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 1p5b_1_A DATA FIRST_RESID 4 DATA SEQUENCE NLFNVEDYRK LAQKRLPKMV YDYLEGGAED EYGVKHNRDV FQQWRFKPKR DATA SEQUENCE LVDVSRRSLQ AEVLGKRQSM PLLIGPTGLN GALWPKGDLA LARAATKAGI DATA SEQUENCE PFVLSTASNM SIEDLARQCD GDLWFQLYVI HREIAQGMVL KALHTGYTTL DATA SEQUENCE VLTTDVAVNG YRERDLHNRF KIPPFLTLKN FEGIDLGKMD KANLEMQAAL DATA SEQUENCE MSRQMDASFN WEALRWLRDL WPHKLLVKGL LSAEDADRCI AEGADGVILS DATA SEQUENCE NHGGRQLDCA ISPMEVLAQS VAKTGKPVLI DSGFRRGSDI VKALALGAEA DATA SEQUENCE VLLGRATLYG LAARGETGVD EVLTLLKADI DRTLAQIGCP DITSLSPDYL DATA SEQUENCE QNE 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.209 175.510 -0.502 0.000 1.280 4 N CA 0.000 52.858 53.050 -0.319 0.000 0.885 4 N CB 0.000 38.512 38.487 0.042 0.000 1.341 5 L N 2.528 123.233 121.223 -0.863 0.000 2.457 5 L HA 0.469 4.809 4.340 0.000 0.000 0.252 5 L C -0.176 176.362 176.870 -0.554 0.000 1.132 5 L CA -0.303 54.150 54.840 -0.646 0.000 0.938 5 L CB 0.033 41.698 42.059 -0.657 0.000 1.246 5 L HN 0.411 nan 8.230 nan 0.000 0.476 6 F N 0.287 120.262 119.950 0.042 0.000 2.706 6 F HA 0.193 4.720 4.527 0.000 0.000 0.308 6 F C 0.837 176.696 175.800 0.099 0.000 1.095 6 F CA -0.664 57.378 58.000 0.070 0.000 1.244 6 F CB 0.298 39.317 39.000 0.031 0.000 1.063 6 F HN 0.496 nan 8.300 nan 0.000 0.582 7 N N -2.866 115.992 118.700 0.263 0.000 3.106 7 N HA 0.221 4.961 4.740 0.000 0.000 0.253 7 N C 0.074 175.742 175.510 0.263 0.000 1.506 7 N CA -0.592 52.588 53.050 0.216 0.000 0.876 7 N CB 0.870 39.455 38.487 0.162 0.000 1.452 7 N HN -0.280 nan 8.380 nan 0.000 0.542 8 V N -0.368 119.665 119.914 0.199 0.000 2.343 8 V HA -0.181 3.939 4.120 0.000 0.000 0.247 8 V C 2.297 178.523 176.094 0.220 0.000 1.051 8 V CA 2.450 64.893 62.300 0.238 0.000 1.036 8 V CB -0.968 30.973 31.823 0.196 0.000 0.654 8 V HN 0.880 nan 8.190 nan 0.000 0.451 9 E N 0.674 120.948 120.200 0.124 0.000 2.118 9 E HA -0.248 4.102 4.350 0.000 0.000 0.195 9 E C 1.750 178.344 176.600 -0.011 0.000 0.992 9 E CA 1.733 58.148 56.400 0.025 0.000 0.804 9 E CB -0.334 29.385 29.700 0.033 0.000 0.741 9 E HN 0.596 nan 8.360 nan 0.000 0.458 10 D N -0.777 119.643 120.400 0.033 0.000 2.144 10 D HA -0.166 4.474 4.640 0.000 0.000 0.199 10 D C 1.541 177.743 176.300 -0.163 0.000 0.984 10 D CA 1.031 54.987 54.000 -0.074 0.000 0.834 10 D CB -0.306 40.428 40.800 -0.110 0.000 0.955 10 D HN 0.369 nan 8.370 nan 0.000 0.465 11 Y N 0.744 121.016 120.300 -0.046 0.000 2.314 11 Y HA -0.014 4.536 4.550 0.000 0.000 0.293 11 Y C 2.529 178.374 175.900 -0.091 0.000 1.129 11 Y CA 0.655 58.743 58.100 -0.020 0.000 1.201 11 Y CB -0.082 38.417 38.460 0.066 0.000 0.999 11 Y HN -0.144 nan 8.280 nan 0.000 0.541 12 R N 0.985 121.365 120.500 -0.200 0.000 2.081 12 R HA -0.182 4.158 4.340 0.000 0.000 0.235 12 R C 1.915 178.074 176.300 -0.234 0.000 1.131 12 R CA 1.717 57.443 56.100 -0.624 0.000 0.960 12 R CB -0.095 29.636 30.300 -0.948 0.000 0.856 12 R HN 0.265 nan 8.270 nan 0.000 0.436 13 K N 0.266 120.560 120.400 -0.176 0.000 2.063 13 K HA -0.174 4.146 4.320 0.000 0.000 0.208 13 K C 2.069 178.590 176.600 -0.131 0.000 1.048 13 K CA 1.305 57.505 56.287 -0.146 0.000 0.928 13 K CB -0.246 32.183 32.500 -0.118 0.000 0.713 13 K HN 0.113 nan 8.250 nan 0.000 0.442 14 L N 0.986 122.139 121.223 -0.117 0.000 2.093 14 L HA -0.054 4.286 4.340 0.000 0.000 0.208 14 L C 2.171 179.036 176.870 -0.008 0.000 1.085 14 L CA 1.593 56.382 54.840 -0.085 0.000 0.755 14 L CB -0.662 41.314 42.059 -0.138 0.000 0.904 14 L HN 0.117 nan 8.230 nan 0.000 0.435 15 A N -1.093 121.758 122.820 0.051 0.000 1.902 15 A HA -0.291 4.029 4.320 0.000 0.000 0.217 15 A C 2.321 179.960 177.584 0.091 0.000 1.181 15 A CA 1.817 53.953 52.037 0.165 0.000 0.623 15 A CB -0.693 18.494 19.000 0.312 0.000 0.818 15 A HN 0.634 nan 8.150 nan 0.000 0.443 16 Q N -0.365 119.361 119.800 -0.123 0.000 2.170 16 Q HA -0.159 4.181 4.340 0.000 0.000 0.203 16 Q C 1.786 177.633 176.000 -0.255 0.000 0.976 16 Q CA 1.642 57.136 55.803 -0.516 0.000 0.858 16 Q CB -0.070 28.139 28.738 -0.881 0.000 0.907 16 Q HN 0.689 nan 8.270 nan 0.000 0.433 17 K N -0.509 119.811 120.400 -0.134 0.000 2.228 17 K HA -0.024 4.296 4.320 0.000 0.000 0.202 17 K C 1.895 178.487 176.600 -0.014 0.000 1.051 17 K CA 0.741 56.983 56.287 -0.075 0.000 0.960 17 K CB 0.220 32.683 32.500 -0.062 0.000 0.743 17 K HN 0.130 nan 8.250 nan 0.000 0.458 18 R N 0.028 120.548 120.500 0.033 0.000 2.237 18 R HA 0.196 4.536 4.340 0.000 0.000 0.195 18 R C 0.393 176.758 176.300 0.108 0.000 0.956 18 R CA 0.014 56.163 56.100 0.081 0.000 1.029 18 R CB 0.256 30.638 30.300 0.137 0.000 0.972 18 R HN 0.033 nan 8.270 nan 0.000 0.493 19 L N 2.137 123.440 121.223 0.133 0.000 2.357 19 L HA 0.338 4.679 4.340 0.000 0.000 0.273 19 L C -2.146 174.814 176.870 0.150 0.000 1.080 19 L CA -2.252 52.697 54.840 0.181 0.000 0.803 19 L CB 0.814 43.043 42.059 0.285 0.000 1.174 19 L HN -0.246 nan 8.230 nan 0.000 0.443 20 P HA 0.041 nan 4.420 nan 0.000 0.271 20 P C 0.204 177.613 177.300 0.181 0.000 1.218 20 P CA -0.363 62.821 63.100 0.140 0.000 0.780 20 P CB 0.694 32.480 31.700 0.144 0.000 0.901 21 K N 2.797 123.286 120.400 0.149 0.000 2.059 21 K HA -0.229 4.091 4.320 0.000 0.000 0.212 21 K C 1.747 178.479 176.600 0.220 0.000 1.050 21 K CA 1.756 58.150 56.287 0.177 0.000 0.927 21 K CB -0.343 32.231 32.500 0.124 0.000 0.714 21 K HN 0.418 nan 8.250 nan 0.000 0.447 22 M N 0.641 120.366 119.600 0.209 0.000 2.106 22 M HA -0.188 4.292 4.480 0.000 0.000 0.259 22 M C 1.789 178.258 176.300 0.281 0.000 1.068 22 M CA 1.738 57.192 55.300 0.256 0.000 1.100 22 M CB 0.039 32.815 32.600 0.293 0.000 1.351 22 M HN 0.099 nan 8.290 nan 0.000 0.404 23 V N -0.527 119.571 119.914 0.306 0.000 2.379 23 V HA -0.263 3.857 4.120 0.000 0.000 0.245 23 V C 2.139 178.400 176.094 0.277 0.000 1.044 23 V CA 1.801 64.297 62.300 0.327 0.000 1.036 23 V CB -1.171 30.847 31.823 0.324 0.000 0.664 23 V HN 0.573 nan 8.190 nan 0.000 0.453 24 Y N 1.607 122.002 120.300 0.159 0.000 2.181 24 Y HA -0.242 4.308 4.550 0.000 0.000 0.288 24 Y C 2.308 178.251 175.900 0.072 0.000 1.146 24 Y CA 1.966 60.140 58.100 0.124 0.000 1.164 24 Y CB -0.325 38.194 38.460 0.098 0.000 0.982 24 Y HN 0.309 nan 8.280 nan 0.000 0.515 25 D N -1.007 119.414 120.400 0.036 0.000 2.144 25 D HA -0.218 4.422 4.640 0.000 0.000 0.200 25 D C 1.915 178.096 176.300 -0.198 0.000 0.978 25 D CA 1.508 55.453 54.000 -0.092 0.000 0.833 25 D CB -0.741 40.069 40.800 0.018 0.000 0.961 25 D HN 0.540 nan 8.370 nan 0.000 0.470 26 Y N 1.450 121.549 120.300 -0.336 0.000 2.181 26 Y HA -0.189 4.361 4.550 0.000 0.000 0.288 26 Y C 2.047 177.761 175.900 -0.311 0.000 1.146 26 Y CA 1.088 58.873 58.100 -0.526 0.000 1.164 26 Y CB -0.459 37.466 38.460 -0.892 0.000 0.982 26 Y HN -0.032 nan 8.280 nan 0.000 0.515 27 L N 0.562 121.517 121.223 -0.448 0.000 2.023 27 L HA -0.046 4.294 4.340 0.000 0.000 0.205 27 L C 2.209 178.843 176.870 -0.394 0.000 1.073 27 L CA 2.448 57.019 54.840 -0.449 0.000 0.745 27 L CB -0.985 40.976 42.059 -0.162 0.000 0.900 27 L HN 0.252 nan 8.230 nan 0.000 0.435 28 E N 0.075 120.003 120.200 -0.454 0.000 2.170 28 E HA 0.127 4.477 4.350 0.000 0.000 0.191 28 E C 1.128 177.589 176.600 -0.233 0.000 0.981 28 E CA 0.508 56.692 56.400 -0.360 0.000 0.830 28 E CB -0.553 28.753 29.700 -0.656 0.000 0.775 28 E HN 0.506 nan 8.360 nan 0.000 0.470 29 G N -0.513 108.137 108.800 -0.250 0.000 2.630 29 G HA2 0.381 4.341 3.960 0.000 0.000 0.236 29 G HA3 0.381 4.341 3.960 0.000 0.000 0.236 29 G C 0.286 175.107 174.900 -0.133 0.000 1.248 29 G CA 0.043 45.041 45.100 -0.169 0.000 0.844 29 G HN 0.296 nan 8.290 nan 0.000 0.588 30 G N -1.119 107.627 108.800 -0.090 0.000 2.816 30 G HA2 0.782 4.742 3.960 0.000 0.000 0.288 30 G HA3 0.782 4.742 3.960 0.000 0.000 0.288 30 G C -0.320 174.548 174.900 -0.054 0.000 1.334 30 G CA -0.082 44.984 45.100 -0.056 0.000 0.978 30 G HN 1.154 nan 8.290 nan 0.000 0.493 31 A N -0.592 122.212 122.820 -0.026 0.000 2.425 31 A HA 0.570 4.890 4.320 0.000 0.000 0.249 31 A C 0.990 178.562 177.584 -0.021 0.000 1.084 31 A CA 0.751 52.784 52.037 -0.007 0.000 0.781 31 A CB -0.274 18.737 19.000 0.019 0.000 1.019 31 A HN 0.945 nan 8.150 nan 0.000 0.490 32 E N 0.606 120.819 120.200 0.020 0.000 3.486 32 E HA -0.308 4.042 4.350 0.000 0.000 0.453 32 E C 0.143 176.667 176.600 -0.127 0.000 1.625 32 E CA 1.959 58.362 56.400 0.004 0.000 1.338 32 E CB -0.864 28.845 29.700 0.016 0.000 1.366 32 E HN 0.824 nan 8.360 nan 0.000 0.423 33 D N 1.667 121.895 120.400 -0.287 0.000 2.363 33 D HA -0.030 4.610 4.640 0.000 0.000 0.220 33 D C -0.016 176.014 176.300 -0.450 0.000 0.994 33 D CA 0.970 54.651 54.000 -0.532 0.000 0.890 33 D CB -0.070 39.998 40.800 -1.221 0.000 0.906 33 D HN 0.367 nan 8.370 nan 0.000 0.530 34 E N -0.921 119.136 120.200 -0.239 0.000 2.791 34 E HA -0.244 4.106 4.350 0.000 0.000 0.271 34 E C 0.179 176.809 176.600 0.050 0.000 1.044 34 E CA 0.067 56.422 56.400 -0.074 0.000 0.814 34 E CB -1.478 28.194 29.700 -0.047 0.000 1.400 34 E HN 0.417 nan 8.360 nan 0.000 0.423 35 Y N -0.797 119.519 120.300 0.027 0.000 2.395 35 Y HA 0.011 4.561 4.550 0.000 0.000 0.293 35 Y C 2.514 178.448 175.900 0.057 0.000 1.123 35 Y CA 1.197 59.315 58.100 0.030 0.000 1.227 35 Y CB -0.619 37.845 38.460 0.007 0.000 1.012 35 Y HN 0.253 nan 8.280 nan 0.000 0.552 36 G N 0.302 109.219 108.800 0.196 0.000 2.414 36 G HA2 -0.206 3.754 3.960 0.000 0.000 0.215 36 G HA3 -0.206 3.754 3.960 0.000 0.000 0.215 36 G C 1.799 176.788 174.900 0.149 0.000 1.188 36 G CA 1.837 47.035 45.100 0.163 0.000 0.783 36 G HN 0.339 nan 8.290 nan 0.000 0.537 37 V N -0.313 119.664 119.914 0.105 0.000 2.407 37 V HA -0.072 4.049 4.120 0.000 0.000 0.248 37 V C 2.514 178.667 176.094 0.098 0.000 1.055 37 V CA 2.468 64.818 62.300 0.084 0.000 1.049 37 V CB -0.642 31.215 31.823 0.057 0.000 0.662 37 V HN 0.264 nan 8.190 nan 0.000 0.455 38 K N 0.866 121.341 120.400 0.125 0.000 2.057 38 K HA -0.195 4.125 4.320 0.000 0.000 0.206 38 K C 2.235 178.905 176.600 0.118 0.000 1.050 38 K CA 2.050 58.409 56.287 0.120 0.000 0.935 38 K CB -0.867 31.717 32.500 0.141 0.000 0.715 38 K HN 0.727 nan 8.250 nan 0.000 0.439 39 H N 0.296 119.391 119.070 0.042 0.000 2.387 39 H HA 0.047 4.603 4.556 0.000 0.000 0.299 39 H C 1.399 176.710 175.328 -0.028 0.000 1.090 39 H CA 2.280 58.329 56.048 0.001 0.000 1.332 39 H CB -0.254 29.510 29.762 0.004 0.000 1.386 39 H HN 0.417 nan 8.280 nan 0.000 0.516 40 N N -0.530 118.129 118.700 -0.069 0.000 2.205 40 N HA -0.145 4.595 4.740 0.000 0.000 0.186 40 N C 1.671 177.119 175.510 -0.104 0.000 1.015 40 N CA 0.636 53.601 53.050 -0.142 0.000 0.862 40 N CB 0.172 38.658 38.487 -0.001 0.000 0.986 40 N HN 0.255 nan 8.380 nan 0.000 0.429 41 R N 0.931 121.439 120.500 0.013 0.000 2.066 41 R HA 0.008 4.348 4.340 0.000 0.000 0.224 41 R C 1.310 177.667 176.300 0.095 0.000 1.122 41 R CA 0.882 57.060 56.100 0.129 0.000 0.974 41 R CB -0.747 29.613 30.300 0.099 0.000 0.871 41 R HN 0.255 nan 8.270 nan 0.000 0.435 42 D N 0.886 121.279 120.400 -0.010 0.000 2.178 42 D HA -0.119 4.521 4.640 0.000 0.000 0.201 42 D C 1.817 178.046 176.300 -0.118 0.000 0.980 42 D CA 0.668 54.650 54.000 -0.030 0.000 0.842 42 D CB -0.241 40.555 40.800 -0.006 0.000 0.948 42 D HN -0.060 nan 8.370 nan 0.000 0.472 43 V N 0.230 119.948 119.914 -0.327 0.000 2.568 43 V HA -0.249 3.871 4.120 0.000 0.000 0.253 43 V C 1.729 177.677 176.094 -0.243 0.000 1.072 43 V CA 1.296 63.352 62.300 -0.406 0.000 1.084 43 V CB -0.553 30.885 31.823 -0.641 0.000 0.676 