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 1qle_1_A DATA FIRST_RESID 17 DATA SEQUENCE GFFTRWFMST NHKDIGILYL FTAGIVGLIS VCFTVYMRME LQHPGVQYMc DATA SEQUENCE LEGARLIADA SAEcTPNGHL WNVMITYHGV LMMFFVVIPA LFGGFGNYFM DATA SEQUENCE PLHIGAPDMA FPRLNNLSYW MYVCGVALGV ASLLAPGGND QMGSGVGWVL DATA SEQUENCE YPPLSTTEAG YSMDLAIFAV HVSGASSILG AINIITTFLN MRAPGMTLFK DATA SEQUENCE VPLFAWSVFI TAWLILLSLP VLAGAITMLL MDRNFGTQFF DPAGGGDPVL DATA SEQUENCE YQHILWFFGH PEVYIIILPG FGIISHVIST FAKKPIFGYL PMVLAMAAIG DATA SEQUENCE ILGFVVWAHH MYTAGMSLTQ QAYFMLATMT IAVPTGIKVF SWIATMWGGS DATA SEQUENCE IEFKTPMLWA FGFLFLFTVG GVTGVVLSQA PLDRVYHDTY YVVAHFHYVM DATA SEQUENCE SLGAVFGIFA GVYYWIGKMS GRQYPEWAGQ LHFWMMFIGS NLIFFPQHFL DATA SEQUENCE GRQGMPRRYI DYPVEFAYWN NISSIGAYIS FASFLFFIGI VFYTLFAGKR DATA SEQUENCE VNVPNYWNEH ADTLEWTLPS PPPEHTFETL PKREDWDR 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 17 G HA2 0.000 nan 3.960 nan 0.000 0.244 17 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 17 G C 0.000 175.210 174.900 0.516 0.000 0.946 17 G CA 0.000 45.339 45.100 0.399 0.000 0.502 18 F N 3.544 123.720 119.950 0.376 0.000 2.390 18 F HA 0.179 4.706 4.527 -0.001 0.000 0.339 18 F C 0.935 176.965 175.800 0.383 0.000 1.161 18 F CA -1.819 56.359 58.000 0.296 0.000 0.940 18 F CB -0.752 38.380 39.000 0.220 0.000 1.022 18 F HN 0.192 nan 8.300 nan 0.000 0.572 19 F N 3.858 124.048 119.950 0.400 0.000 2.678 19 F HA -0.119 4.408 4.527 -0.001 0.000 0.298 19 F C 0.801 176.688 175.800 0.145 0.000 1.337 19 F CA 0.629 58.743 58.000 0.191 0.000 1.460 19 F CB -0.083 38.900 39.000 -0.029 0.000 1.106 19 F HN 0.397 nan 8.300 nan 0.000 0.562 20 T N -1.560 112.959 114.554 -0.058 0.000 3.168 20 T HA 0.064 4.414 4.350 -0.001 0.000 0.261 20 T C 1.811 176.253 174.700 -0.429 0.000 0.931 20 T CA -0.291 61.597 62.100 -0.353 0.000 0.949 20 T CB 0.072 68.657 68.868 -0.473 0.000 1.229 20 T HN 0.205 nan 8.240 nan 0.000 0.504 21 R N -0.505 119.625 120.500 -0.617 0.000 2.173 21 R HA 0.111 4.450 4.340 -0.001 0.000 0.208 21 R C 0.903 176.799 176.300 -0.673 0.000 1.035 21 R CA 0.768 56.439 56.100 -0.715 0.000 1.004 21 R CB 0.105 29.886 30.300 -0.865 0.000 0.917 21 R HN 0.436 nan 8.270 nan 0.000 0.462 22 W N -1.815 119.563 121.300 0.129 0.000 2.975 22 W HA 0.214 4.874 4.660 -0.001 0.000 0.316 22 W C 0.672 177.290 176.519 0.166 0.000 1.131 22 W CA -0.569 56.855 57.345 0.130 0.000 1.624 22 W CB 0.499 30.078 29.460 0.197 0.000 1.038 22 W HN -0.076 nan 8.180 nan 0.000 0.571 23 F N -0.730 119.490 119.950 0.450 0.000 2.706 23 F HA 0.316 4.843 4.527 -0.001 0.000 0.308 23 F C 1.092 177.137 175.800 0.407 0.000 1.095 23 F CA 0.532 58.905 58.000 0.622 0.000 1.244 23 F CB 0.188 39.598 39.000 0.684 0.000 1.063 23 F HN -0.279 nan 8.300 nan 0.000 0.582 24 M N -0.660 119.100 119.600 0.266 0.000 3.114 24 M HA 0.181 4.660 4.480 -0.001 0.000 0.386 24 M C 0.394 176.684 176.300 -0.015 0.000 1.417 24 M CA -0.134 55.220 55.300 0.090 0.000 0.785 24 M CB 0.924 33.474 32.600 -0.084 0.000 1.413 24 M HN -0.130 nan 8.290 nan 0.000 0.498 25 S N -0.096 115.592 115.700 -0.020 0.000 2.587 25 S HA 0.274 4.744 4.470 -0.001 0.000 0.260 25 S C 0.987 175.535 174.600 -0.087 0.000 1.353 25 S CA 0.690 58.808 58.200 -0.138 0.000 0.995 25 S CB 0.621 63.703 63.200 -0.197 0.000 0.912 25 S HN 0.508 nan 8.310 nan 0.000 0.568 26 T N 1.605 116.085 114.554 -0.123 0.000 3.524 26 T HA 0.145 4.495 4.350 -0.001 0.000 0.300 26 T C -0.631 173.998 174.700 -0.118 0.000 0.872 26 T CA -0.464 61.585 62.100 -0.086 0.000 0.888 26 T CB -0.189 68.635 68.868 -0.074 0.000 1.216 26 T HN 0.605 nan 8.240 nan 0.000 0.724 27 N N 2.166 120.757 118.700 -0.181 0.000 2.426 27 N HA 0.157 4.896 4.740 -0.001 0.000 0.257 27 N C 1.323 176.682 175.510 -0.251 0.000 1.002 27 N CA -0.390 52.511 53.050 -0.247 0.000 0.942 27 N CB 0.644 38.939 38.487 -0.319 0.000 1.112 27 N HN 0.382 nan 8.380 nan 0.000 0.499 28 H N 3.328 122.276 119.070 -0.204 0.000 2.426 28 H HA -0.106 4.449 4.556 -0.001 0.000 0.298 28 H C 0.435 175.611 175.328 -0.252 0.000 1.107 28 H CA 1.364 57.293 56.048 -0.199 0.000 1.298 28 H CB 0.306 29.943 29.762 -0.208 0.000 1.377 28 H HN 0.496 nan 8.280 nan 0.000 0.519 29 K N 0.271 120.074 120.400 -0.995 0.000 2.103 29 K HA -0.074 4.246 4.320 -0.001 0.000 0.204 29 K C 1.376 177.820 176.600 -0.260 0.000 1.052 29 K CA 1.214 56.978 56.287 -0.872 0.000 0.945 29 K CB 0.215 32.006 32.500 -1.181 0.000 0.722 29 K HN 0.280 nan 8.250 nan 0.000 0.443 30 D N 0.383 120.634 120.400 -0.248 0.000 2.349 30 D HA 0.016 4.656 4.640 -0.001 0.000 0.224 30 D C 1.404 177.707 176.300 0.004 0.000 1.029 30 D CA 0.658 54.605 54.000 -0.089 0.000 0.879 30 D CB 0.209 40.739 40.800 -0.449 0.000 0.906 30 D HN 0.258 nan 8.370 nan 0.000 0.528 31 I N -0.300 120.234 120.570 -0.061 0.000 2.810 31 I HA 0.062 4.231 4.170 -0.001 0.000 0.262 31 I C 2.491 178.649 176.117 0.069 0.000 1.131 31 I CA 0.430 61.689 61.300 -0.068 0.000 1.453 31 I CB -0.187 37.799 38.000 -0.023 0.000 1.161 31 I HN -0.071 nan 8.210 nan 0.000 0.444 32 G N 2.123 110.999 108.800 0.126 0.000 2.442 32 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.219 32 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.219 32 G C 1.620 176.539 174.900 0.031 0.000 1.141 32 G CA 0.560 45.759 45.100 0.164 0.000 0.763 32 G HN 0.125 nan 8.290 nan 0.000 0.554 33 I N 0.343 120.918 120.570 0.009 0.000 2.113 33 I HA -0.088 4.081 4.170 -0.001 0.000 0.238 33 I C 2.708 178.595 176.117 -0.383 0.000 1.070 33 I CA 0.831 61.984 61.300 -0.245 0.000 1.332 33 I CB -1.185 36.831 38.000 0.027 0.000 1.044 33 I HN 0.106 nan 8.210 nan 0.000 0.402 34 L N -0.320 120.755 121.223 -0.246 0.000 2.263 34 L HA -0.252 4.087 4.340 -0.001 0.000 0.216 34 L C 2.309 179.002 176.870 -0.295 0.000 1.111 34 L CA 1.732 56.303 54.840 -0.449 0.000 0.773 34 L CB -0.644 40.884 42.059 -0.886 0.000 0.906 34 L HN 0.164 nan 8.230 nan 0.000 0.439 35 Y N -2.573 117.671 120.300 -0.094 0.000 2.163 35 Y HA -0.188 4.361 4.550 -0.001 0.000 0.288 35 Y C 2.235 178.166 175.900 0.051 0.000 1.112 35 Y CA 0.581 58.778 58.100 0.163 0.000 1.104 35 Y CB -0.157 38.351 38.460 0.080 0.000 1.016 35 Y HN -0.083 nan 8.280 nan 0.000 0.497 36 L N -0.525 120.707 121.223 0.015 0.000 2.011 36 L HA -0.327 4.013 4.340 -0.001 0.000 0.225 36 L C 2.237 179.137 176.870 0.049 0.000 1.084 36 L CA 2.093 56.863 54.840 -0.117 0.000 0.791 36 L CB -1.730 40.093 42.059 -0.393 0.000 0.898 36 L HN 0.245 nan 8.230 nan 0.000 0.440 37 F N -0.105 119.880 119.950 0.058 0.000 2.333 37 F HA -0.137 4.390 4.527 -0.001 0.000 0.300 37 F C 2.597 178.440 175.800 0.073 0.000 1.083 37 F CA 1.149 59.166 58.000 0.030 0.000 1.395 37 F CB -1.715 37.264 39.000 -0.036 0.000 1.056 37 F HN 0.150 nan 8.300 nan 0.000 0.529 38 T N -0.475 114.253 114.554 0.290 0.000 2.894 38 T HA 0.036 4.385 4.350 -0.001 0.000 0.258 38 T C 2.326 177.209 174.700 0.306 0.000 1.043 38 T CA 1.041 63.297 62.100 0.261 0.000 1.141 38 T CB -0.526 68.492 68.868 0.251 0.000 0.873 38 T HN 0.222 nan 8.240 nan 0.000 0.449 39 A N 1.299 124.347 122.820 0.380 0.000 2.070 39 A HA 0.154 4.474 4.320 -0.001 0.000 0.220 39 A C 2.439 180.183 177.584 0.267 0.000 1.159 39 A CA 1.681 53.919 52.037 0.334 0.000 0.656 39 A CB -1.096 18.050 19.000 0.244 0.000 0.800 39 A HN 0.508 nan 8.150 nan 0.000 0.453 40 G N -0.210 108.755 108.800 0.275 0.000 2.395 40 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.214 40 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.214 40 G C 1.280 176.340 174.900 0.267 0.000 1.177 40 G CA 0.859 46.146 45.100 0.312 0.000 0.794 40 G HN 0.332 nan 8.290 nan 0.000 0.532 41 I N 1.335 122.016 120.570 0.184 0.000 2.394 41 I HA -0.053 4.116 4.170 -0.001 0.000 0.251 41 I C 2.748 178.939 176.117 0.123 0.000 1.136 41 I CA 0.580 61.952 61.300 0.121 0.000 1.425 41 I CB -0.731 37.319 38.000 0.083 0.000 1.079 41 I HN 0.045 nan 8.210 nan 0.000 0.425 42 V N 0.471 120.476 119.914 0.152 0.000 2.599 42 V HA 0.071 4.190 4.120 -0.001 0.000 0.245 42 V C 2.604 178.777 176.094 0.132 0.000 1.046 42 V CA 1.364 63.742 62.300 0.131 0.000 1.065 42 V CB -1.249 30.684 31.823 0.184 0.000 0.703 42 V HN 0.417 nan 8.190 nan 0.000 0.464 43 G N 0.120 109.028 108.800 0.181 0.000 2.432 43 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.219 43 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.219 43 G C 1.611 176.591 174.900 0.134 0.000 1.135 43 G CA 1.093 46.280 45.100 0.145 0.000 0.767 43 G HN 0.447 nan 8.290 nan 0.000 0.550 44 L N 0.188 121.574 121.223 0.272 0.000 1.976 44 L HA -0.003 4.337 4.340 -0.001 0.000 0.209 44 L C 2.827 179.773 176.870 0.126 0.000 1.071 44 L CA 1.261 56.325 54.840 0.373 0.000 0.746 44 L CB -0.248 42.007 42.059 0.327 0.000 0.890 44 L HN 0.208 nan 8.230 nan 0.000 0.432 45 I N -0.654 119.905 120.570 -0.018 0.000 2.185 45 I HA -0.381 3.789 4.170 -0.001 0.000 0.246 45 I C 2.782 178.492 176.117 -0.679 0.000 1.088 45 I CA 1.659 62.777 61.300 -0.303 0.000 1.347 45 I CB -0.531 37.291 38.000 -0.297 0.000 1.041 45 I HN 0.373 nan 8.210 nan 0.000 0.415 46 S N 0.483 115.975 115.700 -0.346 0.000 2.345 46 S HA -0.103 4.366 4.470 -0.001 0.000 0.220 46 S C 1.895 176.494 174.600 -0.003 0.000 1.031 46 S CA 1.102 59.208 58.200 -0.157 0.000 0.996 46 S CB -0.233 63.067 63.200 0.167 0.000 0.882 46 S HN 0.219 nan 8.310 nan 0.000 0.445 47 V N 0.806 120.741 119.914 0.036 0.000 3.330 47 V HA -0.092 4.027 4.120 -0.001 0.000 0.273 47 V C 1.981 178.216 176.094 0.235 0.000 1.179 47 V CA 1.047 63.397 62.300 0.083 0.000 1.174 47 V CB -1.119 30.634 31.823 -0.117 0.000 0.794 47 V HN 0.665 nan 8.190 nan 0.000 0.527 48 C N -1.131 118.258 119.300 0.149 0.000 2.520 48 C HA 0.098 4.558 4.460 -0.001 0.000 0.291 48 C C 2.354 177.414 174.990 0.117 0.000 1.364 48 C CA -0.077 59.043 59.018 0.170 0.000 1.781 48 C CB -0.561 27.284 27.740 0.175 0.000 2.171 48 C HN 0.530 nan 8.230 nan 0.000 0.516 49 F N 2.542 122.527 119.950 0.059 0.000 2.184 49 F HA -0.183 4.344 4.527 -0.001 0.000 0.301 49 F C 2.659 178.413 175.800 -0.077 0.000 1.076 49 F CA 1.973 59.989 58.000 0.026 0.000 1.295 49 F CB -1.850 37.183 39.000 0.054 0.000 1.026 49 F HN 0.360 nan 8.300 nan 0.000 0.494 50 T N -2.114 112.454 114.554 0.025 0.000 2.867 50 T HA -0.104 4.245 4.350 -0.001 0.000 0.268 50 T C 1.988 176.648 174.700 -0.067 0.000 1.057 50 T CA 1.392 63.414 62.100 -0.130 0.000 1.136 50 T CB -1.146 67.626 68.868 -0.160 0.000 0.874 50 T HN 0.225 nan 8.240 nan 0.000 0.466 51 V N -1.564 118.298 119.914 -0.085 0.000 2.379 51 V HA 0.095 4.214 4.120 -0.001 0.000 0.243 51 V C 2.362 178.497 176.094 0.069 0.000 1.035 51 V CA 0.939 63.188 62.300 -0.085 0.000 1.035 51 V CB -1.578 30.043 31.823 -0.336 0.000 0.673 51 V HN 0.464 nan 8.190 nan 0.000 0.457 52 Y N 0.410 120.676 120.300 -0.057 0.000 2.207 52 Y HA -0.244 4.306 4.550 -0.001 0.000 0.287 52 Y C 2.557 178.513 175.900 0.095 0.000 1.156 52 Y CA 2.351 60.442 58.100 -0.016 0.000 1.182 52 Y CB -0.087 38.368 38.460 -0.009 0.000 0.979 52 Y HN 0.191 nan 8.280 nan 0.000 0.521 53 M N -0.481 119.136 119.600 0.029 0.000 2.059 53 M HA -0.232 4.248 4.480 -0.001 0.000 0.259 53 M C 2.190 178.618 176.300 0.213 0.000 1.072 53 M CA 1.543 56.851 55.300 0.014 0.000 1.117 53 M CB -0.269 32.249 32.600 -0.137 0.000 1.320 53 M HN -0.013 nan 8.290 nan 0.000 0.408 54 R N 0.040 120.602 120.500 0.103 0.000 2.293 54 R HA -0.064 4.276 4.340 -0.001 0.000 0.219 54 R C 1.780 178.140 176.300 0.100 0.000 1.091 54 R CA 1.016 57.151 56.100 0.059 0.000 1.004 54 R CB -0.430 29.800 30.300 -0.116 0.000 0.865 54 R HN 0.526 nan 8.270 nan 0.000 0.469 55 M N -0.384 119.338 119.600 0.202 0.000 2.098 55 M HA -0.113 4.367 4.480 -0.001 0.000 0.262 55 M C 1.907 178.454 176.300 0.413 0.000 1.072 55 M CA 1.399 56.921 55.300 0.370 0.000 1.133 55 M CB -0.200 32.591 32.600 0.318 0.000 1.344 55 M HN -0.063 nan 8.290 nan 0.000 0.414 56 E N 0.617 121.036 120.200 0.365 0.000 2.153 56 E HA -0.149 4.201 4.350 -0.001 0.000 0.194 56 E C 1.942 178.605 176.600 0.106 0.000 0.988 56 E CA 1.142 57.664 56.400 0.203 0.000 0.811 56 E CB -0.199 29.610 29.700 0.181 0.000 0.746 56 E HN 0.528 nan 8.360 nan 0.000 0.466 57 L N 0.408 121.735 121.223 0.172 0.000 2.291 57 L HA -0.123 4.216 4.340 -0.001 0.000 0.214 57 L C 2.708 179.683 176.870 0.174 0.000 1.120 57 L CA 0.602 55.566 54.840 0.206 0.000 0.799 57 L CB -0.306 41.850 42.059 0.161 0.000 0.925 57 L HN 0.123 nan 8.230 nan 0.000 0.446 58 Q N -0.325 119.492 119.800 0.027 0.000 2.084 58 Q HA -0.126 4.214 4.340 -0.001 0.000 0.202 58 Q C 0.062 175.864 176.000 -0.329 0.000 0.978 58 Q CA 1.176 56.868 55.803 -0.184 0.000 0.844 58 Q CB 0.312 28.890 28.738 -0.266 0.000 0.898 58 Q HN 0.427 nan 8.270 nan 0.000 0.426 59 H N -0.723 118.396 119.070 0.081 0.000 2.637 59 H HA 0.401 4.957 4.556 -0.001 0.000 0.363 59 H C -2.352 172.883 175.328 -0.154 0.000 1.131 59 H CA -2.598 53.446 56.048 -0.007 0.000 1.183 59 H CB 1.417 31.158 29.762 -0.035 0.000 1.637 59 H HN 0.111 nan 8.280 nan 0.000 0.531 60 P HA 0.112 nan 4.420 nan 0.000 0.271 60 P C 0.363 177.494 177.300 -0.282 0.000 1.238 60 P CA 0.792 63.618 63.100 -0.458 0.000 0.794 60 P CB 0.386 31.887 31.700 -0.332 0.000 0.959 61 G N -0.996 107.627 108.800 -0.295 0.000 2.819 61 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.682 61 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.682 61 G C -0.485 174.307 174.900 -0.179 0.000 1.481 61 G CA -0.378 44.606 45.100 -0.194 0.000 0.904 61 G HN 0.595 nan 8.290 nan 0.000 0.563 62 V N -1.294 118.540 119.914 -0.133 0.000 2.339 62 V HA 0.578 4.697 4.120 -0.001 0.000 0.261 62 V C 0.938 176.967 176.094 -0.108 0.000 1.058 62 V CA 0.180 62.417 62.300 -0.104 0.000 0.897 62 V CB 0.749 32.539 31.823 -0.054 0.000 1.052 62 V HN 0.797 nan 8.190 nan 0.000 0.480 63 Q N 3.054 122.740 119.800 -0.190 0.000 2.252 63 Q HA 0.189 4.528 4.340 -0.001 0.000 0.195 63 Q C 1.461 177.397 176.000 -0.107 0.000 0.974 63 Q CA 1.242 56.901 55.803 -0.240 0.000 0.846 63 Q CB -0.266 28.173 28.738 -0.499 0.000 0.943 63 Q HN 0.799 nan 8.270 nan 0.000 0.516 64 Y N 0.540 120.888 120.300 0.079 0.000 2.113 64 Y HA 0.024 4.573 4.550 -0.001 0.000 0.269 64 Y C 0.902 176.886 175.900 0.141 0.000 1.098 64 Y CA 0.481 58.664 58.100 0.139 0.000 1.083 64 Y CB -0.720 37.837 38.460 0.162 0.000 0.997 64 Y HN 0.070 nan 8.280 nan 0.000 0.476 65 M N 1.760 121.539 119.600 0.299 0.000 2.685 65 M HA 0.014 4.494 4.480 -0.001 0.000 0.344 65 M C -1.177 175.211 176.300 0.147 0.000 1.754 65 M CA 0.615 56.051 55.300 0.226 0.000 1.263 65 M CB -0.779 31.941 32.600 0.201 0.000 2.042 65 M HN 0.239 nan 8.290 nan 0.000 0.459 66 c N 3.548 122.234 118.600 0.143 0.000 2.396 66 c HA 0.229 4.799 4.570 -0.001 0.000 0.321 66 c C 1.621 175.761 174.090 0.083 0.000 1.233 66 c CA -1.095 55.289 56.329 0.092 0.000 1.440 66 c CB 0.991 43.550 42.510 0.082 0.000 2.110 66 c HN 1.013 nan 8.230 nan 0.000 0.473 67 L N 1.713 122.974 121.223 0.063 0.000 2.129 67 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 67 L C 2.180 179.075 176.870 0.041 0.000 1.087 67 L CA 1.948 56.819 54.840 0.051 0.000 0.757 67 L CB 0.007 42.089 42.059 0.038 0.000 0.896 67 L HN 0.835 nan 8.230 nan 0.000 0.434 68 E N 0.172 120.396 120.200 0.040 0.000 2.265 68 E HA 0.080 4.429 4.350 -0.001 0.000 0.196 68 E C 0.522 177.146 176.600 0.040 0.000 0.996 68 E CA 0.827 57.248 56.400 0.034 0.000 0.832 68 E CB 0.060 29.779 29.700 0.032 0.000 0.756 68 E HN 0.606 nan 8.360 nan 0.000 0.491 69 G N -0.938 107.896 108.800 0.057 0.000 2.146 69 G HA2 0.392 4.351 3.960 -0.001 0.000 0.261 69 G HA3 0.392 4.351 3.960 -0.001 0.000 0.261 69 G C -0.774 174.185 174.900 0.098 0.000 1.745 69 G CA -0.637 44.501 45.100 0.064 0.000 0.905 69 G HN 0.265 nan 8.290 nan 0.000 0.746 70 A N 2.323 125.213 122.820 0.116 0.000 2.492 70 A HA 0.715 5.035 4.320 -0.001 0.000 0.236 70 A C 0.799 178.485 177.584 0.171 0.000 1.078 70 A CA 0.352 52.501 52.037 0.185 0.000 0.773 70 A CB 0.315 19.425 19.000 0.184 0.000 1.023 70 A HN 0.899 nan 8.150 nan 0.000 0.504 71 R N 0.921 121.579 120.500 0.263 0.000 2.808 71 R HA 0.442 4.782 4.340 -0.001 0.000 0.272 71 R C -0.441 175.983 176.300 0.206 0.000 0.995 71 R CA -0.944 55.288 56.100 0.219 0.000 0.917 71 R CB 1.086 31.539 30.300 0.256 0.000 1.217 71 R HN 0.544 nan 8.270 nan 0.000 0.471 72 L N 1.438 122.715 121.223 0.089 0.000 2.638 72 L HA 0.310 4.650 4.340 -0.001 0.000 0.232 72 L C -0.322 176.558 176.870 0.016 0.000 1.099 72 L CA 0.604 55.423 54.840 -0.035 0.000 0.883 72 L CB 0.168 42.193 42.059 -0.056 0.000 1.136 72 L HN 0.560 nan 8.230 nan 0.000 0.492 73 I N -1.811 118.874 120.570 0.192 0.000 2.619 73 I HA 0.530 4.700 4.170 -0.001 0.000 0.292 73 I C 0.341 176.659 176.117 0.334 0.000 1.100 73 I CA -1.607 59.857 61.300 0.274 0.000 1.043 73 I CB 0.745 38.831 38.000 0.144 0.000 1.239 73 I HN -0.103 nan 8.210 nan 0.000 0.420 74 A N 3.713 126.731 122.820 0.329 0.000 2.580 74 A HA 0.297 4.617 4.320 -0.001 0.000 0.244 74 A C 0.107 177.741 177.584 0.084 0.000 1.045 74 A CA 0.280 52.389 52.037 0.120 0.000 0.761 74 A CB -0.307 18.710 19.000 0.029 0.000 0.962 74 A HN 0.810 nan 8.150 nan 0.000 0.512 75 D N 2.624 123.056 120.400 0.055 0.000 2.514 75 D HA 0.400 5.039 4.640 -0.001 0.000 0.267 75 D C 0.787 177.096 176.300 0.014 0.000 1.165 75 D CA 0.238 54.264 54.000 0.043 0.000 0.958 75 D CB 0.664 41.499 40.800 0.058 0.000 0.992 75 D HN 0.440 nan 8.370 nan 0.000 0.506 76 A N 1.559 124.382 122.820 0.005 0.000 1.978 76 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 76 A C 2.082 179.664 177.584 -0.003 0.000 1.170 76 A CA 1.190 53.222 52.037 -0.008 0.000 0.636 76 A CB -0.147 18.846 19.000 -0.011 0.000 0.810 76 A HN 0.439 nan 8.150 nan 0.000 0.448 77 S N -0.883 114.820 115.700 0.005 0.000 2.501 77 S HA 0.449 4.918 4.470 -0.001 0.000 0.220 77 S C 0.917 175.522 174.600 0.008 0.000 0.997 77 S CA 0.303 58.506 58.200 0.006 0.000 0.919 77 S CB -0.116 63.090 63.200 0.009 0.000 0.778 77 S HN 0.753 nan 8.310 nan 0.000 0.523 78 A N 1.470 124.298 122.820 0.013 0.000 2.295 78 A HA 0.467 4.787 4.320 -0.001 0.000 0.318 78 A C 0.090 177.682 177.584 0.012 0.000 1.134 78 A CA -0.513 51.534 52.037 0.017 0.000 0.827 78 A CB 0.460 19.477 19.000 0.028 0.000 1.136 78 A HN 0.093 nan 8.150 nan 0.000 0.493 79 E N 0.919 121.127 120.200 0.013 0.000 1.858 79 E HA 0.069 4.419 4.350 -0.001 0.000 0.267 79 E C -0.932 175.677 176.600 0.015 0.000 1.215 79 E CA 0.130 56.536 56.400 0.010 0.000 0.952 79 E CB 0.499 30.205 29.700 0.010 0.000 1.058 79 E HN 0.531 nan 8.360 nan 0.000 0.407 80 c N 4.810 123.416 118.600 0.009 0.000 2.116 80 c HA 0.228 4.798 4.570 -0.001 0.000 0.367 80 c C 0.365 174.458 174.090 0.005 0.000 1.039 80 c CA -0.329 56.008 56.329 0.014 0.000 1.465 80 c CB -1.331 41.182 42.510 0.004 0.000 1.783 80 c HN 0.450 nan 8.230 nan 0.000 0.470 81 T N 8.595 123.157 114.554 0.014 0.000 2.869 81 T HA 0.282 4.632 4.350 -0.001 0.000 0.295 81 T C -2.253 172.455 174.700 0.015 0.000 0.987 81 T CA -0.445 61.660 62.100 0.009 0.000 1.109 81 T CB 0.939 69.815 68.868 0.014 0.000 0.932 81 T HN 0.564 nan 8.240 nan 0.000 0.518 82 P HA -0.007 nan 4.420 nan 0.000 0.263 82 P C -0.660 