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 2wv7_1_E DATA FIRST_RESID 3 DATA SEQUENCE KFRLIPYKQV DKVSALSEVP MGVEIVEAPA VWRASAKGAG QIIGVIDTGC DATA SEQUENCE QVDHPDLAER IIGGVNLTTD YGGDETNFSD NNGHGTHVAG TVAAAETGSG DATA SEQUENCE VVGVAPKADL FIIKALSGDG SGEMGWIAKA IRYAVDWRGP KGEQMRIITM DATA SEQUENCE SLGGPTDSEE LHDAVKYAVS NNVSVVCAAG NXXXXXXXXN EFAYPAAYNE DATA SEQUENCE VIAVGAVDFD LRLXXXXXXX XEIDIVAPGV GIKSTYLDSG YAELSGTAMA DATA SEQUENCE APHVAGALAL IINLAEDAFK RSLSETEIYA QLVRRATPIG FTAQAEGNGF DATA SEQUENCE LTLDLVERIT GQFT 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.635 176.600 0.058 0.000 0.988 3 K CA 0.000 56.352 56.287 0.108 0.000 0.838 3 K CB 0.000 32.508 32.500 0.014 0.000 1.064 4 F N 3.097 123.037 119.950 -0.017 0.000 2.469 4 F HA 0.664 5.192 4.527 0.002 0.000 0.332 4 F C 0.185 176.041 175.800 0.092 0.000 1.103 4 F CA -0.274 57.756 58.000 0.049 0.000 0.979 4 F CB 1.802 40.838 39.000 0.061 0.000 1.137 4 F HN 0.547 nan 8.300 nan 0.000 0.463 5 R N 1.359 122.031 120.500 0.286 0.000 2.716 5 R HA 0.604 4.945 4.340 0.002 0.000 0.271 5 R C -1.957 174.458 176.300 0.192 0.000 1.028 5 R CA -1.237 55.002 56.100 0.232 0.000 0.883 5 R CB 0.759 31.180 30.300 0.201 0.000 1.250 5 R HN 0.246 nan 8.270 nan 0.000 0.465 6 L N 1.763 123.040 121.223 0.089 0.000 2.543 6 L HA 0.073 4.415 4.340 0.002 0.000 0.285 6 L C 0.341 177.137 176.870 -0.122 0.000 1.236 6 L CA 0.071 54.884 54.840 -0.044 0.000 0.871 6 L CB -0.402 41.583 42.059 -0.123 0.000 1.121 6 L HN 0.574 nan 8.230 nan 0.000 0.501 7 I N 5.978 126.397 120.570 -0.251 0.000 2.494 7 I HA 0.065 4.236 4.170 0.002 0.000 0.289 7 I C -1.638 174.312 176.117 -0.279 0.000 1.106 7 I CA -1.311 59.670 61.300 -0.531 0.000 1.369 7 I CB 0.280 38.027 38.000 -0.421 0.000 1.410 7 I HN 0.513 nan 8.210 nan 0.000 0.523 8 P HA -0.047 nan 4.420 nan 0.000 0.266 8 P C -1.324 175.954 177.300 -0.037 0.000 1.180 8 P CA 0.569 63.573 63.100 -0.160 0.000 0.765 8 P CB 0.191 31.788 31.700 -0.170 0.000 0.806 9 Y N -1.600 118.623 120.300 -0.128 0.000 2.670 9 Y HA 0.683 5.234 4.550 0.002 0.000 0.334 9 Y C -1.061 174.798 175.900 -0.069 0.000 1.185 9 Y CA -1.344 56.697 58.100 -0.098 0.000 1.053 9 Y CB 1.296 39.701 38.460 -0.091 0.000 1.298 9 Y HN -0.025 nan 8.280 nan 0.000 0.459 10 K N 2.071 122.498 120.400 0.045 0.000 2.376 10 K HA 0.196 4.517 4.320 0.002 0.000 0.257 10 K C -1.253 175.392 176.600 0.075 0.000 0.939 10 K CA -0.754 55.516 56.287 -0.029 0.000 0.809 10 K CB 2.214 34.694 32.500 -0.032 0.000 1.121 10 K HN 0.880 nan 8.250 nan 0.000 0.425 11 Q N 3.116 122.943 119.800 0.044 0.000 2.262 11 Q HA 0.037 4.378 4.340 0.002 0.000 0.272 11 Q C 0.514 176.517 176.000 0.004 0.000 1.076 11 Q CA -0.001 55.822 55.803 0.032 0.000 0.905 11 Q CB 0.782 29.520 28.738 0.000 0.000 1.182 11 Q HN 0.392 nan 8.270 nan 0.000 0.390 12 V N 3.304 123.225 119.914 0.012 0.000 2.446 12 V HA -0.018 4.103 4.120 0.002 0.000 0.244 12 V C 0.419 176.520 176.094 0.011 0.000 1.039 12 V CA 1.347 63.656 62.300 0.016 0.000 1.045 12 V CB 0.075 31.918 31.823 0.034 0.000 0.681 12 V HN 0.772 nan 8.190 nan 0.000 0.459 13 D N -1.302 119.101 120.400 0.004 0.000 2.803 13 D HA 0.373 5.014 4.640 0.002 0.000 0.218 13 D C -1.155 175.136 176.300 -0.014 0.000 1.245 13 D CA -0.565 53.440 54.000 0.008 0.000 0.821 13 D CB 1.725 42.543 40.800 0.031 0.000 1.626 13 D HN 0.052 nan 8.370 nan 0.000 0.487 14 K N 1.240 121.639 120.400 -0.002 0.000 2.244 14 K HA 0.724 5.045 4.320 0.002 0.000 0.260 14 K C -0.899 175.747 176.600 0.076 0.000 0.951 14 K CA -0.811 55.486 56.287 0.016 0.000 0.826 14 K CB 2.129 34.643 32.500 0.024 0.000 1.108 14 K HN 0.175 nan 8.250 nan 0.000 0.433 15 V N 0.770 120.763 119.914 0.132 0.000 2.823 15 V HA 0.236 4.357 4.120 0.002 0.000 0.312 15 V C 0.587 176.824 176.094 0.238 0.000 1.072 15 V CA -0.833 61.558 62.300 0.152 0.000 0.937 15 V CB 1.860 33.757 31.823 0.123 0.000 1.013 15 V HN 0.796 nan 8.190 nan 0.000 0.430 16 S N 1.393 117.207 115.700 0.190 0.000 2.395 16 S HA 0.253 4.724 4.470 0.002 0.000 0.225 16 S C 0.754 175.544 174.600 0.318 0.000 1.027 16 S CA 1.093 59.410 58.200 0.194 0.000 0.965 16 S CB 0.168 63.436 63.200 0.112 0.000 0.812 16 S HN 1.143 nan 8.310 nan 0.000 0.482 17 A N 1.105 124.087 122.820 0.269 0.000 2.385 17 A HA 0.720 5.042 4.320 0.002 0.000 0.290 17 A C -0.798 176.784 177.584 -0.004 0.000 1.094 17 A CA -0.572 51.593 52.037 0.213 0.000 0.729 17 A CB 0.886 19.957 19.000 0.119 0.000 1.194 17 A HN 0.280 nan 8.150 nan 0.000 0.442 18 L N 0.904 121.921 121.223 -0.344 0.000 2.286 18 L HA 0.838 5.180 4.340 0.002 0.000 0.265 18 L C 0.337 177.026 176.870 -0.302 0.000 1.012 18 L CA -0.797 53.795 54.840 -0.413 0.000 0.818 18 L CB 2.378 44.040 42.059 -0.662 0.000 1.337 18 L HN 0.646 nan 8.230 nan 0.000 0.438 19 S N 1.164 116.753 115.700 -0.185 0.000 2.397 19 S HA 0.372 4.843 4.470 0.002 0.000 0.190 19 S C -1.275 173.284 174.600 -0.068 0.000 1.100 19 S CA -0.558 57.582 58.200 -0.099 0.000 1.150 19 S CB 0.153 63.324 63.200 -0.049 0.000 1.302 19 S HN 0.768 nan 8.310 nan 0.000 0.417 20 E N 0.733 120.895 120.200 -0.062 0.000 2.403 20 E HA 0.356 4.707 4.350 0.002 0.000 0.280 20 E C -1.730 174.869 176.600 -0.000 0.000 1.101 20 E CA -1.162 55.219 56.400 -0.032 0.000 0.856 20 E CB 0.652 30.323 29.700 -0.048 0.000 1.303 20 E HN 0.156 nan 8.360 nan 0.000 0.441 21 V N 2.079 122.006 119.914 0.022 0.000 2.372 21 V HA 0.283 4.404 4.120 0.002 0.000 0.261 21 V C -2.081 174.024 176.094 0.018 0.000 1.055 21 V CA -1.244 61.090 62.300 0.056 0.000 0.930 21 V CB 0.140 32.003 31.823 0.067 0.000 1.031 21 V HN 0.553 nan 8.190 nan 0.000 0.479 22 P HA 0.110 nan 4.420 nan 0.000 0.269 22 P C 0.802 178.109 177.300 0.011 0.000 1.215 22 P CA -0.336 62.784 63.100 0.033 0.000 0.780 22 P CB 0.569 32.320 31.700 0.086 0.000 0.898 23 M N 2.895 122.444 119.600 -0.084 0.000 2.080 23 M HA -0.086 4.395 4.480 0.002 0.000 0.260 23 M C 1.979 178.218 176.300 -0.101 0.000 1.068 23 M CA 2.503 57.619 55.300 -0.308 0.000 1.109 23 M CB -1.595 30.448 32.600 -0.927 0.000 1.342 23 M HN 0.496 nan 8.290 nan 0.000 0.405 24 G N -1.132 107.807 108.800 0.231 0.000 2.475 24 G HA2 -0.176 3.785 3.960 0.002 0.000 0.220 24 G HA3 -0.176 3.785 3.960 0.002 0.000 0.220 24 G C 1.438 176.460 174.900 0.204 0.000 1.125 24 G CA 1.231 46.545 45.100 0.357 0.000 0.755 24 G HN 0.435 nan 8.290 nan 0.000 0.565 25 V N 1.529 121.571 119.914 0.213 0.000 2.453 25 V HA -0.122 3.999 4.120 0.002 0.000 0.247 25 V C 2.784 178.879 176.094 0.002 0.000 1.048 25 V CA 2.242 64.636 62.300 0.157 0.000 1.049 25 V CB -0.213 31.707 31.823 0.162 0.000 0.672 25 V HN 0.770 nan 8.190 nan 0.000 0.457 26 E N -0.200 119.977 120.200 -0.038 0.000 2.190 26 E HA -0.063 4.288 4.350 0.002 0.000 0.191 26 E C 2.258 178.827 176.600 -0.052 0.000 0.978 26 E CA 0.662 57.000 56.400 -0.104 0.000 0.839 26 E CB -0.251 29.374 29.700 -0.125 0.000 0.787 26 E HN 0.527 nan 8.360 nan 0.000 0.473 27 I N 1.466 122.040 120.570 0.008 0.000 2.567 27 I HA -0.172 3.999 4.170 0.002 0.000 0.257 27 I C 1.729 177.950 176.117 0.174 0.000 1.184 27 I CA 0.735 62.099 61.300 0.105 0.000 1.451 27 I CB 0.259 38.374 38.000 0.192 0.000 1.089 27 I HN 0.022 nan 8.210 nan 0.000 0.441 28 V N 0.739 120.688 119.914 0.059 0.000 3.623 28 V HA -0.028 4.094 4.120 0.002 0.000 0.271 28 V C 0.727 176.777 176.094 -0.073 0.000 1.248 28 V CA 0.654 62.922 62.300 -0.054 0.000 1.156 28 V CB -0.704 31.059 31.823 -0.100 0.000 0.870 28 V HN 0.522 nan 8.190 nan 0.000 0.453 29 E N -1.087 119.067 120.200 -0.077 0.000 2.637 29 E HA -0.318 4.034 4.350 0.002 0.000 0.265 29 E C 1.389 177.867 176.600 -0.203 0.000 1.073 29 E CA 0.402 56.727 56.400 -0.125 0.000 0.778 29 E CB -1.513 28.143 29.700 -0.074 0.000 1.362 29 E HN 0.647 nan 8.360 nan 0.000 0.413 30 A N 0.034 122.693 122.820 -0.269 0.000 1.902 30 A HA -0.065 4.257 4.320 0.002 0.000 0.217 30 A C -0.400 176.630 177.584 -0.924 0.000 1.181 30 A CA 1.493 53.291 52.037 -0.399 0.000 0.623 30 A CB -0.753 18.106 19.000 -0.235 0.000 0.818 30 A HN 0.211 nan 8.150 nan 0.000 0.443 31 P HA -0.035 nan 4.420 nan 0.000 0.222 31 P C 1.306 178.329 177.300 -0.461 0.000 1.147 31 P CA 1.482 63.825 63.100 -1.262 0.000 0.790 31 P CB -0.017 31.149 31.700 -0.889 0.000 0.780 32 A N -1.243 121.390 122.820 -0.310 0.000 2.167 32 A HA 0.020 4.341 4.320 0.002 0.000 0.214 32 A C 1.962 179.507 177.584 -0.066 0.000 1.151 32 A CA 1.074 53.029 52.037 -0.136 0.000 0.735 32 A CB -0.818 18.117 19.000 -0.109 0.000 0.802 32 A HN 0.117 nan 8.150 nan 0.000 0.467 33 V N -2.678 117.191 119.914 -0.075 0.000 3.604 33 V HA 0.006 4.127 4.120 0.002 0.000 0.277 33 V C 1.688 177.872 176.094 0.151 0.000 1.399 33 V CA -0.325 61.987 62.300 0.020 0.000 1.034 33 V CB -0.427 31.396 31.823 -0.000 0.000 0.824 33 V HN 0.704 nan 8.190 nan 0.000 0.439 34 W N 1.182 122.488 121.300 0.011 0.000 2.302 34 W HA -0.215 4.446 4.660 0.002 0.000 0.320 34 W C 2.548 179.074 176.519 0.011 0.000 1.241 34 W CA 1.993 59.345 57.345 0.011 0.000 1.264 34 W CB -0.926 28.541 29.460 0.011 0.000 1.154 34 W HN 0.203 nan 8.180 nan 0.000 0.483 35 R N 0.135 120.780 120.500 0.241 0.000 2.088 35 R HA -0.172 4.170 4.340 0.002 0.000 0.232 35 R C 2.306 178.664 176.300 0.096 0.000 1.136 35 R CA 2.327 58.506 56.100 0.132 0.000 0.926 35 R CB -0.938 29.420 30.300 0.097 0.000 0.837 35 R HN 0.048 nan 8.270 nan 0.000 0.429 36 A N 0.078 122.950 122.820 0.086 0.000 2.084 36 A HA -0.161 4.160 4.320 0.002 0.000 0.221 36 A C 1.901 179.527 177.584 0.070 0.000 1.161 36 A CA 2.058 54.132 52.037 0.063 0.000 0.653 36 A CB -0.331 18.698 19.000 0.048 0.000 0.802 36 A HN 0.607 nan 8.150 nan 0.000 0.457 37 S N -2.836 112.923 115.700 0.098 0.000 2.539 37 S HA 0.513 4.984 4.470 0.002 0.000 0.221 37 S C 0.934 175.578 174.600 0.073 0.000 0.987 37 S CA 0.972 59.229 58.200 0.095 0.000 0.929 37 S CB 0.027 63.306 63.200 0.132 0.000 0.832 37 S HN 1.956 nan 8.310 nan 0.000 0.492 38 A N 2.169 125.024 122.820 0.059 0.000 2.822 38 A HA -0.248 4.074 4.320 0.002 0.000 0.287 38 A C 0.911 178.483 177.584 -0.019 0.000 1.479 38 A CA 1.052 53.101 52.037 0.019 0.000 0.779 38 A CB -2.682 16.327 19.000 0.015 0.000 1.022 38 A HN 0.693 nan 8.150 nan 0.000 0.532 39 K N -3.095 117.295 120.400 -0.017 0.000 2.960 39 K HA -0.200 4.121 4.320 0.002 0.000 0.259 39 K C 1.287 177.841 176.600 -0.077 0.000 1.025 39 K CA 