 166 T HN 0.151 nan 8.240 nan 0.000 0.434 167 V N 1.394 121.336 119.914 0.048 0.000 2.343 167 V HA -0.181 3.941 4.120 0.003 0.000 0.247 167 V C 2.782 178.865 176.094 -0.019 0.000 1.051 167 V CA 1.899 64.166 62.300 -0.054 0.000 1.036 167 V CB -1.126 30.554 31.823 -0.238 0.000 0.654 167 V HN 0.517 nan 8.190 nan 0.000 0.451 168 T N 0.351 114.996 114.554 0.151 0.000 2.652 168 T HA -0.170 4.182 4.350 0.003 0.000 0.267 168 T C 1.778 176.526 174.700 0.080 0.000 1.039 168 T CA 2.031 64.252 62.100 0.201 0.000 1.153 168 T CB -0.263 68.795 68.868 0.317 0.000 0.863 168 T HN 0.363 nan 8.240 nan 0.000 0.428 169 I N 0.432 121.021 120.570 0.031 0.000 2.286 169 I HA -0.086 4.086 4.170 0.003 0.000 0.245 169 I C 2.549 178.668 176.117 0.004 0.000 1.104 169 I CA 0.975 62.284 61.300 0.015 0.000 1.397 169 I CB -0.378 37.621 38.000 -0.002 0.000 1.072 169 I HN 0.271 nan 8.210 nan 0.000 0.417 170 M N 0.428 120.023 119.600 -0.009 0.000 2.086 170 M HA -0.255 4.227 4.480 0.003 0.000 0.261 170 M C 2.516 178.798 176.300 -0.029 0.000 1.067 170 M CA 2.058 57.344 55.300 -0.023 0.000 1.116 170 M CB -0.206 32.373 32.600 -0.035 0.000 1.348 170 M HN 0.340 nan 8.290 nan 0.000 0.407 171 C N 0.606 119.887 119.300 -0.031 0.000 2.429 171 C HA -0.049 4.413 4.460 0.003 0.000 0.277 171 C C 2.999 177.983 174.990 -0.009 0.000 1.262 171 C CA 1.005 60.008 59.018 -0.025 0.000 1.733 171 C CB -1.638 26.091 27.740 -0.019 0.000 2.010 171 C HN 0.745 nan 8.230 nan 0.000 0.483 172 A N 0.390 123.215 122.820 0.009 0.000 1.969 172 A HA 0.179 4.501 4.320 0.003 0.000 0.218 172 A C 2.303 179.882 177.584 -0.008 0.000 1.169 172 A CA 1.739 53.783 52.037 0.011 0.000 0.635 172 A CB -0.655 18.364 19.000 0.032 0.000 0.810 172 A HN 0.567 nan 8.150 nan 0.000 0.445 173 A N -0.106 122.708 122.820 -0.011 0.000 2.066 173 A HA -0.017 4.306 4.320 0.003 0.000 0.218 173 A C 2.303 179.868 177.584 -0.030 0.000 1.157 173 A CA 2.035 54.062 52.037 -0.016 0.000 0.670 173 A CB -1.246 17.747 19.000 -0.012 0.000 0.804 173 A HN 0.739 nan 8.150 nan 0.000 0.453 174 T N -2.005 112.525 114.554 -0.040 0.000 2.929 174 T HA -0.014 4.338 4.350 0.003 0.000 0.271 174 T C 1.251 175.916 174.700 -0.059 0.000 1.085 174 T CA 1.417 63.484 62.100 -0.056 0.000 1.125 174 T CB -0.324 68.501 68.868 -0.072 0.000 0.874 174 T HN 0.318 nan 8.240 nan 0.000 0.494 175 L N 0.357 121.546 121.223 -0.055 0.000 2.857 175 L HA 0.542 4.884 4.340 0.003 0.000 0.249 175 L C 1.276 178.115 176.870 -0.051 0.000 1.172 175 L CA -0.585 54.217 54.840 -0.063 0.000 0.980 175 L CB -0.179 41.831 42.059 -0.083 0.000 1.299 175 L HN 0.275 nan 8.230 nan 0.000 0.535 176 A N 0.378 123.175 122.820 -0.039 0.000 2.332 176 A HA 0.203 4.525 4.320 0.003 0.000 0.258 176 A C 0.138 177.705 177.584 -0.029 0.000 1.087 176 A CA -0.156 51.864 52.037 -0.029 0.000 0.802 176 A CB 0.294 19.283 19.000 -0.019 0.000 1.042 176 A HN 0.265 nan 8.150 nan 0.000 0.489 177 E N 0.064 120.250 120.200 -0.024 0.000 2.180 177 E HA 0.448 4.800 4.350 0.003 0.000 0.283 177 E C 0.782 177.372 176.600 -0.018 0.000 1.061 177 E CA 1.051 57.438 56.400 -0.022 0.000 0.861 177 E CB 0.322 30.011 29.700 -0.018 0.000 1.056 177 E HN 1.307 nan 8.360 nan 0.000 0.407 178 G N 2.960 111.748 108.800 -0.020 0.000 2.568 178 G HA2 -0.215 3.747 3.960 0.003 0.000 0.222 178 G HA3 -0.215 3.747 3.960 0.003 0.000 0.222 178 G C -0.380 174.508 174.900 -0.020 0.000 1.321 178 G CA -0.445 44.644 45.100 -0.019 0.000 0.893 178 G HN 0.523 nan 8.290 nan 0.000 0.569 179 T N 0.805 115.348 114.554 -0.019 0.000 2.859 179 T HA 0.692 5.044 4.350 0.003 0.000 0.281 179 T C -0.086 174.607 174.700 -0.012 0.000 1.005 179 T CA 0.314 62.401 62.100 -0.022 0.000 1.025 179 T CB 1.671 70.519 68.868 -0.032 0.000 0.977 179 T HN 0.745 nan 8.240 nan 0.000 0.458 180 T N 3.647 118.195 114.554 -0.010 0.000 2.824 180 T HA 0.563 4.915 4.350 0.003 0.000 0.282 180 T C -0.600 174.107 174.700 0.010 0.000 0.993 180 T CA -0.587 61.518 62.100 0.008 0.000 0.967 180 T CB 0.553 69.425 68.868 0.007 0.000 0.960 180 T HN 0.350 nan 8.240 nan 0.000 0.441 181 I N 4.478 125.077 120.570 0.048 0.000 2.389 181 I HA 0.438 4.610 4.170 0.003 0.000 0.288 181 I C -0.341 175.859 176.117 0.137 0.000 0.999 181 I CA -0.720 60.622 61.300 0.070 0.000 1.129 181 I CB 1.743 39.749 38.000 0.010 0.000 1.288 181 I HN 0.579 nan 8.210 nan 0.000 0.444 182 I N 5.463 126.079 120.570 0.078 0.000 2.307 182 I HA 0.262 4.434 4.170 0.003 0.000 0.289 182 I C 0.391 176.547 176.117 0.065 0.000 1.021 182 I CA -0.468 60.868 61.300 0.060 0.000 1.224 182 I CB 1.020 39.035 38.000 0.024 0.000 1.376 182 I HN 0.409 nan 8.210 nan 0.000 0.470 183 E N 6.048 126.288 120.200 0.066 0.000 2.216 183 E HA 0.167 4.519 4.350 0.003 0.000 0.279 183 E C 0.068 176.677 176.600 0.014 0.000 0.997 183 E CA -0.303 56.128 56.400 0.052 0.000 0.817 183 E CB 1.463 31.205 29.700 0.070 0.000 1.096 183 E HN 0.667 nan 8.360 nan 0.000 0.393 184 N N 1.146 119.855 118.700 0.015 0.000 2.780 184 N HA -0.214 4.528 4.740 0.003 0.000 0.248 184 N C -0.726 174.786 175.510 0.005 0.000 1.102 184 N CA 0.195 53.248 53.050 0.005 0.000 0.697 184 N CB -0.412 38.071 38.487 -0.006 0.000 1.028 184 N HN 0.485 nan 8.380 nan 0.000 0.554 185 A N 0.397 123.224 122.820 0.012 0.000 2.445 185 A HA 0.628 4.950 4.320 0.003 0.000 0.242 185 A C 0.904 178.499 177.584 0.018 0.000 1.075 185 A CA 0.424 52.468 52.037 0.011 0.000 0.777 185 A CB 0.614 19.622 19.000 0.014 0.000 1.013 185 A HN 0.584 nan 8.150 nan 0.000 0.493 186 A N 1.258 124.090 122.820 0.020 0.000 2.425 186 A HA 0.439 4.761 4.320 0.003 0.000 0.242 186 A C 0.935 178.544 177.584 0.043 0.000 1.077 186 A CA -0.164 51.894 52.037 0.035 0.000 0.781 186 A CB 0.068 19.093 19.000 0.042 0.000 1.020 186 A HN 0.846 nan 8.150 nan 0.000 0.494 187 R N 0.150 120.693 120.500 0.072 0.000 2.432 187 R HA 0.101 4.443 4.340 0.003 0.000 0.260 187 R C -0.537 175.808 176.300 0.075 0.000 0.935 187 R CA -0.195 55.962 56.100 0.096 0.000 1.080 187 R CB 0.227 30.614 30.300 0.146 0.000 1.155 187 R HN 0.774 nan 8.270 nan 0.000 0.531 188 E N 1.593 121.796 120.200 0.006 0.000 2.568 188 E HA -0.072 4.280 4.350 0.003 0.000 0.262 188 E C -1.616 174.835 176.600 -0.249 0.000 0.961 188 E CA -1.013 55.271 56.400 -0.192 0.000 0.945 188 E CB 0.469 30.129 29.700 -0.068 0.000 0.924 188 E HN -0.083 nan 8.360 nan 0.000 0.467 189 P HA -0.195 nan 4.420 nan 0.000 0.218 189 P C 0.286 177.527 177.300 -0.099 0.000 1.146 189 P CA 1.266 64.235 63.100 -0.220 0.000 0.820 189 P CB 0.300 31.866 31.700 -0.223 0.000 0.778 190 E N -1.099 119.050 120.200 -0.085 0.000 2.208 190 E HA -0.057 4.295 4.350 0.003 0.000 0.193 190 E C 1.951 178.526 176.600 -0.042 0.000 0.988 190 E CA 0.597 56.974 56.400 -0.037 0.000 0.828 190 E CB -0.853 28.842 29.700 -0.007 0.000 0.763 190 E HN 0.287 nan 8.360 nan 0.000 0.478 191 I N -0.286 120.259 120.570 -0.042 0.000 2.353 191 I HA -0.208 3.964 4.170 0.003 0.000 0.248 191 I C 1.888 177.984 176.117 -0.035 0.000 1.119 191 I CA 0.503 61.780 61.300 -0.039 0.000 1.417 191 I CB 0.009 38.000 38.000 -0.016 0.000 1.078 191 I HN 0.003 nan 8.210 nan 0.000 0.421 192 V N 0.535 120.435 119.914 -0.025 0.000 2.295 192 V HA -0.327 3.795 4.120 0.003 0.000 0.246 192 V C 2.170 178.272 176.094 0.015 0.000 1.049 192 V CA 2.233 64.530 62.300 -0.004 0.000 1.024 192 V CB -0.580 31.245 31.823 0.002 0.000 0.648 192 V HN 0.408 nan 8.190 nan 0.000 0.447 193 D N -0.133 120.286 120.400 0.031 0.000 2.104 193 D HA -0.161 4.481 4.640 0.003 0.000 0.194 193 D C 2.260 178.558 176.300 -0.003 0.000 0.994 193 D CA 1.955 56.014 54.000 0.099 0.000 0.830 193 D CB -0.178 40.689 40.800 0.112 0.000 0.959 193 D HN 0.411 nan 8.370 nan 0.000 0.452 194 T N -0.372 114.153 114.554 -0.049 0.000 2.777 194 T HA -0.074 4.278 4.350 0.003 0.000 0.266 194 T C 1.911 176.573 174.700 -0.064 0.000 1.040 194 T CA 1.378 63.433 62.100 -0.075 0.000 1.141 194 T CB -0.405 68.385 68.868 -0.130 0.000 0.868 194 T HN 0.224 nan 8.240 nan 0.000 0.444 195 A N 2.369 125.148 122.820 -0.069 0.000 1.902 195 A HA -0.143 4.179 4.320 0.003 0.000 0.217 195 A C 2.231 179.752 177.584 -0.106 0.000 1.181 195 A CA 1.495 53.487 52.037 -0.075 0.000 0.623 195 A CB -0.549 18.423 19.000 -0.047 0.000 0.818 195 A HN 0.373 nan 8.150 nan 0.000 0.443 196 N N -1.109 117.533 118.700 -0.097 0.000 2.270 196 N HA -0.074 4.668 4.740 0.003 0.000 0.181 196 N C 1.340 176.649 175.510 -0.336 0.000 1.016 196 N CA 1.209 54.206 53.050 -0.088 0.000 0.870 196 N CB -0.575 37.977 38.487 0.109 0.000 0.979 196 N HN 0.533 nan 8.380 nan 0.000 0.431 197 F N 1.803 121.237 119.950 -0.859 0.000 2.102 197 F HA -0.042 4.488 4.527 0.004 0.000 0.298 197 F C 1.959 177.505 175.800 -0.425 0.000 1.105 197 F CA 1.084 58.469 58.000 -1.025 0.000 1.239 197 F CB -0.579 37.884 39.000 -0.896 0.000 0.991 197 F HN -0.077 nan 8.300 nan 0.000 0.474 198 L N -0.029 120.906 121.223 -0.480 0.000 2.079 198 L HA -0.266 4.076 4.340 0.003 