176.661 177.300 0.034 0.000 1.175 82 P CA -0.007 63.094 63.100 0.002 0.000 0.761 82 P CB 0.106 31.793 31.700 -0.022 0.000 0.794 83 N N 0.818 119.555 118.700 0.061 0.000 2.750 83 N HA 0.283 5.022 4.740 -0.001 0.000 0.253 83 N C 1.159 176.769 175.510 0.167 0.000 1.408 83 N CA -0.941 52.175 53.050 0.110 0.000 0.780 83 N CB 0.520 39.080 38.487 0.121 0.000 1.191 83 N HN 0.269 nan 8.380 nan 0.000 0.511 84 G N 0.802 109.688 108.800 0.144 0.000 2.440 84 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.218 84 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.218 84 G C 1.094 176.167 174.900 0.289 0.000 1.154 84 G CA 1.109 46.325 45.100 0.193 0.000 0.767 84 G HN 0.700 nan 8.290 nan 0.000 0.552 85 H N -0.183 118.976 119.070 0.149 0.000 2.255 85 H HA -0.178 4.377 4.556 -0.001 0.000 0.290 85 H C 2.471 177.886 175.328 0.145 0.000 1.087 85 H CA 1.893 58.021 56.048 0.133 0.000 1.213 85 H CB -0.174 29.643 29.762 0.091 0.000 1.349 85 H HN 0.235 nan 8.280 nan 0.000 0.487 86 L N 0.525 121.965 121.223 0.363 0.000 2.051 86 L HA -0.239 4.100 4.340 -0.001 0.000 0.214 86 L C 2.333 179.332 176.870 0.216 0.000 1.076 86 L CA 2.216 57.211 54.840 0.258 0.000 0.758 86 L CB -1.172 41.019 42.059 0.220 0.000 0.890 86 L HN 0.598 nan 8.230 nan 0.000 0.433 87 W N 0.576 121.946 121.300 0.116 0.000 2.379 87 W HA -0.231 4.429 4.660 -0.001 0.000 0.307 87 W C 2.193 178.775 176.519 0.104 0.000 1.200 87 W CA 1.674 59.073 57.345 0.089 0.000 1.297 87 W CB -0.521 28.985 29.460 0.077 0.000 1.140 87 W HN 0.340 nan 8.180 nan 0.000 0.507 88 N N 1.019 119.826 118.700 0.177 0.000 2.018 88 N HA -0.208 4.531 4.740 -0.001 0.000 0.196 88 N C 1.854 177.354 175.510 -0.017 0.000 1.043 88 N CA 2.546 55.641 53.050 0.074 0.000 0.856 88 N CB -1.154 37.372 38.487 0.065 0.000 1.042 88 N HN 0.035 nan 8.380 nan 0.000 0.423 89 V N 1.579 121.527 119.914 0.056 0.000 2.231 89 V HA -0.297 3.823 4.120 -0.001 0.000 0.250 89 V C 2.434 178.570 176.094 0.071 0.000 1.058 89 V CA 2.035 64.433 62.300 0.164 0.000 1.022 89 V CB -0.526 31.392 31.823 0.159 0.000 0.640 89 V HN 0.249 nan 8.190 nan 0.000 0.445 90 M N 0.010 119.533 119.600 -0.129 0.000 2.202 90 M HA -0.163 4.317 4.480 -0.001 0.000 0.262 90 M C 1.736 177.922 176.300 -0.190 0.000 1.063 90 M CA 2.091 57.230 55.300 -0.270 0.000 1.097 90 M CB -0.460 31.953 32.600 -0.312 0.000 1.382 90 M HN 0.587 nan 8.290 nan 0.000 0.413 91 I N -4.439 115.994 120.570 -0.227 0.000 2.494 91 I HA 0.024 4.194 4.170 -0.001 0.000 0.250 91 I C 1.865 178.050 176.117 0.112 0.000 1.112 91 I CA 1.063 62.333 61.300 -0.050 0.000 1.438 91 I CB -1.520 36.403 38.000 -0.129 0.000 1.111 91 I HN -0.016 nan 8.210 nan 0.000 0.431 92 T N 0.688 115.287 114.554 0.074 0.000 2.665 92 T HA -0.203 4.147 4.350 -0.001 0.000 0.268 92 T C 1.690 176.404 174.700 0.024 0.000 1.035 92 T CA 2.465 64.582 62.100 0.030 0.000 1.151 92 T CB -0.655 68.168 68.868 -0.075 0.000 0.862 92 T HN 0.434 nan 8.240 nan 0.000 0.438 93 Y N 0.004 120.355 120.300 0.085 0.000 2.544 93 Y HA 0.070 4.619 4.550 -0.001 0.000 0.286 93 Y C 2.410 178.492 175.900 0.303 0.000 1.141 93 Y CA 0.386 58.579 58.100 0.155 0.000 1.299 93 Y CB -0.390 38.116 38.460 0.076 0.000 1.030 93 Y HN 0.390 nan 8.280 nan 0.000 0.543 94 H N -0.495 118.759 119.070 0.307 0.000 2.357 94 H HA -0.038 4.518 4.556 -0.001 0.000 0.301 94 H C 2.297 177.750 175.328 0.209 0.000 1.082 94 H CA 1.725 57.986 56.048 0.356 0.000 1.342 94 H CB -0.539 29.366 29.762 0.239 0.000 1.389 94 H HN 0.228 nan 8.280 nan 0.000 0.511 95 G N 0.246 108.985 108.800 -0.101 0.000 2.404 95 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.213 95 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.213 95 G C 1.883 176.627 174.900 -0.259 0.000 1.189 95 G CA 1.012 45.882 45.100 -0.384 0.000 0.796 95 G HN 0.374 nan 8.290 nan 0.000 0.532 96 V N 1.412 121.340 119.914 0.023 0.000 2.313 96 V HA -0.242 3.878 4.120 -0.001 0.000 0.253 96 V C 2.900 179.129 176.094 0.224 0.000 1.070 96 V CA 1.837 64.224 62.300 0.145 0.000 1.057 96 V CB -0.503 31.383 31.823 0.105 0.000 0.653 96 V HN 0.355 nan 8.190 nan 0.000 0.450 97 L N -1.664 119.737 121.223 0.297 0.000 2.095 97 L HA -0.094 4.246 4.340 -0.001 0.000 0.204 97 L C 2.538 179.498 176.870 0.150 0.000 1.080 97 L CA 1.201 56.294 54.840 0.421 0.000 0.759 97 L CB -0.567 41.734 42.059 0.404 0.000 0.914 97 L HN 0.270 nan 8.230 nan 0.000 0.439 98 M N -0.657 118.910 119.600 -0.055 0.000 2.358 98 M HA -0.134 4.345 4.480 -0.001 0.000 0.264 98 M C 1.829 177.946 176.300 -0.305 0.000 1.064 98 M CA 1.439 56.627 55.300 -0.187 0.000 1.093 98 M CB -0.189 32.203 32.600 -0.347 0.000 1.401 98 M HN 0.347 nan 8.290 nan 0.000 0.440 99 M N -2.995 116.368 119.600 -0.394 0.000 2.538 99 M HA 0.136 4.615 4.480 -0.001 0.000 0.259 99 M C 1.227 177.216 176.300 -0.519 0.000 1.217 99 M CA 0.862 55.819 55.300 -0.572 0.000 1.131 99 M CB -0.312 31.666 32.600 -1.037 0.000 1.382 99 M HN 0.101 nan 8.290 nan 0.000 0.520 100 F N -0.836 118.813 119.950 -0.501 0.000 2.694 100 F HA 0.202 4.728 4.527 -0.001 0.000 0.292 100 F C 0.305 175.564 175.800 -0.902 0.000 1.121 100 F CA 0.404 57.926 58.000 -0.798 0.000 1.352 100 F CB 0.662 38.903 39.000 -1.265 0.000 1.107 100 F HN -0.111 nan 8.300 nan 0.000 0.597 101 F N -1.155 118.915 119.950 0.199 0.000 2.556 101 F HA 0.407 4.934 4.527 -0.001 0.000 0.384 101 F C 0.105 176.028 175.800 0.205 0.000 1.493 101 F CA -0.170 57.991 58.000 0.269 0.000 1.119 101 F CB 0.114 39.337 39.000 0.373 0.000 1.280 101 F HN -0.293 nan 8.300 nan 0.000 0.525 102 V N -2.038 117.971 119.914 0.158 0.000 4.311 102 V HA -0.089 4.031 4.120 -0.001 0.000 0.154 102 V C 1.474 177.572 176.094 0.008 0.000 1.381 102 V CA 0.335 62.712 62.300 0.129 0.000 1.066 102 V CB 0.250 32.132 31.823 0.099 0.000 1.129 102 V HN 0.071 nan 8.190 nan 0.000 0.612 103 V N 0.671 120.534 119.914 -0.085 0.000 2.323 103 V HA -0.140 3.980 4.120 -0.001 0.000 0.244 103 V C 2.217 178.234 176.094 -0.128 0.000 1.041 103 V CA 2.026 64.248 62.300 -0.129 0.000 1.025 103 V CB -0.333 31.371 31.823 -0.198 0.000 0.656 103 V HN 0.401 nan 8.190 nan 0.000 0.451 104 I N -0.125 120.346 120.570 -0.165 0.000 2.235 104 I HA -0.008 4.161 4.170 -0.001 0.000 0.241 104 I C 0.019 176.056 176.117 -0.134 0.000 1.085 104 I CA 0.938 62.151 61.300 -0.145 0.000 1.378 104 I CB -2.368 35.505 38.000 -0.212 0.000 1.076 104 I HN 0.255 nan 8.210 nan 0.000 0.415 105 P HA -0.192 nan 4.420 nan 0.000 0.218 105 P C 1.494 178.682 177.300 -0.187 0.000 1.150 105 P CA 2.152 65.041 63.100 -0.352 0.000 0.841 105 P CB 0.081 31.485 31.700 -0.493 0.000 0.784 106 A N -1.551 121.220 122.820 -0.083 0.000 1.878 106 A HA -0.045 4.275 4.320 -0.001 0.000 0.213 106 A C 2.115 179.637 177.584 -0.103 0.000 1.192 106 A CA 1.079 53.070 52.037 -0.076 0.000 0.619 106 A CB -1.234 17.747 19.000 -0.032 0.000 0.837 106 A HN 0.116 nan 8.150 nan 0.000 0.446 107 L N -2.445 118.784 121.223 0.009 0.000 2.307 107 L HA 0.078 4.418 4.340 -0.001 0.000 0.211 107 L C 2.220 179.243 176.870 0.255 0.000 1.099 107 L CA 0.563 55.516 54.840 0.188 0.000 0.816 107 L CB -0.101 42.046 42.059 0.147 0.000 0.952 107 L HN 0.469 nan 8.230 nan 0.000 0.455 108 F N 0.172 120.051 119.950 -0.119 0.000 2.387 108 F HA 0.228 4.754 4.527 -0.001 0.000 0.278 108 F C 2.251 177.871 175.800 -0.300 0.000 1.010 108 F CA 1.015 58.913 58.000 -0.169 0.000 1.236 108 F CB -0.771 38.091 39.000 -0.230 0.000 1.137 108 F HN -0.121 nan 8.300 nan 0.000 0.604 109 G N -0.448 107.941 108.800 -0.685 0.000 2.470 109 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.220 109 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.220 109 G C 1.557 176.081 174.900 -0.627 0.000 1.121 109 G CA 0.860 45.085 45.100 -1.458 0.000 0.766 109 G HN 0.643 nan 8.290 nan 0.000 0.553 110 G N 0.288 108.902 108.800 -0.309 0.000 2.600 110 G HA2 0.232 4.192 3.960 -0.001 0.000 0.225 110 G HA3 0.232 4.192 3.960 -0.001 0.000 0.225 110 G C 0.372 175.254 174.900 -0.029 0.000 1.623 110 G CA -0.581 44.408 45.100 -0.186 0.000 0.903 110 G HN 0.245 nan 8.290 nan 0.000 0.574 111 F N 2.177 122.271 119.950 0.240 0.000 2.651 111 F HA 0.410 4.936 4.527 -0.001 0.000 0.367 111 F C 1.507 177.621 175.800 0.523 0.000 1.225 111 F CA -0.031 58.211 58.000 0.403 0.000 1.310 111 F CB 0.425 39.676 39.000 0.418 0.000 1.724 111 F HN 0.342 nan 8.300 nan 0.000 0.662 112 G N 0.178 109.215 108.800 0.396 0.000 3.069 112 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.170 112 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.170 112 G C 0.767 175.660 174.900 -0.011 0.000 1.494 112 G CA -0.132 45.065 45.100 0.162 0.000 0.737 112 G HN 0.380 nan 8.290 nan 0.000 0.992 113 N N -0.695 117.996 118.700 -0.016 0.000 2.349 113 N HA 0.111 4.851 4.740 -0.001 0.000 0.180 113 N C 1.624 177.178 175.510 0.074 0.000 1.024 113 N CA 0.233 53.270 53.050 -0.021 0.000 0.869 113 N CB 0.020 38.511 38.487 0.006 0.000 1.022 113 N HN 0.179 nan 8.380 nan 0.000 0.433 114 Y N -0.429 119.865 120.300 -0.010 0.000 2.421 114 Y HA 0.002 4.551 4.550 -0.001 0.000 0.292 114 Y C 0.737 176.300 175.900 -0.560 0.000 1.136 114 Y CA 1.380 59.349 58.100 -0.218 0.000 1.255 114 Y CB 0.139 38.419 38.460 -0.301 0.000 0.991 114 Y HN 0.030 nan 8.280 nan 0.000 0.552 115 F N -3.325 116.631 119.950 0.010 0.000 2.699 115 F HA 0.059 4.585 4.527 -0.001 0.000 0.295 115 F C 2.183 177.707 175.800 -0.461 0.000 1.052 115 F CA 0.171 58.001 58.000 -0.284 0.000 1.239 115 F CB -0.417 38.181 39.000 -0.671 0.000 1.018 115 F HN -0.184 nan 8.300 nan 0.000 0.627 116 M N 1.409 120.956 119.600 -0.088 0.000 2.110 116 M HA -0.178 4.302 4.480 -0.001 0.000 0.257 116 M C -1.045 175.211 176.300 -0.073 0.000 1.071 116 M CA 2.581 57.835 55.300 -0.077 0.000 1.096 116 M CB -1.189 31.409 32.600 -0.003 0.000 1.300 116 M HN -0.118 nan 8.290 nan 0.000 0.411 117 P HA -0.170 nan 4.420 nan 0.000 0.215 117 P C 1.462 178.719 177.300 -0.072 0.000 1.157 117 P CA 1.499 64.439 63.100 -0.266 0.000 0.874 117 P CB -0.300 30.985 31.700 -0.690 0.000 0.790 118 L N -2.417 118.804 121.223 -0.004 0.000 2.191 118 L HA -0.183 4.157 4.340 -0.001 0.000 0.212 118 L C 2.317 179.379 176.870 0.321 0.000 1.103 118 L CA 1.401 56.380 54.840 0.231 0.000 0.769 118 L CB -1.325 40.802 42.059 0.113 0.000 0.908 118 L HN 0.121 nan 8.230 nan 0.000 0.438 119 H N 0.717 119.826 119.070 0.065 0.000 2.389 119 H HA -0.016 4.539 4.556 -0.001 0.000 0.299 119 H C 1.917 177.191 175.328 -0.089 0.000 1.081 119 H CA 1.224 57.309 56.048 0.061 0.000 1.345 119 H CB -0.095 29.782 29.762 0.191 0.000 1.393 119 H HN 0.472 nan 8.280 nan 0.000 0.520 120 I N -3.469 117.076 120.570 -0.041 0.000 3.891 120 I HA 0.402 4.572 4.170 -0.001 0.000 0.331 120 I C 0.751 176.629 176.117 -0.399 0.000 1.406 120 I CA 0.158 61.275 61.300 -0.305 0.000 1.139 120 I CB 0.034 37.816 38.000 -0.363 0.000 1.056 120 I HN 0.144 nan 8.210 nan 0.000 0.399 121 G N 2.179 110.773 108.800 -0.344 0.000 2.359 121 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.298 121 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.298 121 G C 0.106 174.669 174.900 -0.561 0.000 1.030 121 G CA 0.196 44.846 45.100 -0.751 0.000 1.149 121 G HN 0.961 nan 8.290 nan 0.000 0.512 122 A N 0.738 123.468 122.820 -0.151 0.000 2.288 122 A HA 0.864 5.183 4.320 -0.001 0.000 0.320 122 A C -0.556 177.127 177.584 0.164 0.000 1.217 122 A CA -1.330 50.661 52.037 -0.077 0.000 0.840 122 A CB 1.436 20.347 19.000 -0.149 0.000 1.179 122 A HN 0.106 nan 8.150 nan 0.000 0.504 123 P HA -0.107 nan 4.420 nan 0.000 0.216 123 P C 0.242 177.569 177.300 0.045 0.000 1.153 123 P CA 1.539 64.724 63.100 0.142 0.000 0.858 123 P CB 0.368 32.094 31.700 0.043 0.000 0.789 124 D N -3.765 116.619 120.400 -0.026 0.000 3.435 124 D HA 0.256 4.896 4.640 -0.001 0.000 0.352 124 D C -0.945 175.280 176.300 -0.125 0.000 1.460 124 D CA -0.440 53.527 54.000 -0.056 0.000 0.935 124 D CB 0.435 41.222 40.800 -0.021 0.000 1.468 124 D HN -0.243 nan 8.370 nan 0.000 0.573 125 M N 1.372 120.917 119.600 -0.093 0.000 2.243 125 M HA 0.441 4.921 4.480 -0.001 0.000 0.324 125 M C 1.047 177.339 176.300 -0.013 0.000 1.031 125 M CA -0.531 54.712 55.300 -0.095 0.000 0.949 125 M CB 1.929 34.458 32.600 -0.117 0.000 1.615 125 M HN 0.584 nan 8.290 nan 0.000 0.430 126 A N 4.395 127.211 122.820 -0.006 0.000 1.899 126 A HA -0.194 4.126 4.320 -0.001 0.000 0.230 126 A C 0.653 178.520 177.584 0.472 0.000 1.593 126 A CA 1.931 54.069 52.037 0.169 0.000 0.728 126 A CB -0.870 18.155 19.000 0.043 0.000 0.848 126 A HN 0.778 nan 8.150 nan 0.000 0.490 127 F N -0.198 119.731 119.950 -0.036 0.000 2.307 127 F HA 0.275 4.801 4.527 -0.001 0.000 0.369 127 F C -1.559 174.229 175.800 -0.020 0.000 1.076 127 F CA -2.087 55.900 58.000 -0.023 0.000 1.149 127 F CB 1.377 40.370 39.000 -0.011 0.000 1.410 127 F HN 0.211 nan 8.300 nan 0.000 0.481 128 P HA -0.112 nan 4.420 nan 0.000 0.224 128 P C 1.255 178.596 177.300 0.068 0.000 1.157 128 P CA 0.924 64.063 63.100 0.066 0.000 0.799 128 P CB 0.073 31.784 31.700 0.017 0.000 0.809 129 R N -0.074 120.469 120.500 0.071 0.000 2.103 129 R HA -0.120 4.219 4.340 -0.001 0.000 0.242 129 R C 2.273 178.634 176.300 0.102 0.000 1.142 129 R CA 1.282 57.420 56.100 0.062 0.000 0.960 129 R CB -1.681 28.636 30.300 0.029 0.000 0.858 129 R HN 0.179 nan 8.270 nan 0.000 0.439 130 L N 1.205 122.513 121.223 0.142 0.000 2.127 130 L HA 0.052 4.391 4.340 -0.001 0.000 0.203 130 L C 1.918 178.873 176.870 0.141 0.000 1.080 130 L CA 1.494 56.434 54.840 0.166 0.000 0.768 130 L CB -0.417 41.795 42.059 0.255 0.000 0.924 130 L HN 0.196 nan 8.230 nan 0.000 0.444 131 N N -0.653 118.115 118.700 0.113 0.000 2.405 131 N HA -0.239 4.501 4.740 -0.001 0.000 0.189 131 N C 1.530 177.104 175.510 0.107 0.000 1.021 131 N CA 1.408 54.508 53.050 0.083 0.000 0.891 131 N CB -0.045 38.469 38.487 0.045 0.000 0.955 131 N HN 0.459 nan 8.380 nan 0.000 0.443 132 N N -0.958 117.807 118.700 0.110 0.000 2.463 132 N HA -0.012 4.728 4.740 -0.001 0.000 0.183 132 N C 1.164 176.791 175.510 0.196 0.000 1.064 132 N CA -0.048 53.063 53.050 0.102 0.000 0.879 132 N CB 0.218 38.759 38.487 0.089 0.000 1.148 132 N HN 0.111 nan 8.380 nan 0.000 0.451 133 L N 1.756 123.112 121.223 0.221 0.000 2.265 133 L HA -0.053 4.287 4.340 -0.001 0.000 0.215 133 L C 2.244 179.257 176.870 0.237 0.000 1.117 133 L CA 1.423 56.417 54.840 0.256 0.000 0.782 133 L CB -0.658 41.519 42.059 0.197 0.000 0.914 133 L HN 0.099 nan 8.230 nan 0.000 0.441 134 S N -2.152 113.677 115.700 0.215 0.000 2.428 134 S HA -0.219 4.251 4.470 -0.001 0.000 0.230 134 S C 2.062 176.830 174.600 0.279 0.000 1.014 134 S CA 0.915 59.258 58.200 0.238 0.000 0.957 134 S CB -0.868 62.465 63.200 0.222 0.000 0.784 134 S HN 0.599 nan 8.310 nan 0.000 0.499 135 Y N 0.506 120.840 120.300 0.056 0.000 2.231 135 Y HA 0.189 4.739 4.550 -0.001 0.000 0.294 135 Y C 1.852 177.661 175.900 -0.153 0.000 1.120 135 Y CA 0.761 58.718 58.100 -0.239 0.000 1.141 135 Y CB -0.466 37.562 38.460 -0.719 0.000 1.022 135 Y HN 0.255 nan 8.280 nan 0.000 0.523 136 W N -0.230 121.133 121.300 0.104 0.000 2.392 136 W HA -0.221 4.439 4.660 -0.001 0.000 0.279 136 W C 2.060 178.556 176.519 -0.038 0.000 1.225 136 W CA 0.372 57.730 57.345 0.021 0.000 1.233 136 W CB 0.012 29.549 29.460 0.129 0.000 1.122 136 W HN 0.098 nan 8.180 nan 0.000 0.561 137 M N -1.230 118.517 119.600 0.245 0.000 2.236 137 M HA -0.164 4.316 4.480 -0.001 0.000 0.266 137 M C 1.979 178.401 176.300 0.204 0.000 1.070 137 M CA 1.197 56.621 55.300 0.207 0.000 1.137 137 M CB -1.814 30.913 32.600 0.212 0.000 1.378 137 M HN 0.125 nan 8.290 nan 0.000 0.426 138 Y N 2.080 122.384 120.300 0.006 0.000 2.193 138 Y HA -0.194 4.356 4.550 -0.001 0.000 0.285 138 Y C 2.274 178.150 175.900 -0.041 0.000 1.166 138 Y CA 1.884 59.990 58.100 0.011 0.000 1.181 138 Y CB -0.962 37.445 38.460 -0.089 0.000 0.976 138 Y HN 0.107 nan 8.280 nan 0.000 0.520 139 V N -1.375 118.299 119.914 -0.399 0.000 2.719 139 V HA -0.132 3.987 4.120 -0.001 0.000 0.252 139 V C 2.392 178.430 176.094 -0.093 0.000 1.065 139 V CA 1.623 63.708 62.300 -0.359 0.000 1.086 139 V CB -1.480 30.206 31.823 -0.228 0.000 0.700 139 V HN 0.559 nan 8.190 nan 0.000 0.467 140 C N 1.669 120.986 119.300 0.028 0.000 2.422 140 C HA 0.117 4.577 4.460 -0.001 0.000 0.286 140 C C 2.693 177.719 174.990 0.060 0.000 1.412 140 C CA 0.960 60.014 59.018 0.059 0.000 1.786 140 C CB -1.946 25.853 27.740 0.099 0.000 1.835 140 C HN 0.727 nan 8.230 nan 0.000 0.533 141 G N -0.345 108.507 108.800 0.087 0.000 2.437 141 G HA2 0.001 3.960 3.960 -0.001 0.000 0.212 141 G HA3 0.001 3.960 3.960 -0.001 0.000 0.212 141 G C 1.659 176.334 174.900 -0.375 0.000 1.174 141 G CA 0.992 46.153 45.100 0.103 0.000 0.811 141 G HN 0.385 nan 8.290 nan 0.000 0.537 142 V N 1.783 121.409 119.914 -0.480 0.000 2.407 142 V HA -0.125 3.995 4.120 -0.001 0.000 0.248 142 V C 3.254 179.188 176.094 -0.266 0.000 1.055 142 V CA 1.989 63.961 62.300 -0.548 0.000 1.049 142 V CB -0.712 30.892 31.823 -0.365 0.000 0.662 142 V HN 0.457 nan 8.190 nan 0.000 0.455 143 A N -0.224 122.504 122.820 -0.153 0.000 1.855 143 A HA -0.137 4.183 4.320 -0.001 0.000 0.215 143 A C 2.092 179.659 177.584 -0.028 0.000 1.191 143 A CA 1.702 53.702 52.037 -0.061 0.000 0.613 143 A CB -0.617 18.369 19.000 -0.024 0.000 0.829 143 A HN 0.407 nan 8.150 nan 0.000 0.442 144 L N 0.134 121.352 121.223 -0.009 0.000 2.275 144 L HA 0.017 4.356 4.340 -0.001 0.000 0.215 144 L C 2.290 179.204 176.870 0.073 0.000 1.119 144 L CA 1.602 56.476 54.840 0.057 0.000 0.790 144 L CB -0.914 41.210 42.059 0.107 0.000 0.919 144 L HN 0.366 nan 8.230 nan 0.000 0.443 145 G N -1.874 106.912 108.800 -0.023 0.000 2.395 145 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.214 145 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.214 145 G C 1.506 176.473 174.900 0.113 0.000 1.177 145 G CA 0.700 45.813 45.100 0.023 0.000 0.794 145 G HN 0.222 nan 8.290 nan 0.000 0.532 146 V N 1.649 121.579 119.914 0.027 0.000 2.626 146 V HA -0.068 4.051 4.120 -0.001 0.000 0.252 146 V C 3.224 179.343 176.094 0.043 0.000 1.067 146 V CA 1.684 64.008 62.300 0.040 0.000 1.081 146 V CB -0.440 31.396 31.823 0.022 0.000 0.686 146 V HN 0.463 nan 8.190 nan 0.000 0.468 147 A N -0.571 122.287 122.820 0.063 0.000 1.877 147 A HA -0.235 4.084 4.320 -0.001 0.000 0.216 147 A C 2.568 180.226 177.584 0.123 0.000 1.186 147 A CA 2.163 54.251 52.037 0.085 0.000 0.620 147 A CB -0.813 18.243 19.000 0.092 0.000 0.822 147 A HN 0.490 nan 8.150 nan 0.000 0.443 148 S N -0.648 115.157 115.700 0.175 0.000 2.370 148 S HA -0.163 4.307 4.470 -0.001 0.000 0.226 148 S C 1.963 176.669 174.600 0.176 0.000 1.033 148 S CA 1.581 59.935 58.200 0.257 0.000 1.011 148 S CB -0.496 62.925 63.200 0.368 0.000 0.852 148 S HN 0.495 nan 8.310 nan 0.000 0.457 149 L N 1.692 122.890 121.223 -0.041 0.000 1.989 149 L HA 0.011 4.350 4.340 -0.001 0.000 0.211 149 L C 1.989 178.734 176.870 -0.208 0.000 1.071 149 L CA 1.902 56.437 54.840 -0.509 0.000 0.749 149 L CB -1.316 40.446 42.059 -0.494 0.000 0.890 149 L HN 0.336 nan 8.230 nan 0.000 0.431 150 L N -0.076 121.102 121.223 -0.075 0.000 2.395 150 L HA 0.153 4.492 4.340 -0.001 0.000 0.218 150 