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 2g5f_1_D DATA FIRST_RESID 15 DATA SEQUENCE SSSIPMPAGV NPADLAAELA AVVTESVDED YLLYECDGQW VLAAGVQAMV DATA SEQUENCE ELDSDELRVI RDGVTRRQQW SGRPGAALGE AVDRLLLETD QAFGWVAFEF DATA SEQUENCE GVHRYGLQQR LAPHTPLARV FSPRTRIMVS EKEIRLFDAG IRHREAIDRL DATA SEQUENCE LATGVREVPQ SRSVDVSDDP SGFRRRVAVA VDEIAAGRYH KVILSRCVEV DATA SEQUENCE PFAIDFPLTY RLGRRHNTPV RSFLLQLGGI RALGYSPELV TAVRADGVVI DATA SEQUENCE TEPLAGTRAL GRGPAIDRLA RDDLESNSKE IVEHAISVRS SLEEITDIAE DATA SEQUENCE PGSAAVIDFM TVRERGSVQH LGSTIRARLD PSSDRMAALE ALFPAVTASG DATA SEQUENCE IPKAAGVEAI FRLDECPRGL YSGAVVMLSA DGGLDAALTL RAAYQVGGRT DATA SEQUENCE WLRAGAGIIE ESEPEREFEE TCEKLSTLTP YLVAR 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 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.517 174.600 -0.139 0.000 1.055 15 S CA 0.000 58.132 58.200 -0.114 0.000 1.107 15 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 16 S N 0.425 115.993 115.700 -0.220 0.000 2.656 16 S HA 0.962 5.432 4.470 -0.000 0.000 0.273 16 S C -0.708 173.776 174.600 -0.193 0.000 1.168 16 S CA -0.125 57.982 58.200 -0.155 0.000 0.817 16 S CB 1.516 64.657 63.200 -0.098 0.000 1.146 16 S HN 1.659 nan 8.310 nan 0.000 0.475 17 S N -0.228 115.400 115.700 -0.121 0.000 2.625 17 S HA 0.823 5.293 4.470 -0.000 0.000 0.271 17 S C -1.559 173.005 174.600 -0.059 0.000 1.161 17 S CA -0.976 57.163 58.200 -0.103 0.000 0.820 17 S CB 0.805 63.950 63.200 -0.092 0.000 1.137 17 S HN 0.975 nan 8.310 nan 0.000 0.470 18 I N 0.722 121.266 120.570 -0.043 0.000 2.610 18 I HA 0.415 4.585 4.170 -0.000 0.000 0.289 18 I C -2.988 173.119 176.117 -0.017 0.000 1.163 18 I CA -2.270 59.014 61.300 -0.027 0.000 1.044 18 I CB 2.687 40.672 38.000 -0.025 0.000 1.251 18 I HN 0.391 nan 8.210 nan 0.000 0.424 19 P HA 0.127 nan 4.420 nan 0.000 0.268 19 P C -0.469 176.827 177.300 -0.006 0.000 1.205 19 P CA -0.360 62.737 63.100 -0.005 0.000 0.771 19 P CB 0.507 32.205 31.700 -0.004 0.000 0.858 20 M N 6.186 125.786 119.600 -0.001 0.000 2.251 20 M HA 0.256 4.736 4.480 -0.000 0.000 0.346 20 M C -2.317 173.977 176.300 -0.010 0.000 1.499 20 M CA -2.096 53.200 55.300 -0.006 0.000 1.128 20 M CB -0.336 32.264 32.600 0.000 0.000 1.809 20 M HN 0.145 nan 8.290 nan 0.000 0.464 21 P HA 0.195 nan 4.420 nan 0.000 0.268 21 P C -1.139 176.151 177.300 -0.017 0.000 1.205 21 P CA -0.156 62.935 63.100 -0.016 0.000 0.771 21 P CB 0.424 32.112 31.700 -0.019 0.000 0.858 22 A N 2.774 125.585 122.820 -0.014 0.000 2.531 22 A HA 0.410 4.730 4.320 -0.000 0.000 0.236 22 A C 1.556 179.128 177.584 -0.020 0.000 1.062 22 A CA 0.727 52.755 52.037 -0.014 0.000 0.760 22 A CB -1.170 17.824 19.000 -0.011 0.000 0.995 22 A HN 0.912 nan 8.150 nan 0.000 0.501 23 G N 0.362 109.148 108.800 -0.024 0.000 2.176 23 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.253 23 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.253 23 G C 0.139 175.014 174.900 -0.042 0.000 0.979 23 G CA 0.171 45.253 45.100 -0.031 0.000 0.641 23 G HN 1.509 nan 8.290 nan 0.000 0.530 24 V N 2.002 121.889 119.914 -0.046 0.000 2.383 24 V HA 0.397 4.517 4.120 -0.000 0.000 0.275 24 V C 0.567 176.609 176.094 -0.086 0.000 1.036 24 V CA -1.053 61.209 62.300 -0.062 0.000 0.889 24 V CB 1.618 33.407 31.823 -0.056 0.000 0.985 24 V HN 0.416 nan 8.190 nan 0.000 0.459 25 N N 7.956 126.588 118.700 -0.113 0.000 2.420 25 N HA 0.142 4.882 4.740 -0.000 0.000 0.262 25 N C -1.297 174.062 175.510 -0.252 0.000 1.144 25 N CA -1.396 51.556 53.050 -0.163 0.000 0.952 25 N CB 2.035 40.425 38.487 -0.162 0.000 1.081 25 N HN 0.334 nan 8.380 nan 0.000 0.480 26 P HA -0.158 nan 4.420 nan 0.000 0.215 26 P C 0.948 177.713 177.300 -0.892 0.000 1.153 26 P CA 1.249 64.050 63.100 -0.498 0.000 0.853 26 P CB 0.166 31.613 31.700 -0.421 0.000 0.788 27 A N 0.469 122.583 122.820 -1.177 0.000 1.902 27 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 27 A C 2.096 179.439 177.584 -0.402 0.000 1.181 27 A CA 2.028 53.436 52.037 -1.049 0.000 0.623 27 A CB -1.267 17.431 19.000 -0.503 0.000 0.818 27 A HN 0.089 nan 8.150 nan 0.000 0.443 28 D N -0.458 119.769 120.400 -0.290 0.000 2.097 28 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 28 D C 1.884 178.100 176.300 -0.140 0.000 0.984 28 D CA 1.298 55.206 54.000 -0.153 0.000 0.826 28 D CB -0.404 40.316 40.800 -0.133 0.000 0.973 28 D HN 0.339 nan 8.370 nan 0.000 0.460 29 L N 1.097 122.211 121.223 -0.182 0.000 2.017 29 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 29 L C 2.180 178.973 176.870 -0.129 0.000 1.073 29 L CA 1.774 56.532 54.840 -0.136 0.000 0.745 29 L CB -0.765 41.216 42.059 -0.131 0.000 0.894 29 L HN -0.042 nan 8.230 nan 0.000 0.432 30 A N -0.530 122.175 122.820 -0.190 0.000 1.877 30 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 30 A C 2.440 179.967 177.584 -0.096 0.000 1.186 30 A CA 1.971 53.933 52.037 -0.125 0.000 0.620 30 A CB -1.232 17.674 19.000 -0.156 0.000 0.822 30 A HN 0.567 nan 8.150 nan 0.000 0.443 31 A N -0.598 122.176 122.820 -0.077 0.000 1.898 31 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 31 A C 1.971 179.522 177.584 -0.055 0.000 1.181 31 A CA 2.053 54.070 52.037 -0.033 0.000 0.620 31 A CB -0.462 18.626 19.000 0.147 0.000 0.819 31 A HN 0.547 nan 8.150 nan 0.000 0.442 32 E N 0.026 120.195 120.200 -0.051 0.000 2.072 32 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 32 E C 1.845 178.398 176.600 -0.078 0.000 0.985 32 E CA 1.028 57.398 56.400 -0.051 0.000 0.801 32 E CB -0.324 29.348 29.700 -0.047 0.000 0.750 32 E HN 0.590 nan 8.360 nan 0.000 0.452 33 L N -0.195 120.976 121.223 -0.087 0.000 2.046 33 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 33 L C 2.483 179.262 176.870 -0.151 0.000 1.077 33 L CA 1.080 55.868 54.840 -0.087 0.000 0.747 33 L CB -0.580 41.444 42.059 -0.058 0.000 0.896 33 L HN 0.237 nan 8.230 nan 0.000 0.432 34 A N 0.059 122.736 122.820 -0.237 0.000 1.903 34 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 34 A C 2.475 179.713 177.584 -0.578 0.000 1.191 34 A CA 2.276 53.998 52.037 -0.525 0.000 0.638 34 A CB -0.852 17.747 19.000 -0.668 0.000 0.823 34 A HN 0.461 nan 8.150 nan 0.000 0.451 35 A N -0.277 122.351 122.820 -0.321 0.000 1.841 35 A HA 0.018 4.338 4.320 -0.000 0.000 0.214 35 A C 2.397 179.923 177.584 -0.098 0.000 1.195 35 A CA 2.552 54.495 52.037 -0.157 0.000 0.611 35 A CB -1.426 17.546 19.000 -0.047 0.000 0.835 35 A HN 1.245 nan 8.150 nan 0.000 0.443 36 V N -0.529 119.336 119.914 -0.082 0.000 2.392 36 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 36 V C 2.209 178.264 176.094 -0.065 0.000 1.059 36 V CA 2.248 64.514 62.300 -0.058 0.000 1.051 36 V CB -1.550 30.243 31.823 -0.049 0.000 0.658 36 V HN 0.764 nan 8.190 nan 0.000 0.455 37 V N -0.159 119.709 119.914 -0.077 0.000 3.573 37 V HA 0.131 4.251 4.120 -0.000 0.000 0.270 37 V C 1.874 177.940 176.094 -0.046 0.000 1.221 37 V CA 1.507 63.765 62.300 -0.071 0.000 1.163 37 V CB -1.129 30.693 31.823 -0.001 0.000 0.847 37 V HN 0.808 nan 8.190 nan 0.000 0.468 38 T N -4.334 110.197 114.554 -0.039 0.000 3.010 38 T HA 0.213 4.562 4.350 -0.000 0.000 0.252 38 T C 1.463 176.188 174.700 0.041 0.000 0.963 38 T CA 0.545 62.661 62.100 0.026 0.000 0.952 38 T CB 0.009 68.933 68.868 0.094 0.000 1.182 38 T HN 0.418 nan 8.240 nan 0.000 0.495 39 E N 2.386 122.601 120.200 0.025 0.000 2.049 39 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 39 E C 2.362 178.974 176.600 0.020 0.000 1.007 39 E CA 1.869 58.291 56.400 0.036 0.000 0.809 39 E CB -0.201 29.515 29.700 0.026 0.000 0.749 39 E HN 0.729 nan 8.360 nan 0.000 0.450 40 S N 0.302 116.003 115.700 0.002 0.000 2.515 40 S HA -0.061 4.408 4.470 -0.000 0.000 0.231 40 S C 1.809 176.406 174.600 -0.004 0.000 0.987 40 S CA 0.910 59.108 58.200 -0.004 0.000 0.936 40 S CB 0.025 63.215 63.200 -0.017 0.000 0.766 40 S HN 0.192 nan 8.310 nan 0.000 0.528 41 V N -2.158 117.755 119.914 -0.001 0.000 3.427 41 V HA 0.322 4.442 4.120 -0.000 0.000 0.305 41 V C -0.310 175.793 176.094 0.015 0.000 1.412 41 V CA -0.145 62.156 62.300 0.002 0.000 1.086 41 V CB -0.925 30.895 31.823 -0.006 0.000 0.964 41 V HN 0.307 nan 8.190 nan 0.000 0.439 42 D N 0.418 120.831 120.400 0.022 0.000 2.772 42 D HA -0.189 4.451 4.640 -0.000 0.000 0.233 42 D C 0.216 176.531 176.300 0.025 0.000 1.143 42 D CA 1.092 55.105 54.000 0.023 0.000 0.700 42 D CB -0.909 39.899 40.800 0.013 0.000 1.076 42 D HN 0.773 nan 8.370 nan 0.000 0.430 43 E N 0.164 120.392 120.200 0.048 0.000 2.242 43 E HA 0.281 4.631 4.350 -0.000 0.000 0.275 43 E C 0.013 176.653 176.600 0.067 0.000 1.002 43 E CA -0.717 55.714 56.400 0.052 0.000 0.841 43 E CB 1.172 30.921 29.700 0.082 0.000 1.109 43 E HN -0.010 nan 8.360 nan 0.000 0.394 44 D N 0.538 120.923 120.400 -0.026 0.000 2.348 44 D HA 0.333 4.973 4.640 -0.000 0.000 0.249 44 D C -0.846 175.430 176.300 -0.041 0.000 1.110 44 D CA 0.157 54.076 54.000 -0.135 0.000 0.967 44 D CB 0.782 41.410 40.800 -0.286 0.000 1.139 44 D HN 0.315 nan 8.370 nan 0.000 0.466 45 Y N -1.529 118.698 120.300 -0.122 0.000 2.713 45 Y HA 0.625 5.175 4.550 -0.000 0.000 0.335 45 Y C -2.136 173.805 175.900 0.068 0.000 1.222 45 Y CA -1.322 56.769 58.100 -0.014 0.000 1.061 45 Y CB 1.113 39.580 38.460 0.011 0.000 1.314 45 Y HN 0.289 nan 8.280 nan 0.000 0.453 46 L N 2.930 124.382 121.223 0.382 0.000 2.516 46 L HA 0.641 4.981 4.340 -0.000 0.000 0.267 46 L C -2.185 174.821 176.870 0.226 0.000 0.957 46 L CA -0.989 54.029 54.840 0.296 0.000 0.860 46 L CB 1.843 44.105 42.059 0.339 0.000 1.265 46 L HN 0.849 nan 8.230 nan 0.000 0.403 47 L N 5.110 126.500 121.223 0.278 0.000 2.296 47 L HA 0.512 4.852 4.340 -0.000 0.000 0.286 47 L C -1.710 175.334 176.870 0.289 0.000 1.023 47 L CA 0.012 54.970 54.840 0.196 0.000 0.812 47 L CB 1.345 43.468 42.059 0.106 0.000 1.223 47 L HN 0.588 nan 8.230 nan 0.000 0.421 48 Y N 3.987 124.356 120.300 0.115 0.000 2.361 48 Y HA 0.407 4.957 4.550 -0.000 0.000 0.337 48 Y C -0.529 175.379 175.900 0.013 0.000 0.965 48 Y CA -0.642 57.538 58.100 0.133 0.000 1.091 48 Y CB 1.435 40.013 38.460 0.196 0.000 1.182 48 Y HN 0.705 nan 8.280 nan 0.000 0.450 49 E N 5.767 125.683 120.200 -0.474 0.000 2.146 49 E HA 0.401 4.750 4.350 -0.000 0.000 0.282 49 E C -1.700 174.474 176.600 -0.710 0.000 0.989 49 E CA -0.417 55.522 56.400 -0.768 0.000 0.799 49 E CB 0.925 30.087 29.700 -0.897 0.000 1.088 49 E HN 0.695 nan 8.360 nan 0.000 0.397 50 C N 5.777 124.789 119.300 -0.480 0.000 2.522 50 C HA 0.212 4.672 4.460 -0.000 0.000 0.344 50 C C -1.052 173.820 174.990 -0.197 0.000 1.104 50 C CA -0.529 58.325 59.018 -0.273 0.000 1.317 50 C CB -0.307 27.416 27.740 -0.029 0.000 1.896 50 C HN 0.928 nan 8.230 nan 0.000 0.443 51 D N 4.385 124.675 120.400 -0.182 0.000 2.735 51 D HA -0.155 4.485 4.640 -0.000 0.000 0.235 51 D C 1.229 177.465 176.300 -0.106 0.000 1.175 51 D CA 2.208 56.139 54.000 -0.115 0.000 0.683 51 D CB -1.112 39.658 40.800 -0.051 0.000 1.008 51 D HN 1.722 nan 8.370 nan 0.000 0.416 52 G N -0.671 108.016 108.800 -0.189 0.000 2.199 52 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.254 52 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.254 52 G C 0.105 175.003 174.900 -0.003 0.000 0.982 52 G CA 0.223 45.280 45.100 -0.073 0.000 0.632 52 G HN 0.423 nan 8.290 nan 0.000 0.529 53 Q N -0.458 119.273 119.800 -0.114 0.000 2.322 53 Q HA 0.399 4.738 4.340 -0.000 0.000 0.265 53 Q C -0.645 175.328 176.000 -0.045 0.000 0.985 53 Q CA -0.485 55.350 55.803 0.054 0.000 0.849 53 Q CB 1.326 30.108 28.738 0.074 0.000 1.274 53 Q HN 0.444 nan 8.270 nan 0.000 0.449 54 W N 3.108 124.458 121.300 0.083 0.000 2.314 54 W HA 0.390 5.050 4.660 -0.000 0.000 0.310 54 W C -0.609 175.968 176.519 0.097 0.000 1.075 54 W CA -0.546 56.850 57.345 0.085 0.000 1.253 54 W CB 1.681 31.184 29.460 0.070 0.000 1.238 54 W HN 0.206 nan 8.180 nan 0.000 0.440 55 V N 6.127 126.198 119.914 0.262 0.000 2.357 55 V HA 0.280 4.400 4.120 -0.000 0.000 0.284 55 V C 0.081 176.219 176.094 0.072 0.000 1.018 55 V CA -0.782 61.636 62.300 0.196 0.000 0.841 55 V CB 1.734 33.713 31.823 0.260 0.000 0.991 55 V HN 0.349 nan 8.190 nan 0.000 0.437 56 L N 5.033 126.279 121.223 0.038 0.000 2.257 56 L HA 0.718 5.058 4.340 -0.000 0.000 0.290 56 L C 0.364 177.158 176.870 -0.127 0.000 1.044 56 L CA -0.374 54.453 54.840 -0.022 0.000 0.810 56 L CB 1.247 43.312 42.059 0.010 0.000 1.193 56 L HN 0.766 nan 8.230 nan 0.000 0.425 57 A N 5.117 127.782 122.820 -0.259 0.000 2.280 57 A HA 0.718 5.038 4.320 -0.000 0.000 0.320 57 A C -0.186 177.473 177.584 0.124 0.000 1.366 57 A CA -0.380 51.489 52.037 -0.279 0.000 0.938 57 A CB 0.684 19.152 19.000 -0.887 0.000 1.157 57 A HN 0.804 nan 8.150 nan 0.000 0.536 58 A N 2.386 125.289 122.820 0.138 0.000 2.303 58 A HA 0.854 5.174 4.320 -0.000 0.000 0.320 58 A C 0.549 178.250 177.584 0.195 0.000 1.192 58 A CA 0.049 52.199 52.037 0.189 0.000 0.821 58 A CB 0.402 19.488 19.000 0.143 0.000 1.188 58 A HN 2.737 nan 8.150 nan 0.000 0.492 59 G N 0.311 109.207 108.800 0.159 0.000 2.999 59 G HA2 0.148 4.108 3.960 -0.000 0.000 0.686 59 G HA3 0.148 4.108 3.960 -0.000 0.000 0.686 59 G C -0.628 174.339 174.900 0.112 0.000 1.057 59 G CA -0.412 44.751 45.100 0.105 0.000 0.784 59 G HN 1.541 nan 8.290 nan 0.000 0.575 60 V N 3.619 123.532 119.914 -0.002 0.000 2.368 60 V HA 0.317 4.437 4.120 -0.000 0.000 0.266 60 V C 1.357 177.513 176.094 0.103 0.000 1.045 60 V CA 0.689 63.005 62.300 0.027 0.000 0.899 60 V CB 1.293 33.027 31.823 -0.148 0.000 1.006 60 V HN 0.941 nan 8.190 nan 0.000 0.470 61 Q N 4.736 124.642 119.800 0.176 0.000 2.089 61 Q HA 0.301 4.641 4.340 -0.000 0.000 0.195 61 Q C 0.619 176.673 176.000 0.090 0.000 0.963 61 Q CA 1.372 57.244 55.803 0.115 0.000 0.834 61 Q CB 0.343 29.148 28.738 0.112 0.000 0.906 61 Q HN 0.894 nan 8.270 nan 0.000 0.452 62 A N -0.143 122.748 122.820 0.118 0.000 2.520 62 A HA 0.686 5.006 4.320 -0.000 0.000 0.298 62 A C -1.520 176.130 177.584 0.109 0.000 1.051 62 A CA -0.674 51.409 52.037 0.077 0.000 0.690 62 A CB 1.341 20.367 19.000 0.044 0.000 1.281 62 A HN 0.241 nan 8.150 nan 0.000 0.402 63 M N 2.337 121.975 119.600 0.064 0.000 2.395 63 M HA 0.683 5.162 4.480 -0.000 0.000 0.307 63 M C -1.905 174.394 176.300 -0.001 0.000 1.091 63 M CA -0.473 54.863 55.300 0.060 0.000 0.919 63 M CB 2.026 34.644 32.600 0.031 0.000 1.662 63 M HN 0.424 nan 8.290 nan 0.000 0.440 64 V N 4.657 124.551 119.914 -0.034 0.000 2.384 64 V HA 0.500 4.620 4.120 -0.000 0.000 0.287 64 V C -0.755 175.262 176.094 -0.129 0.000 1.020 64 V CA -0.550 61.697 62.300 -0.088 0.000 0.850 64 V CB 1.521 33.269 31.823 -0.125 0.000 0.987 64 V HN 0.840 nan 8.190 nan 0.000 0.436 65 E N 4.628 124.759 120.200 -0.115 0.000 2.155 65 E HA 0.473 4.823 4.350 -0.000 0.000 0.264 65 E C -1.254 175.265 176.600 -0.135 0.000 0.886 65 E CA -0.852 55.469 56.400 -0.132 0.000 0.752 65 E CB 2.719 32.380 29.700 -0.065 0.000 1.133 65 E HN 0.418 nan 8.360 nan 0.000 0.414 66 L N 3.405 124.509 121.223 -0.197 0.000 2.298 66 L HA 0.430 4.770 4.340 -0.000 0.000 0.284 66 L C -1.036 175.786 176.870 -0.081 0.000 1.013 66 L CA -0.188 54.524 54.840 -0.213 0.000 0.824 66 L CB 0.891 42.737 42.059 -0.354 0.000 1.221 66 L HN 0.358 nan 8.230 nan 0.000 0.418 67 D N 1.159 121.598 120.400 0.065 0.000 2.392 67 D HA 0.379 5.019 4.640 -0.000 0.000 0.246 67 D C 0.978 177.500 176.300 0.370 0.000 1.013 67 D CA 0.245 54.357 54.000 0.186 0.000 0.993 67 D CB 2.076 42.991 40.800 0.192 0.000 1.219 67 D HN 0.583 nan 8.370 nan 0.000 0.538 68 S N -0.132 115.772 115.700 0.340 0.000 2.400 68 S HA -0.208 4.262 4.470 -0.000 0.000 0.232 68 S C 0.870 175.649 174.600 0.298 0.000 1.025 68 S CA 1.432 59.875 58.200 0.404 0.000 0.993 68 S CB -0.202 63.143 63.200 0.243 0.000 0.808 68 S HN 0.564 nan 8.310 nan 0.000 0.478 69 D N 0.555 121.061 120.400 0.176 0.000 2.433 69 D HA 0.218 4.858 4.640 -0.000 0.000 0.211 69 D C 0.375 176.722 176.300 0.079 0.000 1.114 69 D CA -0.077 53.922 54.000 -0.001 0.000 0.837 69 D CB -0.145 40.579 40.800 -0.127 0.000 0.984 69 D HN 0.816 nan 8.370 nan 0.000 0.505 70 E N -0.683 119.712 120.200 0.326 0.000 2.396 70 E HA 0.413 4.763 4.350 -0.000 0.000 0.280 70 E C -2.016 174.790 176.600 0.344 0.000 1.065 70 E CA -1.166 55.437 56.400 0.338 0.000 0.831 70 E CB 1.296 31.097 29.700 0.168 0.000 1.272 70 E HN -0.008 nan 8.360 nan 0.000 0.443 71 L N 1.753 123.127 121.223 0.252 0.000 2.356 71 L HA 0.623 4.963 4.340 -0.000 0.000 0.277 71 L C -1.265 175.630 176.870 0.040 0.000 0.996 71 L CA -0.235 54.639 54.840 0.055 0.000 0.822 71 L CB 1.487 43.539 42.059 -0.013 0.000 1.256 71 L HN 0.642 nan 8.230 nan 0.000 0.413 72 R N 3.875 124.376 120.500 0.002 0.000 2.670 72 R HA 0.800 5.140 4.340 -0.000 0.000 0.289 72 R C -1.541 174.747 176.300 -0.019 0.000 0.965 72 R CA -0.980 55.123 56.100 0.006 0.000 0.899 72 R CB 2.451 32.761 30.300 0.018 0.000 1.173 72 R HN 0.457 nan 8.270 nan 0.000 0.456 73 V N 4.748 124.656 119.914 -0.010 0.000 2.407 73 V HA 0.388 4.508 4.120 -0.000 0.000 0.291 73 V C -0.699 175.393 176.094 -0.003 0.000 1.018 73 V CA -0.764 61.526 62.300 -0.016 0.000 0.842 73 V CB 1.505 33.317 31.823 -0.019 0.000 0.996 73 V HN 0.541 nan 8.190 nan 0.000 0.426 74 I N 5.293 125.863 120.570 -0.000 0.000 2.339 74 I HA 0.602 4.772 4.170 -0.000 0.000 0.290 74 I C 0.192 176.316 176.117 0.011 0.000 0.994 74 I CA -0.148 61.156 61.300 0.006 0.000 1.191 74 I CB 1.281 39.284 38.000 0.005 0.000 1.343 74 I HN 0.442 nan 8.210 nan 0.000 0.458 75 R N 4.286 124.793 120.500 0.012 0.000 2.574 75 R HA 0.288 4.628 4.340 -0.000 0.000 0.288 75 R C -1.168 175.141 176.300 0.015 0.000 1.004 75 R CA -0.719 55.391 56.100 0.016 0.000 0.895 75 R CB 1.521 31.829 30.300 0.012 0.000 1.191 75 R HN 0.650 nan 8.270 nan 0.000 0.444 76 D N 2.704 123.115 120.400 0.019 0.000 2.755 76 D HA -0.207 4.433 4.640 -0.000 0.000 0.227 76 D C 0.802 177.110 176.300 0.014 0.000 1.211 76 D CA 1.842 55.852 54.000 0.017 0.000 0.663 76 D CB -0.848 39.962 40.800 0.017 0.000 0.983 76 D HN 1.074 nan 8.370 nan 0.000 0.407 77 G N -2.193 106.614 108.800 0.012 0.000 2.168 77 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.263 77 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.263 77 G C 0.472 175.378 174.900 0.010 0.000 0.977 77 G CA 0.715 45.821 45.100 0.010 0.000 0.659 77 G HN 1.313 nan 8.290 nan 0.000 0.533 78 V N 0.027 119.947 119.914 0.010 0.000 2.448 78 V HA 0.839 4.959 4.120 -0.000 0.000 0.295 78 V C 0.329 176.429 176.094 0.010 0.000 1.025 78 V CA 0.014 62.319 62.300 0.010 0.000 0.859 78 V CB 1.869 33.697 31.823 0.009 0.000 0.988 78 V HN 0.260 nan 8.190 nan 0.000 0.431 79 T N 5.642 120.203 114.554 0.011 0.000 2.749 79 T HA 0.524 4.874 4.350 -0.000 0.000 0.287 79 T C -0.030 174.678 174.700 0.014 0.000 0.970 79 T CA -0.172 61.935 62.100 0.012 0.000 0.980 79 T CB 0.564 69.441 68.868 0.015 0.000 0.924 79 T HN 0.799 nan 8.240 nan 0.000 0.456 80 R N 3.493 124.000 120.500 0.012 0.000 2.265 80 R HA 0.424 4.764 4.340 -0.000 0.000 0.328 80 R C -0.391 175.921 176.300 0.020 0.000 0.969 80 R CA -0.665 55.443 56.100 0.014 0.000 0.832 80 R CB 0.608 30.913 30.300 0.009 0.000 1.139 80 R HN 0.574 nan 8.270 nan 0.000 0.457 81 R N 2.722 123.239 120.500 0.028 0.000 2.668 81 R HA 0.298 4.638 4.340 -0.000 0.000 0.279 81 R C -0.806 175.521 176.300 0.046 0.000 0.976 81 R CA -0.714 55.411 56.100 0.041 0.000 0.978 81 R CB 2.019 32.347 30.300 0.046 0.000 1.133 81 R HN 0.715 nan 8.270 nan 0.000 0.484 82 Q N 0.607 120.446 119.800 0.066 0.000 2.527 82 Q HA 0.233 4.573 4.340 -0.000 0.000 0.280 82 Q C -1.479 174.589 176.000 0.113 0.000 0.977 82 Q CA -1.155 54.691 55.803 0.072 0.000 0.837 82 Q CB 1.491 30.268 28.738 0.066 0.000 1.454 82 Q HN 0.252 nan 8.270 nan 0.000 0.387 83 Q N 1.760 121.608 119.800 0.080 0.000 2.259 83 Q HA 0.369 4.709 4.340 -0.000 0.000 0.246 83 Q C -0.762 175.310 176.000 0.120 0.000 0.920 83 Q CA -0.105 55.731 55.803 0.055 0.000 0.895 83 Q CB 1.331 30.052 28.738 -0.028 0.000 1.220 83 Q HN 0.745 nan 8.270 nan 0.000 0.439 84 W N 0.362 121.650 121.300 -0.020 0.000 2.781 84 W HA 0.696 5.356 4.660 -0.000 0.000 0.345 84 W C -0.857 175.647 176.519 -0.025 0.000 1.085 84 W CA -1.094 56.236 57.345 -0.026 0.000 1.198 84 W CB 0.726 30.165 29.460 -0.034 0.000 1.423 84 W HN 0.604 nan 8.180 nan 0.000 0.532 85 S N 0.829 116.599 115.700 0.117 0.000 2.697 85 S HA 0.897 5.367 4.470 -0.000 0.000 0.289 85 S C 0.056 174.754 174.600 0.162 0.000 1.149 85 S CA -0.068 58.099 58.200 -0.056 0.000 0.850 85 S CB 1.603 64.764 63.200 -0.065 0.000 1.151 85 S HN 2.042 nan 8.310 nan 0.000 0.491 86 G N 1.034 109.880 108.800 0.076 0.000 2.615 86 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.218 86 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.218 86 G C -0.918 174.111 174.900 0.215 0.000 1.339 86 G CA -0.681 44.489 45.100 0.116 0.000 0.884 86 G HN 0.929 nan 8.290 nan 0.000 0.559 87 R N 1.475 122.047 120.500 0.121 0.000 2.490 87 R HA 0.296 4.636 4.340 -0.000 0.000 0.280 87 R C -1.041 175.242 176.300 -0.029 0.000 1.077 87 R CA -0.922 55.206 56.100 0.046 0.000 1.065 87 R CB 1.079 31.352 30.300 -0.044 0.000 1.003 87 R HN 0.433 nan 8.270 nan 0.000 0.470 88 P HA -0.178 nan 4.420 nan 0.000 0.218 88 P C 1.170 178.237 177.300 -0.388 0.000 1.148 88 P CA 1.508 64.179 63.100 -0.715 0.000 0.822 88 P CB 0.111 31.129 31.700 -1.136 0.000 0.784 89 G N 0.534 109.189 108.800 -0.241 0.000 2.422 89 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 89 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 89 G C 1.830 176.688 174.900 -0.070 0.000 1.146 89 G CA 1.010 46.128 45.100 0.030 0.000 0.769 89 G HN 0.380 nan 8.290 nan 0.000 0.547 90 A N 1.007 123.773 122.820 -0.091 0.000 1.929 90 A HA 0.379 4.699 4.320 -0.000 0.000 0.216 90 A C 2.785 180.312 177.584 -0.095 0.000 1.176 90 A CA 2.011 54.006 52.037 -0.071 0.000 0.628 90 A CB -0.659 18.321 19.000 -0.033 0.000 0.816 90 A HN 0.685 nan 8.150 nan 0.000 0.444 91 A N -0.428 122.303 122.820 -0.148 0.000 1.873 91 A HA -0.004 4.316 4.320 -0.000 0.000 0.215 91 A C 2.130 179.568 177.584 -0.242 0.000 1.186 91 A CA 1.676 53.593 52.037 -0.200 0.000 0.616 91 A CB -0.639 18.118 19.000 -0.405 0.000 0.823 91 A HN 0.647 nan 8.150 nan 0.000 0.442 92 L N 0.107 121.162 121.223 -0.280 0.000 2.093 92 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 92 L C 2.382 179.135 176.870 -0.194 0.000 1.085 92 L CA 2.195 56.885 54.840 -0.250 0.000 0.755 92 L CB -0.952 40.961 42.059 -0.243 0.000 0.904 92 L HN 0.305 nan 8.230 nan 0.000 0.435 93 G N -1.165 107.541 108.800 -0.158 0.000 2.418 93 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 93 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 93 G C 1.432 176.261 174.900 -0.118 0.000 1.158 93 G CA 0.805 45.824 45.100 -0.136 0.000 0.771 93 G HN 0.527 nan 8.290 nan 0.000 0.545 94 E N 0.508 120.646 120.200 -0.103 0.000 2.077 94 E HA -0.041 4.309 4.350 -0.000 0.000 0.193 94 E C 2.941 179.488 176.600 -0.088 0.000 0.989 94 E CA 0.785 57.136 56.400 -0.082 0.000 0.800 94 E CB -0.172 29.491 29.700 -0.062 0.000 0.746 94 E HN 0.417 nan 8.360 nan 0.000 0.452 95 A N 0.951 123.707 122.820 -0.107 0.000 1.873 95 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 95 A C 2.498 180.014 177.584 -0.113 0.000 1.186 95 A CA 1.095 53.069 52.037 -0.104 0.000 0.616 95 A CB -0.605 18.321 19.000 -0.123 0.000 0.823 95 A HN 0.112 nan 8.150 nan 0.000 0.442 96 V N 0.677 120.505 119.914 -0.142 0.000 2.515 96 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 96 V C 2.034 178.045 176.094 -0.139 0.000 1.058 96 V CA 2.184 64.390 62.300 -0.157 0.000 1.064 96 V CB -0.845 30.858 31.823 -0.200 0.000 0.675 96 V HN 0.468 nan 8.190 nan 0.000 0.461 97 D N 0.560 120.886 120.400 -0.122 0.000 2.144 97 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 97 D C 2.454 178.702 176.300 -0.088 0.000 0.984 97 D CA 1.782 55.719 54.000 -0.105 0.000 0.834 97 D CB -0.199 40.547 40.800 -0.090 0.000 0.955 97 D HN 0.477 nan 8.370 nan 0.000 0.465 98 R N 0.824 121.277 120.500 -0.079 0.000 2.092 98 R HA -0.010 4.330 4.340 -0.000 0.000 0.231 98 R C 2.477 178.739 176.300 -0.062 0.000 1.119 98 R CA 1.070 57.133 56.100 -0.062 0.000 0.970 98 R CB -1.565 28.703 30.300 -0.053 0.000 0.864 98 R HN 0.279 nan 8.270 nan 0.000 0.440 99 L N 0.206 121.384 121.223 -0.076 0.000 2.046 99 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 99 L C 2.488 179.309 176.870 -0.082 0.000 1.077 99 L CA 1.129 55.925 54.840 -0.073 0.000 0.747 99 L CB -0.406 41.599 42.059 -0.091 0.000 0.896 99 L HN 0.262 nan 8.230 nan 0.000 0.432 100 L N -0.277 120.883 121.223 -0.104 0.000 2.622 100 L HA -0.129 4.211 4.340 -0.000 0.000 0.233 100 L C 2.136 178.955 176.870 -0.084 0.000 1.156 100 L CA 0.272 55.045 54.840 -0.111 0.000 0.866 100 L CB -0.254 41.723 42.059 -0.137 0.000 0.980 100 L HN 0.322 nan 8.230 nan 0.000 0.448 101 L N -0.073 121.110 121.223 -0.067 0.000 2.240 101 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 101 L C 2.819 179.664 176.870 -0.042 0.000 1.106 101 L CA 1.208 56.017 54.840 -0.051 0.000 0.793 101 L CB -0.483 41.550 42.059 -0.043 0.000 0.927 101 L HN 0.372 nan 8.230 nan 0.000 0.446 102 E N -0.535 119.641 120.200 -0.040 0.000 2.431 102 E HA 0.138 4.488 4.350 -0.000 0.000 0.200 102 E C 0.816 177.398 176.600 -0.030 0.000 0.995 102 E CA 0.544 56.927 56.400 -0.027 0.000 0.915 102 E CB 0.354 30.044 29.700 -0.017 0.000 0.930 102 E HN 0.317 nan 8.360 nan 0.000 0.496 103 T N -0.020 114.504 114.554 -0.049 0.000 2.906 103 T HA 0.337 4.687 4.350 -0.000 0.000 0.295 103 T C -0.260 174.381 174.700 -0.097 0.000 1.075 103 T CA -0.388 61.677 62.100 -0.058 0.000 1.005 103 T CB 1.761 70.600 68.868 -0.049 0.000 1.136 103 T HN 0.102 nan 8.240 nan 0.000 0.498 104 D N 0.729 121.059 120.400 -0.118 0.000 2.234 104 D HA 0.033 4.673 4.640 -0.000 0.000 0.205 104 D C 0.480 176.657 176.300 -0.205 0.000 0.962 104 D CA 1.173 55.075 54.000 -0.162 0.000 0.855 104 D CB 0.609 41.280 40.800 -0.215 0.000 0.951 104 D HN 0.473 nan 8.370 nan 0.000 0.500 105 Q N -0.819 118.852 119.800 -0.214 0.000 2.462 105 Q HA 0.676 5.016 4.340 -0.000 0.000 0.285 105 Q C -1.449 174.290 176.000 -0.434 0.000 1.035 105 Q CA -0.771 54.807 55.803 -0.374 0.000 0.799 105 Q CB 3.117 31.599 28.738 -0.427 0.000 1.452 105 Q HN -0.015 nan 8.270 nan 0.000 0.404 106 A N 1.260 123.642 122.820 -0.731 0.000 2.435 106 A HA 0.929 5.249 4.320 -0.000 0.000 0.304 106 A C -1.641 175.324 177.584 -1.030 0.000 1.064 106 A CA -0.406 51.249 52.037 -0.637 0.000 0.727 106 A CB 1.007 19.756 19.000 -0.418 0.000 1.284 106 A HN 0.549 nan 8.150 nan 0.000 0.415 107 F N 0.027 119.599 119.950 -0.631 0.000 2.613 107 F HA 0.837 5.363 4.527 -0.000 0.000 0.314 107 F C 0.784 176.354 175.800 -0.383 0.000 1.075 107 F CA 0.338 58.019 58.000 -0.532 0.000 0.945 107 F CB 2.697 41.379 39.000 -0.529 0.000 1.310 107 F HN 1.150 nan 8.300 nan 0.000 0.467 108 G N -0.084 108.711 108.800 -0.009 0.000 2.404 108 G HA2 0.317 4.277 3.960 -0.000 0.000 0.253 108 G HA3 0.317 4.277 3.960 -0.000 0.000 0.253 108 G C -2.464 172.470 174.900 0.057 0.000 1.253 108 G CA -0.708 44.429 45.100 0.061 0.000 0.917 108 G HN 0.926 nan 8.290 nan 0.000 0.480 109 W N -0.741 120.485 121.300 -0.124 0.000 3.083 109 W HA 0.771 5.431 4.660 -0.000 0.000 0.333 109 W C -1.698 174.699 176.519 -0.203 0.000 1.217 109 W CA -1.308 55.937 57.345 -0.167 0.000 1.170 109 W CB 1.253 30.641 29.460 -0.119 0.000 1.437 109 W HN 0.610 nan 8.180 nan 0.000 0.557 110 V N 2.110 122.083 119.914 0.097 0.000 2.531 110 V HA 0.591 4.711 4.120 -0.000 0.000 0.301 110 V C 0.469 176.745 176.094 0.303 0.000 1.034 110 V CA -0.747 61.457 62.300 -0.160 0.000 0.865 110 V CB 0.885 32.285 31.823 -0.706 0.000 0.995 110 V HN 0.774 nan 8.190 nan 0.000 0.424 111 A N 3.347 126.427 122.820 0.433 0.000 2.332 111 A HA 0.477 4.797 4.320 -0.000 0.000 0.258 111 A C 0.753 178.719 177.584 0.638 0.000 1.087 111 A CA -0.107 52.295 52.037 0.608 0.000 0.802 111 A CB 0.045 19.425 19.000 0.633 0.000 1.042 111 A HN 0.925 nan 8.150 nan 0.000 0.489 112 F N 0.677 120.889 119.950 0.438 0.000 2.154 112 F HA -0.186 4.341 4.527 -0.000 0.000 0.301 112 F C 1.767 177.826 175.800 0.432 0.000 1.087 112 F CA 2.557 60.773 58.000 0.361 0.000 1.274 112 F CB -0.127 38.954 39.000 0.135 0.000 1.009 112 F HN 0.721 nan 8.300 nan 0.000 0.485 113 E N -0.184 120.271 120.200 0.426 0.000 2.267 113 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 113 E C 1.840 178.653 176.600 0.355 0.000 0.998 113 E CA 1.108 57.709 56.400 0.335 0.000 0.830 113 E CB -0.832 29.119 29.700 0.418 0.000 0.751 113 E HN 0.594 nan 8.360 nan 0.000 0.491 114 F N 0.091 120.172 119.950 0.218 0.000 2.269 114 F HA -0.058 4.469 4.527 -0.000 0.000 0.301 114 F C 1.950 177.836 175.800 0.144 0.000 1.082 114 F CA 1.524 59.566 58.000 0.070 0.000 1.360 114 F CB -0.096 38.795 39.000 -0.183 0.000 1.041 114 F HN 0.055 nan 8.300 nan 0.000 0.512 115 G N -0.486 108.542 108.800 0.380 0.000 2.920 115 G HA2 0.021 3.981 3.960 -0.000 0.000 0.208 115 G HA3 0.021 3.981 3.960 -0.000 0.000 0.208 115 G C 1.427 176.345 174.900 0.030 0.000 1.159 115 G CA 0.688 45.922 45.100 0.224 0.000 0.784 115 G HN 0.445 nan 8.290 nan 0.000 0.535 116 V N -2.525 117.452 119.914 0.104 0.000 2.951 116 V HA 0.050 4.170 4.120 -0.000 0.000 0.255 116 V C 2.149 178.287 176.094 0.073 0.000 1.088 116 V CA 1.221 63.607 62.300 0.142 0.000 1.109 116 V CB -0.803 31.162 31.823 0.236 0.000 0.724 116 V HN 0.280 nan 8.190 nan 0.000 0.471 117 H N 2.535 121.570 119.070 -0.058 0.000 2.387 117 H HA -0.059 4.496 4.556 -0.000 0.000 0.299 117 H C 2.388 177.630 175.328 -0.144 0.000 1.090 117 H CA 2.181 58.183 56.048 -0.077 0.000 1.332 117 H CB -0.401 29.296 29.762 -0.108 0.000 1.386 117 H HN 0.607 nan 8.280 nan 0.000 0.516 118 R N -0.010 120.385 120.500 -0.176 0.000 2.293 118 R HA -0.119 4.221 4.340 -0.000 0.000 0.219 118 R C 0.327 176.379 176.300 -0.413 0.000 1.091 118 R CA 1.320 57.203 56.100 -0.362 0.000 1.004 118 R CB -0.240 29.721 30.300 -0.565 0.000 0.865 118 R HN 0.336 nan 8.270 nan 0.000 0.469 119 Y N 0.106 120.423 120.300 0.027 0.000 2.584 119 Y HA 0.392 4.942 4.550 -0.000 0.000 0.254 119 Y C 1.262 177.173 175.900 0.018 0.000 1.177 119 Y CA -0.716 57.398 58.100 0.024 0.000 1.216 119 Y CB 0.774 39.251 38.460 0.029 0.000 1.172 119 Y HN 0.283 nan 8.280 nan 0.000 0.529 120 G N 1.104 109.958 108.800 0.090 0.000 2.225 120 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.267 120 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.267 120 G C 0.530 175.446 174.900 0.027 0.000 1.024 120 G CA 0.752 45.874 45.100 0.037 0.000 0.784 120 G HN 0.490 nan 8.290 nan 0.000 0.507 121 L N 0.351 121.607 121.223 0.056 0.000 2.667 121 L HA 0.120 4.460 4.340 -0.000 0.000 0.232 121 L C 2.684 179.524 176.870 -0.051 0.000 1.138 121 L CA 0.509 55.389 54.840 0.067 0.000 0.921 121 L CB 0.063 42.297 42.059 0.292 0.000 1.180 121 L HN 0.503 nan 8.230 nan 0.000 0.487 122 Q N 0.835 120.515 119.800 -0.200 0.000 2.234 122 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 122 Q C 1.564 177.440 176.000 -0.207 0.000 0.980 122 Q CA 1.298 56.894 55.803 -0.345 0.000 0.869 