0.000 0.210 198 L C 2.548 179.201 176.870 -0.362 0.000 1.081 198 L CA 1.538 56.110 54.840 -0.447 0.000 0.752 198 L CB -0.648 41.286 42.059 -0.208 0.000 0.896 198 L HN 0.229 nan 8.230 nan 0.000 0.433 199 I N -0.874 119.541 120.570 -0.259 0.000 2.252 199 I HA -0.260 3.912 4.170 0.003 0.000 0.245 199 I C 2.373 178.388 176.117 -0.170 0.000 1.102 199 I CA 1.334 62.533 61.300 -0.169 0.000 1.385 199 I CB -0.388 37.554 38.000 -0.097 0.000 1.064 199 I HN 0.215 nan 8.210 nan 0.000 0.414 200 T N 1.484 115.918 114.554 -0.200 0.000 2.869 200 T HA -0.129 4.223 4.350 0.003 0.000 0.270 200 T C 1.599 176.180 174.700 -0.198 0.000 1.082 200 T CA 1.155 63.173 62.100 -0.138 0.000 1.123 200 T CB -0.235 68.609 68.868 -0.041 0.000 0.856 200 T HN 0.308 nan 8.240 nan 0.000 0.499 201 L N -0.266 120.761 121.223 -0.326 0.000 2.592 201 L HA 0.371 4.713 4.340 0.003 0.000 0.227 201 L C 1.787 178.548 176.870 -0.182 0.000 1.127 201 L CA 0.220 54.893 54.840 -0.278 0.000 0.884 201 L CB -0.141 41.679 42.059 -0.399 0.000 1.065 201 L HN 0.396 nan 8.230 nan 0.000 0.457 202 G N 0.304 109.009 108.800 -0.157 0.000 2.134 202 G HA2 -0.183 3.779 3.960 0.003 0.000 0.209 202 G HA3 -0.183 3.779 3.960 0.003 0.000 0.209 202 G C 0.317 175.152 174.900 -0.108 0.000 0.993 202 G CA -0.151 44.883 45.100 -0.110 0.000 0.669 202 G HN 0.461 nan 8.290 nan 0.000 0.519 203 A N -0.013 122.726 122.820 -0.135 0.000 2.386 203 A HA 0.639 4.961 4.320 0.003 0.000 0.248 203 A C 0.457 177.988 177.584 -0.088 0.000 1.082 203 A CA 0.137 52.106 52.037 -0.112 0.000 0.789 203 A CB 0.475 19.396 19.000 -0.131 0.000 1.025 203 A HN 0.170 nan 8.150 nan 0.000 0.490 204 K N 2.072 122.431 120.400 -0.069 0.000 2.347 204 K HA 0.547 4.869 4.320 0.003 0.000 0.262 204 K C -1.182 175.388 176.600 -0.050 0.000 1.052 204 K CA 0.306 56.560 56.287 -0.055 0.000 0.946 204 K CB 0.687 33.159 32.500 -0.045 0.000 1.220 204 K HN 0.592 nan 8.250 nan 0.000 0.450 205 I N 1.320 121.861 120.570 -0.049 0.000 2.582 205 I HA 0.296 4.468 4.170 0.003 0.000 0.292 205 I C -0.109 175.990 176.117 -0.031 0.000 1.066 205 I CA -0.646 60.629 61.300 -0.042 0.000 1.053 205 I CB 2.279 40.249 38.000 -0.051 0.000 1.241 205 I HN 0.504 nan 8.210 nan 0.000 0.421 206 S N 2.657 118.343 115.700 -0.025 0.000 2.564 206 S HA 0.853 5.325 4.470 0.003 0.000 0.274 206 S C 0.184 174.776 174.600 -0.013 0.000 1.124 206 S CA 0.050 58.240 58.200 -0.017 0.000 0.869 206 S CB 2.130 65.320 63.200 -0.017 0.000 1.105 206 S HN 1.290 nan 8.310 nan 0.000 0.472 207 G N 0.808 109.604 108.800 -0.007 0.000 2.195 207 G HA2 -0.211 3.751 3.960 0.003 0.000 0.224 207 G HA3 -0.211 3.751 3.960 0.003 0.000 0.224 207 G C 0.104 175.006 174.900 0.004 0.000 0.990 207 G CA 0.026 45.126 45.100 -0.001 0.000 0.639 207 G HN 1.286 nan 8.290 nan 0.000 0.514 208 Q N 0.588 120.387 119.800 -0.001 0.000 2.315 208 Q HA 0.385 4.727 4.340 0.003 0.000 0.289 208 Q C 1.223 177.230 176.000 0.012 0.000 1.044 208 Q CA 1.149 56.953 55.803 0.001 0.000 0.920 208 Q CB 0.896 29.629 28.738 -0.008 0.000 1.214 208 Q HN 1.851 nan 8.270 nan 0.000 0.392 209 G N 2.124 110.935 108.800 0.019 0.000 2.217 209 G HA2 -0.304 3.658 3.960 0.003 0.000 0.246 209 G HA3 -0.304 3.658 3.960 0.003 0.000 0.246 209 G C 0.251 175.180 174.900 0.048 0.000 0.990 209 G CA 0.478 45.601 45.100 0.038 0.000 0.627 209 G HN 1.201 nan 8.290 nan 0.000 0.522 210 T N -1.890 112.683 114.554 0.032 0.000 2.927 210 T HA 0.555 4.907 4.350 0.003 0.000 0.286 210 T C 0.901 175.617 174.700 0.027 0.000 1.040 210 T CA 0.625 62.742 62.100 0.029 0.000 1.010 210 T CB 1.768 70.648 68.868 0.019 0.000 1.177 210 T HN 0.345 nan 8.240 nan 0.000 0.546 211 D N -0.690 119.725 120.400 0.024 0.000 2.392 211 D HA -0.043 4.599 4.640 0.003 0.000 0.228 211 D C 0.682 176.996 176.300 0.024 0.000 1.003 211 D CA 0.336 54.350 54.000 0.023 0.000 0.917 211 D CB 0.046 40.857 40.800 0.019 0.000 0.890 211 D HN 0.570 nan 8.370 nan 0.000 0.532 212 R N 0.307 120.821 120.500 0.022 0.000 2.518 212 R HA 0.455 4.797 4.340 0.003 0.000 0.296 212 R C -1.577 174.732 176.300 0.015 0.000 1.080 212 R CA -0.659 55.456 56.100 0.025 0.000 0.922 212 R CB 0.698 31.014 30.300 0.028 0.000 1.184 212 R HN 0.055 nan 8.270 nan 0.000 0.445 213 I N 4.775 125.354 120.570 0.015 0.000 2.354 213 I HA 0.328 4.500 4.170 0.003 0.000 0.292 213 I C -0.367 175.750 176.117 0.000 0.000 0.989 213 I CA -1.000 60.302 61.300 0.003 0.000 1.188 213 I CB 2.033 40.033 38.000 -0.001 0.000 1.342 213 I HN 0.229 nan 8.210 nan 0.000 0.457 214 V N 7.372 127.279 119.914 -0.011 0.000 2.417 214 V HA 0.476 4.598 4.120 0.003 0.000 0.291 214 V C -0.285 175.795 176.094 -0.023 0.000 1.024 214 V CA -0.530 61.758 62.300 -0.020 0.000 0.861 214 V CB 1.464 33.270 31.823 -0.029 0.000 0.985 214 V HN 0.415 nan 8.190 nan 0.000 0.436 215 I N 3.668 124.224 120.570 -0.023 0.000 2.418 215 I HA 0.464 4.636 4.170 0.003 0.000 0.287 215 I C -0.176 175.923 176.117 -0.030 0.000 1.008 215 I CA -0.444 60.838 61.300 -0.029 0.000 1.104 215 I CB 1.858 39.841 38.000 -0.028 0.000 1.264 215 I HN 0.517 nan 8.210 nan 0.000 0.438 216 E N 3.772 123.951 120.200 -0.034 0.000 2.146 216 E HA 0.549 4.901 4.350 0.003 0.000 0.282 216 E C 0.314 176.892 176.600 -0.037 0.000 0.989 216 E CA -0.234 56.146 56.400 -0.033 0.000 0.799 216 E CB 1.312 30.992 29.700 -0.033 0.000 1.088 216 E HN 0.729 nan 8.360 nan 0.000 0.397 217 G N 1.665 110.445 108.800 -0.035 0.000 2.527 217 G HA2 0.415 4.377 3.960 0.003 0.000 0.248 217 G HA3 0.415 4.377 3.960 0.003 0.000 0.248 217 G C -0.245 174.630 174.900 -0.042 0.000 1.231 217 G CA -0.280 44.797 45.100 -0.039 0.000 0.838 217 G HN 0.416 nan 8.290 nan 0.000 0.570 218 V N -1.073 118.811 119.914 -0.050 0.000 3.126 218 V HA 0.567 4.689 4.120 0.003 0.000 0.314 218 V C 0.908 176.969 176.094 -0.055 0.000 1.138 218 V CA -0.765 61.505 62.300 -0.052 0.000 1.034 218 V CB 2.015 33.804 31.823 -0.058 0.000 1.075 218 V HN 0.681 nan 8.190 nan 0.000 0.442 219 E N 1.245 121.414 120.200 -0.052 0.000 2.038 219 E HA -0.095 4.257 4.350 0.003 0.000 0.195 219 E C 0.722 177.282 176.600 -0.067 0.000 1.000 219 E CA 1.963 58.331 56.400 -0.053 0.000 0.803 219 E CB 0.121 29.795 29.700 -0.044 0.000 0.750 219 E HN 0.780 nan 8.360 nan 0.000 0.448 220 R N -0.699 119.760 120.500 -0.069 0.000 2.604 220 R HA 0.415 4.757 4.340 0.003 0.000 0.270 220 R C -1.202 175.049 176.300 -0.081 0.000 1.052 220 R CA -0.572 55.481 56.100 -0.078 0.000 0.902 220 R CB 0.646 30.907 30.300 -0.065 0.000 1.233 220 R HN -0.126 nan 8.270 nan 0.000 0.455 221 L N 2.025 123.193 121.223 -0.092 0.000 2.360 221 L HA 0.615 4.957 4.340 0.003 0.000 0.271 221 L C 0.871 177.690 176.870 -0.085 0.000 1.057 221 L CA -0.536 54.242 54.840 -0.103 0.000 0.803 221 L CB 1.702 43.681 42.059 -0.133 0.000 1.207 221 L HN 0.982 nan 8.230 nan 0.000 0.445 222 G N 0.387 109.133 108.800 -0.090 0.000 3.075 222 G HA2 0.670 4.632 3.960 0.003 0.000 0.156 222 G HA3 0.670 4.632 3.960 0.003 0.000 0.156 222 G C -0.246 174.619 174.900 -0.058 0.000 1.403 222 G CA 0.081 45.145 45.100 -0.060 0.000 1.033 222 G HN 0.756 nan 8.290 nan 0.000 0.589 223 G N -2.854 105.925 108.800 -0.036 0.000 3.211 223 G HA2 0.754 4.716 3.960 0.003 0.000 0.262 223 G HA3 0.754 4.716 3.960 0.003 0.000 0.262 223 G C -0.279 174.617 174.900 -0.008 0.000 1.352 223 G CA 0.015 45.111 45.100 -0.007 0.000 1.004 223 G HN 1.830 nan 8.290 nan 0.000 0.559 224 G N -2.730 106.099 108.800 0.048 0.000 2.356 224 G HA2 0.504 4.466 3.960 0.003 0.000 0.288 224 G HA3 0.504 4.466 3.960 0.003 0.000 0.288 224 G C -2.028 172.952 174.900 0.134 0.000 1.302 224 G CA 0.085 45.226 45.100 0.068 0.000 0.887 224 G HN 1.339 nan 8.290 nan 0.000 0.521 225 V N 0.341 120.343 119.914 0.147 0.000 2.588 225 V HA 0.736 4.858 4.120 0.003 0.000 0.304 225 V C -1.318 174.912 176.094 0.226 0.000 1.042 225 V CA -0.623 61.768 62.300 0.151 0.000 0.877 225 V CB 1.612 33.482 31.823 0.078 0.000 0.996 225 V HN 0.958 nan 8.190 nan 0.000 0.425 226 Y N 4.127 124.484 120.300 0.095 0.000 2.433 226 Y HA 0.602 5.154 4.550 0.003 0.000 0.337 226 Y C -0.274 175.639 175.900 0.022 0.000 1.026 226 Y CA -0.841 57.326 58.100 0.112 0.000 1.037 226 Y CB 1.669 40.315 38.460 0.310 0.000 1.245 226 Y HN 0.656 nan 8.280 nan 0.000 0.443 227 R N 5.216 125.312 120.500 -0.673 0.000 2.294 227 R HA 0.637 4.979 4.340 0.003 0.000 0.319 227 R C -1.439 174.593 176.300 -0.448 0.000 0.984 227 R CA -0.575 55.275 56.100 -0.417 0.000 0.861 227 R CB 0.922 31.044 30.300 -0.296 0.000 1.104 227 R HN 0.592 nan 8.270 nan 0.000 0.451 228 V N 6.550 126.378 119.914 -0.144 0.000 2.637 228 V HA 0.054 4.176 4.120 0.003 0.000 0.296 228 V C 0.926 176.986 176.094 -0.057 0.000 1.046 228 V CA -0.335 61.945 62.300 -0.033 0.000 1.066 228 V CB 0.670 32.484 31.823 -0.015 0.000 0.968 228 V HN 0.709 nan 8.190 nan 0.000 0.483 229 L N 5.212 126.425 121.223 -0.016 0.000 2.476 229 L HA 0.483 4.825 4.340 0.003 0.000 0.264 229 L C -2.364 174.498 