1.298 57.492 56.287 -0.155 0.000 0.756 39 K CB -2.194 30.038 32.500 -0.448 0.000 1.221 39 K HN 2.434 nan 8.250 nan 0.000 0.483 40 G N -1.137 107.670 108.800 0.010 0.000 2.143 40 G HA2 -0.265 3.697 3.960 0.002 0.000 0.249 40 G HA3 -0.265 3.697 3.960 0.002 0.000 0.249 40 G C 0.267 175.172 174.900 0.009 0.000 0.981 40 G CA 0.184 45.299 45.100 0.024 0.000 0.665 40 G HN 0.926 nan 8.290 nan 0.000 0.528 41 A N -0.356 122.461 122.820 -0.005 0.000 2.540 41 A HA 0.604 4.925 4.320 0.002 0.000 0.239 41 A C 2.095 179.689 177.584 0.017 0.000 1.061 41 A CA 2.077 54.114 52.037 -0.001 0.000 0.758 41 A CB -0.086 18.909 19.000 -0.009 0.000 0.991 41 A HN 2.417 nan 8.150 nan 0.000 0.502 42 G N 0.702 109.516 108.800 0.024 0.000 2.176 42 G HA2 -0.184 3.778 3.960 0.002 0.000 0.253 42 G HA3 -0.184 3.778 3.960 0.002 0.000 0.253 42 G C 0.127 175.052 174.900 0.042 0.000 0.979 42 G CA 0.482 45.601 45.100 0.032 0.000 0.641 42 G HN 0.864 nan 8.290 nan 0.000 0.530 43 Q N -0.147 119.679 119.800 0.044 0.000 2.235 43 Q HA 0.754 5.096 4.340 0.002 0.000 0.256 43 Q C 0.280 176.319 176.000 0.065 0.000 0.951 43 Q CA -0.415 55.419 55.803 0.052 0.000 0.890 43 Q CB 1.608 30.374 28.738 0.047 0.000 1.279 43 Q HN 0.499 nan 8.270 nan 0.000 0.444 44 I N 2.424 123.043 120.570 0.081 0.000 2.406 44 I HA 0.368 4.539 4.170 0.002 0.000 0.290 44 I C -0.434 175.724 176.117 0.067 0.000 0.999 44 I CA -0.827 60.529 61.300 0.093 0.000 1.124 44 I CB 1.386 39.480 38.000 0.155 0.000 1.289 44 I HN 0.370 nan 8.210 nan 0.000 0.441 45 I N 4.747 125.349 120.570 0.053 0.000 2.359 45 I HA 0.408 4.579 4.170 0.002 0.000 0.294 45 I C 0.765 176.908 176.117 0.044 0.000 0.987 45 I CA 0.067 61.392 61.300 0.042 0.000 1.225 45 I CB 1.560 39.579 38.000 0.031 0.000 1.366 45 I HN 0.625 nan 8.210 nan 0.000 0.466 46 G N 5.963 114.788 108.800 0.042 0.000 2.404 46 G HA2 0.463 4.425 3.960 0.002 0.000 0.316 46 G HA3 0.463 4.425 3.960 0.002 0.000 0.316 46 G C -0.407 174.522 174.900 0.049 0.000 1.074 46 G CA -0.365 44.769 45.100 0.057 0.000 0.989 46 G HN 0.389 nan 8.290 nan 0.000 0.430 47 V N 5.120 125.051 119.914 0.028 0.000 2.370 47 V HA 0.115 4.237 4.120 0.002 0.000 0.257 47 V C 0.518 176.629 176.094 0.028 0.000 1.064 47 V CA -0.121 62.189 62.300 0.016 0.000 0.975 47 V CB 0.024 31.837 31.823 -0.016 0.000 1.067 47 V HN 0.573 nan 8.190 nan 0.000 0.485 48 I N 5.375 125.979 120.570 0.056 0.000 2.281 48 I HA 0.379 4.551 4.170 0.002 0.000 0.293 48 I C 0.434 176.605 176.117 0.091 0.000 1.085 48 I CA 0.510 61.851 61.300 0.069 0.000 1.257 48 I CB 0.179 38.231 38.000 0.086 0.000 1.430 48 I HN 0.668 nan 8.210 nan 0.000 0.489 49 D N 2.681 123.133 120.400 0.087 0.000 4.113 49 D HA 0.109 4.750 4.640 0.002 0.000 0.322 49 D C 0.495 176.864 176.300 0.115 0.000 1.576 49 D CA 0.003 54.079 54.000 0.126 0.000 0.977 49 D CB 1.355 42.232 40.800 0.130 0.000 1.429 49 D HN 0.343 nan 8.370 nan 0.000 0.645 50 T N -0.687 113.943 114.554 0.127 0.000 3.186 50 T HA 0.538 4.889 4.350 0.002 0.000 0.257 50 T C 0.906 175.661 174.700 0.090 0.000 1.029 50 T CA 0.798 62.962 62.100 0.107 0.000 0.916 50 T CB 0.073 69.017 68.868 0.127 0.000 1.041 50 T HN 0.824 nan 8.240 nan 0.000 0.562 51 G N -0.230 108.618 108.800 0.080 0.000 2.685 51 G HA2 0.018 3.979 3.960 0.002 0.000 0.387 51 G HA3 0.018 3.979 3.960 0.002 0.000 0.387 51 G C -0.578 174.368 174.900 0.077 0.000 1.324 51 G CA -0.640 44.524 45.100 0.107 0.000 0.878 51 G HN 1.097 nan 8.290 nan 0.000 0.527 52 C N -0.561 118.797 119.300 0.096 0.000 2.985 52 C HA 0.692 5.153 4.460 0.002 0.000 0.332 52 C C 0.278 175.283 174.990 0.026 0.000 1.164 52 C CA -0.253 58.792 59.018 0.046 0.000 1.347 52 C CB 1.456 29.219 27.740 0.039 0.000 1.764 52 C HN 1.094 nan 8.230 nan 0.000 0.489 53 Q N 3.057 122.856 119.800 -0.002 0.000 2.337 53 Q HA 0.143 4.484 4.340 0.002 0.000 0.255 53 Q C 1.094 177.098 176.000 0.007 0.000 1.205 53 Q CA 0.106 55.903 55.803 -0.009 0.000 0.902 53 Q CB 0.837 29.587 28.738 0.021 0.000 1.433 53 Q HN 0.803 nan 8.270 nan 0.000 0.471 54 V N 2.462 122.353 119.914 -0.039 0.000 2.370 54 V HA -0.257 3.864 4.120 0.002 0.000 0.252 54 V C 1.189 177.278 176.094 -0.009 0.000 1.068 54 V CA 2.226 64.507 62.300 -0.031 0.000 1.061 54 V CB -0.635 31.106 31.823 -0.136 0.000 0.656 54 V HN 0.844 nan 8.190 nan 0.000 0.455 55 D N -2.009 118.377 120.400 -0.022 0.000 2.593 55 D HA 0.031 4.672 4.640 0.002 0.000 0.241 55 D C 0.584 176.876 176.300 -0.013 0.000 1.257 55 D CA -0.528 53.458 54.000 -0.024 0.000 0.828 55 D CB -0.764 40.002 40.800 -0.058 0.000 1.049 55 D HN 0.495 nan 8.370 nan 0.000 0.490 56 H N 1.869 120.902 119.070 -0.062 0.000 2.928 56 H HA 0.063 4.620 4.556 0.002 0.000 0.338 56 H C -1.487 173.812 175.328 -0.048 0.000 1.047 56 H CA -0.837 55.167 56.048 -0.074 0.000 1.435 56 H CB 1.559 31.268 29.762 -0.088 0.000 1.428 56 H HN -0.149 nan 8.280 nan 0.000 0.590 57 P HA -0.146 nan 4.420 nan 0.000 0.217 57 P C 0.704 178.126 177.300 0.204 0.000 1.148 57 P CA 1.394 64.541 63.100 0.078 0.000 0.834 57 P CB 0.365 32.065 31.700 0.000 0.000 0.783 58 D N -2.066 118.579 120.400 0.409 0.000 2.339 58 D HA 0.120 4.761 4.640 0.002 0.000 0.217 58 D C 1.562 177.899 176.300 0.061 0.000 1.050 58 D CA 0.593 54.701 54.000 0.180 0.000 0.856 58 D CB 0.380 41.271 40.800 0.153 0.000 0.922 58 D HN 0.253 nan 8.370 nan 0.000 0.518 59 L N -0.500 120.768 121.223 0.074 0.000 2.806 59 L HA 0.259 4.600 4.340 0.002 0.000 0.242 59 L C 2.312 179.198 176.870 0.026 0.000 1.068 59 L CA 0.193 55.041 54.840 0.012 0.000 0.923 59 L CB -0.105 41.936 42.059 -0.031 0.000 1.364 59 L HN -0.182 nan 8.230 nan 0.000 0.511 60 A N 0.365 123.213 122.820 0.047 0.000 1.958 60 A HA -0.239 4.082 4.320 0.002 0.000 0.221 60 A C 2.095 179.692 177.584 0.023 0.000 1.178 60 A CA 1.874 53.930 52.037 0.031 0.000 0.642 60 A CB -0.305 18.709 19.000 0.023 0.000 0.816 60 A HN 0.339 nan 8.150 nan 0.000 0.453 61 E N -1.154 119.057 120.200 0.019 0.000 2.442 61 E HA -0.008 4.343 4.350 0.002 0.000 0.195 61 E C 1.740 178.346 176.600 0.011 0.000 1.030 61 E CA 0.048 56.456 56.400 0.014 0.000 0.869 61 E CB 0.019 29.725 29.700 0.009 0.000 0.857 61 E HN 0.370 nan 8.360 nan 0.000 0.505 62 R N -0.084 120.419 120.500 0.005 0.000 2.210 62 R HA 0.185 4.526 4.340 0.002 0.000 0.203 62 R C 0.818 177.121 176.300 0.004 0.000 1.010 62 R CA 0.041 56.141 56.100 -0.001 0.000 1.008 62 R CB 0.045 30.336 30.300 -0.016 0.000 0.923 62 R HN 0.104 nan 8.270 nan 0.000 0.469 63 I N 2.051 122.624 120.570 0.005 0.000 2.371 63 I HA 0.055 4.226 4.170 0.002 0.000 0.290 63 I C 1.141 177.262 176.117 0.008 0.000 1.028 63 I CA -0.147 61.145 61.300 -0.013 0.000 1.345 63 I CB 1.052 39.052 38.000 0.000 0.000 1.407 63 I HN -0.035 nan 8.210 nan 0.000 0.501 64 I N 2.637 123.208 120.570 0.002 0.000 4.025 64 I HA 0.691 4.863 4.170 0.002 0.000 0.336 64 I C 0.587 176.748 176.117 0.074 0.000 1.390 64 I CA -0.177 61.173 61.300 0.084 0.000 1.099 64 I CB 0.099 38.205 38.000 0.176 0.000 1.049 64 I HN 0.567 nan 8.210 nan 0.000 0.394 65 G N -0.910 107.772 108.800 -0.196 0.000 2.337 65 G HA2 0.531 4.492 3.960 0.002 0.000 0.298 65 G HA3 0.531 4.492 3.960 0.002 0.000 0.298 65 G C -0.946 172.973 174.900 -1.635 0.000 1.335 65 G CA -0.176 44.642 45.100 -0.470 0.000 0.875 65 G HN 0.648 nan 8.290 nan 0.000 0.579 66 G N -2.376 105.155 108.800 -2.114 0.000 2.489 66 G HA2 0.808 4.770 3.960 0.002 0.000 0.305 66 G HA3 0.808 4.770 3.960 0.002 0.000 0.305 66 G C -1.870 172.206 174.900 -1.373 0.000 1.311 66 G CA 0.351 43.786 45.100 -2.775 0.000 0.813 66 G HN 1.923 nan 8.290 nan 0.000 0.480 67 V N 0.005 119.432 119.914 -0.811 0.000 2.950 67 V HA 0.621 4.743 4.120 0.002 0.000 0.295 67 V C -1.661 174.363 176.094 -0.118 0.000 1.297 67 V CA -0.981 61.179 62.300 -0.233 0.000 0.962 67 V CB 2.197 33.823 31.823 -0.328 0.000 1.081 67 V HN 0.936 nan 8.190 nan 0.000 0.432 68 N N 5.201 123.896 118.700 -0.009 0.000 2.439 68 N HA 0.442 5.183 4.740 0.002 0.000 0.249 68 N C 0.209 175.596 175.510 -0.205 0.000 1.003 68 N CA -0.287 52.727 53.050 -0.060 0.000 0.942 68 N CB 1.062 39.582 38.487 0.055 0.000 1.115 68 N HN 0.675 nan 8.380 nan 0.000 0.505 69 L N 1.327 122.360 121.223 -0.317 0.000 2.653 69 L HA 0.236 4.577 4.340 0.002 0.000 0.231 69 L C 0.870 177.195 176.870 -0.909 0.000 1.153 69 L CA 0.027 54.591 54.840 -0.459 0.000 0.933 69 L CB 0.002 41.843 42.059 -0.363 0.000 1.175 69 L HN 0.424 nan 8.230 nan 0.000 0.473 70 T N -0.793 113.269 114.554 -0.820 0.000 2.923 70 T HA 0.195 4.547 4.350 0.002 0.000 0.281 70 T C 1.284 175.583 174.700 -0.668 0.000 0.995 70 T CA -0.066 61.341 62.100 -1.155 0.000 0.985 70 T CB 1.654 70.138 68.868 -0.641 0.000 1.114 70 T HN 0.253 nan 8.240 nan 0.000 0.548 71 T N -1.062 113.223 114.554 -0.448 0.000 3.107 71 T HA 0.182 4.534 4.350 0.002 0.000 0.249 71 T C 0.109 174.719 174.700 -0.150 0.000 1.096 71 T CA -0.363 61.648 62.100 -0.148 0.000 1.012 71 T CB -0.140 68.765 68.868 0.062 0.000 0.977 71 T HN 0.370 nan 8.240 nan 0.000 0.527 72 D N 1.793 122.028 120.400 -0.275 0.000 2.382 72 D HA 0.190 4.831 4.640 0.002 0.000 0.240 72 D C 0.361 176.411 176.300 -0.415 0.000 1.146 72 D CA -0.004 53.724 54.000 -0.454 0.000 0.897 72 D CB 0.056 40.364 40.800 -0.819 0.000 1.197 72 D HN 0.293 nan 8.370 nan 0.000 0.432 73 Y N -0.503 119.773 120.300 -0.039 0.000 4.899 73 Y HA -0.260 4.291 4.550 0.002 0.000 0.241 73 Y C 1.482 177.357 175.900 -0.042 0.000 0.976 73 Y CA 1.089 59.162 58.100 -0.045 0.000 1.952 73 Y CB -1.829 36.593 38.460 -0.063 0.000 1.496 73 Y HN 0.659 nan 8.280 nan 0.000 0.545 74 G N -1.843 106.988 108.800 0.052 0.000 4.399 74 G HA2 0.210 4.171 3.960 0.002 0.000 0.158 74 G HA3 0.210 4.171 3.960 0.002 0.000 0.158 74 G C 0.564 175.462 174.900 -0.003 0.000 1.911 74 G CA -0.182 44.936 45.100 0.030 0.000 0.926 74 G HN 0.974 nan 8.290 nan 0.000 0.292 75 G N 1.581 110.361 108.800 -0.035 0.000 2.394 75 G HA2 0.428 4.390 3.960 0.002 0.000 0.298 75 G HA3 0.428 4.390 3.960 0.002 0.000 0.298 75 G C -0.529 174.366 174.900 -0.009 0.000 1.087 75 G CA 0.410 45.482 45.100 -0.046 0.000 1.035 75 G HN 0.286 nan 8.290 nan 0.000 0.420 76 D N 2.556 122.981 120.400 0.041 0.000 2.426 76 D HA -0.065 4.577 4.640 0.002 0.000 0.261 76 D C 1.589 177.913 176.300 0.040 0.000 1.245 76 D CA -0.068 53.954 54.000 0.037 0.000 0.917 76 D CB 0.699 41.522 40.800 0.038 0.000 1.123 76 D HN 0.656 