43 V HN 0.025 nan 8.190 nan 0.000 0.469 44 F N -0.287 119.660 119.950 -0.006 0.000 2.365 44 F HA -0.078 4.449 4.527 0.000 0.000 0.300 44 F C 2.339 178.193 175.800 0.091 0.000 1.090 44 F CA 1.005 59.068 58.000 0.104 0.000 1.408 44 F CB -0.389 38.592 39.000 -0.032 0.000 1.060 44 F HN 0.234 nan 8.300 nan 0.000 0.534 45 Q N 0.007 119.878 119.800 0.117 0.000 2.482 45 Q HA -0.049 4.291 4.340 0.000 0.000 0.209 45 Q C 1.611 177.564 176.000 -0.078 0.000 0.961 45 Q CA 0.446 56.267 55.803 0.030 0.000 0.945 45 Q CB -0.326 28.414 28.738 0.003 0.000 1.012 45 Q HN 0.443 nan 8.270 nan 0.000 0.515 46 Q N -1.172 118.503 119.800 -0.208 0.000 2.472 46 Q HA -0.027 4.314 4.340 0.000 0.000 0.208 46 Q C -0.122 175.485 176.000 -0.655 0.000 0.958 46 Q CA 0.456 55.928 55.803 -0.551 0.000 0.932 46 Q CB 0.407 28.551 28.738 -0.989 0.000 1.007 46 Q HN 0.337 nan 8.270 nan 0.000 0.508 47 W N 0.480 121.733 121.300 -0.078 0.000 2.915 47 W HA 0.476 5.136 4.660 0.000 0.000 0.337 47 W C 0.154 176.560 176.519 -0.188 0.000 1.102 47 W CA -0.724 56.559 57.345 -0.104 0.000 1.224 47 W CB 1.256 30.659 29.460 -0.096 0.000 1.416 47 W HN -0.217 nan 8.180 nan 0.000 0.503 48 R N 0.767 121.288 120.500 0.034 0.000 2.888 48 R HA 0.614 4.954 4.340 0.000 0.000 0.266 48 R C -1.114 175.140 176.300 -0.076 0.000 1.020 48 R CA -1.020 55.017 56.100 -0.103 0.000 0.963 48 R CB 2.084 32.380 30.300 -0.007 0.000 1.197 48 R HN 0.127 nan 8.270 nan 0.000 0.481 49 F N 0.958 120.988 119.950 0.134 0.000 2.379 49 F HA 0.364 4.891 4.527 0.000 0.000 0.332 49 F C 0.532 176.399 175.800 0.110 0.000 1.096 49 F CA -0.408 57.671 58.000 0.131 0.000 1.105 49 F CB 1.007 40.074 39.000 0.113 0.000 1.189 49 F HN 0.056 nan 8.300 nan 0.000 0.515 50 K N 3.567 124.176 120.400 0.348 0.000 2.540 50 K HA 0.338 4.658 4.320 0.000 0.000 0.218 50 K C -2.644 174.062 176.600 0.176 0.000 1.017 50 K CA -1.713 54.691 56.287 0.195 0.000 1.029 50 K CB 1.078 33.653 32.500 0.124 0.000 1.348 50 K HN 0.239 nan 8.250 nan 0.000 0.508 51 P HA -0.033 nan 4.420 nan 0.000 0.268 51 P C -0.873 176.475 177.300 0.080 0.000 1.208 51 P CA -0.038 63.140 63.100 0.129 0.000 0.777 51 P CB 0.595 32.342 31.700 0.079 0.000 0.875 52 K N 3.174 123.629 120.400 0.092 0.000 2.316 52 K HA 0.342 4.662 4.320 0.000 0.000 0.267 52 K C 0.173 176.800 176.600 0.045 0.000 1.025 52 K CA -0.692 55.616 56.287 0.035 0.000 0.896 52 K CB 1.150 33.662 32.500 0.020 0.000 1.124 52 K HN 0.293 nan 8.250 nan 0.000 0.451 53 R N 1.694 122.209 120.500 0.025 0.000 2.543 53 R HA 0.304 4.644 4.340 0.000 0.000 0.268 53 R C 0.712 177.022 176.300 0.016 0.000 1.067 53 R CA -0.699 55.414 56.100 0.021 0.000 1.142 53 R CB 0.112 30.422 30.300 0.016 0.000 1.110 53 R HN 0.673 nan 8.270 nan 0.000 0.549 54 L N -0.478 120.753 121.223 0.013 0.000 3.717 54 L HA -0.220 4.120 4.340 0.000 0.000 0.414 54 L C -0.659 176.218 176.870 0.012 0.000 1.228 54 L CA 0.110 54.956 54.840 0.010 0.000 0.918 54 L CB -1.487 40.577 42.059 0.007 0.000 1.865 54 L HN 0.206 nan 8.230 nan 0.000 0.922 55 V N -0.557 119.367 119.914 0.017 0.000 2.483 55 V HA 0.268 4.388 4.120 0.000 0.000 0.295 55 V C 0.496 176.597 176.094 0.013 0.000 1.035 55 V CA -0.478 61.835 62.300 0.020 0.000 0.896 55 V CB 1.908 33.753 31.823 0.037 0.000 0.986 55 V HN 0.156 nan 8.190 nan 0.000 0.447 56 D N 3.903 124.309 120.400 0.010 0.000 2.349 56 D HA 0.072 4.712 4.640 0.000 0.000 0.266 56 D C 0.544 176.844 176.300 0.001 0.000 1.293 56 D CA 0.076 54.078 54.000 0.004 0.000 0.926 56 D CB 1.188 41.990 40.800 0.003 0.000 1.090 56 D HN 0.429 nan 8.370 nan 0.000 0.502 57 V N 1.762 121.673 119.914 -0.004 0.000 3.006 57 V HA 0.153 4.273 4.120 0.000 0.000 0.357 57 V C 1.472 177.557 176.094 -0.015 0.000 1.377 57 V CA 0.301 62.593 62.300 -0.012 0.000 1.198 57 V CB -0.387 31.425 31.823 -0.018 0.000 1.216 57 V HN 0.437 nan 8.190 nan 0.000 0.520 58 S N 0.554 116.248 115.700 -0.011 0.000 2.453 58 S HA 0.116 4.586 4.470 0.000 0.000 0.231 58 S C 0.993 175.585 174.600 -0.013 0.000 1.005 58 S CA 0.292 58.485 58.200 -0.011 0.000 0.949 58 S CB -0.265 62.931 63.200 -0.008 0.000 0.774 58 S HN 0.734 nan 8.310 nan 0.000 0.510 59 R N 1.213 121.705 120.500 -0.014 0.000 2.371 59 R HA 0.520 4.860 4.340 0.000 0.000 0.312 59 R C -0.871 175.417 176.300 -0.020 0.000 0.980 59 R CA -0.350 55.741 56.100 -0.015 0.000 0.867 59 R CB 1.473 31.766 30.300 -0.012 0.000 1.163 59 R HN 0.258 nan 8.270 nan 0.000 0.492 60 R N 0.744 121.229 120.500 -0.025 0.000 2.778 60 R HA 0.505 4.846 4.340 0.000 0.000 0.277 60 R C -0.620 175.660 176.300 -0.033 0.000 0.977 60 R CA -0.816 55.264 56.100 -0.033 0.000 0.950 60 R CB 2.341 32.617 30.300 -0.041 0.000 1.165 60 R HN 0.333 nan 8.270 nan 0.000 0.474 61 S N 1.531 117.208 115.700 -0.038 0.000 2.614 61 S HA 0.338 4.808 4.470 0.000 0.000 0.288 61 S C -0.351 174.222 174.600 -0.045 0.000 1.137 61 S CA -0.566 57.613 58.200 -0.036 0.000 0.992 61 S CB 1.050 64.233 63.200 -0.029 0.000 1.026 61 S HN 0.484 nan 8.310 nan 0.000 0.486 62 L N 3.533 124.729 121.223 -0.045 0.000 2.616 62 L HA 0.353 4.693 4.340 0.000 0.000 0.229 62 L C 1.125 177.968 176.870 -0.046 0.000 1.110 62 L CA 0.471 55.280 54.840 -0.052 0.000 0.884 62 L CB -0.069 41.958 42.059 -0.054 0.000 1.115 62 L HN 0.665 nan 8.230 nan 0.000 0.481 63 Q N 0.855 120.633 119.800 -0.037 0.000 2.349 63 Q HA 0.450 4.790 4.340 0.000 0.000 0.287 63 Q C -0.075 175.908 176.000 -0.028 0.000 1.044 63 Q CA 0.508 56.293 55.803 -0.031 0.000 0.918 63 Q CB 1.159 29.883 28.738 -0.024 0.000 1.242 63 Q HN 0.254 nan 8.270 nan 0.000 0.405 64 A N 2.650 125.455 122.820 -0.024 0.000 2.604 64 A HA 0.409 4.729 4.320 0.000 0.000 0.295 64 A C -1.198 176.382 177.584 -0.006 0.000 1.067 64 A CA -0.805 51.221 52.037 -0.018 0.000 0.683 64 A CB 1.365 20.348 19.000 -0.028 0.000 1.281 64 A HN 0.683 nan 8.150 nan 0.000 0.407 65 E N 0.362 120.564 120.200 0.003 0.000 2.227 65 E HA 0.495 4.845 4.350 0.000 0.000 0.282 65 E C -1.109 175.509 176.600 0.030 0.000 1.015 65 E CA -0.524 55.887 56.400 0.018 0.000 0.823 65 E CB 1.917 31.628 29.700 0.018 0.000 1.081 65 E HN 0.324 nan 8.360 nan 0.000 0.396 66 V N 5.418 125.365 119.914 0.056 0.000 2.407 66 V HA 0.133 4.253 4.120 0.000 0.000 0.291 66 V C 0.399 176.566 176.094 0.121 0.000 1.018 66 V CA -0.530 61.825 62.300 0.092 0.000 0.842 66 V CB 0.781 32.673 31.823 0.116 0.000 0.996 66 V HN 0.777 nan 8.190 nan 0.000 0.426 67 L N 4.876 126.154 121.223 0.091 0.000 3.717 67 L HA -0.264 4.076 4.340 0.000 0.000 0.411 67 L C 1.383 178.281 176.870 0.046 0.000 1.233 67 L CA 0.640 55.518 54.840 0.064 0.000 0.917 67 L CB -1.786 40.308 42.059 0.057 0.000 1.902 67 L HN 1.133 nan 8.230 nan 0.000 0.894 68 G N -0.414 108.411 108.800 0.041 0.000 2.205 68 G HA2 -0.346 3.614 3.960 0.000 0.000 0.261 68 G HA3 -0.346 3.614 3.960 0.000 0.000 0.261 68 G C 0.203 175.122 174.900 0.030 0.000 0.980 68 G CA 0.734 45.851 45.100 0.029 0.000 0.632 68 G HN 0.495 nan 8.290 nan 0.000 0.533 69 K N 0.627 121.056 120.400 0.048 0.000 2.265 69 K HA 0.556 4.876 4.320 0.000 0.000 0.267 69 K C 0.598 177.225 176.600 0.045 0.000 0.994 69 K CA -0.981 55.335 56.287 0.048 0.000 0.860 69 K CB 0.692 33.235 32.500 0.071 0.000 1.099 69 K HN 0.245 nan 8.250 nan 0.000 0.448 70 R N 3.272 123.788 120.500 0.026 0.000 2.537 70 R HA 0.021 4.361 4.340 0.000 0.000 0.280 70 R C -0.595 175.712 176.300 0.012 0.000 1.058 70 R CA 0.335 56.443 56.100 0.014 0.000 1.057 70 R CB 0.568 30.871 30.300 0.005 0.000 0.973 70 R HN 0.781 nan 8.270 nan 0.000 0.438 71 Q N 1.667 121.467 119.800 -0.001 0.000 2.544 71 Q HA 0.315 4.655 4.340 0.000 0.000 0.291 71 Q C -0.154 175.829 176.000 -0.028 0.000 1.068 71 Q CA -1.020 54.774 55.803 -0.014 0.000 0.785 71 Q CB 1.706 30.431 28.738 -0.022 0.000 1.481 71 Q HN 0.459 nan 8.270 nan 0.000 0.430 72 S N 0.175 115.853 115.700 -0.037 0.000 2.400 72 S HA -0.062 4.408 4.470 0.000 0.000 0.232 72 S C 0.733 175.304 174.600 -0.048 0.000 1.025 72 S CA 1.978 60.154 58.200 -0.041 0.000 0.993 72 S CB -0.443 62.731 63.200 -0.044 0.000 0.808 72 S HN 0.632 nan 8.310 nan 0.000 0.478 73 M N -2.194 117.371 119.600 -0.059 0.000 2.643 73 M HA 0.423 4.903 4.480 0.000 0.000 0.276 73 M C -3.343 172.909 176.300 -0.080 0.000 1.200 73 M CA -1.956 53.303 55.300 -0.067 0.000 0.863 73 M CB 1.591 34.147 32.600 -0.072 0.000 1.711 73 M HN -0.341 nan 8.290 nan 0.000 0.492 74 P HA 0.275 nan 4.420 nan 0.000 0.249 74 P C -1.161 176.057 177.300 -0.137 0.000 1.686 74 P CA 0.596 63.638 63.100 -0.096 0.000 0.873 74 P CB -0.375 31.273 31.700 -0.086 0.000 1.828 75 L N -0.289 120.845 121.223 -0.148 0.000 2.333 75 L HA 0.608 4.948 4.340 0.000 0.000 0.263 75 L C -0.401 176.339 176.870 -0.217 0.000 1.014 75 L CA -1.162 53.567 54.840 -0.184 0.000 0.820 75 L CB 1.909 43.873 42.059 -0.158 0.000 1.352 75 L HN -0.179 nan 8.230 nan 0.000 0.421 76 L N 1.258 122.329 121.223 -0.254 0.000 2.465 76 L HA 0.490 4.830 4.340 0.000 0.000 0.257 76 L C -0.783 175.934 176.870 -0.253 0.000 0.988 76 L CA -0.085 54.565 54.840 -0.317 0.000 0.827 76 L CB 2.304 44.071 42.059 -0.486 0.000 1.397 76 L HN 0.332 nan 8.230 nan 0.000 0.410 77 I N 1.575 122.015 120.570 -0.217 0.000 2.297 77 I HA 0.383 4.553 4.170 0.000 0.000 0.291 77 I C 0.887 176.848 176.117 -0.261 0.000 1.033 77 I CA -0.159 61.059 61.300 -0.137 0.000 1.253 77 I CB 1.094 39.136 38.000 0.070 0.000 1.396 77 I HN 0.734 nan 8.210 nan 0.000 0.476 78 G N 8.006 116.658 108.800 -0.246 0.000 2.634 78 G HA2 0.286 4.246 3.960 0.000 0.000 0.255 78 G HA3 0.286 4.246 3.960 0.000 0.000 0.255 78 G C -2.508 172.207 174.900 -0.308 0.000 1.205 78 G CA -0.885 44.046 45.100 -0.282 0.000 0.884 78 G HN 0.383 nan 8.290 nan 0.000 0.549 79 P HA 0.213 nan 4.420 nan 0.000 0.276 79 P C -0.444 176.738 177.300 -0.197 0.000 1.253 79 P CA 0.109 63.028 63.100 -0.303 0.000 0.766 79 P CB 0.896 32.392 31.700 -0.340 0.000 0.845 80 T N 0.160 114.655 114.554 -0.098 0.000 2.921 80 T HA 0.634 4.984 4.350 0.000 0.000 0.297 80 T C 0.216 174.973 174.700 0.095 0.000 1.013 80 T CA -0.824 61.270 62.100 -0.009 0.000 0.990 80 T CB 1.546 70.408 68.868 -0.010 0.000 1.023 80 T HN 0.340 nan 8.240 nan 0.000 0.447 81 G N 1.989 110.891 108.800 0.169 0.000 2.476 81 G HA2 0.539 4.499 3.960 0.000 0.000 0.286 81 G HA3 0.539 4.499 3.960 0.000 0.000 0.286 81 G C 0.499 175.566 174.900 0.279 0.000 1.177 81 G CA -1.218 44.020 45.100 0.231 0.000 0.870 81 G HN 1.394 nan 8.290 nan 0.000 0.528 82 L N -0.576 120.776 121.223 0.214 0.000 3.717 82 L HA -0.260 4.081 4.340 0.000 0.000 0.411 82 L C 1.552 178.541 176.870 0.198 0.000 1.233 82 L CA 0.302 55.238 54.840 0.159 0.000 0.917 82 L CB -1.895 40.216 42.059 0.086 0.000 1.902 82 L HN 0.743 nan 8.230 nan 0.000 0.894 83 N N 0.521 119.345 118.700 0.207 0.000 2.272 83 N HA -0.128 4.612 4.740 0.000 0.000 0.185 83 N C 1.877 177.519 175.510 0.220 0.000 1.014 83 N CA 1.042 54.224 53.050 0.219 0.000 0.870 83 N CB -0.078 38.538 38.487 0.215 0.000 0.975 83 N HN 0.640 nan 8.380 nan 0.000 0.433 84 G N 0.360 109.264 108.800 0.173 0.000 2.509 84 G HA2 -0.116 3.844 3.960 0.000 0.000 0.218 84 G HA3 -0.116 3.844 3.960 0.000 0.000 0.218 84 G C 1.387 176.405 174.900 0.196 0.000 1.124 84 G CA 0.640 45.846 45.100 0.175 0.000 0.776 84 G HN 0.354 nan 8.290 nan 0.000 0.547 85 A N -0.018 122.889 122.820 0.145 0.000 2.123 85 A HA 0.362 4.682 4.320 0.000 0.000 0.214 85 A C 2.208 179.969 177.584 0.294 0.000 1.152 85 A CA 0.456 52.600 52.037 0.179 0.000 0.728 85 A CB -0.078 18.974 19.000 0.087 0.000 0.814 85 A HN 0.360 nan 8.150 nan 0.000 0.464 86 L N -2.854 118.554 