176.870 -0.015 0.000 1.224 229 L CA -1.378 53.450 54.840 -0.020 0.000 0.821 229 L CB -0.223 41.837 42.059 0.003 0.000 1.101 229 L HN 0.350 nan 8.230 nan 0.000 0.488 230 P HA 0.016 nan 4.420 nan 0.000 0.269 230 P C -1.163 176.140 177.300 0.005 0.000 1.215 230 P CA -0.083 63.017 63.100 0.000 0.000 0.780 230 P CB 0.360 32.065 31.700 0.009 0.000 0.898 231 D N 2.144 122.551 120.400 0.012 0.000 2.342 231 D HA -0.013 4.629 4.640 0.003 0.000 0.260 231 D C 1.318 177.636 176.300 0.030 0.000 1.278 231 D CA 0.040 54.045 54.000 0.008 0.000 0.910 231 D CB 0.527 41.324 40.800 -0.005 0.000 1.079 231 D HN 0.334 nan 8.370 nan 0.000 0.496 232 R N 3.579 124.089 120.500 0.017 0.000 2.189 232 R HA -0.073 4.269 4.340 0.003 0.000 0.218 232 R C 1.341 177.668 176.300 0.045 0.000 1.074 232 R CA 0.461 56.579 56.100 0.030 0.000 0.991 232 R CB 0.007 30.313 30.300 0.010 0.000 0.883 232 R HN 0.323 nan 8.270 nan 0.000 0.457 233 I N 1.598 122.184 120.570 0.027 0.000 2.400 233 I HA -0.067 4.105 4.170 0.003 0.000 0.248 233 I C 2.445 178.619 176.117 0.095 0.000 1.109 233 I CA 0.928 62.251 61.300 0.038 0.000 1.425 233 I CB -1.206 36.794 38.000 -0.001 0.000 1.094 233 I HN 0.284 nan 8.210 nan 0.000 0.425 234 E N 1.025 121.269 120.200 0.074 0.000 2.058 234 E HA -0.217 4.135 4.350 0.003 0.000 0.194 234 E C 2.047 178.872 176.600 0.375 0.000 0.997 234 E CA 2.358 58.912 56.400 0.258 0.000 0.801 234 E CB 0.169 30.009 29.700 0.233 0.000 0.746 234 E HN 0.415 nan 8.360 nan 0.000 0.450 235 T N -0.227 114.477 114.554 0.250 0.000 2.607 235 T HA -0.183 4.169 4.350 0.003 0.000 0.267 235 T C 1.795 176.628 174.700 0.222 0.000 1.049 235 T CA 1.429 63.669 62.100 0.234 0.000 1.162 235 T CB -0.917 68.033 68.868 0.138 0.000 0.863 235 T HN 0.421 nan 8.240 nan 0.000 0.424 236 G N 1.014 109.911 108.800 0.161 0.000 2.469 236 G HA2 -0.273 3.689 3.960 0.003 0.000 0.220 236 G HA3 -0.273 3.689 3.960 0.003 0.000 0.220 236 G C 1.714 176.693 174.900 0.131 0.000 1.136 236 G CA 1.671 46.863 45.100 0.154 0.000 0.759 236 G HN 0.488 nan 8.290 nan 0.000 0.562 237 T N 0.884 115.507 114.554 0.115 0.000 2.708 237 T HA -0.062 4.290 4.350 0.003 0.000 0.266 237 T C 2.051 176.676 174.700 -0.125 0.000 1.037 237 T CA 1.180 63.265 62.100 -0.026 0.000 1.146 237 T CB -0.325 68.522 68.868 -0.034 0.000 0.865 237 T HN 0.256 nan 8.240 nan 0.000 0.435 238 F N 0.887 120.878 119.950 0.069 0.000 2.325 238 F HA 0.164 4.694 4.527 0.004 0.000 0.299 238 F C 2.077 177.887 175.800 0.016 0.000 1.090 238 F CA 0.417 58.437 58.000 0.033 0.000 1.392 238 F CB -0.607 38.421 39.000 0.047 0.000 1.053 238 F HN 0.072 nan 8.300 nan 0.000 0.521 239 L N -0.827 120.513 121.223 0.195 0.000 2.046 239 L HA -0.197 4.145 4.340 0.003 0.000 0.208 239 L C 2.341 179.224 176.870 0.023 0.000 1.077 239 L CA 0.757 55.665 54.840 0.113 0.000 0.747 239 L CB -0.661 41.473 42.059 0.124 0.000 0.896 239 L HN -0.025 nan 8.230 nan 0.000 0.432 240 V N -0.137 119.752 119.914 -0.042 0.000 2.358 240 V HA -0.253 3.869 4.120 0.003 0.000 0.246 240 V C 2.739 178.766 176.094 -0.111 0.000 1.047 240 V CA 1.597 63.797 62.300 -0.167 0.000 1.035 240 V CB -0.799 30.857 31.823 -0.278 0.000 0.658 240 V HN 0.472 nan 8.190 nan 0.000 0.452 241 A N 0.226 123.004 122.820 -0.071 0.000 1.917 241 A HA -0.227 4.095 4.320 0.003 0.000 0.219 241 A C 2.417 179.992 177.584 -0.015 0.000 1.182 241 A CA 2.452 54.460 52.037 -0.049 0.000 0.633 241 A CB -0.805 18.184 19.000 -0.019 0.000 0.819 241 A HN 0.589 nan 8.150 nan 0.000 0.448 242 A N -0.463 122.367 122.820 0.016 0.000 1.898 242 A HA 0.231 4.553 4.320 0.003 0.000 0.216 242 A C 2.516 180.091 177.584 -0.015 0.000 1.181 242 A CA 1.977 54.021 52.037 0.012 0.000 0.620 242 A CB -1.018 18.002 19.000 0.033 0.000 0.819 242 A HN 1.051 nan 8.150 nan 0.000 0.442 243 A N 0.942 123.743 122.820 -0.032 0.000 1.845 243 A HA -0.132 4.190 4.320 0.003 0.000 0.215 243 A C 2.147 179.699 177.584 -0.054 0.000 1.195 243 A CA 1.707 53.716 52.037 -0.046 0.000 0.616 243 A CB -0.869 18.078 19.000 -0.088 0.000 0.832 243 A HN 0.985 nan 8.150 nan 0.000 0.443 244 I N -1.648 118.877 120.570 -0.075 0.000 2.614 244 I HA -0.076 4.096 4.170 0.003 0.000 0.258 244 I C 1.745 177.834 176.117 -0.047 0.000 1.189 244 I CA 1.830 63.088 61.300 -0.069 0.000 1.462 244 I CB -0.326 37.623 38.000 -0.085 0.000 1.092 244 I HN 0.334 nan 8.210 nan 0.000 0.442 245 S N 0.710 116.386 115.700 -0.039 0.000 2.572 245 S HA 0.279 4.751 4.470 0.003 0.000 0.228 245 S C 0.844 175.430 174.600 -0.023 0.000 0.963 245 S CA -0.621 57.561 58.200 -0.030 0.000 0.939 245 S CB -0.287 62.898 63.200 -0.027 0.000 0.804 245 S HN 0.589 nan 8.310 nan 0.000 0.480 246 R N 0.107 120.594 120.500 -0.022 0.000 3.516 246 R HA -0.136 4.206 4.340 0.003 0.000 0.271 246 R C 0.686 176.973 176.300 -0.021 0.000 1.098 246 R CA 0.454 56.545 56.100 -0.015 0.000 0.732 246 R CB -2.441 27.854 30.300 -0.009 0.000 1.152 246 R HN 0.633 nan 8.270 nan 0.000 0.455 247 G N 0.349 109.134 108.800 -0.026 0.000 2.857 247 G HA2 0.595 4.558 3.960 0.003 0.000 0.217 247 G HA3 0.595 4.558 3.960 0.003 0.000 0.217 247 G C -0.943 173.927 174.900 -0.050 0.000 1.357 247 G CA -0.565 44.515 45.100 -0.034 0.000 1.033 247 G HN 0.049 nan 8.290 nan 0.000 0.571 248 K N -0.552 119.820 120.400 -0.046 0.000 2.553 248 K HA 0.557 4.879 4.320 0.003 0.000 0.250 248 K C -1.957 174.628 176.600 -0.026 0.000 0.953 248 K CA -0.603 55.651 56.287 -0.055 0.000 0.800 248 K CB 2.129 34.574 32.500 -0.092 0.000 1.243 248 K HN 0.399 nan 8.250 nan 0.000 0.435 249 I N 4.949 125.518 120.570 -0.002 0.000 2.608 249 I HA 0.428 4.600 4.170 0.003 0.000 0.295 249 I C -1.437 174.690 176.117 0.018 0.000 1.049 249 I CA -1.333 59.974 61.300 0.011 0.000 1.063 249 I CB 1.505 39.537 38.000 0.052 0.000 1.248 249 I HN 0.593 nan 8.210 nan 0.000 0.424 250 I N 6.675 127.240 120.570 -0.008 0.000 2.354 250 I HA 0.292 4.464 4.170 0.003 0.000 0.292 250 I C -0.580 175.546 176.117 0.015 0.000 0.989 250 I CA -0.173 61.133 61.300 0.010 0.000 1.188 250 I CB 1.272 39.226 38.000 -0.076 0.000 1.342 250 I HN 0.425 nan 8.210 nan 0.000 0.457 251 C N 6.274 125.623 119.300 0.082 0.000 2.255 251 C HA 0.584 5.046 4.460 0.003 0.000 0.326 251 C C 0.720 175.771 174.990 0.102 0.000 1.258 251 C CA -0.768 58.285 59.018 0.058 0.000 1.676 251 C CB -0.413 27.385 27.740 0.095 0.000 2.314 251 C HN 0.716 nan 8.230 nan 0.000 0.509 252 R N 1.684 122.209 120.500 0.043 0.000 2.674 252 R HA 0.379 4.721 4.340 0.003 0.000 0.266 252 R C 0.480 176.810 176.300 0.049 0.000 1.016 252 R CA -0.530 55.612 56.100 0.071 0.000 1.062 252 R CB 0.372 30.687 30.300 0.026 0.000 1.142 252 R HN 0.829 nan 8.270 nan 0.000 0.517 253 N N -0.822 117.914 118.700 0.060 0.000 2.740 253 N HA -0.233 4.509 4.740 0.003 0.000 0.248 253 N C -1.010 174.521 175.510 0.035 0.000 1.062 253 N CA 0.256 53.328 53.050 0.036 0.000 0.704 253 N CB -0.538 37.956 38.487 0.011 0.000 0.968 253 N HN 0.625 nan 8.380 nan 0.000 0.547 254 A N 0.500 123.352 122.820 0.053 0.000 2.256 254 A HA 0.495 4.817 4.320 0.003 0.000 0.318 254 A C 0.260 177.851 177.584 0.012 0.000 1.103 254 A CA -0.255 51.806 52.037 0.040 0.000 0.860 254 A CB 1.108 20.145 19.000 0.061 0.000 1.182 254 A HN 0.315 nan 8.150 nan 0.000 0.501 255 Q N 0.574 120.377 119.800 0.005 0.000 2.607 255 Q HA 0.302 4.644 4.340 0.003 0.000 0.247 255 Q C -2.121 173.871 176.000 -0.014 0.000 1.033 255 Q CA -1.901 53.895 55.803 -0.012 0.000 0.769 255 Q CB 1.113 29.847 28.738 -0.007 0.000 1.169 255 Q HN 0.437 nan 8.270 nan 0.000 0.508 256 P HA -0.228 nan 4.420 nan 0.000 0.217 256 P C 0.542 177.833 177.300 -0.014 0.000 1.151 256 P CA 1.546 64.621 63.100 -0.042 0.000 0.849 256 P CB 0.209 31.845 31.700 -0.107 0.000 0.787 257 D N -1.589 118.804 120.400 -0.012 0.000 2.371 257 D HA -0.105 4.537 4.640 0.003 0.000 0.221 257 D C 1.168 177.503 176.300 0.058 0.000 0.986 257 D CA 1.270 55.278 54.000 0.013 0.000 0.899 257 D CB -1.554 39.251 40.800 0.007 0.000 0.902 257 D HN 0.218 nan 8.370 nan 0.000 0.530 258 T N -2.423 112.164 114.554 0.055 0.000 3.129 258 T HA 0.179 4.531 4.350 0.003 0.000 0.251 258 T C 1.190 175.964 174.700 0.123 0.000 1.117 258 T CA -0.128 62.028 62.100 0.093 0.000 1.034 258 T CB -0.292 68.586 68.868 0.017 0.000 0.968 258 T HN 0.196 nan 8.240 nan 0.000 0.526 259 L N 0.404 121.672 121.223 0.074 0.000 3.366 259 L HA 0.343 4.685 4.340 0.003 0.000 0.304 259 L C 0.813 177.699 176.870 0.027 0.000 1.292 259 L CA -0.291 54.575 54.840 0.044 0.000 1.012 259 L CB 0.610 42.694 42.059 0.041 0.000 1.414 259 L HN -0.037 nan 8.230 nan 0.000 0.603 260 D N 1.599 122.011 120.400 0.020 0.000 2.160 260 D HA -0.271 4.371 4.640 0.003 0.000 0.189 260 D C 2.130 178.437 176.300 0.010 0.000 1.003 260 D CA 1.983 55.986 54.000 0.005 0.000 0.846 260 D CB 0.148 40.938 40.800 -0.017 0.000 0.949 260 D HN 0.413 nan 8.370 nan 0.000 0.446 261 A N 0.519 123.331 122.820 -0.012 0.000 1.908 261 A HA -0.144 4.178 4.320 