nan 8.370 nan 0.000 0.508 77 E N 1.524 121.736 120.200 0.021 0.000 2.502 77 E HA -0.052 4.299 4.350 0.002 0.000 0.194 77 E C 0.894 177.544 176.600 0.083 0.000 1.062 77 E CA 0.236 56.649 56.400 0.022 0.000 0.867 77 E CB -0.140 29.556 29.700 -0.006 0.000 0.888 77 E HN 0.332 nan 8.360 nan 0.000 0.510 78 T N 1.227 115.819 114.554 0.063 0.000 3.067 78 T HA -0.045 4.306 4.350 0.002 0.000 0.261 78 T C 0.626 175.279 174.700 -0.077 0.000 1.110 78 T CA 0.393 62.529 62.100 0.060 0.000 1.113 78 T CB -0.127 68.742 68.868 0.002 0.000 0.917 78 T HN 0.030 nan 8.240 nan 0.000 0.499 79 N N 1.523 120.173 118.700 -0.083 0.000 2.609 79 N HA 0.227 4.968 4.740 0.002 0.000 0.234 79 N C -0.666 174.784 175.510 -0.100 0.000 1.001 79 N CA -1.073 51.814 53.050 -0.271 0.000 0.926 79 N CB 0.131 38.424 38.487 -0.324 0.000 1.130 79 N HN 0.280 nan 8.380 nan 0.000 0.510 80 F N 0.744 120.636 119.950 -0.097 0.000 2.850 80 F HA 0.443 4.972 4.527 0.002 0.000 0.306 80 F C 0.678 176.448 175.800 -0.050 0.000 1.162 80 F CA -1.133 56.834 58.000 -0.055 0.000 1.327 80 F CB -0.879 38.036 39.000 -0.142 0.000 0.953 80 F HN 0.105 nan 8.300 nan 0.000 0.507 81 S N -0.583 115.027 115.700 -0.149 0.000 2.593 81 S HA 0.176 4.647 4.470 0.002 0.000 0.269 81 S C -0.394 174.254 174.600 0.080 0.000 1.334 81 S CA -0.633 57.498 58.200 -0.114 0.000 1.015 81 S CB 1.304 64.333 63.200 -0.285 0.000 0.912 81 S HN 0.319 nan 8.310 nan 0.000 0.541 82 D N 0.045 120.470 120.400 0.042 0.000 2.317 82 D HA 0.228 4.869 4.640 0.002 0.000 0.234 82 D C 0.334 176.669 176.300 0.058 0.000 1.112 82 D CA -0.603 53.432 54.000 0.059 0.000 0.840 82 D CB 0.275 41.072 40.800 -0.006 0.000 1.078 82 D HN 0.786 nan 8.370 nan 0.000 0.486 83 N N 2.368 121.130 118.700 0.104 0.000 2.234 83 N HA 0.029 4.770 4.740 0.002 0.000 0.227 83 N C 0.460 176.000 175.510 0.051 0.000 1.151 83 N CA -0.478 52.621 53.050 0.083 0.000 0.865 83 N CB 0.512 39.069 38.487 0.116 0.000 1.066 83 N HN 0.150 nan 8.380 nan 0.000 0.515 84 N N 0.585 119.312 118.700 0.046 0.000 2.672 84 N HA 0.084 4.826 4.740 0.002 0.000 0.229 84 N C 1.237 176.762 175.510 0.024 0.000 1.043 84 N CA 1.650 54.747 53.050 0.079 0.000 0.932 84 N CB 0.883 39.452 38.487 0.138 0.000 1.500 84 N HN 0.370 nan 8.380 nan 0.000 0.445 85 G N 0.314 109.066 108.800 -0.080 0.000 2.339 85 G HA2 -0.246 3.716 3.960 0.002 0.000 0.209 85 G HA3 -0.246 3.716 3.960 0.002 0.000 0.209 85 G C 0.931 175.825 174.900 -0.010 0.000 1.015 85 G CA 0.478 45.346 45.100 -0.385 0.000 0.635 85 G HN 0.532 nan 8.290 nan 0.000 0.499 86 H N 1.469 120.590 119.070 0.085 0.000 2.321 86 H HA -0.065 4.492 4.556 0.002 0.000 0.300 86 H C 2.772 178.127 175.328 0.045 0.000 1.087 86 H CA 2.590 58.669 56.048 0.052 0.000 1.319 86 H CB -0.577 29.165 29.762 -0.033 0.000 1.379 86 H HN 0.446 nan 8.280 nan 0.000 0.501 87 G N -0.463 108.363 108.800 0.043 0.000 2.469 87 G HA2 -0.272 3.689 3.960 0.002 0.000 0.220 87 G HA3 -0.272 3.689 3.960 0.002 0.000 0.220 87 G C 1.741 176.606 174.900 -0.058 0.000 1.136 87 G CA 1.367 46.462 45.100 -0.008 0.000 0.759 87 G HN 0.422 nan 8.290 nan 0.000 0.562 88 T N -0.645 113.880 114.554 -0.047 0.000 2.867 88 T HA -0.064 4.287 4.350 0.002 0.000 0.268 88 T C 1.978 176.643 174.700 -0.059 0.000 1.057 88 T CA 1.404 63.464 62.100 -0.066 0.000 1.136 88 T CB -0.238 68.579 68.868 -0.085 0.000 0.874 88 T HN 0.581 nan 8.240 nan 0.000 0.466 89 H N 0.243 119.251 119.070 -0.103 0.000 2.395 89 H HA 0.041 4.598 4.556 0.002 0.000 0.299 89 H C 2.051 177.256 175.328 -0.205 0.000 1.070 89 H CA 0.963 56.951 56.048 -0.100 0.000 1.356 89 H CB -0.065 29.664 29.762 -0.055 0.000 1.401 89 H HN 0.086 nan 8.280 nan 0.000 0.524 90 V N 0.597 120.422 119.914 -0.148 0.000 2.307 90 V HA -0.240 3.881 4.120 0.002 0.000 0.245 90 V C 2.684 178.706 176.094 -0.121 0.000 1.045 90 V CA 1.480 63.686 62.300 -0.157 0.000 1.024 90 V CB -1.095 30.621 31.823 -0.178 0.000 0.651 90 V HN 0.665 nan 8.190 nan 0.000 0.449 91 A N 0.748 123.502 122.820 -0.110 0.000 1.873 91 A HA -0.185 4.136 4.320 0.002 0.000 0.218 91 A C 2.443 179.961 177.584 -0.111 0.000 1.193 91 A CA 2.310 54.290 52.037 -0.095 0.000 0.629 91 A CB -1.426 17.521 19.000 -0.089 0.000 0.826 91 A HN 0.534 nan 8.150 nan 0.000 0.447 92 G N -1.559 107.149 108.800 -0.153 0.000 2.418 92 G HA2 -0.157 3.804 3.960 0.002 0.000 0.217 92 G HA3 -0.157 3.804 3.960 0.002 0.000 0.217 92 G C 1.577 176.393 174.900 -0.140 0.000 1.158 92 G CA 1.669 46.674 45.100 -0.158 0.000 0.771 92 G HN 0.438 nan 8.290 nan 0.000 0.545 93 T N 0.839 115.280 114.554 -0.188 0.000 2.684 93 T HA -0.139 4.212 4.350 0.002 0.000 0.267 93 T C 2.586 177.203 174.700 -0.139 0.000 1.036 93 T CA 1.415 63.390 62.100 -0.207 0.000 1.148 93 T CB -0.280 68.386 68.868 -0.337 0.000 0.863 93 T HN 0.081 nan 8.240 nan 0.000 0.436 94 V N 0.863 120.712 119.914 -0.108 0.000 2.237 94 V HA -0.010 4.111 4.120 0.002 0.000 0.245 94 V C 2.052 178.136 176.094 -0.017 0.000 1.046 94 V CA 1.816 64.086 62.300 -0.051 0.000 1.007 94 V CB -0.604 31.197 31.823 -0.037 0.000 0.638 94 V HN 0.569 nan 8.190 nan 0.000 0.445 95 A N -1.388 121.411 122.820 -0.033 0.000 2.538 95 A HA 0.711 5.033 4.320 0.002 0.000 0.276 95 A C 0.628 178.187 177.584 -0.042 0.000 0.908 95 A CA 0.343 52.363 52.037 -0.028 0.000 1.042 95 A CB -0.229 18.756 19.000 -0.025 0.000 1.218 95 A HN 0.541 nan 8.150 nan 0.000 0.517 96 A N 0.678 123.472 122.820 -0.043 0.000 2.561 96 A HA 0.513 4.834 4.320 0.002 0.000 0.234 96 A C 0.932 178.494 177.584 -0.036 0.000 1.055 96 A CA 0.599 52.614 52.037 -0.037 0.000 0.756 96 A CB -0.143 18.840 19.000 -0.028 0.000 0.986 96 A HN 1.766 nan 8.150 nan 0.000 0.505 97 A N 2.023 124.826 122.820 -0.029 0.000 2.386 97 A HA 0.421 4.742 4.320 0.002 0.000 0.248 97 A C 0.345 177.903 177.584 -0.044 0.000 1.082 97 A CA -0.336 51.672 52.037 -0.049 0.000 0.789 97 A CB 0.086 19.071 19.000 -0.025 0.000 1.025 97 A HN 0.818 nan 8.150 nan 0.000 0.490 98 E N 1.113 121.260 120.200 -0.088 0.000 1.932 98 E HA 0.178 4.529 4.350 0.002 0.000 0.275 98 E C 0.080 176.662 176.600 -0.030 0.000 1.159 98 E CA 0.146 56.507 56.400 -0.066 0.000 0.905 98 E CB 0.187 29.811 29.700 -0.127 0.000 1.059 98 E HN 0.715 nan 8.360 nan 0.000 0.400 99 T N -0.531 114.024 114.554 0.001 0.000 3.044 99 T HA 0.242 4.593 4.350 0.002 0.000 0.260 99 T C 1.401 176.111 174.700 0.017 0.000 1.019 99 T CA 0.014 62.122 62.100 0.012 0.000 0.921 99 T CB 0.754 69.641 68.868 0.033 0.000 1.053 99 T HN 0.566 nan 8.240 nan 0.000 0.533 100 G N 1.734 110.543 108.800 0.016 0.000 2.184 100 G HA2 -0.255 3.706 3.960 0.002 0.000 0.264 100 G HA3 -0.255 3.706 3.960 0.002 0.000 0.264 100 G C 0.264 175.177 174.900 0.020 0.000 0.975 100 G CA 0.609 45.720 45.100 0.018 0.000 0.642 100 G HN 1.391 nan 8.290 nan 0.000 0.536 101 S N -1.689 114.028 115.700 0.029 0.000 2.671 101 S HA 0.914 5.385 4.470 0.002 0.000 0.277 101 S C 0.969 175.599 174.600 0.050 0.000 1.165 101 S CA 0.703 58.922 58.200 0.032 0.000 0.822 101 S CB 1.646 64.872 63.200 0.044 0.000 1.150 101 S HN 2.363 nan 8.310 nan 0.000 0.479 102 G N 0.308 109.124 108.800 0.027 0.000 2.564 102 G HA2 -0.134 3.828 3.960 0.002 0.000 0.273 102 G HA3 -0.134 3.828 3.960 0.002 0.000 0.273 102 G C -0.348 174.515 174.900 -0.062 0.000 1.242 102 G CA -0.031 45.069 45.100 0.000 0.000 0.951 102 G HN 1.619 nan 8.290 nan 0.000 0.564 103 V N -0.152 119.772 119.914 0.017 0.000 2.850 103 V HA 0.722 4.843 4.120 0.002 0.000 0.315 103 V C 0.349 176.469 176.094 0.042 0.000 1.064 103 V CA 0.105 62.407 62.300 0.003 0.000 0.979 103 V CB 1.610 33.446 31.823 0.021 0.000 1.039 103 V HN 1.698 nan 8.190 nan 0.000 0.452 104 V N 2.725 122.674 119.914 0.058 0.000 2.588 104 V HA 0.900 5.021 4.120 0.002 0.000 0.304 104 V C 0.328 176.489 176.094 0.112 0.000 1.042 104 V CA 0.268 62.613 62.300 0.075 0.000 0.877 104 V CB 1.384 33.272 31.823 0.108 0.000 0.996 104 V HN 0.969 nan 8.190 nan 0.000 0.425 105 G N 3.775 112.615 108.800 0.066 0.000 2.611 105 G HA2 0.377 4.338 3.960 0.002 0.000 0.273 105 G HA3 0.377 4.338 3.960 0.002 0.000 0.273 105 G C 0.815 175.853 174.900 0.230 0.000 1.305 105 G CA 0.226 45.377 45.100 0.084 0.000 1.010 105 G HN 0.909 nan 8.290 nan 0.000 0.509 106 V N 0.509 120.541 119.914 0.197 0.000 2.323 106 V HA 0.107 4.228 4.120 0.002 0.000 0.244 106 V C 2.038 178.366 176.094 0.389 0.000 1.041 106 V CA 2.009 64.497 62.300 0.313 0.000 1.025 106 V CB -0.358 31.581 31.823 0.194 0.000 0.656 106 V HN 0.779 nan 8.190 nan 0.000 0.451 107 A N 1.103 124.023 122.820 0.167 0.000 3.056 107 A HA 0.488 4.810 4.320 0.002 0.000 0.328 107 A C -1.549 175.998 177.584 -0.062 0.000 1.233 107 A CA -1.096 50.980 52.037 0.066 0.000 0.965 107 A CB 0.121 19.158 19.000 0.061 0.000 1.123 107 A HN 0.352 nan 8.150 nan 0.000 0.502 108 P HA -0.011 nan 4.420 nan 0.000 0.244 108 P C 0.429 177.607 177.300 -0.204 0.000 1.211 108 P CA 0.988 63.946 63.100 -0.237 0.000 0.760 108 P CB 0.118 31.549 31.700 -0.448 0.000 0.961 109 K N -1.473 118.826 120.400 -0.168 0.000 2.517 109 K HA 0.325 4.646 4.320 0.002 0.000 0.210 109 K C 0.593 177.162 176.600 -0.052 0.000 1.166 109 K CA -0.172 56.048 56.287 -0.112 0.000 1.030 109 K CB 0.855 33.276 32.500 -0.132 0.000 0.974 109 K HN -0.033 nan 8.250 nan 0.000 0.585 110 A N 0.899 123.698 122.820 -0.035 0.000 2.327 110 A HA 0.252 4.573 4.320 0.002 0.000 0.255 110 A C -0.551 177.038 177.584 0.008 0.000 1.099 110 A CA -0.065 51.972 52.037 0.000 0.000 0.801 110 A CB 0.260 19.268 19.000 0.014 0.000 1.062 110 A HN 0.129 nan 8.150 nan 0.000 0.496 111 D N -0.335 120.084 120.400 0.032 0.000 2.268 111 D HA 0.586 5.228 4.640 0.002 0.000 0.249 111 D C -0.727 175.594 176.300 0.036 0.000 1.008 111 D CA 0.033 54.057 54.000 0.040 0.000 0.939 111 D CB 1.357 42.203 40.800 0.076 0.000 1.170 111 D HN 0.357 nan 8.370 nan 0.000 0.468 112 L N 1.258 122.490 121.223 0.015 0.000 2.333 112 L HA 0.423 4.764 4.340 0.002 0.000 0.280 112 L C -0.835 176.007 176.870 -0.047 0.000 1.004 112 L CA -0.923 53.910 54.840 -0.012 0.000 0.820 112 L CB 1.419 43.453 42.059 -0.041 0.000 1.247 112 L HN 0.213 nan 8.230 nan 0.000 0.416 113 F N 5.088 124.910 119.950 -0.214 0.000 2.361 113 F HA 0.484 5.012 4.527 0.002 0.000 0.364 113 F C 0.012 175.599 175.800 -0.355 0.000 1.117 113 F CA -0.744 57.031 58.000 -0.375 0.000 1.071 113 F CB 0.790 39.458 39.000 -0.553 0.000 1.188 113 F HN 