L C 1.466 178.345 176.870 0.014 0.000 1.130 150 L CA 0.909 55.733 54.840 -0.026 0.000 0.826 150 L CB -1.950 40.112 42.059 0.005 0.000 0.941 150 L HN 0.334 nan 8.230 nan 0.000 0.451 151 A N 0.837 123.695 122.820 0.063 0.000 2.483 151 A HA 0.231 4.551 4.320 -0.001 0.000 0.238 151 A C -1.955 175.607 177.584 -0.037 0.000 1.070 151 A CA -0.638 51.458 52.037 0.098 0.000 0.770 151 A CB -0.533 18.618 19.000 0.252 0.000 1.008 151 A HN 0.058 nan 8.150 nan 0.000 0.497 152 P HA 0.326 nan 4.420 nan 0.000 0.268 152 P C -0.067 177.022 177.300 -0.350 0.000 1.541 152 P CA 0.677 63.607 63.100 -0.282 0.000 1.093 152 P CB 0.570 32.049 31.700 -0.368 0.000 1.551 153 G N 1.721 110.442 108.800 -0.130 0.000 2.731 153 G HA2 0.663 4.623 3.960 -0.001 0.000 0.298 153 G HA3 0.663 4.623 3.960 -0.001 0.000 0.298 153 G C -0.470 174.484 174.900 0.090 0.000 1.424 153 G CA -0.345 44.729 45.100 -0.043 0.000 1.029 153 G HN 0.605 nan 8.290 nan 0.000 0.518 154 G N 0.749 109.612 108.800 0.105 0.000 2.422 154 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.607 154 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.607 154 G C -0.026 174.962 174.900 0.147 0.000 1.270 154 G CA -0.395 44.853 45.100 0.246 0.000 0.992 154 G HN 1.536 nan 8.290 nan 0.000 0.499 155 N N 0.321 119.137 118.700 0.194 0.000 2.454 155 N HA 0.275 5.015 4.740 -0.001 0.000 0.285 155 N C -0.429 175.066 175.510 -0.024 0.000 1.233 155 N CA 0.405 53.501 53.050 0.076 0.000 1.036 155 N CB 0.266 38.817 38.487 0.107 0.000 1.423 155 N HN 0.590 nan 8.380 nan 0.000 0.495 156 D N 0.556 120.935 120.400 -0.035 0.000 2.713 156 D HA -0.187 4.452 4.640 -0.001 0.000 0.231 156 D C -0.670 175.556 176.300 -0.124 0.000 1.173 156 D CA 1.277 55.238 54.000 -0.065 0.000 0.628 156 D CB -0.378 40.397 40.800 -0.042 0.000 1.033 156 D HN 0.638 nan 8.370 nan 0.000 0.419 157 Q N -0.824 118.860 119.800 -0.193 0.000 2.389 157 Q HA 0.537 4.877 4.340 -0.001 0.000 0.277 157 Q C 0.006 175.880 176.000 -0.210 0.000 1.082 157 Q CA -0.935 54.665 55.803 -0.338 0.000 0.810 157 Q CB 1.790 29.965 28.738 -0.938 0.000 1.374 157 Q HN 0.319 nan 8.270 nan 0.000 0.422 158 M N -0.693 118.820 119.600 -0.145 0.000 2.216 158 M HA 0.748 5.227 4.480 -0.001 0.000 0.356 158 M C 0.365 176.683 176.300 0.030 0.000 1.205 158 M CA 0.045 55.312 55.300 -0.055 0.000 1.122 158 M CB 1.165 33.732 32.600 -0.056 0.000 1.571 158 M HN 0.581 nan 8.290 nan 0.000 0.464 159 G N 1.336 110.187 108.800 0.084 0.000 3.055 159 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.686 159 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.686 159 G C -0.794 174.309 174.900 0.337 0.000 1.087 159 G CA -0.511 44.689 45.100 0.167 0.000 0.779 159 G HN 0.980 nan 8.290 nan 0.000 0.599 160 S N 1.142 117.062 115.700 0.368 0.000 2.642 160 S HA 0.588 5.058 4.470 -0.001 0.000 0.309 160 S C 1.026 175.705 174.600 0.132 0.000 1.125 160 S CA 0.435 58.762 58.200 0.211 0.000 1.055 160 S CB -0.089 63.193 63.200 0.136 0.000 1.157 160 S HN 1.765 nan 8.310 nan 0.000 0.513 161 G N 2.256 111.063 108.800 0.012 0.000 2.349 161 G HA2 0.481 4.440 3.960 -0.001 0.000 0.281 161 G HA3 0.481 4.440 3.960 -0.001 0.000 0.281 161 G C 0.294 175.142 174.900 -0.088 0.000 1.182 161 G CA -0.532 44.534 45.100 -0.057 0.000 0.899 161 G HN 0.999 nan 8.290 nan 0.000 0.455 162 V N -0.138 119.733 119.914 -0.072 0.000 3.899 162 V HA 0.604 4.723 4.120 -0.001 0.000 0.397 162 V C 0.680 176.727 176.094 -0.079 0.000 1.633 162 V CA -0.083 62.178 62.300 -0.065 0.000 1.575 162 V CB -0.541 31.241 31.823 -0.068 0.000 1.066 162 V HN 1.999 nan 8.190 nan 0.000 0.504 163 G N 1.078 109.843 108.800 -0.059 0.000 2.777 163 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.686 163 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.686 163 G C 0.223 175.091 174.900 -0.053 0.000 1.177 163 G CA 0.099 45.165 45.100 -0.057 0.000 0.775 163 G HN 1.332 nan 8.290 nan 0.000 0.613 164 W N 1.421 122.648 121.300 -0.121 0.000 2.341 164 W HA -0.101 4.558 4.660 -0.001 0.000 0.283 164 W C 1.442 177.901 176.519 -0.100 0.000 1.215 164 W CA 2.245 59.520 57.345 -0.116 0.000 1.211 164 W CB -0.807 28.601 29.460 -0.087 0.000 1.131 164 W HN 1.139 nan 8.180 nan 0.000 0.552 165 V N -0.079 119.447 119.914 -0.645 0.000 3.596 165 V HA 0.205 4.324 4.120 -0.001 0.000 0.289 165 V C 1.052 177.024 176.094 -0.204 0.000 1.336 165 V CA -0.195 61.689 62.300 -0.694 0.000 1.137 165 V CB -1.321 29.784 31.823 -1.196 0.000 0.966 165 V HN 0.216 nan 8.190 nan 0.000 0.428 166 L N -0.669 120.461 121.223 -0.155 0.000 3.790 166 L HA -0.198 4.141 4.340 -0.001 0.000 0.602 166 L C -0.519 176.359 176.870 0.014 0.000 1.172 166 L CA 0.230 55.028 54.840 -0.070 0.000 0.901 166 L CB -2.386 39.630 42.059 -0.073 0.000 1.342 166 L HN 0.288 nan 8.230 nan 0.000 0.820 167 Y N 1.991 122.194 120.300 -0.161 0.000 2.335 167 Y HA 0.491 5.041 4.550 -0.001 0.000 0.331 167 Y C -1.376 174.374 175.900 -0.251 0.000 1.094 167 Y CA -2.885 55.094 58.100 -0.202 0.000 1.253 167 Y CB 0.772 39.199 38.460 -0.056 0.000 1.203 167 Y HN 0.204 nan 8.280 nan 0.000 0.508 168 P HA 0.293 nan 4.420 nan 0.000 0.281 168 P C -2.384 174.895 177.300 -0.035 0.000 1.264 168 P CA -2.038 60.976 63.100 -0.142 0.000 0.824 168 P CB 1.528 33.116 31.700 -0.187 0.000 1.092 169 P HA 0.052 nan 4.420 nan 0.000 0.245 169 P C 1.388 178.708 177.300 0.033 0.000 1.212 169 P CA 0.057 63.186 63.100 0.049 0.000 0.774 169 P CB -0.111 31.629 31.700 0.066 0.000 0.999 170 L N -0.504 120.736 121.223 0.028 0.000 2.079 170 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 170 L C 1.986 178.858 176.870 0.004 0.000 1.081 170 L CA 2.055 56.910 54.840 0.025 0.000 0.752 170 L CB -1.153 40.927 42.059 0.035 0.000 0.896 170 L HN -0.111 nan 8.230 nan 0.000 0.433 171 S N -1.379 114.308 115.700 -0.022 0.000 2.336 171 S HA -0.127 4.342 4.470 -0.001 0.000 0.216 171 S C 1.704 176.296 174.600 -0.014 0.000 1.032 171 S CA 1.512 59.687 58.200 -0.041 0.000 0.973 171 S CB -0.532 62.605 63.200 -0.105 0.000 0.888 171 S HN 0.509 nan 8.310 nan 0.000 0.455 172 T N 2.156 116.711 114.554 0.002 0.000 2.918 172 T HA -0.116 4.234 4.350 -0.001 0.000 0.271 172 T C 1.996 176.716 174.700 0.033 0.000 1.104 172 T CA 1.715 63.835 62.100 0.034 0.000 1.114 172 T CB -0.536 68.379 68.868 0.078 0.000 0.855 172 T HN 0.752 nan 8.240 nan 0.000 0.518 173 T N -1.257 113.314 114.554 0.029 0.000 3.042 173 T HA 0.184 4.534 4.350 -0.001 0.000 0.245 173 T C 0.749 175.468 174.700 0.031 0.000 1.029 173 T CA -0.188 61.931 62.100 0.032 0.000 1.120 173 T CB -0.159 68.731 68.868 0.036 0.000 0.917 173 T HN 0.335 nan 8.240 nan 0.000 0.467 174 E N 1.710 121.926 120.200 0.028 0.000 2.892 174 E HA 0.241 4.591 4.350 -0.001 0.000 0.273 174 E C 0.371 176.995 176.600 0.041 0.000 0.921 174 E CA 0.153 56.574 56.400 0.036 0.000 0.968 174 E CB 0.163 29.881 29.700 0.029 0.000 0.941 174 E HN 0.640 nan 8.360 nan 0.000 0.492 175 A N 3.549 126.397 122.820 0.048 0.000 2.251 175 A HA 0.647 4.966 4.320 -0.001 0.000 0.278 175 A C 1.116 178.706 177.584 0.010 0.000 1.206 175 A CA 0.096 52.151 52.037 0.031 0.000 0.822 175 A CB -0.277 18.740 19.000 0.027 0.000 1.187 175 A HN 1.171 nan 8.150 nan 0.000 0.504 176 G N -1.121 107.660 108.800 -0.033 0.000 2.550 176 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.277 176 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.277 176 G C 0.207 175.080 174.900 -0.045 0.000 1.190 176 G CA 1.533 46.546 45.100 -0.146 0.000 0.971 176 G HN 2.318 nan 8.290 nan 0.000 0.559 177 Y N -3.244 117.086 120.300 0.049 0.000 2.926 177 Y HA 0.599 5.148 4.550 -0.001 0.000 0.279 177 Y C 2.057 177.994 175.900 0.062 0.000 1.035 177 Y CA 0.962 59.089 58.100 0.045 0.000 1.268 177 Y CB -0.492 37.993 38.460 0.042 0.000 1.392 177 Y HN 0.922 nan 8.280 nan 0.000 0.585 178 S N 1.088 116.928 115.700 0.233 0.000 2.402 178 S HA -0.193 4.277 4.470 -0.001 0.000 0.233 178 S C 1.877 176.602 174.600 0.208 0.000 1.030 178 S CA 1.873 60.224 58.200 0.252 0.000 1.003 178 S CB -0.207 63.109 63.200 0.192 0.000 0.813 178 S HN 0.522 nan 8.310 nan 0.000 0.477 179 M N 1.689 121.370 119.600 0.135 0.000 2.132 179 M HA -0.058 4.421 4.480 -0.001 0.000 0.263 179 M C 1.719 178.027 176.300 0.014 0.000 1.065 179 M CA 1.465 56.795 55.300 0.051 0.000 1.122 179 M CB -1.408 31.201 32.600 0.015 0.000 1.365 179 M HN 0.438 nan 8.290 nan 0.000 0.411 180 D N 0.163 120.584 120.400 0.036 0.000 2.158 180 D HA -0.198 4.442 4.640 -0.001 0.000 0.197 180 D C 1.941 178.206 176.300 -0.059 0.000 0.995 180 D CA 1.276 55.236 54.000 -0.067 0.000 0.846 180 D CB -0.056 40.757 40.800 0.022 0.000 0.941 180 D HN 0.255 nan 8.370 nan 0.000 0.456 181 L N 1.038 122.340 121.223 0.131 0.000 2.109 181 L HA -0.057 4.282 4.340 -0.001 0.000 0.207 181 L C 2.563 179.538 176.870 0.174 0.000 1.086 181 L CA 1.026 55.998 54.840 0.220 0.000 0.760 181 L CB -0.772 41.428 42.059 0.235 0.000 0.910 181 L HN -0.070 nan 8.230 nan 0.000 0.437 182 A N -0.124 122.761 122.820 0.109 0.000 1.865 182 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 182 A C 2.324 179.899 177.584 -0.015 0.000 1.191 182 A CA 1.888 53.955 52.037 0.050 0.000 0.623 182 A CB -0.811 18.169 19.000 -0.033 0.000 0.826 182 A HN 0.336 nan 8.150 nan 0.000 0.444 183 I N -1.553 118.965 120.570 -0.087 0.000 2.118 183 I HA -0.331 3.838 4.170 -0.001 0.000 0.241 183 I C 2.448 178.567 176.117 0.004 0.000 1.070 183 I CA 1.913 63.129 61.300 -0.140 0.000 1.327 183 I CB -0.505 37.333 38.000 -0.271 0.000 1.034 183 I HN 0.400 nan 8.210 nan 0.000 0.405 184 F N 0.576 120.613 119.950 0.145 0.000 2.134 184 F HA -0.250 4.277 4.527 -0.001 0.000 0.299 184 F C 2.693 178.600 175.800 0.178 0.000 1.097 184 F CA 0.845 58.947 58.000 0.170 0.000 1.264 184 F CB -0.460 38.602 39.000 0.102 0.000 1.001 184 F HN 0.051 nan 8.300 nan 0.000 0.479 185 A N -0.115 122.904 122.820 0.331 0.000 1.948 185 A HA -0.168 4.151 4.320 -0.001 0.000 0.220 185 A C 2.284 180.103 177.584 0.391 0.000 1.177 185 A CA 1.920 54.159 52.037 0.336 0.000 0.636 185 A CB -1.178 17.993 19.000 0.286 0.000 0.815 185 A HN 0.204 nan 8.150 nan 0.000 0.449 186 V N -0.995 118.993 119.914 0.123 0.000 2.244 186 V HA -0.276 3.843 4.120 -0.001 0.000 0.244 186 V C 2.305 178.490 176.094 0.153 0.000 1.042 186 V CA 2.384 64.607 62.300 -0.129 0.000 1.006 186 V CB -1.001 30.546 31.823 -0.460 0.000 0.641 186 V HN 0.769 nan 8.190 nan 0.000 0.446 187 H N -0.774 118.369 119.070 0.121 0.000 2.321 187 H HA -0.198 4.357 4.556 -0.001 0.000 0.295 187 H C 2.169 177.604 175.328 0.179 0.000 1.102 187 H CA 2.211 58.350 56.048 0.151 0.000 1.266 187 H CB -0.005 29.893 29.762 0.226 0.000 1.363 187 H HN 0.233 nan 8.280 nan 0.000 0.492 188 V N -0.761 119.377 119.914 0.374 0.000 2.548 188 V HA -0.219 3.900 4.120 -0.001 0.000 0.249 188 V C 2.441 178.724 176.094 0.315 0.000 1.055 188 V CA 1.651 64.128 62.300 0.295 0.000 1.065 188 V CB -0.275 31.701 31.823 0.255 0.000 0.681 188 V HN 0.425 nan 8.190 nan 0.000 0.462 189 S N 0.801 116.729 115.700 0.380 0.000 2.345 189 S HA -0.117 4.353 4.470 -0.001 0.000 0.220 189 S C 2.138 176.868 174.600 0.217 0.000 1.031 189 S CA 1.791 60.213 58.200 0.371 0.000 0.996 189 S CB -0.616 62.766 63.200 0.302 0.000 0.882 189 S HN 0.593 nan 8.310 nan 0.000 0.445 190 G N 0.799 109.706 108.800 0.178 0.000 2.432 190 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.219 190 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.219 190 G C 1.649 176.614 174.900 0.109 0.000 1.135 190 G CA 1.044 46.193 45.100 0.081 0.000 0.767 190 G HN 0.703 nan 8.290 nan 0.000 0.550 191 A N 1.048 123.965 122.820 0.161 0.000 1.851 191 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 191 A C 2.678 180.350 177.584 0.146 0.000 1.195 191 A CA 2.664 54.791 52.037 0.152 0.000 0.622 191 A CB -1.199 17.901 19.000 0.166 0.000 0.831 191 A HN 0.592 nan 8.150 nan 0.000 0.444 192 S N -0.319 115.488 115.700 0.178 0.000 2.392 192 S HA -0.196 4.273 4.470 -0.001 0.000 0.232 192 S C 2.139 176.834 174.600 0.159 0.000 1.041 192 S CA 2.301 60.616 58.200 0.192 0.000 1.026 192 S CB -0.528 62.824 63.200 0.254 0.000 0.845 192 S HN 0.589 nan 8.310 nan 0.000 0.465 193 S N 1.028 116.804 115.700 0.127 0.000 2.368 193 S HA 0.067 4.537 4.470 -0.001 0.000 0.224 193 S C 1.760 176.431 174.600 0.118 0.000 1.029 193 S CA 1.264 59.536 58.200 0.119 0.000 0.988 193 S CB -0.458 62.756 63.200 0.024 0.000 0.838 193 S HN 0.535 nan 8.310 nan 0.000 0.462 194 I N 1.531 122.149 120.570 0.080 0.000 2.142 194 I HA -0.209 3.961 4.170 -0.001 0.000 0.240 194 I C 2.185 178.337 176.117 0.058 0.000 1.078 194 I CA 1.149 62.485 61.300 0.059 0.000 1.343 194 I CB -0.360 37.677 38.000 0.062 0.000 1.046 194 I HN 0.218 nan 8.210 nan 0.000 0.405 195 L N 0.173 121.445 121.223 0.082 0.000 1.997 195 L HA -0.244 4.095 4.340 -0.001 0.000 0.216 195 L C 2.588 179.481 176.870 0.039 0.000 1.074 195 L CA 1.920 56.808 54.840 0.079 0.000 0.763 195 L CB -1.233 40.895 42.059 0.117 0.000 0.890 195 L HN 0.385 nan 8.230 nan 0.000 0.434 196 G N -1.167 107.664 108.800 0.052 0.000 2.432 196 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.219 196 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.219 196 G C 1.699 176.578 174.900 -0.036 0.000 1.135 196 G CA 0.762 45.837 45.100 -0.042 0.000 0.767 196 G HN 0.500 nan 8.290 nan 0.000 0.550 197 A N 0.662 123.534 122.820 0.087 0.000 1.897 197 A HA 0.155 4.474 4.320 -0.001 0.000 0.215 197 A C 2.357 179.860 177.584 -0.135 0.000 1.181 197 A CA 0.947 53.014 52.037 0.049 0.000 0.620 197 A CB -0.303 18.702 19.000 0.010 0.000 0.821 197 A HN 0.339 nan 8.150 nan 0.000 0.443 198 I N 0.137 120.628 120.570 -0.132 0.000 2.163 198 I HA -0.319 3.851 4.170 -0.001 0.000 0.243 198 I C 2.553 178.470 176.117 -0.333 0.000 1.085 198 I CA 1.820 63.001 61.300 -0.199 0.000 1.347 198 I CB -0.373 37.573 38.000 -0.091 0.000 1.044 198 I HN 0.585 nan 8.210 nan 0.000 0.408 199 N N 1.105 119.617 118.700 -0.315 0.000 2.080 199 N HA -0.195 4.544 4.740 -0.001 0.000 0.189 199 N C 2.086 177.417 175.510 -0.299 0.000 1.036 199 N CA 1.057 53.856 53.050 -0.418 0.000 0.846 199 N CB 0.172 38.509 38.487 -0.250 0.000 1.015 199 N HN 0.119 nan 8.380 nan 0.000 0.423 200 I N 2.109 122.558 120.570 -0.200 0.000 2.087 200 I HA -0.328 3.842 4.170 -0.001 0.000 0.240 200 I C 2.409 178.501 176.117 -0.042 0.000 1.054 200 I CA 1.357 62.587 61.300 -0.117 0.000 1.311 200 I CB -1.144 36.835 38.000 -0.035 0.000 1.024 200 I HN 0.272 nan 8.210 nan 0.000 0.402 201 I N 0.433 120.954 120.570 -0.083 0.000 2.091 201 I HA -0.354 3.816 4.170 -0.001 0.000 0.239 201 I C 2.537 178.675 176.117 0.035 0.000 1.061 201 I CA 2.077 63.418 61.300 0.067 0.000 1.317 201 I CB -1.070 36.738 38.000 -0.320 0.000 1.031 201 I HN 0.261 nan 8.210 nan 0.000 0.401 202 T N 0.133 114.599 114.554 -0.147 0.000 2.624 202 T HA -0.234 4.115 4.350 -0.001 0.000 0.268 202 T C 1.853 176.469 174.700 -0.140 0.000 1.041 202 T CA 2.348 64.344 62.100 -0.172 0.000 1.159 202 T CB -0.718 67.902 68.868 -0.413 0.000 0.863 202 T HN 0.405 nan 8.240 nan 0.000 0.434 203 T N 1.297 115.753 114.554 -0.163 0.000 2.867 203 T HA 0.014 4.364 4.350 -0.001 0.000 0.268 203 T C 1.520 176.125 174.700 -0.158 0.000 1.057 203 T CA 0.790 62.801 62.100 -0.148 0.000 1.136 203 T CB -0.437 68.340 68.868 -0.152 0.000 0.874 203 T HN 0.378 nan 8.240 nan 0.000 0.466 204 F N 1.270 121.054 119.950 -0.276 0.000 2.206 204 F HA 0.148 4.674 4.527 -0.001 0.000 0.298 204 F C 1.725 177.228 175.800 -0.494 0.000 1.090 204 F CA 0.979 58.725 58.000 -0.424 0.000 1.323 204 F CB -0.193 38.456 39.000 -0.584 0.000 1.028 204 F HN 0.037 nan 8.300 nan 0.000 0.492 205 L N -0.479 120.502 121.223 -0.404 0.000 2.249 205 L HA -0.024 4.316 4.340 -0.001 0.000 0.207 205 L C 1.922 178.613 176.870 -0.297 0.000 1.090 205 L CA 1.055 55.662 54.840 -0.387 0.000 0.802 205 L CB -0.581 41.409 42.059 -0.114 0.000 0.947 205 L HN 0.173 nan 8.230 nan 0.000 0.453 206 N N 0.513 119.081 118.700 -0.221 0.000 2.245 206 N HA -0.008 4.732 4.740 -0.001 0.000 0.185 206 N C 1.184 176.581 175.510 -0.189 0.000 1.036 206 N CA 0.734 53.689 53.050 -0.159 0.000 0.857 206 N CB 0.074 38.507 38.487 -0.090 0.000 1.015 206 N HN 0.049 nan 8.380 nan 0.000 0.436 207 M N 1.316 120.793 119.600 -0.205 0.000 3.376 207 M HA 0.193 4.673 4.480 -0.001 0.000 0.218 207 M C -0.397 175.738 176.300 -0.276 0.000 1.295 207 M CA 0.080 55.259 55.300 -0.201 0.000 1.386 207 M CB 0.079 32.585 32.600 -0.158 0.000 1.205 207 M HN 0.021 nan 8.290 nan 0.000 0.496 208 R N 0.691 120.990 120.500 -0.335 0.000 2.500 208 R HA 0.658 4.998 4.340 -0.001 0.000 0.277 208 R C 0.163 176.258 176.300 -0.340 0.000 1.026 208 R CA -0.458 55.396 56.100 -0.410 0.000 1.058 208 R CB 1.100 31.094 30.300 -0.511 0.000 1.078 208 R HN 0.391 nan 8.270 nan 0.000 0.509 209 A N 3.489 126.066 122.820 -0.405 0.000 2.462 209 A HA 0.249 4.569 4.320 -0.001 0.000 0.243 209 A C -2.085 175.388 177.584 -0.186 0.000 1.076 209 A CA -1.230 50.614 52.037 -0.322 0.000 0.773 209 A CB -0.190 18.558 19.000 -0.419 0.000 1.010 209 A HN 0.404 nan 8.150 nan 0.000 0.493 210 P HA 0.228 nan 4.420 nan 0.000 0.261 210 P C 1.047 178.451 177.300 0.172 0.000 1.183 210 P CA 2.045 65.155 63.100 0.017 0.000 0.761 210 P CB 0.581 32.293 31.700 0.019 0.000 0.785 211 G N 3.151 112.045 108.800 0.157 0.000 2.232 211 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.226 211 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.226 211 G C 0.288 175.403 174.900 0.359 0.000 0.996 211 G CA -0.181 45.119 45.100 0.333 0.000 0.626 211 G HN 0.544 nan 8.290 nan 0.000 0.509 212 M N 3.697 123.278 119.600 -0.031 0.000 2.664 212 M HA 0.350 4.829 4.480 -0.001 0.000 0.332 212 M C 1.820 177.970 176.300 -0.251 0.000 1.354 212 M CA 0.567 55.649 55.300 -0.364 0.000 1.399 212 M CB 0.162 32.283 32.600 -0.798 0.000 1.224 212 M HN 0.471 nan 8.290 nan 0.000 0.479 213 T N 1.573 116.061 114.554 -0.109 0.000 2.845 213 T HA 0.000 4.350 4.350 -0.001 0.000 0.224 213 T C 1.147 175.714 174.700 -0.221 0.000 1.102 213 T CA 0.599 62.631 62.100 -0.114 0.000 1.937 213 T CB 0.140 69.005 68.868 -0.005 0.000 1.225 213 T HN 0.666 nan 8.240 nan 0.000 0.383 214 L N -2.128 118.997 121.223 -0.163 0.000 2.860 214 L HA 0.436 4.776 4.340 -0.001 0.000 0.251 214 L C 0.962 177.821 176.870 -0.019 0.000 1.041 214 L CA 0.101 54.781 54.840 -0.267 0.000 0.985 214 L CB 0.771 42.599 42.059 -0.384 0.000 1.656 214 L HN 0.288 nan 8.230 nan 0.000 0.526 215 F N -0.177 120.011 119.950 0.398 0.000 2.837 215 F HA 0.182 4.708 4.527 -0.001 0.000 0.298 215 F C 1.300 177.370 175.800 0.449 0.000 1.161 215 F CA -0.066 58.289 58.000 0.591 0.000 1.353 215 F CB 0.499 39.778 39.000 0.466 0.000 0.951 215 F HN -0.148 nan 8.300 nan 0.000 0.508 216 K N 0.127 120.746 120.400 0.366 0.000 2.477 216 K HA 0.229 4.548 4.320 -0.001 0.000 0.208 216 K C -0.173 176.464 176.600 0.061 0.000 1.117 216 K CA 0.339 56.741 56.287 0.192 0.000 1.039 216 K CB 0.505 33.142 32.500 0.228 0.000 0.937 216 K HN -0.013 nan 8.250 nan 0.000 0.570 217 V N 4.715 124.697 119.914 0.114 0.000 2.555 217 V HA 0.221 4.340 4.120 -0.001 0.000 0.286 217 V C -2.028 174.231 176.094 0.274 0.000 1.044 217 V CA -1.606 