0.003 0.000 0.218 261 A C 2.616 180.236 177.584 0.061 0.000 1.181 261 A CA 1.546 53.594 52.037 0.019 0.000 0.627 261 A CB -0.740 18.263 19.000 0.006 0.000 0.818 261 A HN 0.177 nan 8.150 nan 0.000 0.445 262 V N 0.156 120.064 119.914 -0.011 0.000 2.379 262 V HA -0.200 3.922 4.120 0.003 0.000 0.245 262 V C 2.543 178.755 176.094 0.197 0.000 1.044 262 V CA 1.707 64.031 62.300 0.041 0.000 1.036 262 V CB -0.664 31.140 31.823 -0.030 0.000 0.664 262 V HN 0.557 nan 8.190 nan 0.000 0.453 263 L N 0.066 121.364 121.223 0.127 0.000 2.083 263 L HA -0.157 4.185 4.340 0.003 0.000 0.209 263 L C 2.729 179.677 176.870 0.129 0.000 1.083 263 L CA 1.656 56.573 54.840 0.129 0.000 0.752 263 L CB -0.887 41.219 42.059 0.078 0.000 0.899 263 L HN 0.385 nan 8.230 nan 0.000 0.433 264 A N -0.158 122.725 122.820 0.104 0.000 1.898 264 A HA -0.154 4.168 4.320 0.003 0.000 0.216 264 A C 2.320 179.977 177.584 0.120 0.000 1.181 264 A CA 1.209 53.300 52.037 0.091 0.000 0.620 264 A CB -0.241 18.796 19.000 0.062 0.000 0.819 264 A HN 0.186 nan 8.150 nan 0.000 0.442 265 K N -0.066 120.427 120.400 0.155 0.000 2.097 265 K HA -0.037 4.285 4.320 0.003 0.000 0.206 265 K C 1.856 178.646 176.600 0.316 0.000 1.049 265 K CA 1.036 57.439 56.287 0.193 0.000 0.933 265 K CB -0.617 31.942 32.500 0.099 0.000 0.717 265 K HN 0.550 nan 8.250 nan 0.000 0.442 266 L N 0.393 121.834 121.223 0.364 0.000 2.093 266 L HA -0.134 4.208 4.340 0.003 0.000 0.208 266 L C 2.613 179.582 176.870 0.166 0.000 1.085 266 L CA 1.103 56.112 54.840 0.281 0.000 0.755 266 L CB -0.316 41.891 42.059 0.245 0.000 0.904 266 L HN 0.143 nan 8.230 nan 0.000 0.435 267 R N 0.044 120.628 120.500 0.140 0.000 2.073 267 R HA -0.169 4.173 4.340 0.003 0.000 0.234 267 R C 1.859 178.213 176.300 0.090 0.000 1.134 267 R CA 1.622 57.783 56.100 0.101 0.000 0.952 267 R CB -0.493 29.857 30.300 0.083 0.000 0.850 267 R HN 0.332 nan 8.270 nan 0.000 0.433 268 D N 0.588 121.046 120.400 0.098 0.000 2.228 268 D HA -0.151 4.492 4.640 0.003 0.000 0.203 268 D C 1.426 177.770 176.300 0.074 0.000 0.988 268 D CA 1.451 55.498 54.000 0.078 0.000 0.864 268 D CB -0.113 40.732 40.800 0.074 0.000 0.928 268 D HN 0.301 nan 8.370 nan 0.000 0.469 269 A N -0.760 122.118 122.820 0.096 0.000 2.251 269 A HA 0.443 4.765 4.320 0.003 0.000 0.209 269 A C 1.798 179.415 177.584 0.055 0.000 1.187 269 A CA 1.059 53.140 52.037 0.074 0.000 0.823 269 A CB 0.005 19.060 19.000 0.091 0.000 0.846 269 A HN 0.260 nan 8.150 nan 0.000 0.486 270 G N -2.117 106.720 108.800 0.062 0.000 2.179 270 G HA2 0.127 4.089 3.960 0.003 0.000 0.220 270 G HA3 0.127 4.089 3.960 0.003 0.000 0.220 270 G C 0.445 175.392 174.900 0.079 0.000 0.990 270 G CA 0.109 45.244 45.100 0.058 0.000 0.646 270 G HN 1.525 nan 8.290 nan 0.000 0.517 271 A N 0.234 123.105 122.820 0.085 0.000 2.462 271 A HA 0.516 4.838 4.320 0.003 0.000 0.243 271 A C 0.209 177.864 177.584 0.119 0.000 1.076 271 A CA 0.838 52.935 52.037 0.100 0.000 0.773 271 A CB 0.447 19.501 19.000 0.089 0.000 1.010 271 A HN 0.662 nan 8.150 nan 0.000 0.493 272 D N 2.003 122.497 120.400 0.157 0.000 2.412 272 D HA 0.460 5.102 4.640 0.003 0.000 0.224 272 D C -0.619 175.770 176.300 0.149 0.000 1.093 272 D CA -0.049 54.056 54.000 0.176 0.000 0.850 272 D CB 0.094 41.086 40.800 0.319 0.000 1.046 272 D HN 0.344 nan 8.370 nan 0.000 0.507 273 I N 3.018 123.665 120.570 0.128 0.000 2.404 273 I HA 0.349 4.521 4.170 0.003 0.000 0.293 273 I C 0.187 176.382 176.117 0.130 0.000 0.992 273 I CA -0.776 60.599 61.300 0.126 0.000 1.149 273 I CB 1.749 39.812 38.000 0.103 0.000 1.315 273 I HN 0.286 nan 8.210 nan 0.000 0.446 274 E N 5.227 125.538 120.200 0.184 0.000 2.288 274 E HA 0.628 4.980 4.350 0.003 0.000 0.268 274 E C -1.309 175.317 176.600 0.044 0.000 0.885 274 E CA -0.819 55.698 56.400 0.195 0.000 0.767 274 E CB 3.357 33.298 29.700 0.401 0.000 1.220 274 E HN 0.416 nan 8.360 nan 0.000 0.427 275 V N -1.283 118.411 119.914 -0.366 0.000 2.876 275 V HA 0.956 5.078 4.120 0.003 0.000 0.312 275 V C -0.115 175.186 176.094 -1.323 0.000 1.085 275 V CA -0.449 61.369 62.300 -0.803 0.000 0.945 275 V CB 1.586 33.183 31.823 -0.378 0.000 1.017 275 V HN 0.755 nan 8.190 nan 0.000 0.428 276 G N 0.941 108.610 108.800 -1.884 0.000 3.209 276 G HA2 0.463 4.425 3.960 0.003 0.000 0.236 276 G HA3 0.463 4.425 3.960 0.003 0.000 0.236 276 G C 0.129 174.622 174.900 -0.679 0.000 1.329 276 G CA 0.094 44.397 45.100 -1.328 0.000 1.015 276 G HN 0.763 nan 8.290 nan 0.000 0.571 277 E N -0.201 119.802 120.200 -0.329 0.000 2.085 277 E HA -0.142 4.210 4.350 0.003 0.000 0.194 277 E C 0.725 177.244 176.600 -0.136 0.000 0.994 277 E CA 1.789 58.094 56.400 -0.157 0.000 0.801 277 E CB 0.169 29.841 29.700 -0.045 0.000 0.743 277 E HN 0.554 nan 8.360 nan 0.000 0.453 278 D N -1.680 118.664 120.400 -0.093 0.000 2.673 278 D HA 0.008 4.650 4.640 0.003 0.000 0.278 278 D C -0.034 176.334 176.300 0.113 0.000 1.393 278 D CA -0.418 53.587 54.000 0.008 0.000 0.805 278 D CB -0.869 39.964 40.800 0.056 0.000 1.110 278 D HN 0.193 nan 8.370 nan 0.000 0.476 279 W N 0.226 121.528 121.300 0.003 0.000 3.127 279 W HA 0.674 5.336 4.660 0.003 0.000 0.330 279 W C -2.016 174.510 176.519 0.012 0.000 1.187 279 W CA -1.367 55.979 57.345 0.003 0.000 1.198 279 W CB 0.498 29.956 29.460 -0.003 0.000 1.408 279 W HN -0.324 nan 8.180 nan 0.000 0.529 280 I N 3.312 124.081 120.570 0.331 0.000 2.498 280 I HA 0.282 4.454 4.170 0.003 0.000 0.290 280 I C 0.213 176.573 176.117 0.404 0.000 1.032 280 I CA -0.649 60.819 61.300 0.280 0.000 1.073 280 I CB 2.390 40.465 38.000 0.125 0.000 1.251 280 I HN 0.434 nan 8.210 nan 0.000 0.426 281 S N 6.967 122.950 115.700 0.473 0.000 2.549 281 S HA 0.825 5.297 4.470 0.003 0.000 0.297 281 S C -0.848 173.859 174.600 0.178 0.000 1.115 281 S CA -0.753 57.605 58.200 0.262 0.000 1.059 281 S CB 2.135 65.453 63.200 0.197 0.000 1.046 281 S HN 0.631 nan 8.310 nan 0.000 0.506 282 L N 1.992 123.278 121.223 0.106 0.000 2.409 282 L HA 0.667 5.009 4.340 0.003 0.000 0.272 282 L C -1.948 174.933 176.870 0.018 0.000 0.980 282 L CA -0.294 54.592 54.840 0.078 0.000 0.826 282 L CB 1.886 43.991 42.059 0.076 0.000 1.268 282 L HN 0.833 nan 8.230 nan 0.000 0.407 283 D N 4.788 125.182 120.400 -0.010 0.000 2.788 283 D HA 0.299 4.941 4.640 0.003 0.000 0.247 283 D C 0.270 176.509 176.300 -0.103 0.000 1.236 283 D CA -0.449 53.456 54.000 -0.157 0.000 0.898 283 D CB 1.787 42.374 40.800 -0.355 0.000 1.401 283 D HN 0.450 nan 8.370 nan 0.000 0.549 284 M N 1.603 121.157 119.600 -0.076 0.000 2.541 284 M HA 0.033 4.515 4.480 0.003 0.000 0.252 284 M C 0.158 176.533 176.300 0.125 0.000 1.125 284 M CA 0.324 55.648 55.300 0.041 0.000 1.091 284 M CB -0.693 31.916 32.600 0.015 0.000 1.420 284 M HN 0.524 nan 8.290 nan 0.000 0.486 285 H N 0.148 119.225 119.070 0.011 0.000 2.692 285 H HA -0.169 4.389 4.556 0.003 0.000 0.316 285 H C 1.293 176.623 175.328 0.004 0.000 1.176 285 H CA 0.573 56.625 56.048 0.008 0.000 1.142 285 H CB -2.149 27.619 29.762 0.011 0.000 1.475 285 H HN 0.661 nan 8.280 nan 0.000 0.423 286 G N -0.074 108.756 108.800 0.051 0.000 2.189 286 G HA2 -0.348 3.614 3.960 0.003 0.000 0.267 286 G HA3 -0.348 3.614 3.960 0.003 0.000 0.267 286 G C 0.347 175.266 174.900 0.032 0.000 0.975 286 G CA 0.917 46.037 45.100 0.033 0.000 0.644 286 G HN 0.528 nan 8.290 nan 0.000 0.537 287 K N 0.157 120.585 120.400 0.046 0.000 2.174 287 K HA 0.438 4.760 4.320 0.003 0.000 0.275 287 K C 0.746 177.357 176.600 0.017 0.000 1.015 287 K CA -0.829 55.479 56.287 0.035 0.000 0.933 287 K CB 1.184 33.715 32.500 0.051 0.000 1.025 287 K HN 0.256 nan 8.250 nan 0.000 0.463 288 R N 3.192 123.696 120.500 0.007 0.000 2.537 288 R HA 0.077 4.419 4.340 0.003 0.000 0.280 288 R C -2.124 174.175 176.300 -0.002 0.000 1.058 288 R CA -1.118 54.979 56.100 -0.005 0.000 1.057 288 R CB 0.349 30.643 30.300 -0.011 0.000 0.973 288 R HN 0.349 nan 8.270 nan 0.000 0.438 289 P HA 0.082 nan 4.420 nan 0.000 0.274 289 P C -1.168 176.127 177.300 -0.008 0.000 1.246 289 P CA -0.135 62.962 63.100 -0.005 0.000 0.795 289 P CB 0.638 32.325 31.700 -0.022 0.000 1.006 290 K N 0.423 120.824 120.400 0.003 0.000 2.118 290 K HA 0.528 4.850 4.320 0.003 0.000 0.267 290 K C 0.149 176.742 176.600 -0.013 0.000 0.991 290 K CA -0.676 55.608 56.287 -0.004 0.000 0.916 290 K CB 1.170 33.674 32.500 0.007 0.000 1.041 290 K HN 0.536 nan 8.250 nan 0.000 0.455 291 A N 1.874 124.669 122.820 -0.042 0.000 2.498 291 A HA 0.338 4.660 4.320 0.003 0.000 0.239 291 A C 0.251 177.798 177.584 -0.063 0.000 1.068 291 A CA -0.330 51.660 52.037 -0.079 0.000 0.766 291 A CB -0.033 18.877 19.000 -0.149 0.000 1.003 291 A HN 0.506 nan 8.150 nan 0.000 0.497 292 V N 0.460 120.339 119.914 -0.058 0.000 3.074 292 V HA 0.620 4.742 4.120 0.003 0.000 0.314 292 V C -0.460 175.582 176.094 -0.085 0.000 1.117 292 V CA -1.296 60.984 62.300 -0.033 0.000 1.014 292 V CB 1.812 33.660 31.823 0.042 0.000 1.057 292 V HN 