0.200 nan 8.300 nan 0.000 0.464 114 I N 8.076 128.192 120.570 -0.758 0.000 2.337 114 I HA 0.185 4.356 4.170 0.002 0.000 0.291 114 I C -0.093 175.697 176.117 -0.545 0.000 1.046 114 I CA -0.146 60.844 61.300 -0.518 0.000 1.324 114 I CB 0.727 38.475 38.000 -0.421 0.000 1.409 114 I HN 0.536 nan 8.210 nan 0.000 0.494 115 I N 6.532 126.987 120.570 -0.192 0.000 2.412 115 I HA 0.192 4.363 4.170 0.002 0.000 0.279 115 I C 0.687 176.764 176.117 -0.066 0.000 1.063 115 I CA -0.594 60.634 61.300 -0.120 0.000 1.193 115 I CB 0.642 38.639 38.000 -0.005 0.000 1.370 115 I HN 0.503 nan 8.210 nan 0.000 0.479 116 K N 5.216 125.579 120.400 -0.060 0.000 2.079 116 K HA 0.252 4.573 4.320 0.002 0.000 0.255 116 K C 0.781 177.347 176.600 -0.057 0.000 1.114 116 K CA 0.021 56.302 56.287 -0.010 0.000 1.056 116 K CB 0.394 32.921 32.500 0.046 0.000 1.176 116 K HN 0.765 nan 8.250 nan 0.000 0.353 117 A N 5.359 128.182 122.820 0.005 0.000 2.430 117 A HA 0.265 4.586 4.320 0.002 0.000 0.243 117 A C -0.167 177.544 177.584 0.211 0.000 1.254 117 A CA -0.296 51.772 52.037 0.051 0.000 0.914 117 A CB 0.264 19.323 19.000 0.098 0.000 0.998 117 A HN 0.573 nan 8.150 nan 0.000 0.515 118 L N -0.411 120.909 121.223 0.161 0.000 2.381 118 L HA 0.442 4.783 4.340 0.002 0.000 0.268 118 L C 0.153 177.115 176.870 0.153 0.000 0.997 118 L CA -0.585 54.390 54.840 0.225 0.000 0.818 118 L CB 2.204 44.374 42.059 0.185 0.000 1.310 118 L HN 0.024 nan 8.230 nan 0.000 0.416 119 S N 0.548 116.367 115.700 0.199 0.000 2.624 119 S HA 0.159 4.630 4.470 0.002 0.000 0.263 119 S C 1.262 175.899 174.600 0.062 0.000 1.287 119 S CA 0.176 58.436 58.200 0.101 0.000 0.990 119 S CB 1.423 64.714 63.200 0.151 0.000 0.950 119 S HN 0.895 nan 8.310 nan 0.000 0.561 120 G N 1.522 110.327 108.800 0.008 0.000 2.503 120 G HA2 -0.293 3.668 3.960 0.002 0.000 0.221 120 G HA3 -0.293 3.668 3.960 0.002 0.000 0.221 120 G C 0.927 175.861 174.900 0.058 0.000 1.131 120 G CA 1.401 46.516 45.100 0.025 0.000 0.756 120 G HN 0.864 nan 8.290 nan 0.000 0.572 121 D N -0.393 120.042 120.400 0.058 0.000 2.378 121 D HA 0.194 4.835 4.640 0.002 0.000 0.227 121 D C 1.732 178.080 176.300 0.080 0.000 1.012 121 D CA 0.922 54.959 54.000 0.062 0.000 0.905 121 D CB -0.680 40.150 40.800 0.051 0.000 0.895 121 D HN 0.680 nan 8.370 nan 0.000 0.532 122 G N -0.261 108.599 108.800 0.099 0.000 2.141 122 G HA2 -0.230 3.732 3.960 0.002 0.000 0.242 122 G HA3 -0.230 3.732 3.960 0.002 0.000 0.242 122 G C 0.218 175.195 174.900 0.128 0.000 0.982 122 G CA 0.404 45.572 45.100 0.113 0.000 0.662 122 G HN 0.899 nan 8.290 nan 0.000 0.527 123 S N -0.883 114.899 115.700 0.137 0.000 2.621 123 S HA 0.930 5.401 4.470 0.002 0.000 0.302 123 S C 0.089 174.806 174.600 0.195 0.000 1.093 123 S CA 0.113 58.402 58.200 0.149 0.000 1.017 123 S CB 2.806 66.067 63.200 0.101 0.000 1.077 123 S HN 1.814 nan 8.310 nan 0.000 0.517 124 G N 0.459 109.364 108.800 0.176 0.000 2.696 124 G HA2 0.539 4.500 3.960 0.002 0.000 0.295 124 G HA3 0.539 4.500 3.960 0.002 0.000 0.295 124 G C -1.423 173.374 174.900 -0.172 0.000 1.398 124 G CA -0.897 44.292 45.100 0.148 0.000 0.920 124 G HN 0.752 nan 8.290 nan 0.000 0.492 125 E N 1.023 120.736 120.200 -0.811 0.000 2.373 125 E HA 0.131 4.482 4.350 0.002 0.000 0.267 125 E C 1.446 177.731 176.600 -0.524 0.000 1.032 125 E CA -0.360 55.553 56.400 -0.813 0.000 0.889 125 E CB 1.427 30.245 29.700 -1.470 0.000 0.984 125 E HN 0.598 nan 8.360 nan 0.000 0.425 126 M N 1.679 121.005 119.600 -0.457 0.000 2.279 126 M HA 0.005 4.486 4.480 0.002 0.000 0.264 126 M C 1.609 177.706 176.300 -0.339 0.000 1.062 126 M CA 2.055 56.959 55.300 -0.661 0.000 1.099 126 M CB -0.538 31.552 32.600 -0.852 0.000 1.394 126 M HN 0.493 nan 8.290 nan 0.000 0.426 127 G N -0.663 107.997 108.800 -0.233 0.000 2.470 127 G HA2 -0.147 3.814 3.960 0.002 0.000 0.220 127 G HA3 -0.147 3.814 3.960 0.002 0.000 0.220 127 G C 0.879 175.855 174.900 0.126 0.000 1.121 127 G CA 0.586 45.653 45.100 -0.056 0.000 0.766 127 G HN 0.610 nan 8.290 nan 0.000 0.553 128 W N 0.485 121.739 121.300 -0.077 0.000 2.453 128 W HA 0.273 4.934 4.660 0.001 0.000 0.289 128 W C 2.397 178.888 176.519 -0.047 0.000 1.215 128 W CA -0.254 57.060 57.345 -0.050 0.000 1.297 128 W CB -0.765 28.671 29.460 -0.040 0.000 1.113 128 W HN 0.171 nan 8.180 nan 0.000 0.551 129 I N 0.263 120.920 120.570 0.145 0.000 2.286 129 I HA -0.198 3.973 4.170 0.002 0.000 0.245 129 I C 2.565 178.718 176.117 0.061 0.000 1.104 129 I CA 1.287 62.631 61.300 0.074 0.000 1.397 129 I CB -1.030 36.961 38.000 -0.016 0.000 1.072 129 I HN -0.180 nan 8.210 nan 0.000 0.417 130 A N 1.035 123.866 122.820 0.019 0.000 1.873 130 A HA -0.289 4.032 4.320 0.002 0.000 0.218 130 A C 2.412 180.045 177.584 0.081 0.000 1.193 130 A CA 2.074 54.132 52.037 0.036 0.000 0.629 130 A CB -0.599 18.399 19.000 -0.002 0.000 0.826 130 A HN 0.337 nan 8.150 nan 0.000 0.447 131 K N -0.554 119.908 120.400 0.104 0.000 2.211 131 K HA -0.021 4.300 4.320 0.002 0.000 0.203 131 K C 2.142 178.838 176.600 0.160 0.000 1.050 131 K CA 0.952 57.316 56.287 0.130 0.000 0.945 131 K CB -0.278 32.299 32.500 0.128 0.000 0.732 131 K HN 0.409 nan 8.250 nan 0.000 0.451 132 A N 1.498 124.392 122.820 0.124 0.000 1.858 132 A HA -0.161 4.160 4.320 0.002 0.000 0.216 132 A C 2.045 179.726 177.584 0.162 0.000 1.190 132 A CA 1.489 53.594 52.037 0.113 0.000 0.617 132 A CB -0.570 18.482 19.000 0.087 0.000 0.827 132 A HN 0.284 nan 8.150 nan 0.000 0.443 133 I N -0.767 119.889 120.570 0.144 0.000 2.142 133 I HA -0.289 3.882 4.170 0.002 0.000 0.240 133 I C 2.789 179.014 176.117 0.181 0.000 1.078 133 I CA 1.626 63.013 61.300 0.145 0.000 1.343 133 I CB -0.371 37.711 38.000 0.136 0.000 1.046 133 I HN 0.267 nan 8.210 nan 0.000 0.405 134 R N -0.468 120.155 120.500 0.206 0.000 2.096 134 R HA -0.221 4.121 4.340 0.002 0.000 0.235 134 R C 2.385 178.825 176.300 0.233 0.000 1.127 134 R CA 1.734 57.991 56.100 0.260 0.000 0.968 134 R CB -0.635 29.754 30.300 0.150 0.000 0.861 134 R HN 0.363 nan 8.270 nan 0.000 0.440 135 Y N 1.272 121.627 120.300 0.091 0.000 2.145 135 Y HA -0.258 4.293 4.550 0.002 0.000 0.286 135 Y C 2.423 178.337 175.900 0.024 0.000 1.145 135 Y CA 1.600 59.737 58.100 0.062 0.000 1.148 135 Y CB -0.277 38.206 38.460 0.039 0.000 0.981 135 Y HN 0.073 nan 8.280 nan 0.000 0.507 136 A N -0.849 122.083 122.820 0.188 0.000 1.940 136 A HA -0.182 4.139 4.320 0.002 0.000 0.219 136 A C 2.236 179.831 177.584 0.017 0.000 1.176 136 A CA 2.050 54.109 52.037 0.036 0.000 0.631 136 A CB -1.262 17.768 19.000 0.050 0.000 0.814 136 A HN 0.340 nan 8.150 nan 0.000 0.446 137 V N 0.097 120.038 119.914 0.045 0.000 2.667 137 V HA -0.134 3.988 4.120 0.002 0.000 0.252 137 V C 1.369 177.450 176.094 -0.021 0.000 1.065 137 V CA 2.043 64.337 62.300 -0.010 0.000 1.083 137 V CB -0.540 31.253 31.823 -0.051 0.000 0.692 137 V HN 0.453 nan 8.190 nan 0.000 0.468 138 D N -2.249 118.155 120.400 0.007 0.000 2.369 138 D HA 0.056 4.698 4.640 0.002 0.000 0.211 138 D C 0.218 176.466 176.300 -0.087 0.000 1.077 138 D CA -0.206 53.781 54.000 -0.023 0.000 0.842 138 D CB 0.135 40.937 40.800 0.004 0.000 0.947 138 D HN 0.585 nan 8.370 nan 0.000 0.509 139 W N 2.657 123.771 121.300 -0.311 0.000 2.322 139 W HA 0.315 4.976 4.660 0.002 0.000 0.307 139 W C -0.212 176.160 176.519 -0.244 0.000 1.220 139 W CA -0.598 56.528 57.345 -0.365 0.000 1.210 139 W CB 0.629 29.757 29.460 -0.553 0.000 1.223 139 W HN -0.379 nan 8.180 nan 0.000 0.511 140 R N 4.622 124.563 120.500 -0.933 0.000 2.460 140 R HA 0.547 4.888 4.340 0.002 0.000 0.303 140 R C 0.322 175.718 176.300 -1.507 0.000 0.968 140 R CA -0.782 54.743 56.100 -0.959 0.000 0.889 140 R CB 1.132 31.133 30.300 -0.497 0.000 1.123 140 R HN 0.776 nan 8.270 nan 0.000 0.455 141 G N 1.741 109.809 108.800 -1.219 0.000 2.522 141 G HA2 0.345 4.307 3.960 0.002 0.000 0.304 141 G HA3 0.345 4.307 3.960 0.002 0.000 0.304 141 G C -1.737 172.969 174.900 -0.325 0.000 1.210 141 G CA -1.303 43.341 45.100 -0.760 0.000 0.960 141 G HN 0.222 nan 8.290 nan 0.000 0.497 142 P HA -0.096 nan 4.420 nan 0.000 0.216 142 P C 1.675 178.933 177.300 -0.070 0.000 1.153 142 P CA 1.245 64.305 63.100 -0.067 0.000 0.858 142 P CB 0.259 31.960 31.700 0.002 0.000 0.789 143 K N -1.851 118.512 120.400 -0.062 0.000 2.148 143 K HA 0.050 4.372 4.320 0.002 0.000 0.204 143 K C 1.513 178.064 176.600 -0.081 0.000 1.050 143 K CA 1.675 57.930 56.287 -0.054 0.000 0.942 143 K CB -0.564 31.916 32.500 -0.034 0.000 0.724 143 K HN 0.279 nan 8.250 nan 0.000 0.446 144 G N -0.597 108.126 108.800 -0.128 0.000 2.935 144 G HA2 -0.152 3.809 3.960 0.002 0.000 0.213 144 G HA3 -0.152 3.809 3.960 0.002 0.000 0.213 144 G C -0.829 173.950 174.900 -0.202 0.000 0.984 144 G CA -0.159 44.849 45.100 -0.153 0.000 0.790 144 G HN 0.334 nan 8.290 nan 0.000 0.538 145 E N 0.772 120.855 120.200 -0.194 0.000 2.485 145 E HA 0.342 4.693 4.350 0.002 0.000 0.266 145 E C 0.435 176.906 176.600 -0.215 0.000 1.137 145 E CA 0.833 57.141 56.400 -0.153 0.000 1.010 145 E CB 0.055 29.715 29.700 -0.067 0.000 0.986 145 E HN 0.754 nan 8.360 nan 0.000 0.460 146 Q N -0.238 119.539 119.800 -0.039 0.000 2.578 146 Q HA 0.415 4.756 4.340 0.002 0.000 0.284 146 Q C -1.300 174.776 176.000 0.127 0.000 0.960 146 Q CA -0.875 54.955 55.803 0.045 0.000 0.809 146 Q CB 0.910 29.625 28.738 -0.038 0.000 1.462 146 Q HN 0.451 nan 8.270 nan 0.000 0.392 147 M N 1.589 121.279 119.600 0.150 0.000 2.185 147 M HA 0.332 4.814 4.480 0.002 0.000 0.357 147 M C 0.600 176.925 176.300 0.043 0.000 1.260 147 M CA -0.223 55.130 55.300 0.089 0.000 1.124 147 M CB 0.777 33.408 32.600 0.052 0.000 1.600 147 M HN 0.543 nan 8.290 nan 0.000 0.467 148 R N 2.891 123.415 120.500 0.040 0.000 2.365 148 R HA 0.406 4.748 4.340 0.002 0.000 0.223 148 R C -0.446 175.874 176.300 0.033 0.000 0.899 148 R CA 0.405 56.521 56.100 0.027 0.000 1.059 148 R CB 0.230 30.547 30.300 0.029 0.000 1.086 148 R HN 0.594 nan 8.270 nan 0.000 0.522 149 I N 1.466 122.060 120.570 0.040 0.000 2.571 149 I HA 0.317 4.488 4.170 0.002 0.000 0.289 149 I C -0.848 175.297 176.117 0.047 0.000 1.115 149 I CA -0.694 60.633 61.300 0.046 0.000 1.045 149 I CB 2.360 40.389 38.000 0.049 0.000 1.238 149 I HN -0.303 nan 8.210 nan 0.000 0.424 150 I N 3.922 124.524 120.570 0.054 0.000 2.474 150 I HA 0.484 4.655 4.170 0.002 0.000 0.294 150 I C 0.069 176.226 