60.724 62.300 0.049 0.000 1.026 217 V CB 0.751 32.523 31.823 -0.085 0.000 0.981 217 V HN 0.226 nan 8.190 nan 0.000 0.480 218 P HA 0.058 nan 4.420 nan 0.000 0.268 218 P C 1.035 178.742 177.300 0.679 0.000 1.208 218 P CA -0.033 63.342 63.100 0.459 0.000 0.777 218 P CB 1.004 32.923 31.700 0.365 0.000 0.875 219 L N 1.141 122.803 121.223 0.733 0.000 2.127 219 L HA -0.175 4.164 4.340 -0.001 0.000 0.211 219 L C 2.397 179.561 176.870 0.489 0.000 1.089 219 L CA 1.525 56.709 54.840 0.574 0.000 0.757 219 L CB -0.674 41.581 42.059 0.327 0.000 0.899 219 L HN 0.342 nan 8.230 nan 0.000 0.434 220 F N 0.534 120.823 119.950 0.565 0.000 2.365 220 F HA -0.153 4.374 4.527 -0.001 0.000 0.300 220 F C 2.264 178.327 175.800 0.439 0.000 1.090 220 F CA 0.885 59.206 58.000 0.535 0.000 1.408 220 F CB 0.019 39.521 39.000 0.837 0.000 1.060 220 F HN 0.002 nan 8.300 nan 0.000 0.534 221 A N -0.140 122.936 122.820 0.427 0.000 1.854 221 A HA -0.148 4.171 4.320 -0.001 0.000 0.214 221 A C 2.041 179.588 177.584 -0.062 0.000 1.192 221 A CA 1.315 53.481 52.037 0.215 0.000 0.611 221 A CB -1.553 17.701 19.000 0.424 0.000 0.832 221 A HN 0.601 nan 8.150 nan 0.000 0.442 222 W N 1.325 122.658 121.300 0.054 0.000 2.317 222 W HA -0.273 4.386 4.660 -0.001 0.000 0.318 222 W C 3.011 179.482 176.519 -0.080 0.000 1.227 222 W CA 2.484 59.796 57.345 -0.056 0.000 1.269 222 W CB -0.303 29.250 29.460 0.155 0.000 1.155 222 W HN 0.496 nan 8.180 nan 0.000 0.484 223 S N -0.348 115.467 115.700 0.192 0.000 2.420 223 S HA -0.209 4.260 4.470 -0.001 0.000 0.237 223 S C 1.470 176.026 174.600 -0.073 0.000 1.023 223 S CA 1.705 59.933 58.200 0.047 0.000 0.991 223 S CB -1.042 62.155 63.200 -0.006 0.000 0.792 223 S HN 0.119 nan 8.310 nan 0.000 0.488 224 V N -0.007 119.813 119.914 -0.158 0.000 2.825 224 V HA 0.130 4.249 4.120 -0.001 0.000 0.246 224 V C 1.956 178.064 176.094 0.024 0.000 1.068 224 V CA 0.818 63.072 62.300 -0.076 0.000 1.088 224 V CB -1.016 30.724 31.823 -0.138 0.000 0.733 224 V HN 0.431 nan 8.190 nan 0.000 0.468 225 F N 1.771 121.541 119.950 -0.301 0.000 2.010 225 F HA -0.191 4.336 4.527 -0.001 0.000 0.296 225 F C 2.211 177.987 175.800 -0.040 0.000 1.146 225 F CA 1.640 59.428 58.000 -0.352 0.000 1.181 225 F CB -0.624 37.906 39.000 -0.785 0.000 0.965 225 F HN 0.029 nan 8.300 nan 0.000 0.480 226 I N -0.211 120.423 120.570 0.107 0.000 2.143 226 I HA -0.438 3.731 4.170 -0.001 0.000 0.245 226 I C 2.194 178.328 176.117 0.028 0.000 1.068 226 I CA 2.025 63.386 61.300 0.102 0.000 1.326 226 I CB -1.293 36.798 38.000 0.152 0.000 1.028 226 I HN 0.237 nan 8.210 nan 0.000 0.412 227 T N 0.974 115.493 114.554 -0.059 0.000 2.652 227 T HA -0.201 4.149 4.350 -0.001 0.000 0.267 227 T C 2.118 176.670 174.700 -0.246 0.000 1.039 227 T CA 1.626 63.607 62.100 -0.197 0.000 1.153 227 T CB -0.483 68.180 68.868 -0.342 0.000 0.863 227 T HN 0.530 nan 8.240 nan 0.000 0.428 228 A N 0.360 123.056 122.820 -0.208 0.000 1.958 228 A HA -0.178 4.142 4.320 -0.001 0.000 0.221 228 A C 2.106 179.553 177.584 -0.227 0.000 1.178 228 A CA 1.710 53.638 52.037 -0.182 0.000 0.642 228 A CB -1.242 17.670 19.000 -0.147 0.000 0.816 228 A HN 0.717 nan 8.150 nan 0.000 0.453 229 W N -0.289 120.885 121.300 -0.210 0.000 2.380 229 W HA -0.089 4.570 4.660 -0.001 0.000 0.317 229 W C 2.141 178.629 176.519 -0.051 0.000 1.196 229 W CA 0.968 58.202 57.345 -0.185 0.000 1.307 229 W CB -0.393 28.898 29.460 -0.282 0.000 1.157 229 W HN 0.242 nan 8.180 nan 0.000 0.483 230 L N -0.121 121.253 121.223 0.250 0.000 2.127 230 L HA -0.253 4.086 4.340 -0.001 0.000 0.211 230 L C 2.074 179.008 176.870 0.108 0.000 1.089 230 L CA 1.181 56.174 54.840 0.255 0.000 0.757 230 L CB -0.789 41.294 42.059 0.039 0.000 0.899 230 L HN 0.083 nan 8.230 nan 0.000 0.434 231 I N -0.592 119.962 120.570 -0.027 0.000 2.286 231 I HA -0.274 3.896 4.170 -0.001 0.000 0.245 231 I C 2.427 178.544 176.117 -0.000 0.000 1.104 231 I CA 1.246 62.495 61.300 -0.085 0.000 1.397 231 I CB -0.147 37.726 38.000 -0.212 0.000 1.072 231 I HN 0.234 nan 8.210 nan 0.000 0.417 232 L N 0.378 121.615 121.223 0.024 0.000 2.291 232 L HA -0.105 4.234 4.340 -0.001 0.000 0.214 232 L C 2.193 179.130 176.870 0.113 0.000 1.120 232 L CA 1.132 55.996 54.840 0.041 0.000 0.799 232 L CB 0.102 42.141 42.059 -0.033 0.000 0.925 232 L HN 0.206 nan 8.230 nan 0.000 0.446 233 L N -1.391 119.945 121.223 0.188 0.000 2.253 233 L HA -0.009 4.331 4.340 -0.001 0.000 0.205 233 L C 2.606 179.624 176.870 0.247 0.000 1.078 233 L CA 0.971 55.936 54.840 0.210 0.000 0.805 233 L CB -0.293 41.846 42.059 0.133 0.000 0.963 233 L HN 0.333 nan 8.230 nan 0.000 0.459 234 S N -0.841 114.993 115.700 0.222 0.000 2.456 234 S HA -0.012 4.457 4.470 -0.001 0.000 0.224 234 S C 1.955 176.601 174.600 0.077 0.000 1.035 234 S CA -0.037 58.214 58.200 0.084 0.000 0.940 234 S CB -0.246 62.872 63.200 -0.136 0.000 0.799 234 S HN 0.112 nan 8.310 nan 0.000 0.508 235 L N 2.646 123.896 121.223 0.044 0.000 2.042 235 L HA 0.060 4.400 4.340 -0.001 0.000 0.210 235 L C -0.794 176.040 176.870 -0.060 0.000 1.076 235 L CA 1.804 56.616 54.840 -0.047 0.000 0.749 235 L CB -2.254 39.783 42.059 -0.037 0.000 0.893 235 L HN 0.245 nan 8.230 nan 0.000 0.432 236 P HA -0.083 nan 4.420 nan 0.000 0.220 236 P C 1.958 179.267 177.300 0.015 0.000 1.148 236 P CA 0.807 63.924 63.100 0.029 0.000 0.803 236 P CB 0.085 31.823 31.700 0.063 0.000 0.782 237 V N -0.383 119.553 119.914 0.036 0.000 2.358 237 V HA -0.197 3.923 4.120 -0.001 0.000 0.246 237 V C 2.326 178.387 176.094 -0.055 0.000 1.047 237 V CA 1.482 63.817 62.300 0.058 0.000 1.035 237 V CB -1.465 30.485 31.823 0.211 0.000 0.658 237 V HN 0.068 nan 8.190 nan 0.000 0.452 238 L N 1.575 122.689 121.223 -0.182 0.000 2.083 238 L HA 0.003 4.343 4.340 -0.001 0.000 0.209 238 L C 2.485 179.152 176.870 -0.337 0.000 1.083 238 L CA 2.188 56.775 54.840 -0.422 0.000 0.752 238 L CB -1.089 40.319 42.059 -1.085 0.000 0.899 238 L HN 0.183 nan 8.230 nan 0.000 0.433 239 A N -0.081 122.584 122.820 -0.258 0.000 1.917 239 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 239 A C 2.360 179.854 177.584 -0.151 0.000 1.182 239 A CA 1.923 53.811 52.037 -0.249 0.000 0.633 239 A CB -1.714 17.277 19.000 -0.016 0.000 0.819 239 A HN 0.566 nan 8.150 nan 0.000 0.448 240 G N -0.829 107.930 108.800 -0.068 0.000 2.404 240 G HA2 0.028 3.987 3.960 -0.001 0.000 0.215 240 G HA3 0.028 3.987 3.960 -0.001 0.000 0.215 240 G C 1.784 176.652 174.900 -0.052 0.000 1.174 240 G CA 1.543 46.626 45.100 -0.027 0.000 0.780 240 G HN 0.838 nan 8.290 nan 0.000 0.537 241 A N 1.604 124.374 122.820 -0.083 0.000 1.851 241 A HA -0.108 4.212 4.320 -0.001 0.000 0.216 241 A C 2.476 180.137 177.584 0.128 0.000 1.195 241 A CA 1.978 54.002 52.037 -0.021 0.000 0.622 241 A CB -0.640 18.195 19.000 -0.275 0.000 0.831 241 A HN 0.836 nan 8.150 nan 0.000 0.444 242 I N -2.597 117.974 120.570 0.002 0.000 2.361 242 I HA -0.169 4.001 4.170 -0.001 0.000 0.251 242 I C 1.983 178.097 176.117 -0.005 0.000 1.133 242 I CA 2.251 63.547 61.300 -0.007 0.000 1.413 242 I CB -1.045 36.852 38.000 -0.172 0.000 1.073 242 I HN 0.170 nan 8.210 nan 0.000 0.424 243 T N 1.380 115.938 114.554 0.008 0.000 2.833 243 T HA -0.069 4.280 4.350 -0.001 0.000 0.269 243 T C 1.846 176.559 174.700 0.023 0.000 1.054 243 T CA 1.940 64.104 62.100 0.106 0.000 1.135 243 T CB -0.240 68.731 68.868 0.172 0.000 0.869 243 T HN 0.384 nan 8.240 nan 0.000 0.466 244 M N 0.308 119.837 119.600 -0.119 0.000 2.156 244 M HA 0.072 4.551 4.480 -0.001 0.000 0.264 244 M C 2.157 178.344 176.300 -0.188 0.000 1.067 244 M CA 1.301 56.318 55.300 -0.471 0.000 1.131 244 M CB -0.506 31.498 32.600 -0.993 0.000 1.368 244 M HN 0.172 nan 8.290 nan 0.000 0.416 245 L N -0.033 121.203 121.223 0.021 0.000 2.021 245 L HA -0.271 4.069 4.340 -0.001 0.000 0.215 245 L C 2.547 179.438 176.870 0.034 0.000 1.074 245 L CA 1.205 56.087 54.840 0.070 0.000 0.760 245 L CB -0.787 41.287 42.059 0.026 0.000 0.889 245 L HN 0.318 nan 8.230 nan 0.000 0.433 246 L N -0.952 120.286 121.223 0.025 0.000 2.017 246 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 246 L C 2.606 179.554 176.870 0.129 0.000 1.073 246 L CA 1.618 56.478 54.840 0.035 0.000 0.745 246 L CB -0.272 41.794 42.059 0.012 0.000 0.894 246 L HN 0.140 nan 8.230 nan 0.000 0.432 247 M N 0.032 119.752 119.600 0.200 0.000 2.126 247 M HA -0.191 4.289 4.480 -0.001 0.000 0.259 247 M C 1.775 178.235 176.300 0.267 0.000 1.073 247 M CA 1.918 57.413 55.300 0.324 0.000 1.103 247 M CB -1.765 31.066 32.600 0.386 0.000 1.284 247 M HN 0.460 nan 8.290 nan 0.000 0.420 248 D N -0.330 120.211 120.400 0.236 0.000 2.379 248 D HA -0.161 4.478 4.640 -0.001 0.000 0.243 248 D C 1.677 178.030 176.300 0.087 0.000 1.088 248 D CA 0.656 54.737 54.000 0.136 0.000 0.925 248 D CB -0.443 40.416 40.800 0.098 0.000 0.888 248 D HN 0.489 nan 8.370 nan 0.000 0.529 249 R N -0.544 120.006 120.500 0.083 0.000 2.435 249 R HA 0.172 4.511 4.340 -0.001 0.000 0.221 249 R C 0.558 176.857 176.300 -0.002 0.000 0.885 249 R CA -0.097 56.026 56.100 0.039 0.000 1.018 249 R CB 0.459 30.776 30.300 0.028 0.000 1.259 249 R HN -0.062 nan 8.270 nan 0.000 0.597 250 N N -0.719 117.969 118.700 -0.020 0.000 2.143 250 N HA 0.108 4.847 4.740 -0.001 0.000 0.222 250 N C -0.529 174.678 175.510 -0.506 0.000 1.264 250 N CA 0.239 53.155 53.050 -0.223 0.000 0.897 250 N CB 0.942 39.280 38.487 -0.249 0.000 1.092 250 N HN 0.078 nan 8.380 nan 0.000 0.516 251 F N -0.191 119.779 119.950 0.034 0.000 2.899 251 F HA 0.306 4.833 4.527 -0.001 0.000 0.337 251 F C 1.372 177.175 175.800 0.005 0.000 1.129 251 F CA -0.272 57.741 58.000 0.022 0.000 1.128 251 F CB 0.583 39.597 39.000 0.024 0.000 1.154 251 F HN -0.031 nan 8.300 nan 0.000 0.531 252 G N 1.969 110.841 108.800 0.121 0.000 2.233 252 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.270 252 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.270 252 G C 0.482 175.410 174.900 0.046 0.000 1.011 252 G CA 0.660 45.802 45.100 0.069 0.000 0.762 252 G HN 0.523 nan 8.290 nan 0.000 0.511 253 T N -1.844 112.742 114.554 0.052 0.000 2.856 253 T HA 0.471 4.821 4.350 -0.001 0.000 0.306 253 T C 0.304 174.931 174.700 -0.122 0.000 1.062 253 T CA -0.016 62.040 62.100 -0.073 0.000 1.083 253 T CB 1.280 70.062 68.868 -0.143 0.000 0.984 253 T HN 0.275 nan 8.240 nan 0.000 0.542 254 Q N 2.603 122.271 119.800 -0.220 0.000 2.503 254 Q HA 0.356 4.695 4.340 -0.001 0.000 0.227 254 Q C -0.547 175.290 176.000 -0.273 0.000 1.109 254 Q CA -0.113 55.589 55.803 -0.170 0.000 0.922 254 Q CB 0.438 29.105 28.738 -0.118 0.000 1.249 254 Q HN 0.852 nan 8.270 nan 0.000 0.530 255 F N -0.484 119.323 119.950 -0.238 0.000 2.534 255 F HA 0.177 4.704 4.527 -0.001 0.000 0.274 255 F C 1.010 176.559 175.800 -0.417 0.000 0.917 255 F CA 0.058 57.772 58.000 -0.478 0.000 1.145 255 F CB 0.542 39.002 39.000 -0.900 0.000 1.145 255 F HN 0.332 nan 8.300 nan 0.000 0.746 256 F N -1.046 119.049 119.950 0.241 0.000 2.678 256 F HA 0.160 4.686 4.527 -0.001 0.000 0.305 256 F C -0.156 175.691 175.800 0.078 0.000 1.090 256 F CA -0.559 57.512 58.000 0.118 0.000 1.272 256 F CB 0.203 39.224 39.000 0.034 0.000 1.060 256 F HN -0.223 nan 8.300 nan 0.000 0.576 257 D N 1.909 122.401 120.400 0.152 0.000 2.338 257 D HA 0.121 4.761 4.640 -0.001 0.000 0.255 257 D C -1.630 174.719 176.300 0.083 0.000 1.237 257 D CA -2.072 51.988 54.000 0.101 0.000 0.883 257 D CB 1.294 42.129 40.800 0.059 0.000 1.087 257 D HN -0.071 nan 8.370 nan 0.000 0.485 258 P HA -0.224 nan 4.420 nan 0.000 0.216 258 P C 1.017 178.346 177.300 0.048 0.000 1.157 258 P CA 1.644 64.786 63.100 0.070 0.000 0.880 258 P CB 0.175 31.913 31.700 0.065 0.000 0.791 259 A N -0.403 122.441 122.820 0.040 0.000 1.958 259 A HA -0.162 4.157 4.320 -0.001 0.000 0.221 259 A C 2.364 179.959 177.584 0.018 0.000 1.178 259 A CA 2.248 54.301 52.037 0.027 0.000 0.642 259 A CB -1.833 17.182 19.000 0.025 0.000 0.816 259 A HN 0.350 nan 8.150 nan 0.000 0.453 260 G N -2.446 106.362 108.800 0.013 0.000 3.042 260 G HA2 0.399 4.359 3.960 -0.001 0.000 0.212 260 G HA3 0.399 4.359 3.960 -0.001 0.000 0.212 260 G C 0.978 175.877 174.900 -0.002 0.000 1.166 260 G CA 0.513 45.610 45.100 -0.005 0.000 0.767 260 G HN 1.720 nan 8.290 nan 0.000 0.546 261 G N -1.082 107.731 108.800 0.021 0.000 2.288 261 G HA2 0.235 4.194 3.960 -0.001 0.000 0.205 261 G HA3 0.235 4.194 3.960 -0.001 0.000 0.205 261 G C 0.284 175.216 174.900 0.054 0.000 1.071 261 G CA -0.135 44.983 45.100 0.031 0.000 0.788 261 G HN 1.052 nan 8.290 nan 0.000 0.491 262 G N -0.164 108.686 108.800 0.082 0.000 2.487 262 G HA2 0.546 4.505 3.960 -0.001 0.000 0.314 262 G HA3 0.546 4.505 3.960 -0.001 0.000 0.314 262 G C -0.852 174.169 174.900 0.200 0.000 1.267 262 G CA -0.180 45.008 45.100 0.146 0.000 0.937 262 G HN 0.294 nan 8.290 nan 0.000 0.481 263 D N 2.888 123.423 120.400 0.225 0.000 2.316 263 D HA 0.327 4.966 4.640 -0.001 0.000 0.245 263 D C -1.381 175.061 176.300 0.236 0.000 1.171 263 D CA -2.174 51.944 54.000 0.197 0.000 0.856 263 D CB 2.103 42.996 40.800 0.156 0.000 1.090 263 D HN 0.056 nan 8.370 nan 0.000 0.476 264 P HA -0.108 nan 4.420 nan 0.000 0.223 264 P C 1.364 178.607 177.300 -0.095 0.000 1.151 264 P CA 0.612 63.709 63.100 -0.005 0.000 0.787 264 P CB 0.182 31.879 31.700 -0.005 0.000 0.788 265 V N -3.013 116.893 119.914 -0.014 0.000 2.809 265 V HA -0.132 3.988 4.120 -0.001 0.000 0.256 265 V C 1.997 178.107 176.094 0.028 0.000 1.080 265 V CA 1.049 63.324 62.300 -0.041 0.000 1.102 265 V CB -1.618 30.206 31.823 0.001 0.000 0.705 265 V HN -0.002 nan 8.190 nan 0.000 0.475 266 L N 0.308 121.598 121.223 0.113 0.000 2.093 266 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 266 L C 2.405 179.320 176.870 0.074 0.000 1.085 266 L CA 2.366 57.321 54.840 0.192 0.000 0.755 266 L CB -1.096 41.105 42.059 0.238 0.000 0.904 266 L HN 0.471 nan 8.230 nan 0.000 0.435 267 Y N 0.159 120.281 120.300 -0.298 0.000 2.242 267 Y HA -0.226 4.323 4.550 -0.001 0.000 0.291 267 Y C 2.469 178.161 175.900 -0.347 0.000 1.137 267 Y CA 1.952 59.732 58.100 -0.533 0.000 1.181 267 Y CB -0.188 37.484 38.460 -1.312 0.000 0.989 267 Y HN 0.377 nan 8.280 nan 0.000 0.527 268 Q N -1.333 118.288 119.800 -0.298 0.000 2.291 268 Q HA -0.181 4.159 4.340 -0.001 0.000 0.205 268 Q C 1.626 177.619 176.000 -0.011 0.000 0.970 268 Q CA 1.568 57.214 55.803 -0.261 0.000 0.876 268 Q CB -0.142 28.442 28.738 -0.255 0.000 0.935 268 Q HN 0.699 nan 8.270 nan 0.000 0.455 269 H N -0.174 118.936 119.070 0.067 0.000 2.355 269 H HA 0.028 4.583 4.556 -0.001 0.000 0.303 269 H C 1.961 177.353 175.328 0.105 0.000 1.061 269 H CA 1.033 57.280 56.048 0.332 0.000 1.368 269 H CB 0.311 30.253 29.762 0.301 0.000 1.412 269 H HN 0.097 nan 8.280 nan 0.000 0.523 270 I N 0.076 120.676 120.570 0.050 0.000 2.127 270 I HA -0.270 3.900 4.170 -0.001 0.000 0.241 270 I C 2.249 178.269 176.117 -0.161 0.000 1.075 270 I CA 1.045 62.289 61.300 -0.092 0.000 1.334 270 I CB -0.191 37.728 38.000 -0.136 0.000 1.040 270 I HN 0.228 nan 8.210 nan 0.000 0.405 271 L N 0.293 121.268 121.223 -0.412 0.000 1.976 271 L HA -0.174 4.165 4.340 -0.001 0.000 0.209 271 L C 2.042 178.729 176.870 -0.304 0.000 1.071 271 L CA 1.965 56.522 54.840 -0.472 0.000 0.746 271 L CB -0.719 40.747 42.059 -0.988 0.000 0.890 271 L HN 0.195 nan 8.230 nan 0.000 0.432 272 W N -1.617 119.596 121.300 -0.145 0.000 2.848 272 W HA -0.143 4.516 4.660 -0.001 0.000 0.241 272 W C 2.091 178.488 176.519 -0.203 0.000 1.289 272 W CA 0.314 57.593 57.345 -0.111 0.000 1.396 272 W CB -0.231 29.283 29.460 0.091 0.000 1.138 272 W HN 0.227 nan 8.180 nan 0.000 0.677 273 F N -0.308 119.362 119.950 -0.466 0.000 2.456 273 F HA -0.103 4.424 4.527 -0.001 0.000 0.298 273 F C 1.998 177.580 175.800 -0.363 0.000 1.104 273 F CA 1.117 58.591 58.000 -0.877 0.000 1.435 273 F CB -0.128 38.296 39.000 -0.960 0.000 1.078 273 F HN -0.022 nan 8.300 nan 0.000 0.546 274 F N -0.277 119.416 119.950 -0.429 0.000 2.559 274 F HA 0.371 4.897 4.527 -0.001 0.000 0.286 274 F C 2.048 177.661 175.800 -0.311 0.000 1.108 274 F CA 0.995 58.746 58.000 -0.416 0.000 1.436 274 F CB -1.172 37.647 39.000 -0.303 0.000 1.130 274 F HN -0.163 nan 8.300 nan 0.000 0.584 275 G N -0.017 108.049 108.800 -1.224 0.000 2.442 275 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.219 275 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.219 275 G C 1.454 176.132 174.900 -0.370 0.000 1.141 275 G CA 1.482 45.920 45.100 -1.103 0.000 0.763 275 G HN 0.582 nan 8.290 nan 0.000 0.554 276 H N 1.249 120.234 119.070 -0.142 0.000 2.384 276 H HA 0.078 4.633 4.556 -0.001 0.000 0.300 276 H C 0.174 175.425 175.328 -0.128 0.000 1.057 276 H CA 0.864 56.941 56.048 0.049 0.000 1.370 276 H CB -0.394 29.505 29.762 0.228 0.000 1.417 276 H HN 0.245 nan 8.280 nan 0.000 0.527 277 P HA -0.227 nan 4.420 nan 0.000 0.218 277 P C 1.236 178.301 177.300 -0.391 0.000 1.152 277 P CA 2.057 64.845 63.100 -0.520 0.000 0.857 277 P CB 0.016 31.227 31.700 -0.815 0.000 0.787 278 E N 0.159 120.073 120.200 -0.477 0.000 2.028 278 E HA -0.234 4.116 4.350 -0.001 0.000 0.217 278 E C 1.780 178.148 176.600 -0.386 0.000 1.039 278 E CA 2.227 58.356 56.400 -0.452 0.000 0.882 278 E CB -1.499 27.832 29.700 -0.615 0.000 0.794 278 E HN 0.072 nan 8.360 nan 0.000 0.488 279 V N -0.770 118.905 119.914 -0.398 0.000 2.909 279 V HA -0.238 3.882 4.120 -0.001 0.000 0.265 279 V C 1.657 177.446 176.094 -0.509 0.000 1.128 279 V CA 2.095 64.138 62.300 -0.429 0.000 1.149 279 V CB -0.936 30.646 31.823 -0.403 0.000 0.725 279 V HN 0.467 nan 8.190 nan 0.000 0.511 280 Y N -0.586 119.475 120.300 -0.398 0.000 2.503 280 Y HA 0.377 4.927 4.550 -0.001 0.000 0.277 280 Y C 2.197 177.903 175.900 -0.324 0.000 1.102 280 Y CA 0.875 58.784 58.100 -0.318 0.000 1.261 280 Y CB 0.107 38.417 38.460 -0.249 0.000 1.096 280 Y HN 0.200 nan 8.280 nan 0.000 0.546 281 I N -0.488 119.945 120.570 -0.228 0.000 2.493 281 I HA -0.274 3.896 4.170 -0.001 0.000 0.254 281 I C 1.790 177.700 176.117 -0.344 0.000 1.160 281 I CA 1.262 62.377 61.300 -0.308 0.000 1.445 281 I CB -0.127 37.664 38.000 -0.348 0.000 1.086 281 I HN 0.247 nan 8.210 nan 0.000 0.433 282 I N -0.088 120.279 120.570 -0.337 0.000 2.188 282 I HA -0.232 3.937 4.170 -0.001 0.000 0.237 282 I C 2.390 178.317 176.117 -0.316 0.000 1.073 282 I CA 1.169 62.278 61.300 -0.319 0.000 1.359 282 I CB -0.097 37.705 38.000 -0.331 0.000 1.083 282 I HN 0.085 nan 8.210 nan 0.000 0.412 283 I N 0.488 120.818 120.570 -0.399 0.000 2.394 283 I HA -0.232 3.938 4.170 -0.001 0.000 0.251 283 I C 2.190 177.876 176.117 -0.719 0.000 1.136 283 I CA 1.216 62.205 61.300 -0.519 0.000 1.425 283 I CB -0.273 37.352 38.000 -0.625 0.000 1.079 283 I HN 0.108 nan 8.210 nan 0.000 0.425 284 L N 1.145 122.008 121.223 -0.599 0.000 2.010 284 L HA -0.210 4.129 4.340 -0.001 0.000 0.219 284 L C -0.075 176.660 176.870 -0.225 0.000 1.077 284 L CA 2.630 57.211 54.840 -0.432 0.000 0.773 284 L CB -2.819 39.120 42.059 -0.200 0.000 0.892 284 L HN 0.188 nan 8.230 nan 0.000 0.436 285 P HA -0.088 nan 4.420 nan 0.000 0.218 285 P C 1.620 178.965 177.300 0.075 0.000 1.149 285 P CA 1.465 64.553 63.100 -0.021 0.000 0.817 285 