0.889 nan 8.190 nan 0.000 0.438 293 N N 0.280 118.951 118.700 -0.047 0.000 2.399 293 N HA 0.757 5.499 4.740 0.003 0.000 0.295 293 N C -1.323 174.121 175.510 -0.110 0.000 1.048 293 N CA -0.640 52.399 53.050 -0.018 0.000 0.886 293 N CB 2.246 40.805 38.487 0.121 0.000 1.185 293 N HN 0.610 nan 8.380 nan 0.000 0.487 294 V N 1.651 121.465 119.914 -0.167 0.000 2.709 294 V HA 0.445 4.567 4.120 0.003 0.000 0.308 294 V C -0.381 175.575 176.094 -0.230 0.000 1.062 294 V CA -0.738 61.334 62.300 -0.381 0.000 0.901 294 V CB 1.856 33.221 31.823 -0.762 0.000 1.003 294 V HN 0.651 nan 8.190 nan 0.000 0.425 295 R N 2.547 122.924 120.500 -0.205 0.000 2.371 295 R HA 0.520 4.862 4.340 0.003 0.000 0.312 295 R C 0.058 176.354 176.300 -0.008 0.000 0.980 295 R CA -0.268 55.791 56.100 -0.067 0.000 0.867 295 R CB 1.407 31.694 30.300 -0.023 0.000 1.163 295 R HN 0.935 nan 8.270 nan 0.000 0.492 296 T N 1.156 115.743 114.554 0.055 0.000 2.918 296 T HA 0.682 5.034 4.350 0.003 0.000 0.302 296 T C 0.052 174.810 174.700 0.097 0.000 1.045 296 T CA -0.189 62.014 62.100 0.172 0.000 1.114 296 T CB 1.577 70.567 68.868 0.203 0.000 0.965 296 T HN 0.651 nan 8.240 nan 0.000 0.540 297 A N 3.317 126.195 122.820 0.096 0.000 2.564 297 A HA 0.773 5.095 4.320 0.003 0.000 0.291 297 A C -3.121 174.485 177.584 0.037 0.000 1.102 297 A CA -1.736 50.324 52.037 0.038 0.000 0.660 297 A CB 0.359 19.373 19.000 0.023 0.000 1.283 297 A HN 0.656 nan 8.150 nan 0.000 0.430 298 P HA 0.239 nan 4.420 nan 0.000 0.270 298 P C -0.419 176.919 177.300 0.064 0.000 1.223 298 P CA 0.335 63.459 63.100 0.040 0.000 0.785 298 P CB 0.136 31.850 31.700 0.023 0.000 0.923 299 H N 3.627 122.698 119.070 0.001 0.000 2.972 299 H HA 0.035 4.593 4.556 0.003 0.000 0.343 299 H C -1.387 173.942 175.328 0.002 0.000 1.054 299 H CA -0.655 55.392 56.048 -0.002 0.000 1.412 299 H CB 0.316 30.077 29.762 -0.001 0.000 1.385 299 H HN 0.293 nan 8.280 nan 0.000 0.600 300 P HA 0.174 nan 4.420 nan 0.000 0.257 300 P C -0.408 176.674 177.300 -0.363 0.000 1.325 300 P CA 0.155 62.724 63.100 -0.886 0.000 0.850 300 P CB 0.139 31.488 31.700 -0.585 0.000 1.324 301 A N 0.155 122.882 122.820 -0.156 0.000 2.251 301 A HA 0.324 4.646 4.320 0.003 0.000 0.278 301 A C -0.236 177.360 177.584 0.021 0.000 1.206 301 A CA -0.477 51.540 52.037 -0.033 0.000 0.822 301 A CB -0.507 18.499 19.000 0.010 0.000 1.187 301 A HN 0.135 nan 8.150 nan 0.000 0.504 302 F N 1.404 121.314 119.950 -0.066 0.000 2.538 302 F HA 0.368 4.897 4.527 0.003 0.000 0.371 302 F C -1.845 173.938 175.800 -0.028 0.000 1.087 302 F CA -1.694 56.260 58.000 -0.078 0.000 1.250 302 F CB 0.708 39.627 39.000 -0.135 0.000 1.110 302 F HN 0.231 nan 8.300 nan 0.000 0.570 303 P HA 0.060 nan 4.420 nan 0.000 0.284 303 P C 0.202 177.545 177.300 0.071 0.000 1.253 303 P CA -0.277 62.769 63.100 -0.090 0.000 0.800 303 P CB 1.553 33.170 31.700 -0.138 0.000 0.961 304 T N 0.513 115.164 114.554 0.161 0.000 2.881 304 T HA -0.125 4.227 4.350 0.003 0.000 0.270 304 T C 0.844 175.667 174.700 0.205 0.000 1.068 304 T CA 1.605 63.842 62.100 0.229 0.000 1.131 304 T CB -0.728 68.288 68.868 0.246 0.000 0.871 304 T HN 0.281 nan 8.240 nan 0.000 0.479 305 D N 0.462 120.945 120.400 0.139 0.000 2.371 305 D HA 0.058 4.700 4.640 0.003 0.000 0.221 305 D C 1.347 177.706 176.300 0.098 0.000 0.986 305 D CA 0.490 54.552 54.000 0.103 0.000 0.899 305 D CB 0.039 40.882 40.800 0.073 0.000 0.902 305 D HN 0.408 nan 8.370 nan 0.000 0.530 306 M N -0.107 119.551 119.600 0.097 0.000 2.333 306 M HA 0.066 4.548 4.480 0.003 0.000 0.257 306 M C 1.646 178.236 176.300 0.483 0.000 1.078 306 M CA 0.156 55.574 55.300 0.198 0.000 1.005 306 M CB 0.418 32.975 32.600 -0.072 0.000 1.444 306 M HN -0.014 nan 8.290 nan 0.000 0.496 307 Q N 1.018 121.076 119.800 0.429 0.000 2.049 307 Q HA -0.053 4.289 4.340 0.003 0.000 0.198 307 Q C 1.773 177.944 176.000 0.285 0.000 0.971 307 Q CA 1.880 57.941 55.803 0.431 0.000 0.833 307 Q CB 0.087 29.038 28.738 0.356 0.000 0.896 307 Q HN 0.435 nan 8.270 nan 0.000 0.434 308 A N 0.746 123.595 122.820 0.048 0.000 1.908 308 A HA -0.254 4.068 4.320 0.003 0.000 0.218 308 A C 2.020 179.535 177.584 -0.114 0.000 1.181 308 A CA 1.837 53.627 52.037 -0.413 0.000 0.627 308 A CB -0.507 18.049 19.000 -0.740 0.000 0.818 308 A HN 0.489 nan 8.150 nan 0.000 0.445 309 Q N -1.429 118.394 119.800 0.038 0.000 2.079 309 Q HA -0.030 4.312 4.340 0.003 0.000 0.200 309 Q C 1.677 177.718 176.000 0.067 0.000 0.974 309 Q CA 1.628 57.454 55.803 0.039 0.000 0.840 309 Q CB -0.372 28.403 28.738 0.063 0.000 0.898 309 Q HN 0.699 nan 8.270 nan 0.000 0.430 310 F N 0.131 120.152 119.950 0.118 0.000 2.367 310 F HA -0.097 4.431 4.527 0.003 0.000 0.298 310 F C 2.181 178.011 175.800 0.051 0.000 1.094 310 F CA 1.091 59.156 58.000 0.109 0.000 1.409 310 F CB -0.311 38.796 39.000 0.177 0.000 1.064 310 F HN 0.014 nan 8.300 nan 0.000 0.528 311 T N 1.000 115.713 114.554 0.265 0.000 2.607 311 T HA -0.272 4.080 4.350 0.003 0.000 0.267 311 T C 1.999 176.766 174.700 0.112 0.000 1.049 311 T CA 1.699 63.914 62.100 0.191 0.000 1.162 311 T CB -0.766 68.314 68.868 0.354 0.000 0.863 311 T HN 0.159 nan 8.240 nan 0.000 0.424 312 L N 1.231 122.512 121.223 0.097 0.000 2.021 312 L HA -0.087 4.255 4.340 0.003 0.000 0.215 312 L C 2.282 179.141 176.870 -0.019 0.000 1.074 312 L CA 1.662 56.522 54.840 0.032 0.000 0.760 312 L CB -1.084 40.975 42.059 0.000 0.000 0.889 312 L HN 0.314 nan 8.230 nan 0.000 0.433 313 L N -0.284 120.904 121.223 -0.057 0.000 1.990 313 L HA -0.297 4.045 4.340 0.003 0.000 0.213 313 L C 2.323 179.162 176.870 -0.051 0.000 1.072 313 L CA 2.055 56.836 54.840 -0.099 0.000 0.755 313 L CB -0.658 41.266 42.059 -0.226 0.000 0.889 313 L HN 0.415 nan 8.230 nan 0.000 0.432 314 N N -0.102 118.587 118.700 -0.019 0.000 2.149 314 N HA -0.183 4.559 4.740 0.003 0.000 0.188 314 N C 1.787 177.256 175.510 -0.068 0.000 1.019 314 N CA 1.513 54.529 53.050 -0.057 0.000 0.857 314 N CB -0.415 38.020 38.487 -0.086 0.000 0.997 314 N HN 0.403 nan 8.380 nan 0.000 0.426 315 L N 0.484 121.682 121.223 -0.041 0.000 2.465 315 L HA -0.019 4.324 4.340 0.003 0.000 0.224 315 L C 1.461 178.300 176.870 -0.052 0.000 1.145 315 L CA 0.443 55.261 54.840 -0.037 0.000 0.834 315 L CB 0.015 42.071 42.059 -0.005 0.000 0.944 315 L HN 0.080 nan 8.230 nan 0.000 0.451 316 V N -4.994 114.888 119.914 -0.054 0.000 3.380 316 V HA 0.499 4.621 4.120 0.003 0.000 0.307 316 V C 0.859 176.920 176.094 -0.055 0.000 1.434 316 V CA -0.200 62.065 62.300 -0.058 0.000 1.075 316 V CB -0.218 31.574 31.823 -0.051 0.000 0.954 316 V HN 0.094 nan 8.190 nan 0.000 0.444 317 A N 0.844 123.629 122.820 -0.057 0.000 2.259 317 A HA 0.679 5.001 4.320 0.003 0.000 0.278 317 A C 0.086 177.642 177.584 -0.048 0.000 1.107 317 A CA -0.322 51.686 52.037 -0.050 0.000 0.828 317 A CB 0.629 19.599 19.000 -0.052 0.000 1.111 317 A HN 0.515 nan 8.150 nan 0.000 0.498 318 E N -0.441 119.737 120.200 -0.036 0.000 2.223 318 E HA 0.480 4.832 4.350 0.003 0.000 0.282 318 E C 0.473 177.051 176.600 -0.037 0.000 1.046 318 E CA 1.313 57.696 56.400 -0.029 0.000 0.857 318 E CB 0.056 29.746 29.700 -0.016 0.000 1.055 318 E HN 1.612 nan 8.360 nan 0.000 0.409 319 G N 2.734 111.513 108.800 -0.034 0.000 2.466 319 G HA2 -0.103 3.859 3.960 0.003 0.000 0.316 319 G HA3 -0.103 3.859 3.960 0.003 0.000 0.316 319 G C -0.668 174.175 174.900 -0.095 0.000 1.270 319 G CA -0.452 44.624 45.100 -0.041 0.000 0.982 319 G HN 0.617 nan 8.290 nan 0.000 0.506 320 T N 0.375 114.836 114.554 -0.155 0.000 2.829 320 T HA 0.784 5.136 4.350 0.003 0.000 0.280 320 T C 0.491 174.795 174.700 -0.660 0.000 0.999 320 T CA 0.481 62.361 62.100 -0.366 0.000 0.983 320 T CB 1.581 70.318 68.868 -0.218 0.000 0.968 320 T HN 1.797 nan 8.240 nan 0.000 0.446 321 G N 1.422 109.635 108.800 -0.978 0.000 2.694 321 G HA2 0.750 4.712 3.960 0.003 0.000 0.290 321 G HA3 0.750 4.712 3.960 0.003 0.000 0.290 321 G C -1.887 172.163 174.900 -1.418 0.000 1.386 321 G CA -0.756 43.645 45.100 -1.164 0.000 0.872 321 G HN 0.522 nan 8.290 nan 0.000 0.475 322 F N -0.102 119.789 119.950 -0.098 0.000 2.551 322 F HA 0.627 5.155 4.527 0.003 0.000 0.316 322 F C -0.043 175.700 175.800 -0.094 0.000 1.089 322 F CA -1.229 56.708 58.000 -0.106 0.000 0.915 322 F CB 2.279 41.223 39.000 -0.093 0.000 1.186 322 F HN 0.077 nan 8.300 nan 0.000 0.456 323 I N 2.256 122.852 120.570 0.043 0.000 2.382 323 I HA 0.308 4.480 4.170 0.003 0.000 0.286 323 I C -0.562 175.626 176.117 0.117 0.000 1.002 323 I CA -0.288 61.032 61.300 0.034 0.000 1.135 323 I CB 1.516 39.551 38.000 0.059 0.000 1.288 323 I HN 0.573 nan 8.210 nan 0.000 0.448 324 T N 4.877 119.501 114.554 0.117 0.000 2.795 324 T HA 0.298 4.650 4.350 0.003 0.000 0.282 324 T C -0.068 174.744 174.700 0.187 0.000 0.980 324 T CA -0.410 61.792 62.100 0.170 0.000 1.012 324 T CB 1.709 70.631 68.868 0.089 0.000 0.936 324 T HN 0.428 nan 8.240 nan 0.000 0.457 325 E N 1.870 