121.223 0.309 0.000 2.298 86 L HA 0.197 4.537 4.340 0.000 0.000 0.209 86 L C 0.814 177.948 176.870 0.441 0.000 1.084 86 L CA 0.143 55.194 54.840 0.351 0.000 0.816 86 L CB 0.169 42.423 42.059 0.324 0.000 0.967 86 L HN 0.616 nan 8.230 nan 0.000 0.460 87 W N 0.515 121.919 121.300 0.173 0.000 3.571 87 W HA 0.252 4.912 4.660 0.000 0.000 0.294 87 W C -2.987 173.618 176.519 0.144 0.000 1.257 87 W CA -1.570 55.858 57.345 0.140 0.000 1.206 87 W CB 1.482 31.006 29.460 0.107 0.000 1.325 87 W HN -0.332 nan 8.180 nan 0.000 0.546 88 P HA -0.034 nan 4.420 nan 0.000 0.262 88 P C -0.361 177.070 177.300 0.218 0.000 1.182 88 P CA 1.533 64.653 63.100 0.032 0.000 0.761 88 P CB 0.309 31.912 31.700 -0.162 0.000 0.795 89 K N 1.847 122.361 120.400 0.190 0.000 3.035 89 K HA -0.215 4.105 4.320 0.000 0.000 0.262 89 K C 1.382 178.098 176.600 0.192 0.000 1.024 89 K CA 0.491 56.879 56.287 0.168 0.000 0.748 89 K CB -2.071 30.510 32.500 0.135 0.000 1.247 89 K HN 0.756 nan 8.250 nan 0.000 0.482 90 G N 1.519 110.462 108.800 0.239 0.000 2.469 90 G HA2 -0.308 3.652 3.960 0.000 0.000 0.220 90 G HA3 -0.308 3.652 3.960 0.000 0.000 0.220 90 G C 1.107 176.074 174.900 0.111 0.000 1.136 90 G CA 1.336 46.571 45.100 0.225 0.000 0.759 90 G HN 0.420 nan 8.290 nan 0.000 0.562 91 D N 0.058 120.526 120.400 0.114 0.000 2.117 91 D HA -0.102 4.538 4.640 0.000 0.000 0.197 91 D C 2.403 178.594 176.300 -0.183 0.000 0.987 91 D CA 0.829 54.869 54.000 0.067 0.000 0.829 91 D CB -0.172 40.734 40.800 0.176 0.000 0.961 91 D HN 0.275 nan 8.370 nan 0.000 0.460 92 L N 1.064 122.237 121.223 -0.083 0.000 2.093 92 L HA -0.015 4.325 4.340 0.000 0.000 0.208 92 L C 2.205 178.972 176.870 -0.170 0.000 1.085 92 L CA 1.463 56.224 54.840 -0.131 0.000 0.755 92 L CB -0.705 41.338 42.059 -0.027 0.000 0.904 92 L HN -0.076 nan 8.230 nan 0.000 0.435 93 A N -0.429 122.335 122.820 -0.092 0.000 1.877 93 A HA -0.186 4.134 4.320 0.000 0.000 0.216 93 A C 2.263 179.734 177.584 -0.189 0.000 1.186 93 A CA 2.087 54.062 52.037 -0.103 0.000 0.620 93 A CB -0.913 18.054 19.000 -0.056 0.000 0.822 93 A HN 0.481 nan 8.150 nan 0.000 0.443 94 L N -0.830 120.253 121.223 -0.233 0.000 2.017 94 L HA -0.189 4.151 4.340 0.000 0.000 0.208 94 L C 3.123 179.708 176.870 -0.474 0.000 1.073 94 L CA 1.107 55.791 54.840 -0.262 0.000 0.745 94 L CB -0.545 41.453 42.059 -0.102 0.000 0.894 94 L HN 0.437 nan 8.230 nan 0.000 0.432 95 A N 0.056 122.319 122.820 -0.928 0.000 1.877 95 A HA -0.213 4.107 4.320 0.000 0.000 0.216 95 A C 2.390 179.776 177.584 -0.331 0.000 1.186 95 A CA 1.593 53.115 52.037 -0.859 0.000 0.620 95 A CB -0.491 17.997 19.000 -0.853 0.000 0.822 95 A HN 0.320 nan 8.150 nan 0.000 0.443 96 R N -0.699 119.648 120.500 -0.255 0.000 2.092 96 R HA -0.029 4.311 4.340 0.000 0.000 0.231 96 R C 2.448 178.673 176.300 -0.125 0.000 1.119 96 R CA 1.060 57.071 56.100 -0.148 0.000 0.970 96 R CB -0.391 29.842 30.300 -0.113 0.000 0.864 96 R HN 0.526 nan 8.270 nan 0.000 0.440 97 A N 1.220 123.955 122.820 -0.141 0.000 1.898 97 A HA -0.062 4.258 4.320 0.000 0.000 0.216 97 A C 2.361 179.887 177.584 -0.098 0.000 1.181 97 A CA 1.514 53.481 52.037 -0.116 0.000 0.620 97 A CB -0.568 18.355 19.000 -0.129 0.000 0.819 97 A HN 0.369 nan 8.150 nan 0.000 0.442 98 A N -0.848 121.916 122.820 -0.093 0.000 1.902 98 A HA -0.106 4.214 4.320 0.000 0.000 0.217 98 A C 2.306 179.853 177.584 -0.062 0.000 1.181 98 A CA 2.361 54.362 52.037 -0.060 0.000 0.623 98 A CB -1.328 17.676 19.000 0.006 0.000 0.818 98 A HN 0.425 nan 8.150 nan 0.000 0.443 99 T N -0.110 114.405 114.554 -0.065 0.000 2.746 99 T HA -0.125 4.225 4.350 0.000 0.000 0.267 99 T C 1.902 176.570 174.700 -0.053 0.000 1.039 99 T CA 1.694 63.761 62.100 -0.054 0.000 1.142 99 T CB -0.187 68.647 68.868 -0.056 0.000 0.866 99 T HN 0.524 nan 8.240 nan 0.000 0.444 100 K N 0.921 121.285 120.400 -0.060 0.000 2.148 100 K HA 0.088 4.408 4.320 0.000 0.000 0.204 100 K C 2.336 178.904 176.600 -0.052 0.000 1.050 100 K CA 1.027 57.282 56.287 -0.053 0.000 0.942 100 K CB -0.112 32.354 32.500 -0.057 0.000 0.724 100 K HN 0.273 nan 8.250 nan 0.000 0.446 101 A N 0.160 122.945 122.820 -0.060 0.000 2.208 101 A HA 0.171 4.491 4.320 0.000 0.000 0.209 101 A C 1.296 178.847 177.584 -0.056 0.000 1.161 101 A CA 0.823 52.824 52.037 -0.060 0.000 0.782 101 A CB -0.139 18.818 19.000 -0.072 0.000 0.816 101 A HN 0.385 nan 8.150 nan 0.000 0.477 102 G N -0.353 108.416 108.800 -0.052 0.000 2.137 102 G HA2 -0.208 3.752 3.960 0.000 0.000 0.237 102 G HA3 -0.208 3.752 3.960 0.000 0.000 0.237 102 G C 0.109 174.976 174.900 -0.056 0.000 1.002 102 G CA 0.403 45.476 45.100 -0.046 0.000 0.702 102 G HN 1.406 nan 8.290 nan 0.000 0.515 103 I N -3.299 117.227 120.570 -0.073 0.000 2.892 103 I HA 0.844 5.014 4.170 0.000 0.000 0.306 103 I C -2.667 173.372 176.117 -0.130 0.000 1.078 103 I CA -3.397 57.838 61.300 -0.108 0.000 1.032 103 I CB 2.051 39.973 38.000 -0.131 0.000 1.229 103 I HN -0.139 nan 8.210 nan 0.000 0.435 104 P HA 0.236 nan 4.420 nan 0.000 0.274 104 P C -1.411 175.716 177.300 -0.288 0.000 1.237 104 P CA 0.104 62.995 63.100 -0.350 0.000 0.793 104 P CB 0.353 31.538 31.700 -0.859 0.000 0.977 105 F N 1.942 121.698 119.950 -0.323 0.000 2.529 105 F HA 0.515 5.042 4.527 0.000 0.000 0.320 105 F C -1.424 174.299 175.800 -0.128 0.000 1.118 105 F CA -0.964 56.913 58.000 -0.205 0.000 0.915 105 F CB 1.317 40.259 39.000 -0.097 0.000 1.161 105 F HN -0.047 nan 8.300 nan 0.000 0.445 106 V N 7.346 126.622 119.914 -1.064 0.000 2.347 106 V HA 0.336 4.456 4.120 0.000 0.000 0.280 106 V C -0.423 175.094 176.094 -0.963 0.000 1.021 106 V CA -0.775 61.121 62.300 -0.674 0.000 0.847 106 V CB 1.105 32.693 31.823 -0.392 0.000 0.990 106 V HN 0.741 nan 8.190 nan 0.000 0.444 107 L N 4.643 125.640 121.223 -0.376 0.000 2.331 107 L HA 0.490 4.830 4.340 0.000 0.000 0.278 107 L C 0.657 177.458 176.870 -0.114 0.000 1.106 107 L CA 0.919 55.731 54.840 -0.046 0.000 0.824 107 L CB 1.595 43.915 42.059 0.435 0.000 1.142 107 L HN 0.755 nan 8.230 nan 0.000 0.443 108 S N 2.448 118.105 115.700 -0.072 0.000 2.601 108 S HA 0.174 4.644 4.470 0.000 0.000 0.271 108 S C 1.171 175.750 174.600 -0.034 0.000 1.305 108 S CA -0.040 58.077 58.200 -0.139 0.000 1.022 108 S CB 1.201 64.390 63.200 -0.018 0.000 0.940 108 S HN 0.843 nan 8.310 nan 0.000 0.525 109 T N 3.567 118.034 114.554 -0.145 0.000 2.881 109 T HA 0.008 4.358 4.350 0.000 0.000 0.270 109 T C 1.209 176.068 174.700 0.264 0.000 1.068 109 T CA 1.388 63.537 62.100 0.081 0.000 1.131 109 T CB -0.295 68.636 68.868 0.104 0.000 0.871 109 T HN 0.731 nan 8.240 nan 0.000 0.479 110 A N 1.905 124.899 122.820 0.289 0.000 2.640 110 A HA 0.471 4.791 4.320 0.000 0.000 0.282 110 A C 1.084 178.805 177.584 0.228 0.000 1.357 110 A CA -0.530 51.695 52.037 0.314 0.000 0.946 110 A CB -0.363 18.828 19.000 0.319 0.000 1.065 110 A HN 0.452 nan 8.150 nan 0.000 0.541 111 S N -0.361 115.462 115.700 0.206 0.000 2.600 111 S HA 0.185 4.655 4.470 0.000 0.000 0.265 111 S C 0.570 175.268 174.600 0.163 0.000 1.325 111 S CA -0.441 57.873 58.200 0.190 0.000 1.002 111 S CB 0.557 63.885 63.200 0.214 0.000 0.921 111 S HN 0.388 nan 8.310 nan 0.000 0.554 112 N N -0.120 118.667 118.700 0.144 0.000 2.280 112 N HA 0.181 4.921 4.740 0.000 0.000 0.192 112 N C -0.298 175.277 175.510 0.109 0.000 1.109 112 N CA 0.205 53.319 53.050 0.106 0.000 0.855 112 N CB 0.138 38.670 38.487 0.076 0.000 0.974 112 N HN 0.689 nan 8.380 nan 0.000 0.482 113 M N 1.146 120.825 119.600 0.131 0.000 2.321 113 M HA 0.238 4.718 4.480 0.000 0.000 0.315 113 M C -0.187 176.188 176.300 0.125 0.000 1.052 113 M CA -0.553 54.820 55.300 0.120 0.000 0.936 113 M CB 1.642 34.316 32.600 0.125 0.000 1.639 113 M HN -0.030 nan 8.290 nan 0.000 0.433 114 S N 3.873 119.629 115.700 0.094 0.000 2.584 114 S HA 0.194 4.664 4.470 0.000 0.000 0.270 114 S C 1.115 175.763 174.600 0.079 0.000 1.346 114 S CA -0.529 57.710 58.200 0.064 0.000 1.018 114 S CB 0.485 63.707 63.200 0.037 0.000 0.899 114 S HN 0.807 nan 8.310 nan 0.000 0.542 115 I N 1.319 121.884 120.570 -0.009 0.000 2.151 115 I HA -0.249 3.921 4.170 0.000 0.000 0.243 115 I C 2.469 178.662 176.117 0.127 0.000 1.080 115 I CA 1.949 63.213 61.300 -0.060 0.000 1.339 115 I CB -0.593 37.143 38.000 -0.440 0.000 1.039 115 I HN 0.692 nan 8.210 nan 0.000 0.409 116 E N 0.776 121.013 120.200 0.062 0.000 2.047 116 E HA -0.197 4.153 4.350 0.000 0.000 0.191 116 E C 1.840 178.503 176.600 0.106 0.000 0.987 116 E CA 1.236 57.694 56.400 0.097 0.000 0.799 116 E CB -0.391 29.340 29.700 0.051 0.000 0.752 116 E HN 0.414 nan 8.360 nan 0.000 0.449 117 D N 0.216 120.669 120.400 0.088 0.000 2.144 117 D HA -0.135 4.505 4.640 0.000 0.000 0.199 117 D C 1.959 178.313 176.300 0.091 0.000 0.984 117 D CA 0.708 54.756 54.000 0.079 0.000 0.834 117 D CB -0.149 40.693 40.800 0.071 0.000 0.955 117 D HN 0.077 nan 8.370 nan 0.000 0.465 118 L N 1.132 122.435 121.223 0.134 0.000 2.056 118 L HA -0.043 4.297 4.340 0.000 0.000 0.207 118 L C 2.197 179.123 176.870 0.094 0.000 1.078 118 L CA 1.700 56.620 54.840 0.133 0.000 0.749 118 L CB -0.749 41.452 42.059 0.236 0.000 0.901 118 L HN -0.058 nan 8.230 nan 0.000 0.433 119 A N -0.480 122.418 122.820 0.131 0.000 1.972 119 A HA -0.248 4.072 4.320 0.000 0.000 0.219 119 A C 2.538 180.139 177.584 0.029 0.000 1.169 119 A CA 1.796 53.857 52.037 0.040 0.000 0.635 119 A CB -0.664 18.410 19.000 0.123 0.000 0.810 119 A HN 0.531 nan 8.150 nan 0.000 0.446 120 R N -0.715 119.815 120.500 0.050 0.000 2.193 120 R HA -0.000 4.340 4.340 0.000 0.000 0.213 120 R C 1.462 177.774 176.300 0.020 0.000 1.055 120 R CA 1.235 57.355 56.100 0.034 0.000 0.995 120 R CB -0.085 30.239 30.300 0.041 0.000 0.893 120 R HN 0.636 nan 8.270 nan 0.000 0.459 121 Q N -1.216 118.595 119.800 0.019 0.000 2.247 121 Q HA 0.143 4.483 4.340 0.000 0.000 0.211 121 Q C -0.620 175.372 176.000 -0.013 0.000 0.861 121 Q CA -0.248 55.558 55.803 0.006 0.000 0.949 121 Q CB 1.418 30.164 28.738 0.012 0.000 1.115 121 Q HN 0.168 nan 8.270 nan 0.000 0.507 122 C N 1.426 120.714 119.300 -0.021 0.000 2.642 122 C HA 0.244 4.704 4.460 0.000 0.000 0.344 122 C C -0.594 174.371 174.990 -0.042 0.000 1.110 122 C CA -0.640 58.354 59.018 -0.041 0.000 1.298 122 C CB 0.991 28.694 27.740 -0.062 0.000 1.827 122 C HN 0.561 nan 8.230 nan 0.000 0.467 123 D N 2.854 123.232 120.400 -0.037 0.000 2.388 123 D HA 0.295 4.935 4.640 0.000 0.000 0.221 123 D C 0.928 177.208 176.300 -0.032 0.000 1.133 123 D CA 0.012 53.991 54.000 -0.034 0.000 0.831 123 D CB 0.247 41.032 40.800 -0.024 0.000 0.962 123 D HN 0.719 nan 8.370 nan 0.000 0.502 124 G N -0.278 108.501 108.800 -0.035 0.000 2.535 124 G HA2 0.194 4.154 3.960 0.000 0.000 0.282 124 G HA3 0.194 4.154 3.960 0.000 0.000 0.282 124 G C -0.517 174.382 174.900 -0.003 0.000 1.350 124 G CA -0.654 44.434 45.100 -0.020 0.000 1.039 124 G HN 0.131 nan 8.290 nan 0.000 0.509 125 D N 0.018 120.435 120.400 0.028 0.000 2.374 125 D HA 0.222 4.862 4.640 0.000 0.000 0.240 125 D C 0.072 176.457 176.300 0.142 0.000 1.229 125 D CA -0.083 53.974 54.000 0.095 0.000 0.895 125 D CB -0.027 40.852 40.800 0.132 0.000 1.046 125 D HN 0.108 nan 8.370 nan 0.000 0.498 126 L N 3.600 124.893 121.223 0.116 0.000 2.289 126 L HA 0.444 4.784 4.340 0.000 0.000 0.285 126 L C -0.311 176.836 176.870 0.462 0.000 1.049 126 L CA -0.999 53.918 54.840 0.129 0.000 0.804 126 L CB 1.001 42.842 42.059 -0.364 0.000 1.195 126 L HN 0.252 nan 8.230 nan 0.000 0.428 127 W N 2.672 124.082 121.300 0.184 0.000 2.639 127 W HA 0.470 5.130 4.660 0.000 0.000 