176.117 0.067 0.000 1.005 150 I CA -0.449 60.887 61.300 0.060 0.000 1.113 150 I CB 1.884 39.926 38.000 0.070 0.000 1.289 150 I HN 0.486 nan 8.210 nan 0.000 0.436 151 T N 7.944 122.537 114.554 0.065 0.000 2.848 151 T HA 0.776 5.128 4.350 0.002 0.000 0.285 151 T C -0.588 174.161 174.700 0.080 0.000 0.995 151 T CA -0.582 61.558 62.100 0.068 0.000 0.970 151 T CB 0.703 69.601 68.868 0.052 0.000 0.976 151 T HN 0.570 nan 8.240 nan 0.000 0.441 152 M N 2.261 121.918 119.600 0.094 0.000 2.550 152 M HA 0.670 5.151 4.480 0.002 0.000 0.292 152 M C -0.797 175.571 176.300 0.114 0.000 1.221 152 M CA -0.920 54.448 55.300 0.112 0.000 0.873 152 M CB 2.265 34.942 32.600 0.127 0.000 1.727 152 M HN 0.304 nan 8.290 nan 0.000 0.459 153 S N 2.486 118.264 115.700 0.131 0.000 2.558 153 S HA 0.489 4.960 4.470 0.002 0.000 0.238 153 S C -0.564 174.068 174.600 0.053 0.000 1.183 153 S CA -0.672 57.590 58.200 0.103 0.000 1.185 153 S CB -0.380 62.934 63.200 0.190 0.000 1.003 153 S HN 0.590 nan 8.310 nan 0.000 0.478 154 L N -2.278 119.005 121.223 0.100 0.000 2.277 154 L HA 1.137 5.478 4.340 0.002 0.000 0.254 154 L C -0.230 176.767 176.870 0.212 0.000 1.044 154 L CA -0.843 54.087 54.840 0.150 0.000 0.842 154 L CB 0.919 43.101 42.059 0.205 0.000 1.422 154 L HN 0.067 nan 8.230 nan 0.000 0.422 155 G N -1.900 107.089 108.800 0.315 0.000 2.616 155 G HA2 0.648 4.610 3.960 0.002 0.000 0.294 155 G HA3 0.648 4.610 3.960 0.002 0.000 0.294 155 G C -1.453 173.412 174.900 -0.059 0.000 1.489 155 G CA -0.139 45.123 45.100 0.270 0.000 0.836 155 G HN 1.020 nan 8.290 nan 0.000 0.527 156 G N -0.349 108.049 108.800 -0.670 0.000 2.694 156 G HA2 0.730 4.691 3.960 0.002 0.000 0.290 156 G HA3 0.730 4.691 3.960 0.002 0.000 0.290 156 G C -2.174 172.265 174.900 -0.768 0.000 1.386 156 G CA -1.140 43.114 45.100 -1.411 0.000 0.872 156 G HN 0.353 nan 8.290 nan 0.000 0.475 157 P HA 0.065 nan 4.420 nan 0.000 0.218 157 P C 0.853 178.164 177.300 0.019 0.000 1.152 157 P CA 0.874 63.834 63.100 -0.234 0.000 0.826 157 P CB 0.075 31.642 31.700 -0.223 0.000 0.790 158 T N 1.309 115.865 114.554 0.003 0.000 2.780 158 T HA 0.143 4.495 4.350 0.002 0.000 0.294 158 T C -0.057 174.619 174.700 -0.041 0.000 0.949 158 T CA -0.457 61.675 62.100 0.053 0.000 1.074 158 T CB 0.290 69.210 68.868 0.086 0.000 0.910 158 T HN -0.052 nan 8.240 nan 0.000 0.501 159 D N 2.548 122.677 120.400 -0.451 0.000 2.346 159 D HA 0.096 4.737 4.640 0.002 0.000 0.260 159 D C -0.283 175.911 176.300 -0.177 0.000 1.252 159 D CA 0.239 53.795 54.000 -0.740 0.000 0.895 159 D CB 0.498 40.855 40.800 -0.737 0.000 1.097 159 D HN 0.503 nan 8.370 nan 0.000 0.489 160 S N 3.589 119.274 115.700 -0.025 0.000 2.478 160 S HA 0.189 4.660 4.470 0.002 0.000 0.312 160 S C 1.010 175.613 174.600 0.006 0.000 1.094 160 S CA -0.671 57.536 58.200 0.013 0.000 1.081 160 S CB 1.362 64.588 63.200 0.043 0.000 1.007 160 S HN 0.351 nan 8.310 nan 0.000 0.475 161 E N 2.951 123.147 120.200 -0.006 0.000 2.153 161 E HA -0.173 4.178 4.350 0.002 0.000 0.194 161 E C 1.509 178.094 176.600 -0.026 0.000 0.988 161 E CA 1.006 57.399 56.400 -0.011 0.000 0.811 161 E CB 0.010 29.699 29.700 -0.018 0.000 0.746 161 E HN 0.916 nan 8.360 nan 0.000 0.466 162 E N 0.517 120.703 120.200 -0.024 0.000 2.106 162 E HA -0.177 4.175 4.350 0.002 0.000 0.192 162 E C 2.149 178.737 176.600 -0.021 0.000 0.984 162 E CA 0.505 56.886 56.400 -0.031 0.000 0.806 162 E CB 0.045 29.726 29.700 -0.032 0.000 0.750 162 E HN 0.088 nan 8.360 nan 0.000 0.458 163 L N 0.336 121.556 121.223 -0.005 0.000 2.109 163 L HA -0.110 4.231 4.340 0.002 0.000 0.207 163 L C 2.160 179.042 176.870 0.020 0.000 1.086 163 L CA 1.916 56.775 54.840 0.031 0.000 0.760 163 L CB -0.621 41.489 42.059 0.085 0.000 0.910 163 L HN 0.219 nan 8.230 nan 0.000 0.437 164 H N -1.340 117.563 119.070 -0.279 0.000 2.421 164 H HA -0.147 4.410 4.556 0.002 0.000 0.298 164 H C 1.363 176.535 175.328 -0.261 0.000 1.087 164 H CA 1.053 56.760 56.048 -0.568 0.000 1.330 164 H CB 0.429 29.744 29.762 -0.744 0.000 1.388 164 H HN 0.398 nan 8.280 nan 0.000 0.526 165 D N 0.063 120.415 120.400 -0.079 0.000 2.144 165 D HA -0.076 4.565 4.640 0.002 0.000 0.200 165 D C 2.203 178.503 176.300 0.000 0.000 0.978 165 D CA 1.004 54.957 54.000 -0.077 0.000 0.833 165 D CB -0.315 40.437 40.800 -0.079 0.000 0.961 165 D HN 0.451 nan 8.370 nan 0.000 0.470 166 A N 0.454 123.291 122.820 0.030 0.000 1.902 166 A HA -0.130 4.191 4.320 0.002 0.000 0.217 166 A C 2.481 180.150 177.584 0.142 0.000 1.181 166 A CA 1.126 53.227 52.037 0.107 0.000 0.623 166 A CB -0.712 18.344 19.000 0.093 0.000 0.818 166 A HN 0.142 nan 8.150 nan 0.000 0.443 167 V N 0.097 120.072 119.914 0.101 0.000 2.343 167 V HA -0.267 3.855 4.120 0.002 0.000 0.247 167 V C 2.450 178.589 176.094 0.074 0.000 1.051 167 V CA 2.390 64.759 62.300 0.114 0.000 1.036 167 V CB -0.614 31.312 31.823 0.171 0.000 0.654 167 V HN 0.559 nan 8.190 nan 0.000 0.451 168 K N -1.115 119.299 120.400 0.023 0.000 2.103 168 K HA -0.168 4.153 4.320 0.002 0.000 0.204 168 K C 2.205 178.834 176.600 0.048 0.000 1.052 168 K CA 1.500 57.779 56.287 -0.013 0.000 0.945 168 K CB -0.338 32.097 32.500 -0.108 0.000 0.722 168 K HN 0.483 nan 8.250 nan 0.000 0.443 169 Y N 1.695 121.969 120.300 -0.043 0.000 2.207 169 Y HA -0.252 4.299 4.550 0.002 0.000 0.287 169 Y C 2.090 177.982 175.900 -0.013 0.000 1.156 169 Y CA 1.125 59.209 58.100 -0.028 0.000 1.182 169 Y CB -0.367 38.081 38.460 -0.020 0.000 0.979 169 Y HN 0.045 nan 8.280 nan 0.000 0.521 170 A N -1.016 121.802 122.820 -0.003 0.000 1.840 170 A HA -0.092 4.229 4.320 0.002 0.000 0.214 170 A C 2.388 179.922 177.584 -0.085 0.000 1.198 170 A CA 1.604 53.593 52.037 -0.079 0.000 0.608 170 A CB -1.323 17.689 19.000 0.020 0.000 0.839 170 A HN 0.247 nan 8.150 nan 0.000 0.443 171 V N 1.098 120.993 119.914 -0.032 0.000 2.469 171 V HA -0.199 3.922 4.120 0.002 0.000 0.251 171 V C 2.734 178.794 176.094 -0.055 0.000 1.064 171 V CA 2.354 64.635 62.300 -0.032 0.000 1.066 171 V CB -0.424 31.390 31.823 -0.015 0.000 0.667 171 V HN 0.803 nan 8.190 nan 0.000 0.461 172 S N -1.235 114.423 115.700 -0.071 0.000 2.575 172 S HA 0.081 4.552 4.470 0.002 0.000 0.215 172 S C 1.010 175.537 174.600 -0.122 0.000 0.966 172 S CA 0.112 58.267 58.200 -0.074 0.000 0.911 172 S CB -0.322 62.852 63.200 -0.043 0.000 0.780 172 S HN 0.681 nan 8.310 nan 0.000 0.514 173 N N 2.219 120.807 118.700 -0.187 0.000 2.389 173 N HA 0.181 4.923 4.740 0.002 0.000 0.260 173 N C -0.812 174.619 175.510 -0.133 0.000 1.191 173 N CA -0.175 52.752 53.050 -0.203 0.000 0.885 173 N CB 0.265 38.535 38.487 -0.362 0.000 1.162 173 N HN 0.230 nan 8.380 nan 0.000 0.512 174 N N 0.223 118.870 118.700 -0.089 0.000 2.735 174 N HA -0.135 4.606 4.740 0.002 0.000 0.248 174 N C -0.923 174.564 175.510 -0.038 0.000 1.083 174 N CA 0.536 53.555 53.050 -0.053 0.000 0.703 174 N CB -1.428 37.032 38.487 -0.045 0.000 1.005 174 N HN 0.067 nan 8.380 nan 0.000 0.550 175 V N 0.360 120.249 119.914 -0.042 0.000 2.398 175 V HA 0.359 4.480 4.120 0.002 0.000 0.286 175 V C 0.561 176.661 176.094 0.010 0.000 1.026 175 V CA -0.711 61.580 62.300 -0.015 0.000 0.868 175 V CB 2.018 33.825 31.823 -0.027 0.000 0.982 175 V HN 0.201 nan 8.190 nan 0.000 0.443 176 S N 3.846 119.565 115.700 0.032 0.000 2.523 176 S HA 0.471 4.942 4.470 0.002 0.000 0.275 176 S C -0.170 174.465 174.600 0.060 0.000 1.281 176 S CA -0.506 57.726 58.200 0.053 0.000 1.050 176 S CB 1.395 64.640 63.200 0.075 0.000 0.937 176 S HN 0.476 nan 8.310 nan 0.000 0.492 177 V N 4.447 124.403 119.914 0.069 0.000 2.313 177 V HA 0.275 4.397 4.120 0.002 0.000 0.278 177 V C -0.136 176.013 176.094 0.092 0.000 1.017 177 V CA -0.652 61.698 62.300 0.082 0.000 0.823 177 V CB 1.141 33.021 31.823 0.095 0.000 1.010 177 V HN 0.709 nan 8.190 nan 0.000 0.443 178 V N 4.111 124.079 119.914 0.089 0.000 2.509 178 V HA 0.483 4.604 4.120 0.002 0.000 0.284 178 V C 0.096 176.245 176.094 0.092 0.000 1.047 178 V CA -0.307 62.047 62.300 0.090 0.000 0.952 178 V CB 1.518 33.389 31.823 0.081 0.000 0.988 178 V HN 0.969 nan 8.190 nan 0.000 0.469 179 C N 4.246 123.600 119.300 0.089 0.000 2.783 179 C HA 0.806 5.267 4.460 0.002 0.000 0.312 179 C C 0.440 175.469 174.990 0.066 0.000 1.182 179 C CA -0.529 58.541 59.018 0.086 0.000 1.432 179 C CB 0.826 28.626 27.740 0.100 0.000 1.933 179 C HN 1.146 nan 8.230 nan 0.000 0.473 180 A N 3.524 126.379 122.820 0.058 0.000 2.477 180 A HA 0.571 4.892 4.320 0.002 0.000 0.246 180 A C 0.487 178.076 177.584 0.009 0.000 1.078 180 A CA 0.428 52.485 52.037 0.033 0.000 0.770 180 A CB 0.226 19.241 19.000 0.025 0.000 1.011 180 A HN 1.929 nan 8.150 nan 0.000 0.494 181 A N 3.090 125.907 122.820 -0.005 0.000 2.527 181 A HA 0.539 4.861 4.320 0.002 0.000 0.313 181 A C 0.847 178.404 177.584 -0.046 0.000 1.410 181 A CA 0.193 52.214 52.037 -0.026 0.000 1.060 181 A CB -0.613 18.372 19.000 -0.025 0.000 1.137 181 A HN 1.515 nan 8.150 nan 0.000 0.542 182 G N 3.073 111.843 108.800 -0.049 0.000 2.378 182 G HA2 0.353 4.314 3.960 0.002 0.000 0.255 182 G HA3 0.353 4.314 3.960 0.002 0.000 0.255 182 G C 0.426 175.302 174.900 -0.039 0.000 1.270 182 G CA -0.051 44.990 45.100 -0.099 0.000 0.876 182 G HN 1.126 nan 8.290 nan 0.000 0.521 193 E N -0.066 119.965 120.200 -0.283 0.000 4.512 193 E HA -0.228 4.124 4.350 0.002 0.000 0.162 193 E C -0.632 175.529 176.600 -0.731 0.000 1.118 193 E CA 1.952 58.043 56.400 -0.514 0.000 2.523 193 E CB -1.510 27.847 29.700 -0.571 0.000 1.694 193 E HN 0.364 nan 8.360 nan 0.000 0.524 194 F N 0.179 120.009 119.950 -0.199 0.000 2.855 194 F HA 0.689 5.218 4.527 0.002 0.000 0.317 194 F C 1.376 177.024 175.800 -0.252 0.000 1.169 194 F CA 0.230 58.112 58.000 -0.197 0.000 1.299 194 F CB 0.431 39.353 39.000 -0.130 0.000 0.962 194 F HN 0.278 nan 8.300 nan 0.000 0.506 195 A N -0.787 121.860 122.820 -0.288 0.000 1.854 195 A HA -0.044 4.277 4.320 0.002 0.000 0.214 195 A C 0.226 177.359 177.584 -0.752 0.000 1.192 195 A CA 1.195 52.868 52.037 -0.607 0.000 0.611 195 A CB -0.615 17.816 19.000 -0.949 0.000 0.832 195 A HN 0.274 nan 8.150 nan 0.000 0.442 196 Y N -1.067 119.127 120.300 -0.177 0.000 2.334 196 Y HA 0.408 4.959 4.550 0.002 0.000 0.328 196 Y C -1.690 174.279 175.900 0.114 0.000 1.130 196 Y CA -2.344 55.640 58.100 -0.193 0.000 1.163 196 Y CB 0.790 39.136 38.460 -0.190 0.000 1.207 196 Y HN 