122.221 120.200 0.252 0.000 2.114 325 E HA 0.360 4.712 4.350 0.003 0.000 0.266 325 E C 0.803 177.434 176.600 0.052 0.000 0.896 325 E CA -0.621 55.857 56.400 0.130 0.000 0.750 325 E CB 0.713 30.404 29.700 -0.017 0.000 1.121 325 E HN 0.653 nan 8.360 nan 0.000 0.413 326 T N 0.319 114.890 114.554 0.029 0.000 3.054 326 T HA 0.147 4.499 4.350 0.003 0.000 0.255 326 T C 1.023 175.684 174.700 -0.066 0.000 1.035 326 T CA 0.439 62.535 62.100 -0.006 0.000 0.941 326 T CB 0.186 69.055 68.868 0.001 0.000 1.026 326 T HN 0.179 nan 8.240 nan 0.000 0.533 327 V N -0.354 119.498 119.914 -0.104 0.000 2.690 327 V HA 0.437 4.559 4.120 0.003 0.000 0.240 327 V C 0.088 175.891 176.094 -0.485 0.000 1.078 327 V CA 0.331 62.447 62.300 -0.306 0.000 1.102 327 V CB -0.134 31.478 31.823 -0.352 0.000 0.800 327 V HN 0.395 nan 8.190 nan 0.000 0.479 328 F N 1.278 121.202 119.950 -0.043 0.000 2.482 328 F HA 0.393 4.922 4.527 0.003 0.000 0.331 328 F C 1.359 177.092 175.800 -0.111 0.000 1.115 328 F CA -1.382 56.578 58.000 -0.067 0.000 0.955 328 F CB 1.389 40.348 39.000 -0.069 0.000 1.136 328 F HN 0.090 nan 8.300 nan 0.000 0.452 329 E N 0.630 120.898 120.200 0.113 0.000 2.274 329 E HA -0.152 4.200 4.350 0.003 0.000 0.194 329 E C 0.060 176.635 176.600 -0.041 0.000 0.996 329 E CA 1.057 57.467 56.400 0.016 0.000 0.840 329 E CB -0.080 29.638 29.700 0.030 0.000 0.772 329 E HN 0.548 nan 8.360 nan 0.000 0.491 330 N N 0.344 119.017 118.700 -0.044 0.000 2.642 330 N HA 0.128 4.870 4.740 0.003 0.000 0.308 330 N C -0.539 174.884 175.510 -0.145 0.000 1.914 330 N CA -0.250 52.745 53.050 -0.092 0.000 0.893 330 N CB 0.414 38.882 38.487 -0.032 0.000 1.322 330 N HN -0.059 nan 8.380 nan 0.000 0.490 331 R N 0.354 120.679 120.500 -0.291 0.000 2.893 331 R HA 0.241 4.583 4.340 0.003 0.000 0.317 331 R C -0.478 175.718 176.300 -0.174 0.000 1.239 331 R CA 0.059 56.034 56.100 -0.208 0.000 1.128 331 R CB -0.123 30.106 30.300 -0.118 0.000 1.377 331 R HN 0.183 nan 8.270 nan 0.000 0.583 332 F N -0.677 119.305 119.950 0.053 0.000 2.698 332 F HA 0.235 4.763 4.527 0.001 0.000 0.304 332 F C 1.228 176.843 175.800 -0.308 0.000 1.108 332 F CA -0.352 57.544 58.000 -0.173 0.000 1.263 332 F CB 0.191 39.110 39.000 -0.135 0.000 1.013 332 F HN 0.034 nan 8.300 nan 0.000 0.532 333 M N -0.537 119.081 119.600 0.030 0.000 2.460 333 M HA -0.148 4.334 4.480 0.003 0.000 0.263 333 M C 1.981 178.276 176.300 -0.008 0.000 1.071 333 M CA 1.354 56.656 55.300 0.003 0.000 1.096 333 M CB -0.682 31.923 32.600 0.009 0.000 1.408 333 M HN 0.396 nan 8.290 nan 0.000 0.463 334 H N -1.824 117.279 119.070 0.055 0.000 2.457 334 H HA -0.006 4.553 4.556 0.005 0.000 0.294 334 H C 1.872 177.229 175.328 0.047 0.000 1.064 334 H CA 0.880 56.950 56.048 0.036 0.000 1.330 334 H CB -0.826 28.962 29.762 0.044 0.000 1.395 334 H HN 0.096 nan 8.280 nan 0.000 0.541 335 V N 1.796 121.485 119.914 -0.374 0.000 2.255 335 V HA -0.178 3.944 4.120 0.003 0.000 0.247 335 V C -0.316 175.738 176.094 -0.066 0.000 1.051 335 V CA 2.100 64.278 62.300 -0.203 0.000 1.018 335 V CB -1.250 30.419 31.823 -0.257 0.000 0.641 335 V HN 0.448 nan 8.190 nan 0.000 0.445 336 P HA -0.102 nan 4.420 nan 0.000 0.220 336 P C 1.484 178.785 177.300 0.000 0.000 1.148 336 P CA 1.098 64.188 63.100 -0.017 0.000 0.803 336 P CB -0.031 31.662 31.700 -0.012 0.000 0.782 337 E N -0.310 119.894 120.200 0.007 0.000 2.107 337 E HA -0.043 4.309 4.350 0.003 0.000 0.191 337 E C 2.098 178.715 176.600 0.029 0.000 0.982 337 E CA 0.848 57.260 56.400 0.021 0.000 0.809 337 E CB -0.834 28.883 29.700 0.029 0.000 0.756 337 E HN 0.337 nan 8.360 nan 0.000 0.459 338 L N 0.979 122.225 121.223 0.037 0.000 2.201 338 L HA -0.107 4.235 4.340 0.003 0.000 0.212 338 L C 2.415 179.308 176.870 0.039 0.000 1.105 338 L CA 0.645 55.511 54.840 0.042 0.000 0.775 338 L CB -0.270 41.825 42.059 0.059 0.000 0.913 338 L HN -0.001 nan 8.230 nan 0.000 0.440 339 S N -0.292 115.426 115.700 0.030 0.000 2.382 339 S HA -0.124 4.348 4.470 0.003 0.000 0.228 339 S C 2.016 176.638 174.600 0.036 0.000 1.027 339 S CA 1.002 59.224 58.200 0.037 0.000 0.991 339 S CB -0.162 63.049 63.200 0.018 0.000 0.823 339 S HN 0.392 nan 8.310 nan 0.000 0.469 340 R N 0.757 121.273 120.500 0.026 0.000 2.152 340 R HA 0.065 4.407 4.340 0.003 0.000 0.232 340 R C 1.746 178.063 176.300 0.028 0.000 1.117 340 R CA 1.057 57.170 56.100 0.023 0.000 0.981 340 R CB -0.329 29.982 30.300 0.019 0.000 0.870 340 R HN 0.449 nan 8.270 nan 0.000 0.451 341 M N -0.511 119.108 119.600 0.031 0.000 2.618 341 M HA 0.138 4.620 4.480 0.003 0.000 0.240 341 M C 0.825 177.148 176.300 0.037 0.000 1.123 341 M CA 0.680 55.997 55.300 0.029 0.000 1.060 341 M CB 0.787 33.401 32.600 0.023 0.000 1.535 341 M HN 0.435 nan 8.290 nan 0.000 0.507 342 G N 0.795 109.632 108.800 0.062 0.000 2.157 342 G HA2 -0.196 3.766 3.960 0.003 0.000 0.239 342 G HA3 -0.196 3.766 3.960 0.003 0.000 0.239 342 G C 0.217 175.203 174.900 0.143 0.000 0.982 342 G CA -0.025 45.137 45.100 0.104 0.000 0.650 342 G HN 0.698 nan 8.290 nan 0.000 0.527 343 A N 0.184 123.071 122.820 0.112 0.000 2.483 343 A HA 0.526 4.848 4.320 0.003 0.000 0.238 343 A C 0.176 177.958 177.584 0.329 0.000 1.070 343 A CA 0.285 52.394 52.037 0.120 0.000 0.770 343 A CB 0.084 19.124 19.000 0.068 0.000 1.008 343 A HN 0.583 nan 8.150 nan 0.000 0.497 344 H N 0.514 119.603 119.070 0.032 0.000 2.691 344 H HA 0.624 5.182 4.556 0.004 0.000 0.281 344 H C 0.132 175.523 175.328 0.105 0.000 1.121 344 H CA 0.115 56.198 56.048 0.059 0.000 1.254 344 H CB 0.768 30.569 29.762 0.064 0.000 1.390 344 H HN 0.849 nan 8.280 nan 0.000 0.491 345 A N 2.653 125.569 122.820 0.160 0.000 2.454 345 A HA 0.745 5.067 4.320 0.003 0.000 0.302 345 A C -0.746 176.874 177.584 0.060 0.000 1.079 345 A CA -0.781 51.303 52.037 0.079 0.000 0.731 345 A CB 1.799 20.799 19.000 -0.001 0.000 1.299 345 A HN 0.618 nan 8.150 nan 0.000 0.413 346 E N 0.665 120.882 120.200 0.028 0.000 2.278 346 E HA 0.485 4.837 4.350 0.003 0.000 0.272 346 E C -1.443 175.127 176.600 -0.050 0.000 0.890 346 E CA -0.187 56.224 56.400 0.018 0.000 0.770 346 E CB 2.125 31.878 29.700 0.089 0.000 1.212 346 E HN 0.584 nan 8.360 nan 0.000 0.415 347 I N 2.688 123.220 120.570 -0.063 0.000 2.336 347 I HA 0.324 4.496 4.170 0.003 0.000 0.292 347 I C -0.253 175.852 176.117 -0.020 0.000 0.991 347 I CA -0.620 60.622 61.300 -0.096 0.000 1.227 347 I CB 1.093 39.042 38.000 -0.084 0.000 1.366 347 I HN 0.269 nan 8.210 nan 0.000 0.466 348 E N 5.161 125.356 120.200 -0.009 0.000 2.255 348 E HA 0.248 4.600 4.350 0.003 0.000 0.256 348 E C 0.362 176.996 176.600 0.055 0.000 0.887 348 E CA -0.090 56.323 56.400 0.021 0.000 0.782 348 E CB 1.887 31.592 29.700 0.008 0.000 1.214 348 E HN 0.844 nan 8.360 nan 0.000 0.417 349 S N 4.283 120.027 115.700 0.073 0.000 3.905 349 S HA -0.443 4.029 4.470 0.003 0.000 0.537 349 S C 1.085 175.808 174.600 0.205 0.000 0.934 349 S CA 2.389 60.654 58.200 0.110 0.000 3.401 349 S CB -1.141 62.102 63.200 0.073 0.000 2.340 349 S HN 0.777 nan 8.310 nan 0.000 0.480 350 N N 1.535 120.349 118.700 0.191 0.000 2.314 350 N HA 0.315 5.057 4.740 0.003 0.000 0.200 350 N C -0.474 175.273 175.510 0.394 0.000 1.135 350 N CA 0.339 53.564 53.050 0.292 0.000 0.835 350 N CB 0.346 38.921 38.487 0.146 0.000 0.989 350 N HN 0.509 nan 8.380 nan 0.000 0.478 351 T N 0.414 115.109 114.554 0.235 0.000 2.848 351 T HA 0.289 4.641 4.350 0.003 0.000 0.285 351 T C -1.139 173.446 174.700 -0.192 0.000 0.995 351 T CA -0.688 61.455 62.100 0.071 0.000 0.970 351 T CB 2.441 71.336 68.868 0.045 0.000 0.976 351 T HN 0.002 nan 8.240 nan 0.000 0.441 352 V N 4.829 124.491 119.914 -0.421 0.000 2.394 352 V HA 0.613 4.736 4.120 0.003 0.000 0.282 352 V C -0.961 175.058 176.094 -0.125 0.000 1.031 352 V CA -0.788 61.259 62.300 -0.422 0.000 0.881 352 V CB 0.543 31.912 31.823 -0.758 0.000 0.982 352 V HN 0.742 nan 8.190 nan 0.000 0.451 353 I N 7.441 127.986 120.570 -0.042 0.000 2.325 353 I HA 0.401 4.573 4.170 0.003 0.000 0.291 353 I C 0.143 176.145 176.117 -0.193 0.000 1.019 353 I CA 0.374 61.702 61.300 0.046 0.000 1.302 353 I CB 0.687 38.780 38.000 0.156 0.000 1.401 353 I HN 0.568 nan 8.210 nan 0.000 0.485 354 C N 5.698 124.769 119.300 -0.380 0.000 2.382 354 C HA 0.487 4.949 4.460 0.003 0.000 0.327 354 C C -0.136 174.560 174.990 -0.490 0.000 1.250 354 C CA -0.716 58.111 59.018 -0.319 0.000 1.707 354 C CB 0.431 28.037 27.740 -0.222 0.000 2.272 354 C HN 0.625 nan 8.230 nan 0.000 0.506 355 H N 1.476 120.521 119.070 -0.042 0.000 2.786 355 H HA 0.295 4.852 4.556 0.003 0.000 0.284 355 H C 0.540 175.832 175.328 -0.060 0.000 1.104 355 H CA -0.030 56.000 56.048 -0.031 0.000 1.339 355 H CB 1.129 30.922 29.762 0.052 0.000 1.427 355 H HN 0.936 nan 8.280 nan 0.000 0.497 356 G N 1.906 110.691 108.800 -0.024 0.000 2.484 356 G HA2 0.273 4.235 3.960 0.003 0.000 0.235 356 G HA3 0.273 4.235 3.960 0.003 0.000 0.235 356 G C 0.524 175.364 174.900 -0.100 0.000 1.282 356 G CA -0.205 44.856 45.100 -0.064 0.000 0.857 356 G HN 0.422 nan 8.290 nan 0.000 0.571 357 V N -0.152 119.672 119.914 -0.150 0.000 3.019 357 V HA 0.535 4.657 4.120 0.003 0.000 0.317 357 V C 1.179 177.207 176.094 -0.109 0.000 1.094 357 V CA -0.601 61.585 62.300 -0.189 0.000 1.000 357 V CB 1.901 33.520 31.823 -0.339 0.000 1.060 357 V HN 0.853 nan 8.190 nan 0.000 0.443 358 E N 0.947 121.095 120.200 -0.087 0.000 2.038 358 E HA -0.096 4.256 4.350 0.003 0.000 0.195 358 E C 0.337 176.906 176.600 -0.051 0.000 1.000 358 E CA 1.388 57.755 56.400 -0.056 0.000 0.803 358 E CB 0.208 29.883 29.700 -0.041 0.000 0.750 358 E HN 0.697 nan 8.360 nan 0.000 0.448 359 K N 0.153 120.520 120.400 -0.055 0.000 2.468 359 K HA 0.378 4.700 4.320 0.003 0.000 0.252 359 K C -0.949 175.627 176.600 -0.041 0.000 0.932 359 K CA -0.525 55.737 56.287 -0.040 0.000 0.794 359 K CB 2.053 34.536 32.500 -0.028 0.000 1.241 359 K HN -0.014 nan 8.250 nan 0.000 0.428 360 L N 1.372 122.577 121.223 -0.031 0.000 2.439 360 L HA 0.407 4.749 4.340 0.003 0.000 0.259 360 L C 0.156 177.021 176.870 -0.008 0.000 1.129 360 L CA -0.496 54.333 54.840 -0.018 0.000 0.803 360 L CB 1.466 43.517 42.059 -0.013 0.000 1.161 360 L HN 0.671 nan 8.230 nan 0.000 0.462 361 S N -0.563 115.138 115.700 0.002 0.000 2.482 361 S HA 0.574 5.046 4.470 0.003 0.000 0.303 361 S C -0.036 174.569 174.600 0.008 0.000 1.091 361 S CA -0.843 57.360 58.200 0.005 0.000 1.057 361 S CB 1.538 64.744 63.200 0.010 0.000 1.031 361 S HN 0.779 nan 8.310 nan 0.000 0.485 362 G N 1.078 109.882 108.800 0.007 0.000 2.353 362 G HA2 0.499 4.461 3.960 0.003 0.000 0.239 362 G HA3 0.499 4.461 3.960 0.003 0.000 0.239 362 G C -0.100 174.808 174.900 0.013 0.000 1.295 362 G CA 0.054 45.159 45.100 0.009 0.000 0.884 362 G HN 1.317 nan 8.290 nan 0.000 0.537 363 A N 2.228 125.058 122.820 0.016 0.000 2.601 363 A HA 0.649 4.971 4.320 0.003 0.000 0.291 363 A C -0.451 177.146 177.584 0.021 0.000 1.075 363 A CA -0.778 51.270 52.037 0.018 0.000 0.671 363 A CB 0.999 20.009 19.000 0.018 0.000 1.277 363 A HN 0.661 nan 8.150 nan 0.000 0.417 364 Q N 0.341 120.153 119.800 0.020 0.000 2.296 364 Q HA 0.464 4.806 4.340 0.003 0.000 0.262 364 Q C -0.078 175.935 176.000 0.021 0.000 0.981 364 Q CA -0.155 55.661 55.803 0.022 0.000 0.905 364 Q CB 1.145 29.896 28.738 0.021 0.000 1.186 364 Q HN 1.012 nan 8.270 nan 0.000 0.399 365 V N -0.078 119.849 119.914 0.022 0.000 3.130 365 V HA 0.737 4.859 4.120 0.003 0.000 0.310 365 V C -0.969 175.134 176.094 0.015 0.000 1.158 365 V CA -1.281 61.031 62.300 0.019 0.000 1.029 365 V CB 2.356 34.192 31.823 0.021 0.000 1.057 365 V HN 0.848 nan 8.190 nan 0.000 0.436 366 M N 2.752 122.357 119.600 0.009 0.000 2.263 366 M HA 0.846 5.328 4.480 0.003 0.000 0.295 366 M C -0.309 175.980 176.300 -0.020 0.000 1.028 366 M CA -0.566 54.736 55.300 0.003 0.000 0.921 366 M CB 1.640 34.248 32.600 0.012 0.000 1.601 366 M HN 1.309 nan 8.290 nan 0.000 0.440 367 A N 2.801 125.597 122.820 -0.040 0.000 2.388 367 A HA 0.528 4.851 4.320 0.003 0.000 0.257 367 A C 0.753 178.190 177.584 -0.246 0.000 1.095 367 A CA 0.130 52.100 52.037 -0.112 0.000 0.791 367 A CB 0.151 19.100 19.000 -0.085 0.000 1.029 367 A HN 0.969 nan 8.150 nan 0.000 0.489 368 T N -1.558 112.748 114.554 -0.413 0.000 2.964 368 T HA 0.266 4.618 4.350 0.003 0.000 0.249 368 T C 0.154 174.337 174.700 -0.862 0.000 1.000 368 T CA 0.633 62.455 62.100 -0.463 0.000 0.992 368 T CB -0.131 68.625 68.868 -0.187 0.000 1.087 368 T HN 0.845 nan 8.240 nan 0.000 0.489 369 D N -0.156 119.738 120.400 -0.843 0.000 2.692 369 D HA 0.159 4.801 4.640 0.003 0.000 0.290 369 D C 0.706 176.839 176.300 -0.277 0.000 1.281 369 D CA -0.742 52.912 54.000 -0.577 0.000 0.804 369 D CB 1.660 42.303 40.800 -0.263 0.000 1.331 369 D HN -0.020 nan 8.370 nan 0.000 0.432 370 L N 0.931 122.118 121.223 -0.060 0.000 1.970 370 L HA -0.144 4.198 4.340 0.003 0.000 0.212 370 L C 2.220 179.134 176.870 0.073 0.000 1.071 370 L CA 1.879 56.758 54.840 0.065 0.000 0.751 370 L CB -0.539 41.575 42.059 0.092 0.000 0.889 370 L HN 0.366 nan 8.230 nan 0.000 0.432 371 R N 0.088 120.609 120.500 0.035 0.000 2.189 371 R HA 0.103 4.445 4.340 0.003 0.000 0.218 371 R C 2.165 178.428 176.300 -0.061 0.000 1.074 371 R CA 1.068 57.193 56.100 0.041 0.000 0.991 371 R CB -1.363 28.960 30.300 0.039 0.000 0.883 371 R HN 0.560 nan 8.270 nan 0.000 0.457 372 A N 1.578 124.341 122.820 -0.095 0.000 1.898 372 A HA -0.168 4.154 4.320 0.003 0.000 0.216 372 A C 2.389 179.926 177.584 -0.079 0.000 1.181 372 A CA 1.821 53.800 52.037 -0.096 0.000 0.620 372 A CB -0.537 18.440 19.000 -0.037 0.000 0.819 372 A HN 0.436 nan 8.150 nan 0.000 0.442 373 S N 0.558 116.202 115.700 -0.093 0.000 2.359 373 S HA -0.075 4.397 4.470 0.003 0.000 0.224 373 S C 2.148 176.696 174.600 -0.086 0.000 1.035 373 S CA 1.587 59.740 58.200 -0.079 0.000 1.018 373 S CB -0.892 62.274 63.200 -0.057 0.000 0.876 373 S HN 0.981 nan 8.310 nan 0.000 0.448 374 A N 1.789 124.526 122.820 -0.139 0.000 1.940 374 A HA -0.033 4.289 4.320 0.003 0.000 0.219 374 A C 2.468 179.935 177.584 -0.196 0.000 1.176 374 A CA 2.038 53.909 52.037 -0.277 0.000 0.631 374 A CB -1.240 17.488 19.000 -0.454 0.000 0.814 374 A HN 0.617 nan 8.150 nan 0.000 0.446 375 S N -0.018 115.602 115.700 -0.133 0.000 2.383 375 S HA -0.046 4.426 4.470 0.003 0.000 0.227 375 S C 1.744 176.310 174.600 -0.056 0.000 1.026 375 S CA 1.359 59.500 58.200 -0.100 0.000 0.981 375 S CB -0.428 62.709 63.200 -0.104 0.000 0.818 375 S HN 0.518 nan 8.310 nan 0.000 0.472 376 L N 1.039 122.242 121.223 -0.034 0.000 2.141 376 L HA -0.035 4.307 4.340 0.003 0.000 0.209 376 L C 2.267 179.134 176.870 -0.006 0.000 1.094 376 L CA 0.615 55.452 54.840 -0.005 0.000 0.763 376 L CB -0.678 41.387 42.059 0.009 0.000 0.908 376 L HN 0.187 nan 8.230 nan 0.000 0.437 377 V N -0.355 119.550 119.914 -0.016 0.000 2.307 377 V HA -0.252 3.870 4.120 0.003 0.000 0.245 377 V C 2.426 178.485 176.094 -0.059 0.000 1.045 377 V CA 1.262 63.560 62.300 -0.002 0.000 1.024 377 V CB -0.313 31.528 31.823 0.031 0.000 0.651 377 V HN 0.218 nan 8.190 nan 0.000 0.449 378 L N 0.607 121.771 121.223 -0.099 0.000 2.012 378 L HA -0.171 4.171 4.340 0.003 0.000 0.210 378 L C 2.659 179.492 176.870 -0.062 0.000 1.073 378 L CA 2.391 57.172 54.840 -0.100 0.000 0.748 378 L CB -1.462 40.521 42.059 -0.127 0.000 0.891 378 L HN 0.304 nan 8.230 nan 0.000 0.431 379 A N -0.496 122.297 122.820 -0.044 0.000 1.892 379 A HA -0.189 4.134 4.320 0.003 0.000 0.218 379 A C 2.461 180.034 177.584 -0.019 0.000 1.188 379 A CA 1.937 53.960 52.037 -0.024 0.000 0.631 379 A CB -1.508 17.489 19.000 -0.005 0.000 0.822 379 A HN 0.463 nan 8.150 nan 0.000 0.447 380 G N -0.826 107.965 108.800 -0.014 0.000 2.556 380 G HA2 -0.373 3.589 3.960 0.003 0.000 0.220 380 G HA3 -0.373 3.589 3.960 0.003 0.000 0.220 380 G C 1.600 176.486 174.900 -0.022 0.000 1.156 380 G CA 1.449 46.543 45.100 -0.010 0.000 0.766 380 G HN 0.556 nan 8.290 nan 0.000 0.583 381 C N 0.548 119.827 119.300 -0.036 0.000 2.440 381 C HA 0.052 4.514 4.460 0.003 0.000 0.278 381 C C 2.745 177.716 174.990 -0.031 0.000 1.295 381 C CA 0.906 59.900 59.018 -0.039 0.000 1.738 381 C CB -0.985 26.726 27.740 -0.048 0.000 1.987 381 C HN 0.667 nan 8.230 nan 0.000 0.492 382 I N -0.670 119.882 120.570 -0.031 0.000 3.783 382 I HA 0.354 4.526 4.170 0.003 0.000 0.310 382 I C 1.161 177.264 176.117 -0.023 0.000 1.274 382 I CA 0.030 61.313 61.300 -0.028 0.000 1.294 382 I CB -0.468 37.513 38.000 -0.033 0.000 1.051 382 I HN 0.052 nan 8.210 nan 0.000 0.435 383 A N 1.823 124.632 122.820 -0.019 0.000 2.406 383 A HA 0.261 4.583 4.320 0.003 0.000 0.243 383 A C 0.009 177.586 177.584 -0.011 0.000 1.082 383 A CA -0.055 51.974 52.037 -0.013 0.000 0.786 383 A CB 0.177 19.173 19.000 -0.006 0.000 1.029 383 A HN 0.465 nan 8.150 nan 0.000 0.495 384 E N 0.051 120.246 120.200 -0.008 0.000 2.227 384 E HA 0.510 4.862 4.350 0.003 0.000 0.282 384 E C 0.719 177.318 176.600 -0.002 0.000 1.015 384 E CA 1.090 57.486 56.400 -0.006 0.000 0.823 384 E CB 0.558 30.254 29.700 -0.006 0.000 1.081 384 E HN 1.685 nan 8.360 nan 0.000 0.396 385 G N 2.970 111.768 108.800 -0.002 0.000 2.475 385 G HA2 -0.163 3.799 3.960 0.003 0.000 0.223 385 G HA3 -0.163 3.799 3.960 0.003 0.000 0.223 385 G C -0.617 174.284 174.900 0.002 0.000 1.201 385 G CA -0.264 44.837 45.100 0.001 0.000 0.962 385 G HN 0.714 nan 8.290 nan 0.000 0.586 386 T N 1.288 115.845 114.554 0.006 0.000 2.812 386 T HA 0.687 5.039 4.350 0.003 0.000 0.282 386 T C -0.307 174.401 174.700 0.015 0.000 0.990 386 T CA 0.252 62.358 62.100 0.009 0.000 0.960 386 T CB 1.642 70.517 68.868 0.011 0.000 0.948 386 T HN 0.754 nan 8.240 nan 0.000 0.438 387 T N 2.630 117.195 114.554 0.018 0.000 2.823 387 T HA 0.597 4.949 4.350 0.003 0.000 0.279 387 T C -0.458 174.266 174.700 0.040 0.000 0.998 387 T CA -0.579 61.536 62.100 0.026 0.000 0.994 387 T