0.347 127 W C -0.526 176.185 176.519 0.320 0.000 1.067 127 W CA -0.992 56.480 57.345 0.211 0.000 1.218 127 W CB 1.256 30.717 29.460 0.002 0.000 1.393 127 W HN 0.092 nan 8.180 nan 0.000 0.557 128 F N 3.337 123.394 119.950 0.178 0.000 2.493 128 F HA 0.332 4.859 4.527 0.000 0.000 0.329 128 F C -0.149 175.514 175.800 -0.229 0.000 1.126 128 F CA -1.037 56.888 58.000 -0.125 0.000 0.937 128 F CB 1.330 40.075 39.000 -0.426 0.000 1.146 128 F HN 0.168 nan 8.300 nan 0.000 0.442 129 Q N 6.981 126.165 119.800 -1.027 0.000 2.303 129 Q HA 0.352 4.692 4.340 0.000 0.000 0.257 129 Q C -1.964 173.211 176.000 -1.375 0.000 0.941 129 Q CA -0.744 54.492 55.803 -0.944 0.000 0.931 129 Q CB 1.684 30.030 28.738 -0.653 0.000 1.215 129 Q HN 0.863 nan 8.270 nan 0.000 0.437 130 L N 5.265 125.914 121.223 -0.956 0.000 2.309 130 L HA 0.463 4.803 4.340 0.000 0.000 0.282 130 L C -1.792 174.824 176.870 -0.424 0.000 1.036 130 L CA -0.363 54.085 54.840 -0.652 0.000 0.806 130 L CB 1.002 42.842 42.059 -0.365 0.000 1.220 130 L HN 0.491 nan 8.230 nan 0.000 0.429 131 Y N 3.689 123.877 120.300 -0.187 0.000 2.376 131 Y HA 0.561 5.111 4.550 0.000 0.000 0.340 131 Y C -0.427 175.444 175.900 -0.049 0.000 0.965 131 Y CA -1.018 57.017 58.100 -0.107 0.000 1.078 131 Y CB 2.190 40.649 38.460 -0.001 0.000 1.193 131 Y HN 0.272 nan 8.280 nan 0.000 0.452 132 V N 6.285 126.237 119.914 0.064 0.000 2.328 132 V HA 0.180 4.300 4.120 0.000 0.000 0.278 132 V C 0.182 176.347 176.094 0.118 0.000 1.021 132 V CA -0.144 62.195 62.300 0.066 0.000 0.838 132 V CB 0.711 32.485 31.823 -0.082 0.000 0.999 132 V HN 0.715 nan 8.190 nan 0.000 0.447 133 I N 2.705 123.391 120.570 0.193 0.000 3.039 133 I HA 0.222 4.392 4.170 0.000 0.000 0.270 133 I C 0.645 176.892 176.117 0.217 0.000 1.150 133 I CA 0.650 62.050 61.300 0.165 0.000 1.448 133 I CB -0.012 38.089 38.000 0.168 0.000 1.197 133 I HN 0.684 nan 8.210 nan 0.000 0.450 134 H N 0.211 119.365 119.070 0.141 0.000 2.782 134 H HA 0.441 4.997 4.556 0.000 0.000 0.347 134 H C 0.756 176.160 175.328 0.127 0.000 1.038 134 H CA -0.737 55.376 56.048 0.109 0.000 1.255 134 H CB 1.403 31.229 29.762 0.106 0.000 1.623 134 H HN -0.226 nan 8.280 nan 0.000 0.525 135 R N 2.647 122.937 120.500 -0.350 0.000 2.096 135 R HA -0.184 4.156 4.340 0.000 0.000 0.240 135 R C 1.722 177.962 176.300 -0.101 0.000 1.139 135 R CA 1.817 57.759 56.100 -0.263 0.000 0.952 135 R CB -0.545 29.436 30.300 -0.531 0.000 0.854 135 R HN 0.832 nan 8.270 nan 0.000 0.436 136 E N 0.568 120.601 120.200 -0.278 0.000 2.058 136 E HA -0.149 4.201 4.350 0.000 0.000 0.194 136 E C 2.081 178.810 176.600 0.215 0.000 0.997 136 E CA 1.136 57.575 56.400 0.064 0.000 0.801 136 E CB -0.066 29.737 29.700 0.171 0.000 0.746 136 E HN 0.305 nan 8.360 nan 0.000 0.450 137 I N 0.880 121.640 120.570 0.318 0.000 2.315 137 I HA -0.233 3.937 4.170 0.000 0.000 0.248 137 I C 2.613 178.844 176.117 0.190 0.000 1.117 137 I CA 0.882 62.340 61.300 0.262 0.000 1.404 137 I CB -0.388 37.814 38.000 0.337 0.000 1.071 137 I HN 0.193 nan 8.210 nan 0.000 0.419 138 A N 0.280 123.239 122.820 0.231 0.000 1.902 138 A HA -0.298 4.022 4.320 0.000 0.000 0.217 138 A C 2.328 180.043 177.584 0.217 0.000 1.181 138 A CA 1.929 54.104 52.037 0.231 0.000 0.623 138 A CB -0.749 18.438 19.000 0.312 0.000 0.818 138 A HN 0.508 nan 8.150 nan 0.000 0.443 139 Q N -0.628 119.355 119.800 0.304 0.000 2.096 139 Q HA -0.125 4.215 4.340 0.000 0.000 0.204 139 Q C 2.032 178.099 176.000 0.112 0.000 0.982 139 Q CA 1.725 57.670 55.803 0.237 0.000 0.850 139 Q CB -0.551 28.399 28.738 0.353 0.000 0.901 139 Q HN 0.586 nan 8.270 nan 0.000 0.422 140 G N 0.677 109.540 108.800 0.106 0.000 2.418 140 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 140 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 140 G C 1.376 176.257 174.900 -0.032 0.000 1.158 140 G CA 0.976 46.105 45.100 0.049 0.000 0.771 140 G HN 0.305 nan 8.290 nan 0.000 0.545 141 M N -0.037 119.526 119.600 -0.062 0.000 2.132 141 M HA -0.033 4.447 4.480 0.000 0.000 0.263 141 M C 2.705 178.835 176.300 -0.283 0.000 1.065 141 M CA 0.822 55.993 55.300 -0.214 0.000 1.122 141 M CB -0.323 32.187 32.600 -0.150 0.000 1.365 141 M HN 0.107 nan 8.290 nan 0.000 0.411 142 V N 0.716 120.570 119.914 -0.099 0.000 2.295 142 V HA -0.257 3.863 4.120 0.000 0.000 0.246 142 V C 2.418 178.487 176.094 -0.042 0.000 1.049 142 V CA 1.353 63.616 62.300 -0.062 0.000 1.024 142 V CB -0.648 31.171 31.823 -0.007 0.000 0.648 142 V HN 0.417 nan 8.190 nan 0.000 0.447 143 L N 0.005 121.180 121.223 -0.081 0.000 2.083 143 L HA -0.144 4.196 4.340 0.000 0.000 0.209 143 L C 2.454 179.156 176.870 -0.281 0.000 1.083 143 L CA 1.929 56.644 54.840 -0.209 0.000 0.752 143 L CB -1.248 40.762 42.059 -0.082 0.000 0.899 143 L HN 0.390 nan 8.230 nan 0.000 0.433 144 K N 0.691 121.004 120.400 -0.145 0.000 2.057 144 K HA -0.082 4.238 4.320 0.000 0.000 0.207 144 K C 2.065 178.579 176.600 -0.143 0.000 1.049 144 K CA 1.587 57.813 56.287 -0.101 0.000 0.931 144 K CB -0.261 32.144 32.500 -0.157 0.000 0.714 144 K HN 0.167 nan 8.250 nan 0.000 0.440 145 A N 0.554 123.191 122.820 -0.305 0.000 1.933 145 A HA -0.091 4.229 4.320 0.000 0.000 0.218 145 A C 2.106 179.804 177.584 0.190 0.000 1.175 145 A CA 1.544 53.396 52.037 -0.308 0.000 0.628 145 A CB -0.699 17.920 19.000 -0.636 0.000 0.814 145 A HN 0.370 nan 8.150 nan 0.000 0.444 146 L N -0.663 120.664 121.223 0.174 0.000 2.017 146 L HA -0.159 4.181 4.340 0.000 0.000 0.208 146 L C 2.229 179.121 176.870 0.036 0.000 1.073 146 L CA 2.200 57.089 54.840 0.082 0.000 0.745 146 L CB -0.792 41.130 42.059 -0.227 0.000 0.894 146 L HN 0.515 nan 8.230 nan 0.000 0.432 147 H N -1.055 118.072 119.070 0.094 0.000 2.524 147 H HA 0.037 4.593 4.556 0.000 0.000 0.282 147 H C 1.692 177.074 175.328 0.090 0.000 1.016 147 H CA 1.427 57.514 56.048 0.065 0.000 1.270 147 H CB -0.726 29.056 29.762 0.034 0.000 1.394 147 H HN 0.532 nan 8.280 nan 0.000 0.568 148 T N -3.578 111.123 114.554 0.245 0.000 3.122 148 T HA 0.358 4.708 4.350 0.000 0.000 0.250 148 T C 1.561 176.386 174.700 0.209 0.000 1.067 148 T CA 0.374 62.611 62.100 0.228 0.000 0.966 148 T CB 0.209 69.236 68.868 0.265 0.000 1.002 148 T HN 0.447 nan 8.240 nan 0.000 0.542 149 G N 0.569 109.496 108.800 0.212 0.000 2.159 149 G HA2 -0.225 3.735 3.960 0.000 0.000 0.227 149 G HA3 -0.225 3.735 3.960 0.000 0.000 0.227 149 G C -0.223 174.746 174.900 0.116 0.000 0.986 149 G CA -0.524 44.647 45.100 0.118 0.000 0.651 149 G HN 0.567 nan 8.290 nan 0.000 0.523 150 Y N 1.562 121.971 120.300 0.181 0.000 2.526 150 Y HA 0.332 4.882 4.550 0.000 0.000 0.330 150 Y C 2.245 178.320 175.900 0.290 0.000 1.156 150 Y CA 0.974 59.223 58.100 0.249 0.000 1.419 150 Y CB 1.139 39.762 38.460 0.271 0.000 1.250 150 Y HN 0.250 nan 8.280 nan 0.000 0.540 151 T N -1.931 112.781 114.554 0.264 0.000 2.978 151 T HA 0.072 4.422 4.350 0.000 0.000 0.262 151 T C 0.497 175.283 174.700 0.144 0.000 1.063 151 T CA 0.771 62.931 62.100 0.100 0.000 1.140 151 T CB -0.063 68.818 68.868 0.022 0.000 0.886 151 T HN 0.512 nan 8.240 nan 0.000 0.470 152 T N 1.799 116.332 114.554 -0.034 0.000 2.893 152 T HA 0.661 5.011 4.350 0.000 0.000 0.293 152 T C -1.646 172.826 174.700 -0.381 0.000 1.027 152 T CA -0.738 61.147 62.100 -0.358 0.000 0.988 152 T CB 2.229 70.146 68.868 -1.584 0.000 1.043 152 T HN 0.219 nan 8.240 nan 0.000 0.461 153 L N 3.173 124.021 121.223 -0.624 0.000 2.322 153 L HA 0.790 5.130 4.340 0.000 0.000 0.281 153 L C -1.244 175.309 176.870 -0.528 0.000 1.014 153 L CA -0.556 53.764 54.840 -0.865 0.000 0.815 153 L CB 1.479 42.495 42.059 -1.739 0.000 1.247 153 L HN 0.498 nan 8.230 nan 0.000 0.421 154 V N 5.987 125.650 119.914 -0.419 0.000 2.444 154 V HA 0.403 4.523 4.120 0.000 0.000 0.294 154 V C -0.541 175.341 176.094 -0.353 0.000 1.022 154 V CA -0.622 61.498 62.300 -0.300 0.000 0.850 154 V CB 1.563 33.272 31.823 -0.189 0.000 0.992 154 V HN 0.654 nan 8.190 nan 0.000 0.426 155 L N 5.281 126.340 121.223 -0.273 0.000 2.257 155 L HA 0.584 4.925 4.340 0.000 0.000 0.290 155 L C 0.369 177.104 176.870 -0.225 0.000 1.044 155 L CA 0.740 55.414 54.840 -0.276 0.000 0.810 155 L CB 1.443 43.375 42.059 -0.212 0.000 1.193 155 L HN 0.684 nan 8.230 nan 0.000 0.425 156 T N 3.235 117.631 114.554 -0.263 0.000 2.743 156 T HA 0.285 4.635 4.350 0.000 0.000 0.293 156 T C 1.070 175.760 174.700 -0.017 0.000 0.945 156 T CA 0.282 62.298 62.100 -0.139 0.000 1.030 156 T CB 0.730 69.460 68.868 -0.229 0.000 0.912 156 T HN 0.782 nan 8.240 nan 0.000 0.483 157 T N -1.562 112.990 114.554 -0.003 0.000 3.054 157 T HA 0.069 4.419 4.350 0.000 0.000 0.255 157 T C 0.767 175.482 174.700 0.026 0.000 1.035 157 T CA -0.366 61.726 62.100 -0.012 0.000 0.941 157 T CB -0.019 68.814 68.868 -0.059 0.000 1.026 157 T HN 0.531 nan 8.240 nan 0.000 0.533 158 D N 1.109 121.559 120.400 0.083 0.000 2.491 158 D HA 0.175 4.815 4.640 0.000 0.000 0.228 158 D C 0.326 176.620 176.300 -0.010 0.000 1.183 158 D CA -0.483 53.551 54.000 0.057 0.000 0.827 158 D CB -0.030 40.830 40.800 0.100 0.000 0.989 158 D HN 0.353 nan 8.370 nan 0.000 0.494 159 V N 0.269 120.174 119.914 -0.015 0.000 2.711 159 V HA 0.424 4.544 4.120 0.000 0.000 0.335 159 V C 1.657 177.689 176.094 -0.103 0.000 1.235 159 V CA -0.111 62.119 62.300 -0.117 0.000 1.250 159 V CB 0.280 31.975 31.823 -0.215 0.000 1.469 159 V HN 0.256 nan 8.190 nan 0.000 0.646 160 A N 1.057 123.843 122.820 -0.056 0.000 1.978 160 A HA 0.078 4.399 4.320 0.000 0.000 0.220 160 A C 1.138 178.691 177.584 -0.050 0.000 1.170 160 A CA 2.220 54.233 52.037 -0.039 0.000 0.636 160 A CB -0.027 18.961 19.000 -0.019 0.000 0.810 160 A HN 1.128 nan 8.150 nan 0.000 0.448 161 V N -4.114 115.766 119.914 -0.058 0.000 3.078 161 V HA 0.445 4.565 4.120 0.000 0.000 0.311 161 V C -0.816 175.238 176.094 -0.066 0.000 1.138 161 V CA -1.471 60.798 62.300 -0.052 0.000 1.007 161 V CB 1.347 33.152 31.823 -0.029 0.000 1.045 161 V HN 0.322 nan 8.190 nan 0.000 0.432 162 N N 1.153 119.822 118.700 -0.051 0.000 2.518 162 N HA 0.478 5.218 4.740 0.000 0.000 0.266 162 N C 0.427 175.931 175.510 -0.010 0.000 1.196 162 N CA 0.114 53.135 53.050 -0.049 0.000 0.947 162 N CB 1.057 39.529 38.487 -0.025 0.000 1.098 162 N HN 1.154 nan 8.380 nan 0.000 0.450 163 G N 0.700 109.480 108.800 -0.033 0.000 2.544 163 G HA2 -0.028 3.932 3.960 0.000 0.000 0.242 163 G HA3 -0.028 3.932 3.960 0.000 0.000 0.242 163 G C -0.908 174.042 174.900 0.083 0.000 1.247 163 G CA -0.147 44.957 45.100 0.007 0.000 0.840 163 G HN 0.565 nan 8.290 nan 0.000 0.578 164 Y N 2.129 122.408 120.300 -0.035 0.000 2.714 164 Y HA 0.310 4.860 4.550 0.000 0.000 0.333 164 Y C 0.997 176.885 175.900 -0.019 0.000 1.220 164 Y CA -0.567 57.522 58.100 -0.019 0.000 1.513 164 Y CB -0.060 38.390 38.460 -0.018 0.000 1.435 164 Y HN 0.295 nan 8.280 nan 0.000 0.489 165 R N 4.105 124.523 120.500 -0.137 0.000 2.205 165 R HA 0.109 4.449 4.340 0.000 0.000 0.342 165 R C 0.746 176.921 176.300 -0.209 0.000 1.058 165 R CA -0.163 55.856 56.100 -0.135 0.000 0.904 165 R CB 0.681 30.922 30.300 -0.098 0.000 1.089 165 R HN 0.762 nan 8.270 nan 0.000 0.471 166 E N 1.906 121.990 120.200 -0.193 0.000 2.268 166 E HA -0.152 4.198 4.350 0.000 0.000 0.195 166 E C 1.346 177.924 176.600 -0.036 0.000 0.995 166 E CA 0.849 57.168 56.400 -0.136 0.000 0.836 166 E CB 0.215 29.878 29.700 -0.062 0.000 0.763 166 E HN 0.407 nan 8.360 nan 0.000 0.491 167 R N 0.924 121.364 120.500 -0.100 0.000 2.075 167 R HA -0.123 4.217 4.340 0.000 0.000 0.232 167 R C 1.662 177.974 176.300 0.020 0.000 1.126 