P CB -0.187 31.544 31.700 0.051 0.000 0.785 286 G N -1.306 107.458 108.800 -0.060 0.000 2.422 286 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.218 286 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.218 286 G C 1.425 176.300 174.900 -0.041 0.000 1.146 286 G CA 0.284 45.324 45.100 -0.099 0.000 0.769 286 G HN 0.249 nan 8.290 nan 0.000 0.547 287 F N 1.138 121.048 119.950 -0.067 0.000 2.134 287 F HA -0.036 4.491 4.527 -0.001 0.000 0.299 287 F C 3.014 178.920 175.800 0.177 0.000 1.097 287 F CA 0.252 58.324 58.000 0.119 0.000 1.264 287 F CB -0.179 38.966 39.000 0.241 0.000 1.001 287 F HN 0.270 nan 8.300 nan 0.000 0.479 288 G N 0.882 109.892 108.800 0.350 0.000 2.446 288 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.217 288 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.217 288 G C 1.586 176.715 174.900 0.382 0.000 1.168 288 G CA 0.861 46.161 45.100 0.334 0.000 0.771 288 G HN 0.273 nan 8.290 nan 0.000 0.551 289 I N 0.907 121.712 120.570 0.392 0.000 2.099 289 I HA -0.174 3.996 4.170 -0.001 0.000 0.239 289 I C 2.567 178.558 176.117 -0.211 0.000 1.066 289 I CA 0.762 62.087 61.300 0.041 0.000 1.324 289 I CB -0.236 37.654 38.000 -0.182 0.000 1.037 289 I HN 0.061 nan 8.210 nan 0.000 0.401 290 I N 0.567 120.955 120.570 -0.302 0.000 2.381 290 I HA -0.291 3.878 4.170 -0.001 0.000 0.255 290 I C 2.577 178.514 176.117 -0.300 0.000 1.140 290 I CA 1.498 62.493 61.300 -0.508 0.000 1.404 290 I CB -1.242 36.181 38.000 -0.962 0.000 1.075 290 I HN 0.232 nan 8.210 nan 0.000 0.433 291 S N -0.549 115.159 115.700 0.012 0.000 2.357 291 S HA -0.118 4.352 4.470 -0.001 0.000 0.221 291 S C 1.875 176.501 174.600 0.044 0.000 1.031 291 S CA 0.756 59.068 58.200 0.186 0.000 0.982 291 S CB -0.219 63.111 63.200 0.216 0.000 0.853 291 S HN 0.467 nan 8.310 nan 0.000 0.458 292 H N 1.121 120.261 119.070 0.116 0.000 2.293 292 H HA 0.023 4.579 4.556 -0.001 0.000 0.300 292 H C 2.391 177.617 175.328 -0.171 0.000 1.082 292 H CA 1.371 57.465 56.048 0.075 0.000 1.308 292 H CB -1.012 28.878 29.762 0.212 0.000 1.375 292 H HN 0.191 nan 8.280 nan 0.000 0.495 293 V N 1.328 120.989 119.914 -0.422 0.000 2.370 293 V HA -0.255 3.864 4.120 -0.001 0.000 0.252 293 V C 2.681 178.690 176.094 -0.141 0.000 1.068 293 V CA 1.794 63.735 62.300 -0.598 0.000 1.061 293 V CB -0.654 30.728 31.823 -0.735 0.000 0.656 293 V HN 0.283 nan 8.190 nan 0.000 0.455 294 I N -0.342 120.147 120.570 -0.134 0.000 2.406 294 I HA -0.143 4.026 4.170 -0.001 0.000 0.249 294 I C 2.494 178.630 176.117 0.030 0.000 1.122 294 I CA 1.261 62.526 61.300 -0.059 0.000 1.431 294 I CB -0.217 37.720 38.000 -0.105 0.000 1.087 294 I HN 0.249 nan 8.210 nan 0.000 0.424 295 S N 0.099 115.847 115.700 0.080 0.000 2.383 295 S HA -0.137 4.332 4.470 -0.001 0.000 0.227 295 S C 1.954 176.582 174.600 0.045 0.000 1.026 295 S CA 1.643 59.905 58.200 0.104 0.000 0.981 295 S CB -0.261 63.058 63.200 0.198 0.000 0.818 295 S HN 0.446 nan 8.310 nan 0.000 0.472 296 T N 2.101 116.672 114.554 0.029 0.000 2.564 296 T HA -0.050 4.300 4.350 -0.001 0.000 0.259 296 T C 1.435 176.008 174.700 -0.212 0.000 1.087 296 T CA 1.498 63.535 62.100 -0.104 0.000 1.184 296 T CB -0.676 68.053 68.868 -0.232 0.000 0.864 296 T HN 0.353 nan 8.240 nan 0.000 0.403 297 F N 1.598 121.450 119.950 -0.164 0.000 2.171 297 F HA 0.043 4.570 4.527 -0.001 0.000 0.300 297 F C 2.622 178.315 175.800 -0.178 0.000 1.090 297 F CA 0.760 58.647 58.000 -0.187 0.000 1.293 297 F CB -0.603 38.239 39.000 -0.263 0.000 1.013 297 F HN 0.157 nan 8.300 nan 0.000 0.486 298 A N -0.313 122.507 122.820 -0.000 0.000 2.168 298 A HA -0.050 4.270 4.320 -0.001 0.000 0.215 298 A C 1.071 178.571 177.584 -0.141 0.000 1.152 298 A CA 0.289 52.287 52.037 -0.065 0.000 0.716 298 A CB -0.581 18.403 19.000 -0.026 0.000 0.794 298 A HN 0.351 nan 8.150 nan 0.000 0.465 299 K N -1.079 119.185 120.400 -0.227 0.000 3.244 299 K HA -0.171 4.148 4.320 -0.001 0.000 0.270 299 K C -0.452 175.588 176.600 -0.934 0.000 1.016 299 K CA 1.184 57.118 56.287 -0.589 0.000 0.754 299 K CB -1.398 30.944 32.500 -0.264 0.000 1.326 299 K HN 0.650 nan 8.250 nan 0.000 0.465 300 K N -0.014 120.042 120.400 -0.574 0.000 2.569 300 K HA 0.237 4.557 4.320 -0.001 0.000 0.259 300 K C -2.736 173.879 176.600 0.025 0.000 0.932 300 K CA -1.639 54.516 56.287 -0.221 0.000 0.833 300 K CB 2.093 34.560 32.500 -0.054 0.000 1.340 300 K HN -0.247 nan 8.250 nan 0.000 0.429 301 P HA -0.032 nan 4.420 nan 0.000 0.272 301 P C -0.108 177.315 177.300 0.204 0.000 1.248 301 P CA -0.358 62.859 63.100 0.195 0.000 0.799 301 P CB 0.493 32.302 31.700 0.181 0.000 0.997 302 I N 0.974 121.683 120.570 0.231 0.000 2.533 302 I HA 0.059 4.229 4.170 -0.001 0.000 0.284 302 I C 0.835 177.106 176.117 0.257 0.000 1.109 302 I CA -0.238 61.220 61.300 0.262 0.000 1.412 302 I CB -0.964 37.211 38.000 0.291 0.000 1.396 302 I HN 0.316 nan 8.210 nan 0.000 0.543 303 F N 5.641 125.664 119.950 0.122 0.000 2.495 303 F HA 0.400 4.926 4.527 -0.001 0.000 0.365 303 F C 1.224 177.062 175.800 0.063 0.000 1.090 303 F CA 0.169 58.222 58.000 0.088 0.000 1.235 303 F CB 0.688 39.729 39.000 0.068 0.000 1.119 303 F HN 0.726 nan 8.300 nan 0.000 0.562 304 G N 6.446 115.070 108.800 -0.293 0.000 2.274 304 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.251 304 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.251 304 G C -0.102 174.809 174.900 0.018 0.000 0.836 304 G CA 0.624 45.639 45.100 -0.142 0.000 1.246 304 G HN 1.024 nan 8.290 nan 0.000 0.355 305 Y N 2.617 122.889 120.300 -0.047 0.000 2.184 305 Y HA 0.086 4.636 4.550 -0.001 0.000 0.290 305 Y C 2.437 178.305 175.900 -0.052 0.000 1.129 305 Y CA 2.037 60.141 58.100 0.007 0.000 1.144 305 Y CB -0.260 38.245 38.460 0.075 0.000 0.995 305 Y HN 0.495 nan 8.280 nan 0.000 0.513 306 L N 1.158 122.177 121.223 -0.340 0.000 1.989 306 L HA -0.064 4.276 4.340 -0.001 0.000 0.211 306 L C -0.759 175.839 176.870 -0.453 0.000 1.071 306 L CA 2.059 56.583 54.840 -0.527 0.000 0.749 306 L CB -1.767 40.075 42.059 -0.363 0.000 0.890 306 L HN 0.090 nan 8.230 nan 0.000 0.431 307 P HA -0.180 nan 4.420 nan 0.000 0.216 307 P C 1.836 178.985 177.300 -0.251 0.000 1.150 307 P CA 1.412 64.379 63.100 -0.222 0.000 0.837 307 P CB -0.090 31.535 31.700 -0.126 0.000 0.786 308 M N -1.182 118.257 119.600 -0.268 0.000 2.296 308 M HA -0.094 4.386 4.480 -0.001 0.000 0.265 308 M C 1.526 177.648 176.300 -0.297 0.000 1.064 308 M CA 1.580 56.720 55.300 -0.267 0.000 1.109 308 M CB -0.698 31.784 32.600 -0.197 0.000 1.396 308 M HN -0.258 nan 8.290 nan 0.000 0.430 309 V N -0.823 118.824 119.914 -0.445 0.000 2.500 309 V HA -0.137 3.982 4.120 -0.001 0.000 0.243 309 V C 2.112 177.944 176.094 -0.437 0.000 1.039 309 V CA 1.176 63.159 62.300 -0.528 0.000 1.053 309 V CB -0.625 30.662 31.823 -0.894 0.000 0.695 309 V HN 0.423 nan 8.190 nan 0.000 0.463 310 L N 0.597 121.586 121.223 -0.391 0.000 2.201 310 L HA -0.076 4.263 4.340 -0.001 0.000 0.212 310 L C 2.737 179.494 176.870 -0.189 0.000 1.105 310 L CA 1.281 55.957 54.840 -0.273 0.000 0.775 310 L CB -0.879 41.030 42.059 -0.250 0.000 0.913 310 L HN 0.346 nan 8.230 nan 0.000 0.440 311 A N 0.173 122.880 122.820 -0.188 0.000 1.902 311 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 311 A C 2.366 179.908 177.584 -0.070 0.000 1.181 311 A CA 1.753 53.712 52.037 -0.132 0.000 0.623 311 A CB -0.416 18.485 19.000 -0.165 0.000 0.818 311 A HN 0.325 nan 8.150 nan 0.000 0.443 312 M N -0.860 118.699 119.600 -0.068 0.000 2.132 312 M HA -0.109 4.371 4.480 -0.001 0.000 0.263 312 M C 2.589 178.886 176.300 -0.005 0.000 1.065 312 M CA 1.314 56.627 55.300 0.022 0.000 1.122 312 M CB -0.467 32.160 32.600 0.045 0.000 1.365 312 M HN 0.497 nan 8.290 nan 0.000 0.411 313 A N 0.548 123.325 122.820 -0.073 0.000 1.908 313 A HA -0.093 4.227 4.320 -0.001 0.000 0.218 313 A C 2.353 179.903 177.584 -0.056 0.000 1.181 313 A CA 2.004 53.998 52.037 -0.070 0.000 0.627 313 A CB -0.896 18.032 19.000 -0.120 0.000 0.818 313 A HN 0.501 nan 8.150 nan 0.000 0.445 314 A N 0.071 122.854 122.820 -0.062 0.000 1.858 314 A HA -0.110 4.210 4.320 -0.001 0.000 0.216 314 A C 2.124 179.685 177.584 -0.038 0.000 1.190 314 A CA 1.545 53.552 52.037 -0.050 0.000 0.617 314 A CB -0.672 18.295 19.000 -0.055 0.000 0.827 314 A HN 0.488 nan 8.150 nan 0.000 0.443 315 I N -0.261 120.298 120.570 -0.017 0.000 2.248 315 I HA -0.270 3.900 4.170 -0.001 0.000 0.248 315 I C 2.646 178.691 176.117 -0.119 0.000 1.107 315 I CA 1.145 62.425 61.300 -0.034 0.000 1.373 315 I CB -0.739 37.340 38.000 0.131 0.000 1.055 315 I HN 0.449 nan 8.210 nan 0.000 0.418 316 G N 1.618 110.400 108.800 -0.031 0.000 2.511 316 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 316 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 316 G C 1.541 176.493 174.900 0.086 0.000 1.218 316 G CA 0.636 45.743 45.100 0.012 0.000 0.788 316 G HN 0.181 nan 8.290 nan 0.000 0.560 317 I N 0.922 121.522 120.570 0.051 0.000 2.127 317 I HA -0.121 4.049 4.170 -0.001 0.000 0.241 317 I C 2.919 179.109 176.117 0.121 0.000 1.075 317 I CA 0.995 62.342 61.300 0.077 0.000 1.334 317 I CB -1.241 36.748 38.000 -0.018 0.000 1.040 317 I HN 0.139 nan 8.210 nan 0.000 0.405 318 L N 0.806 122.047 121.223 0.029 0.000 2.189 318 L HA -0.174 4.166 4.340 -0.001 0.000 0.214 318 L C 2.477 179.341 176.870 -0.010 0.000 1.097 318 L CA 1.365 56.211 54.840 0.010 0.000 0.764 318 L CB -0.982 41.052 42.059 -0.041 0.000 0.900 318 L HN 0.349 nan 8.230 nan 0.000 0.436 319 G N -1.477 107.265 108.800 -0.095 0.000 2.679 319 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.212 319 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.212 319 G C 1.173 176.042 174.900 -0.052 0.000 1.137 319 G CA -0.007 44.987 45.100 -0.176 0.000 0.787 319 G HN 0.282 nan 8.290 nan 0.000 0.534 320 F N -0.025 119.933 119.950 0.013 0.000 2.749 320 F HA 0.179 4.705 4.527 -0.001 0.000 0.300 320 F C 1.458 177.442 175.800 0.306 0.000 1.103 320 F CA 0.155 58.185 58.000 0.050 0.000 1.342 320 F CB 1.090 40.096 39.000 0.009 0.000 1.098 320 F HN 0.061 nan 8.300 nan 0.000 0.586 321 V N -1.372 118.806 119.914 0.441 0.000 2.727 321 V HA 0.408 4.527 4.120 -0.001 0.000 0.336 321 V C -0.053 176.289 176.094 0.414 0.000 1.228 321 V CA -0.062 62.542 62.300 0.506 0.000 1.270 321 V CB 0.037 32.080 31.823 0.366 0.000 1.486 321 V HN -0.010 nan 8.190 nan 0.000 0.638 322 V N -2.587 117.540 119.914 0.354 0.000 3.823 322 V HA 0.314 4.434 4.120 -0.001 0.000 0.511 322 V C 0.646 176.653 176.094 -0.146 0.000 1.722 322 V CA 0.225 62.605 62.300 0.134 0.000 2.032 322 V CB -0.719 31.078 31.823 -0.044 0.000 1.128 322 V HN 0.786 nan 8.190 nan 0.000 0.581 323 W N 1.012 122.245 121.300 -0.112 0.000 3.047 323 W HA 0.629 5.288 4.660 -0.001 0.000 0.250 323 W C 1.391 177.562 176.519 -0.581 0.000 1.314 323 W CA 0.713 57.872 57.345 -0.310 0.000 1.540 323 W CB -0.080 29.417 29.460 0.061 0.000 1.127 323 W HN 0.320 nan 8.180 nan 0.000 0.679 324 A N 1.469 123.504 122.820 -1.308 0.000 2.251 324 A HA -0.052 4.268 4.320 -0.001 0.000 0.209 324 A C 1.692 178.544 177.584 -1.219 0.000 1.187 324 A CA 0.711 51.833 52.037 -1.525 0.000 0.823 324 A CB -1.593 15.821 19.000 -2.644 0.000 0.846 324 A HN 0.736 nan 8.150 nan 0.000 0.486 325 H N -2.473 115.966 119.070 -1.052 0.000 2.568 325 H HA 0.005 4.560 4.556 -0.001 0.000 0.275 325 H C 0.601 175.162 175.328 -1.278 0.000 1.028 325 H CA 0.872 56.004 56.048 -1.527 0.000 1.173 325 H CB -0.249 28.925 29.762 -0.979 0.000 1.335 325 H HN 0.607 nan 8.280 nan 0.000 0.614 326 H N 0.312 118.883 119.070 -0.832 0.000 2.622 326 H HA 0.251 4.806 4.556 -0.001 0.000 0.269 326 H C 0.707 175.625 175.328 -0.683 0.000 0.977 326 H CA 0.202 55.718 56.048 -0.887 0.000 1.179 326 H CB 0.700 29.362 29.762 -1.834 0.000 1.458 326 H HN 0.437 nan 8.280 nan 0.000 0.531 327 M N -0.617 118.637 119.600 -0.577 0.000 2.848 327 M HA 0.135 4.614 4.480 -0.001 0.000 0.420 327 M C 0.461 176.584 176.300 -0.295 0.000 1.304 327 M CA -0.141 54.917 55.300 -0.404 0.000 0.844 327 M CB 0.644 32.988 32.600 -0.426 0.000 1.451 327 M HN 0.067 nan 8.290 nan 0.000 0.511 328 Y N 0.939 121.044 120.300 -0.326 0.000 2.097 328 Y HA -0.223 4.326 4.550 -0.001 0.000 0.282 328 Y C 2.688 178.461 175.900 -0.211 0.000 1.152 328 Y CA 1.632 59.590 58.100 -0.237 0.000 1.136 328 Y CB 0.046 38.388 38.460 -0.198 0.000 0.975 328 Y HN 0.382 nan 8.280 nan 0.000 0.498 329 T N -2.306 112.177 114.554 -0.118 0.000 3.312 329 T HA 0.405 4.754 4.350 -0.001 0.000 0.251 329 T C 1.145 175.788 174.700 -0.094 0.000 1.012 329 T CA 0.243 62.279 62.100 -0.107 0.000 0.925 329 T CB 0.194 68.996 68.868 -0.110 0.000 1.049 329 T HN 0.282 nan 8.240 nan 0.000 0.583 330 A N 0.894 123.651 122.820 -0.105 0.000 2.021 330 A HA 0.618 4.938 4.320 -0.001 0.000 0.216 330 A C 1.921 179.491 177.584 -0.024 0.000 1.163 330 A CA 0.614 52.611 52.037 -0.066 0.000 0.676 330 A CB -0.555 18.373 19.000 -0.121 0.000 0.818 330 A HN 1.385 nan 8.150 nan 0.000 0.453 331 G N -2.066 106.724 108.800 -0.018 0.000 2.174 331 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.140 331 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.140 331 G C 0.003 174.914 174.900 0.018 0.000 1.031 331 G CA -0.142 44.962 45.100 0.007 0.000 0.728 331 G HN 0.190 nan 8.290 nan 0.000 0.496 332 M N 2.671 122.277 119.600 0.009 0.000 2.188 332 M HA 0.345 4.824 4.480 -0.001 0.000 0.354 332 M C 1.465 177.795 176.300 0.049 0.000 1.342 332 M CA 0.096 55.419 55.300 0.038 0.000 1.117 332 M CB 1.064 33.677 32.600 0.021 0.000 1.670 332 M HN 0.541 nan 8.290 nan 0.000 0.466 333 S N 2.791 118.528 115.700 0.062 0.000 2.587 333 S HA 0.036 4.506 4.470 -0.001 0.000 0.260 333 S C 0.842 175.470 174.600 0.047 0.000 1.353 333 S CA -0.605 57.623 58.200 0.046 0.000 0.995 333 S CB 0.696 63.922 63.200 0.045 0.000 0.912 333 S HN 0.731 nan 8.310 nan 0.000 0.568 334 L N 1.215 122.451 121.223 0.023 0.000 2.027 334 L HA 0.019 4.359 4.340 -0.001 0.000 0.206 334 L C 2.890 179.775 176.870 0.026 0.000 1.074 334 L CA 2.593 57.439 54.840 0.010 0.000 0.745 334 L CB -1.470 40.583 42.059 -0.010 0.000 0.898 334 L HN 1.058 nan 8.230 nan 0.000 0.433 335 T N -1.644 112.926 114.554 0.026 0.000 2.881 335 T HA -0.206 4.143 4.350 -0.001 0.000 0.270 335 T C 1.782 176.518 174.700 0.059 0.000 1.068 335 T CA 1.716 63.831 62.100 0.025 0.000 1.131 335 T CB -0.042 68.828 68.868 0.003 0.000 0.871 335 T HN 0.548 nan 8.240 nan 0.000 0.479 336 Q N 0.192 120.061 119.800 0.114 0.000 1.990 336 Q HA -0.109 4.231 4.340 -0.001 0.000 0.200 336 Q C 2.674 178.911 176.000 0.394 0.000 0.980 336 Q CA 1.623 57.580 55.803 0.256 0.000 0.832 336 Q CB -0.196 28.735 28.738 0.322 0.000 0.897 336 Q HN 0.650 nan 8.270 nan 0.000 0.427 337 Q N 0.498 120.468 119.800 0.284 0.000 2.096 337 Q HA -0.195 4.145 4.340 -0.001 0.000 0.204 337 Q C 2.184 178.254 176.000 0.117 0.000 0.982 337 Q CA 1.346 57.291 55.803 0.237 0.000 0.850 337 Q CB -0.383 28.359 28.738 0.008 0.000 0.901 337 Q HN 0.379 nan 8.270 nan 0.000 0.422 338 A N 0.673 123.523 122.820 0.050 0.000 1.917 338 A HA -0.252 4.068 4.320 -0.001 0.000 0.219 338 A C 1.897 179.474 177.584 -0.012 0.000 1.182 338 A CA 1.695 53.729 52.037 -0.006 0.000 0.633 338 A CB -0.843 18.153 19.000 -0.006 0.000 0.819 338 A HN 0.538 nan 8.150 nan 0.000 0.448 339 Y N -0.855 119.384 120.300 -0.103 0.000 2.117 339 Y HA -0.121 4.429 4.550 -0.001 0.000 0.277 339 Y C 2.029 177.816 175.900 -0.187 0.000 1.104 339 Y CA 1.885 59.844 58.100 -0.235 0.000 1.089 339 Y CB -0.837 37.328 38.460 -0.491 0.000 0.999 339 Y HN 0.234 nan 8.280 nan 0.000 0.480 340 F N 0.193 120.121 119.950 -0.036 0.000 2.176 340 F HA -0.392 4.134 4.527 -0.001 0.000 0.301 340 F C 2.781 178.514 175.800 -0.113 0.000 1.071 340 F CA 1.863 59.784 58.000 -0.131 0.000 1.289 340 F CB -0.553 38.444 39.000 -0.004 0.000 1.028 340 F HN 0.229 nan 8.300 nan 0.000 0.494 341 M N -0.248 119.455 119.600 0.172 0.000 2.117 341 M HA -0.195 4.284 4.480 -0.001 0.000 0.262 341 M C 2.199 178.458 176.300 -0.068 0.000 1.065 341 M CA 1.801 57.172 55.300 0.117 0.000 1.114 341 M CB -0.365 32.214 32.600 -0.036 0.000 1.361 341 M HN 0.250 nan 8.290 nan 0.000 0.408 342 L N -0.315 120.788 121.223 -0.200 0.000 2.005 342 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 342 L C 2.717 179.420 176.870 -0.279 0.000 1.072 342 L CA 1.275 55.973 54.840 -0.236 0.000 0.744 342 L CB -0.885 41.022 42.059 -0.253 0.000 0.895 342 L HN 0.309 nan 8.230 nan 0.000 0.433 343 A N -0.177 122.347 122.820 -0.492 0.000 1.873 343 A HA -0.273 4.047 4.320 -0.001 0.000 0.218 343 A C 2.304 179.787 177.584 -0.168 0.000 1.193 343 A CA 2.681 54.494 52.037 -0.374 0.000 0.629 343 A CB -1.265 17.415 19.000 -0.533 0.000 0.826 343 A HN 0.456 nan 8.150 nan 0.000 0.447 344 T N -0.429 114.057 114.554 -0.113 0.000 2.897 344 T HA -0.173 4.176 4.350 -0.001 0.000 0.271 344 T C 1.769 176.438 174.700 -0.052 0.000 1.084 344 T CA 1.655 63.732 62.100 -0.038 0.000 1.123 344 T CB -0.290 68.600 68.868 0.037 0.000 0.865 344 T HN 0.450 nan 8.240 nan 0.000 0.496 345 M N 0.852 120.407 119.600 -0.076 0.000 2.175 345 M HA -0.097 4.382 4.480 -0.001 0.000 0.264 345 M C 2.350 178.614 176.300 -0.060 0.000 1.063 345 M CA 1.206 56.464 55.300 -0.070 0.000 1.119 345 M CB -0.354 32.197 32.600 -0.082 0.000 1.377 345 M HN 0.187 nan 8.290 nan 0.000 0.415 346 T N 0.630 115.144 114.554 -0.066 0.000 2.746 346 T HA -0.178 4.171 4.350 -0.001 0.000 0.267 346 T C 1.659 176.340 174.700 -0.032 0.000 1.039 346 T CA 1.420 63.488 62.100 -0.053 0.000 1.142 346 T CB -0.438 68.396 68.868 -0.058 0.000 0.866 346 T HN 0.398 nan 8.240 nan 0.000 0.444 347 I N 1.116 121.675 120.570 -0.018 0.000 2.381 347 I HA -0.272 3.898 4.170 -0.001 0.000 0.255 347 I C 2.493 178.642 176.117 0.052 0.000 1.140 347 I CA 1.086 62.399 61.300 0.021 0.000 1.404 347 I CB -0.231 37.803 38.000 0.056 0.000 1.075 347 I HN 0.238 nan 8.210 nan 0.000 0.433 348 A N -0.546 122.286 122.820 0.019 0.000 2.067 348 A HA -0.090 4.229 4.320 -0.001 0.000 0.219 348 A C 2.207 179.771 177.584 -0.035 0.000 1.158 348 A CA 1.376 53.412 52.037 -0.001 0.000 0.661 348 A CB -0.622 18.355 19.000 -0.038 0.000 0.801 348 A HN 0.321 nan 8.150 nan 0.000 0.452 349 V N 1.310 121.200 119.914 -0.039 0.000 2.223 349 V HA -0.155 3.965 4.120 -0.001 0.000 0.244 349 V C 0.177 176.229 176.094 -0.071 0.000 1.045 349 V CA 2.257 64.521 62.300 -0.060 0.000 1.000 349 V CB -1.803 29.989 31.823 -0.051 0.000 0.635 349 V HN 0.432 nan 8.190 nan 0.000 0.445 350 P HA -0.181 nan 4.420 nan 0.000 0.215 350 P C 1.703 178.953 177.300 -0.084 0.000 1.157 350 P CA 1.966 65.028 63.100 -0.064 0.000 0.874 350 P CB -0.355 31.324 31.700 -0.034 0.000 0.790 351 T N -0.260 114.285 114.554 -0.015 0.000 2.778 351 T HA -0.123 4.227 4.350 -0.001 0.000 0.269 351 T C 2.080 176.695 174.700 -0.143 0.000 1.050 351 T CA 1.875 63.971 62.100 -0.006 0.000 1.137 351 T CB -1.130 67.843 68.868 0.175 0.000 0.860 351 T HN 0.286 nan 8.240 nan 0.000 0.468 352 G N 0.783 109.470 108.800 -0.190 0.000 2.448 352 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.218 352 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.218 352 G C 1.495 176.163 