0.135 nan 8.280 nan 0.000 0.471 197 P HA 0.076 nan 4.420 nan 0.000 0.251 197 P C 0.892 178.193 177.300 0.001 0.000 1.223 197 P CA 0.733 63.942 63.100 0.182 0.000 0.796 197 P CB 0.266 32.191 31.700 0.375 0.000 1.068 198 A N 1.087 123.885 122.820 -0.037 0.000 1.972 198 A HA -0.044 4.278 4.320 0.002 0.000 0.219 198 A C 2.355 179.880 177.584 -0.098 0.000 1.169 198 A CA 1.808 53.826 52.037 -0.032 0.000 0.635 198 A CB -1.395 17.588 19.000 -0.027 0.000 0.810 198 A HN 0.222 nan 8.150 nan 0.000 0.446 199 A N -1.003 121.647 122.820 -0.283 0.000 1.972 199 A HA 0.044 4.365 4.320 0.002 0.000 0.219 199 A C 0.745 178.270 177.584 -0.098 0.000 1.169 199 A CA 0.529 52.393 52.037 -0.288 0.000 0.635 199 A CB -0.680 17.948 19.000 -0.620 0.000 0.810 199 A HN 0.474 nan 8.150 nan 0.000 0.446 200 Y N 0.365 120.708 120.300 0.071 0.000 2.712 200 Y HA 0.011 4.562 4.550 0.002 0.000 0.333 200 Y C 1.506 177.449 175.900 0.072 0.000 1.225 200 Y CA 0.027 58.156 58.100 0.048 0.000 1.499 200 Y CB -0.126 38.333 38.460 -0.000 0.000 1.288 200 Y HN 0.346 nan 8.280 nan 0.000 0.575 201 N N 2.216 121.077 118.700 0.268 0.000 2.184 201 N HA -0.227 4.514 4.740 0.002 0.000 0.190 201 N C 1.197 176.745 175.510 0.063 0.000 1.011 201 N CA 1.959 55.093 53.050 0.140 0.000 0.867 201 N CB 0.120 38.692 38.487 0.142 0.000 0.993 201 N HN 0.773 nan 8.380 nan 0.000 0.433 202 E N -1.118 119.150 120.200 0.112 0.000 2.481 202 E HA 0.095 4.447 4.350 0.002 0.000 0.198 202 E C -0.033 176.585 176.600 0.030 0.000 1.027 202 E CA -0.128 56.288 56.400 0.027 0.000 0.900 202 E CB 0.179 29.904 29.700 0.042 0.000 0.993 202 E HN 0.022 nan 8.360 nan 0.000 0.482 203 V N 2.345 122.316 119.914 0.095 0.000 2.607 203 V HA 0.178 4.300 4.120 0.002 0.000 0.289 203 V C 0.586 176.713 176.094 0.054 0.000 1.053 203 V CA -0.508 61.850 62.300 0.096 0.000 0.996 203 V CB 1.426 33.341 31.823 0.154 0.000 0.995 203 V HN 0.146 nan 8.190 nan 0.000 0.476 204 I N 4.373 124.990 120.570 0.079 0.000 2.329 204 I HA 0.314 4.485 4.170 0.002 0.000 0.295 204 I C 0.755 176.935 176.117 0.104 0.000 1.109 204 I CA 0.186 61.559 61.300 0.122 0.000 1.297 204 I CB 0.616 38.718 38.000 0.171 0.000 1.433 204 I HN 0.690 nan 8.210 nan 0.000 0.509 205 A N 7.036 129.911 122.820 0.092 0.000 2.362 205 A HA 0.573 4.894 4.320 0.002 0.000 0.276 205 A C -0.199 177.421 177.584 0.060 0.000 1.153 205 A CA -0.340 51.734 52.037 0.062 0.000 0.813 205 A CB 0.429 19.451 19.000 0.037 0.000 1.081 205 A HN 0.465 nan 8.150 nan 0.000 0.507 206 V N 3.324 123.268 119.914 0.049 0.000 2.384 206 V HA 0.610 4.732 4.120 0.002 0.000 0.287 206 V C 0.980 177.088 176.094 0.023 0.000 1.020 206 V CA -0.031 62.295 62.300 0.042 0.000 0.850 206 V CB 1.126 32.980 31.823 0.053 0.000 0.987 206 V HN 1.098 nan 8.190 nan 0.000 0.436 207 G N 2.913 111.722 108.800 0.014 0.000 2.531 207 G HA2 0.781 4.742 3.960 0.002 0.000 0.313 207 G HA3 0.781 4.742 3.960 0.002 0.000 0.313 207 G C -0.498 174.406 174.900 0.006 0.000 1.238 207 G CA -0.161 44.935 45.100 -0.006 0.000 0.994 207 G HN 1.067 nan 8.290 nan 0.000 0.493 208 A N -1.322 121.489 122.820 -0.016 0.000 2.384 208 A HA 0.875 5.197 4.320 0.002 0.000 0.312 208 A C -0.273 177.297 177.584 -0.024 0.000 1.113 208 A CA -0.236 51.795 52.037 -0.009 0.000 0.779 208 A CB 1.734 20.719 19.000 -0.026 0.000 1.307 208 A HN 1.969 nan 8.150 nan 0.000 0.436 209 V N -1.241 118.663 119.914 -0.016 0.000 3.182 209 V HA 0.791 4.913 4.120 0.002 0.000 0.308 209 V C -0.746 175.267 176.094 -0.136 0.000 1.240 209 V CA -0.647 61.621 62.300 -0.053 0.000 1.063 209 V CB 1.625 33.441 31.823 -0.011 0.000 1.076 209 V HN 1.007 nan 8.190 nan 0.000 0.446 210 D N -0.278 120.026 120.400 -0.159 0.000 2.507 210 D HA 0.366 5.007 4.640 0.002 0.000 0.280 210 D C 0.333 176.483 176.300 -0.250 0.000 1.219 210 D CA -0.575 53.260 54.000 -0.275 0.000 1.085 210 D CB 0.230 40.934 40.800 -0.160 0.000 1.134 210 D HN 0.343 nan 8.370 nan 0.000 0.583 211 F N -0.870 119.057 119.950 -0.039 0.000 2.811 211 F HA 0.138 4.666 4.527 0.002 0.000 0.301 211 F C 1.191 176.930 175.800 -0.101 0.000 1.151 211 F CA 0.121 58.081 58.000 -0.067 0.000 1.412 211 F CB -0.180 38.802 39.000 -0.030 0.000 1.113 211 F HN 0.216 nan 8.300 nan 0.000 0.579 212 D N 0.395 120.824 120.400 0.048 0.000 2.427 212 D HA 0.152 4.793 4.640 0.002 0.000 0.224 212 D C 0.755 177.021 176.300 -0.058 0.000 1.157 212 D CA 0.194 54.191 54.000 -0.005 0.000 0.828 212 D CB 0.259 41.065 40.800 0.011 0.000 0.974 212 D HN 0.153 nan 8.370 nan 0.000 0.498 213 L N 0.779 121.925 121.223 -0.128 0.000 3.660 213 L HA -0.264 4.077 4.340 0.002 0.000 0.440 213 L C 0.273 177.157 176.870 0.024 0.000 1.262 213 L CA 0.551 55.282 54.840 -0.181 0.000 0.837 213 L CB -1.393 40.511 42.059 -0.257 0.000 1.689 213 L HN 0.138 nan 8.230 nan 0.000 0.890 214 R N 0.407 120.923 120.500 0.028 0.000 2.476 214 R HA 0.608 4.950 4.340 0.002 0.000 0.305 214 R C 0.316 176.628 176.300 0.019 0.000 0.965 214 R CA -0.832 55.328 56.100 0.101 0.000 0.867 214 R CB 1.234 31.559 30.300 0.042 0.000 1.176 214 R HN 0.209 nan 8.270 nan 0.000 0.447 225 I N -1.826 118.748 120.570 0.007 0.000 2.676 225 I HA 0.483 4.654 4.170 0.002 0.000 0.309 225 I C 0.048 176.201 176.117 0.059 0.000 0.990 225 I CA -0.014 61.301 61.300 0.025 0.000 1.168 225 I CB 1.625 39.630 38.000 0.008 0.000 1.343 225 I HN 0.098 nan 8.210 nan 0.000 0.482 226 D N 3.305 123.756 120.400 0.085 0.000 2.463 226 D HA 0.363 5.004 4.640 0.002 0.000 0.237 226 D C 0.292 176.646 176.300 0.090 0.000 1.013 226 D CA 0.882 54.963 54.000 0.135 0.000 0.910 226 D CB 1.910 42.845 40.800 0.225 0.000 1.080 226 D HN 0.560 nan 8.370 nan 0.000 0.498 227 I N 0.585 121.194 120.570 0.065 0.000 2.984 227 I HA 0.165 4.336 4.170 0.002 0.000 0.303 227 I C -1.760 174.379 176.117 0.036 0.000 1.381 227 I CA -0.866 60.456 61.300 0.037 0.000 0.988 227 I CB 2.377 40.382 38.000 0.009 0.000 1.307 227 I HN -0.269 nan 8.210 nan 0.000 0.460 228 V N 2.918 122.859 119.914 0.044 0.000 2.815 228 V HA 1.058 5.179 4.120 0.002 0.000 0.314 228 V C -0.340 175.769 176.094 0.024 0.000 1.064 228 V CA -0.126 62.214 62.300 0.068 0.000 0.952 228 V CB 1.113 33.009 31.823 0.122 0.000 1.020 228 V HN 0.983 nan 8.190 nan 0.000 0.439 229 A N 3.467 126.309 122.820 0.036 0.000 2.564 229 A HA 1.035 5.357 4.320 0.002 0.000 0.288 229 A C -3.200 174.424 177.584 0.067 0.000 1.164 229 A CA -1.939 50.056 52.037 -0.070 0.000 0.712 229 A CB 1.711 20.658 19.000 -0.088 0.000 1.303 229 A HN 0.708 nan 8.150 nan 0.000 0.418 230 P HA 0.396 nan 4.420 nan 0.000 0.271 230 P C 0.501 177.761 177.300 -0.067 0.000 1.216 230 P CA 0.601 63.655 63.100 -0.076 0.000 0.776 230 P CB 1.007 32.640 31.700 -0.112 0.000 0.881 231 G N 0.803 109.531 108.800 -0.120 0.000 3.941 231 G HA2 0.186 4.147 3.960 0.002 0.000 0.222 231 G HA3 0.186 4.147 3.960 0.002 0.000 0.222 231 G C -0.592 174.242 174.900 -0.109 0.000 1.118 231 G CA 0.134 45.207 45.100 -0.045 0.000 0.880 231 G HN 0.410 nan 8.290 nan 0.000 0.546 232 V N 0.838 120.590 119.914 -0.269 0.000 2.435 232 V HA 0.683 4.804 4.120 0.002 0.000 0.290 232 V C 1.206 177.118 176.094 -0.304 0.000 1.030 232 V CA 0.565 62.722 62.300 -0.237 0.000 0.881 232 V CB 1.154 32.846 31.823 -0.219 0.000 0.983 232 V HN 0.974 nan 8.190 nan 0.000 0.445 233 G N 4.932 113.698 108.800 -0.056 0.000 2.198 233 G HA2 -0.175 3.786 3.960 0.002 0.000 0.257 233 G HA3 -0.175 3.786 3.960 0.002 0.000 0.257 233 G C -0.090 174.963 174.900 0.255 0.000 1.042 233 G CA -0.293 44.877 45.100 0.117 0.000 0.791 233 G HN 0.492 nan 8.290 nan 0.000 0.502 234 I N 0.682 121.375 120.570 0.206 0.000 2.322 234 I HA 0.238 4.409 4.170 0.002 0.000 0.292 234 I C 0.766 177.073 176.117 0.317 0.000 1.060 234 I CA -0.255 61.234 61.300 0.314 0.000 1.309 234 I CB 0.743 38.947 38.000 0.341 0.000 1.415 234 I HN 0.087 nan 8.210 nan 0.000 0.492 235 K N 4.443 124.982 120.400 0.231 0.000 2.276 235 K HA 0.460 4.782 4.320 0.002 0.000 0.285 235 K C 0.010 176.602 176.600 -0.013 0.000 1.062 235 K CA -0.092 56.275 56.287 0.134 0.000 0.918 235 K CB 1.439 33.989 32.500 0.083 0.000 1.055 235 K HN 0.618 nan 8.250 nan 0.000 0.477 236 S N 1.229 116.821 115.700 -0.179 0.000 2.671 236 S HA 0.342 4.813 4.470 0.002 0.000 0.277 236 S C -0.865 173.695 174.600 -0.067 0.000 1.165 236 S CA -0.842 57.151 58.200 -0.344 0.000 0.822 236 S CB 1.037 63.690 63.200 -0.911 0.000 1.150 236 S HN 0.634 nan 8.310 nan 0.000 0.479 237 T N 1.060 115.581 114.554 -0.056 0.000 2.937 237 T HA 0.385 4.736 4.350 0.002 0.000 0.316 237 T C -0.708 174.014 174.700 0.037 0.000 1.079 237 T CA 0.308 62.327 62.100 -0.135 0.000 1.131 237 T CB 0.077 68.615 68.868 -0.550 0.000 1.000 237 T HN 0.577 nan 8.240 nan 0.000 0.549 238 Y N 0.317 120.566 120.300 -0.086 0.000 2.689 238 Y HA 0.474 5.026 4.550 0.002 0.000 0.333 238 Y C -0.240 175.702 175.900 0.070 0.000 1.190 238 Y CA -1.790 56.336 58.100 0.043 0.000 1.063 238 Y CB 1.181 39.709 38.460 0.114 0.000 1.294 238 Y HN 0.791 nan 8.280 nan 0.000 0.466 239 L N 3.104 124.103 121.223 -0.372 0.000 2.557 239 L HA -0.123 4.218 4.340 0.002 0.000 0.308 239 L C 0.044 176.881 176.870 -0.054 0.000 1.283 239 L CA 1.267 55.974 54.840 -0.222 0.000 0.847 239 L CB 0.071 41.924 42.059 -0.344 0.000 1.088 239 L HN 0.800 nan 8.230 nan 0.000 0.537 240 D N 1.318 121.674 120.400 -0.075 0.000 2.704 240 D HA -0.212 4.430 4.640 0.002 0.000 0.232 240 D C 0.596 176.801 176.300 -0.158 0.000 1.183 240 D CA 0.893 54.840 54.000 -0.088 0.000 0.647 240 D CB -1.219 39.555 40.800 -0.044 0.000 1.013 240 D HN 0.779 nan 8.370 nan 0.000 0.415 241 S N -2.942 112.572 115.700 -0.311 0.000 3.445 241 S HA -0.178 4.293 4.470 0.002 0.000 0.319 241 S C 1.049 175.336 174.600 -0.522 0.000 1.209 241 S CA 1.062 58.856 58.200 -0.676 0.000 0.934 241 S CB -1.385 61.564 63.200 -0.418 0.000 0.999 241 S HN 0.971 nan 8.310 nan 0.000 0.582 242 G N -0.784 107.868 108.800 -0.245 0.000 2.583 242 G HA2 0.706 4.668 3.960 0.002 0.000 0.280 242 G HA3 0.706 4.668 3.960 0.002 0.000 0.280 242 G C -0.784 173.906 174.900 -0.351 0.000 1.376 242 G CA -0.766 44.240 45.100 -0.156 0.000 1.043 242 G HN 0.291 nan 8.290 nan 0.000 0.538 243 Y N -1.715 118.740 120.300 0.257 0.000 2.562 243 Y HA 0.665 5.217 4.550 0.003 0.000 0.345 243 Y C 0.291 176.266 175.900 0.124 0.000 1.045 243 Y CA -0.694 57.529 58.100 0.204 0.000 1.028 243 Y CB 2.404 40.934 