122 Q CB -0.388 27.957 28.738 -0.655 0.000 0.912 122 Q HN 0.619 nan 8.270 nan 0.000 0.436 123 Q N 0.613 120.308 119.800 -0.174 0.000 2.364 123 Q HA -0.050 4.289 4.340 -0.000 0.000 0.207 123 Q C 1.358 177.240 176.000 -0.197 0.000 0.970 123 Q CA 0.709 56.420 55.803 -0.154 0.000 0.888 123 Q CB -0.260 28.405 28.738 -0.122 0.000 0.951 123 Q HN 0.310 nan 8.270 nan 0.000 0.469 124 R N 0.546 120.860 120.500 -0.310 0.000 2.307 124 R HA 0.258 4.598 4.340 -0.000 0.000 0.199 124 R C 0.595 176.619 176.300 -0.460 0.000 1.000 124 R CA 0.063 55.840 56.100 -0.538 0.000 1.023 124 R CB -0.204 29.414 30.300 -1.137 0.000 0.908 124 R HN 0.311 nan 8.270 nan 0.000 0.473 125 L N 1.008 122.101 121.223 -0.216 0.000 2.371 125 L HA 0.272 4.612 4.340 -0.000 0.000 0.272 125 L C 0.685 177.552 176.870 -0.005 0.000 1.124 125 L CA -0.612 54.217 54.840 -0.018 0.000 0.816 125 L CB 0.932 43.044 42.059 0.087 0.000 1.129 125 L HN -0.024 nan 8.230 nan 0.000 0.448 126 A N 5.224 128.077 122.820 0.055 0.000 2.366 126 A HA 0.474 4.794 4.320 -0.000 0.000 0.249 126 A C -2.170 175.451 177.584 0.061 0.000 1.084 126 A CA -1.135 50.935 52.037 0.055 0.000 0.794 126 A CB -0.388 18.666 19.000 0.090 0.000 1.034 126 A HN 0.507 nan 8.150 nan 0.000 0.491 127 P HA 0.142 nan 4.420 nan 0.000 0.269 127 P C -0.623 176.709 177.300 0.052 0.000 1.215 127 P CA 0.534 63.602 63.100 -0.054 0.000 0.780 127 P CB 0.014 31.660 31.700 -0.090 0.000 0.898 128 H N -2.666 116.457 119.070 0.090 0.000 2.936 128 H HA -0.113 4.443 4.556 -0.000 0.000 0.276 128 H C -0.297 175.110 175.328 0.132 0.000 1.216 128 H CA 0.875 56.986 56.048 0.105 0.000 1.132 128 H CB -2.815 26.997 29.762 0.083 0.000 1.303 128 H HN 0.351 nan 8.280 nan 0.000 0.370 129 T N 2.269 116.951 114.554 0.214 0.000 2.779 129 T HA 0.239 4.589 4.350 -0.000 0.000 0.296 129 T C -2.138 172.710 174.700 0.248 0.000 0.938 129 T CA -1.083 61.158 62.100 0.236 0.000 1.119 129 T CB 1.029 70.041 68.868 0.239 0.000 0.891 129 T HN 0.046 nan 8.240 nan 0.000 0.526 130 P HA 0.207 nan 4.420 nan 0.000 0.271 130 P C 0.232 177.675 177.300 0.238 0.000 1.220 130 P CA -0.054 63.185 63.100 0.232 0.000 0.768 130 P CB 0.627 32.533 31.700 0.345 0.000 0.848 131 L N 1.721 123.011 121.223 0.111 0.000 2.547 131 L HA 0.500 4.840 4.340 -0.000 0.000 0.218 131 L C 0.842 177.666 176.870 -0.077 0.000 1.048 131 L CA 0.312 55.236 54.840 0.140 0.000 0.859 131 L CB 0.120 42.268 42.059 0.148 0.000 1.128 131 L HN 0.375 nan 8.230 nan 0.000 0.483 132 A N -0.021 122.592 122.820 -0.346 0.000 2.605 132 A HA 0.768 5.088 4.320 -0.000 0.000 0.294 132 A C -1.412 175.709 177.584 -0.772 0.000 1.062 132 A CA -0.600 51.040 52.037 -0.661 0.000 0.682 132 A CB 1.615 20.289 19.000 -0.544 0.000 1.278 132 A HN -0.018 nan 8.150 nan 0.000 0.410 133 R N 0.665 120.560 120.500 -1.008 0.000 2.518 133 R HA 0.585 4.925 4.340 -0.000 0.000 0.296 133 R C -1.786 174.249 176.300 -0.442 0.000 1.080 133 R CA -0.411 55.269 56.100 -0.701 0.000 0.922 133 R CB 1.466 31.262 30.300 -0.840 0.000 1.184 133 R HN 0.563 nan 8.270 nan 0.000 0.445 134 V N 4.882 124.657 119.914 -0.231 0.000 2.577 134 V HA 0.608 4.728 4.120 -0.000 0.000 0.303 134 V C -0.665 175.439 176.094 0.016 0.000 1.042 134 V CA -0.953 61.264 62.300 -0.140 0.000 0.872 134 V CB 1.901 33.575 31.823 -0.247 0.000 0.998 134 V HN 0.645 nan 8.190 nan 0.000 0.423 135 F N 2.019 121.927 119.950 -0.071 0.000 2.603 135 F HA 0.904 5.431 4.527 -0.000 0.000 0.317 135 F C -0.001 175.820 175.800 0.036 0.000 1.066 135 F CA -0.894 57.092 58.000 -0.023 0.000 0.941 135 F CB 1.953 40.953 39.000 -0.000 0.000 1.291 135 F HN 0.413 nan 8.300 nan 0.000 0.472 136 S N 2.226 117.950 115.700 0.041 0.000 2.462 136 S HA 0.655 5.125 4.470 -0.000 0.000 0.294 136 S C -2.880 171.834 174.600 0.189 0.000 1.144 136 S CA -1.499 56.688 58.200 -0.021 0.000 1.088 136 S CB 1.279 64.477 63.200 -0.003 0.000 1.009 136 S HN 0.655 nan 8.310 nan 0.000 0.484 137 P HA 0.309 nan 4.420 nan 0.000 0.277 137 P C 0.090 177.496 177.300 0.177 0.000 1.240 137 P CA -0.689 62.581 63.100 0.284 0.000 0.798 137 P CB 1.071 32.877 31.700 0.177 0.000 0.979 138 R N 0.204 120.806 120.500 0.170 0.000 2.093 138 R HA 0.095 4.435 4.340 -0.000 0.000 0.224 138 R C 0.376 176.721 176.300 0.074 0.000 1.101 138 R CA 1.168 57.336 56.100 0.112 0.000 0.979 138 R CB -0.115 30.253 30.300 0.114 0.000 0.877 138 R HN 0.543 nan 8.270 nan 0.000 0.441 139 T N 0.331 114.921 114.554 0.060 0.000 2.916 139 T HA 0.448 4.798 4.350 -0.000 0.000 0.305 139 T C -0.872 173.836 174.700 0.013 0.000 1.119 139 T CA -0.705 61.377 62.100 -0.030 0.000 1.008 139 T CB 2.747 71.450 68.868 -0.274 0.000 1.129 139 T HN 0.006 nan 8.240 nan 0.000 0.480 140 R N 1.583 122.121 120.500 0.064 0.000 2.561 140 R HA 0.689 5.028 4.340 -0.000 0.000 0.297 140 R C -1.096 175.316 176.300 0.185 0.000 0.969 140 R CA -0.706 55.466 56.100 0.120 0.000 0.879 140 R CB 1.872 32.273 30.300 0.169 0.000 1.178 140 R HN 0.519 nan 8.270 nan 0.000 0.445 141 I N 3.965 124.610 120.570 0.125 0.000 2.447 141 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 141 I C -0.379 175.835 176.117 0.161 0.000 1.023 141 I CA -0.574 60.794 61.300 0.114 0.000 1.083 141 I CB 1.968 39.996 38.000 0.046 0.000 1.245 141 I HN 0.420 nan 8.210 nan 0.000 0.434 142 M N 6.372 126.095 119.600 0.205 0.000 2.180 142 M HA 0.541 5.020 4.480 -0.000 0.000 0.350 142 M C -0.932 175.474 176.300 0.177 0.000 1.125 142 M CA -0.768 54.668 55.300 0.227 0.000 1.031 142 M CB 2.103 34.879 32.600 0.294 0.000 1.623 142 M HN 0.218 nan 8.290 nan 0.000 0.451 143 V N 2.307 122.353 119.914 0.220 0.000 2.540 143 V HA 0.737 4.857 4.120 -0.000 0.000 0.302 143 V C -0.254 176.011 176.094 0.285 0.000 1.035 143 V CA -0.459 61.948 62.300 0.179 0.000 0.873 143 V CB 1.855 33.734 31.823 0.094 0.000 0.992 143 V HN 1.040 nan 8.190 nan 0.000 0.428 144 S N 2.019 117.838 115.700 0.200 0.000 2.720 144 S HA 0.436 4.906 4.470 -0.000 0.000 0.287 144 S C 0.570 175.250 174.600 0.132 0.000 1.168 144 S CA -0.180 58.169 58.200 0.248 0.000 0.832 144 S CB 1.759 65.080 63.200 0.201 0.000 1.166 144 S HN 0.834 nan 8.310 nan 0.000 0.493 145 E N 0.331 120.611 120.200 0.133 0.000 2.418 145 E HA 0.001 4.351 4.350 -0.000 0.000 0.197 145 E C 1.182 177.811 176.600 0.048 0.000 1.026 145 E CA 0.591 57.031 56.400 0.067 0.000 0.862 145 E CB -0.289 29.454 29.700 0.072 0.000 0.799 145 E HN 0.590 nan 8.360 nan 0.000 0.518 146 K N 0.412 120.848 120.400 0.061 0.000 2.214 146 K HA 0.063 4.383 4.320 -0.000 0.000 0.201 146 K C 0.673 177.294 176.600 0.035 0.000 1.049 146 K CA 1.007 57.320 56.287 0.044 0.000 0.978 146 K CB 0.384 32.913 32.500 0.049 0.000 0.842 146 K HN 0.283 nan 8.250 nan 0.000 0.474 147 E N -0.193 120.034 120.200 0.045 0.000 2.442 147 E HA 0.396 4.746 4.350 -0.000 0.000 0.278 147 E C -1.258 175.364 176.600 0.036 0.000 1.082 147 E CA -0.829 55.589 56.400 0.030 0.000 0.861 147 E CB 1.261 30.975 29.700 0.024 0.000 1.462 147 E HN -0.114 nan 8.360 nan 0.000 0.458 148 I N 0.753 121.331 120.570 0.013 0.000 2.447 148 I HA 0.456 4.626 4.170 -0.000 0.000 0.287 148 I C -0.540 175.559 176.117 -0.030 0.000 1.023 148 I CA -0.745 60.560 61.300 0.009 0.000 1.083 148 I CB 1.716 39.712 38.000 -0.006 0.000 1.245 148 I HN 0.309 nan 8.210 nan 0.000 0.434 149 R N 6.391 126.869 120.500 -0.037 0.000 2.494 149 R HA 0.674 5.014 4.340 -0.000 0.000 0.305 149 R C -1.409 174.720 176.300 -0.284 0.000 0.959 149 R CA -1.015 54.971 56.100 -0.191 0.000 0.864 149 R CB 2.196 32.394 30.300 -0.171 0.000 1.159 149 R HN 0.337 nan 8.270 nan 0.000 0.446 150 L N 4.092 125.055 121.223 -0.434 0.000 2.313 150 L HA 0.513 4.853 4.340 -0.000 0.000 0.283 150 L C -0.722 175.817 176.870 -0.552 0.000 1.013 150 L CA -0.409 54.228 54.840 -0.339 0.000 0.816 150 L CB 0.839 42.786 42.059 -0.185 0.000 1.236 150 L HN 0.549 nan 8.230 nan 0.000 0.419 151 F N 2.039 121.964 119.950 -0.042 0.000 2.467 151 F HA 0.364 4.891 4.527 -0.000 0.000 0.336 151 F C 0.627 176.392 175.800 -0.059 0.000 1.123 151 F CA -0.750 57.231 58.000 -0.031 0.000 0.964 151 F CB 1.294 40.290 39.000 -0.007 0.000 1.136 151 F HN 0.553 nan 8.300 nan 0.000 0.447 152 D N 1.155 121.620 120.400 0.107 0.000 2.708 152 D HA -0.192 4.448 4.640 -0.000 0.000 0.236 152 D C -0.039 176.238 176.300 -0.038 0.000 1.146 152 D CA 0.836 54.864 54.000 0.046 0.000 0.662 152 D CB -0.780 40.061 40.800 0.068 0.000 1.059 152 D HN 0.552 nan 8.370 nan 0.000 0.428 153 A N -0.323 122.446 122.820 -0.085 0.000 2.269 153 A HA 0.838 5.158 4.320 -0.000 0.000 0.327 153 A C 0.860 178.472 177.584 0.046 0.000 1.112 153 A CA 0.225 52.154 52.037 -0.180 0.000 0.865 153 A CB 1.633 20.491 19.000 -0.237 0.000 1.227 153 A HN 0.258 nan 8.150 nan 0.000 0.498 154 G N -2.463 106.509 108.800 0.287 0.000 3.013 154 G HA2 0.578 4.538 3.960 -0.000 0.000 0.278 154 G HA3 0.578 4.538 3.960 -0.000 0.000 0.278 154 G C 0.889 175.886 174.900 0.162 0.000 1.353 154 G CA 0.105 45.329 45.100 0.207 0.000 1.043 154 G HN 1.570 nan 8.290 nan 0.000 0.523 155 I N 0.189 120.805 120.570 0.075 0.000 2.264 155 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 155 I C 2.587 178.711 176.117 0.013 0.000 1.111 155 I CA 2.612 63.934 61.300 0.037 0.000 1.382 155 I CB -1.442 36.568 38.000 0.016 0.000 1.060 155 I HN 0.790 nan 8.210 nan 0.000 0.418 156 R N -0.463 120.020 120.500 -0.029 0.000 2.115 156 R HA -0.202 4.137 4.340 -0.000 0.000 0.230 156 R C 2.158 178.374 176.300 -0.141 0.000 1.111 156 R CA 2.099 58.131 56.100 -0.114 0.000 0.976 156 R CB -1.117 29.067 30.300 -0.193 0.000 0.870 156 R HN 0.692 nan 8.270 nan 0.000 0.445 157 H N 0.366 119.431 119.070 -0.008 0.000 2.326 157 H HA 0.043 4.599 4.556 -0.000 0.000 0.301 157 H C 2.285 177.602 175.328 -0.019 0.000 1.081 157 H CA 1.872 57.912 56.048 -0.012 0.000 1.334 157 H CB -0.058 29.700 29.762 -0.006 0.000 1.385 157 H HN 0.160 nan 8.280 nan 0.000 0.504 158 R N 0.742 121.307 120.500 0.108 0.000 2.120 158 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 158 R C 2.501 178.810 176.300 0.016 0.000 1.123 158 R CA 1.502 57.628 56.100 0.044 0.000 0.975 158 R CB -0.024 30.293 30.300 0.027 0.000 0.866 158 R HN 0.550 nan 8.270 nan 0.000 0.446 159 E N 0.270 120.473 120.200 0.005 0.000 2.072 159 E HA -0.080 4.269 4.350 -0.000 0.000 0.191 159 E C 1.841 178.431 176.600 -0.016 0.000 0.985 159 E CA 1.137 57.530 56.400 -0.010 0.000 0.801 159 E CB -0.704 28.984 29.700 -0.020 0.000 0.750 159 E HN 0.616 nan 8.360 nan 0.000 0.452 160 A N 0.546 123.354 122.820 -0.021 0.000 1.902 160 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 160 A C 2.502 180.077 177.584 -0.016 0.000 1.181 160 A CA 1.549 53.571 52.037 -0.026 0.000 0.623 160 A CB -0.420 18.558 19.000 -0.035 0.000 0.818 160 A HN 0.514 nan 8.150 nan 0.000 0.443 161 I N -0.117 120.450 120.570 -0.004 0.000 2.179 161 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 161 I C 1.849 177.957 176.117 -0.015 0.000 1.088 161 I CA 1.510 62.805 61.300 -0.008 0.000 1.357 161 I CB -0.512 37.487 38.000 -0.001 0.000 1.051 161 I HN 0.260 nan 8.210 nan 0.000 0.409 162 D N 0.507 120.900 120.400 -0.012 0.000 2.144 162 D HA -0.202 4.437 4.640 -0.000 0.000 0.199 162 D C 2.199 178.489 176.300 -0.016 0.000 0.984 162 D CA 1.103 55.094 54.000 -0.014 0.000 0.834 162 D CB -0.251 40.542 40.800 -0.012 0.000 0.955 162 D HN 0.129 nan 8.370 nan 0.000 0.465 163 R N 0.707 121.196 120.500 -0.018 0.000 2.073 163 R HA -0.020 4.320 4.340 -0.000 0.000 0.234 163 R C 2.428 178.715 176.300 -0.021 0.000 1.134 163 R CA 0.869 56.958 56.100 -0.019 0.000 0.952 163 R CB -0.674 29.614 30.300 -0.021 0.000 0.850 163 R HN 0.175 nan 8.270 nan 0.000 0.433 164 L N -0.151 121.057 121.223 -0.024 0.000 2.093 164 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 164 L C 2.216 179.069 176.870 -0.029 0.000 1.085 164 L CA 1.029 55.852 54.840 -0.029 0.000 0.755 164 L CB -0.391 41.647 42.059 -0.034 0.000 0.904 164 L HN 0.227 nan 8.230 nan 0.000 0.435 165 L N -0.578 120.629 121.223 -0.027 0.000 2.201 165 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 165 L C 2.733 179.590 176.870 -0.023 0.000 1.105 165 L CA 0.882 55.706 54.840 -0.026 0.000 0.775 165 L CB -0.579 41.466 42.059 -0.023 0.000 0.913 165 L HN 0.233 nan 8.230 nan 0.000 0.440 166 A N -0.078 122.730 122.820 -0.020 0.000 1.903 166 A HA -0.120 4.200 4.320 -0.000 0.000 0.213 166 A C 2.369 179.942 177.584 -0.018 0.000 1.185 166 A CA 1.692 53.718 52.037 -0.018 0.000 0.628 166 A CB -0.572 18.419 19.000 -0.016 0.000 0.830 166 A HN 0.436 nan 8.150 nan 0.000 0.446 167 T N -4.256 110.286 114.554 -0.019 0.000 3.037 167 T HA 0.455 4.805 4.350 -0.000 0.000 0.252 167 T C 1.108 175.796 174.700 -0.021 0.000 1.073 167 T CA 1.193 63.282 62.100 -0.019 0.000 1.091 167 T CB -0.166 68.692 68.868 -0.018 0.000 0.935 167 T HN 1.953 nan 8.240 nan 0.000 0.488 168 G N 0.970 109.755 108.800 -0.025 0.000 2.710 168 G HA2 0.086 4.046 3.960 -0.000 0.000 0.668 168 G HA3 0.086 4.046 3.960 -0.000 0.000 0.668 168 G C -0.409 174.473 174.900 -0.031 0.000 1.320 168 G CA -0.440 44.642 45.100 -0.030 0.000 0.860 168 G HN 1.333 nan 8.290 nan 0.000 0.538 169 V N -2.143 117.750 119.914 -0.035 0.000 3.109 169 V HA 0.874 4.994 4.120 -0.000 0.000 0.317 169 V C 1.029 177.108 176.094 -0.025 0.000 1.074 169 V CA -0.971 61.309 62.300 -0.033 0.000 1.033 169 V CB 1.362 33.159 31.823 -0.042 0.000 1.111 169 V HN 1.004 nan 8.190 nan 0.000 0.458 170 R N 0.732 121.221 120.500 -0.019 0.000 2.679 170 R HA 0.224 4.564 4.340 -0.000 0.000 0.268 170 R C 0.036 176.328 176.300 -0.013 0.000 1.044 170 R CA -0.027 56.066 56.100 -0.012 0.000 1.105 170 R CB 0.327 30.625 30.300 -0.003 0.000 0.989 170 R HN 0.776 nan 8.270 nan 0.000 0.447 171 E N 1.009 121.203 120.200 -0.011 0.000 2.354 171 E HA 0.084 4.434 4.350 -0.000 0.000 0.269 171 E C -0.616 175.981 176.600 -0.005 0.000 1.036 171 E CA -0.345 56.048 56.400 -0.011 0.000 0.876 171 E CB 1.166 30.860 29.700 -0.010 0.000 1.009 171 E HN 0.182 nan 8.360 nan 0.000 0.416 172 V N 5.868 125.780 119.914 -0.004 0.000 2.432 172 V HA 0.153 4.272 4.120 -0.000 0.000 0.271 172 V C -1.305 174.793 176.094 0.008 0.000 1.046 172 V CA -1.280 61.023 62.300 0.006 0.000 0.945 172 V CB 0.367 32.195 31.823 0.007 0.000 0.992 172 V HN 0.685 nan 8.190 nan 0.000 0.471 173 P HA 0.140 nan 4.420 nan 0.000 0.275 173 P C -0.441 176.860 177.300 0.002 0.000 1.266 173 P CA -0.620 62.480 63.100 -0.001 0.000 0.793 173 P CB 0.738 32.433 31.700 -0.008 0.000 1.074 174 Q N 0.335 120.128 119.800 -0.011 0.000 2.395 174 Q HA 0.171 4.511 4.340 -0.000 0.000 0.271 174 Q C 0.176 176.162 176.000 -0.024 0.000 1.026 174 Q CA -0.288 55.506 55.803 -0.014 0.000 0.900 174 Q CB 0.424 29.145 28.738 -0.029 0.000 1.266 174 Q HN 0.580 nan 8.270 nan 0.000 0.430 175 S N 2.843 118.533 115.700 -0.016 0.000 2.632 175 S HA 0.426 4.896 4.470 -0.000 0.000 0.267 175 S C -0.345 174.215 174.600 -0.066 0.000 1.276 175 S CA -0.798 57.391 58.200 -0.019 0.000 0.998 175 S CB 1.417 64.618 63.200 0.002 0.000 0.953 175 S HN 0.685 nan 8.310 nan 0.000 0.547 176 R N 0.771 121.221 120.500 -0.082 0.000 2.445 176 R HA 0.467 4.807 4.340 -0.000 0.000 0.308 176 R C -0.096 176.201 176.300 -0.005 0.000 0.961 176 R CA -0.277 55.726 56.100 -0.162 0.000 0.862 176 R CB 1.382 31.351 30.300 -0.553 0.000 1.144 176 R HN 0.941 nan 8.270 nan 0.000 0.447 177 S N 1.724 117.417 115.700 -0.011 0.000 2.593 177 S HA 0.451 4.921 4.470 -0.000 0.000 0.269 177 S C -0.241 174.438 174.600 0.131 0.000 1.334 177 S CA -0.661 57.560 58.200 0.035 0.000 1.015 177 S CB 1.533 64.730 63.200 -0.005 0.000 0.912 177 S HN 