174.900 -0.387 0.000 1.135 352 G CA 0.212 45.088 45.100 -0.373 0.000 0.784 352 G HN 0.492 nan 8.290 nan 0.000 0.543 353 I N 0.278 120.705 120.570 -0.238 0.000 2.202 353 I HA -0.132 4.038 4.170 -0.001 0.000 0.242 353 I C 2.757 178.719 176.117 -0.258 0.000 1.091 353 I CA 1.075 62.272 61.300 -0.171 0.000 1.368 353 I CB -0.189 37.728 38.000 -0.138 0.000 1.058 353 I HN 0.094 nan 8.210 nan 0.000 0.410 354 K N 0.549 120.697 120.400 -0.420 0.000 2.063 354 K HA -0.144 4.176 4.320 -0.001 0.000 0.208 354 K C 2.081 178.148 176.600 -0.888 0.000 1.048 354 K CA 1.389 57.178 56.287 -0.830 0.000 0.928 354 K CB -0.256 31.611 32.500 -1.055 0.000 0.713 354 K HN 0.195 nan 8.250 nan 0.000 0.442 355 V N 0.770 120.476 119.914 -0.347 0.000 2.379 355 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 355 V C 2.021 178.266 176.094 0.252 0.000 1.044 355 V CA 1.596 64.004 62.300 0.180 0.000 1.036 355 V CB -0.529 31.372 31.823 0.130 0.000 0.664 355 V HN 0.255 nan 8.190 nan 0.000 0.453 356 F N -0.227 119.686 119.950 -0.062 0.000 2.259 356 F HA -0.139 4.388 4.527 -0.001 0.000 0.298 356 F C 2.774 178.470 175.800 -0.174 0.000 1.088 356 F CA 0.922 58.858 58.000 -0.106 0.000 1.358 356 F CB -0.071 38.851 39.000 -0.129 0.000 1.040 356 F HN 0.159 nan 8.300 nan 0.000 0.505 357 S N -0.389 115.308 115.700 -0.003 0.000 2.383 357 S HA -0.158 4.312 4.470 -0.001 0.000 0.227 357 S C 1.876 176.474 174.600 -0.004 0.000 1.026 357 S CA 0.792 58.947 58.200 -0.075 0.000 0.981 357 S CB -0.312 62.832 63.200 -0.094 0.000 0.818 357 S HN 0.386 nan 8.310 nan 0.000 0.472 358 W N 1.659 122.950 121.300 -0.015 0.000 2.355 358 W HA 0.038 4.698 4.660 -0.001 0.000 0.309 358 W C 2.039 178.520 176.519 -0.063 0.000 1.206 358 W CA 0.397 57.720 57.345 -0.036 0.000 1.284 358 W CB -1.129 28.296 29.460 -0.060 0.000 1.145 358 W HN 0.338 nan 8.180 nan 0.000 0.502 359 I N 0.255 120.932 120.570 0.179 0.000 2.493 359 I HA -0.218 3.951 4.170 -0.001 0.000 0.254 359 I C 2.367 178.466 176.117 -0.030 0.000 1.160 359 I CA 1.185 62.514 61.300 0.048 0.000 1.445 359 I CB -0.813 37.207 38.000 0.034 0.000 1.086 359 I HN -0.181 nan 8.210 nan 0.000 0.433 360 A N -0.048 122.667 122.820 -0.174 0.000 2.168 360 A HA -0.098 4.222 4.320 -0.001 0.000 0.215 360 A C 2.164 179.677 177.584 -0.118 0.000 1.152 360 A CA 1.491 53.264 52.037 -0.439 0.000 0.716 360 A CB -0.658 17.615 19.000 -1.210 0.000 0.794 360 A HN 0.338 nan 8.150 nan 0.000 0.465 361 T N -0.635 113.965 114.554 0.077 0.000 3.081 361 T HA 0.182 4.532 4.350 -0.001 0.000 0.250 361 T C 1.514 176.306 174.700 0.154 0.000 1.100 361 T CA 0.593 62.810 62.100 0.194 0.000 1.038 361 T CB -0.108 68.900 68.868 0.234 0.000 0.962 361 T HN 0.445 nan 8.240 nan 0.000 0.516 362 M N -0.963 118.725 119.600 0.148 0.000 2.514 362 M HA 0.202 4.682 4.480 -0.001 0.000 0.258 362 M C 1.806 178.244 176.300 0.230 0.000 1.159 362 M CA 0.164 55.557 55.300 0.154 0.000 1.116 362 M CB 0.176 32.861 32.600 0.141 0.000 1.333 362 M HN 0.354 nan 8.290 nan 0.000 0.487 363 W N 1.558 122.864 121.300 0.010 0.000 2.350 363 W HA -0.153 4.507 4.660 -0.001 0.000 0.289 363 W C 1.775 178.313 176.519 0.031 0.000 1.215 363 W CA 1.610 58.962 57.345 0.011 0.000 1.236 363 W CB -0.106 29.338 29.460 -0.027 0.000 1.130 363 W HN 0.284 nan 8.180 nan 0.000 0.541 364 G N 0.409 109.323 108.800 0.191 0.000 2.491 364 G HA2 0.116 4.076 3.960 -0.001 0.000 0.218 364 G HA3 0.116 4.076 3.960 -0.001 0.000 0.218 364 G C 0.610 175.505 174.900 -0.008 0.000 1.180 364 G CA 1.377 46.529 45.100 0.087 0.000 0.774 364 G HN 0.532 nan 8.290 nan 0.000 0.562 365 G N -2.246 106.549 108.800 -0.008 0.000 2.353 365 G HA2 0.438 4.398 3.960 -0.001 0.000 0.424 365 G HA3 0.438 4.398 3.960 -0.001 0.000 0.424 365 G C 0.212 175.095 174.900 -0.029 0.000 1.320 365 G CA 0.395 45.475 45.100 -0.033 0.000 0.995 365 G HN 1.953 nan 8.290 nan 0.000 0.580 366 S N -2.086 113.601 115.700 -0.022 0.000 3.578 366 S HA -0.185 4.284 4.470 -0.001 0.000 0.449 366 S C 0.021 174.589 174.600 -0.053 0.000 0.853 366 S CA 0.988 59.176 58.200 -0.020 0.000 1.348 366 S CB -2.202 60.989 63.200 -0.016 0.000 0.907 366 S HN 1.698 nan 8.310 nan 0.000 0.627 367 I N 1.655 122.171 120.570 -0.088 0.000 2.306 367 I HA 0.253 4.422 4.170 -0.001 0.000 0.288 367 I C 0.766 176.704 176.117 -0.299 0.000 1.036 367 I CA -0.366 60.774 61.300 -0.267 0.000 1.221 367 I CB 0.907 38.594 38.000 -0.521 0.000 1.385 367 I HN 0.472 nan 8.210 nan 0.000 0.472 368 E N 6.495 126.617 120.200 -0.130 0.000 1.893 368 E HA 0.131 4.480 4.350 -0.001 0.000 0.269 368 E C -0.566 176.023 176.600 -0.019 0.000 1.129 368 E CA -0.367 56.049 56.400 0.027 0.000 0.904 368 E CB 0.245 30.040 29.700 0.158 0.000 1.077 368 E HN 0.431 nan 8.360 nan 0.000 0.407 369 F N 2.918 122.878 119.950 0.017 0.000 2.546 369 F HA -0.038 4.488 4.527 -0.001 0.000 0.379 369 F C 0.986 176.737 175.800 -0.081 0.000 1.179 369 F CA 0.202 58.146 58.000 -0.094 0.000 1.337 369 F CB -0.538 38.380 39.000 -0.136 0.000 1.764 369 F HN 0.144 nan 8.300 nan 0.000 0.673 370 K N -0.147 120.253 120.400 0.000 0.000 2.679 370 K HA 0.197 4.516 4.320 -0.001 0.000 0.280 370 K C 1.678 178.207 176.600 -0.120 0.000 1.040 370 K CA 0.145 56.465 56.287 0.055 0.000 1.002 370 K CB -0.285 32.359 32.500 0.240 0.000 1.276 370 K HN 0.069 nan 8.250 nan 0.000 0.492 371 T N 1.102 115.665 114.554 0.015 0.000 2.809 371 T HA -0.008 4.341 4.350 -0.001 0.000 0.260 371 T C -1.266 173.243 174.700 -0.319 0.000 1.039 371 T CA 1.080 63.140 62.100 -0.067 0.000 1.141 371 T CB -0.710 68.359 68.868 0.334 0.000 0.869 371 T HN 0.375 nan 8.240 nan 0.000 0.437 372 P HA 0.009 nan 4.420 nan 0.000 0.221 372 P C 1.328 178.215 177.300 -0.689 0.000 1.145 372 P CA 0.766 63.612 63.100 -0.424 0.000 0.795 372 P CB -0.062 31.376 31.700 -0.436 0.000 0.775 373 M N -1.754 117.259 119.600 -0.977 0.000 2.558 373 M HA 0.039 4.518 4.480 -0.001 0.000 0.255 373 M C 1.380 177.454 176.300 -0.377 0.000 1.113 373 M CA 1.389 56.286 55.300 -0.671 0.000 1.097 373 M CB -0.818 31.360 32.600 -0.704 0.000 1.426 373 M HN -0.151 nan 8.290 nan 0.000 0.488 374 L N -2.374 118.479 121.223 -0.616 0.000 2.130 374 L HA -0.027 4.313 4.340 -0.001 0.000 0.200 374 L C 1.979 178.173 176.870 -1.128 0.000 1.075 374 L CA 0.899 55.108 54.840 -1.052 0.000 0.768 374 L CB -0.898 40.147 42.059 -1.690 0.000 0.933 374 L HN 0.346 nan 8.230 nan 0.000 0.451 375 W N 0.567 121.327 121.300 -0.899 0.000 2.325 375 W HA -0.250 4.409 4.660 -0.001 0.000 0.299 375 W C 2.672 179.117 176.519 -0.123 0.000 1.215 375 W CA 0.790 57.809 57.345 -0.543 0.000 1.244 375 W CB -0.240 28.939 29.460 -0.468 0.000 1.140 375 W HN 0.163 nan 8.180 nan 0.000 0.523 376 A N -0.489 122.321 122.820 -0.016 0.000 1.854 376 A HA -0.149 4.171 4.320 -0.001 0.000 0.214 376 A C 1.677 179.299 177.584 0.064 0.000 1.192 376 A CA 1.201 53.191 52.037 -0.079 0.000 0.611 376 A CB -1.315 17.508 19.000 -0.295 0.000 0.832 376 A HN 0.245 nan 8.150 nan 0.000 0.442 377 F N 0.884 120.776 119.950 -0.097 0.000 2.154 377 F HA -0.152 4.374 4.527 -0.001 0.000 0.301 377 F C 2.513 178.408 175.800 0.157 0.000 1.087 377 F CA 1.476 59.476 58.000 0.000 0.000 1.274 377 F CB -0.514 38.455 39.000 -0.052 0.000 1.009 377 F HN 0.281 nan 8.300 nan 0.000 0.485 378 G N -0.899 108.157 108.800 0.427 0.000 2.434 378 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.214 378 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.214 378 G C 1.636 176.889 174.900 0.590 0.000 1.202 378 G CA 0.730 46.285 45.100 0.758 0.000 0.788 378 G HN 0.425 nan 8.290 nan 0.000 0.539 379 F N 0.934 121.185 119.950 0.501 0.000 2.091 379 F HA -0.151 4.376 4.527 -0.001 0.000 0.299 379 F C 2.336 178.210 175.800 0.123 0.000 1.103 379 F CA 1.582 59.699 58.000 0.194 0.000 1.228 379 F CB -0.296 38.789 39.000 0.142 0.000 0.984 379 F HN 0.108 nan 8.300 nan 0.000 0.477 380 L N -0.199 121.226 121.223 0.337 0.000 1.997 380 L HA -0.253 4.086 4.340 -0.001 0.000 0.216 380 L C 2.224 179.214 176.870 0.199 0.000 1.074 380 L CA 2.171 57.121 54.840 0.183 0.000 0.763 380 L CB -1.236 40.851 42.059 0.046 0.000 0.890 380 L HN 0.371 nan 8.230 nan 0.000 0.434 381 F N -0.494 119.528 119.950 0.121 0.000 2.053 381 F HA -0.153 4.374 4.527 -0.001 0.000 0.292 381 F C 2.163 178.018 175.800 0.092 0.000 1.125 381 F CA 1.584 59.673 58.000 0.149 0.000 1.193 381 F CB -0.647 38.504 39.000 0.252 0.000 0.996 381 F HN -0.065 nan 8.300 nan 0.000 0.470 382 L N -0.615 120.572 121.223 -0.061 0.000 2.349 382 L HA -0.232 4.108 4.340 -0.001 0.000 0.220 382 L C 2.310 179.021 176.870 -0.266 0.000 1.130 382 L CA 1.188 55.860 54.840 -0.280 0.000 0.791 382 L CB -0.880 40.946 42.059 -0.389 0.000 0.918 382 L HN 0.279 nan 8.230 nan 0.000 0.444 383 F N 0.558 120.230 119.950 -0.463 0.000 2.220 383 F HA -0.103 4.423 4.527 -0.001 0.000 0.290 383 F C 2.518 178.145 175.800 -0.287 0.000 1.080 383 F CA 1.429 59.116 58.000 -0.522 0.000 1.318 383 F CB -0.357 38.035 39.000 -1.014 0.000 1.063 383 F HN -0.146 nan 8.300 nan 0.000 0.498 384 T N 0.421 114.845 114.554 -0.216 0.000 2.624 384 T HA -0.230 4.119 4.350 -0.001 0.000 0.268 384 T C 2.177 176.698 174.700 -0.299 0.000 1.041 384 T CA 1.989 63.967 62.100 -0.204 0.000 1.159 384 T CB -0.782 68.071 68.868 -0.025 0.000 0.863 384 T HN 0.110 nan 8.240 nan 0.000 0.434 385 V N 1.039 120.764 119.914 -0.315 0.000 2.287 385 V HA -0.175 3.945 4.120 -0.001 0.000 0.248 385 V C 2.799 178.666 176.094 -0.377 0.000 1.053 385 V CA 2.187 64.287 62.300 -0.334 0.000 1.027 385 V CB -1.263 30.350 31.823 -0.350 0.000 0.646 385 V HN 0.643 nan 8.190 nan 0.000 0.447 386 G N -0.629 107.951 108.800 -0.367 0.000 2.408 386 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.217 386 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.217 386 G C 1.581 176.274 174.900 -0.345 0.000 1.150 386 G CA 0.860 45.747 45.100 -0.356 0.000 0.776 386 G HN 0.606 nan 8.290 nan 0.000 0.542 387 G N -0.018 108.437 108.800 -0.575 0.000 2.421 387 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.217 387 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.217 387 G C 1.672 176.413 174.900 -0.264 0.000 1.143 387 G CA 0.887 45.712 45.100 -0.459 0.000 0.784 387 G HN 0.302 nan 8.290 nan 0.000 0.541 388 V N 1.624 121.377 119.914 -0.269 0.000 2.515 388 V HA -0.128 3.992 4.120 -0.001 0.000 0.250 388 V C 3.275 179.239 176.094 -0.216 0.000 1.058 388 V CA 2.481 64.655 62.300 -0.210 0.000 1.064 388 V CB -0.340 31.368 31.823 -0.191 0.000 0.675 388 V HN 0.634 nan 8.190 nan 0.000 0.461 389 T N -2.932 111.464 114.554 -0.262 0.000 3.072 389 T HA 0.017 4.367 4.350 -0.001 0.000 0.266 389 T C 1.766 176.248 174.700 -0.364 0.000 1.127 389 T CA 1.107 63.035 62.100 -0.286 0.000 1.107 389 T CB -0.110 68.489 68.868 -0.448 0.000 0.910 389 T HN 0.451 nan 8.240 nan 0.000 0.513 390 G N 0.994 109.574 108.800 -0.367 0.000 2.408 390 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.215 390 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.215 390 G C 1.535 176.246 174.900 -0.313 0.000 1.156 390 G CA 0.617 45.415 45.100 -0.503 0.000 0.793 390 G HN 0.464 nan 8.290 nan 0.000 0.535 391 V N 0.679 120.468 119.914 -0.208 0.000 2.343 391 V HA -0.165 3.955 4.120 -0.001 0.000 0.247 391 V C 2.999 179.012 176.094 -0.135 0.000 1.051 391 V CA 1.338 63.550 62.300 -0.148 0.000 1.036 391 V CB -0.279 31.473 31.823 -0.118 0.000 0.654 391 V HN 0.232 nan 8.190 nan 0.000 0.451 392 V N 0.304 120.135 119.914 -0.138 0.000 2.231 392 V HA -0.294 3.826 4.120 -0.001 0.000 0.248 392 V C 2.218 178.269 176.094 -0.072 0.000 1.054 392 V CA 2.430 64.677 62.300 -0.089 0.000 1.015 392 V CB -0.627 31.157 31.823 -0.064 0.000 0.638 392 V HN 0.500 nan 8.190 nan 0.000 0.444 393 L N 0.991 122.135 121.223 -0.132 0.000 2.456 393 L HA -0.080 4.259 4.340 -0.001 0.000 0.224 393 L C 2.592 179.435 176.870 -0.045 0.000 1.148 393 L CA 1.207 55.998 54.840 -0.082 0.000 0.825 393 L CB -0.897 41.044 42.059 -0.197 0.000 0.937 393 L HN 0.511 nan 8.230 nan 0.000 0.450 394 S N -0.588 115.053 115.700 -0.098 0.000 2.359 394 S HA -0.169 4.300 4.470 -0.001 0.000 0.224 394 S C 1.156 175.806 174.600 0.083 0.000 1.035 394 S CA 0.571 58.753 58.200 -0.032 0.000 1.018 394 S CB -0.448 62.703 63.200 -0.082 0.000 0.876 394 S HN 0.420 nan 8.310 nan 0.000 0.448 395 Q N 1.869 121.652 119.800 -0.028 0.000 2.283 395 Q HA 0.391 4.731 4.340 -0.001 0.000 0.269 395 Q C 1.452 177.328 176.000 -0.207 0.000 1.187 395 Q CA 0.523 56.260 55.803 -0.110 0.000 0.922 395 Q CB 0.209 28.884 28.738 -0.104 0.000 1.323 395 Q HN 0.526 nan 8.270 nan 0.000 0.432 396 A N 7.679 130.199 122.820 -0.500 0.000 1.881 396 A HA -0.214 4.106 4.320 -0.001 0.000 0.219 396 A C -0.225 177.127 177.584 -0.387 0.000 1.215 396 A CA 1.833 53.370 52.037 -0.833 0.000 0.648 396 A CB -1.614 16.712 19.000 -1.123 0.000 0.832 396 A HN 0.608 nan 8.150 nan 0.000 0.455 397 P HA -0.205 nan 4.420 nan 0.000 0.216 397 P C 1.618 178.801 177.300 -0.195 0.000 1.157 397 P CA 1.510 64.488 63.100 -0.204 0.000 0.880 397 P CB -0.297 31.302 31.700 -0.169 0.000 0.791 398 L N -0.474 120.637 121.223 -0.187 0.000 2.056 398 L HA -0.142 4.198 4.340 -0.001 0.000 0.207 398 L C 2.518 179.261 176.870 -0.212 0.000 1.078 398 L CA 1.904 56.610 54.840 -0.222 0.000 0.749 398 L CB -1.234 40.748 42.059 -0.130 0.000 0.901 398 L HN 0.010 nan 8.230 nan 0.000 0.433 399 D N 0.040 120.403 120.400 -0.062 0.000 2.263 399 D HA -0.179 4.460 4.640 -0.001 0.000 0.208 399 D C 2.226 178.550 176.300 0.041 0.000 0.971 399 D CA 0.757 54.806 54.000 0.082 0.000 0.867 399 D CB 0.176 41.092 40.800 0.194 0.000 0.929 399 D HN 0.008 nan 8.370 nan 0.000 0.492 400 R N -0.737 119.722 120.500 -0.069 0.000 2.152 400 R HA -0.062 4.278 4.340 -0.001 0.000 0.232 400 R C 1.948 178.222 176.300 -0.044 0.000 1.117 400 R CA 1.268 57.341 56.100 -0.045 0.000 0.981 400 R CB 0.081 30.329 30.300 -0.087 0.000 0.870 400 R HN 0.273 nan 8.270 nan 0.000 0.451 401 V N -3.159 116.652 119.914 -0.171 0.000 3.647 401 V HA 0.111 4.230 4.120 -0.001 0.000 0.279 401 V C 0.927 176.931 176.094 -0.150 0.000 1.314 401 V CA 0.503 62.681 62.300 -0.202 0.000 1.125 401 V CB -0.291 31.335 31.823 -0.329 0.000 0.907 401 V HN 0.089 nan 8.190 nan 0.000 0.434 402 Y N -0.080 120.194 120.300 -0.043 0.000 2.522 402 Y HA 0.360 4.910 4.550 -0.001 0.000 0.277 402 Y C 1.462 177.387 175.900 0.041 0.000 1.104 402 Y CA -0.706 57.368 58.100 -0.044 0.000 1.260 402 Y CB -0.717 37.669 38.460 -0.124 0.000 1.151 402 Y HN 0.439 nan 8.280 nan 0.000 0.539 403 H N 2.200 121.358 119.070 0.147 0.000 3.214 403 H HA 0.017 4.572 4.556 -0.001 0.000 0.291 403 H C -0.267 175.111 175.328 0.084 0.000 0.926 403 H CA 0.601 56.709 56.048 0.101 0.000 1.409 403 H CB -0.349 29.462 29.762 0.080 0.000 1.406 403 H HN 0.281 nan 8.280 nan 0.000 0.561 404 D N 1.915 122.072 120.400 -0.404 0.000 2.739 404 D HA -0.164 4.476 4.640 -0.001 0.000 0.240 404 D C -0.721 175.494 176.300 -0.142 0.000 1.114 404 D CA 1.516 55.316 54.000 -0.333 0.000 0.695 404 D CB -0.837 39.712 40.800 -0.419 0.000 1.078 404 D HN 0.857 nan 8.370 nan 0.000 0.434 405 T N -4.481 110.038 114.554 -0.059 0.000 2.883 405 T HA 0.449 4.798 4.350 -0.001 0.000 0.301 405 T C 0.729 175.422 174.700 -0.012 0.000 1.158 405 T CA -0.889 61.215 62.100 0.006 0.000 1.007 405 T CB 0.899 69.830 68.868 0.105 0.000 1.186 405 T HN -0.020 nan 8.240 nan 0.000 0.499 406 Y N -0.156 120.076 120.300 -0.114 0.000 2.569 406 Y HA -0.046 4.503 4.550 -0.001 0.000 0.293 406 Y C 2.015 177.819 175.900 -0.160 0.000 1.144 406 Y CA 0.933 58.943 58.100 -0.150 0.000 1.321 406 Y CB -0.390 37.945 38.460 -0.208 0.000 0.982 406 Y HN 0.839 nan 8.280 nan 0.000 0.558 407 Y N -0.839 119.398 120.300 -0.106 0.000 2.242 407 Y HA -0.239 4.311 4.550 -0.001 0.000 0.291 407 Y C 2.217 177.978 175.900 -0.232 0.000 1.137 407 Y CA 1.264 59.240 58.100 -0.206 0.000 1.181 407 Y CB -0.286 37.908 38.460 -0.444 0.000 0.989 407 Y HN -0.093 nan 8.280 nan 0.000 0.527 408 V N -0.861 119.049 119.914 -0.006 0.000 2.270 408 V HA -0.266 3.853 4.120 -0.001 0.000 0.245 408 V C 1.915 177.865 176.094 -0.240 0.000 1.043 408 V CA 1.779 64.082 62.300 0.006 0.000 1.014 408 V CB -0.533 31.346 31.823 0.093 0.000 0.645 408 V HN 0.244 nan 8.190 nan 0.000 0.447 409 V N 0.270 119.940 119.914 -0.407 0.000 3.546 409 V HA 0.041 4.160 4.120 -0.001 0.000 0.272 409 V C 1.624 177.334 176.094 -0.640 0.000 1.228 409 V CA 1.317 63.147 62.300 -0.783 0.000 1.184 409 V CB -0.942 30.483 31.823 -0.664 0.000 0.886 409 V HN 0.527 nan 8.190 nan 0.000 0.508 410 A N -1.023 121.484 122.820 -0.522 0.000 2.427 410 A HA 0.185 4.504 4.320 -0.001 0.000 0.225 410 A C 1.755 179.117 177.584 -0.371 0.000 1.257 410 A CA 0.551 52.281 52.037 -0.512 0.000 0.985 410 A CB -0.123 18.351 19.000 -0.877 0.000 1.136 410 A HN 0.616 nan 8.150 nan 0.000 0.538 411 H N -0.278 118.539 119.070 -0.421 0.000 2.388 411 H HA 0.036 4.592 4.556 -0.001 0.000 0.304 411 H C 1.504 176.700 175.328 -0.219 0.000 1.049 411 H CA 1.966 57.812 56.048 -0.337 0.000 1.371 411 H CB -0.484 29.092 29.762 -0.311 0.000 1.436 411 H HN 0.459 nan 8.280 nan 0.000 0.544 412 F N -0.526 119.011 119.950 -0.688 0.000 2.502 412 F HA 0.128 4.655 4.527 -0.001 0.000 0.298 412 F C 1.397 176.825 175.800 -0.620 0.000 1.111 412 F CA 0.869 58.437 58.000 -0.721 0.000 1.445 412 F CB -1.009 37.743 39.000 -0.413 0.000 1.081 412 F HN 0.184 nan 8.300 nan 0.000 0.558 413 H N -1.581 117.126 119.070 -0.605 0.000 2.403 413 H HA 0.010 4.565 4.556 -0.001 0.000 0.298 413 H C 1.559 176.498 175.328 -0.648 0.000 1.059 413 H CA 1.985 57.559 56.048 -0.790 0.000 1.363 413 H CB -0.550 28.097 29.762 -1.857 0.000 1.410 413 H HN 0.195 nan 8.280 nan 0.000 0.528 414 Y N 0.342 120.309 120.300 -0.556 0.000 2.274 414 Y HA -0.208 4.342 4.550 -0.001 0.000 0.290 414 Y C 2.469 178.157 175.900 -0.354 0.000 1.145 414 Y CA 1.356 59.216 58.100 -0.400 0.000 1.203 414 Y CB -0.272 37.974 38.460 -0.356 0.000 0.984 414 Y HN 0.177 nan 8.280 nan 0.000 0.533 415 V N -3.718 116.046 119.914 -0.250 0.000 2.500 415 V HA -0.138 3.981 4.120 -0.001 0.000 0.243 415 V C 1.876 177.918 176.094 -0.087 0.000 1.039 415 V CA 1.064 63.267 62.300 -0.161 0.000 1.053 415 V CB -0.499 31.167 31.823 -0.261 0.000 0.695 415 V HN 0.217 nan 8.190 nan 0.000 0.463 416 M N 0.720 120.205 119.600 -0.191 0.000 2.102 416 M HA 0.015 4.494 4.480 -0.001 0.000 0.240 416 M C 2.501 178.707 176.300 -0.156 0.000 1.170 416 M CA 1.802 56.987 55.300 -0.190 0.000 1.121 416 M CB -0.718 31.719 32.600 -0.272 0.000 1.180 416 M HN 0.332 nan 8.290 nan 0.000 0.436 417 S N 0.353 115.942 115.700 -0.185 0.000 2.528 417 S HA 0.008 4.477 4.470 -0.001 0.000 0.244 417 S C 1.355 175.937 174.600 -0.030 0.000 0.982 417 S CA 0.832 58.988 58.200 -0.073 0.000 0.953 417 S CB -0.256 62.971 63.200 0.044 0.000 0.754 417 S HN 0.319 nan 8.310 nan 0.000 0.529 418 L N -1.319 119.811 121.223 -0.155 0.000 3.086 418 L HA 0.363 4.702 4.340 -0.001 0.000 0.274 418 L C 1.569 178.247 176.870 -0.320 0.000 1.184 418 L CA 0.398 55.079 54.840 -0.266 0.000 1.002 418 L CB 0.427 42.145 42.059 -0.570 0.000 1.383 418 L HN 0.338 nan 8.230 nan 0.000 0.582 419 G N -0.458 108.302 108.800 -0.066 0.000 2.561 419 G HA2 