167 R CA 1.363 57.415 56.100 -0.080 0.000 0.963 167 R CB -0.165 30.080 30.300 -0.090 0.000 0.858 167 R HN 0.141 nan 8.270 nan 0.000 0.435 168 D N 0.893 121.288 120.400 -0.008 0.000 2.144 168 D HA -0.127 4.513 4.640 0.000 0.000 0.199 168 D C 1.998 178.359 176.300 0.102 0.000 0.984 168 D CA 1.004 55.044 54.000 0.066 0.000 0.834 168 D CB -0.143 40.683 40.800 0.043 0.000 0.955 168 D HN 0.182 nan 8.370 nan 0.000 0.465 169 L N -0.124 121.121 121.223 0.035 0.000 2.056 169 L HA -0.169 4.171 4.340 0.000 0.000 0.207 169 L C 2.335 179.239 176.870 0.057 0.000 1.078 169 L CA 1.091 55.937 54.840 0.010 0.000 0.749 169 L CB -0.426 41.575 42.059 -0.097 0.000 0.901 169 L HN 0.080 nan 8.230 nan 0.000 0.433 170 H N -0.132 118.926 119.070 -0.021 0.000 2.387 170 H HA -0.072 4.484 4.556 0.000 0.000 0.299 170 H C 1.846 177.193 175.328 0.031 0.000 1.090 170 H CA 1.310 57.361 56.048 0.004 0.000 1.332 170 H CB -0.044 29.721 29.762 0.005 0.000 1.386 170 H HN 0.265 nan 8.280 nan 0.000 0.516 171 N N 0.578 119.388 118.700 0.183 0.000 2.398 171 N HA -0.014 4.726 4.740 0.000 0.000 0.188 171 N C -0.012 175.579 175.510 0.135 0.000 1.122 171 N CA 0.185 53.329 53.050 0.156 0.000 0.866 171 N CB 0.382 38.981 38.487 0.187 0.000 0.970 171 N HN 0.068 nan 8.380 nan 0.000 0.462 172 R N -0.070 120.496 120.500 0.111 0.000 3.416 172 R HA -0.192 4.148 4.340 0.000 0.000 0.263 172 R C -0.677 175.679 176.300 0.094 0.000 1.053 172 R CA -0.032 56.112 56.100 0.072 0.000 0.705 172 R CB -2.913 27.405 30.300 0.030 0.000 1.124 172 R HN 0.205 nan 8.270 nan 0.000 0.444 173 F N 1.200 121.155 119.950 0.008 0.000 2.604 173 F HA 0.011 4.538 4.527 0.000 0.000 0.393 173 F C 0.537 176.318 175.800 -0.032 0.000 1.043 173 F CA 0.655 58.654 58.000 -0.001 0.000 1.227 173 F CB 0.374 39.386 39.000 0.019 0.000 1.016 173 F HN 0.027 nan 8.300 nan 0.000 0.556 174 K N 7.734 127.642 120.400 -0.821 0.000 2.443 174 K HA 0.404 4.724 4.320 0.000 0.000 0.252 174 K C -0.662 175.373 176.600 -0.943 0.000 0.933 174 K CA -0.935 54.950 56.287 -0.669 0.000 0.792 174 K CB 2.013 34.319 32.500 -0.324 0.000 1.185 174 K HN 0.516 nan 8.250 nan 0.000 0.425 175 I N 4.200 124.337 120.570 -0.721 0.000 2.919 175 I HA -0.070 4.100 4.170 0.000 0.000 0.299 175 I C -1.912 173.954 176.117 -0.417 0.000 1.221 175 I CA -1.157 59.812 61.300 -0.551 0.000 1.424 175 I CB -0.239 37.578 38.000 -0.306 0.000 1.358 175 I HN 0.255 nan 8.210 nan 0.000 0.551 176 P HA -0.086 nan 4.420 nan 0.000 0.259 176 P C -1.658 175.467 177.300 -0.291 0.000 1.163 176 P CA -0.675 62.243 63.100 -0.303 0.000 0.760 176 P CB 0.010 31.435 31.700 -0.460 0.000 0.762 177 P HA -0.199 nan 4.420 nan 0.000 0.218 177 P C 1.005 178.307 177.300 0.004 0.000 1.148 177 P CA 1.569 64.647 63.100 -0.037 0.000 0.822 177 P CB -0.345 31.372 31.700 0.029 0.000 0.784 178 F N -1.361 118.568 119.950 -0.034 0.000 2.811 178 F HA 0.288 4.815 4.527 0.000 0.000 0.301 178 F C 0.704 176.499 175.800 -0.007 0.000 1.151 178 F CA -0.621 57.367 58.000 -0.019 0.000 1.412 178 F CB -1.026 37.962 39.000 -0.020 0.000 1.113 178 F HN -0.273 nan 8.300 nan 0.000 0.579 179 L N 0.476 121.371 121.223 -0.546 0.000 2.352 179 L HA 0.619 4.959 4.340 0.000 0.000 0.269 179 L C 0.030 176.794 176.870 -0.177 0.000 1.034 179 L CA -0.794 53.792 54.840 -0.424 0.000 0.806 179 L CB 1.906 43.637 42.059 -0.547 0.000 1.244 179 L HN 0.050 nan 8.230 nan 0.000 0.447 180 T N 1.361 115.864 114.554 -0.086 0.000 2.956 180 T HA 0.416 4.766 4.350 0.000 0.000 0.312 180 T C -0.704 174.022 174.700 0.044 0.000 1.151 180 T CA -0.551 61.540 62.100 -0.016 0.000 1.024 180 T CB 1.050 69.927 68.868 0.015 0.000 1.140 180 T HN 0.381 nan 8.240 nan 0.000 0.473 181 L N 4.823 126.098 121.223 0.087 0.000 2.384 181 L HA 0.280 4.621 4.340 0.000 0.000 0.258 181 L C 1.719 178.731 176.870 0.236 0.000 1.266 181 L CA -0.476 54.487 54.840 0.204 0.000 1.162 181 L CB 0.099 42.319 42.059 0.267 0.000 1.375 181 L HN 0.629 nan 8.230 nan 0.000 0.420 182 K N 1.335 121.825 120.400 0.150 0.000 2.127 182 K HA -0.211 4.109 4.320 0.000 0.000 0.208 182 K C 1.640 178.287 176.600 0.080 0.000 1.047 182 K CA 1.486 57.838 56.287 0.108 0.000 0.927 182 K CB 0.001 32.553 32.500 0.087 0.000 0.716 182 K HN 0.450 nan 8.250 nan 0.000 0.450 183 N N -0.607 118.120 118.700 0.044 0.000 2.520 183 N HA -0.109 4.631 4.740 0.000 0.000 0.185 183 N C 0.579 175.919 175.510 -0.284 0.000 1.068 183 N CA 0.856 53.819 53.050 -0.145 0.000 0.911 183 N CB -0.003 38.345 38.487 -0.231 0.000 0.961 183 N HN 0.205 nan 8.380 nan 0.000 0.446 184 F N 0.715 120.698 119.950 0.056 0.000 2.695 184 F HA 0.220 4.747 4.527 0.000 0.000 0.303 184 F C 1.064 176.884 175.800 0.033 0.000 1.091 184 F CA -0.514 57.514 58.000 0.048 0.000 1.300 184 F CB 0.205 39.232 39.000 0.046 0.000 1.071 184 F HN -0.132 nan 8.300 nan 0.000 0.578 185 E N 0.402 120.694 120.200 0.152 0.000 2.360 185 E HA 0.312 4.662 4.350 0.000 0.000 0.269 185 E C 1.220 177.863 176.600 0.071 0.000 1.022 185 E CA 0.660 57.120 56.400 0.101 0.000 0.887 185 E CB 0.518 30.263 29.700 0.074 0.000 0.990 185 E HN 0.440 nan 8.360 nan 0.000 0.426 186 G N 4.446 113.285 108.800 0.064 0.000 2.153 186 G HA2 -0.262 3.698 3.960 0.000 0.000 0.252 186 G HA3 -0.262 3.698 3.960 0.000 0.000 0.252 186 G C 0.508 175.440 174.900 0.053 0.000 0.994 186 G CA 0.327 45.457 45.100 0.049 0.000 0.698 186 G HN 0.662 nan 8.290 nan 0.000 0.521 187 I N 2.304 122.918 120.570 0.073 0.000 3.600 187 I HA 0.082 4.252 4.170 0.000 0.000 0.300 187 I C 1.063 177.213 176.117 0.056 0.000 1.284 187 I CA 0.287 61.634 61.300 0.078 0.000 1.259 187 I CB -1.199 36.875 38.000 0.124 0.000 1.081 187 I HN 0.555 nan 8.210 nan 0.000 0.465 188 D N 0.384 120.810 120.400 0.043 0.000 8.697 188 D HA -0.257 4.383 4.640 0.000 0.000 0.339 188 D C -0.670 175.643 176.300 0.022 0.000 2.794 188 D CA 0.348 54.366 54.000 0.031 0.000 1.910 188 D CB 0.174 40.991 40.800 0.030 0.000 1.141 188 D HN 0.175 nan 8.370 nan 0.000 1.173 189 L N -1.535 119.697 121.223 0.015 0.000 3.042 189 L HA 0.545 4.885 4.340 0.000 0.000 0.282 189 L C 1.469 178.342 176.870 0.006 0.000 1.032 189 L CA 1.438 56.282 54.840 0.007 0.000 1.001 189 L CB 0.692 42.755 42.059 0.005 0.000 1.587 189 L HN 1.318 nan 8.230 nan 0.000 0.368 190 G N 0.261 109.062 108.800 0.002 0.000 2.507 190 G HA2 -0.253 3.707 3.960 0.000 0.000 0.240 190 G HA3 -0.253 3.707 3.960 0.000 0.000 0.240 190 G C 0.107 175.009 174.900 0.003 0.000 1.119 190 G CA 0.528 45.629 45.100 0.003 0.000 0.664 190 G HN 0.629 nan 8.290 nan 0.000 0.516 191 K N 1.873 122.276 120.400 0.005 0.000 2.491 191 K HA 0.218 4.538 4.320 0.000 0.000 0.279 191 K C 0.751 177.353 176.600 0.002 0.000 1.026 191 K CA 0.813 57.104 56.287 0.006 0.000 1.070 191 K CB 0.123 32.629 32.500 0.010 0.000 0.887 191 K HN 0.560 nan 8.250 nan 0.000 0.481 192 M N 3.388 122.990 119.600 0.003 0.000 2.134 192 M HA 0.348 4.829 4.480 0.000 0.000 0.310 192 M C -0.526 175.776 176.300 0.004 0.000 0.966 192 M CA -0.665 54.636 55.300 0.001 0.000 0.922 192 M CB 1.404 34.005 32.600 0.001 0.000 1.537 192 M HN 0.662 nan 8.290 nan 0.000 0.424 193 D N 1.198 121.599 120.400 0.003 0.000 3.215 193 D HA 0.082 4.722 4.640 0.000 0.000 0.298 193 D C 0.171 176.475 176.300 0.007 0.000 1.080 193 D CA -0.067 53.936 54.000 0.006 0.000 0.714 193 D CB 0.521 41.327 40.800 0.010 0.000 1.393 193 D HN 0.420 nan 8.370 nan 0.000 0.480 194 K N 0.656 121.062 120.400 0.010 0.000 1.975 194 K HA 0.034 4.355 4.320 0.000 0.000 0.233 194 K C 1.422 178.034 176.600 0.019 0.000 0.991 194 K CA 2.809 59.105 56.287 0.015 0.000 1.022 194 K CB -1.711 30.802 32.500 0.020 0.000 0.723 194 K HN 1.354 nan 8.250 nan 0.000 0.473 195 A N 0.291 123.133 122.820 0.036 0.000 2.386 195 A HA 0.447 4.767 4.320 0.000 0.000 0.248 195 A C 0.765 178.355 177.584 0.010 0.000 1.082 195 A CA 0.488 52.553 52.037 0.047 0.000 0.789 195 A CB 0.165 19.226 19.000 0.102 0.000 1.025 195 A HN 0.854 nan 8.150 nan 0.000 0.490 196 N N -1.217 117.465 118.700 -0.030 0.000 2.869 196 N HA -0.157 4.583 4.740 0.000 0.000 0.249 196 N C -0.194 175.295 175.510 -0.035 0.000 1.104 196 N CA 1.217 54.249 53.050 -0.030 0.000 0.760 196 N CB -1.036 37.451 38.487 0.001 0.000 1.108 196 N HN 0.644 nan 8.380 nan 0.000 0.555 197 L N -0.749 120.443 121.223 -0.053 0.000 1.589 197 L HA 0.153 4.493 4.340 0.000 0.000 0.161 197 L C 1.624 178.460 176.870 -0.056 0.000 1.300 197 L CA 0.664 55.480 54.840 -0.041 0.000 1.196 197 L CB -0.390 41.658 42.059 -0.019 0.000 2.497 197 L HN 0.036 nan 8.230 nan 0.000 0.492 198 E N -0.334 119.834 120.200 -0.052 0.000 2.274 198 E HA -0.122 4.228 4.350 0.000 0.000 0.194 198 E C 1.894 178.411 176.600 -0.139 0.000 0.996 198 E CA 1.411 57.787 56.400 -0.041 0.000 0.840 198 E CB 0.144 29.861 29.700 0.027 0.000 0.772 198 E HN 0.436 nan 8.360 nan 0.000 0.491 199 M N 0.073 119.497 119.600 -0.294 0.000 2.191 199 M HA -0.156 4.324 4.480 0.000 0.000 0.262 199 M C 1.858 178.003 176.300 -0.258 0.000 1.083 199 M CA 1.391 56.337 55.300 -0.590 0.000 1.154 199 M CB 0.203 32.407 32.600 -0.661 0.000 1.344 199 M HN -0.044 nan 8.290 nan 0.000 0.431 200 Q N 0.365 120.074 119.800 -0.152 0.000 2.135 200 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 200 Q C 2.076 178.029 176.000 -0.078 0.000 0.981 200 Q CA 1.862 57.613 55.803 -0.087 0.000 0.856 200 Q CB -0.393 28.311 28.738 -0.057 0.000 0.902 200 Q HN 0.708 nan 8.270 nan 0.000 0.425 201 A N 0.996 123.771 122.820 -0.075 0.000 1.930 201 A HA -0.051 4.269 4.320 0.000 0.000 0.217 201 A C 2.295 179.844 177.584 -0.058 0.000 1.175 201 A CA 1.398 53.402 52.037 -0.056 0.000 0.627 201 A CB -0.678 18.297 19.000 -0.041 0.000 0.815 201 A HN 0.389 nan 8.150 nan 0.000 0.443 202 A N -0.157 122.623 122.820 -0.067 0.000 1.933 202 A HA 0.001 4.321 4.320 0.000 0.000 0.218 202 A C 2.074 179.618 177.584 -0.066 0.000 1.175 202 A CA 1.406 53.419 52.037 -0.041 0.000 0.628 202 A CB -0.522 18.477 19.000 -0.002 0.000 0.814 202 A HN 0.474 nan 8.150 nan 0.000 0.444 203 L N -1.336 119.833 121.223 -0.089 0.000 2.240 203 L HA 0.007 4.347 4.340 0.000 0.000 0.211 203 L C 1.967 178.751 176.870 -0.143 0.000 1.106 203 L CA 0.645 55.404 54.840 -0.136 0.000 0.793 203 L CB -0.420 41.581 42.059 -0.096 0.000 0.927 203 L HN 0.386 nan 8.230 nan 0.000 0.446 204 M N -0.925 118.616 119.600 -0.098 0.000 2.581 204 M HA 0.055 4.535 4.480 0.000 0.000 0.224 204 M C 0.377 176.629 176.300 -0.080 0.000 1.171 204 M CA 0.178 55.428 55.300 -0.085 0.000 0.993 204 M CB 0.145 32.708 32.600 -0.062 0.000 1.685 204 M HN 0.024 nan 8.290 nan 0.000 0.479 205 S N 0.243 115.888 115.700 -0.092 0.000 2.557 205 S HA 0.419 4.889 4.470 0.000 0.000 0.291 205 S C 0.204 174.743 174.600 -0.101 0.000 1.116 205 S CA -0.820 57.333 58.200 -0.078 0.000 0.992 205 S CB 1.148 64.314 63.200 -0.056 0.000 1.028 205 S HN 0.415 nan 8.310 nan 0.000 0.484 206 R N 2.756 123.202 120.500 -0.090 0.000 3.298 206 R HA 0.184 4.524 4.340 0.000 0.000 0.249 206 R C -0.229 176.014 176.300 -0.095 0.000 1.563 206 R CA 0.174 56.213 56.100 -0.102 0.000 1.378 206 R CB -0.079 30.175 30.300 -0.077 0.000 1.250 206 R HN 0.548 nan 8.270 nan 0.000 0.580 207 Q N 0.346 120.093 119.800 -0.087 0.000 2.337 207 Q HA 0.326 4.666 4.340 0.000 0.000 0.270 207 Q C -0.634 175.324 176.000 -0.069 0.000 1.043 207 Q CA -0.591 55.166 55.803 -0.076 0.000 0.794 207 Q CB 2.687 31.396 28.738 -0.048 0.000 1.281 207 Q HN 0.098 nan 8.270 nan 0.000 0.446 208 M N 1.059 120.607 119.600 -0.086 0.000 2.103 208 M HA 0.048 4.528 4.480 0.000 0.000 0.291 208 M C -0.010 176.289 176.300 -0.002 