0.290 nan 8.310 nan 0.000 0.541 178 V N 1.765 121.738 119.914 0.099 0.000 2.686 178 V HA 0.343 4.463 4.120 -0.000 0.000 0.306 178 V C -0.579 175.541 176.094 0.044 0.000 1.065 178 V CA -0.882 61.482 62.300 0.107 0.000 0.894 178 V CB 1.899 33.764 31.823 0.070 0.000 1.004 178 V HN 1.032 nan 8.190 nan 0.000 0.424 179 D N 3.081 123.511 120.400 0.049 0.000 2.383 179 D HA 0.159 4.799 4.640 -0.000 0.000 0.252 179 D C 0.645 176.960 176.300 0.025 0.000 1.166 179 D CA 0.197 54.219 54.000 0.036 0.000 0.879 179 D CB 1.875 42.702 40.800 0.046 0.000 1.164 179 D HN 0.484 nan 8.370 nan 0.000 0.462 180 V N 1.484 121.405 119.914 0.012 0.000 3.276 180 V HA 0.121 4.241 4.120 -0.000 0.000 0.319 180 V C 1.414 177.529 176.094 0.036 0.000 1.427 180 V CA 0.552 62.844 62.300 -0.014 0.000 1.102 180 V CB -0.189 31.586 31.823 -0.080 0.000 1.020 180 V HN 0.473 nan 8.190 nan 0.000 0.456 181 S N -0.199 115.567 115.700 0.110 0.000 2.496 181 S HA 0.153 4.623 4.470 -0.000 0.000 0.224 181 S C 0.852 175.637 174.600 0.308 0.000 0.996 181 S CA 0.737 59.080 58.200 0.238 0.000 0.927 181 S CB -0.989 62.301 63.200 0.149 0.000 0.774 181 S HN 0.967 nan 8.310 nan 0.000 0.524 182 D N 0.816 121.341 120.400 0.207 0.000 2.344 182 D HA 0.444 5.084 4.640 -0.000 0.000 0.244 182 D C -0.376 176.072 176.300 0.248 0.000 1.134 182 D CA -0.129 53.964 54.000 0.155 0.000 0.930 182 D CB 0.224 41.078 40.800 0.091 0.000 1.175 182 D HN 0.269 nan 8.370 nan 0.000 0.437 183 D N -0.504 119.972 120.400 0.126 0.000 2.849 183 D HA 0.201 4.841 4.640 -0.000 0.000 0.314 183 D C -1.420 174.934 176.300 0.091 0.000 1.210 183 D CA -0.899 53.199 54.000 0.163 0.000 0.756 183 D CB 1.093 41.877 40.800 -0.025 0.000 1.222 183 D HN 0.180 nan 8.370 nan 0.000 0.521 184 P HA -0.116 nan 4.420 nan 0.000 0.218 184 P C 1.004 178.332 177.300 0.047 0.000 1.149 184 P CA 0.727 63.854 63.100 0.045 0.000 0.817 184 P CB 0.169 31.888 31.700 0.031 0.000 0.785 185 S N -1.557 114.187 115.700 0.073 0.000 2.631 185 S HA 0.328 4.798 4.470 -0.000 0.000 0.217 185 S C 1.399 176.059 174.600 0.100 0.000 0.958 185 S CA 0.244 58.487 58.200 0.072 0.000 0.920 185 S CB -1.213 62.028 63.200 0.069 0.000 0.776 185 S HN 0.349 nan 8.310 nan 0.000 0.517 186 G N 1.262 110.126 108.800 0.107 0.000 2.314 186 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.292 186 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.292 186 G C 0.074 175.062 174.900 0.147 0.000 1.059 186 G CA 0.243 45.399 45.100 0.093 0.000 0.982 186 G HN 0.544 nan 8.290 nan 0.000 0.505 187 F N 0.524 120.527 119.950 0.088 0.000 2.095 187 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 187 F C 2.669 178.534 175.800 0.108 0.000 1.104 187 F CA 2.427 60.504 58.000 0.128 0.000 1.232 187 F CB -0.192 38.958 39.000 0.250 0.000 0.987 187 F HN 0.311 nan 8.300 nan 0.000 0.475 188 R N -0.142 120.433 120.500 0.125 0.000 2.096 188 R HA -0.222 4.118 4.340 -0.000 0.000 0.240 188 R C 2.508 178.747 176.300 -0.101 0.000 1.139 188 R CA 2.011 58.094 56.100 -0.029 0.000 0.952 188 R CB -0.598 29.680 30.300 -0.036 0.000 0.854 188 R HN 0.289 nan 8.270 nan 0.000 0.436 189 R N 0.976 121.440 120.500 -0.059 0.000 2.070 189 R HA -0.130 4.210 4.340 -0.000 0.000 0.233 189 R C 2.177 178.432 176.300 -0.076 0.000 1.137 189 R CA 1.676 57.744 56.100 -0.054 0.000 0.945 189 R CB -0.082 30.203 30.300 -0.025 0.000 0.845 189 R HN 0.177 nan 8.270 nan 0.000 0.430 190 R N -0.111 120.336 120.500 -0.089 0.000 2.105 190 R HA -0.099 4.241 4.340 -0.000 0.000 0.239 190 R C 2.301 178.508 176.300 -0.155 0.000 1.135 190 R CA 1.513 57.557 56.100 -0.094 0.000 0.967 190 R CB -0.312 29.949 30.300 -0.065 0.000 0.861 190 R HN 0.139 nan 8.270 nan 0.000 0.442 191 V N 1.072 120.809 119.914 -0.294 0.000 2.343 191 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 191 V C 2.499 178.511 176.094 -0.137 0.000 1.051 191 V CA 1.941 64.069 62.300 -0.287 0.000 1.036 191 V CB -0.743 30.827 31.823 -0.421 0.000 0.654 191 V HN 0.407 nan 8.190 nan 0.000 0.451 192 A N -0.101 122.652 122.820 -0.112 0.000 1.917 192 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 192 A C 2.402 179.955 177.584 -0.052 0.000 1.182 192 A CA 2.311 54.307 52.037 -0.068 0.000 0.633 192 A CB -0.785 18.182 19.000 -0.056 0.000 0.819 192 A HN 0.347 nan 8.150 nan 0.000 0.448 193 V N -0.213 119.675 119.914 -0.044 0.000 2.287 193 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 193 V C 3.060 179.150 176.094 -0.007 0.000 1.053 193 V CA 2.045 64.334 62.300 -0.019 0.000 1.027 193 V CB -1.326 30.495 31.823 -0.002 0.000 0.646 193 V HN 0.643 nan 8.190 nan 0.000 0.447 194 A N -0.207 122.617 122.820 0.006 0.000 1.877 194 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 194 A C 2.403 179.970 177.584 -0.028 0.000 1.186 194 A CA 2.095 54.169 52.037 0.060 0.000 0.620 194 A CB -0.767 18.287 19.000 0.090 0.000 0.822 194 A HN 0.332 nan 8.150 nan 0.000 0.443 195 V N 0.843 120.729 119.914 -0.048 0.000 2.332 195 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 195 V C 2.205 178.239 176.094 -0.100 0.000 1.055 195 V CA 2.371 64.628 62.300 -0.073 0.000 1.038 195 V CB -0.835 30.954 31.823 -0.058 0.000 0.651 195 V HN 0.534 nan 8.190 nan 0.000 0.450 196 D N -0.174 120.177 120.400 -0.081 0.000 2.097 196 D HA -0.168 4.472 4.640 -0.000 0.000 0.195 196 D C 2.206 178.431 176.300 -0.126 0.000 0.989 196 D CA 1.454 55.404 54.000 -0.083 0.000 0.827 196 D CB -0.195 40.572 40.800 -0.054 0.000 0.966 196 D HN 0.595 nan 8.370 nan 0.000 0.456 197 E N 0.437 120.542 120.200 -0.158 0.000 2.077 197 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 197 E C 2.438 178.765 176.600 -0.455 0.000 0.989 197 E CA 0.495 56.736 56.400 -0.265 0.000 0.800 197 E CB -0.062 29.491 29.700 -0.246 0.000 0.746 197 E HN 0.344 nan 8.360 nan 0.000 0.452 198 I N 1.276 121.549 120.570 -0.495 0.000 2.252 198 I HA -0.235 3.934 4.170 -0.000 0.000 0.245 198 I C 2.583 178.549 176.117 -0.251 0.000 1.102 198 I CA 0.874 61.904 61.300 -0.450 0.000 1.385 198 I CB -0.314 37.504 38.000 -0.304 0.000 1.064 198 I HN 0.062 nan 8.210 nan 0.000 0.414 199 A N 0.691 123.401 122.820 -0.182 0.000 1.969 199 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 199 A C 2.425 179.947 177.584 -0.103 0.000 1.169 199 A CA 1.639 53.605 52.037 -0.118 0.000 0.635 199 A CB -0.607 18.339 19.000 -0.089 0.000 0.810 199 A HN 0.427 nan 8.150 nan 0.000 0.445 200 A N -1.877 120.870 122.820 -0.121 0.000 2.167 200 A HA 0.390 4.710 4.320 -0.000 0.000 0.214 200 A C 1.807 179.339 177.584 -0.088 0.000 1.151 200 A CA 1.295 53.278 52.037 -0.090 0.000 0.735 200 A CB -0.831 18.119 19.000 -0.084 0.000 0.802 200 A HN 1.884 nan 8.150 nan 0.000 0.467 201 G N -0.899 107.827 108.800 -0.124 0.000 2.132 201 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.234 201 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.234 201 G C 0.922 175.773 174.900 -0.082 0.000 0.989 201 G CA 0.488 45.536 45.100 -0.088 0.000 0.676 201 G HN 0.515 nan 8.290 nan 0.000 0.522 202 R N -1.061 119.340 120.500 -0.164 0.000 2.115 202 R HA 0.179 4.519 4.340 -0.000 0.000 0.230 202 R C 1.004 177.360 176.300 0.093 0.000 1.111 202 R CA 1.891 57.956 56.100 -0.059 0.000 0.976 202 R CB -0.103 30.153 30.300 -0.073 0.000 0.870 202 R HN 0.879 nan 8.270 nan 0.000 0.445 203 Y N -6.168 114.145 120.300 0.022 0.000 2.750 203 Y HA 0.256 4.806 4.550 -0.000 0.000 0.335 203 Y C 0.572 176.510 175.900 0.064 0.000 1.252 203 Y CA -1.168 56.958 58.100 0.043 0.000 1.064 203 Y CB 0.409 38.887 38.460 0.030 0.000 1.321 203 Y HN -0.230 nan 8.280 nan 0.000 0.451 204 H N 0.909 120.101 119.070 0.203 0.000 2.486 204 H HA 0.354 4.910 4.556 -0.000 0.000 0.287 204 H C -0.549 174.873 175.328 0.156 0.000 1.010 204 H CA 1.369 57.486 56.048 0.114 0.000 1.324 204 H CB 0.635 30.447 29.762 0.083 0.000 1.446 204 H HN 0.658 nan 8.280 nan 0.000 0.537 205 K N 0.388 121.010 120.400 0.370 0.000 2.562 205 K HA 0.407 4.727 4.320 -0.000 0.000 0.267 205 K C -2.204 174.529 176.600 0.223 0.000 0.938 205 K CA -0.629 55.821 56.287 0.271 0.000 0.840 205 K CB 2.565 35.233 32.500 0.279 0.000 1.390 205 K HN -0.024 nan 8.250 nan 0.000 0.428 206 V N 4.380 124.391 119.914 0.163 0.000 2.932 206 V HA 0.528 4.648 4.120 -0.000 0.000 0.307 206 V C -1.705 174.428 176.094 0.065 0.000 1.147 206 V CA -0.841 61.483 62.300 0.040 0.000 0.951 206 V CB 1.856 33.648 31.823 -0.053 0.000 1.031 206 V HN 0.712 nan 8.190 nan 0.000 0.426 207 I N 6.926 127.520 120.570 0.040 0.000 2.304 207 I HA 0.483 4.653 4.170 -0.000 0.000 0.291 207 I C 0.024 176.190 176.117 0.081 0.000 1.018 207 I CA 0.209 61.555 61.300 0.075 0.000 1.260 207 I CB 1.150 39.187 38.000 0.061 0.000 1.390 207 I HN 0.448 nan 8.210 nan 0.000 0.475 208 L N 5.602 126.919 121.223 0.156 0.000 2.322 208 L HA 0.775 5.115 4.340 -0.000 0.000 0.269 208 L C 0.191 177.295 176.870 0.390 0.000 1.012 208 L CA -0.487 54.476 54.840 0.205 0.000 0.815 208 L CB 1.970 44.103 42.059 0.123 0.000 1.295 208 L HN 0.714 nan 8.230 nan 0.000 0.438 209 S N 0.914 116.815 115.700 0.335 0.000 2.720 209 S HA 0.858 5.328 4.470 -0.000 0.000 0.287 209 S C -1.069 173.578 174.600 0.078 0.000 1.168 209 S CA -1.001 57.297 58.200 0.163 0.000 0.832 209 S CB 2.636 65.849 63.200 0.021 0.000 1.166 209 S HN 0.773 nan 8.310 nan 0.000 0.493 210 R N -0.812 119.587 120.500 -0.169 0.000 2.668 210 R HA 0.748 5.088 4.340 -0.000 0.000 0.272 210 R C -1.562 174.646 176.300 -0.153 0.000 1.019 210 R CA -0.832 55.191 56.100 -0.129 0.000 0.894 210 R CB 0.619 30.809 30.300 -0.184 0.000 1.228 210 R HN 0.673 nan 8.270 nan 0.000 0.460 211 C N 1.764 121.014 119.300 -0.082 0.000 2.370 211 C HA 0.672 5.132 4.460 -0.000 0.000 0.354 211 C C -0.027 174.968 174.990 0.009 0.000 1.218 211 C CA -0.484 58.529 59.018 -0.007 0.000 2.154 211 C CB 1.153 28.844 27.740 -0.083 0.000 2.391 211 C HN 0.540 nan 8.230 nan 0.000 0.540 212 V N 3.257 123.215 119.914 0.074 0.000 2.483 212 V HA 0.280 4.400 4.120 -0.000 0.000 0.297 212 V C -0.118 176.035 176.094 0.099 0.000 1.027 212 V CA -0.381 61.946 62.300 0.045 0.000 0.855 212 V CB 1.438 33.260 31.823 -0.003 0.000 0.995 212 V HN 0.798 nan 8.190 nan 0.000 0.424 213 E N 2.822 123.062 120.200 0.067 0.000 2.360 213 E HA 0.220 4.570 4.350 -0.000 0.000 0.269 213 E C -0.645 175.959 176.600 0.006 0.000 1.022 213 E CA -0.061 56.383 56.400 0.074 0.000 0.887 213 E CB 1.954 31.675 29.700 0.036 0.000 0.990 213 E HN 0.403 nan 8.360 nan 0.000 0.426 214 V N 6.393 126.280 119.914 -0.046 0.000 2.333 214 V HA 0.116 4.236 4.120 -0.000 0.000 0.274 214 V C -1.339 174.591 176.094 -0.272 0.000 1.028 214 V CA -1.180 60.950 62.300 -0.283 0.000 0.851 214 V CB 1.198 32.757 31.823 -0.441 0.000 1.000 214 V HN 0.540 nan 8.190 nan 0.000 0.456 215 P HA 0.044 nan 4.420 nan 0.000 0.258 215 P C -0.413 176.973 177.300 0.142 0.000 1.319 215 P CA 0.480 63.594 63.100 0.023 0.000 0.785 215 P CB -0.358 31.412 31.700 0.117 0.000 1.252 216 F N -2.828 117.150 119.950 0.047 0.000 2.668 216 F HA 0.753 5.280 4.527 -0.000 0.000 0.309 216 F C -1.060 174.772 175.800 0.054 0.000 1.117 216 F CA -2.208 55.817 58.000 0.042 0.000 0.951 216 F CB 0.512 39.526 39.000 0.024 0.000 1.323 216 F HN -0.187 nan 8.300 nan 0.000 0.451 217 A N 2.822 125.797 122.820 0.258 0.000 2.401 217 A HA 0.658 4.978 4.320 -0.000 0.000 0.259 217 A C -0.178 177.562 177.584 0.259 0.000 1.103 217 A CA -0.464 51.686 52.037 0.187 0.000 0.789 217 A CB -0.058 19.045 19.000 0.172 0.000 1.035 217 A HN 1.042 nan 8.150 nan 0.000 0.491 218 I N -0.547 120.115 120.570 0.153 0.000 2.707 218 I HA 0.505 4.675 4.170 -0.000 0.000 0.309 218 I C -0.531 175.648 176.117 0.103 0.000 1.001 218 I CA -0.875 60.485 61.300 0.101 0.000 1.129 218 I CB 1.840 39.747 38.000 -0.154 0.000 1.308 218 I HN 0.492 nan 8.210 nan 0.000 0.466 219 D N 3.554 123.997 120.400 0.072 0.000 2.380 219 D HA 0.190 4.830 4.640 -0.000 0.000 0.230 219 D C 0.458 176.803 176.300 0.076 0.000 1.154 219 D CA -0.156 53.918 54.000 0.124 0.000 0.859 219 D CB 0.680 41.538 40.800 0.096 0.000 1.045 219 D HN 0.553 nan 8.370 nan 0.000 0.495 220 F N 3.888 123.882 119.950 0.073 0.000 2.102 220 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 220 F C -0.667 175.202 175.800 0.114 0.000 1.105 220 F CA 0.794 58.835 58.000 0.067 0.000 1.239 220 F CB -1.304 37.718 39.000 0.038 0.000 0.991 220 F HN 0.426 nan 8.300 nan 0.000 0.474 221 P HA -0.155 nan 4.420 nan 0.000 0.216 221 P C 1.956 179.371 177.300 0.192 0.000 1.153 221 P CA 1.504 64.736 63.100 0.220 0.000 0.848 221 P CB -0.049 31.738 31.700 0.146 0.000 0.787 222 L N -1.547 119.752 121.223 0.128 0.000 2.083 222 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 222 L C 2.285 179.202 176.870 0.078 0.000 1.083 222 L CA 1.677 56.569 54.840 0.086 0.000 0.752 222 L CB -1.493 40.603 42.059 0.061 0.000 0.899 222 L HN 0.039 nan 8.230 nan 0.000 0.433 223 T N -1.260 113.331 114.554 0.062 0.000 2.777 223 T HA -0.240 4.109 4.350 -0.000 0.000 0.266 223 T C 1.691 176.439 174.700 0.080 0.000 1.040 223 T CA 1.324 63.448 62.100 0.039 0.000 1.141 223 T CB -0.335 68.478 68.868 -0.093 0.000 0.868 223 T HN 0.327 nan 8.240 nan 0.000 0.444 224 Y N 2.177 122.487 120.300 0.015 0.000 2.165 224 Y HA -0.162 4.388 4.550 -0.000 0.000 0.286 224 Y C 2.455 178.417 175.900 0.102 0.000 1.155 224 Y CA 1.357 59.492 58.100 0.058 0.000 1.164 224 Y CB -0.176 38.306 38.460 0.036 0.000 0.978 224 Y HN 0.016 nan 8.280 nan 0.000 0.513 225 R N -0.578 119.937 120.500 0.025 0.000 2.081 225 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 225 R C 2.147 178.337 176.300 -0.183 0.000 1.131 225 R CA 1.477 57.523 56.100 -0.091 0.000 0.960 225 R CB -0.685 29.622 30.300 0.011 0.000 0.856 225 R HN 0.362 nan 8.270 nan 0.000 0.436 226 L N 0.371 121.535 121.223 -0.097 0.000 2.046 226 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 226 L C 2.082 178.777 176.870 -0.292 0.000 1.077 226 L CA 2.116 56.912 54.840 -0.073 0.000 0.747 226 L CB -0.988 41.127 42.059 0.093 0.000 0.896 226 L HN 0.191 nan 8.230 nan 0.000 0.432 227 G N -1.325 107.173 108.800 -0.503 0.000 2.403 227 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.216 227 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.216 227 G C 1.715 175.933 174.900 -1.137 0.000 1.154 227 G CA 0.619 44.915 45.100 -1.339 0.000 0.784 227 G HN 0.323 nan 8.290 nan 0.000 0.538 228 R N 0.826 120.876 120.500 -0.750 0.000 2.235 228 R HA 0.107 4.447 4.340 -0.000 0.000 0.213 228 R C 2.268 178.314 176.300 -0.424 0.000 1.059 228 R CA 0.885 56.645 56.100 -0.568 0.000 0.997 228 R CB -0.518 29.498 30.300 -0.472 0.000 0.884 228 R HN 0.388 nan 8.270 nan 0.000 0.462 229 R N -1.073 119.143 120.500 -0.474 0.000 2.189 229 R HA -0.076 4.264 4.340 -0.000 0.000 0.218 229 R C 0.487 176.398 176.300 -0.648 0.000 1.074 229 R CA 1.267 57.059 56.100 -0.513 0.000 0.991 229 R CB 0.002 29.962 30.300 -0.567 0.000 0.883 229 R HN 0.400 nan 8.270 nan 0.000 0.457 230 H N -0.903 117.972 119.070 -0.325 0.000 2.784 230 H HA 0.349 4.905 4.556 -0.000 0.000 0.273 230 H C -0.475 174.702 175.328 -0.252 0.000 1.112 230 H CA -0.233 55.678 56.048 -0.229 0.000 1.162 230 H CB 0.578 30.263 29.762 -0.128 0.000 1.586 230 H HN 0.133 nan 8.280 nan 0.000 0.548 231 N N 0.832 119.366 118.700 -0.276 0.000 2.331 231 N HA 0.128 4.867 4.740 -0.000 0.000 0.280 231 N C -0.587 174.818 175.510 -0.174 0.000 1.155 231 N CA -0.188 52.714 53.050 -0.246 0.000 0.822 231 N CB 2.720 40.938 38.487 -0.447 0.000 1.619 231 N HN 0.019 nan 8.380 nan 0.000 0.476 232 T N -1.801 112.710 114.554 -0.071 0.000 3.401 232 T HA 0.346 4.696 4.350 -0.000 