38.460 0.118 0.000 1.297 243 Y HN 0.769 nan 8.280 nan 0.000 0.463 244 A N 0.991 123.947 122.820 0.227 0.000 2.498 244 A HA 0.652 4.973 4.320 0.002 0.000 0.298 244 A C -1.475 176.216 177.584 0.177 0.000 1.075 244 A CA -0.837 51.196 52.037 -0.007 0.000 0.714 244 A CB 1.803 20.438 19.000 -0.608 0.000 1.299 244 A HN 0.729 nan 8.150 nan 0.000 0.407 245 E N 2.101 122.361 120.200 0.101 0.000 2.113 245 E HA 0.571 4.922 4.350 0.002 0.000 0.273 245 E C -1.375 175.272 176.600 0.079 0.000 0.924 245 E CA -0.322 56.169 56.400 0.152 0.000 0.764 245 E CB 0.561 30.328 29.700 0.112 0.000 1.104 245 E HN 0.592 nan 8.360 nan 0.000 0.406 246 L N 2.488 123.751 121.223 0.066 0.000 2.334 246 L HA 0.537 4.879 4.340 0.002 0.000 0.273 246 L C -0.232 176.651 176.870 0.021 0.000 1.013 246 L CA -1.058 53.763 54.840 -0.032 0.000 0.816 246 L CB 2.063 43.938 42.059 -0.307 0.000 1.278 246 L HN 0.400 nan 8.230 nan 0.000 0.431 247 S N 0.592 116.318 115.700 0.042 0.000 2.473 247 S HA 0.911 5.383 4.470 0.002 0.000 0.307 247 S C -0.039 174.586 174.600 0.043 0.000 1.094 247 S CA -0.616 57.596 58.200 0.021 0.000 1.070 247 S CB 1.897 65.102 63.200 0.008 0.000 1.019 247 S HN 0.995 nan 8.310 nan 0.000 0.480 248 G N 1.134 109.941 108.800 0.012 0.000 2.368 248 G HA2 0.252 4.213 3.960 0.002 0.000 0.303 248 G HA3 0.252 4.213 3.960 0.002 0.000 0.303 248 G C 0.250 175.147 174.900 -0.006 0.000 1.590 248 G CA -0.502 44.608 45.100 0.017 0.000 0.938 248 G HN 0.409 nan 8.290 nan 0.000 0.675 249 T N 1.272 115.809 114.554 -0.029 0.000 2.653 249 T HA -0.170 4.181 4.350 0.002 0.000 0.268 249 T C 2.837 177.533 174.700 -0.007 0.000 1.035 249 T CA 3.084 65.165 62.100 -0.033 0.000 1.154 249 T CB -0.453 68.376 68.868 -0.065 0.000 0.862 249 T HN 1.507 nan 8.240 nan 0.000 0.441 250 A N 0.545 123.355 122.820 -0.016 0.000 2.139 250 A HA -0.100 4.221 4.320 0.002 0.000 0.221 250 A C 2.071 179.696 177.584 0.068 0.000 1.159 250 A CA 1.491 53.539 52.037 0.017 0.000 0.662 250 A CB -0.654 18.330 19.000 -0.027 0.000 0.796 250 A HN 0.394 nan 8.150 nan 0.000 0.463 251 M N -1.108 118.523 119.600 0.052 0.000 2.447 251 M HA 0.191 4.673 4.480 0.002 0.000 0.264 251 M C 2.233 178.640 176.300 0.179 0.000 1.095 251 M CA 1.054 56.406 55.300 0.087 0.000 1.125 251 M CB -0.383 32.263 32.600 0.077 0.000 1.389 251 M HN 0.395 nan 8.290 nan 0.000 0.459 252 A N -0.099 122.815 122.820 0.156 0.000 1.898 252 A HA 0.068 4.390 4.320 0.002 0.000 0.216 252 A C 2.384 180.092 177.584 0.207 0.000 1.181 252 A CA 1.683 53.846 52.037 0.209 0.000 0.620 252 A CB -1.099 17.954 19.000 0.090 0.000 0.819 252 A HN 0.424 nan 8.150 nan 0.000 0.442 253 A N 0.489 123.380 122.820 0.118 0.000 1.892 253 A HA -0.118 4.203 4.320 0.002 0.000 0.218 253 A C 0.238 177.871 177.584 0.081 0.000 1.188 253 A CA 2.118 54.210 52.037 0.091 0.000 0.631 253 A CB -1.828 17.216 19.000 0.074 0.000 0.822 253 A HN 0.448 nan 8.150 nan 0.000 0.447 254 P HA -0.138 nan 4.420 nan 0.000 0.218 254 P C 0.705 177.977 177.300 -0.048 0.000 1.148 254 P CA 1.602 64.683 63.100 -0.031 0.000 0.822 254 P CB -0.268 31.373 31.700 -0.100 0.000 0.784 255 H N -1.424 117.668 119.070 0.037 0.000 2.390 255 H HA -0.098 4.460 4.556 0.002 0.000 0.298 255 H C 1.754 177.089 175.328 0.012 0.000 1.106 255 H CA 1.188 57.253 56.048 0.029 0.000 1.297 255 H CB -0.937 28.836 29.762 0.019 0.000 1.375 255 H HN -0.063 nan 8.280 nan 0.000 0.509 256 V N 0.354 120.347 119.914 0.132 0.000 2.548 256 V HA -0.181 3.940 4.120 0.002 0.000 0.249 256 V C 2.458 178.592 176.094 0.066 0.000 1.055 256 V CA 1.355 63.699 62.300 0.073 0.000 1.065 256 V CB -0.740 31.118 31.823 0.057 0.000 0.681 256 V HN 0.580 nan 8.190 nan 0.000 0.462 257 A N 0.652 123.509 122.820 0.061 0.000 1.897 257 A HA -0.006 4.316 4.320 0.002 0.000 0.215 257 A C 2.417 180.032 177.584 0.051 0.000 1.181 257 A CA 1.709 53.777 52.037 0.052 0.000 0.620 257 A CB -1.128 17.896 19.000 0.040 0.000 0.821 257 A HN 0.487 nan 8.150 nan 0.000 0.443 258 G N -0.295 108.535 108.800 0.049 0.000 2.421 258 G HA2 -0.013 3.948 3.960 0.002 0.000 0.216 258 G HA3 -0.013 3.948 3.960 0.002 0.000 0.216 258 G C 1.769 176.720 174.900 0.085 0.000 1.171 258 G CA 1.504 46.643 45.100 0.065 0.000 0.775 258 G HN 0.804 nan 8.290 nan 0.000 0.543 259 A N 0.649 123.519 122.820 0.083 0.000 1.917 259 A HA -0.031 4.290 4.320 0.002 0.000 0.219 259 A C 2.442 180.064 177.584 0.063 0.000 1.182 259 A CA 1.498 53.578 52.037 0.071 0.000 0.633 259 A CB -0.452 18.572 19.000 0.040 0.000 0.819 259 A HN 0.379 nan 8.150 nan 0.000 0.448 260 L N -1.093 120.166 121.223 0.060 0.000 2.083 260 L HA -0.207 4.135 4.340 0.002 0.000 0.209 260 L C 3.130 180.036 176.870 0.060 0.000 1.083 260 L CA 0.956 55.830 54.840 0.058 0.000 0.752 260 L CB -0.625 41.470 42.059 0.060 0.000 0.899 260 L HN 0.477 nan 8.230 nan 0.000 0.433 261 A N 0.547 123.404 122.820 0.063 0.000 1.883 261 A HA -0.202 4.119 4.320 0.002 0.000 0.217 261 A C 2.217 179.843 177.584 0.070 0.000 1.186 261 A CA 1.633 53.707 52.037 0.062 0.000 0.624 261 A CB -0.732 18.303 19.000 0.058 0.000 0.822 261 A HN 0.373 nan 8.150 nan 0.000 0.444 262 L N -0.573 120.703 121.223 0.088 0.000 1.994 262 L HA -0.177 4.164 4.340 0.002 0.000 0.208 262 L C 2.496 179.416 176.870 0.083 0.000 1.071 262 L CA 0.844 55.746 54.840 0.104 0.000 0.745 262 L CB -0.797 41.347 42.059 0.142 0.000 0.892 262 L HN 0.260 nan 8.230 nan 0.000 0.431 263 I N 0.593 121.206 120.570 0.071 0.000 2.091 263 I HA -0.322 3.849 4.170 0.002 0.000 0.239 263 I C 2.646 178.805 176.117 0.070 0.000 1.061 263 I CA 1.883 63.221 61.300 0.063 0.000 1.317 263 I CB -0.865 37.164 38.000 0.049 0.000 1.031 263 I HN 0.199 nan 8.210 nan 0.000 0.401 264 I N 0.757 121.365 120.570 0.063 0.000 2.151 264 I HA -0.372 3.800 4.170 0.002 0.000 0.243 264 I C 2.300 178.458 176.117 0.068 0.000 1.080 264 I CA 1.597 62.933 61.300 0.060 0.000 1.339 264 I CB -0.554 37.476 38.000 0.050 0.000 1.039 264 I HN 0.291 nan 8.210 nan 0.000 0.409 265 N N 0.792 119.531 118.700 0.065 0.000 2.084 265 N HA -0.160 4.581 4.740 0.002 0.000 0.190 265 N C 1.776 177.328 175.510 0.070 0.000 1.030 265 N CA 1.647 54.734 53.050 0.062 0.000 0.849 265 N CB -0.479 38.043 38.487 0.058 0.000 1.012 265 N HN 0.391 nan 8.380 nan 0.000 0.423 266 L N -1.575 119.693 121.223 0.075 0.000 2.313 266 L HA 0.368 4.709 4.340 0.002 0.000 0.214 266 L C 1.913 178.837 176.870 0.090 0.000 1.119 266 L CA 1.305 56.187 54.840 0.071 0.000 0.809 266 L CB -0.715 41.382 42.059 0.064 0.000 0.933 266 L HN -0.033 nan 8.230 nan 0.000 0.449 267 A N 0.112 123.009 122.820 0.128 0.000 1.898 267 A HA -0.060 4.262 4.320 0.002 0.000 0.214 267 A C 2.208 179.963 177.584 0.285 0.000 1.183 267 A CA 1.277 53.454 52.037 0.234 0.000 0.622 267 A CB -0.510 18.618 19.000 0.214 0.000 0.824 267 A HN 0.556 nan 8.150 nan 0.000 0.444 268 E N -0.133 120.167 120.200 0.167 0.000 2.204 268 E HA -0.155 4.196 4.350 0.002 0.000 0.194 268 E C 1.119 177.793 176.600 0.124 0.000 0.989 268 E CA 0.960 57.445 56.400 0.141 0.000 0.824 268 E CB -0.093 29.657 29.700 0.082 0.000 0.756 268 E HN 0.500 nan 8.360 nan 0.000 0.477 269 D N 0.462 120.918 120.400 0.094 0.000 2.103 269 D HA -0.078 4.564 4.640 0.002 0.000 0.199 269 D C 1.864 178.188 176.300 0.040 0.000 0.978 269 D CA 1.226 55.262 54.000 0.059 0.000 0.829 269 D CB -0.169 40.655 40.800 0.040 0.000 0.981 269 D HN 0.131 nan 8.370 nan 0.000 0.464 270 A N -0.449 122.382 122.820 0.019 0.000 2.014 270 A HA -0.072 4.249 4.320 0.002 0.000 0.218 270 A C 1.769 179.236 177.584 -0.194 0.000 1.163 270 A CA 0.786 52.759 52.037 -0.107 0.000 0.652 270 A CB -0.662 18.227 19.000 -0.185 0.000 0.808 270 A HN 0.182 nan 8.150 nan 0.000 0.449 271 F N -0.516 119.442 119.950 0.014 0.000 2.754 271 F HA 0.162 4.690 4.527 0.002 0.000 0.297 271 F C 0.647 176.454 175.800 0.012 0.000 1.122 271 F CA 0.413 58.421 58.000 0.014 0.000 1.400 271 F CB 0.348 39.357 39.000 0.014 0.000 1.117 271 F HN 0.043 nan 8.300 nan 0.000 0.587 272 K N 1.419 121.909 120.400 0.150 0.000 3.077 272 K HA -0.255 4.066 4.320 0.002 0.000 0.264 272 K C -0.130 176.531 176.600 0.102 0.000 1.008 272 K CA 0.526 56.870 56.287 0.095 0.000 0.740 272 K CB -1.516 31.020 32.500 0.060 0.000 1.273 272 K HN 0.409 nan 8.250 nan 0.000 0.477 273 R N 0.205 120.778 120.500 0.121 0.000 2.604 273 R HA 0.114 4.455 4.340 0.002 0.000 0.261 273 R C -1.037 175.295 176.300 0.053 0.000 1.080 273 R CA -0.343 55.805 56.100 0.080 0.000 0.917 273 R CB 1.920 32.273 30.300 0.088 0.000 1.252 273 R HN 0.112 nan 8.270 nan 0.000 0.456 274 S N 3.978 119.692 115.700 0.023 0.000 2.555 274 S HA 0.158 4.630 4.470 0.002 0.000 0.293 274 S C -0.016 174.571 174.600 -0.022 0.000 1.248 274 S CA -0.108 58.095 58.200 0.005 0.000 1.096 274 S CB -0.189 63.010 63.200 -0.002 0.000 0.881 274 S HN 0.348 nan 8.310 nan 0.000 0.498 275 L N 4.955 126.158 121.223 -0.033 0.000 2.343 275 L HA 0.434 4.775 4.340 0.002 0.000 0.275 275 L C 0.884 177.725 176.870 -0.050 0.000 1.056 275 L CA -0.615 54.180 54.840 -0.076 0.000 0.804 275 L CB 1.663 43.658 42.059 -0.105 0.000 1.203 275 L HN 0.756 nan 8.230 nan 0.000 0.440 276 S N 0.337 116.003 115.700 -0.057 0.000 2.634 276 S HA 0.080 4.551 4.470 0.002 0.000 0.261 276 S C 0.905 175.495 174.600 -0.016 0.000 1.271 276 S CA -0.428 57.751 58.200 -0.035 0.000 0.985 276 S CB 1.001 64.180 63.200 -0.035 0.000 0.968 276 S HN 0.741 nan 8.310 nan 0.000 0.568 277 E N 0.655 120.850 120.200 -0.007 0.000 2.110 277 E HA -0.142 4.209 4.350 0.002 0.000 0.193 277 E C 1.780 178.409 176.600 0.049 0.000 0.988 277 E CA 1.746 58.156 56.400 0.017 0.000 0.804 277 E CB -0.791 28.911 29.700 0.003 0.000 0.745 277 E HN 0.819 nan 8.360 nan 0.000 0.458 278 T N 1.128 115.701 114.554 0.032 0.000 2.674 278 T HA -0.154 4.197 4.350 0.002 0.000 0.265 278 T C 1.685 176.437 174.700 0.087 0.000 1.039 278 T CA 1.600 63.741 62.100 0.068 0.000 1.150 278 T CB -0.231 68.657 68.868 0.032 0.000 0.864 278 T HN 0.311 nan 8.240 nan 0.000 0.427 279 E N 0.410 120.617 120.200 0.011 0.000 2.118 279 E HA -0.114 4.238 4.350 0.002 0.000 0.195 279 E C 2.188 178.779 176.600 -0.015 0.000 0.992 279 E CA 0.868 57.244 56.400 -0.041 0.000 0.804 279 E CB -0.168 29.453 29.700 -0.131 0.000 0.741 279 E HN 0.343 nan 8.360 nan 0.000 0.458 280 I N 0.469 121.051 120.570 0.020 0.000 2.226 280 I HA -0.257 3.914 4.170 0.002 0.000 0.245 280 I C 