CB 1.300 70.182 68.868 0.022 0.000 0.960 387 T HN 0.342 nan 8.240 nan 0.000 0.448 388 V N 3.479 123.419 119.914 0.043 0.000 2.376 388 V HA 0.391 4.513 4.120 0.003 0.000 0.287 388 V C -0.239 175.886 176.094 0.053 0.000 1.015 388 V CA -0.867 61.467 62.300 0.057 0.000 0.834 388 V CB 1.517 33.367 31.823 0.045 0.000 1.001 388 V HN 0.728 nan 8.190 nan 0.000 0.428 389 V N 3.627 123.585 119.914 0.073 0.000 2.383 389 V HA 0.397 4.519 4.120 0.003 0.000 0.275 389 V C -0.055 176.043 176.094 0.006 0.000 1.036 389 V CA -0.263 62.063 62.300 0.043 0.000 0.889 389 V CB 1.564 33.424 31.823 0.063 0.000 0.985 389 V HN 0.911 nan 8.190 nan 0.000 0.459 390 D N 3.395 123.793 120.400 -0.002 0.000 2.332 390 D HA 0.439 5.081 4.640 0.003 0.000 0.252 390 D C 0.545 176.831 176.300 -0.023 0.000 1.050 390 D CA -0.514 53.481 54.000 -0.009 0.000 0.970 390 D CB 0.784 41.594 40.800 0.017 0.000 1.141 390 D HN 0.483 nan 8.370 nan 0.000 0.485 391 R N 1.180 121.677 120.500 -0.006 0.000 3.336 391 R HA -0.195 4.147 4.340 0.003 0.000 0.260 391 R C 0.559 176.740 176.300 -0.199 0.000 1.032 391 R CA -0.026 56.057 56.100 -0.028 0.000 0.693 391 R CB -1.830 28.488 30.300 0.030 0.000 1.134 391 R HN 0.420 nan 8.270 nan 0.000 0.433 392 I N 0.768 121.221 120.570 -0.196 0.000 3.444 392 I HA -0.167 4.005 4.170 0.003 0.000 0.287 392 I C 2.050 178.020 176.117 -0.245 0.000 1.302 392 I CA 0.593 61.705 61.300 -0.313 0.000 1.368 392 I CB -0.230 37.388 38.000 -0.637 0.000 1.048 392 I HN 0.415 nan 8.210 nan 0.000 0.487 393 Y N -0.581 119.594 120.300 -0.209 0.000 2.241 393 Y HA -0.321 4.230 4.550 0.002 0.000 0.286 393 Y C 2.211 177.992 175.900 -0.199 0.000 1.166 393 Y CA 1.850 59.822 58.100 -0.214 0.000 1.203 393 Y CB -1.691 36.619 38.460 -0.249 0.000 0.977 393 Y HN 0.327 nan 8.280 nan 0.000 0.529 394 H N 0.161 118.919 119.070 -0.519 0.000 2.353 394 H HA -0.160 4.398 4.556 0.003 0.000 0.298 394 H C 2.300 177.587 175.328 -0.070 0.000 1.103 394 H CA 2.235 58.101 56.048 -0.303 0.000 1.293 394 H CB -0.327 29.212 29.762 -0.372 0.000 1.372 394 H HN 0.456 nan 8.280 nan 0.000 0.501 395 I N 0.602 121.195 120.570 0.039 0.000 2.226 395 I HA -0.246 3.926 4.170 0.003 0.000 0.245 395 I C 1.189 177.423 176.117 0.195 0.000 1.100 395 I CA 1.307 62.684 61.300 0.128 0.000 1.374 395 I CB 0.021 38.044 38.000 0.040 0.000 1.057 395 I HN 0.274 nan 8.210 nan 0.000 0.413 396 D N 0.483 120.949 120.400 0.109 0.000 2.351 396 D HA -0.145 4.497 4.640 0.003 0.000 0.216 396 D C 2.152 178.522 176.300 0.117 0.000 0.968 396 D CA 0.727 54.800 54.000 0.121 0.000 0.899 396 D CB -0.159 40.689 40.800 0.079 0.000 0.907 396 D HN 0.409 nan 8.370 nan 0.000 0.514 397 R N -0.316 120.254 120.500 0.116 0.000 2.090 397 R HA 0.041 4.383 4.340 0.003 0.000 0.228 397 R C 1.907 178.249 176.300 0.069 0.000 1.110 397 R CA 1.245 57.400 56.100 0.091 0.000 0.973 397 R CB 0.092 30.448 30.300 0.092 0.000 0.869 397 R HN 0.138 nan 8.270 nan 0.000 0.440 398 G N -1.628 107.218 108.800 0.077 0.000 3.443 398 G HA2 0.102 4.064 3.960 0.003 0.000 0.252 398 G HA3 0.102 4.064 3.960 0.003 0.000 0.252 398 G C -0.512 174.233 174.900 -0.258 0.000 1.015 398 G CA -0.267 44.790 45.100 -0.071 0.000 0.891 398 G HN 0.031 nan 8.290 nan 0.000 0.510 399 Y N 0.789 121.134 120.300 0.074 0.000 2.364 399 Y HA 0.511 5.063 4.550 0.003 0.000 0.340 399 Y C 0.032 175.996 175.900 0.107 0.000 0.975 399 Y CA -1.346 56.814 58.100 0.100 0.000 1.089 399 Y CB 1.799 40.322 38.460 0.105 0.000 1.192 399 Y HN 0.010 nan 8.280 nan 0.000 0.454 400 E N 3.747 124.081 120.200 0.223 0.000 2.167 400 E HA 0.325 4.677 4.350 0.003 0.000 0.284 400 E C -0.283 176.438 176.600 0.201 0.000 1.016 400 E CA -0.466 56.034 56.400 0.167 0.000 0.817 400 E CB 0.330 30.095 29.700 0.108 0.000 1.080 400 E HN 0.733 nan 8.360 nan 0.000 0.397 401 R N 3.359 123.967 120.500 0.180 0.000 3.525 401 R HA -0.217 4.125 4.340 0.003 0.000 0.276 401 R C 1.153 177.565 176.300 0.186 0.000 1.116 401 R CA 0.604 56.796 56.100 0.155 0.000 0.745 401 R CB -1.873 28.488 30.300 0.103 0.000 1.185 401 R HN 0.788 nan 8.270 nan 0.000 0.454 402 I N 1.254 121.971 120.570 0.244 0.000 2.454 402 I HA -0.273 3.899 4.170 0.003 0.000 0.254 402 I C 2.473 178.655 176.117 0.109 0.000 1.156 402 I CA 1.929 63.378 61.300 0.247 0.000 1.433 402 I CB -0.030 38.039 38.000 0.115 0.000 1.082 402 I HN 0.363 nan 8.210 nan 0.000 0.432 403 E N 0.373 120.589 120.200 0.026 0.000 2.107 403 E HA -0.234 4.118 4.350 0.003 0.000 0.191 403 E C 1.184 177.748 176.600 -0.060 0.000 0.982 403 E CA 1.255 57.565 56.400 -0.151 0.000 0.809 403 E CB -0.513 29.034 29.700 -0.255 0.000 0.756 403 E HN 0.527 nan 8.360 nan 0.000 0.459 404 D N 1.771 122.176 120.400 0.007 0.000 2.123 404 D HA -0.063 4.579 4.640 0.003 0.000 0.200 404 D C 1.921 178.229 176.300 0.013 0.000 0.976 404 D CA 0.944 54.947 54.000 0.005 0.000 0.831 404 D CB -0.143 40.668 40.800 0.018 0.000 0.974 404 D HN 0.234 nan 8.370 nan 0.000 0.469 405 K N 0.490 120.922 120.400 0.053 0.000 2.063 405 K HA -0.069 4.253 4.320 0.003 0.000 0.208 405 K C 2.352 179.007 176.600 0.091 0.000 1.048 405 K CA 0.666 56.969 56.287 0.027 0.000 0.928 405 K CB -0.154 32.358 32.500 0.020 0.000 0.713 405 K HN 0.108 nan 8.250 nan 0.000 0.442 406 L N 0.351 121.676 121.223 0.170 0.000 2.093 406 L HA -0.139 4.203 4.340 0.003 0.000 0.208 406 L C 2.680 179.563 176.870 0.022 0.000 1.085 406 L CA 1.007 55.919 54.840 0.120 0.000 0.755 406 L CB -0.281 41.795 42.059 0.029 0.000 0.904 406 L HN 0.147 nan 8.230 nan 0.000 0.435 407 R N 0.379 120.868 120.500 -0.018 0.000 2.081 407 R HA -0.169 4.173 4.340 0.003 0.000 0.235 407 R C 2.300 178.587 176.300 -0.023 0.000 1.131 407 R CA 1.429 57.509 56.100 -0.033 0.000 0.960 407 R CB -0.301 29.973 30.300 -0.044 0.000 0.856 407 R HN 0.324 nan 8.270 nan 0.000 0.436 408 A N 0.575 123.382 122.820 -0.021 0.000 2.076 408 A HA -0.105 4.217 4.320 0.003 0.000 0.220 408 A C 1.905 179.472 177.584 -0.028 0.000 1.160 408 A CA 1.120 53.139 52.037 -0.030 0.000 0.653 408 A CB -0.397 18.577 19.000 -0.044 0.000 0.801 408 A HN 0.377 nan 8.150 nan 0.000 0.455 409 L N -1.846 119.370 121.223 -0.011 0.000 2.591 409 L HA 0.232 4.574 4.340 0.003 0.000 0.228 409 L C 1.592 178.458 176.870 -0.007 0.000 1.133 409 L CA 0.544 55.383 54.840 -0.002 0.000 0.880 409 L CB -0.108 41.974 42.059 0.038 0.000 1.033 409 L HN 0.564 nan 8.230 nan 0.000 0.450 410 G N -0.049 108.742 108.800 -0.014 0.000 2.163 410 G HA2 -0.195 3.767 3.960 0.003 0.000 0.213 410 G HA3 -0.195 3.767 3.960 0.003 0.000 0.213 410 G C 0.337 175.223 174.900 -0.023 0.000 0.991 410 G CA -0.140 44.948 45.100 -0.019 0.000 0.653 410 G HN 0.427 nan 8.290 nan 0.000 0.518 411 A N -0.155 122.649 122.820 -0.026 0.000 2.407 411 A HA 0.629 4.951 4.320 0.003 0.000 0.248 411 A C 0.371 177.923 177.584 -0.053 0.000 1.082 411 A CA 0.509 52.522 52.037 -0.041 0.000 0.785 411 A CB 0.266 19.233 19.000 -0.054 0.000 1.020 411 A HN 0.700 nan 8.150 nan 0.000 0.489 412 N N 1.608 120.276 118.700 -0.052 0.000 2.645 412 N HA 0.479 5.221 4.740 0.003 0.000 0.233 412 N C -1.127 174.339 175.510 -0.073 0.000 1.058 412 N CA -0.170 52.849 53.050 -0.051 0.000 0.942 412 N CB -0.014 38.453 38.487 -0.034 0.000 1.210 412 N HN 0.566 nan 8.380 nan 0.000 0.512 413 I N 1.503 122.009 120.570 -0.107 0.000 2.498 413 I HA 0.303 4.475 4.170 0.003 0.000 0.290 413 I C -0.487 175.548 176.117 -0.137 0.000 1.032 413 I CA -0.756 60.440 61.300 -0.173 0.000 1.073 413 I CB 2.152 39.950 38.000 -0.336 0.000 1.251 413 I HN 0.437 nan 8.210 nan 0.000 0.426 414 E N 5.985 126.139 120.200 -0.075 0.000 2.234 414 E HA 0.358 4.710 4.350 0.003 0.000 0.266 414 E C -0.932 175.738 176.600 0.116 0.000 0.877 414 E CA -0.885 55.516 56.400 0.001 0.000 0.758 414 E CB 2.157 31.870 29.700 0.021 0.000 1.170 414 E HN 0.464 nan 8.360 nan 0.000 0.415 415 R N 2.963 123.573 120.500 0.183 0.000 2.389 415 R HA 0.345 4.687 4.340 0.003 0.000 0.295 415 R C -1.025 175.375 176.300 0.166 0.000 1.075 415 R CA -0.135 56.158 56.100 0.321 0.000 1.005 415 R CB 0.720 31.212 30.300 0.319 0.000 0.987 415 R HN 0.276 nan 8.270 nan 0.000 0.452 416 V N 4.071 124.069 119.914 0.141 0.000 3.007 416 V HA 0.170 4.292 4.120 0.003 0.000 0.311 416 V C 0.843 176.968 176.094 0.052 0.000 1.120 416 V CA -0.863 61.486 62.300 0.082 0.000 0.980 416 V CB 2.029 33.898 31.823 0.077 0.000 1.033 416 V HN 0.813 nan 8.190 nan 0.000 0.429 417 K N 1.596 122.018 120.400 0.037 0.000 2.076 417 K HA 0.229 4.551 4.320 0.003 0.000 0.204 417 K C 0.975 177.589 176.600 0.023 0.000 1.051 417 K CA 1.203 57.505 56.287 0.025 0.000 0.949 417 K CB -0.251 32.262 32.500 0.020 0.000 0.726 417 K HN 1.255 nan 8.250 nan 0.000 0.443 418 G N 0.000 108.816 108.800 0.027 0.000 5.446 418 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 418 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 418 G CA 0.000 45.115 45.100 0.024 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925