0.000 0.341 232 T C -2.587 172.120 174.700 0.011 0.000 1.674 232 T CA -1.420 60.670 62.100 -0.016 0.000 1.600 232 T CB 0.820 69.689 68.868 0.002 0.000 0.974 232 T HN 0.209 nan 8.240 nan 0.000 0.672 233 P HA 0.120 nan 4.420 nan 0.000 0.272 233 P C 1.314 178.616 177.300 0.004 0.000 1.240 233 P CA -0.554 62.578 63.100 0.053 0.000 0.791 233 P CB 1.480 33.257 31.700 0.127 0.000 0.978 234 V N 0.885 120.790 119.914 -0.014 0.000 2.490 234 V HA -0.110 4.010 4.120 -0.000 0.000 0.250 234 V C 0.849 176.898 176.094 -0.075 0.000 1.061 234 V CA 1.807 64.082 62.300 -0.040 0.000 1.064 234 V CB -0.502 31.298 31.823 -0.038 0.000 0.670 234 V HN 0.528 nan 8.190 nan 0.000 0.461 235 R N -0.420 120.045 120.500 -0.059 0.000 2.680 235 R HA 0.572 4.912 4.340 -0.000 0.000 0.269 235 R C -0.924 175.357 176.300 -0.031 0.000 1.026 235 R CA 0.268 56.275 56.100 -0.154 0.000 0.889 235 R CB 1.968 32.181 30.300 -0.144 0.000 1.241 235 R HN 0.395 nan 8.270 nan 0.000 0.463 236 S N 0.437 116.089 115.700 -0.081 0.000 2.607 236 S HA 0.886 5.356 4.470 -0.000 0.000 0.273 236 S C -0.947 173.779 174.600 0.210 0.000 1.148 236 S CA -0.826 57.465 58.200 0.152 0.000 0.833 236 S CB 2.117 65.523 63.200 0.344 0.000 1.130 236 S HN 0.535 nan 8.310 nan 0.000 0.470 237 F N -0.537 119.484 119.950 0.118 0.000 2.713 237 F HA 0.895 5.422 4.527 -0.000 0.000 0.311 237 F C -2.166 173.615 175.800 -0.032 0.000 1.141 237 F CA -1.248 56.798 58.000 0.078 0.000 0.939 237 F CB 1.287 40.408 39.000 0.202 0.000 1.325 237 F HN 0.757 nan 8.300 nan 0.000 0.453 238 L N 4.011 125.261 121.223 0.045 0.000 2.505 238 L HA 0.843 5.183 4.340 -0.000 0.000 0.266 238 L C -1.987 175.014 176.870 0.218 0.000 0.954 238 L CA -0.593 54.231 54.840 -0.027 0.000 0.852 238 L CB 1.950 43.831 42.059 -0.296 0.000 1.282 238 L HN 1.000 nan 8.230 nan 0.000 0.403 239 L N 1.928 123.226 121.223 0.124 0.000 2.479 239 L HA 0.810 5.150 4.340 -0.000 0.000 0.255 239 L C -1.208 175.387 176.870 -0.458 0.000 1.026 239 L CA -0.529 54.235 54.840 -0.126 0.000 0.842 239 L CB 1.994 44.099 42.059 0.076 0.000 1.444 239 L HN 0.747 nan 8.230 nan 0.000 0.409 240 Q N 1.649 120.992 119.800 -0.761 0.000 2.483 240 Q HA 0.715 5.055 4.340 -0.000 0.000 0.245 240 Q C -2.273 173.463 176.000 -0.440 0.000 0.902 240 Q CA -0.386 55.043 55.803 -0.623 0.000 0.767 240 Q CB 1.676 29.959 28.738 -0.759 0.000 1.341 240 Q HN 0.900 nan 8.270 nan 0.000 0.453 241 L N 3.015 124.093 121.223 -0.242 0.000 2.505 241 L HA 0.657 4.996 4.340 -0.000 0.000 0.266 241 L C 0.342 177.188 176.870 -0.041 0.000 0.954 241 L CA 0.027 54.773 54.840 -0.156 0.000 0.852 241 L CB 1.659 43.684 42.059 -0.056 0.000 1.282 241 L HN 0.844 nan 8.230 nan 0.000 0.403 242 G N 3.009 111.775 108.800 -0.058 0.000 2.356 242 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.296 242 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.296 242 G C 0.950 175.860 174.900 0.018 0.000 1.022 242 G CA 0.736 45.838 45.100 0.003 0.000 0.961 242 G HN 1.904 nan 8.290 nan 0.000 0.510 243 G N -1.864 106.921 108.800 -0.025 0.000 2.176 243 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.253 243 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.253 243 G C 0.280 175.160 174.900 -0.034 0.000 0.979 243 G CA 0.423 45.512 45.100 -0.018 0.000 0.641 243 G HN 1.365 nan 8.290 nan 0.000 0.530 244 I N 0.546 121.078 120.570 -0.064 0.000 2.406 244 I HA 0.525 4.695 4.170 -0.000 0.000 0.290 244 I C 0.469 176.441 176.117 -0.242 0.000 0.999 244 I CA -0.859 60.372 61.300 -0.115 0.000 1.124 244 I CB 1.670 39.611 38.000 -0.098 0.000 1.289 244 I HN -0.039 nan 8.210 nan 0.000 0.441 245 R N 4.479 124.745 120.500 -0.389 0.000 2.514 245 R HA 0.893 5.233 4.340 -0.000 0.000 0.301 245 R C -0.976 174.909 176.300 -0.691 0.000 0.962 245 R CA -0.650 55.011 56.100 -0.731 0.000 0.882 245 R CB 2.253 31.796 30.300 -1.261 0.000 1.143 245 R HN 0.777 nan 8.270 nan 0.000 0.452 246 A N 2.590 125.162 122.820 -0.414 0.000 2.608 246 A HA 0.661 4.980 4.320 -0.000 0.000 0.292 246 A C -1.869 175.787 177.584 0.119 0.000 1.066 246 A CA -0.746 51.295 52.037 0.007 0.000 0.676 246 A CB 1.358 20.481 19.000 0.204 0.000 1.277 246 A HN 0.535 nan 8.150 nan 0.000 0.413 247 L N -1.671 119.460 121.223 -0.152 0.000 2.518 247 L HA 1.073 5.413 4.340 -0.000 0.000 0.257 247 L C -0.184 175.986 176.870 -1.168 0.000 0.980 247 L CA 0.031 54.453 54.840 -0.696 0.000 0.837 247 L CB 1.639 43.579 42.059 -0.199 0.000 1.410 247 L HN 1.808 nan 8.230 nan 0.000 0.410 248 G N -0.144 107.672 108.800 -1.639 0.000 2.601 248 G HA2 0.552 4.512 3.960 -0.000 0.000 0.291 248 G HA3 0.552 4.512 3.960 -0.000 0.000 0.291 248 G C -2.439 171.957 174.900 -0.839 0.000 1.456 248 G CA -0.582 43.892 45.100 -1.044 0.000 0.804 248 G HN 0.526 nan 8.290 nan 0.000 0.499 249 Y N 0.858 121.140 120.300 -0.030 0.000 2.686 249 Y HA 0.580 5.130 4.550 -0.000 0.000 0.331 249 Y C 0.826 176.776 175.900 0.082 0.000 0.996 249 Y CA -1.098 57.014 58.100 0.021 0.000 1.293 249 Y CB 1.669 40.119 38.460 -0.016 0.000 1.092 249 Y HN 0.471 nan 8.280 nan 0.000 0.524 250 S N 5.243 121.072 115.700 0.216 0.000 2.525 250 S HA 0.076 4.546 4.470 -0.000 0.000 0.285 250 S C -1.282 173.371 174.600 0.089 0.000 1.283 250 S CA -0.861 57.444 58.200 0.174 0.000 1.072 250 S CB 0.600 63.908 63.200 0.179 0.000 0.867 250 S HN 0.503 nan 8.310 nan 0.000 0.492 251 P HA 0.178 nan 4.420 nan 0.000 0.255 251 P C -0.244 176.973 177.300 -0.139 0.000 1.248 251 P CA 0.334 63.376 63.100 -0.096 0.000 0.807 251 P CB 0.142 31.837 31.700 -0.008 0.000 1.150 252 E N 0.006 120.188 120.200 -0.030 0.000 2.335 252 E HA 0.351 4.701 4.350 -0.000 0.000 0.280 252 E C -1.770 174.850 176.600 0.033 0.000 0.918 252 E CA -0.939 55.453 56.400 -0.012 0.000 0.765 252 E CB 1.707 31.412 29.700 0.009 0.000 1.218 252 E HN -0.180 nan 8.360 nan 0.000 0.425 253 L N 6.035 127.276 121.223 0.031 0.000 2.261 253 L HA 0.254 4.594 4.340 -0.000 0.000 0.289 253 L C 0.080 176.989 176.870 0.065 0.000 1.059 253 L CA 0.196 55.069 54.840 0.055 0.000 0.816 253 L CB 1.152 43.236 42.059 0.040 0.000 1.191 253 L HN 0.657 nan 8.230 nan 0.000 0.431 254 V N 3.203 123.169 119.914 0.087 0.000 2.379 254 V HA 0.037 4.157 4.120 -0.000 0.000 0.245 254 V C 0.676 176.823 176.094 0.088 0.000 1.044 254 V CA 1.602 63.962 62.300 0.100 0.000 1.036 254 V CB -0.532 31.386 31.823 0.158 0.000 0.664 254 V HN 0.903 nan 8.190 nan 0.000 0.453 255 T N -0.495 114.103 114.554 0.073 0.000 3.159 255 T HA 0.693 5.043 4.350 -0.000 0.000 0.343 255 T C -1.024 173.691 174.700 0.026 0.000 1.364 255 T CA 0.047 62.174 62.100 0.046 0.000 1.102 255 T CB 1.805 70.696 68.868 0.038 0.000 1.263 255 T HN 0.379 nan 8.240 nan 0.000 0.477 256 A N 2.258 125.088 122.820 0.016 0.000 2.375 256 A HA 0.792 5.112 4.320 -0.000 0.000 0.295 256 A C -1.033 176.545 177.584 -0.009 0.000 1.066 256 A CA -0.638 51.402 52.037 0.004 0.000 0.722 256 A CB 1.207 20.217 19.000 0.016 0.000 1.206 256 A HN 0.679 nan 8.150 nan 0.000 0.435 257 V N 3.614 123.510 119.914 -0.029 0.000 2.409 257 V HA 0.439 4.559 4.120 -0.000 0.000 0.291 257 V C 0.260 176.330 176.094 -0.040 0.000 1.020 257 V CA -0.523 61.757 62.300 -0.034 0.000 0.848 257 V CB 1.431 33.226 31.823 -0.047 0.000 0.990 257 V HN 0.981 nan 8.190 nan 0.000 0.430 258 R N 2.616 123.098 120.500 -0.030 0.000 2.532 258 R HA 0.596 4.936 4.340 -0.000 0.000 0.272 258 R C 1.442 177.720 176.300 -0.036 0.000 1.032 258 R CA 0.042 56.123 56.100 -0.031 0.000 1.089 258 R CB 1.017 31.306 30.300 -0.020 0.000 1.098 258 R HN 0.799 nan 8.270 nan 0.000 0.526 259 A N 1.448 124.244 122.820 -0.040 0.000 1.978 259 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 259 A C 1.233 178.798 177.584 -0.032 0.000 1.170 259 A CA 1.983 53.995 52.037 -0.041 0.000 0.636 259 A CB -0.526 18.449 19.000 -0.042 0.000 0.810 259 A HN 0.877 nan 8.150 nan 0.000 0.448 260 D N -2.110 118.275 120.400 -0.025 0.000 2.363 260 D HA 0.257 4.897 4.640 -0.000 0.000 0.226 260 D C 1.174 177.463 176.300 -0.018 0.000 1.020 260 D CA 0.986 54.974 54.000 -0.019 0.000 0.892 260 D CB -0.627 40.165 40.800 -0.014 0.000 0.900 260 D HN 0.794 nan 8.370 nan 0.000 0.531 261 G N -0.713 108.074 108.800 -0.022 0.000 2.195 261 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.246 261 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.246 261 G C 0.203 175.093 174.900 -0.015 0.000 0.984 261 G CA 0.112 45.200 45.100 -0.020 0.000 0.633 261 G HN 0.391 nan 8.290 nan 0.000 0.525 262 V N 1.346 121.253 119.914 -0.012 0.000 2.572 262 V HA 0.469 4.588 4.120 -0.000 0.000 0.291 262 V C 0.742 176.832 176.094 -0.007 0.000 1.039 262 V CA -0.119 62.177 62.300 -0.007 0.000 1.055 262 V CB 1.569 33.390 31.823 -0.004 0.000 0.969 262 V HN 0.313 nan 8.190 nan 0.000 0.482 263 V N 6.822 126.734 119.914 -0.002 0.000 2.555 263 V HA 0.624 4.744 4.120 -0.000 0.000 0.302 263 V C -0.169 175.930 176.094 0.010 0.000 1.038 263 V CA -0.500 61.800 62.300 0.001 0.000 0.887 263 V CB 1.686 33.509 31.823 0.000 0.000 0.991 263 V HN 0.817 nan 8.190 nan 0.000 0.434 264 I N 1.092 121.670 120.570 0.014 0.000 2.934 264 I HA 0.934 5.104 4.170 -0.000 0.000 0.306 264 I C -0.716 175.420 176.117 0.031 0.000 1.110 264 I CA -0.426 60.889 61.300 0.024 0.000 1.019 264 I CB 2.721 40.735 38.000 0.024 0.000 1.227 264 I HN 0.588 nan 8.210 nan 0.000 0.434 265 T N 1.918 116.496 114.554 0.040 0.000 2.923 265 T HA 0.420 4.770 4.350 -0.000 0.000 0.311 265 T C -1.392 173.341 174.700 0.056 0.000 1.183 265 T CA -0.389 61.741 62.100 0.049 0.000 1.020 265 T CB 1.789 70.688 68.868 0.052 0.000 1.165 265 T HN 0.844 nan 8.240 nan 0.000 0.482 266 E N 4.388 124.623 120.200 0.058 0.000 2.795 266 E HA 0.282 4.632 4.350 -0.000 0.000 0.226 266 E C -2.538 174.109 176.600 0.078 0.000 1.088 266 E CA -1.897 54.542 56.400 0.065 0.000 0.812 266 E CB 1.352 31.077 29.700 0.041 0.000 1.328 266 E HN 0.447 nan 8.360 nan 0.000 0.410 267 P HA -0.007 nan 4.420 nan 0.000 0.268 267 P C -0.432 176.982 177.300 0.191 0.000 1.204 267 P CA -0.126 63.059 63.100 0.141 0.000 0.768 267 P CB 1.155 32.939 31.700 0.139 0.000 0.842 268 L N 2.887 124.182 121.223 0.120 0.000 2.307 268 L HA 0.507 4.847 4.340 -0.000 0.000 0.282 268 L C 1.168 178.070 176.870 0.054 0.000 1.051 268 L CA -0.356 54.514 54.840 0.050 0.000 0.804 268 L CB 1.472 43.537 42.059 0.009 0.000 1.197 268 L HN 0.416 nan 8.230 nan 0.000 0.431 269 A N 3.521 126.246 122.820 -0.158 0.000 1.911 269 A HA 0.582 4.902 4.320 -0.000 0.000 0.212 269 A C 0.814 178.373 177.584 -0.042 0.000 1.189 269 A CA 0.824 52.752 52.037 -0.181 0.000 0.639 269 A CB -0.221 18.385 19.000 -0.657 0.000 0.839 269 A HN 0.856 nan 8.150 nan 0.000 0.449 270 G N -2.770 106.011 108.800 -0.032 0.000 2.523 270 G HA2 0.496 4.456 3.960 -0.000 0.000 0.291 270 G HA3 0.496 4.456 3.960 -0.000 0.000 0.291 270 G C -1.305 173.626 174.900 0.051 0.000 1.450 270 G CA 0.041 45.153 45.100 0.020 0.000 0.790 270 G HN 0.194 nan 8.290 nan 0.000 0.496 271 T N 0.775 115.355 114.554 0.044 0.000 2.893 271 T HA 0.809 5.159 4.350 -0.000 0.000 0.293 271 T C -0.568 174.096 174.700 -0.060 0.000 1.027 271 T CA -0.790 61.302 62.100 -0.013 0.000 0.988 271 T CB 2.012 70.919 68.868 0.066 0.000 1.043 271 T HN 0.518 nan 8.240 nan 0.000 0.461 272 R N 0.596 121.023 120.500 -0.123 0.000 2.836 272 R HA 0.813 5.153 4.340 -0.000 0.000 0.269 272 R C -0.480 175.753 176.300 -0.112 0.000 1.010 272 R CA -0.942 55.105 56.100 -0.089 0.000 0.930 272 R CB 1.654 31.912 30.300 -0.071 0.000 1.218 272 R HN 0.777 nan 8.270 nan 0.000 0.473 273 A N 1.152 123.926 122.820 -0.077 0.000 2.406 273 A HA 0.486 4.806 4.320 -0.000 0.000 0.243 273 A C -0.579 176.961 177.584 -0.074 0.000 1.082 273 A CA 0.006 51.999 52.037 -0.073 0.000 0.786 273 A CB 0.330 19.297 19.000 -0.055 0.000 1.029 273 A HN 0.461 nan 8.150 nan 0.000 0.495 274 L N 0.025 121.208 121.223 -0.066 0.000 2.424 274 L HA 0.701 5.041 4.340 -0.000 0.000 0.258 274 L C 0.643 177.491 176.870 -0.038 0.000 0.995 274 L CA 1.115 55.922 54.840 -0.055 0.000 0.821 274 L CB 2.025 44.045 42.059 -0.064 0.000 1.383 274 L HN 1.720 nan 8.230 nan 0.000 0.410 275 G N 2.391 111.173 108.800 -0.029 0.000 2.131 275 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.223 275 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.223 275 G C 0.605 175.490 174.900 -0.025 0.000 0.990 275 G CA 0.378 45.466 45.100 -0.021 0.000 0.671 275 G HN 0.601 nan 8.290 nan 0.000 0.521 276 R N 0.262 120.745 120.500 -0.028 0.000 2.515 276 R HA 0.489 4.829 4.340 -0.000 0.000 0.294 276 R C 1.072 177.358 176.300 -0.023 0.000 1.021 276 R CA 0.497 56.580 56.100 -0.029 0.000 1.081 276 R CB 0.437 30.718 30.300 -0.033 0.000 1.263 276 R HN 1.445 nan 8.270 nan 0.000 0.557 277 G N 0.945 109.733 108.800 -0.020 0.000 2.674 277 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 277 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 277 G C -2.486 172.405 174.900 -0.015 0.000 1.195 277 G CA -1.251 43.839 45.100 -0.016 0.000 0.776 277 G HN -0.143 nan 8.290 nan 0.000 0.654 278 P HA -0.127 nan 4.420 nan 0.000 0.214 278 P C 2.405 179.697 177.300 -0.012 0.000 1.169 278 P CA 3.126 66.219 63.100 -0.012 0.000 0.908 278 P CB 0.077 31.772 31.700 -0.009 0.000 0.791 279 A N -0.647 122.166 122.820 -0.011 0.000 1.859 279 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 279 A C 2.266 179.842 177.584 -0.013 0.000 1.198 279 A CA 2.048 54.079 52.037 -0.011 0.000 0.629 279 A CB -1.765 17.230 19.000 -0.010 0.000 0.830 279 A HN 0.117 nan 8.150 nan 0.000 0.446 280 I N -0.389 120.172 120.570 -0.015 0.000 2.286 280 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 280 I C 1.805 177.910 176.117 -0.021 0.000 1.115 280 I CA 1.513 62.802 61.300 -0.018 0.000 1.392 280 I CB -0.569 37.419 38.000 -0.020 0.000 1.065 280 I HN 0.237 nan 8.210 nan 0.000 0.418 281 D N 0.503 120.890 120.400 -0.022 0.000 2.144 281 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 281 D C 2.213 178.498 176.300 -0.024 0.000 0.984 281 D CA 0.938 54.923 54.000 -0.026 0.000 0.834 281 D CB -0.214 40.571 40.800 -0.025 0.000 0.955 281 D HN 0.215 nan 8.370 nan 0.000 0.465 282 R N 0.010 120.499 120.500 -0.019 0.000 2.075 282 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 282 R C 1.880 178.170 176.300 -0.016 0.000 1.126 282 R CA 0.728 56.819 56.100 -0.016 0.000 0.963 282 R CB -0.174 30.119 30.300 -0.012 0.000 0.858 282 R HN 0.063 nan 8.270 nan 0.000 0.435 283 L N 0.719 121.933 121.223 -0.015 0.000 2.046 283 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 283 L C 2.523 179.382 176.870 -0.017 0.000 1.077 283 L CA 2.057 56.889 54.840 -0.014 0.000 0.747 283 L CB -0.910 41.142 42.059 -0.012 0.000 0.896 283 L HN 0.272 nan 8.230 nan 0.000 0.432 284 A N -0.824 121.983 122.820 -0.022 0.000 1.902 284 A HA -0.230 4.089 4.320 -0.000 0.000 0.217 284 A C 2.546 180.111 177.584 -0.031 0.000 1.181 284 A CA 1.713 53.733 52.037 -0.028 0.000 0.623 284 A CB -0.534 18.444 19.000 -0.036 0.000 0.818 284 A HN 0.352 nan 8.150 nan 0.000 0.443 285 R N -0.428 120.053 120.500 -0.031 0.000 2.081 285 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 285 R C 1.421 177.704 176.300 -0.027 0.000 1.131 285 R CA 1.706 57.787 56.100 -0.033 0.000 0.960 285 R CB -0.357 29.926 30.300 -0.029 0.000 0.856 285 R HN 0.481 nan 8.270 nan 0.000 0.436 286 D N 0.391 120.778 120.400 -0.020 0.000 2.144 286 D HA -0.178 4.462 4.640 -0.000 0.000 0.199 286 D C 1.433 177.724 176.300 -0.015 0.000 0.984 286 D CA 1.446 55.436 54.000 -0.015 0.000 0.834 286 D CB -0.267 40.527 40.800 -0.010 0.000 0.955 286 D HN 0.334 nan 8.370 nan 0.000 