0.158 4.117 3.960 -0.001 0.000 0.197 419 G HA3 0.158 4.117 3.960 -0.001 0.000 0.197 419 G C 1.407 176.561 174.900 0.424 0.000 1.250 419 G CA 0.815 45.969 45.100 0.090 0.000 0.703 419 G HN 0.096 nan 8.290 nan 0.000 0.625 420 A N 0.473 123.407 122.820 0.190 0.000 1.908 420 A HA 0.081 4.400 4.320 -0.001 0.000 0.218 420 A C 2.499 180.052 177.584 -0.052 0.000 1.181 420 A CA 2.199 54.274 52.037 0.063 0.000 0.627 420 A CB -0.753 18.204 19.000 -0.072 0.000 0.818 420 A HN 0.396 nan 8.150 nan 0.000 0.445 421 V N -1.719 118.135 119.914 -0.100 0.000 2.515 421 V HA -0.174 3.946 4.120 -0.001 0.000 0.250 421 V C 2.192 178.010 176.094 -0.460 0.000 1.058 421 V CA 1.608 63.709 62.300 -0.331 0.000 1.064 421 V CB -0.906 30.736 31.823 -0.301 0.000 0.675 421 V HN 0.529 nan 8.190 nan 0.000 0.461 422 F N 1.632 121.427 119.950 -0.259 0.000 2.365 422 F HA 0.011 4.538 4.527 -0.001 0.000 0.300 422 F C 2.142 177.807 175.800 -0.224 0.000 1.090 422 F CA 1.156 59.082 58.000 -0.122 0.000 1.408 422 F CB -0.722 38.450 39.000 0.285 0.000 1.060 422 F HN 0.184 nan 8.300 nan 0.000 0.534 423 G N -0.148 108.604 108.800 -0.080 0.000 2.396 423 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.214 423 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.214 423 G C 1.849 176.552 174.900 -0.329 0.000 1.166 423 G CA 0.543 45.465 45.100 -0.298 0.000 0.793 423 G HN 0.300 nan 8.290 nan 0.000 0.533 424 I N 0.210 120.583 120.570 -0.328 0.000 2.091 424 I HA -0.250 3.919 4.170 -0.001 0.000 0.239 424 I C 2.609 178.548 176.117 -0.297 0.000 1.061 424 I CA 1.476 62.644 61.300 -0.219 0.000 1.317 424 I CB -0.485 37.319 38.000 -0.327 0.000 1.031 424 I HN 0.162 nan 8.210 nan 0.000 0.401 425 F N 0.902 120.463 119.950 -0.648 0.000 2.043 425 F HA -0.298 4.228 4.527 -0.001 0.000 0.297 425 F C 2.765 178.037 175.800 -0.881 0.000 1.121 425 F CA 0.889 58.213 58.000 -1.127 0.000 1.199 425 F CB -0.708 36.779 39.000 -2.522 0.000 0.968 425 F HN 0.073 nan 8.300 nan 0.000 0.478 426 A N 0.412 122.898 122.820 -0.557 0.000 2.054 426 A HA -0.211 4.109 4.320 -0.001 0.000 0.223 426 A C 2.327 179.702 177.584 -0.348 0.000 1.169 426 A CA 2.080 53.945 52.037 -0.287 0.000 0.655 426 A CB -1.533 17.284 19.000 -0.305 0.000 0.812 426 A HN 0.498 nan 8.150 nan 0.000 0.462 427 G N -1.238 107.315 108.800 -0.412 0.000 2.447 427 G HA2 0.074 4.033 3.960 -0.001 0.000 0.211 427 G HA3 0.074 4.033 3.960 -0.001 0.000 0.211 427 G C 1.386 176.201 174.900 -0.143 0.000 1.184 427 G CA 0.820 45.538 45.100 -0.636 0.000 0.813 427 G HN 0.312 nan 8.290 nan 0.000 0.540 428 V N 0.236 120.297 119.914 0.245 0.000 2.546 428 V HA -0.223 3.897 4.120 -0.001 0.000 0.254 428 V C 2.181 178.651 176.094 0.627 0.000 1.076 428 V CA 1.411 64.070 62.300 0.597 0.000 1.087 428 V CB -0.804 31.435 31.823 0.693 0.000 0.674 428 V HN 0.559 nan 8.190 nan 0.000 0.470 429 Y N -3.012 117.355 120.300 0.111 0.000 2.500 429 Y HA -0.008 4.542 4.550 -0.001 0.000 0.270 429 Y C 2.189 178.221 175.900 0.220 0.000 1.134 429 Y CA 0.345 58.389 58.100 -0.095 0.000 1.293 429 Y CB 0.215 38.517 38.460 -0.263 0.000 1.063 429 Y HN 0.286 nan 8.280 nan 0.000 0.534 430 Y N -1.302 119.110 120.300 0.186 0.000 2.476 430 Y HA -0.022 4.528 4.550 -0.001 0.000 0.283 430 Y C 0.626 176.801 175.900 0.459 0.000 1.109 430 Y CA 0.481 58.682 58.100 0.169 0.000 1.246 430 Y CB 0.274 38.414 38.460 -0.533 0.000 1.068 430 Y HN 0.024 nan 8.280 nan 0.000 0.552 431 W N -0.389 121.208 121.300 0.496 0.000 2.128 431 W HA 0.269 4.929 4.660 -0.001 0.000 0.356 431 W C 0.796 177.563 176.519 0.413 0.000 0.891 431 W CA -0.800 56.781 57.345 0.393 0.000 2.408 431 W CB -0.354 29.177 29.460 0.118 0.000 1.234 431 W HN 0.052 nan 8.180 nan 0.000 0.597 432 I N 0.378 121.297 120.570 0.581 0.000 2.703 432 I HA 0.135 4.305 4.170 -0.001 0.000 0.259 432 I C 2.255 178.586 176.117 0.357 0.000 1.151 432 I CA 1.824 63.373 61.300 0.415 0.000 1.470 432 I CB -0.610 37.579 38.000 0.314 0.000 1.112 432 I HN -0.008 nan 8.210 nan 0.000 0.437 433 G N 0.046 109.087 108.800 0.401 0.000 2.421 433 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.217 433 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.217 433 G C 1.759 176.987 174.900 0.546 0.000 1.143 433 G CA 0.809 46.067 45.100 0.263 0.000 0.784 433 G HN 0.391 nan 8.290 nan 0.000 0.541 434 K N -0.462 120.338 120.400 0.667 0.000 2.186 434 K HA 0.218 4.537 4.320 -0.001 0.000 0.202 434 K C 2.453 179.226 176.600 0.288 0.000 1.052 434 K CA 0.267 56.810 56.287 0.427 0.000 0.965 434 K CB -0.142 32.499 32.500 0.236 0.000 0.746 434 K HN 0.237 nan 8.250 nan 0.000 0.457 435 M N -0.394 119.366 119.600 0.265 0.000 2.229 435 M HA -0.052 4.427 4.480 -0.001 0.000 0.264 435 M C 0.928 177.317 176.300 0.147 0.000 1.063 435 M CA 1.230 56.575 55.300 0.075 0.000 1.114 435 M CB 0.387 32.910 32.600 -0.128 0.000 1.387 435 M HN -0.056 nan 8.290 nan 0.000 0.420 436 S N -1.311 114.495 115.700 0.177 0.000 3.031 436 S HA 0.364 4.834 4.470 -0.001 0.000 0.253 436 S C 0.848 175.533 174.600 0.141 0.000 0.996 436 S CA 0.311 58.607 58.200 0.160 0.000 1.098 436 S CB 0.733 64.026 63.200 0.156 0.000 1.042 436 S HN 0.670 nan 8.310 nan 0.000 0.593 437 G N 2.043 110.941 108.800 0.165 0.000 2.353 437 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.258 437 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.258 437 G C 0.165 175.127 174.900 0.104 0.000 1.013 437 G CA 0.510 45.698 45.100 0.147 0.000 0.622 437 G HN 0.478 nan 8.290 nan 0.000 0.535 438 R N 0.471 121.019 120.500 0.080 0.000 2.357 438 R HA 0.656 4.995 4.340 -0.001 0.000 0.296 438 R C 0.235 176.543 176.300 0.013 0.000 1.052 438 R CA -0.307 55.807 56.100 0.025 0.000 0.988 438 R CB 1.205 31.508 30.300 0.006 0.000 1.025 438 R HN 0.501 nan 8.270 nan 0.000 0.469 439 Q N 2.217 121.979 119.800 -0.064 0.000 2.214 439 Q HA 0.257 4.596 4.340 -0.001 0.000 0.251 439 Q C -1.229 174.743 176.000 -0.047 0.000 0.936 439 Q CA -0.822 54.915 55.803 -0.110 0.000 0.894 439 Q CB 0.795 29.346 28.738 -0.313 0.000 1.252 439 Q HN 0.550 nan 8.270 nan 0.000 0.448 440 Y N 1.619 121.831 120.300 -0.147 0.000 2.326 440 Y HA 0.603 5.152 4.550 -0.001 0.000 0.333 440 Y C -2.311 173.492 175.900 -0.161 0.000 1.240 440 Y CA -3.045 54.947 58.100 -0.179 0.000 1.365 440 Y CB 0.091 38.349 38.460 -0.335 0.000 1.289 440 Y HN 0.515 nan 8.280 nan 0.000 0.548 441 P HA 0.068 nan 4.420 nan 0.000 0.274 441 P C 0.186 177.125 177.300 -0.601 0.000 1.504 441 P CA -0.080 62.765 63.100 -0.425 0.000 1.011 441 P CB 1.376 32.914 31.700 -0.270 0.000 1.366 442 E N 3.681 123.554 120.200 -0.545 0.000 2.686 442 E HA -0.248 4.102 4.350 -0.001 0.000 0.240 442 E C 1.811 178.334 176.600 -0.128 0.000 0.925 442 E CA 2.318 58.571 56.400 -0.246 0.000 1.203 442 E CB -1.146 28.539 29.700 -0.024 0.000 1.211 442 E HN 0.668 nan 8.360 nan 0.000 0.506 443 W N 0.441 121.799 121.300 0.096 0.000 2.308 443 W HA -0.178 4.481 4.660 -0.001 0.000 0.301 443 W C 1.997 178.652 176.519 0.227 0.000 1.220 443 W CA 1.506 58.939 57.345 0.148 0.000 1.240 443 W CB -1.269 28.251 29.460 0.099 0.000 1.142 443 W HN 0.170 nan 8.180 nan 0.000 0.521 444 A N 2.087 124.126 122.820 -1.301 0.000 1.883 444 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 444 A C 2.459 180.061 177.584 0.030 0.000 1.186 444 A CA 2.873 54.414 52.037 -0.826 0.000 0.624 444 A CB -1.558 16.769 19.000 -1.121 0.000 0.822 444 A HN 0.414 nan 8.150 nan 0.000 0.444 445 G N -1.945 106.888 108.800 0.056 0.000 2.396 445 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.214 445 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.214 445 G C 1.553 176.694 174.900 0.402 0.000 1.166 445 G CA 0.777 46.137 45.100 0.433 0.000 0.793 445 G HN 0.376 nan 8.290 nan 0.000 0.533 446 Q N -0.318 119.662 119.800 0.299 0.000 2.156 446 Q HA -0.158 4.182 4.340 -0.001 0.000 0.211 446 Q C 2.507 178.737 176.000 0.384 0.000 0.995 446 Q CA 1.290 57.266 55.803 0.289 0.000 0.877 446 Q CB -0.350 28.570 28.738 0.303 0.000 0.920 446 Q HN 0.479 nan 8.270 nan 0.000 0.416 447 L N -0.531 120.944 121.223 0.419 0.000 2.270 447 L HA -0.059 4.280 4.340 -0.001 0.000 0.210 447 L C 2.312 179.434 176.870 0.420 0.000 1.104 447 L CA 1.362 56.473 54.840 0.451 0.000 0.804 447 L CB -0.472 41.825 42.059 0.396 0.000 0.937 447 L HN 0.318 nan 8.230 nan 0.000 0.450 448 H N -1.246 118.029 119.070 0.342 0.000 2.387 448 H HA -0.268 4.288 4.556 -0.001 0.000 0.299 448 H C 2.026 177.394 175.328 0.067 0.000 1.090 448 H CA 1.824 58.079 56.048 0.345 0.000 1.332 448 H CB -0.116 29.932 29.762 0.477 0.000 1.386 448 H HN 0.503 nan 8.280 nan 0.000 0.516 449 F N -0.023 119.569 119.950 -0.596 0.000 2.333 449 F HA -0.185 4.342 4.527 -0.001 0.000 0.300 449 F C 1.163 176.553 175.800 -0.684 0.000 1.083 449 F CA 1.083 58.252 58.000 -1.385 0.000 1.395 449 F CB -0.156 37.842 39.000 -1.671 0.000 1.056 449 F HN 0.148 nan 8.300 nan 0.000 0.529 450 W N -0.655 120.385 121.300 -0.433 0.000 2.683 450 W HA 0.151 4.810 4.660 -0.001 0.000 0.267 450 W C 2.302 178.778 176.519 -0.073 0.000 1.243 450 W CA 0.127 57.282 57.345 -0.317 0.000 1.380 450 W CB -0.293 29.063 29.460 -0.175 0.000 1.063 450 W HN -0.101 nan 8.180 nan 0.000 0.599 451 M N 0.130 119.864 119.600 0.224 0.000 2.374 451 M HA -0.132 4.347 4.480 -0.001 0.000 0.264 451 M C 1.960 178.385 176.300 0.207 0.000 1.067 451 M CA 1.301 56.729 55.300 0.213 0.000 1.103 451 M CB -0.003 32.735 32.600 0.230 0.000 1.402 451 M HN 0.076 nan 8.290 nan 0.000 0.444 452 M N -0.457 119.244 119.600 0.168 0.000 2.171 452 M HA -0.012 4.467 4.480 -0.001 0.000 0.260 452 M C 1.652 178.122 176.300 0.283 0.000 1.087 452 M CA 1.575 57.021 55.300 0.244 0.000 1.154 452 M CB -0.735 32.031 32.600 0.277 0.000 1.331 452 M HN 0.288 nan 8.290 nan 0.000 0.431 453 F N 0.913 120.889 119.950 0.042 0.000 2.025 453 F HA -0.286 4.241 4.527 -0.001 0.000 0.297 453 F C 1.934 177.795 175.800 0.101 0.000 1.132 453 F CA 2.036 60.082 58.000 0.077 0.000 1.191 453 F CB -0.603 38.117 39.000 -0.468 0.000 0.963 453 F HN 0.146 nan 8.300 nan 0.000 0.481 454 I N 0.795 121.423 120.570 0.097 0.000 2.142 454 I HA -0.232 3.938 4.170 -0.001 0.000 0.240 454 I C 2.834 178.946 176.117 -0.008 0.000 1.078 454 I CA 1.758 63.077 61.300 0.032 0.000 1.343 454 I CB -2.235 35.877 38.000 0.188 0.000 1.046 454 I HN 0.368 nan 8.210 nan 0.000 0.405 455 G N -0.006 108.832 108.800 0.063 0.000 2.446 455 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.217 455 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.217 455 G C 1.845 176.741 174.900 -0.007 0.000 1.168 455 G CA 1.072 46.204 45.100 0.054 0.000 0.771 455 G HN 0.391 nan 8.290 nan 0.000 0.551 456 S N 0.515 116.223 115.700 0.013 0.000 2.356 456 S HA -0.138 4.332 4.470 -0.001 0.000 0.223 456 S C 2.136 176.656 174.600 -0.133 0.000 1.032 456 S CA 1.246 59.430 58.200 -0.026 0.000 1.005 456 S CB -0.488 62.785 63.200 0.121 0.000 0.867 456 S HN 0.580 nan 8.310 nan 0.000 0.449 457 N N 0.891 119.486 118.700 -0.174 0.000 2.037 457 N HA -0.139 4.600 4.740 -0.001 0.000 0.196 457 N C 1.520 177.016 175.510 -0.022 0.000 1.034 457 N CA 1.285 54.258 53.050 -0.128 0.000 0.861 457 N CB -0.318 38.030 38.487 -0.232 0.000 1.039 457 N HN 0.199 nan 8.380 nan 0.000 0.427 458 L N 0.859 122.044 121.223 -0.063 0.000 2.349 458 L HA -0.124 4.215 4.340 -0.001 0.000 0.220 458 L C 1.785 178.573 176.870 -0.137 0.000 1.130 458 L CA 0.785 55.604 54.840 -0.034 0.000 0.791 458 L CB -0.188 41.864 42.059 -0.011 0.000 0.918 458 L HN 0.298 nan 8.230 nan 0.000 0.444 459 I N -2.245 118.136 120.570 -0.315 0.000 2.406 459 I HA -0.201 3.969 4.170 -0.001 0.000 0.249 459 I C 1.641 177.267 176.117 -0.819 0.000 1.122 459 I CA 1.344 62.249 61.300 -0.658 0.000 1.431 459 I CB -0.145 37.218 38.000 -1.061 0.000 1.087 459 I HN 0.135 nan 8.210 nan 0.000 0.424 460 F N -1.268 118.623 119.950 -0.098 0.000 2.592 460 F HA 0.150 4.676 4.527 -0.001 0.000 0.280 460 F C 2.043 177.619 175.800 -0.373 0.000 1.083 460 F CA -0.031 57.862 58.000 -0.177 0.000 1.365 460 F CB -0.527 38.459 39.000 -0.023 0.000 1.100 460 F HN -0.221 nan 8.300 nan 0.000 0.633 461 F N 2.381 122.265 119.950 -0.111 0.000 2.154 461 F HA -0.140 4.387 4.527 -0.001 0.000 0.301 461 F C -0.910 174.449 175.800 -0.736 0.000 1.087 461 F CA 1.653 59.395 58.000 -0.429 0.000 1.274 461 F CB -1.229 37.658 39.000 -0.189 0.000 1.009 461 F HN -0.118 nan 8.300 nan 0.000 0.485 462 P HA -0.157 nan 4.420 nan 0.000 0.223 462 P C 0.962 177.993 177.300 -0.447 0.000 1.151 462 P CA 1.429 64.255 63.100 -0.456 0.000 0.787 462 P CB -0.103 31.556 31.700 -0.068 0.000 0.788 463 Q N -1.788 117.745 119.800 -0.444 0.000 2.297 463 Q HA -0.152 4.188 4.340 -0.001 0.000 0.204 463 Q C 1.709 177.489 176.000 -0.366 0.000 0.962 463 Q CA 1.053 56.656 55.803 -0.332 0.000 0.879 463 Q CB -0.681 27.928 28.738 -0.215 0.000 0.947 463 Q HN 0.555 nan 8.270 nan 0.000 0.462 464 H N -0.134 118.602 119.070 -0.557 0.000 2.357 464 H HA -0.077 4.478 4.556 -0.001 0.000 0.301 464 H C 1.664 176.911 175.328 -0.136 0.000 1.082 464 H CA 1.260 56.966 56.048 -0.569 0.000 1.342 464 H CB -0.059 29.060 29.762 -1.071 0.000 1.389 464 H HN 0.188 nan 8.280 nan 0.000 0.511 465 F N 0.659 120.522 119.950 -0.146 0.000 2.046 465 F HA -0.238 4.288 4.527 -0.001 0.000 0.297 465 F C 2.305 178.090 175.800 -0.025 0.000 1.123 465 F CA 0.559 58.479 58.000 -0.134 0.000 1.199 465 F CB -0.410 38.298 39.000 -0.485 0.000 0.972 465 F HN 0.022 nan 8.300 nan 0.000 0.474 466 L N 0.239 121.536 121.223 0.124 0.000 2.081 466 L HA -0.233 4.107 4.340 -0.001 0.000 0.212 466 L C 2.770 179.674 176.870 0.056 0.000 1.080 466 L CA 1.437 56.321 54.840 0.073 0.000 0.754 466 L CB -1.341 40.638 42.059 -0.133 0.000 0.893 466 L HN 0.264 nan 8.230 nan 0.000 0.433 467 G N -0.191 108.676 108.800 0.113 0.000 2.446 467 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.217 467 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.217 467 G C 1.676 176.729 174.900 0.256 0.000 1.168 467 G CA 0.714 45.937 45.100 0.204 0.000 0.771 467 G HN 0.332 nan 8.290 nan 0.000 0.551 468 R N -0.136 120.545 120.500 0.302 0.000 2.159 468 R HA -0.032 4.308 4.340 -0.001 0.000 0.237 468 R C 2.228 178.637 176.300 0.183 0.000 1.131 468 R CA 1.032 57.278 56.100 0.244 0.000 0.982 468 R CB -0.149 30.299 30.300 0.247 0.000 0.868 468 R HN 0.271 nan 8.270 nan 0.000 0.453 469 Q N -0.068 119.871 119.800 0.233 0.000 2.466 469 Q HA 0.058 4.397 4.340 -0.001 0.000 0.210 469 Q C 0.708 176.903 176.000 0.325 0.000 0.961 469 Q CA 0.770 56.753 55.803 0.301 0.000 0.953 469 Q CB 0.718 29.747 28.738 0.484 0.000 1.011 469 Q HN 0.578 nan 8.270 nan 0.000 0.516 470 G N 1.850 110.760 108.800 0.183 0.000 2.225 470 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.264 470 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.264 470 G C 0.004 174.909 174.900 0.008 0.000 1.060 470 G CA 0.441 45.614 45.100 0.121 0.000 0.833 470 G HN 0.387 nan 8.290 nan 0.000 0.498 471 M N 0.884 120.339 119.600 -0.243 0.000 2.184 471 M HA 0.390 4.870 4.480 -0.001 0.000 0.351 471 M C -2.003 174.095 176.300 -0.336 0.000 1.395 471 M CA -1.634 53.213 55.300 -0.755 0.000 1.117 471 M CB 0.804 32.759 32.600 -1.076 0.000 1.708 471 M HN 0.017 nan 8.290 nan 0.000 0.468 472 P HA 0.186 nan 4.420 nan 0.000 0.274 472 P C -1.539 175.617 177.300 -0.239 0.000 1.237 472 P CA -0.326 62.477 63.100 -0.494 0.000 0.793 472 P CB 0.495 31.468 31.700 -1.210 0.000 0.977 473 R N 1.232 121.628 120.500 -0.174 0.000 2.720 473 R HA 0.597 4.937 4.340 -0.001 0.000 0.272 473 R C -0.420 175.972 176.300 0.153 0.000 0.991 473 R CA -0.835 55.234 56.100 -0.052 0.000 1.010 473 R CB 0.826 31.005 30.300 -0.203 0.000 1.141 473 R HN 0.347 nan 8.270 nan 0.000 0.494 474 R N -0.148 120.553 120.500 0.336 0.000 3.423 474 R HA -0.214 4.125 4.340 -0.001 0.000 0.271 474 R C -1.378 175.338 176.300 0.693 0.000 1.093 474 R CA 0.869 57.288 56.100 0.532 0.000 0.730 474 R CB -2.221 28.276 30.300 0.328 0.000 1.190 474 R HN 0.644 nan 8.270 nan 0.000 0.437 475 Y N -0.575 119.912 120.300 0.312 0.000 2.350 475 Y HA 0.280 4.829 4.550 -0.001 0.000 0.338 475 Y C 1.457 176.953 175.900 -0.673 0.000 0.961 475 Y CA -0.883 57.191 58.100 -0.043 0.000 1.100 475 Y CB 1.548 40.022 38.460 0.024 0.000 1.179 475 Y HN 0.090 nan 8.280 nan 0.000 0.454 476 I N 1.288 121.330 120.570 -0.881 0.000 2.130 476 I HA -0.107 4.063 4.170 -0.001 0.000 0.234 476 I C 0.475 176.210 176.117 -0.637 0.000 1.067 476 I CA 1.309 61.824 61.300 -1.309 0.000 1.339 476 I CB 0.191 37.820 38.000 -0.620 0.000 1.073 476 I HN 0.553 nan 8.210 nan 0.000 0.405 477 D N -0.900 119.298 120.400 -0.338 0.000 2.253 477 D HA 0.296 4.936 4.640 -0.001 0.000 0.249 477 D C -1.280 175.026 176.300 0.010 0.000 1.049 477 D CA -0.100 53.778 54.000 -0.203 0.000 0.929 477 D CB 1.111 41.799 40.800 -0.186 0.000 1.176 477 D HN 0.264 nan 8.370 nan 0.000 0.437 478 Y N -1.285 119.022 120.300 0.012 0.000 2.615 478 Y HA 0.649 5.198 4.550 -0.001 0.000 0.341 478 Y C -2.822 173.189 175.900 0.184 0.000 1.089 478 Y CA -2.726 55.476 58.100 0.169 0.000 1.049 478 Y CB -0.034 38.542 38.460 0.195 0.000 1.296 478 Y HN 0.117 nan 8.280 nan 0.000 0.470 479 P HA -0.020 nan 4.420 nan 0.000 0.262 479 P C 0.949 178.390 177.300 0.235 0.000 1.199 479 P CA 0.131 63.386 63.100 0.258 0.000 0.763 479 P CB 1.176 32.974 31.700 0.164 0.000 0.790 480 V N 3.267 123.217 119.914 0.059 0.000 2.876 480 V HA -0.292 3.828 4.120 -0.001 0.000 0.265 480 V C 1.331 177.464 176.094 0.065 0.000 1.135 480 V CA 2.078 64.402 62.300 0.040 0.000 1.152 480 V CB -0.735 31.076 31.823 -0.021 0.000 0.727 480 V HN 0.470 nan 8.190 nan 0.000 0.511 481 E N -0.131 120.037 120.200 -0.053 0.000 2.299 481 E HA 0.071 4.420 4.350 -0.001 0.000 0.193 481 E C 1.423 177.978 176.600 -0.076 0.000 0.998 481 E CA 1.032 57.347 56.400 -0.143 0.000 0.851 481 E CB -0.200 29.312 29.700 -0.312 0.000 0.795 481 E HN 0.824 nan 8.360 nan 0.000 0.492 482 F N -0.258 119.826 119.950 0.223 0.000 2.731 482 F HA 0.229 4.755 4.527 -0.001 0.000 0.304 482 F C 1.858 177.775 175.800 0.194 0.000 1.133 482 F CA -0.234 57.834 58.000 0.113 0.000 1.380 482 F CB 0.205 39.097 39.000 -0.180 0.000 1.079 482 F HN 0.051 nan 8.300 nan 0.000 0.550 483 A N -0.225 122.890 122.820 0.491 0.000 1.968 483 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 483 A C 1.895 179.643 177.584 0.274 0.000 1.169 483 A CA 1.023 53.319 52.037 0.432 0.000 0.638 483 A CB -0.941 18.242 19.000 0.306 0.000 0.812 483 A HN 0.532 nan 8.150 nan 0.000 0.446 484 Y N -0.983 119.369 120.300 0.088 0.000 2.070 484 Y HA -0.277 4.272 4.550 -0.001 0.000 0.280 484 Y C 2.132 177.998 175.900 -0.057 0.000 1.148 484 Y CA 2.156 60.219 58.100 -0.061 0.000 1.125 484 Y CB -0.456 37.859 38.460 -0.243 0.000 0.975 484 Y HN 0.430 nan 8.280 nan 0.000 0.492 485 W N 0.883 122.320 121.300 0.228 0.000 2.467 485 W HA -0.096 4.564 4.660 -0.001 0.000 0.275 485 W C 2.357 178.835 176.519 -0.068 0.000 1.239 485 W CA 0.707 58.099 57.345 0.079 0.000 1.266 485 W CB -0.325 29.283 29.460 0.246 0.000 1.112 485 W HN 0.097 nan 8.180 nan 0.000 0.576 486 N N 0.926 119.708 118.700 0.136 0.000 2.205 486 N HA -0.212 4.527 4.740 -0.001 0.000 0.186 486 N C 1.376 