0.000 1.216 208 M CA 0.097 55.363 55.300 -0.057 0.000 1.132 208 M CB 0.503 33.038 32.600 -0.109 0.000 1.396 208 M HN 0.532 nan 8.290 nan 0.000 0.479 209 D N 0.771 121.196 120.400 0.042 0.000 2.383 209 D HA 0.219 4.859 4.640 0.000 0.000 0.245 209 D C 0.384 176.732 176.300 0.080 0.000 1.263 209 D CA 0.079 54.126 54.000 0.078 0.000 0.936 209 D CB 0.584 41.469 40.800 0.142 0.000 1.053 209 D HN 0.568 nan 8.370 nan 0.000 0.507 210 A N 2.969 125.815 122.820 0.042 0.000 2.216 210 A HA -0.075 4.246 4.320 0.000 0.000 0.214 210 A C 1.959 179.568 177.584 0.041 0.000 1.160 210 A CA 1.128 53.183 52.037 0.031 0.000 0.725 210 A CB -0.326 18.679 19.000 0.008 0.000 0.784 210 A HN 0.546 nan 8.150 nan 0.000 0.472 211 S N -1.732 113.999 115.700 0.051 0.000 2.524 211 S HA 0.164 4.634 4.470 0.000 0.000 0.216 211 S C 0.354 174.966 174.600 0.021 0.000 0.987 211 S CA -0.488 57.724 58.200 0.020 0.000 0.909 211 S CB -0.593 62.602 63.200 -0.008 0.000 0.781 211 S HN 0.291 nan 8.310 nan 0.000 0.521 212 F N 5.154 125.072 119.950 -0.052 0.000 2.546 212 F HA 0.231 4.758 4.527 0.000 0.000 0.388 212 F C 0.531 176.266 175.800 -0.108 0.000 1.051 212 F CA -0.157 57.810 58.000 -0.056 0.000 1.130 212 F CB -0.063 38.921 39.000 -0.028 0.000 1.044 212 F HN 0.443 nan 8.300 nan 0.000 0.553 213 N N 3.155 121.705 118.700 -0.250 0.000 3.100 213 N HA 0.256 4.996 4.740 0.000 0.000 0.344 213 N C 0.392 175.750 175.510 -0.255 0.000 1.413 213 N CA -0.778 52.129 53.050 -0.239 0.000 0.752 213 N CB -0.101 38.314 38.487 -0.120 0.000 1.519 213 N HN 0.493 nan 8.380 nan 0.000 0.620 214 W N -0.195 121.105 121.300 0.001 0.000 2.342 214 W HA -0.038 4.622 4.660 0.000 0.000 0.297 214 W C 2.164 178.670 176.519 -0.021 0.000 1.213 214 W CA 1.328 58.683 57.345 0.015 0.000 1.251 214 W CB -0.060 29.413 29.460 0.022 0.000 1.136 214 W HN 0.715 nan 8.180 nan 0.000 0.526 215 E N 0.640 120.924 120.200 0.140 0.000 2.077 215 E HA -0.232 4.118 4.350 0.000 0.000 0.193 215 E C 2.271 178.854 176.600 -0.029 0.000 0.989 215 E CA 1.532 57.963 56.400 0.053 0.000 0.800 215 E CB -0.282 29.419 29.700 0.002 0.000 0.746 215 E HN 0.183 nan 8.360 nan 0.000 0.452 216 A N 0.963 123.630 122.820 -0.255 0.000 1.969 216 A HA -0.131 4.189 4.320 0.000 0.000 0.218 216 A C 2.104 179.581 177.584 -0.179 0.000 1.169 216 A CA 1.086 52.805 52.037 -0.530 0.000 0.635 216 A CB -0.526 17.504 19.000 -1.618 0.000 0.810 216 A HN 0.394 nan 8.150 nan 0.000 0.445 217 L N -0.013 121.206 121.223 -0.008 0.000 2.093 217 L HA -0.098 4.242 4.340 0.000 0.000 0.208 217 L C 2.340 179.345 176.870 0.224 0.000 1.085 217 L CA 1.785 56.790 54.840 0.276 0.000 0.755 217 L CB -0.552 41.680 42.059 0.287 0.000 0.904 217 L HN 0.352 nan 8.230 nan 0.000 0.435 218 R N -1.637 118.976 120.500 0.189 0.000 2.096 218 R HA -0.230 4.110 4.340 0.000 0.000 0.235 218 R C 2.063 178.462 176.300 0.166 0.000 1.127 218 R CA 1.882 58.077 56.100 0.158 0.000 0.968 218 R CB -0.836 29.545 30.300 0.136 0.000 0.861 218 R HN 0.609 nan 8.270 nan 0.000 0.440 219 W N 1.427 122.738 121.300 0.019 0.000 2.355 219 W HA -0.189 4.471 4.660 0.000 0.000 0.309 219 W C 1.744 178.311 176.519 0.080 0.000 1.206 219 W CA 1.005 58.365 57.345 0.025 0.000 1.284 219 W CB -0.474 28.974 29.460 -0.020 0.000 1.145 219 W HN 0.024 nan 8.180 nan 0.000 0.502 220 L N 1.815 122.981 121.223 -0.095 0.000 2.083 220 L HA -0.099 4.241 4.340 0.000 0.000 0.209 220 L C 2.631 179.402 176.870 -0.165 0.000 1.083 220 L CA 2.450 57.093 54.840 -0.328 0.000 0.752 220 L CB -1.179 40.921 42.059 0.067 0.000 0.899 220 L HN 0.049 nan 8.230 nan 0.000 0.433 221 R N 0.018 120.506 120.500 -0.020 0.000 2.096 221 R HA -0.156 4.184 4.340 0.000 0.000 0.235 221 R C 1.763 178.050 176.300 -0.022 0.000 1.127 221 R CA 1.957 58.071 56.100 0.024 0.000 0.968 221 R CB -0.723 29.614 30.300 0.061 0.000 0.861 221 R HN 0.442 nan 8.270 nan 0.000 0.440 222 D N -0.312 120.044 120.400 -0.072 0.000 2.234 222 D HA -0.096 4.544 4.640 0.000 0.000 0.205 222 D C 1.660 177.876 176.300 -0.140 0.000 0.962 222 D CA 0.696 54.646 54.000 -0.083 0.000 0.855 222 D CB -0.021 40.751 40.800 -0.046 0.000 0.951 222 D HN 0.207 nan 8.370 nan 0.000 0.500 223 L N -0.365 120.713 121.223 -0.241 0.000 2.131 223 L HA 0.060 4.400 4.340 0.000 0.000 0.206 223 L C 0.448 177.258 176.870 -0.100 0.000 1.087 223 L CA 0.865 55.560 54.840 -0.242 0.000 0.767 223 L CB 0.014 41.782 42.059 -0.484 0.000 0.917 223 L HN 0.050 nan 8.230 nan 0.000 0.441 224 W N 2.385 123.529 121.300 -0.261 0.000 2.335 224 W HA 0.286 4.946 4.660 0.000 0.000 0.307 224 W C -1.779 174.604 176.519 -0.226 0.000 1.117 224 W CA -1.736 55.473 57.345 -0.227 0.000 1.228 224 W CB 1.284 30.636 29.460 -0.180 0.000 1.240 224 W HN 0.099 nan 8.180 nan 0.000 0.468 225 P HA -0.058 nan 4.420 nan 0.000 0.235 225 P C 0.380 177.216 177.300 -0.772 0.000 1.177 225 P CA 1.129 63.779 63.100 -0.749 0.000 0.785 225 P CB 0.757 31.981 31.700 -0.793 0.000 0.885 226 H N 0.037 118.551 119.070 -0.927 0.000 3.039 226 H HA 0.325 4.881 4.556 0.000 0.000 0.234 226 H C 0.814 176.178 175.328 0.061 0.000 1.570 226 H CA -0.488 55.320 56.048 -0.401 0.000 1.674 226 H CB -0.045 29.485 29.762 -0.387 0.000 1.538 226 H HN -0.208 nan 8.280 nan 0.000 0.963 227 K N 1.274 121.856 120.400 0.304 0.000 2.451 227 K HA 0.099 4.419 4.320 0.000 0.000 0.280 227 K C -0.320 176.404 176.600 0.206 0.000 1.020 227 K CA -0.162 56.220 56.287 0.158 0.000 1.008 227 K CB 0.078 32.550 32.500 -0.048 0.000 0.917 227 K HN 0.246 nan 8.250 nan 0.000 0.478 228 L N 4.834 126.108 121.223 0.084 0.000 2.381 228 L HA 0.441 4.781 4.340 0.000 0.000 0.274 228 L C -1.335 175.495 176.870 -0.066 0.000 0.988 228 L CA -0.385 54.439 54.840 -0.027 0.000 0.824 228 L CB 1.173 43.271 42.059 0.065 0.000 1.263 228 L HN 0.488 nan 8.230 nan 0.000 0.410 229 L N 5.286 126.432 121.223 -0.128 0.000 2.354 229 L HA 0.709 5.049 4.340 0.000 0.000 0.269 229 L C -0.887 175.945 176.870 -0.064 0.000 1.005 229 L CA -1.182 53.616 54.840 -0.069 0.000 0.819 229 L CB 2.251 44.275 42.059 -0.058 0.000 1.311 229 L HN 0.274 nan 8.230 nan 0.000 0.423 230 V N 2.105 122.012 119.914 -0.012 0.000 2.417 230 V HA 0.370 4.490 4.120 0.000 0.000 0.291 230 V C -0.104 175.986 176.094 -0.007 0.000 1.024 230 V CA -0.661 61.633 62.300 -0.011 0.000 0.861 230 V CB 1.638 33.488 31.823 0.045 0.000 0.985 230 V HN 0.649 nan 8.190 nan 0.000 0.436 231 K N 2.901 123.279 120.400 -0.038 0.000 2.156 231 K HA 0.677 4.997 4.320 0.000 0.000 0.254 231 K C 0.737 177.339 176.600 0.004 0.000 0.950 231 K CA 0.323 56.595 56.287 -0.025 0.000 0.849 231 K CB 1.548 34.004 32.500 -0.074 0.000 1.100 231 K HN 0.940 nan 8.250 nan 0.000 0.434 232 G N 2.599 111.418 108.800 0.032 0.000 2.148 232 G HA2 -0.171 3.789 3.960 0.000 0.000 0.203 232 G HA3 -0.171 3.789 3.960 0.000 0.000 0.203 232 G C -0.233 174.707 174.900 0.067 0.000 0.993 232 G CA -0.199 44.941 45.100 0.066 0.000 0.661 232 G HN 0.431 nan 8.290 nan 0.000 0.518 233 L N 0.118 121.381 121.223 0.067 0.000 2.395 233 L HA 0.612 4.952 4.340 0.000 0.000 0.269 233 L C 1.256 178.177 176.870 0.084 0.000 1.133 233 L CA -0.375 54.514 54.840 0.083 0.000 0.812 233 L CB 1.127 43.245 42.059 0.098 0.000 1.125 233 L HN 0.072 nan 8.230 nan 0.000 0.452 234 L N 2.521 123.797 121.223 0.088 0.000 3.393 234 L HA 0.222 4.562 4.340 0.000 0.000 0.319 234 L C -0.317 176.602 176.870 0.082 0.000 1.309 234 L CA 0.016 54.906 54.840 0.083 0.000 0.962 234 L CB 0.617 42.723 42.059 0.078 0.000 1.391 234 L HN 0.743 nan 8.230 nan 0.000 0.607 235 S N -2.353 113.400 115.700 0.088 0.000 2.543 235 S HA 0.583 5.053 4.470 0.000 0.000 0.274 235 S C 0.422 175.072 174.600 0.082 0.000 1.149 235 S CA -0.095 58.155 58.200 0.082 0.000 0.866 235 S CB 1.904 65.154 63.200 0.085 0.000 1.111 235 S HN 0.045 nan 8.310 nan 0.000 0.457 236 A N 1.466 124.327 122.820 0.068 0.000 1.969 236 A HA 0.043 4.363 4.320 0.000 0.000 0.218 236 A C 1.729 179.347 177.584 0.056 0.000 1.169 236 A CA 1.767 53.840 52.037 0.060 0.000 0.635 236 A CB -0.956 18.074 19.000 0.050 0.000 0.810 236 A HN 0.860 nan 8.150 nan 0.000 0.445 237 E N 0.541 120.774 120.200 0.055 0.000 2.051 237 E HA -0.138 4.212 4.350 0.000 0.000 0.192 237 E C 1.521 178.156 176.600 0.059 0.000 0.991 237 E CA 1.413 57.837 56.400 0.041 0.000 0.799 237 E CB -0.287 29.437 29.700 0.039 0.000 0.748 237 E HN 0.526 nan 8.360 nan 0.000 0.449 238 D N -0.224 120.251 120.400 0.125 0.000 2.144 238 D HA -0.049 4.591 4.640 0.000 0.000 0.200 238 D C 1.788 178.220 176.300 0.220 0.000 0.978 238 D CA 1.369 55.512 54.000 0.238 0.000 0.833 238 D CB -0.295 40.671 40.800 0.277 0.000 0.961 238 D HN 0.184 nan 8.370 nan 0.000 0.470 239 A N 0.600 123.506 122.820 0.143 0.000 1.902 239 A HA -0.221 4.099 4.320 0.000 0.000 0.217 239 A C 1.993 179.629 177.584 0.087 0.000 1.181 239 A CA 2.031 54.139 52.037 0.119 0.000 0.623 239 A CB -0.668 18.384 19.000 0.086 0.000 0.818 239 A HN 0.148 nan 8.150 nan 0.000 0.443 240 D N -1.047 119.383 120.400 0.050 0.000 2.117 240 D HA -0.167 4.473 4.640 0.000 0.000 0.197 240 D C 2.132 178.416 176.300 -0.028 0.000 0.987 240 D CA 1.371 55.378 54.000 0.012 0.000 0.829 240 D CB -0.048 40.750 40.800 -0.004 0.000 0.961 240 D HN 0.297 nan 8.370 nan 0.000 0.460 241 R N -0.177 120.274 120.500 -0.082 0.000 2.096 241 R HA -0.036 4.304 4.340 0.000 0.000 0.235 241 R C 2.100 178.320 176.300 -0.134 0.000 1.127 241 R CA 1.351 57.286 56.100 -0.275 0.000 0.968 241 R CB -1.051 28.847 30.300 -0.671 0.000 0.861 241 R HN 0.275 nan 8.270 nan 0.000 0.440 242 C N 0.079 119.454 119.300 0.124 0.000 2.429 242 C HA -0.033 4.427 4.460 0.000 0.000 0.277 242 C C 2.463 177.533 174.990 0.133 0.000 1.262 242 C CA 0.441 59.621 59.018 0.270 0.000 1.733 242 C CB -0.860 27.043 27.740 0.270 0.000 2.010 242 C HN 0.471 nan 8.230 nan 0.000 0.483 243 I N 1.636 122.251 120.570 0.074 0.000 2.252 243 I HA -0.137 4.033 4.170 0.000 0.000 0.245 243 I C 2.760 178.893 176.117 0.026 0.000 1.102 243 I CA 1.905 63.233 61.300 0.047 0.000 1.385 243 I CB -1.786 36.233 38.000 0.032 0.000 1.064 243 I HN 0.260 nan 8.210 nan 0.000 0.414 244 A N 0.303 123.120 122.820 -0.005 0.000 1.972 244 A HA -0.147 4.173 4.320 0.000 0.000 0.219 244 A C 1.943 179.522 177.584 -0.009 0.000 1.169 244 A CA 1.227 53.247 52.037 -0.028 0.000 0.635 244 A CB -0.375 18.577 19.000 -0.080 0.000 0.810 244 A HN 0.367 nan 8.150 nan 0.000 0.446 245 E N -1.344 118.869 120.200 0.022 0.000 2.489 245 E HA 0.201 4.551 4.350 0.000 0.000 0.193 245 E C 1.207 177.862 176.600 0.091 0.000 1.057 245 E CA 0.704 57.150 56.400 0.076 0.000 0.866 245 E CB 0.102 29.912 29.700 0.183 0.000 0.916 245 E HN 0.773 nan 8.360 nan 0.000 0.500 246 G N 0.701 109.543 108.800 0.069 0.000 2.231 246 G HA2 -0.221 3.739 3.960 0.000 0.000 0.206 246 G HA3 -0.221 3.739 3.960 0.000 0.000 0.206 246 G C 0.574 175.515 174.900 0.067 0.000 0.996 246 G CA -0.091 45.046 45.100 0.063 0.000 0.645 246 G HN 0.479 nan 8.290 nan 0.000 0.498 247 A N 0.529 123.399 122.820 0.083 0.000 2.483 247 A HA 0.506 4.826 4.320 0.000 0.000 0.238 247 A C 1.016 178.631 177.584 0.051 0.000 1.070 247 A CA 0.926 53.006 52.037 0.072 0.000 0.770 247 A CB 0.247 19.299 19.000 0.088 0.000 1.008 247 A HN 0.226 nan 8.150 nan 0.000 0.497 248 D N 0.605 121.028 120.400 0.037 0.000 2.350 248 D HA 0.292 4.932 4.640 0.000 0.000 0.213 248 D C 0.788 177.102 176.300 0.024 0.000 1.031 248 D CA 1.467 55.483 54.000 0.027 0.000 0.861 248 D CB 0.506 41.317 40.800 0.019 0.000 0.926 248 D HN 0.812 nan 8.370 nan 0.000 0.520 249 G N 0.047 108.864 108.800 0.028 0.000 2.322 