0.465 287 D N 0.119 120.509 120.400 -0.015 0.000 2.097 287 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 287 D C 2.093 178.383 176.300 -0.016 0.000 0.989 287 D CA 0.446 54.438 54.000 -0.012 0.000 0.827 287 D CB -0.172 40.621 40.800 -0.011 0.000 0.966 287 D HN -0.013 nan 8.370 nan 0.000 0.456 288 L N 0.925 122.133 121.223 -0.026 0.000 2.012 288 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 288 L C 1.935 178.779 176.870 -0.045 0.000 1.073 288 L CA 1.836 56.654 54.840 -0.037 0.000 0.748 288 L CB -0.578 41.453 42.059 -0.047 0.000 0.891 288 L HN 0.131 nan 8.230 nan 0.000 0.431 289 E N -1.719 118.456 120.200 -0.041 0.000 2.482 289 E HA -0.047 4.303 4.350 -0.000 0.000 0.196 289 E C 1.487 178.070 176.600 -0.028 0.000 1.047 289 E CA 0.817 57.190 56.400 -0.045 0.000 0.869 289 E CB 0.070 29.747 29.700 -0.039 0.000 0.836 289 E HN 0.620 nan 8.360 nan 0.000 0.520 290 S N -0.494 115.196 115.700 -0.016 0.000 2.733 290 S HA 0.036 4.506 4.470 -0.000 0.000 0.247 290 S C 0.439 175.042 174.600 0.005 0.000 1.043 290 S CA -0.597 57.601 58.200 -0.003 0.000 1.066 290 S CB 0.062 63.262 63.200 0.001 0.000 1.045 290 S HN 0.000 nan 8.310 nan 0.000 0.586 291 N N 2.647 121.349 118.700 0.002 0.000 2.429 291 N HA 0.160 4.900 4.740 -0.000 0.000 0.271 291 N C 0.710 176.234 175.510 0.024 0.000 1.272 291 N CA 0.345 53.403 53.050 0.012 0.000 0.921 291 N CB 0.819 39.311 38.487 0.010 0.000 1.128 291 N HN 0.291 nan 8.380 nan 0.000 0.481 292 S N 3.952 119.670 115.700 0.029 0.000 2.365 292 S HA -0.213 4.257 4.470 -0.000 0.000 0.225 292 S C 1.699 176.330 174.600 0.053 0.000 1.039 292 S CA 1.322 59.546 58.200 0.040 0.000 1.033 292 S CB -0.074 63.149 63.200 0.038 0.000 0.887 292 S HN 0.736 nan 8.310 nan 0.000 0.447 293 K N 1.085 121.515 120.400 0.051 0.000 2.032 293 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 293 K C 2.097 178.743 176.600 0.077 0.000 1.048 293 K CA 1.732 58.058 56.287 0.065 0.000 0.927 293 K CB -0.187 32.346 32.500 0.056 0.000 0.712 293 K HN 0.296 nan 8.250 nan 0.000 0.441 294 E N 0.389 120.625 120.200 0.060 0.000 2.106 294 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 294 E C 1.959 178.607 176.600 0.081 0.000 0.984 294 E CA 1.290 57.726 56.400 0.061 0.000 0.806 294 E CB 0.007 29.722 29.700 0.025 0.000 0.750 294 E HN 0.358 nan 8.360 nan 0.000 0.458 295 I N -0.182 120.429 120.570 0.068 0.000 2.179 295 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 295 I C 2.155 178.347 176.117 0.126 0.000 1.088 295 I CA 0.707 62.060 61.300 0.088 0.000 1.357 295 I CB -0.180 37.857 38.000 0.062 0.000 1.051 295 I HN 0.048 nan 8.210 nan 0.000 0.409 296 V N 0.549 120.526 119.914 0.105 0.000 2.295 296 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 296 V C 2.500 178.654 176.094 0.101 0.000 1.049 296 V CA 1.695 64.055 62.300 0.100 0.000 1.024 296 V CB -0.648 31.232 31.823 0.095 0.000 0.648 296 V HN 0.384 nan 8.190 nan 0.000 0.447 297 E N -0.321 119.954 120.200 0.126 0.000 2.110 297 E HA -0.237 4.112 4.350 -0.000 0.000 0.193 297 E C 2.152 178.835 176.600 0.139 0.000 0.988 297 E CA 1.636 58.115 56.400 0.132 0.000 0.804 297 E CB -0.453 29.340 29.700 0.155 0.000 0.745 297 E HN 0.782 nan 8.360 nan 0.000 0.458 298 H N 0.576 119.681 119.070 0.058 0.000 2.395 298 H HA 0.087 4.643 4.556 -0.000 0.000 0.299 298 H C 1.823 177.208 175.328 0.095 0.000 1.070 298 H CA 1.690 57.773 56.048 0.057 0.000 1.356 298 H CB -0.085 29.689 29.762 0.019 0.000 1.401 298 H HN 0.120 nan 8.280 nan 0.000 0.524 299 A N 0.676 123.540 122.820 0.074 0.000 1.902 299 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 299 A C 2.542 180.119 177.584 -0.011 0.000 1.181 299 A CA 1.651 53.726 52.037 0.064 0.000 0.623 299 A CB -0.825 18.250 19.000 0.125 0.000 0.818 299 A HN 0.500 nan 8.150 nan 0.000 0.443 300 I N -0.846 119.716 120.570 -0.012 0.000 2.226 300 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 300 I C 2.828 178.918 176.117 -0.044 0.000 1.100 300 I CA 1.494 62.766 61.300 -0.047 0.000 1.374 300 I CB -0.261 37.682 38.000 -0.095 0.000 1.057 300 I HN 0.413 nan 8.210 nan 0.000 0.413 301 S N 0.432 116.109 115.700 -0.037 0.000 2.368 301 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 301 S C 2.108 176.668 174.600 -0.066 0.000 1.029 301 S CA 1.235 59.418 58.200 -0.028 0.000 0.988 301 S CB -0.194 63.020 63.200 0.022 0.000 0.838 301 S HN 0.219 nan 8.310 nan 0.000 0.462 302 V N 2.185 122.006 119.914 -0.155 0.000 2.343 302 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 302 V C 2.663 178.725 176.094 -0.052 0.000 1.051 302 V CA 2.218 64.448 62.300 -0.117 0.000 1.036 302 V CB -0.757 30.993 31.823 -0.123 0.000 0.654 302 V HN 0.485 nan 8.190 nan 0.000 0.451 303 R N -0.192 120.278 120.500 -0.049 0.000 2.096 303 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 303 R C 2.605 178.893 176.300 -0.020 0.000 1.127 303 R CA 1.801 57.879 56.100 -0.036 0.000 0.968 303 R CB -0.387 29.892 30.300 -0.036 0.000 0.861 303 R HN 0.487 nan 8.270 nan 0.000 0.440 304 S N -0.436 115.254 115.700 -0.016 0.000 2.355 304 S HA -0.097 4.373 4.470 -0.000 0.000 0.222 304 S C 1.899 176.508 174.600 0.015 0.000 1.031 304 S CA 1.717 59.919 58.200 0.004 0.000 0.993 304 S CB -0.162 63.043 63.200 0.009 0.000 0.859 304 S HN 0.444 nan 8.310 nan 0.000 0.453 305 S N 1.486 117.192 115.700 0.011 0.000 2.370 305 S HA 0.004 4.474 4.470 -0.000 0.000 0.226 305 S C 1.781 176.391 174.600 0.017 0.000 1.033 305 S CA 1.366 59.579 58.200 0.021 0.000 1.011 305 S CB -0.511 62.703 63.200 0.022 0.000 0.852 305 S HN 0.455 nan 8.310 nan 0.000 0.457 306 L N 1.032 122.257 121.223 0.004 0.000 2.046 306 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 306 L C 2.574 179.446 176.870 0.003 0.000 1.077 306 L CA 1.330 56.169 54.840 -0.001 0.000 0.747 306 L CB -0.509 41.541 42.059 -0.016 0.000 0.896 306 L HN 0.315 nan 8.230 nan 0.000 0.432 307 E N -0.102 120.101 120.200 0.005 0.000 2.058 307 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 307 E C 2.124 178.736 176.600 0.020 0.000 0.997 307 E CA 1.491 57.898 56.400 0.011 0.000 0.801 307 E CB 0.002 29.711 29.700 0.015 0.000 0.746 307 E HN 0.490 nan 8.360 nan 0.000 0.450 308 E N 0.501 120.718 120.200 0.028 0.000 2.051 308 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 308 E C 2.239 178.854 176.600 0.025 0.000 0.991 308 E CA 0.803 57.223 56.400 0.034 0.000 0.799 308 E CB -0.139 29.590 29.700 0.048 0.000 0.748 308 E HN 0.268 nan 8.360 nan 0.000 0.449 309 I N 1.155 121.739 120.570 0.023 0.000 2.394 309 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 309 I C 1.847 177.970 176.117 0.010 0.000 1.136 309 I CA 1.056 62.367 61.300 0.018 0.000 1.425 309 I CB 0.029 38.040 38.000 0.018 0.000 1.079 309 I HN 0.095 nan 8.210 nan 0.000 0.425 310 T N 0.380 114.939 114.554 0.008 0.000 2.881 310 T HA -0.158 4.192 4.350 -0.000 0.000 0.270 310 T C 1.342 176.044 174.700 0.004 0.000 1.068 310 T CA 1.294 63.396 62.100 0.004 0.000 1.131 310 T CB -0.289 68.580 68.868 0.002 0.000 0.871 310 T HN 0.386 nan 8.240 nan 0.000 0.479 311 D N 1.223 121.627 120.400 0.007 0.000 2.310 311 D HA -0.018 4.622 4.640 -0.000 0.000 0.212 311 D C 1.461 177.761 176.300 0.001 0.000 0.965 311 D CA 0.738 54.741 54.000 0.005 0.000 0.879 311 D CB 0.016 40.820 40.800 0.008 0.000 0.921 311 D HN 0.579 nan 8.370 nan 0.000 0.510 312 I N -3.584 116.987 120.570 0.001 0.000 4.147 312 I HA 0.413 4.583 4.170 -0.000 0.000 0.329 312 I C 0.330 176.445 176.117 -0.004 0.000 1.424 312 I CA -0.815 60.483 61.300 -0.003 0.000 1.127 312 I CB 0.459 38.457 38.000 -0.003 0.000 1.128 312 I HN -0.239 nan 8.210 nan 0.000 0.417 313 A N 0.596 123.414 122.820 -0.002 0.000 2.299 313 A HA 0.695 5.015 4.320 -0.000 0.000 0.332 313 A C -0.168 177.414 177.584 -0.005 0.000 1.131 313 A CA -0.549 51.486 52.037 -0.003 0.000 0.844 313 A CB 0.572 19.571 19.000 -0.001 0.000 1.251 313 A HN 0.361 nan 8.150 nan 0.000 0.486 314 E N 1.325 121.522 120.200 -0.006 0.000 2.376 314 E HA 0.200 4.550 4.350 -0.000 0.000 0.266 314 E C -2.312 174.285 176.600 -0.005 0.000 1.009 314 E CA -1.382 55.014 56.400 -0.006 0.000 0.902 314 E CB -0.072 29.625 29.700 -0.006 0.000 0.972 314 E HN 0.304 nan 8.360 nan 0.000 0.439 315 P HA -0.125 nan 4.420 nan 0.000 0.261 315 P C 0.631 177.928 177.300 -0.006 0.000 1.165 315 P CA 1.167 64.264 63.100 -0.005 0.000 0.759 315 P CB 0.319 32.016 31.700 -0.005 0.000 0.772 316 G N 2.680 111.477 108.800 -0.006 0.000 2.168 316 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.263 316 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.263 316 G C 1.071 175.967 174.900 -0.007 0.000 0.977 316 G CA 0.648 45.744 45.100 -0.007 0.000 0.659 316 G HN 0.619 nan 8.290 nan 0.000 0.533 317 S N -0.837 114.860 115.700 -0.005 0.000 2.503 317 S HA 0.635 5.104 4.470 -0.000 0.000 0.217 317 S C 1.420 176.018 174.600 -0.003 0.000 0.999 317 S CA 1.223 59.421 58.200 -0.004 0.000 0.914 317 S CB 0.324 63.522 63.200 -0.003 0.000 0.782 317 S HN 1.852 nan 8.310 nan 0.000 0.520 318 A N 1.418 124.236 122.820 -0.004 0.000 2.440 318 A HA 0.757 5.077 4.320 -0.000 0.000 0.251 318 A C 0.295 177.875 177.584 -0.007 0.000 1.089 318 A CA 0.132 52.168 52.037 -0.003 0.000 0.779 318 A CB -0.022 18.976 19.000 -0.003 0.000 1.022 318 A HN 1.229 nan 8.150 nan 0.000 0.492 319 A N 1.674 124.492 122.820 -0.003 0.000 2.608 319 A HA 0.606 4.926 4.320 -0.000 0.000 0.292 319 A C -1.100 176.487 177.584 0.005 0.000 1.066 319 A CA -0.455 51.578 52.037 -0.007 0.000 0.676 319 A CB 0.878 19.875 19.000 -0.004 0.000 1.277 319 A HN 1.244 nan 8.150 nan 0.000 0.413 320 V N 3.079 122.993 119.914 -0.000 0.000 2.383 320 V HA 0.236 4.356 4.120 -0.000 0.000 0.275 320 V C 0.665 176.793 176.094 0.057 0.000 1.036 320 V CA -0.377 61.945 62.300 0.037 0.000 0.889 320 V CB 1.004 32.839 31.823 0.020 0.000 0.985 320 V HN 0.783 nan 8.190 nan 0.000 0.459 321 I N 3.268 123.883 120.570 0.075 0.000 2.494 321 I HA 0.075 4.245 4.170 -0.000 0.000 0.250 321 I C 0.602 176.776 176.117 0.094 0.000 1.112 321 I CA 0.995 62.337 61.300 0.070 0.000 1.438 321 I CB -0.482 37.551 38.000 0.054 0.000 1.111 321 I HN 0.770 nan 8.210 nan 0.000 0.431 322 D N -0.027 120.448 120.400 0.124 0.000 2.552 322 D HA 0.132 4.772 4.640 -0.000 0.000 0.285 322 D C -0.300 176.110 176.300 0.182 0.000 1.206 322 D CA -0.489 53.588 54.000 0.128 0.000 0.826 322 D CB -0.363 40.485 40.800 0.080 0.000 1.179 322 D HN -0.130 nan 8.370 nan 0.000 0.508 323 F N 2.543 122.528 119.950 0.059 0.000 2.602 323 F HA 0.086 4.613 4.527 -0.000 0.000 0.385 323 F C 1.113 176.970 175.800 0.096 0.000 1.063 323 F CA -0.153 57.898 58.000 0.085 0.000 1.233 323 F CB 0.212 39.248 39.000 0.060 0.000 1.067 323 F HN 0.362 nan 8.300 nan 0.000 0.564 324 M N 4.455 123.775 119.600 -0.467 0.000 2.516 324 M HA -0.221 4.259 4.480 -0.000 0.000 0.183 324 M C -0.173 175.999 176.300 -0.213 0.000 0.928 324 M CA 1.009 56.032 55.300 -0.461 0.000 0.573 324 M CB -2.194 29.949 32.600 -0.762 0.000 1.126 324 M HN 0.689 nan 8.290 nan 0.000 0.859 325 T N -2.346 112.143 114.554 -0.108 0.000 2.918 325 T HA 0.765 5.115 4.350 -0.000 0.000 0.286 325 T C 0.080 174.751 174.700 -0.048 0.000 1.026 325 T CA -1.071 60.999 62.100 -0.051 0.000 1.031 325 T CB 2.610 71.476 68.868 -0.002 0.000 1.046 325 T HN 0.152 nan 8.240 nan 0.000 0.479 326 V N 2.796 122.692 119.914 -0.030 0.000 2.439 326 V HA 0.565 4.685 4.120 -0.000 0.000 0.282 326 V C 0.084 176.183 176.094 0.008 0.000 1.039 326 V CA -0.892 61.397 62.300 -0.017 0.000 0.913 326 V CB 1.146 32.953 31.823 -0.026 0.000 0.983 326 V HN 0.774 nan 8.190 nan 0.000 0.460 327 R N 3.197 123.719 120.500 0.038 0.000 2.439 327 R HA 0.447 4.787 4.340 -0.000 0.000 0.310 327 R C -0.535 175.804 176.300 0.065 0.000 0.955 327 R CA -0.487 55.647 56.100 0.057 0.000 0.853 327 R CB 1.918 32.266 30.300 0.080 0.000 1.171 327 R HN 0.737 nan 8.270 nan 0.000 0.449 328 E N 2.882 123.102 120.200 0.032 0.000 2.229 328 E HA 0.250 4.600 4.350 -0.000 0.000 0.283 328 E C 0.094 176.713 176.600 0.032 0.000 1.030 328 E CA -0.204 56.203 56.400 0.010 0.000 0.836 328 E CB 1.396 31.094 29.700 -0.004 0.000 1.068 328 E HN 0.204 nan 8.360 nan 0.000 0.401 329 R N 2.389 122.907 120.500 0.031 0.000 2.772 329 R HA 0.243 4.583 4.340 -0.000 0.000 0.358 329 R C 0.442 176.748 176.300 0.010 0.000 1.143 329 R CA 0.003 56.134 56.100 0.051 0.000 1.153 329 R CB 0.997 31.390 30.300 0.155 0.000 1.329 329 R HN 0.882 nan 8.270 nan 0.000 0.615 330 G N 0.957 109.752 108.800 -0.009 0.000 3.076 330 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.256 330 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.256 330 G C 0.698 175.591 174.900 -0.012 0.000 1.589 330 G CA 0.258 45.349 45.100 -0.015 0.000 1.044 330 G HN 0.351 nan 8.290 nan 0.000 0.563 331 S N 0.516 116.212 115.700 -0.008 0.000 2.593 331 S HA 0.513 4.982 4.470 -0.000 0.000 0.217 331 S C 0.820 175.394 174.600 -0.043 0.000 0.966 331 S CA 1.365 59.562 58.200 -0.005 0.000 0.914 331 S CB -0.204 63.023 63.200 0.045 0.000 0.776 331 S HN 2.183 nan 8.310 nan 0.000 0.523 332 V N -0.764 119.102 119.914 -0.079 0.000 3.114 332 V HA 0.758 4.878 4.120 -0.000 0.000 0.308 332 V C -1.445 174.479 176.094 -0.284 0.000 1.168 332 V CA -1.202 60.986 62.300 -0.187 0.000 1.015 332 V CB 1.734 33.422 31.823 -0.225 0.000 1.050 332 V HN 0.472 nan 8.190 nan 0.000 0.433 333 Q N 0.911 120.480 119.800 -0.385 0.000 2.372 333 Q HA 0.760 5.100 4.340 -0.000 0.000 0.273 333 Q C -1.670 174.057 176.000 -0.454 0.000 1.078 333 Q CA -0.792 54.824 55.803 -0.313 0.000 0.806 333 Q CB 2.589 31.244 28.738 -0.139 0.000 1.332 333 Q HN 0.953 nan 8.270 nan 0.000 0.435 334 H N 0.580 119.634 119.070 -0.027 0.000 2.690 334 H HA 0.600 5.155 4.556 -0.000 0.000 0.368 334 H C -1.452 173.835 175.328 -0.069 0.000 1.150 334 H CA -0.892 55.132 56.048 -0.040 0.000 1.174 334 H CB 1.919 31.665 29.762 -0.026 0.000 1.684 334 H HN 0.583 nan 8.280 nan 0.000 0.538 335 L N 1.507 122.741 121.223 0.018 0.000 2.307 335 L HA 0.798 5.138 4.340 -0.000 0.000 0.284 335 L C 0.156 176.906 176.870 -0.199 0.000 1.023 335 L CA 0.362 55.137 54.840 -0.107 0.000 0.810 335 L CB 0.897 42.858 42.059 -0.164 0.000 1.231 335 L HN 0.896 nan 8.230 nan 0.000 0.423 336 G N 2.034 110.704 108.800 -0.217 0.000 2.554 336 G HA2 0.655 4.614 3.960 -0.000 0.000 0.306 336 G HA3 0.655 4.614 3.960 -0.000 0.000 0.306 336 G C -1.794 173.110 174.900 0.006 0.000 1.320 336 G CA -0.408 44.572 45.100 -0.199 0.000 0.800 336 G HN 0.686 nan 8.290 nan 0.000 0.481 337 S N -1.546 114.280 115.700 0.210 0.000 2.618 337 S HA 0.834 5.304 4.470 -0.000 0.000 0.277 337 S C -1.015 173.683 174.600 0.165 0.000 1.138 337 S CA -0.553 57.789 58.200 0.237 0.000 0.844 337 S CB 2.119 65.555 63.200 0.392 0.000 1.127 337 S HN 0.717 nan 8.310 nan 0.000 0.474 338 T N 1.730 116.367 114.554 0.139 0.000 2.812 338 T HA 0.619 4.969 4.350 -0.000 0.000 0.282 338 T C -0.899 173.853 174.700 0.087 0.000 0.990 338 T CA -0.282 61.875 62.100 0.095 0.000 0.960 338 T CB 0.579 69.490 68.868 0.071 0.000 0.948 338 T HN 0.311 nan 8.240 nan 0.000 0.438 339 I N 2.917 123.528 120.570 0.067 0.000 2.377 339 I HA 0.734 4.904 4.170 -0.000 0.000 0.293 339 I C 0.596 176.735 176.117 0.037 0.000 0.987 339 I CA -0.331 60.998 61.300 0.049 0.000 1.185 339 I CB 1.331 39.356 38.000 0.041 0.000 1.341 339 I HN 0.738 nan 8.210 nan 0.000 0.455 340 R N 3.913 124.429 120.500 0.027 0.000 2.795 340 R HA 1.028 5.368 4.340 -0.000 0.000 0.275 340 R C -1.119 175.189 176.300 0.012 0.000 0.981 340 R CA -0.196 55.916 56.100 0.020 0.000 0.917 340 R CB 1.575 31.887 