176.857 175.510 -0.050 0.000 1.015 486 N CA 1.831 54.862 53.050 -0.031 0.000 0.862 486 N CB -0.400 38.042 38.487 -0.075 0.000 0.986 486 N HN 0.439 nan 8.380 nan 0.000 0.429 487 N N 0.720 119.382 118.700 -0.064 0.000 2.173 487 N HA -0.059 4.681 4.740 -0.001 0.000 0.184 487 N C 1.577 177.021 175.510 -0.109 0.000 1.025 487 N CA 0.633 53.605 53.050 -0.131 0.000 0.852 487 N CB -0.182 38.213 38.487 -0.153 0.000 0.998 487 N HN -0.057 nan 8.380 nan 0.000 0.427 488 I N 0.893 121.397 120.570 -0.110 0.000 2.530 488 I HA -0.146 4.023 4.170 -0.001 0.000 0.257 488 I C 2.174 178.288 176.117 -0.006 0.000 1.179 488 I CA 0.942 62.219 61.300 -0.039 0.000 1.440 488 I CB -1.536 36.482 38.000 0.029 0.000 1.087 488 I HN 0.388 nan 8.210 nan 0.000 0.440 489 S N -0.377 115.301 115.700 -0.036 0.000 2.489 489 S HA -0.016 4.454 4.470 -0.001 0.000 0.228 489 S C 2.075 176.523 174.600 -0.253 0.000 0.995 489 S CA 1.064 59.181 58.200 -0.138 0.000 0.934 489 S CB 0.098 63.211 63.200 -0.145 0.000 0.771 489 S HN 0.427 nan 8.310 nan 0.000 0.522 490 S N 0.965 116.507 115.700 -0.264 0.000 2.441 490 S HA 0.186 4.656 4.470 -0.001 0.000 0.224 490 S C 1.461 175.709 174.600 -0.586 0.000 1.043 490 S CA 0.142 58.034 58.200 -0.514 0.000 0.948 490 S CB -0.194 62.740 63.200 -0.444 0.000 0.810 490 S HN 0.378 nan 8.310 nan 0.000 0.504 491 I N 2.440 122.912 120.570 -0.164 0.000 2.423 491 I HA -0.089 4.081 4.170 -0.001 0.000 0.254 491 I C 2.277 178.414 176.117 0.034 0.000 1.151 491 I CA 0.882 62.227 61.300 0.074 0.000 1.421 491 I CB -0.992 37.056 38.000 0.080 0.000 1.079 491 I HN 0.358 nan 8.210 nan 0.000 0.431 492 G N -0.831 107.920 108.800 -0.081 0.000 2.492 492 G HA2 0.028 3.988 3.960 -0.001 0.000 0.214 492 G HA3 0.028 3.988 3.960 -0.001 0.000 0.214 492 G C 1.767 176.606 174.900 -0.101 0.000 1.147 492 G CA 0.508 45.568 45.100 -0.066 0.000 0.809 492 G HN 0.447 nan 8.290 nan 0.000 0.533 493 A N 0.055 122.725 122.820 -0.251 0.000 2.015 493 A HA 0.111 4.430 4.320 -0.001 0.000 0.219 493 A C 2.031 179.579 177.584 -0.060 0.000 1.163 493 A CA 0.918 52.809 52.037 -0.244 0.000 0.646 493 A CB -0.506 18.255 19.000 -0.399 0.000 0.806 493 A HN 0.489 nan 8.150 nan 0.000 0.448 494 Y N -0.312 120.032 120.300 0.073 0.000 2.130 494 Y HA -0.138 4.412 4.550 -0.001 0.000 0.287 494 Y C 2.383 178.398 175.900 0.192 0.000 1.124 494 Y CA 1.060 59.242 58.100 0.136 0.000 1.118 494 Y CB -0.289 38.228 38.460 0.096 0.000 0.994 494 Y HN 0.406 nan 8.280 nan 0.000 0.497 495 I N -1.175 119.576 120.570 0.300 0.000 2.423 495 I HA -0.279 3.891 4.170 -0.001 0.000 0.254 495 I C 1.991 178.259 176.117 0.251 0.000 1.151 495 I CA 1.642 63.083 61.300 0.236 0.000 1.421 495 I CB -0.233 37.867 38.000 0.168 0.000 1.079 495 I HN 0.061 nan 8.210 nan 0.000 0.431 496 S N 0.880 116.727 115.700 0.245 0.000 2.357 496 S HA -0.116 4.353 4.470 -0.001 0.000 0.221 496 S C 1.679 176.501 174.600 0.371 0.000 1.031 496 S CA 1.363 59.728 58.200 0.274 0.000 0.982 496 S CB -0.572 62.748 63.200 0.199 0.000 0.853 496 S HN 0.638 nan 8.310 nan 0.000 0.458 497 F N 2.601 122.689 119.950 0.231 0.000 2.236 497 F HA -0.178 4.349 4.527 -0.001 0.000 0.302 497 F C 2.131 178.114 175.800 0.305 0.000 1.073 497 F CA 0.743 58.906 58.000 0.271 0.000 1.336 497 F CB -0.582 38.572 39.000 0.256 0.000 1.040 497 F HN 0.177 nan 8.300 nan 0.000 0.507 498 A N -0.475 122.532 122.820 0.311 0.000 1.874 498 A HA -0.110 4.210 4.320 -0.001 0.000 0.214 498 A C 2.379 180.118 177.584 0.258 0.000 1.189 498 A CA 1.638 53.803 52.037 0.214 0.000 0.615 498 A CB -1.322 17.806 19.000 0.213 0.000 0.830 498 A HN 0.441 nan 8.150 nan 0.000 0.443 499 S N -0.873 115.029 115.700 0.337 0.000 2.370 499 S HA -0.214 4.256 4.470 -0.001 0.000 0.226 499 S C 1.791 176.711 174.600 0.534 0.000 1.033 499 S CA 1.645 60.128 58.200 0.471 0.000 1.011 499 S CB -0.722 62.758 63.200 0.467 0.000 0.852 499 S HN 0.489 nan 8.310 nan 0.000 0.457 500 F N 1.826 121.934 119.950 0.263 0.000 2.259 500 F HA 0.307 4.834 4.527 -0.001 0.000 0.298 500 F C 1.863 177.735 175.800 0.119 0.000 1.088 500 F CA 0.334 58.465 58.000 0.217 0.000 1.358 500 F CB -0.280 38.825 39.000 0.175 0.000 1.040 500 F HN 0.147 nan 8.300 nan 0.000 0.505 501 L N -1.422 119.823 121.223 0.038 0.000 2.072 501 L HA -0.174 4.166 4.340 -0.001 0.000 0.205 501 L C 2.362 179.219 176.870 -0.022 0.000 1.079 501 L CA 0.999 55.768 54.840 -0.117 0.000 0.752 501 L CB -0.769 41.209 42.059 -0.135 0.000 0.906 501 L HN 0.148 nan 8.230 nan 0.000 0.436 502 F N 0.316 120.239 119.950 -0.045 0.000 2.126 502 F HA -0.317 4.210 4.527 -0.001 0.000 0.299 502 F C 2.292 178.020 175.800 -0.120 0.000 1.096 502 F CA 1.349 59.325 58.000 -0.041 0.000 1.255 502 F CB -0.534 38.493 39.000 0.045 0.000 0.997 502 F HN 0.026 nan 8.300 nan 0.000 0.479 503 F N 0.975 120.690 119.950 -0.390 0.000 2.069 503 F HA -0.232 4.295 4.527 -0.001 0.000 0.298 503 F C 2.193 177.695 175.800 -0.497 0.000 1.113 503 F CA 2.100 59.723 58.000 -0.629 0.000 1.214 503 F CB -0.859 37.770 39.000 -0.619 0.000 0.978 503 F HN 0.001 nan 8.300 nan 0.000 0.474 504 I N 0.458 120.691 120.570 -0.561 0.000 2.145 504 I HA -0.343 3.827 4.170 -0.001 0.000 0.244 504 I C 2.772 178.559 176.117 -0.550 0.000 1.075 504 I CA 1.677 62.581 61.300 -0.661 0.000 1.332 504 I CB -1.557 36.096 38.000 -0.578 0.000 1.033 504 I HN 0.367 nan 8.210 nan 0.000 0.410 505 G N 1.184 109.751 108.800 -0.388 0.000 2.446 505 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.217 505 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.217 505 G C 1.677 176.400 174.900 -0.295 0.000 1.168 505 G CA 0.791 45.745 45.100 -0.244 0.000 0.771 505 G HN 0.350 nan 8.290 nan 0.000 0.551 506 I N 0.273 120.509 120.570 -0.557 0.000 2.163 506 I HA -0.183 3.986 4.170 -0.001 0.000 0.243 506 I C 2.784 178.706 176.117 -0.325 0.000 1.085 506 I CA 0.552 61.537 61.300 -0.524 0.000 1.347 506 I CB -0.528 37.041 38.000 -0.719 0.000 1.044 506 I HN 0.034 nan 8.210 nan 0.000 0.408 507 V N 0.846 120.436 119.914 -0.539 0.000 2.214 507 V HA -0.327 3.793 4.120 -0.001 0.000 0.247 507 V C 2.355 178.361 176.094 -0.146 0.000 1.051 507 V CA 2.092 64.148 62.300 -0.407 0.000 1.003 507 V CB -0.763 30.688 31.823 -0.620 0.000 0.635 507 V HN 0.243 nan 8.190 nan 0.000 0.447 508 F N -0.469 119.248 119.950 -0.389 0.000 2.184 508 F HA -0.226 4.301 4.527 -0.001 0.000 0.301 508 F C 2.320 177.893 175.800 -0.377 0.000 1.076 508 F CA 1.631 59.366 58.000 -0.442 0.000 1.295 508 F CB -1.053 37.726 39.000 -0.369 0.000 1.026 508 F HN 0.360 nan 8.300 nan 0.000 0.494 509 Y N 0.231 120.461 120.300 -0.117 0.000 2.206 509 Y HA -0.155 4.395 4.550 -0.001 0.000 0.292 509 Y C 2.436 178.285 175.900 -0.086 0.000 1.123 509 Y CA 2.052 60.106 58.100 -0.077 0.000 1.142 509 Y CB -0.743 37.673 38.460 -0.073 0.000 1.006 509 Y HN -0.116 nan 8.280 nan 0.000 0.518 510 T N 2.049 116.615 114.554 0.021 0.000 2.803 510 T HA -0.191 4.158 4.350 -0.001 0.000 0.269 510 T C 1.858 176.473 174.700 -0.141 0.000 1.052 510 T CA 1.798 63.871 62.100 -0.045 0.000 1.136 510 T CB -0.424 68.452 68.868 0.014 0.000 0.864 510 T HN 0.316 nan 8.240 nan 0.000 0.467 511 L N -0.690 120.422 121.223 -0.185 0.000 1.988 511 L HA 0.001 4.341 4.340 -0.001 0.000 0.207 511 L C 2.277 179.068 176.870 -0.131 0.000 1.071 511 L CA 1.245 55.969 54.840 -0.193 0.000 0.744 511 L CB -0.565 41.286 42.059 -0.347 0.000 0.893 511 L HN 0.179 nan 8.230 nan 0.000 0.433 512 F N 0.735 120.549 119.950 -0.228 0.000 1.992 512 F HA -0.098 4.429 4.527 -0.001 0.000 0.292 512 F C 2.432 178.053 175.800 -0.299 0.000 1.192 512 F CA 0.783 58.637 58.000 -0.244 0.000 1.157 512 F CB -1.386 37.465 39.000 -0.248 0.000 0.981 512 F HN -0.052 nan 8.300 nan 0.000 0.483 513 A N 0.463 123.118 122.820 -0.275 0.000 2.215 513 A HA 0.274 4.594 4.320 -0.001 0.000 0.208 513 A C 1.359 178.722 177.584 -0.368 0.000 1.296 513 A CA 0.563 52.353 52.037 -0.411 0.000 0.918 513 A CB -1.882 16.704 19.000 -0.689 0.000 0.806 513 A HN 0.337 nan 8.150 nan 0.000 0.490 514 G N 1.147 109.800 108.800 -0.244 0.000 2.299 514 G HA2 0.311 4.271 3.960 -0.001 0.000 0.256 514 G HA3 0.311 4.271 3.960 -0.001 0.000 0.256 514 G C 0.218 175.072 174.900 -0.078 0.000 1.259 514 G CA -0.535 44.481 45.100 -0.139 0.000 0.943 514 G HN 0.703 nan 8.290 nan 0.000 0.479 515 K N 4.152 124.515 120.400 -0.061 0.000 2.363 515 K HA 0.105 4.425 4.320 -0.001 0.000 0.289 515 K C 0.390 176.957 176.600 -0.055 0.000 1.063 515 K CA -0.411 55.850 56.287 -0.043 0.000 0.967 515 K CB 0.805 33.286 32.500 -0.030 0.000 0.987 515 K HN 0.672 nan 8.250 nan 0.000 0.473 516 R N 1.295 121.776 120.500 -0.031 0.000 2.478 516 R HA -0.038 4.302 4.340 -0.001 0.000 0.281 516 R C 0.050 176.338 176.300 -0.020 0.000 0.939 516 R CA -0.127 55.964 56.100 -0.014 0.000 1.120 516 R CB -0.461 29.839 30.300 -0.000 0.000 0.885 516 R HN 0.592 nan 8.270 nan 0.000 0.415 517 V N -0.346 119.571 119.914 0.005 0.000 2.666 517 V HA 0.084 4.204 4.120 -0.001 0.000 0.269 517 V C 0.422 176.591 176.094 0.125 0.000 0.926 517 V CA -1.003 61.325 62.300 0.046 0.000 1.035 517 V CB 0.686 32.500 31.823 -0.015 0.000 1.099 517 V HN 0.874 nan 8.190 nan 0.000 0.519 518 N N 0.633 119.384 118.700 0.085 0.000 2.571 518 N HA -0.019 4.720 4.740 -0.001 0.000 0.189 518 N C 0.310 175.873 175.510 0.090 0.000 1.154 518 N CA 0.378 53.477 53.050 0.081 0.000 0.907 518 N CB 0.322 38.841 38.487 0.052 0.000 0.977 518 N HN 0.572 nan 8.380 nan 0.000 0.449 519 V N 2.385 122.367 119.914 0.113 0.000 2.567 519 V HA 0.160 4.280 4.120 -0.001 0.000 0.289 519 V C -0.975 175.181 176.094 0.103 0.000 1.049 519 V CA -1.480 60.878 62.300 0.096 0.000 0.969 519 V CB 1.685 33.558 31.823 0.083 0.000 0.995 519 V HN 0.007 nan 8.190 nan 0.000 0.471 520 P HA -0.153 nan 4.420 nan 0.000 0.211 520 P C 0.405 177.743 177.300 0.064 0.000 1.179 520 P CA 1.318 64.461 63.100 0.071 0.000 0.910 520 P CB 0.186 31.932 31.700 0.076 0.000 0.785 521 N N -0.456 118.270 118.700 0.044 0.000 2.678 521 N HA 0.056 4.796 4.740 -0.001 0.000 0.231 521 N C 0.567 175.961 175.510 -0.194 0.000 1.038 521 N CA -0.730 52.287 53.050 -0.055 0.000 0.932 521 N CB -0.375 38.119 38.487 0.011 0.000 1.176 521 N HN 0.158 nan 8.380 nan 0.000 0.511 522 Y N -0.002 120.215 120.300 -0.138 0.000 2.490 522 Y HA 0.324 4.874 4.550 -0.001 0.000 0.281 522 Y C 0.746 176.401 175.900 -0.409 0.000 1.174 522 Y CA -0.842 57.095 58.100 -0.271 0.000 1.295 522 Y CB -0.161 38.117 38.460 -0.304 0.000 1.062 522 Y HN 0.350 nan 8.280 nan 0.000 0.522 523 W N 2.217 123.432 121.300 -0.141 0.000 2.857 523 W HA 0.135 4.795 4.660 -0.001 0.000 0.301 523 W C 0.169 176.562 176.519 -0.209 0.000 1.047 523 W CA 0.673 57.885 57.345 -0.223 0.000 1.671 523 W CB -0.039 29.073 29.460 -0.579 0.000 1.225 523 W HN 0.138 nan 8.180 nan 0.000 0.501 524 N N -1.675 117.009 118.700 -0.027 0.000 3.501 524 N HA -0.076 4.663 4.740 -0.001 0.000 0.235 524 N C 0.317 175.782 175.510 -0.075 0.000 1.442 524 N CA -0.057 52.977 53.050 -0.027 0.000 0.872 524 N CB 0.058 38.562 38.487 0.029 0.000 1.414 524 N HN 0.100 nan 8.380 nan 0.000 0.485 525 E N -0.322 119.841 120.200 -0.062 0.000 2.171 525 E HA -0.267 4.083 4.350 -0.001 0.000 0.197 525 E C -0.299 176.191 176.600 -0.184 0.000 0.997 525 E CA 1.674 57.998 56.400 -0.127 0.000 0.810 525 E CB -0.843 28.755 29.700 -0.171 0.000 0.738 525 E HN 0.755 nan 8.360 nan 0.000 0.467 526 H N 0.827 119.869 119.070 -0.047 0.000 2.966 526 H HA 0.430 4.985 4.556 -0.001 0.000 0.217 526 H C -0.392 174.891 175.328 -0.074 0.000 1.906 526 H CA 0.496 56.523 56.048 -0.035 0.000 1.351 526 H CB -0.058 29.686 29.762 -0.030 0.000 1.722 526 H HN 0.298 nan 8.280 nan 0.000 0.562 527 A N 1.096 123.910 122.820 -0.009 0.000 3.127 527 A HA 0.161 4.480 4.320 -0.001 0.000 0.319 527 A C 0.296 177.990 177.584 0.184 0.000 1.104 527 A CA -0.714 51.290 52.037 -0.055 0.000 0.802 527 A CB 0.282 18.907 19.000 -0.625 0.000 1.193 527 A HN 0.344 nan 8.150 nan 0.000 0.479 528 D N 1.016 121.542 120.400 0.209 0.000 2.182 528 D HA -0.080 4.560 4.640 -0.001 0.000 0.201 528 D C 1.340 177.765 176.300 0.208 0.000 0.986 528 D CA 2.085 56.203 54.000 0.197 0.000 0.847 528 D CB -0.250 40.657 40.800 0.178 0.000 0.942 528 D HN 0.657 nan 8.370 nan 0.000 0.467 529 T N -0.376 114.296 114.554 0.198 0.000 2.871 529 T HA 0.030 4.380 4.350 -0.001 0.000 0.296 529 T C 1.782 176.540 174.700 0.098 0.000 0.998 529 T CA -0.297 61.806 62.100 0.005 0.000 1.162 529 T CB 0.668 69.317 68.868 -0.365 0.000 0.947 529 T HN 0.019 nan 8.240 nan 0.000 0.536 530 L N 2.016 123.299 121.223 0.100 0.000 2.211 530 L HA -0.263 4.077 4.340 -0.001 0.000 0.216 530 L C 2.879 179.823 176.870 0.124 0.000 1.092 530 L CA 2.167 57.109 54.840 0.170 0.000 0.767 530 L CB -0.819 41.364 42.059 0.205 0.000 0.894 530 L HN 0.877 nan 8.230 nan 0.000 0.437 531 E N -0.652 119.541 120.200 -0.012 0.000 2.209 531 E HA -0.256 4.094 4.350 -0.001 0.000 0.196 531 E C 1.255 177.720 176.600 -0.224 0.000 0.993 531 E CA 1.416 57.718 56.400 -0.163 0.000 0.819 531 E CB -0.469 29.062 29.700 -0.281 0.000 0.745 531 E HN 0.587 nan 8.360 nan 0.000 0.477 532 W N 1.598 122.931 121.300 0.054 0.000 3.433 532 W HA 0.176 4.835 4.660 -0.001 0.000 0.376 532 W C 0.852 177.375 176.519 0.007 0.000 1.160 532 W CA 0.330 57.678 57.345 0.006 0.000 1.832 532 W CB 0.550 30.016 29.460 0.011 0.000 1.011 532 W HN 0.208 nan 8.180 nan 0.000 0.766 533 T N -3.541 111.134 114.554 0.201 0.000 3.080 533 T HA 0.176 4.525 4.350 -0.001 0.000 0.280 533 T C 0.159 174.921 174.700 0.104 0.000 0.926 533 T CA -0.276 61.913 62.100 0.148 0.000 0.883 533 T CB -0.520 68.435 68.868 0.146 0.000 1.194 533 T HN -0.025 nan 8.240 nan 0.000 0.541 534 L N -1.082 120.185 121.223 0.074 0.000 2.347 534 L HA 0.925 5.265 4.340 -0.001 0.000 0.268 534 L C -3.160 173.712 176.870 0.002 0.000 1.019 534 L CA -2.456 52.398 54.840 0.023 0.000 0.806 534 L CB -0.315 41.725 42.059 -0.031 0.000 1.339 534 L HN -0.348 nan 8.230 nan 0.000 0.463 535 P HA 0.175 nan 4.420 nan 0.000 0.269 535 P C -1.233 176.068 177.300 0.002 0.000 1.209 535 P CA -0.031 63.067 63.100 -0.003 0.000 0.776 535 P CB 0.746 32.436 31.700 -0.017 0.000 0.876 536 S N 2.154 117.884 115.700 0.049 0.000 2.774 536 S HA 0.512 4.981 4.470 -0.001 0.000 0.297 536 S C -2.625 172.051 174.600 0.126 0.000 1.143 536 S CA -1.676 56.583 58.200 0.097 0.000 1.090 536 S CB 0.970 64.257 63.200 0.145 0.000 1.019 536 S HN 0.205 nan 8.310 nan 0.000 0.482 537 P HA 0.387 nan 4.420 nan 0.000 0.272 537 P C -2.925 174.394 177.300 0.032 0.000 1.240 537 P CA -1.365 61.794 63.100 0.100 0.000 0.791 537 P CB -0.652 31.117 31.700 0.114 0.000 0.978 538 P HA 0.366 nan 4.420 nan 0.000 0.282 538 P C -2.361 174.872 177.300 -0.112 0.000 1.249 538 P CA -1.675 61.362 63.100 -0.105 0.000 0.806 538 P CB -0.920 30.655 31.700 -0.207 0.000 0.984 539 P HA 0.013 nan 4.420 nan 0.000 0.266 539 P C 1.033 178.264 177.300 -0.116 0.000 1.195 539 P CA 0.059 63.100 63.100 -0.098 0.000 0.768 539 P CB 0.458 32.103 31.700 -0.091 0.000 0.838 540 E N 2.225 122.372 120.200 -0.088 0.000 2.197 540 E HA -0.273 4.076 4.350 -0.001 0.000 0.205 540 E C -0.121 176.510 176.600 0.052 0.000 1.029 540 E CA 1.288 57.650 56.400 -0.063 0.000 0.828 540 E CB -0.097 29.570 29.700 -0.055 0.000 0.737 540 E HN 0.579 nan 8.360 nan 0.000 0.464 541 H N 0.084 119.049 119.070 -0.173 0.000 2.641 541 H HA 0.103 4.659 4.556 -0.001 0.000 0.295 541 H C 0.709 175.920 175.328 -0.194 0.000 1.070 541 H CA -0.313 55.642 56.048 -0.155 0.000 1.257 541 H CB 1.471 31.172 29.762 -0.101 0.000 1.393 541 H HN 0.106 nan 8.280 nan 0.000 0.464 542 T N 3.143 117.589 114.554 -0.179 0.000 2.544 542 T HA -0.208 4.142 4.350 -0.001 0.000 0.264 542 T C 0.298 174.674 174.700 -0.539 0.000 1.096 542 T CA 1.359 63.240 62.100 -0.365 0.000 1.181 542 T CB -0.028 68.743 68.868 -0.161 0.000 0.864 542 T HN 0.296 nan 8.240 nan 0.000 0.415 543 F N 0.957 120.888 119.950 -0.032 0.000 2.809 543 F HA 0.372 4.899 4.527 -0.001 0.000 0.369 543 F C 0.753 176.541 175.800 -0.020 0.000 1.225 543 F CA -1.007 56.979 58.000 -0.024 0.000 1.201 543 F CB 0.797 39.774 39.000 -0.038 0.000 1.527 543 F HN 0.095 nan 8.300 nan 0.000 0.565 544 E N 0.229 120.515 120.200 0.144 0.000 2.478 544 E HA -0.002 4.347 4.350 -0.001 0.000 0.198 544 E C 0.092 176.750 176.600 0.096 0.000 1.046 544 E CA 0.700 57.161 56.400 0.102 0.000 0.870 544 E CB 0.274 30.029 29.700 0.092 0.000 0.818 544 E HN 0.289 nan 8.360 nan 0.000 0.527 545 T N 0.866 115.502 114.554 0.137 0.000 2.991 545 T HA 0.327 4.677 4.350 -0.001 0.000 0.303 545 T C -0.446 174.318 174.700 0.107 0.000 1.015 545 T CA -0.669 61.492 62.100 0.101 0.000 1.007 545 T CB 1.215 70.136 68.868 0.089 0.000 1.034 545 T HN -0.018 nan 8.240 nan 0.000 0.446 546 L N 4.242 125.471 121.223 0.009 0.000 2.410 546 L HA 0.335 4.675 4.340 -0.001 0.000 0.273 546 L C -1.973 174.850 176.870 -0.078 0.000 1.144 546 L CA -1.806 52.971 54.840 -0.104 0.000 0.863 546 L CB -0.517 41.484 42.059 -0.097 0.000 1.140 546 L HN 0.335 nan 8.230 nan 0.000 0.463 547 P HA 0.035 nan 4.420 nan 0.000 0.266 547 P C -0.366 176.982 177.300 0.080 0.000 1.195 547 P CA -0.159 62.930 63.100 -0.017 0.000 0.768 547 P CB 0.495 32.155 31.700 -0.067 0.000 0.838 548 K N 2.975 123.411 120.400 0.059 0.000 2.202 548 K HA 0.095 4.414 4.320 -0.001 0.000 0.264 548 K C 1.346 177.899 176.600 -0.079 0.000 1.010 548 K CA -0.233 56.062 56.287 0.013 0.000 0.940 548 K CB 0.491 32.976 32.500 -0.025 0.000 0.983 548 K HN 0.322 nan 8.250 nan 0.000 0.475 549 R N 1.714 122.114 120.500 -0.168 0.000 2.170 549 R HA -0.188 4.152 4.340 -0.001 0.000 0.242 549 R C 1.463 177.295 176.300 -0.780 0.000 1.145 549 R CA 2.322 58.081 56.100 -0.568 0.000 0.984 549 R CB 0.037 30.126 30.300 -0.351 0.000 0.869 549 R HN 0.742 nan 8.270 nan 0.000 0.455 550 E N -0.783 119.174 120.200 -0.405 0.000 2.482 550 E HA -0.116 4.233 4.350 -0.001 0.000 0.196 550 E C 0.468 176.914 176.600 -0.258 0.000 1.047 550 E CA 0.829 57.043 56.400 -0.309 0.000 0.869 550 E CB 0.171 29.769 29.700 -0.170 0.000 0.836 550 E HN 0.341 nan 8.360 nan 0.000 0.520 551 D N 0.829 121.077 120.400 -0.254 0.000 2.162 551 D HA -0.100 4.539 4.640 -0.001 0.000 0.203 551 D C 1.548 177.863 176.300 0.025 0.000 0.967 551 D CA 1.215 55.181 54.000 -0.055 0.000 0.840 551 D CB -0.218 40.633 40.800 0.085 0.000 0.972 551 D HN 0.602 nan 8.370 nan 0.000 0.482 552 W N -0.039 121.257 121.300 -0.008 0.000 3.063 552 W HA 0.258 4.917 4.660 -0.001 0.000 0.246 552 W C -0.093 176.425 176.519 -0.002 0.000 1.145 552 W CA -0.462 56.882 57.345 -0.002 0.000 1.510 552 W CB -0.451 28.997 29.460 -0.021 0.000 0.904 552 W HN -0.284 nan 8.180 nan 0.000 0.679 553 D N 3.168 123.217 120.400 -0.584 0.000 2.346 553 D HA 0.102 4.741 4.640 -0.001 0.000 0.267 553 D C 0.020 176.218 176.300 -0.171 0.000 1.320 553 D CA 0.542 54.312 54.000 -0.385 0.000 0.951 553 D CB 0.695 40.996 40.800 -0.832 0.000 1.079 553 D HN -0.188 nan 8.370 nan 0.000 0.509 554 R N 0.000 120.490 120.500 -0.016 0.000 2.786 554 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 554 R CA 0.000 56.093 56.100 -0.011 0.000 0.921 554 R CB 0.000 30.319 30.300 0.032 0.000 0.687 554 R HN 0.000 nan 8.270 nan 0.000 0.535