249 G HA2 0.391 4.351 3.960 0.000 0.000 0.295 249 G HA3 0.391 4.351 3.960 0.000 0.000 0.295 249 G C -1.491 173.434 174.900 0.040 0.000 1.369 249 G CA -0.223 44.898 45.100 0.035 0.000 0.821 249 G HN 0.106 nan 8.290 nan 0.000 0.536 250 V N -2.583 117.360 119.914 0.048 0.000 3.160 250 V HA 0.888 5.008 4.120 0.000 0.000 0.310 250 V C -0.792 175.330 176.094 0.047 0.000 1.181 250 V CA -1.286 61.045 62.300 0.051 0.000 1.047 250 V CB 2.003 33.867 31.823 0.067 0.000 1.068 250 V HN 0.890 nan 8.190 nan 0.000 0.441 251 I N 2.634 123.228 120.570 0.040 0.000 2.420 251 I HA 0.395 4.565 4.170 0.000 0.000 0.282 251 I C -0.497 175.644 176.117 0.040 0.000 1.019 251 I CA -0.405 60.914 61.300 0.032 0.000 1.130 251 I CB 1.597 39.604 38.000 0.012 0.000 1.262 251 I HN 0.494 nan 8.210 nan 0.000 0.454 252 L N 5.306 126.561 121.223 0.053 0.000 2.410 252 L HA 0.376 4.716 4.340 0.000 0.000 0.273 252 L C 0.420 177.335 176.870 0.076 0.000 1.152 252 L CA 0.449 55.331 54.840 0.069 0.000 0.855 252 L CB 0.943 43.049 42.059 0.079 0.000 1.129 252 L HN 0.642 nan 8.230 nan 0.000 0.463 253 S N 1.625 117.372 115.700 0.078 0.000 2.580 253 S HA 0.301 4.771 4.470 0.000 0.000 0.281 253 S C -0.653 174.005 174.600 0.096 0.000 1.129 253 S CA -0.883 57.367 58.200 0.083 0.000 0.862 253 S CB 1.214 64.441 63.200 0.044 0.000 1.090 253 S HN 0.728 nan 8.310 nan 0.000 0.451 254 N N 1.711 120.475 118.700 0.107 0.000 2.282 254 N HA 0.226 4.966 4.740 0.000 0.000 0.240 254 N C -0.038 175.582 175.510 0.183 0.000 1.182 254 N CA 0.074 53.199 53.050 0.124 0.000 0.874 254 N CB -0.492 38.059 38.487 0.106 0.000 1.126 254 N HN 0.876 nan 8.380 nan 0.000 0.516 255 H N 0.192 119.284 119.070 0.037 0.000 2.839 255 H HA -0.116 4.440 4.556 0.000 0.000 0.298 255 H C 1.080 176.414 175.328 0.010 0.000 1.224 255 H CA 0.747 56.809 56.048 0.022 0.000 1.144 255 H CB -1.361 28.417 29.762 0.027 0.000 1.372 255 H HN 0.669 nan 8.280 nan 0.000 0.408 256 G N -0.631 108.217 108.800 0.081 0.000 2.249 256 G HA2 -0.043 3.917 3.960 0.000 0.000 0.273 256 G HA3 -0.043 3.917 3.960 0.000 0.000 0.273 256 G C 1.466 176.406 174.900 0.066 0.000 1.036 256 G CA 1.197 46.331 45.100 0.056 0.000 0.824 256 G HN 1.825 nan 8.290 nan 0.000 0.504 257 G N -1.274 107.579 108.800 0.089 0.000 2.168 257 G HA2 -0.350 3.610 3.960 0.000 0.000 0.257 257 G HA3 -0.350 3.610 3.960 0.000 0.000 0.257 257 G C 0.996 175.925 174.900 0.048 0.000 0.997 257 G CA 1.276 46.419 45.100 0.072 0.000 0.708 257 G HN 1.015 nan 8.290 nan 0.000 0.520 258 R N -1.025 119.514 120.500 0.065 0.000 2.300 258 R HA 0.176 4.516 4.340 0.000 0.000 0.199 258 R C 2.177 178.462 176.300 -0.025 0.000 0.920 258 R CA 0.821 56.933 56.100 0.021 0.000 1.046 258 R CB 0.058 30.395 30.300 0.062 0.000 0.984 258 R HN 0.371 nan 8.270 nan 0.000 0.493 259 Q N -0.432 119.356 119.800 -0.020 0.000 2.548 259 Q HA 0.187 4.527 4.340 0.000 0.000 0.230 259 Q C -0.147 175.849 176.000 -0.007 0.000 0.899 259 Q CA 0.433 56.203 55.803 -0.056 0.000 0.936 259 Q CB 0.486 29.153 28.738 -0.118 0.000 1.114 259 Q HN 0.072 nan 8.270 nan 0.000 0.606 260 L N 1.950 123.183 121.223 0.016 0.000 2.415 260 L HA 0.300 4.640 4.340 0.000 0.000 0.268 260 L C 0.216 177.108 176.870 0.037 0.000 0.984 260 L CA 0.029 54.883 54.840 0.024 0.000 0.853 260 L CB 1.621 43.694 42.059 0.024 0.000 1.215 260 L HN -0.118 nan 8.230 nan 0.000 0.419 261 D N 2.077 122.497 120.400 0.032 0.000 2.158 261 D HA -0.178 4.462 4.640 0.000 0.000 0.197 261 D C 1.203 177.543 176.300 0.067 0.000 0.995 261 D CA 1.689 55.713 54.000 0.040 0.000 0.846 261 D CB 0.336 41.138 40.800 0.002 0.000 0.941 261 D HN 0.712 nan 8.370 nan 0.000 0.456 262 C N 0.783 120.115 119.300 0.053 0.000 2.625 262 C HA 0.646 5.107 4.460 0.000 0.000 0.285 262 C C 0.996 175.999 174.990 0.022 0.000 1.279 262 C CA -0.692 58.349 59.018 0.040 0.000 1.698 262 C CB -1.789 25.971 27.740 0.033 0.000 1.821 262 C HN 0.342 nan 8.230 nan 0.000 0.600 263 A N 1.372 124.218 122.820 0.044 0.000 2.445 263 A HA 0.504 4.824 4.320 0.000 0.000 0.242 263 A C 0.380 178.006 177.584 0.070 0.000 1.075 263 A CA -0.214 51.855 52.037 0.053 0.000 0.777 263 A CB 0.092 19.132 19.000 0.067 0.000 1.013 263 A HN 0.650 nan 8.150 nan 0.000 0.493 264 I N 0.179 120.791 120.570 0.071 0.000 3.060 264 I HA 0.395 4.565 4.170 0.000 0.000 0.285 264 I C 0.692 176.905 176.117 0.159 0.000 1.190 264 I CA -0.198 61.170 61.300 0.113 0.000 1.363 264 I CB 0.556 38.611 38.000 0.092 0.000 1.396 264 I HN 0.521 nan 8.210 nan 0.000 0.607 265 S N 3.272 119.091 115.700 0.199 0.000 2.565 265 S HA 0.389 4.859 4.470 0.000 0.000 0.274 265 S C -1.215 173.414 174.600 0.049 0.000 1.309 265 S CA -1.431 56.804 58.200 0.058 0.000 1.043 265 S CB 0.892 63.993 63.200 -0.165 0.000 0.939 265 S HN 0.655 nan 8.310 nan 0.000 0.504 266 P HA -0.106 nan 4.420 nan 0.000 0.222 266 P C 1.458 178.797 177.300 0.066 0.000 1.147 266 P CA 0.945 64.090 63.100 0.075 0.000 0.790 266 P CB -0.007 31.756 31.700 0.105 0.000 0.780 267 M N -0.054 119.554 119.600 0.012 0.000 2.358 267 M HA -0.105 4.375 4.480 0.000 0.000 0.264 267 M C 1.753 178.138 176.300 0.142 0.000 1.064 267 M CA 1.410 56.719 55.300 0.016 0.000 1.093 267 M CB -1.262 31.257 32.600 -0.135 0.000 1.401 267 M HN 0.117 nan 8.290 nan 0.000 0.440 268 E N 0.016 120.289 120.200 0.123 0.000 2.347 268 E HA -0.082 4.268 4.350 0.000 0.000 0.196 268 E C 1.524 178.198 176.600 0.124 0.000 1.008 268 E CA 1.083 57.569 56.400 0.143 0.000 0.852 268 E CB 0.156 29.922 29.700 0.111 0.000 0.783 268 E HN 0.504 nan 8.360 nan 0.000 0.505 269 V N -1.961 118.014 119.914 0.102 0.000 3.252 269 V HA 0.138 4.258 4.120 0.000 0.000 0.320 269 V C 1.411 177.552 176.094 0.078 0.000 1.459 269 V CA -0.259 62.093 62.300 0.087 0.000 1.095 269 V CB 0.170 32.039 31.823 0.077 0.000 0.997 269 V HN 0.036 nan 8.190 nan 0.000 0.469 270 L N 2.492 123.760 121.223 0.076 0.000 1.976 270 L HA 0.144 4.484 4.340 0.000 0.000 0.209 270 L C 2.660 179.557 176.870 0.045 0.000 1.071 270 L CA 2.880 57.752 54.840 0.053 0.000 0.746 270 L CB -0.991 41.084 42.059 0.027 0.000 0.890 270 L HN 0.303 nan 8.230 nan 0.000 0.432 271 A N -1.120 121.730 122.820 0.050 0.000 1.908 271 A HA -0.303 4.018 4.320 0.000 0.000 0.218 271 A C 2.348 179.964 177.584 0.054 0.000 1.181 271 A CA 1.980 54.047 52.037 0.050 0.000 0.627 271 A CB -0.805 18.239 19.000 0.074 0.000 0.818 271 A HN 0.708 nan 8.150 nan 0.000 0.445 272 Q N -0.379 119.458 119.800 0.062 0.000 2.119 272 Q HA -0.134 4.206 4.340 0.000 0.000 0.201 272 Q C 2.201 178.230 176.000 0.047 0.000 0.972 272 Q CA 1.730 57.566 55.803 0.054 0.000 0.847 272 Q CB -0.110 28.663 28.738 0.057 0.000 0.903 272 Q HN 0.622 nan 8.270 nan 0.000 0.433 273 S N -0.283 115.447 115.700 0.051 0.000 2.383 273 S HA -0.103 4.367 4.470 0.000 0.000 0.227 273 S C 1.956 176.580 174.600 0.041 0.000 1.026 273 S CA 1.102 59.331 58.200 0.048 0.000 0.981 273 S CB -0.128 63.105 63.200 0.055 0.000 0.818 273 S HN 0.222 nan 8.310 nan 0.000 0.472 274 V N 2.008 121.945 119.914 0.038 0.000 2.295 274 V HA -0.204 3.916 4.120 0.000 0.000 0.246 274 V C 2.647 178.759 176.094 0.030 0.000 1.049 274 V CA 1.797 64.116 62.300 0.032 0.000 1.024 274 V CB -1.144 30.696 31.823 0.028 0.000 0.648 274 V HN 0.542 nan 8.190 nan 0.000 0.447 275 A N -0.541 122.298 122.820 0.033 0.000 1.898 275 A HA -0.234 4.086 4.320 0.000 0.000 0.216 275 A C 2.350 179.950 177.584 0.026 0.000 1.181 275 A CA 2.117 54.172 52.037 0.030 0.000 0.620 275 A CB -0.407 18.612 19.000 0.033 0.000 0.819 275 A HN 0.521 nan 8.150 nan 0.000 0.442 276 K N -0.569 119.848 120.400 0.028 0.000 2.031 276 K HA -0.122 4.198 4.320 0.000 0.000 0.205 276 K C 2.261 178.873 176.600 0.020 0.000 1.049 276 K CA 1.884 58.185 56.287 0.023 0.000 0.939 276 K CB -0.285 32.230 32.500 0.025 0.000 0.717 276 K HN 0.603 nan 8.250 nan 0.000 0.438 277 T N -2.890 111.679 114.554 0.025 0.000 2.857 277 T HA 0.046 4.396 4.350 0.000 0.000 0.266 277 T C 1.538 176.251 174.700 0.022 0.000 1.048 277 T CA 1.098 63.212 62.100 0.024 0.000 1.139 277 T CB -0.470 68.417 68.868 0.033 0.000 0.874 277 T HN 0.435 nan 8.240 nan 0.000 0.455 278 G N 1.586 110.400 108.800 0.023 0.000 2.166 278 G HA2 -0.221 3.739 3.960 0.000 0.000 0.260 278 G HA3 -0.221 3.739 3.960 0.000 0.000 0.260 278 G C 0.059 174.972 174.900 0.021 0.000 0.986 278 G CA 0.584 45.697 45.100 0.020 0.000 0.683 278 G HN 0.694 nan 8.290 nan 0.000 0.527 279 K N -0.437 119.978 120.400 0.025 0.000 2.352 279 K HA 0.552 4.872 4.320 0.000 0.000 0.240 279 K C -2.751 173.867 176.600 0.030 0.000 1.017 279 K CA -2.275 54.028 56.287 0.027 0.000 0.851 279 K CB 0.964 33.481 32.500 0.029 0.000 1.261 279 K HN -0.116 nan 8.250 nan 0.000 0.451 280 P HA 0.027 nan 4.420 nan 0.000 0.261 280 P C -0.796 176.527 177.300 0.038 0.000 1.183 280 P CA 0.023 63.144 63.100 0.035 0.000 0.761 280 P CB 0.338 32.063 31.700 0.042 0.000 0.785 281 V N 5.879 125.813 119.914 0.033 0.000 2.325 281 V HA 0.216 4.336 4.120 0.000 0.000 0.280 281 V C 0.202 176.311 176.094 0.024 0.000 1.016 281 V CA -0.459 61.862 62.300 0.035 0.000 0.818 281 V CB 0.905 32.749 31.823 0.034 0.000 1.019 281 V HN 0.356 nan 8.190 nan 0.000 0.434 282 L N 5.036 126.275 121.223 0.027 0.000 2.431 282 L HA 0.673 5.013 4.340 0.000 0.000 0.260 282 L C -0.195 176.672 176.870 -0.005 0.000 1.098 282 L CA -0.153 54.687 54.840 0.000 0.000 0.800 282 L CB 1.473 43.544 42.059 0.021 0.000 1.210 282 L HN 0.561 nan 8.230 nan 0.000 0.465 283 I N -0.350 120.187 120.570 -0.054 0.000 2.908 283 I HA 0.462 4.632 4.170 0.000 0.000 0.300 283 I C -2.031 174.043 176.117 -0.072 0.000 1.385 283 I CA -0.318 60.980 61.300 -0.005 0.000 1.004 283 I CB 2.293 40.343 38.000 0.082 0.000 1.309 283 I HN 0.858 nan 8.210 nan 0.000 0.449 284 D N 2.782 123.245 120.400 0.106 0.000 2.759 284 D HA 0.665 5.305 4.640 0.000 0.000 0.321 284 D C -1.521 175.020 176.300 0.401 0.000 1.267 284 D CA -0.510 53.596 54.000 0.177 0.000 0.933 284 D CB 1.837 42.643 40.800 0.010 0.000 1.431 284 D HN 0.536 nan 8.370 nan 0.000 0.504 285 S N -1.372 114.549 115.700 0.368 0.000 3.488 285 S HA 0.433 4.903 4.470 0.000 0.000 0.820 285 S C 0.623 175.328 174.600 0.175 0.000 0.493 285 S CA 0.618 58.952 58.200 0.223 0.000 1.476 285 S CB -1.396 61.889 63.200 0.143 0.000 0.932 285 S HN 1.959 nan 8.310 nan 0.000 1.058 286 G N 1.222 110.114 108.800 0.153 0.000 2.176 286 G HA2 -0.235 3.725 3.960 0.000 0.000 0.232 286 G HA3 -0.235 3.725 3.960 0.000 0.000 0.232 286 G C -0.128 174.789 174.900 0.029 0.000 0.986 286 G CA -0.113 45.055 45.100 0.113 0.000 0.643 286 G HN 0.861 nan 8.290 nan 0.000 0.522 287 F N 1.262 121.266 119.950 0.089 0.000 2.506 287 F HA 0.604 5.131 4.527 0.000 0.000 0.371 287 F C 1.675 177.416 175.800 -0.099 0.000 1.078 287 F CA -0.090 57.841 58.000 -0.115 0.000 1.195 287 F CB 0.873 39.819 39.000 -0.090 0.000 1.099 287 F HN -0.076 nan 8.300 nan 0.000 0.548 288 R N 1.254 121.734 120.500 -0.033 0.000 2.561 288 R HA 0.224 4.564 4.340 0.000 0.000 0.213 288 R C 0.403 176.707 176.300 0.006 0.000 0.885 288 R CA -0.047 56.067 56.100 0.024 0.000 1.002 288 R CB 0.386 30.714 30.300 0.046 0.000 1.432 288 R HN 0.386 nan 8.270 nan 0.000 0.651 289 R N -0.070 120.394 120.500 -0.062 0.000 2.732 289 R HA 0.404 4.745 4.340 0.000 0.000 0.278 289 R C 1.113 177.398 176.300 -0.024 0.000 0.976 289 R CA -0.120 55.962 56.100 -0.030 0.000 0.963 289 R CB 1.179 31.458 30.300 -0.035 0.000 1.150 289 R HN 0.147 nan 8.270 nan 0.000 0.478 290 G N 0.338 109.142 108.800 0.007 0.000 2.450 290 G HA2 -0.284 3.676 3.960 0.000 0.000 0.220 290 G