30.300 0.020 0.000 1.202 340 R HN 1.095 nan 8.270 nan 0.000 0.469 341 A N 0.769 123.594 122.820 0.009 0.000 2.515 341 A HA 0.855 5.175 4.320 -0.000 0.000 0.299 341 A C -1.302 176.282 177.584 0.001 0.000 1.179 341 A CA -0.806 51.233 52.037 0.004 0.000 0.656 341 A CB 1.244 20.246 19.000 0.004 0.000 1.306 341 A HN 0.654 nan 8.150 nan 0.000 0.459 342 R N -0.080 120.419 120.500 -0.002 0.000 2.437 342 R HA 0.497 4.837 4.340 -0.000 0.000 0.310 342 R C -1.159 175.137 176.300 -0.007 0.000 0.955 342 R CA -0.846 55.251 56.100 -0.005 0.000 0.851 342 R CB 1.767 32.063 30.300 -0.006 0.000 1.161 342 R HN 0.598 nan 8.270 nan 0.000 0.446 343 L N 2.683 123.900 121.223 -0.010 0.000 2.499 343 L HA -0.006 4.334 4.340 -0.000 0.000 0.273 343 L C -0.084 176.778 176.870 -0.013 0.000 1.195 343 L CA 0.563 55.395 54.840 -0.013 0.000 0.882 343 L CB 0.222 42.270 42.059 -0.019 0.000 1.133 343 L HN 0.503 nan 8.230 nan 0.000 0.483 344 D N 6.459 126.852 120.400 -0.012 0.000 2.382 344 D HA 0.142 4.782 4.640 -0.000 0.000 0.245 344 D C -1.485 174.806 176.300 -0.015 0.000 1.120 344 D CA -1.007 52.986 54.000 -0.012 0.000 0.890 344 D CB 1.125 41.919 40.800 -0.010 0.000 1.201 344 D HN 0.442 nan 8.370 nan 0.000 0.433 345 P HA -0.161 nan 4.420 nan 0.000 0.221 345 P C 0.688 177.978 177.300 -0.017 0.000 1.145 345 P CA 0.903 63.993 63.100 -0.016 0.000 0.795 345 P CB 0.020 31.712 31.700 -0.014 0.000 0.775 346 S N -2.612 113.079 115.700 -0.015 0.000 2.593 346 S HA 0.114 4.584 4.470 -0.000 0.000 0.217 346 S C 1.138 175.728 174.600 -0.018 0.000 0.966 346 S CA -0.302 57.889 58.200 -0.016 0.000 0.914 346 S CB -0.448 62.744 63.200 -0.013 0.000 0.776 346 S HN 0.049 nan 8.310 nan 0.000 0.523 347 S N 1.222 116.911 115.700 -0.019 0.000 2.768 347 S HA 0.653 5.123 4.470 -0.000 0.000 0.300 347 S C -1.204 173.379 174.600 -0.027 0.000 1.122 347 S CA -0.382 57.805 58.200 -0.021 0.000 0.995 347 S CB 1.226 64.415 63.200 -0.018 0.000 1.195 347 S HN 0.715 nan 8.310 nan 0.000 0.547 348 D N -1.717 118.664 120.400 -0.032 0.000 2.615 348 D HA 0.323 4.963 4.640 -0.000 0.000 0.267 348 D C 0.659 176.931 176.300 -0.046 0.000 1.236 348 D CA -0.857 53.118 54.000 -0.041 0.000 0.839 348 D CB 0.554 41.326 40.800 -0.046 0.000 1.380 348 D HN 0.493 nan 8.370 nan 0.000 0.433 349 R N -0.337 120.127 120.500 -0.060 0.000 2.105 349 R HA -0.145 4.194 4.340 -0.000 0.000 0.239 349 R C 1.398 177.655 176.300 -0.072 0.000 1.135 349 R CA 1.162 57.221 56.100 -0.068 0.000 0.967 349 R CB -0.577 29.668 30.300 -0.091 0.000 0.861 349 R HN 0.388 nan 8.270 nan 0.000 0.442 350 M N 1.273 120.827 119.600 -0.077 0.000 2.175 350 M HA 0.082 4.561 4.480 -0.000 0.000 0.264 350 M C 2.265 178.548 176.300 -0.028 0.000 1.063 350 M CA 1.636 56.894 55.300 -0.070 0.000 1.119 350 M CB -0.276 32.279 32.600 -0.074 0.000 1.377 350 M HN 0.375 nan 8.290 nan 0.000 0.415 351 A N -0.717 122.086 122.820 -0.030 0.000 1.969 351 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 351 A C 2.310 179.891 177.584 -0.006 0.000 1.169 351 A CA 1.747 53.773 52.037 -0.018 0.000 0.635 351 A CB -1.119 17.867 19.000 -0.023 0.000 0.810 351 A HN 0.514 nan 8.150 nan 0.000 0.445 352 A N -0.379 122.434 122.820 -0.012 0.000 1.873 352 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 352 A C 2.113 179.709 177.584 0.019 0.000 1.186 352 A CA 1.677 53.714 52.037 -0.001 0.000 0.616 352 A CB -0.618 18.375 19.000 -0.013 0.000 0.823 352 A HN 0.649 nan 8.150 nan 0.000 0.442 353 L N 0.245 121.470 121.223 0.004 0.000 2.017 353 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 353 L C 2.148 179.085 176.870 0.112 0.000 1.073 353 L CA 2.430 57.282 54.840 0.021 0.000 0.745 353 L CB -0.760 41.243 42.059 -0.093 0.000 0.894 353 L HN 0.522 nan 8.230 nan 0.000 0.432 354 E N -0.635 119.629 120.200 0.107 0.000 2.209 354 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 354 E C 2.039 178.685 176.600 0.076 0.000 0.993 354 E CA 1.002 57.474 56.400 0.120 0.000 0.819 354 E CB -0.222 29.490 29.700 0.020 0.000 0.745 354 E HN 0.669 nan 8.360 nan 0.000 0.477 355 A N 0.379 123.232 122.820 0.056 0.000 2.067 355 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 355 A C 1.840 179.468 177.584 0.074 0.000 1.156 355 A CA 0.648 52.709 52.037 0.041 0.000 0.683 355 A CB 0.043 19.059 19.000 0.026 0.000 0.808 355 A HN 0.128 nan 8.150 nan 0.000 0.455 356 L N -2.122 119.169 121.223 0.113 0.000 2.808 356 L HA 0.390 4.730 4.340 -0.000 0.000 0.246 356 L C -0.155 176.827 176.870 0.186 0.000 1.153 356 L CA -0.206 54.709 54.840 0.124 0.000 0.956 356 L CB 0.330 42.450 42.059 0.103 0.000 1.270 356 L HN 0.348 nan 8.230 nan 0.000 0.528 357 F N 2.644 122.623 119.950 0.048 0.000 2.495 357 F HA 0.594 5.121 4.527 -0.000 0.000 0.327 357 F C -2.314 173.512 175.800 0.043 0.000 1.103 357 F CA -2.382 55.656 58.000 0.064 0.000 0.949 357 F CB 1.966 41.028 39.000 0.102 0.000 1.142 357 F HN -0.249 nan 8.300 nan 0.000 0.457 358 P HA 0.281 nan 4.420 nan 0.000 0.276 358 P C -1.268 175.878 177.300 -0.255 0.000 1.252 358 P CA -0.378 62.275 63.100 -0.745 0.000 0.802 358 P CB 1.148 32.484 31.700 -0.606 0.000 1.035 359 A N 1.448 124.128 122.820 -0.233 0.000 2.386 359 A HA 0.160 4.480 4.320 -0.000 0.000 0.248 359 A C 1.664 179.240 177.584 -0.014 0.000 1.082 359 A CA -0.399 51.603 52.037 -0.059 0.000 0.789 359 A CB -0.382 18.598 19.000 -0.033 0.000 1.025 359 A HN 0.362 nan 8.150 nan 0.000 0.490 360 V N 1.646 121.574 119.914 0.023 0.000 2.392 360 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 360 V C 2.778 178.898 176.094 0.044 0.000 1.059 360 V CA 2.685 65.009 62.300 0.040 0.000 1.051 360 V CB -1.245 30.609 31.823 0.052 0.000 0.658 360 V HN 1.126 nan 8.190 nan 0.000 0.455 361 T N -1.810 112.769 114.554 0.041 0.000 3.025 361 T HA -0.004 4.346 4.350 -0.000 0.000 0.270 361 T C 1.417 176.125 174.700 0.015 0.000 1.126 361 T CA 1.285 63.410 62.100 0.042 0.000 1.105 361 T CB -0.145 68.749 68.868 0.043 0.000 0.884 361 T HN 0.491 nan 8.240 nan 0.000 0.522 362 A N 0.503 123.321 122.820 -0.004 0.000 2.324 362 A HA 0.532 4.852 4.320 -0.000 0.000 0.220 362 A C 2.142 179.747 177.584 0.036 0.000 1.209 362 A CA 0.539 52.555 52.037 -0.036 0.000 0.918 362 A CB 0.265 19.230 19.000 -0.058 0.000 0.959 362 A HN 0.600 nan 8.150 nan 0.000 0.507 363 S N -1.889 113.852 115.700 0.069 0.000 3.414 363 S HA 0.673 5.143 4.470 -0.000 0.000 0.193 363 S C 0.895 175.504 174.600 0.014 0.000 0.825 363 S CA 0.746 58.998 58.200 0.086 0.000 0.837 363 S CB 0.132 63.395 63.200 0.104 0.000 0.940 363 S HN 1.758 nan 8.310 nan 0.000 0.639 364 G N 0.562 109.371 108.800 0.014 0.000 2.345 364 G HA2 0.390 4.350 3.960 -0.000 0.000 0.285 364 G HA3 0.390 4.350 3.960 -0.000 0.000 0.285 364 G C -2.277 172.640 174.900 0.029 0.000 1.297 364 G CA -0.553 44.559 45.100 0.021 0.000 0.875 364 G HN 0.487 nan 8.290 nan 0.000 0.506 365 I N 1.277 121.893 120.570 0.077 0.000 2.512 365 I HA 0.368 4.538 4.170 -0.000 0.000 0.287 365 I C -2.570 173.628 176.117 0.136 0.000 1.069 365 I CA -1.939 59.409 61.300 0.079 0.000 1.056 365 I CB 1.912 39.960 38.000 0.080 0.000 1.229 365 I HN 0.147 nan 8.210 nan 0.000 0.429 366 P HA 0.204 nan 4.420 nan 0.000 0.272 366 P C 0.785 178.037 177.300 -0.080 0.000 1.223 366 P CA -0.297 62.802 63.100 -0.002 0.000 0.784 366 P CB 1.314 33.011 31.700 -0.005 0.000 0.923 367 K N 2.131 122.466 120.400 -0.108 0.000 2.032 367 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 367 K C 1.855 178.154 176.600 -0.502 0.000 1.048 367 K CA 1.906 58.079 56.287 -0.189 0.000 0.927 367 K CB -0.674 31.806 32.500 -0.034 0.000 0.712 367 K HN 0.473 nan 8.250 nan 0.000 0.441 368 A N 0.834 123.171 122.820 -0.804 0.000 1.908 368 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 368 A C 2.284 179.619 177.584 -0.416 0.000 1.181 368 A CA 2.014 53.453 52.037 -0.997 0.000 0.627 368 A CB -0.797 17.786 19.000 -0.695 0.000 0.818 368 A HN 0.475 nan 8.150 nan 0.000 0.445 369 A N -0.616 122.047 122.820 -0.262 0.000 1.898 369 A HA 0.179 4.498 4.320 -0.000 0.000 0.216 369 A C 2.401 179.770 177.584 -0.359 0.000 1.181 369 A CA 1.812 53.737 52.037 -0.187 0.000 0.620 369 A CB -1.315 17.663 19.000 -0.037 0.000 0.819 369 A HN 0.703 nan 8.150 nan 0.000 0.442 370 G N -0.446 108.145 108.800 -0.349 0.000 2.421 370 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.216 370 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.216 370 G C 1.508 176.271 174.900 -0.228 0.000 1.171 370 G CA 1.245 46.130 45.100 -0.358 0.000 0.775 370 G HN 0.303 nan 8.290 nan 0.000 0.543 371 V N 0.778 120.592 119.914 -0.167 0.000 2.343 371 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 371 V C 2.755 178.780 176.094 -0.116 0.000 1.051 371 V CA 2.079 64.327 62.300 -0.086 0.000 1.036 371 V CB -0.259 31.515 31.823 -0.081 0.000 0.654 371 V HN 0.386 nan 8.190 nan 0.000 0.451 372 E N 0.659 120.835 120.200 -0.040 0.000 2.077 372 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 372 E C 2.264 178.923 176.600 0.098 0.000 0.989 372 E CA 1.731 58.213 56.400 0.137 0.000 0.800 372 E CB -0.215 29.531 29.700 0.077 0.000 0.746 372 E HN 0.522 nan 8.360 nan 0.000 0.452 373 A N 1.018 123.790 122.820 -0.080 0.000 1.933 373 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 373 A C 2.401 179.975 177.584 -0.016 0.000 1.175 373 A CA 1.148 53.141 52.037 -0.073 0.000 0.628 373 A CB -0.620 18.186 19.000 -0.323 0.000 0.814 373 A HN 0.309 nan 8.150 nan 0.000 0.444 374 I N -1.600 118.925 120.570 -0.074 0.000 2.335 374 I HA -0.254 3.915 4.170 -0.000 0.000 0.251 374 I C 2.055 178.171 176.117 -0.003 0.000 1.129 374 I CA 1.124 62.377 61.300 -0.079 0.000 1.402 374 I CB -0.316 37.588 38.000 -0.160 0.000 1.069 374 I HN 0.279 nan 8.210 nan 0.000 0.424 375 F N 0.999 120.996 119.950 0.079 0.000 2.216 375 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 375 F C 2.545 178.377 175.800 0.055 0.000 1.085 375 F CA 1.423 59.472 58.000 0.082 0.000 1.326 375 F CB -0.456 38.591 39.000 0.078 0.000 1.027 375 F HN -0.026 nan 8.300 nan 0.000 0.497 376 R N -0.768 119.870 120.500 0.230 0.000 2.146 376 R HA 0.177 4.517 4.340 -0.000 0.000 0.206 376 R C 1.547 177.905 176.300 0.098 0.000 1.049 376 R CA 0.639 56.825 56.100 0.143 0.000 1.029 376 R CB -0.111 30.262 30.300 0.120 0.000 0.949 376 R HN 0.253 nan 8.270 nan 0.000 0.471 377 L N 0.025 121.297 121.223 0.081 0.000 2.640 377 L HA 0.270 4.610 4.340 -0.000 0.000 0.230 377 L C -0.356 176.545 176.870 0.052 0.000 1.123 377 L CA -0.093 54.781 54.840 0.056 0.000 0.900 377 L CB 0.235 42.323 42.059 0.048 0.000 1.146 377 L HN -0.008 nan 8.230 nan 0.000 0.484 378 D N 0.077 120.511 120.400 0.056 0.000 2.547 378 D HA 0.382 5.022 4.640 -0.000 0.000 0.231 378 D C -0.114 176.218 176.300 0.054 0.000 1.099 378 D CA -0.132 53.898 54.000 0.050 0.000 0.901 378 D CB 1.631 42.438 40.800 0.013 0.000 1.478 378 D HN 0.033 nan 8.370 nan 0.000 0.471 379 E N 0.565 120.788 120.200 0.038 0.000 2.265 379 E HA 0.442 4.792 4.350 -0.000 0.000 0.272 379 E C -0.519 176.106 176.600 0.042 0.000 1.067 379 E CA -0.234 56.183 56.400 0.027 0.000 0.900 379 E CB -0.237 29.454 29.700 -0.015 0.000 1.017 379 E HN 0.501 nan 8.360 nan 0.000 0.431 380 C N 3.662 123.015 119.300 0.087 0.000 2.667 380 C HA 0.798 5.258 4.460 -0.000 0.000 0.323 380 C C -1.895 173.177 174.990 0.136 0.000 1.214 380 C CA -1.192 57.911 59.018 0.142 0.000 1.721 380 C CB 1.303 29.197 27.740 0.256 0.000 2.275 380 C HN 0.917 nan 8.230 nan 0.000 0.491 381 P HA 0.400 nan 4.420 nan 0.000 0.275 381 P C 0.557 177.960 177.300 0.171 0.000 1.228 381 P CA -0.364 62.869 63.100 0.222 0.000 0.786 381 P CB 0.617 32.465 31.700 0.248 0.000 0.927 382 R N 0.976 121.595 120.500 0.199 0.000 2.115 382 R HA 0.081 4.421 4.340 -0.000 0.000 0.226 382 R C 1.412 177.820 176.300 0.180 0.000 1.100 382 R CA 0.996 57.194 56.100 0.164 0.000 0.980 382 R CB -0.596 29.757 30.300 0.088 0.000 0.875 382 R HN 0.887 nan 8.270 nan 0.000 0.445 383 G N 0.724 109.668 108.800 0.241 0.000 2.536 383 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.280 383 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.280 383 G C 0.507 175.480 174.900 0.122 0.000 1.152 383 G CA 0.214 45.424 45.100 0.184 0.000 0.970 383 G HN 0.149 nan 8.290 nan 0.000 0.549 384 L N 0.203 121.314 121.223 -0.186 0.000 2.083 384 L HA 0.190 4.530 4.340 -0.000 0.000 0.209 384 L C 1.778 178.687 176.870 0.065 0.000 1.083 384 L CA 1.633 56.360 54.840 -0.188 0.000 0.752 384 L CB -0.697 41.118 42.059 -0.406 0.000 0.899 384 L HN 0.530 nan 8.230 nan 0.000 0.433 385 Y N 1.264 121.510 120.300 -0.090 0.000 2.721 385 Y HA 0.055 4.605 4.550 -0.000 0.000 0.329 385 Y C 1.410 177.367 175.900 0.096 0.000 1.211 385 Y CA -0.075 58.053 58.100 0.047 0.000 1.512 385 Y CB 0.200 38.646 38.460 -0.023 0.000 1.249 385 Y HN 0.385 nan 8.280 nan 0.000 0.549 386 S N 1.342 116.655 115.700 -0.645 0.000 3.261 386 S HA -0.207 4.263 4.470 -0.000 0.000 0.287 386 S C 0.507 175.105 174.600 -0.003 0.000 1.281 386 S CA 0.770 58.680 58.200 -0.483 0.000 1.053 386 S CB -2.245 60.514 63.200 -0.736 0.000 1.251 386 S HN 1.435 nan 8.310 nan 0.000 0.659 387 G N 0.888 109.787 108.800 0.165 0.000 2.773 387 G HA2 0.862 4.822 3.960 -0.000 0.000 0.186 387 G HA3 0.862 4.822 3.960 -0.000 0.000 0.186 387 G C -0.077 175.057 174.900 0.389 0.000 1.411 387 G CA -0.263 45.107 45.100 0.450 0.000 1.054 387 G HN 1.705 nan 8.290 nan 0.000 0.579 388 A N -2.005 121.034 122.820 0.366 0.000 2.572 388 A HA 0.654 4.974 4.320 -0.000 0.000 0.295 388 A C -1.380 176.236 177.584 0.053 0.000 1.072 388 A CA -0.393 51.762 52.037 0.197 0.000 0.691 388 A CB 1.789 20.926 19.000 0.228 0.000 1.291 388 A HN 0.918 nan 8.150 nan 0.000 0.404 389 V N 1.667 121.559 119.914 -0.036 0.000 2.427 389 V HA 0.611 4.731 4.120 -0.000 0.000 0.286 389 V C 0.035 176.031 176.094 -0.163 0.000 1.034 389 V CA -0.220 61.999 62.300 -0.134 0.000 0.893 389 V CB 1.287 32.912 31.823 -0.330 0.000 0.982 389 V HN 1.213 nan 8.190 nan 0.000 0.452 390 V N 3.079 122.832 119.914 -0.268 0.000 2.914 390 V HA 0.792 4.912 4.120 -0.000 0.000 0.314 390 V C -0.645 175.124 176.094 -0.543 0.000 1.084 390 V CA -0.895 61.173 62.300 -0.387 0.000 0.963 390 V CB 2.061 33.686 31.823 -0.330 0.000 1.025 390 V HN 0.894 nan 8.190 nan 0.000 0.432 391 M N 3.893 123.137 119.600 -0.592 0.000 2.213 391 M HA 0.723 5.203 4.480 -0.000 0.000 0.286 391 M C -2.443 173.535 176.300 -0.536 0.000 1.008 391 M CA -0.473 54.413 55.300 -0.690 0.000 0.937 391 M CB 1.678 33.897 32.600 -0.634 0.000 1.600 391 M HN 0.763 nan 8.290 nan 0.000 0.450 392 L N 3.021 123.882 121.223 -0.604 0.000 2.342 392 L HA 0.700 5.040 4.340 -0.000 0.000 0.271 392 L C -0.419 176.197 176.870 -0.423 0.000 1.008 392 L CA -0.175 54.409 54.840 -0.427 0.000 0.818 392 L CB 2.429 44.267 42.059 -0.368 0.000 1.296 392 L HN 0.655 nan 8.230 nan 0.000 0.427 393 S N 0.105 115.629 115.700 -0.292 0.000 2.532 393 S HA 0.584 5.054 4.470 -0.000 0.000 0.301 393 S C 0.887 175.373 174.600 -0.190 0.000 1.083 393 S CA -0.129 57.924 58.200 -0.245 0.000 1.025 393 S CB 1.851 64.936 63.200 -0.192 0.000 1.056 393 S HN 0.738 nan 8.310 nan 0.000 0.494 394 A N 1.572 124.290 122.820 -0.170 0.000 2.024 394 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 394 A C 1.474 178.994 177.584 -0.107 0.000 1.164 394 A CA 1.952 53.910 52.037 -0.132 0.000 0.643 394 A CB -0.706 18.224 19.000 -0.116 0.000 0.806 394 A HN 0.870 nan 8.150 nan 0.000 0.451 395 D N -2.208 118.130 120.400 -0.104 0.000 2.352 395 D HA 0.282 4.922 4.640 -0.000 0.000 0.232 395 D C 1.110 177.362 176.300 -0.080 0.000 1.055 