2.320 178.483 176.117 0.077 0.000 1.100 280 I CA 1.298 62.623 61.300 0.043 0.000 1.374 280 I CB -1.250 36.781 38.000 0.052 0.000 1.057 280 I HN 0.178 nan 8.210 nan 0.000 0.413 281 Y N 2.352 122.653 120.300 0.001 0.000 2.097 281 Y HA -0.275 4.277 4.550 0.002 0.000 0.282 281 Y C 2.634 178.541 175.900 0.013 0.000 1.152 281 Y CA 2.031 60.138 58.100 0.012 0.000 1.136 281 Y CB -0.553 37.916 38.460 0.014 0.000 0.975 281 Y HN 0.116 nan 8.280 nan 0.000 0.498 282 A N 0.197 122.969 122.820 -0.079 0.000 1.940 282 A HA -0.243 4.078 4.320 0.002 0.000 0.219 282 A C 2.068 179.578 177.584 -0.124 0.000 1.176 282 A CA 1.882 53.831 52.037 -0.146 0.000 0.631 282 A CB -0.671 18.318 19.000 -0.018 0.000 0.814 282 A HN 0.588 nan 8.150 nan 0.000 0.446 283 Q N -0.974 118.792 119.800 -0.057 0.000 2.170 283 Q HA -0.131 4.210 4.340 0.002 0.000 0.203 283 Q C 2.040 178.009 176.000 -0.051 0.000 0.976 283 Q CA 1.222 57.016 55.803 -0.016 0.000 0.858 283 Q CB -0.649 28.109 28.738 0.033 0.000 0.907 283 Q HN 0.608 nan 8.270 nan 0.000 0.433 284 L N 0.417 121.581 121.223 -0.098 0.000 1.976 284 L HA -0.128 4.213 4.340 0.002 0.000 0.209 284 L C 2.302 179.075 176.870 -0.162 0.000 1.071 284 L CA 1.708 56.480 54.840 -0.114 0.000 0.746 284 L CB -0.820 41.173 42.059 -0.109 0.000 0.890 284 L HN 0.169 nan 8.230 nan 0.000 0.432 285 V N -0.532 119.208 119.914 -0.291 0.000 2.913 285 V HA -0.163 3.958 4.120 0.002 0.000 0.260 285 V C 2.429 178.441 176.094 -0.137 0.000 1.098 285 V CA 1.564 63.710 62.300 -0.257 0.000 1.121 285 V CB -1.053 30.540 31.823 -0.383 0.000 0.714 285 V HN 0.728 nan 8.190 nan 0.000 0.487 286 R N 0.415 120.848 120.500 -0.112 0.000 2.297 286 R HA 0.185 4.526 4.340 0.002 0.000 0.197 286 R C 1.640 177.915 176.300 -0.041 0.000 0.943 286 R CA 0.425 56.491 56.100 -0.057 0.000 1.038 286 R CB -0.287 29.995 30.300 -0.030 0.000 0.957 286 R HN 0.464 nan 8.270 nan 0.000 0.484 287 R N 0.838 121.307 120.500 -0.052 0.000 2.694 287 R HA 0.350 4.692 4.340 0.002 0.000 0.334 287 R C -0.745 175.521 176.300 -0.056 0.000 1.143 287 R CA -0.011 56.063 56.100 -0.044 0.000 1.073 287 R CB 1.552 31.828 30.300 -0.039 0.000 1.366 287 R HN 0.152 nan 8.270 nan 0.000 0.577 288 A N 0.584 123.376 122.820 -0.047 0.000 2.330 288 A HA 0.492 4.813 4.320 0.002 0.000 0.313 288 A C -0.376 177.218 177.584 0.016 0.000 1.124 288 A CA -0.465 51.555 52.037 -0.029 0.000 0.774 288 A CB 1.356 20.334 19.000 -0.037 0.000 1.198 288 A HN 0.041 nan 8.150 nan 0.000 0.465 289 T N 5.304 119.897 114.554 0.065 0.000 2.770 289 T HA 0.485 4.836 4.350 0.002 0.000 0.297 289 T C -2.678 172.087 174.700 0.109 0.000 0.997 289 T CA -0.989 61.157 62.100 0.077 0.000 0.949 289 T CB 0.909 69.831 68.868 0.091 0.000 0.941 289 T HN 0.422 nan 8.240 nan 0.000 0.457 290 P HA 0.113 nan 4.420 nan 0.000 0.260 290 P C 0.670 178.005 177.300 0.057 0.000 1.172 290 P CA 0.153 63.302 63.100 0.081 0.000 0.760 290 P CB 0.416 32.145 31.700 0.047 0.000 0.773 291 I N 1.562 122.181 120.570 0.081 0.000 2.584 291 I HA 0.021 4.193 4.170 0.002 0.000 0.255 291 I C 1.494 177.490 176.117 -0.202 0.000 1.145 291 I CA 1.226 62.503 61.300 -0.038 0.000 1.462 291 I CB -0.496 37.532 38.000 0.046 0.000 1.102 291 I HN 0.617 nan 8.210 nan 0.000 0.433 292 G N 0.633 109.335 108.800 -0.163 0.000 2.148 292 G HA2 -0.149 3.812 3.960 0.002 0.000 0.120 292 G HA3 -0.149 3.812 3.960 0.002 0.000 0.120 292 G C -0.030 174.724 174.900 -0.242 0.000 1.034 292 G CA -0.704 44.282 45.100 -0.189 0.000 0.710 292 G HN 0.099 nan 8.290 nan 0.000 0.495 293 F N 1.346 121.298 119.950 0.004 0.000 2.251 293 F HA 0.670 5.199 4.527 0.002 0.000 0.302 293 F C 1.682 177.487 175.800 0.008 0.000 1.143 293 F CA 0.235 58.237 58.000 0.004 0.000 1.104 293 F CB -0.040 38.964 39.000 0.006 0.000 1.516 293 F HN 0.137 nan 8.300 nan 0.000 0.511 294 T N -1.307 113.385 114.554 0.231 0.000 2.860 294 T HA 0.403 4.755 4.350 0.002 0.000 0.299 294 T C 0.861 175.634 174.700 0.121 0.000 1.045 294 T CA -0.306 61.870 62.100 0.127 0.000 1.071 294 T CB 1.139 70.059 68.868 0.086 0.000 0.985 294 T HN 0.678 nan 8.240 nan 0.000 0.537 295 A N 1.081 123.951 122.820 0.084 0.000 2.119 295 A HA -0.019 4.302 4.320 0.002 0.000 0.217 295 A C 2.336 179.951 177.584 0.052 0.000 1.153 295 A CA 1.154 53.234 52.037 0.072 0.000 0.692 295 A CB -0.815 18.223 19.000 0.063 0.000 0.799 295 A HN 0.954 nan 8.150 nan 0.000 0.458 296 Q N -0.172 119.652 119.800 0.040 0.000 2.170 296 Q HA -0.016 4.325 4.340 0.002 0.000 0.203 296 Q C 2.170 178.169 176.000 -0.001 0.000 0.976 296 Q CA 1.441 57.256 55.803 0.020 0.000 0.858 296 Q CB -0.424 28.321 28.738 0.011 0.000 0.907 296 Q HN 0.625 nan 8.270 nan 0.000 0.433 297 A N 1.797 124.613 122.820 -0.006 0.000 1.930 297 A HA -0.152 4.170 4.320 0.002 0.000 0.215 297 A C 1.794 179.316 177.584 -0.104 0.000 1.176 297 A CA 1.323 53.312 52.037 -0.080 0.000 0.632 297 A CB -0.090 18.837 19.000 -0.121 0.000 0.819 297 A HN 0.510 nan 8.150 nan 0.000 0.445 298 E N -2.066 118.126 120.200 -0.014 0.000 2.601 298 E HA 0.416 4.767 4.350 0.002 0.000 0.219 298 E C 1.093 177.731 176.600 0.062 0.000 0.964 298 E CA 0.356 56.774 56.400 0.029 0.000 1.050 298 E CB -0.154 29.642 29.700 0.161 0.000 1.068 298 E HN 0.616 nan 8.360 nan 0.000 0.496 299 G N 2.777 111.610 108.800 0.056 0.000 2.591 299 G HA2 -0.412 3.549 3.960 0.002 0.000 0.298 299 G HA3 -0.412 3.549 3.960 0.002 0.000 0.298 299 G C 0.582 175.524 174.900 0.070 0.000 1.195 299 G CA 0.386 45.525 45.100 0.064 0.000 0.989 299 G HN 0.312 nan 8.290 nan 0.000 0.551 300 N N 3.283 122.018 118.700 0.058 0.000 2.461 300 N HA 0.313 5.054 4.740 0.002 0.000 0.188 300 N C 1.243 176.785 175.510 0.055 0.000 1.134 300 N CA 1.920 54.994 53.050 0.040 0.000 0.878 300 N CB 0.475 38.960 38.487 -0.003 0.000 0.972 300 N HN 1.780 nan 8.380 nan 0.000 0.456 301 G N 0.921 109.772 108.800 0.086 0.000 2.396 301 G HA2 -0.180 3.781 3.960 0.002 0.000 0.254 301 G HA3 -0.180 3.781 3.960 0.002 0.000 0.254 301 G C -1.369 173.624 174.900 0.154 0.000 1.248 301 G CA -0.837 44.344 45.100 0.137 0.000 1.033 301 G HN 0.128 nan 8.290 nan 0.000 0.502 302 F N 0.904 120.877 119.950 0.038 0.000 2.405 302 F HA 0.680 5.208 4.527 0.002 0.000 0.355 302 F C 0.722 176.527 175.800 0.009 0.000 1.121 302 F CA -1.050 56.966 58.000 0.026 0.000 1.112 302 F CB 1.208 40.230 39.000 0.036 0.000 1.126 302 F HN 0.598 nan 8.300 nan 0.000 0.481 303 L N 6.757 127.594 121.223 -0.645 0.000 2.780 303 L HA 0.062 4.403 4.340 0.002 0.000 0.275 303 L C -0.093 176.479 176.870 -0.497 0.000 1.153 303 L CA 0.920 55.448 54.840 -0.520 0.000 0.993 303 L CB -0.612 41.176 42.059 -0.452 0.000 1.319 303 L HN 0.757 nan 8.230 nan 0.000 0.479 304 T N 2.659 117.102 114.554 -0.185 0.000 3.064 304 T HA 0.320 4.672 4.350 0.002 0.000 0.367 304 T C 1.124 175.789 174.700 -0.059 0.000 1.202 304 T CA -0.634 61.429 62.100 -0.061 0.000 1.133 304 T CB 0.358 69.249 68.868 0.037 0.000 1.074 304 T HN 0.499 nan 8.240 nan 0.000 0.519 305 L N 1.171 122.352 121.223 -0.070 0.000 2.362 305 L HA 0.047 4.388 4.340 0.002 0.000 0.219 305 L C 1.721 178.570 176.870 -0.036 0.000 1.134 305 L CA 1.042 55.851 54.840 -0.052 0.000 0.807 305 L CB 0.026 42.054 42.059 -0.052 0.000 0.927 305 L HN 0.581 nan 8.230 nan 0.000 0.447 306 D N -1.110 119.267 120.400 -0.038 0.000 2.424 306 D HA 0.022 4.663 4.640 0.002 0.000 0.220 306 D C 1.728 178.013 176.300 -0.024 0.000 1.150 306 D CA 0.045 54.026 54.000 -0.032 0.000 0.831 306 D CB 0.377 41.153 40.800 -0.040 0.000 0.981 306 D HN 0.117 nan 8.370 nan 0.000 0.500 307 L N -0.278 120.932 121.223 -0.022 0.000 1.961 307 L HA -0.172 4.169 4.340 0.002 0.000 0.209 307 L C 1.981 178.836 176.870 -0.025 0.000 1.075 307 L CA 1.025 55.853 54.840 -0.020 0.000 0.749 307 L CB -0.457 41.591 42.059 -0.018 0.000 0.890 307 L HN -0.032 nan 8.230 nan 0.000 0.433 308 V N 0.181 120.082 119.914 -0.021 0.000 2.285 308 V HA -0.419 3.702 4.120 0.002 0.000 0.260 308 V C 2.586 178.664 176.094 -0.027 0.000 1.089 308 V CA 2.339 64.626 62.300 -0.020 0.000 1.082 308 V CB -0.770 31.049 31.823 -0.006 0.000 0.681 308 V HN 0.528 nan 8.190 nan 0.000 0.452 309 E N -0.453 119.732 120.200 -0.024 0.000 2.106 309 E HA -0.153 4.198 4.350 0.002 0.000 0.192 309 E C 2.449 179.032 176.600 -0.029 0.000 0.984 309 E CA 1.104 57.489 56.400 -0.024 0.000 0.806 309 E CB -0.166 29.523 29.700 -0.019 0.000 0.750 309 E HN 0.605 nan 8.360 nan 0.000 0.458 310 R N 0.344 120.825 120.500 -0.032 0.000 2.200 310 R HA 0.045 4.386 4.340 0.002 0.000 0.208 310 R C 2.440 178.709 176.300 -0.053 0.000 1.033 310 R CA 0.741 56.819 56.100 -0.036 0.000 1.000 310 R CB -0.114 30.168 30.300 -0.031 0.000 0.906 310 R HN 0.267 nan 8.270 nan 0.000 0.462 311 I N -1.984 118.546 120.570 -0.066 0.000 3.603 311 I HA 0.129 4.300 4.170 0.002 0.000 0.297 311 I C 0.018 176.052 176.117 -0.138 0.000 1.269 311 I CA -0.003 61.232 61.300 -0.108 0.000 1.361 311 I CB -0.008 37.925 38.000 -0.113 0.000 1.063 311 I HN -0.266 nan 8.210 nan 0.000 0.448 312 T N 3.046 117.550 114.554 -0.084 0.000 2.866 312 T HA 0.282 4.633 4.350 0.002 0.000 0.293 312 T C 1.227 175.897 174.700 -0.049 0.000 1.005 312 T CA 1.158 63.223 62.100 -0.059 0.000 1.162 312 T CB 0.585 69.439 68.868 -0.024 0.000 0.968 312 T HN 0.777 nan 8.240 nan 0.000 0.530 313 G N 3.050 111.841 108.800 -0.015 0.000 2.176 313 G HA2 -0.205 3.756 3.960 0.002 0.000 0.253 313 G HA3 -0.205 3.756 3.960 0.002 0.000 0.253 313 G C 0.023 174.941 174.900 0.029 0.000 0.979 313 G CA -0.414 44.744 45.100 0.097 0.000 0.641 313 G HN 0.680 nan 8.290 nan 0.000 0.530 314 Q N -0.000 119.598 119.800 -0.337 0.000 2.431 314 Q HA 0.674 5.015 4.340 0.002 0.000 0.249 314 Q C -0.560 175.071 176.000 -0.616 0.000 1.025 314 Q CA -0.003 55.606 55.803 -0.322 0.000 0.835 314 Q CB 0.694 29.292 28.738 -0.233 0.000 1.207 314 Q HN 0.379 nan 8.270 nan 0.000 0.490 315 F N -0.846 119.103 119.950 -0.000 0.000 2.876 315 F HA 0.479 5.007 4.527 0.002 0.000 0.358 315 F C 0.925 176.725 175.800 0.000 0.000 1.209 315 F CA -0.765 57.236 58.000 0.001 0.000 1.051 315 F CB 1.157 40.157 39.000 0.001 0.000 1.474 315 F HN 0.067 nan 8.300 nan 0.000 0.521 316 T N 0.000 114.701 114.554 0.245 0.000 3.816 316 T HA 0.000 4.351 4.350 0.002 0.000 0.228 316 T CA 0.000 62.172 62.100 0.120 0.000 1.349 316 T CB 0.000 68.922 68.868 0.090 0.000 0.612 316 T HN 0.000 nan 8.240 nan 0.000 0.658