395 D CA 0.935 54.887 54.000 -0.081 0.000 0.891 395 D CB -0.560 40.197 40.800 -0.071 0.000 0.897 395 D HN 0.759 nan 8.370 nan 0.000 0.529 396 G N -1.259 107.483 108.800 -0.097 0.000 2.179 396 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.220 396 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.220 396 G C 0.628 175.468 174.900 -0.100 0.000 0.990 396 G CA -0.139 44.906 45.100 -0.093 0.000 0.646 396 G HN 0.774 nan 8.290 nan 0.000 0.517 397 G N -0.415 108.319 108.800 -0.111 0.000 2.527 397 G HA2 0.621 4.581 3.960 -0.000 0.000 0.248 397 G HA3 0.621 4.581 3.960 -0.000 0.000 0.248 397 G C -0.381 174.434 174.900 -0.142 0.000 1.231 397 G CA 0.324 45.358 45.100 -0.110 0.000 0.838 397 G HN 1.274 nan 8.290 nan 0.000 0.570 398 L N 0.592 121.741 121.223 -0.123 0.000 2.493 398 L HA 0.605 4.945 4.340 -0.000 0.000 0.265 398 L C -1.868 174.939 176.870 -0.105 0.000 0.954 398 L CA -0.787 53.965 54.840 -0.147 0.000 0.844 398 L CB 2.672 44.648 42.059 -0.137 0.000 1.302 398 L HN 0.582 nan 8.230 nan 0.000 0.405 399 D N 3.751 124.078 120.400 -0.123 0.000 2.788 399 D HA 0.743 5.383 4.640 -0.000 0.000 0.247 399 D C -1.282 174.991 176.300 -0.046 0.000 1.236 399 D CA -0.064 53.917 54.000 -0.031 0.000 0.898 399 D CB 2.201 43.037 40.800 0.060 0.000 1.401 399 D HN 0.732 nan 8.370 nan 0.000 0.549 400 A N 2.496 125.329 122.820 0.022 0.000 2.332 400 A HA 0.770 5.090 4.320 -0.000 0.000 0.300 400 A C -0.771 176.889 177.584 0.126 0.000 1.153 400 A CA -0.574 51.481 52.037 0.030 0.000 0.764 400 A CB 1.377 20.371 19.000 -0.010 0.000 1.174 400 A HN 0.615 nan 8.150 nan 0.000 0.467 401 A N 2.247 125.180 122.820 0.188 0.000 2.292 401 A HA 0.625 4.945 4.320 -0.000 0.000 0.319 401 A C -0.234 177.447 177.584 0.163 0.000 1.206 401 A CA -0.534 51.621 52.037 0.197 0.000 0.835 401 A CB 0.416 19.583 19.000 0.278 0.000 1.164 401 A HN 1.471 nan 8.150 nan 0.000 0.505 402 L N 2.532 123.838 121.223 0.139 0.000 2.513 402 L HA 0.228 4.568 4.340 -0.000 0.000 0.272 402 L C 0.520 177.474 176.870 0.140 0.000 1.187 402 L CA 1.026 55.939 54.840 0.121 0.000 0.895 402 L CB 0.494 42.597 42.059 0.073 0.000 1.147 402 L HN 0.635 nan 8.230 nan 0.000 0.483 403 T N 7.408 122.041 114.554 0.131 0.000 3.176 403 T HA 0.433 4.783 4.350 -0.000 0.000 0.301 403 T C 0.035 174.842 174.700 0.177 0.000 1.115 403 T CA -0.045 62.171 62.100 0.193 0.000 1.027 403 T CB -0.691 68.276 68.868 0.164 0.000 1.063 403 T HN 0.398 nan 8.240 nan 0.000 0.669 404 L N 1.178 122.523 121.223 0.204 0.000 2.359 404 L HA 0.628 4.968 4.340 -0.000 0.000 0.256 404 L C 0.658 177.658 176.870 0.215 0.000 1.026 404 L CA -1.514 53.452 54.840 0.210 0.000 0.828 404 L CB 1.646 43.782 42.059 0.127 0.000 1.406 404 L HN 0.388 nan 8.230 nan 0.000 0.413 405 R N 0.890 121.513 120.500 0.205 0.000 3.209 405 R HA -0.155 4.185 4.340 -0.000 0.000 0.252 405 R C -1.188 175.133 176.300 0.036 0.000 0.958 405 R CA 0.613 56.799 56.100 0.144 0.000 0.651 405 R CB -0.980 29.435 30.300 0.192 0.000 1.142 405 R HN 0.734 nan 8.270 nan 0.000 0.441 406 A N 0.174 122.970 122.820 -0.040 0.000 2.515 406 A HA 0.914 5.234 4.320 -0.000 0.000 0.296 406 A C -0.906 176.294 177.584 -0.640 0.000 1.094 406 A CA -0.063 51.782 52.037 -0.319 0.000 0.718 406 A CB 1.974 20.869 19.000 -0.175 0.000 1.307 406 A HN 0.601 nan 8.150 nan 0.000 0.408 407 A N 0.176 122.543 122.820 -0.754 0.000 2.355 407 A HA 0.870 5.189 4.320 -0.000 0.000 0.324 407 A C -1.379 175.689 177.584 -0.859 0.000 1.117 407 A CA -0.394 51.206 52.037 -0.729 0.000 0.785 407 A CB 0.697 19.430 19.000 -0.444 0.000 1.254 407 A HN 0.935 nan 8.150 nan 0.000 0.453 408 Y N -0.387 119.668 120.300 -0.410 0.000 2.553 408 Y HA 0.704 5.254 4.550 -0.000 0.000 0.347 408 Y C -0.021 175.592 175.900 -0.479 0.000 1.019 408 Y CA -0.665 57.076 58.100 -0.597 0.000 1.032 408 Y CB 2.131 39.791 38.460 -1.333 0.000 1.284 408 Y HN 0.696 nan 8.280 nan 0.000 0.466 409 Q N 1.828 121.522 119.800 -0.175 0.000 2.263 409 Q HA 0.712 5.052 4.340 -0.000 0.000 0.262 409 Q C -2.436 173.581 176.000 0.029 0.000 0.984 409 Q CA -0.608 55.203 55.803 0.013 0.000 0.813 409 Q CB 2.383 31.151 28.738 0.050 0.000 1.299 409 Q HN 0.690 nan 8.270 nan 0.000 0.428 410 V N 3.489 123.550 119.914 0.245 0.000 2.612 410 V HA 0.701 4.821 4.120 -0.000 0.000 0.301 410 V C 0.605 176.805 176.094 0.178 0.000 1.059 410 V CA 0.311 62.730 62.300 0.198 0.000 0.886 410 V CB 1.086 33.084 31.823 0.292 0.000 1.007 410 V HN 1.112 nan 8.190 nan 0.000 0.426 411 G N 4.523 113.383 108.800 0.101 0.000 2.550 411 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.277 411 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.277 411 G C 0.855 175.811 174.900 0.092 0.000 1.190 411 G CA 0.363 45.511 45.100 0.081 0.000 0.971 411 G HN 1.735 nan 8.290 nan 0.000 0.559 412 G N 0.099 108.950 108.800 0.085 0.000 3.233 412 G HA2 0.425 4.385 3.960 -0.000 0.000 0.227 412 G HA3 0.425 4.385 3.960 -0.000 0.000 0.227 412 G C 0.685 175.652 174.900 0.112 0.000 1.175 412 G CA 0.940 46.093 45.100 0.087 0.000 0.781 412 G HN 0.621 nan 8.290 nan 0.000 0.542 413 R N 0.594 121.190 120.500 0.160 0.000 2.393 413 R HA 0.513 4.853 4.340 -0.000 0.000 0.310 413 R C -1.180 175.361 176.300 0.402 0.000 0.968 413 R CA -0.180 56.056 56.100 0.227 0.000 0.867 413 R CB 1.117 31.513 30.300 0.160 0.000 1.124 413 R HN 0.028 nan 8.270 nan 0.000 0.450 414 T N 4.966 119.731 114.554 0.351 0.000 2.848 414 T HA 0.546 4.896 4.350 -0.000 0.000 0.285 414 T C -1.344 173.588 174.700 0.386 0.000 0.995 414 T CA -0.547 61.736 62.100 0.306 0.000 0.970 414 T CB 0.804 69.730 68.868 0.096 0.000 0.976 414 T HN 0.708 nan 8.240 nan 0.000 0.441 415 W N 2.546 123.886 121.300 0.066 0.000 3.005 415 W HA 0.765 5.425 4.660 -0.000 0.000 0.343 415 W C -2.712 173.857 176.519 0.082 0.000 1.243 415 W CA -1.289 56.078 57.345 0.038 0.000 1.186 415 W CB 0.706 30.192 29.460 0.043 0.000 1.453 415 W HN 0.540 nan 8.180 nan 0.000 0.575 416 L N 2.236 123.563 121.223 0.172 0.000 2.303 416 L HA 0.763 5.103 4.340 -0.000 0.000 0.266 416 L C -0.272 176.715 176.870 0.196 0.000 1.011 416 L CA -1.426 53.441 54.840 0.044 0.000 0.818 416 L CB 2.076 44.122 42.059 -0.021 0.000 1.326 416 L HN 0.668 nan 8.230 nan 0.000 0.435 417 R N 1.020 121.580 120.500 0.101 0.000 2.515 417 R HA 0.776 5.116 4.340 -0.000 0.000 0.278 417 R C -1.912 174.301 176.300 -0.145 0.000 1.107 417 R CA -0.267 55.782 56.100 -0.085 0.000 0.945 417 R CB 2.079 32.220 30.300 -0.264 0.000 1.219 417 R HN 0.823 nan 8.270 nan 0.000 0.434 418 A N 2.038 124.749 122.820 -0.182 0.000 2.556 418 A HA 0.894 5.214 4.320 -0.000 0.000 0.294 418 A C -1.020 176.515 177.584 -0.081 0.000 1.091 418 A CA -0.355 51.654 52.037 -0.046 0.000 0.704 418 A CB 2.017 20.972 19.000 -0.075 0.000 1.300 418 A HN 0.821 nan 8.150 nan 0.000 0.406 419 G N -1.154 107.692 108.800 0.076 0.000 3.022 419 G HA2 0.900 4.860 3.960 -0.000 0.000 0.284 419 G HA3 0.900 4.860 3.960 -0.000 0.000 0.284 419 G C -0.831 174.149 174.900 0.133 0.000 1.375 419 G CA -0.063 45.103 45.100 0.111 0.000 0.902 419 G HN 2.011 nan 8.290 nan 0.000 0.538 420 A N -1.416 121.545 122.820 0.235 0.000 2.549 420 A HA 0.782 5.102 4.320 -0.000 0.000 0.297 420 A C -0.057 177.637 177.584 0.184 0.000 1.061 420 A CA 0.017 52.179 52.037 0.209 0.000 0.690 420 A CB 1.530 20.696 19.000 0.276 0.000 1.287 420 A HN 1.824 nan 8.150 nan 0.000 0.402 421 G N 1.730 110.612 108.800 0.138 0.000 2.365 421 G HA2 0.492 4.452 3.960 -0.000 0.000 0.293 421 G HA3 0.492 4.452 3.960 -0.000 0.000 0.293 421 G C -0.144 174.822 174.900 0.109 0.000 1.128 421 G CA -0.166 45.005 45.100 0.119 0.000 0.971 421 G HN 0.486 nan 8.290 nan 0.000 0.422 422 I N 3.946 124.577 120.570 0.101 0.000 2.342 422 I HA 0.380 4.549 4.170 -0.000 0.000 0.291 422 I C 0.786 176.936 176.117 0.056 0.000 1.010 422 I CA -0.576 60.766 61.300 0.070 0.000 1.308 422 I CB 0.631 38.661 38.000 0.051 0.000 1.400 422 I HN 0.484 nan 8.210 nan 0.000 0.488 423 I N 1.466 122.042 120.570 0.010 0.000 3.294 423 I HA 0.498 4.668 4.170 -0.000 0.000 0.311 423 I C 1.166 177.230 176.117 -0.089 0.000 1.111 423 I CA -0.835 60.426 61.300 -0.065 0.000 0.976 423 I CB 1.543 39.498 38.000 -0.076 0.000 1.260 423 I HN 0.530 nan 8.210 nan 0.000 0.474 424 E N 1.099 121.208 120.200 -0.151 0.000 2.070 424 E HA -0.273 4.077 4.350 -0.000 0.000 0.197 424 E C 1.671 178.230 176.600 -0.067 0.000 1.004 424 E CA 2.353 58.682 56.400 -0.117 0.000 0.805 424 E CB -0.037 29.584 29.700 -0.132 0.000 0.744 424 E HN 0.805 nan 8.360 nan 0.000 0.451 425 E N 0.669 120.840 120.200 -0.049 0.000 2.482 425 E HA -0.046 4.304 4.350 -0.000 0.000 0.196 425 E C 0.460 177.055 176.600 -0.009 0.000 1.047 425 E CA 0.426 56.812 56.400 -0.022 0.000 0.869 425 E CB -0.033 29.662 29.700 -0.008 0.000 0.836 425 E HN 0.101 nan 8.360 nan 0.000 0.520 426 S N 1.360 117.055 115.700 -0.009 0.000 2.572 426 S HA 0.043 4.513 4.470 -0.000 0.000 0.279 426 S C -0.096 174.506 174.600 0.004 0.000 1.341 426 S CA -0.637 57.568 58.200 0.009 0.000 1.043 426 S CB 0.712 63.922 63.200 0.017 0.000 0.887 426 S HN 0.389 nan 8.310 nan 0.000 0.516 427 E N 1.416 121.629 120.200 0.020 0.000 2.222 427 E HA 0.441 4.790 4.350 -0.000 0.000 0.267 427 E C -2.700 173.922 176.600 0.036 0.000 0.884 427 E CA -2.511 53.900 56.400 0.018 0.000 0.764 427 E CB 1.522 31.236 29.700 0.023 0.000 1.169 427 E HN 0.227 nan 8.360 nan 0.000 0.413 428 P HA -0.273 nan 4.420 nan 0.000 0.217 428 P C 1.104 178.479 177.300 0.125 0.000 1.162 428 P CA 1.423 64.538 63.100 0.025 0.000 0.901 428 P CB 0.254 31.944 31.700 -0.016 0.000 0.793 429 E N -0.876 119.382 120.200 0.095 0.000 2.058 429 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 429 E C 2.158 178.873 176.600 0.190 0.000 0.997 429 E CA 1.344 57.823 56.400 0.132 0.000 0.801 429 E CB -0.594 29.146 29.700 0.068 0.000 0.746 429 E HN -0.116 nan 8.360 nan 0.000 0.450 430 R N 0.530 121.111 120.500 0.135 0.000 2.081 430 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 430 R C 1.970 178.368 176.300 0.164 0.000 1.131 430 R CA 1.639 57.814 56.100 0.125 0.000 0.960 430 R CB -0.259 30.091 30.300 0.083 0.000 0.856 430 R HN 0.095 nan 8.270 nan 0.000 0.436 431 E N -0.401 119.921 120.200 0.204 0.000 2.106 431 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 431 E C 1.764 178.608 176.600 0.408 0.000 0.984 431 E CA 0.956 57.523 56.400 0.279 0.000 0.806 431 E CB -0.473 29.392 29.700 0.275 0.000 0.750 431 E HN 0.351 nan 8.360 nan 0.000 0.458 432 F N 2.248 122.407 119.950 0.348 0.000 2.171 432 F HA -0.209 4.318 4.527 -0.000 0.000 0.300 432 F C 2.329 178.175 175.800 0.077 0.000 1.090 432 F CA 1.741 59.904 58.000 0.271 0.000 1.293 432 F CB 0.100 39.250 39.000 0.249 0.000 1.013 432 F HN -0.045 nan 8.300 nan 0.000 0.486 433 E N 0.618 120.925 120.200 0.179 0.000 2.150 433 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 433 E C 1.986 178.564 176.600 -0.038 0.000 0.985 433 E CA 1.381 57.812 56.400 0.052 0.000 0.814 433 E CB -0.339 29.427 29.700 0.110 0.000 0.752 433 E HN 0.480 nan 8.360 nan 0.000 0.466 434 E N -0.391 119.813 120.200 0.006 0.000 2.077 434 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 434 E C 1.950 178.500 176.600 -0.085 0.000 0.989 434 E CA 2.159 58.555 56.400 -0.006 0.000 0.800 434 E CB -0.575 29.158 29.700 0.056 0.000 0.746 434 E HN 0.435 nan 8.360 nan 0.000 0.452 435 T N -2.213 112.225 114.554 -0.193 0.000 2.867 435 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 435 T C 2.270 176.782 174.700 -0.314 0.000 1.057 435 T CA 1.162 63.075 62.100 -0.312 0.000 1.136 435 T CB -0.994 67.507 68.868 -0.611 0.000 0.874 435 T HN 0.219 nan 8.240 nan 0.000 0.466 436 C N 1.391 120.478 119.300 -0.355 0.000 2.429 436 C HA 0.043 4.503 4.460 -0.000 0.000 0.277 436 C C 2.843 177.744 174.990 -0.149 0.000 1.262 436 C CA 1.064 59.921 59.018 -0.268 0.000 1.733 436 C CB -1.095 26.511 27.740 -0.223 0.000 2.010 436 C HN 0.688 nan 8.230 nan 0.000 0.483 437 E N 1.284 121.418 120.200 -0.110 0.000 2.051 437 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 437 E C 2.113 178.677 176.600 -0.060 0.000 0.991 437 E CA 1.554 57.913 56.400 -0.069 0.000 0.799 437 E CB -0.146 29.528 29.700 -0.043 0.000 0.748 437 E HN 0.519 nan 8.360 nan 0.000 0.449 438 K N -0.132 120.233 120.400 -0.058 0.000 2.026 438 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 438 K C 2.279 178.861 176.600 -0.031 0.000 1.048 438 K CA 1.449 57.722 56.287 -0.025 0.000 0.929 438 K CB -0.276 32.218 32.500 -0.010 0.000 0.713 438 K HN 0.183 nan 8.250 nan 0.000 0.439 439 L N 0.906 122.084 121.223 -0.075 0.000 2.131 439 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 439 L C 2.079 178.906 176.870 -0.072 0.000 1.092 439 L CA 0.931 55.727 54.840 -0.073 0.000 0.759 439 L CB -0.295 41.696 42.059 -0.114 0.000 0.903 439 L HN 0.072 nan 8.230 nan 0.000 0.435 440 S N -1.068 114.581 115.700 -0.084 0.000 2.595 440 S HA -0.091 4.379 4.470 -0.000 0.000 0.235 440 S C 1.710 176.242 174.600 -0.113 0.000 0.974 440 S CA 1.286 59.425 58.200 -0.102 0.000 0.942 440 S CB -0.378 62.766 63.200 -0.093 0.000 0.766 440 S HN 0.623 nan 8.310 nan 0.000 0.536 441 T N -1.623 112.897 114.554 -0.056 0.000 3.122 441 T HA 0.337 4.686 4.350 -0.000 0.000 0.250 441 T C 0.965 175.706 174.700 0.070 0.000 1.067 441 T CA -0.116 61.980 62.100 -0.007 0.000 0.966 441 T CB 0.123 69.023 68.868 0.053 0.000 1.002 441 T HN 0.234 nan 8.240 nan 0.000 0.542 442 L N 1.011 122.229 121.223 -0.009 0.000 2.815 442 L HA 0.283 4.623 4.340 -0.000 0.000 0.241 442 L C 2.301 179.126 176.870 -0.076 0.000 1.047 442 L CA 1.264 56.158 54.840 0.091 0.000 0.939 442 L CB -0.231 41.886 42.059 0.098 0.000 1.490 442 L HN 0.316 nan 8.230 nan 0.000 0.510 443 T N -2.268 112.205 114.554 -0.135 0.000 2.849 443 T HA -0.046 4.304 4.350 -0.000 0.000 0.270 443 T C -0.710 173.857 174.700 -0.222 0.000 1.066 443 T CA 1.221 63.242 62.100 -0.131 0.000 1.130 443 T CB -1.610 67.200 68.868 -0.097 0.000 0.864 443 T HN 0.208 nan 8.240 nan 0.000 0.481 444 P HA 0.025 nan 4.420 nan 0.000 0.230 444 P C 0.150 177.154 177.300 -0.492 0.000 1.158 444 P CA 0.707 63.468 63.100 -0.566 0.000 0.769 444 P CB -0.220 30.986 31.700 -0.822 0.000 0.807 445 Y N -1.955 118.338 120.300 -0.012 0.000 2.467 445 Y HA 0.241 4.791 4.550 -0.000 0.000 0.250 445 Y C 0.965 176.867 175.900 0.004 0.000 1.155 445 Y CA -0.904 57.198 58.100 0.004 0.000 1.249 445 Y CB -0.776 37.698 38.460 0.023 0.000 1.146 445 Y HN -0.199 nan 8.280 nan 0.000 0.524 446 L N 1.818 123.101 121.223 0.100 0.000 2.562 446 L HA 0.130 4.469 4.340 -0.000 0.000 0.271 446 L C -0.331 176.613 176.870 0.124 0.000 1.167 446 L CA -0.122 54.778 54.840 0.100 0.000 0.917 446 L CB 0.039 42.185 42.059 0.145 0.000 1.187 446 L HN -0.146 nan 8.230 nan 0.000 0.482 447 V N 3.685 123.654 119.914 0.092 0.000 2.370 447 V HA 0.469 4.589 4.120 -0.000 0.000 0.283 447 V C 0.674 176.831 176.094 0.105 0.000 1.023 447 V CA -0.632 61.707 62.300 0.065 0.000 0.857 447 V CB 1.511 33.361 31.823 0.045 0.000 0.985 447 V HN 0.887 nan 8.190 nan 0.000 0.443 448 A N 5.426 128.269 122.820 0.038 0.000 2.386 448 A HA 0.852 5.172 4.320 -0.000 0.000 0.248 448 A C 0.296 177.926 177.584 0.077 0.000 1.082 448 A CA 0.110 52.192 52.037 0.075 0.000 0.789 448 A CB 0.393 19.257 19.000 -0.228 0.000 1.025 448 A HN 1.012 nan 8.150 nan 0.000 0.490 449 R N 0.000 120.580 120.500 0.133 0.000 2.786 449 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 449 R CA 0.000 56.163 56.100 0.105 0.000 0.921 449 R CB 0.000 30.338 30.300 0.063 0.000 0.687 449 R HN 0.000 nan 8.270 nan 0.000 0.535