HA3 -0.284 3.676 3.960 0.000 0.000 0.220 290 G C 1.281 176.211 174.900 0.049 0.000 1.130 290 G CA 1.221 46.329 45.100 0.013 0.000 0.760 290 G HN 0.636 nan 8.290 nan 0.000 0.557 291 S N 1.044 116.797 115.700 0.088 0.000 2.399 291 S HA -0.129 4.341 4.470 0.000 0.000 0.231 291 S C 1.766 176.429 174.600 0.105 0.000 1.022 291 S CA 1.620 59.958 58.200 0.230 0.000 0.983 291 S CB -0.262 63.107 63.200 0.281 0.000 0.803 291 S HN 0.331 nan 8.310 nan 0.000 0.480 292 D N 2.045 122.364 120.400 -0.135 0.000 2.097 292 D HA -0.001 4.639 4.640 0.000 0.000 0.195 292 D C 1.970 178.293 176.300 0.039 0.000 0.989 292 D CA 1.231 54.933 54.000 -0.497 0.000 0.827 292 D CB -0.454 39.634 40.800 -1.186 0.000 0.966 292 D HN 0.454 nan 8.370 nan 0.000 0.456 293 I N 0.651 121.316 120.570 0.158 0.000 2.179 293 I HA -0.232 3.939 4.170 0.000 0.000 0.242 293 I C 2.492 178.670 176.117 0.101 0.000 1.088 293 I CA 0.681 62.070 61.300 0.149 0.000 1.357 293 I CB -0.216 37.786 38.000 0.003 0.000 1.051 293 I HN -0.125 nan 8.210 nan 0.000 0.409 294 V N 0.808 120.784 119.914 0.103 0.000 2.407 294 V HA -0.282 3.838 4.120 0.000 0.000 0.248 294 V C 2.408 178.596 176.094 0.155 0.000 1.055 294 V CA 1.791 64.150 62.300 0.099 0.000 1.049 294 V CB -0.703 31.175 31.823 0.091 0.000 0.662 294 V HN 0.387 nan 8.190 nan 0.000 0.455 295 K N 0.270 120.789 120.400 0.198 0.000 2.057 295 K HA -0.129 4.191 4.320 0.000 0.000 0.207 295 K C 2.325 178.897 176.600 -0.046 0.000 1.049 295 K CA 1.524 57.845 56.287 0.057 0.000 0.931 295 K CB -0.431 32.066 32.500 -0.004 0.000 0.714 295 K HN 0.477 nan 8.250 nan 0.000 0.440 296 A N 1.308 124.188 122.820 0.101 0.000 1.902 296 A HA -0.123 4.197 4.320 0.000 0.000 0.217 296 A C 2.116 179.703 177.584 0.004 0.000 1.181 296 A CA 1.236 53.325 52.037 0.086 0.000 0.623 296 A CB -0.640 18.548 19.000 0.313 0.000 0.818 296 A HN 0.154 nan 8.150 nan 0.000 0.443 297 L N -0.786 120.439 121.223 0.004 0.000 2.083 297 L HA -0.184 4.156 4.340 0.000 0.000 0.209 297 L C 3.046 179.904 176.870 -0.021 0.000 1.083 297 L CA 1.026 55.851 54.840 -0.024 0.000 0.752 297 L CB -0.562 41.473 42.059 -0.040 0.000 0.899 297 L HN 0.433 nan 8.230 nan 0.000 0.433 298 A N -0.049 122.764 122.820 -0.011 0.000 1.972 298 A HA -0.110 4.210 4.320 0.000 0.000 0.219 298 A C 2.136 179.718 177.584 -0.003 0.000 1.169 298 A CA 1.208 53.252 52.037 0.013 0.000 0.635 298 A CB -0.561 18.480 19.000 0.068 0.000 0.810 298 A HN 0.403 nan 8.150 nan 0.000 0.446 299 L N -1.554 119.629 121.223 -0.066 0.000 2.599 299 L HA 0.176 4.516 4.340 0.000 0.000 0.230 299 L C 1.655 178.510 176.870 -0.025 0.000 1.141 299 L CA 0.617 55.410 54.840 -0.078 0.000 0.877 299 L CB -0.008 41.935 42.059 -0.194 0.000 1.009 299 L HN 0.600 nan 8.230 nan 0.000 0.447 300 G N -0.762 108.031 108.800 -0.012 0.000 2.192 300 G HA2 -0.191 3.769 3.960 0.000 0.000 0.193 300 G HA3 -0.191 3.769 3.960 0.000 0.000 0.193 300 G C 0.407 175.307 174.900 -0.001 0.000 0.999 300 G CA -0.217 44.884 45.100 0.002 0.000 0.659 300 G HN 0.400 nan 8.290 nan 0.000 0.503 301 A N 0.371 123.185 122.820 -0.009 0.000 2.511 301 A HA 0.579 4.899 4.320 0.000 0.000 0.242 301 A C 1.178 178.749 177.584 -0.021 0.000 1.069 301 A CA 1.459 53.488 52.037 -0.012 0.000 0.763 301 A CB 0.425 19.411 19.000 -0.023 0.000 1.001 301 A HN 0.727 nan 8.150 nan 0.000 0.498 302 E N 1.454 121.646 120.200 -0.013 0.000 2.107 302 E HA 0.253 4.603 4.350 0.000 0.000 0.191 302 E C 0.483 177.063 176.600 -0.033 0.000 0.982 302 E CA 1.482 57.877 56.400 -0.008 0.000 0.809 302 E CB 0.043 29.754 29.700 0.018 0.000 0.756 302 E HN 1.037 nan 8.360 nan 0.000 0.459 303 A N -1.016 121.767 122.820 -0.060 0.000 2.586 303 A HA 0.553 4.873 4.320 0.000 0.000 0.291 303 A C -1.650 175.821 177.584 -0.188 0.000 1.062 303 A CA -0.689 51.280 52.037 -0.113 0.000 0.666 303 A CB 1.566 20.510 19.000 -0.093 0.000 1.281 303 A HN -0.020 nan 8.150 nan 0.000 0.421 304 V N 1.022 120.769 119.914 -0.279 0.000 2.495 304 V HA 0.534 4.654 4.120 0.000 0.000 0.298 304 V C -0.811 175.061 176.094 -0.371 0.000 1.031 304 V CA -0.395 61.629 62.300 -0.461 0.000 0.871 304 V CB 1.299 32.681 31.823 -0.735 0.000 0.988 304 V HN 0.694 nan 8.190 nan 0.000 0.432 305 L N 5.539 126.561 121.223 -0.335 0.000 2.307 305 L HA 0.530 4.870 4.340 0.000 0.000 0.282 305 L C -0.230 176.510 176.870 -0.217 0.000 1.051 305 L CA 0.063 54.748 54.840 -0.258 0.000 0.804 305 L CB 1.173 43.105 42.059 -0.213 0.000 1.197 305 L HN 0.406 nan 8.230 nan 0.000 0.431 306 L N 2.123 123.235 121.223 -0.185 0.000 2.307 306 L HA 0.603 4.943 4.340 0.000 0.000 0.282 306 L C 0.873 177.664 176.870 -0.130 0.000 1.051 306 L CA -0.152 54.610 54.840 -0.130 0.000 0.804 306 L CB 1.362 43.346 42.059 -0.125 0.000 1.197 306 L HN 0.815 nan 8.230 nan 0.000 0.431 307 G N 1.559 110.289 108.800 -0.116 0.000 2.508 307 G HA2 0.107 4.067 3.960 0.000 0.000 0.217 307 G HA3 0.107 4.067 3.960 0.000 0.000 0.217 307 G C 1.182 175.957 174.900 -0.209 0.000 2.004 307 G CA -0.222 44.790 45.100 -0.147 0.000 0.750 307 G HN 0.554 nan 8.290 nan 0.000 0.730 308 R N 0.670 121.005 120.500 -0.275 0.000 2.120 308 R HA 0.023 4.363 4.340 0.000 0.000 0.234 308 R C 2.861 178.671 176.300 -0.817 0.000 1.123 308 R CA 1.079 56.840 56.100 -0.566 0.000 0.975 308 R CB -0.391 29.561 30.300 -0.580 0.000 0.866 308 R HN 0.344 nan 8.270 nan 0.000 0.446 309 A N 1.086 123.660 122.820 -0.410 0.000 1.884 309 A HA -0.235 4.085 4.320 0.000 0.000 0.219 309 A C 2.252 179.728 177.584 -0.180 0.000 1.197 309 A CA 2.432 54.347 52.037 -0.203 0.000 0.637 309 A CB -1.087 17.882 19.000 -0.052 0.000 0.827 309 A HN 0.490 nan 8.150 nan 0.000 0.450 310 T N -1.386 113.062 114.554 -0.178 0.000 3.023 310 T HA 0.121 4.471 4.350 0.000 0.000 0.266 310 T C 1.705 176.332 174.700 -0.123 0.000 1.093 310 T CA 1.034 63.048 62.100 -0.142 0.000 1.129 310 T CB -0.340 68.462 68.868 -0.111 0.000 0.899 310 T HN 0.305 nan 8.240 nan 0.000 0.491 311 L N -0.664 120.455 121.223 -0.174 0.000 2.201 311 L HA 0.003 4.344 4.340 0.000 0.000 0.212 311 L C 2.417 179.299 176.870 0.021 0.000 1.105 311 L CA 1.119 55.902 54.840 -0.095 0.000 0.775 311 L CB -0.624 41.350 42.059 -0.142 0.000 0.913 311 L HN 0.205 nan 8.230 nan 0.000 0.440 312 Y N 0.188 120.520 120.300 0.053 0.000 2.242 312 Y HA -0.084 4.466 4.550 0.000 0.000 0.291 312 Y C 2.598 178.569 175.900 0.119 0.000 1.137 312 Y CA 0.784 58.956 58.100 0.120 0.000 1.181 312 Y CB -1.391 37.159 38.460 0.151 0.000 0.989 312 Y HN 0.073 nan 8.280 nan 0.000 0.527 313 G N -0.148 108.726 108.800 0.124 0.000 2.418 313 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 313 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 313 G C 1.744 176.606 174.900 -0.062 0.000 1.158 313 G CA 0.999 46.066 45.100 -0.054 0.000 0.771 313 G HN 0.358 nan 8.290 nan 0.000 0.545 314 L N 1.311 122.490 121.223 -0.073 0.000 1.994 314 L HA 0.162 4.502 4.340 0.000 0.000 0.208 314 L C 3.054 179.896 176.870 -0.047 0.000 1.071 314 L CA 2.316 57.069 54.840 -0.145 0.000 0.745 314 L CB -0.673 41.371 42.059 -0.025 0.000 0.892 314 L HN 0.216 nan 8.230 nan 0.000 0.431 315 A N -0.791 122.139 122.820 0.185 0.000 1.972 315 A HA -0.021 4.299 4.320 0.000 0.000 0.219 315 A C 2.357 180.162 177.584 0.368 0.000 1.169 315 A CA 1.678 53.932 52.037 0.362 0.000 0.635 315 A CB -0.976 18.236 19.000 0.354 0.000 0.810 315 A HN 0.590 nan 8.150 nan 0.000 0.446 316 A N -0.931 122.024 122.820 0.225 0.000 1.878 316 A HA 0.138 4.458 4.320 0.000 0.000 0.213 316 A C 1.885 179.523 177.584 0.091 0.000 1.192 316 A CA 1.121 53.275 52.037 0.194 0.000 0.619 316 A CB -0.018 19.101 19.000 0.197 0.000 0.837 316 A HN 0.418 nan 8.150 nan 0.000 0.446 317 R N -1.688 118.708 120.500 -0.174 0.000 2.582 317 R HA 0.351 4.691 4.340 0.000 0.000 0.453 317 R C 0.778 176.516 176.300 -0.937 0.000 0.969 317 R CA 0.249 56.120 56.100 -0.382 0.000 1.113 317 R CB 0.612 30.866 30.300 -0.075 0.000 1.507 317 R HN 0.655 nan 8.270 nan 0.000 0.587 318 G N 1.787 109.462 108.800 -1.875 0.000 2.574 318 G HA2 -0.433 3.527 3.960 0.000 0.000 0.282 318 G HA3 -0.433 3.527 3.960 0.000 0.000 0.282 318 G C 0.734 175.164 174.900 -0.783 0.000 1.257 318 G CA 0.549 44.423 45.100 -2.043 0.000 0.956 318 G HN 0.423 nan 8.290 nan 0.000 0.560 319 E N -0.962 118.947 120.200 -0.486 0.000 2.097 319 E HA -0.160 4.190 4.350 0.000 0.000 0.196 319 E C 2.692 179.165 176.600 -0.211 0.000 1.000 319 E CA 2.183 58.432 56.400 -0.251 0.000 0.804 319 E CB -0.414 29.206 29.700 -0.133 0.000 0.740 319 E HN 0.547 nan 8.360 nan 0.000 0.454 320 T N -0.346 114.093 114.554 -0.191 0.000 2.788 320 T HA -0.118 4.232 4.350 0.000 0.000 0.268 320 T C 1.644 176.261 174.700 -0.139 0.000 1.044 320 T CA 1.092 63.115 62.100 -0.129 0.000 1.139 320 T CB -0.516 68.303 68.868 -0.082 0.000 0.867 320 T HN 0.417 nan 8.240 nan 0.000 0.454 321 G N 1.019 109.704 108.800 -0.192 0.000 2.418 321 G HA2 -0.166 3.794 3.960 0.000 0.000 0.217 321 G HA3 -0.166 3.794 3.960 0.000 0.000 0.217 321 G C 1.680 176.424 174.900 -0.261 0.000 1.158 321 G CA 0.883 45.896 45.100 -0.144 0.000 0.771 321 G HN 0.451 nan 8.290 nan 0.000 0.545 322 V N 1.351 121.121 119.914 -0.241 0.000 2.358 322 V HA -0.143 3.977 4.120 0.000 0.000 0.246 322 V C 2.546 178.523 176.094 -0.196 0.000 1.047 322 V CA 2.020 64.190 62.300 -0.217 0.000 1.035 322 V CB -0.414 31.303 31.823 -0.176 0.000 0.658 322 V HN 0.259 nan 8.190 nan 0.000 0.452 323 D N 0.167 120.469 120.400 -0.163 0.000 2.104 323 D HA -0.184 4.456 4.640 0.000 0.000 0.194 323 D C 2.216 178.437 176.300 -0.131 0.000 0.994 323 D CA 1.515 55.439 54.000 -0.126 0.000 0.830 323 D CB -0.163 40.579 40.800 -0.096 0.000 0.959 323 D HN 0.582 nan 8.370 nan 0.000 0.452 324 E N 0.228 120.337 120.200 -0.151 0.000 2.077 324 E HA -0.109 4.241 4.350 0.000 0.000 0.193 324 E C 2.333 178.792 176.600 -0.235 0.000 0.989 324 E CA 0.549 56.865 56.400 -0.139 0.000 0.800 324 E CB 0.077 29.747 29.700 -0.051 0.000 0.746 324 E HN 0.067 nan 8.360 nan 0.000 0.452 325 V N 1.490 121.157 119.914 -0.411 0.000 2.343 325 V HA -0.243 3.877 4.120 0.000 0.000 0.247 325 V C 2.277 178.255 176.094 -0.193 0.000 1.051 325 V CA 1.440 63.507 62.300 -0.388 0.000 1.036 325 V CB -0.378 31.185 31.823 -0.433 0.000 0.654 325 V HN 0.267 nan 8.190 nan 0.000 0.451 326 L N -0.548 120.576 121.223 -0.164 0.000 2.083 326 L HA -0.163 4.177 4.340 0.000 0.000 0.209 326 L C 2.601 179.419 176.870 -0.087 0.000 1.083 326 L CA 1.805 56.576 54.840 -0.115 0.000 0.752 326 L CB -0.919 41.075 42.059 -0.108 0.000 0.899 326 L HN 0.347 nan 8.230 nan 0.000 0.433 327 T N 0.236 114.741 114.554 -0.082 0.000 2.746 327 T HA -0.138 4.212 4.350 0.000 0.000 0.267 327 T C 1.986 176.667 174.700 -0.031 0.000 1.039 327 T CA 1.156 63.226 62.100 -0.050 0.000 1.142 327 T CB -0.182 68.662 68.868 -0.039 0.000 0.866 327 T HN 0.178 nan 8.240 nan 0.000 0.444 328 L N 0.351 121.556 121.223 -0.030 0.000 2.046 328 L HA -0.037 4.303 4.340 0.000 0.000 0.208 328 L C 2.478 179.345 176.870 -0.004 0.000 1.077 328 L CA 1.136 55.980 54.840 0.007 0.000 0.747 328 L CB -0.529 41.549 42.059 0.032 0.000 0.896 328 L HN 0.253 nan 8.230 nan 0.000 0.432 329 L N -0.269 120.935 121.223 -0.031 0.000 2.093 329 L HA -0.230 4.110 4.340 0.000 0.000 0.208 329 L C 2.693 179.541 176.870 -0.036 0.000 1.085 329 L CA 1.256 56.077 54.840 -0.032 0.000 0.755 329 L CB -0.428 41.600 42.059 -0.051 0.000 0.904 329 L HN 0.262 nan 8.230 nan 0.000 0.435 330 K N 0.406 120.780 120.400 -0.044 0.000 2.057 330 K HA -0.171 4.149 4.320 0.000 0.000 0.206 330 K C 2.123 178.702 176.600 -0.035 0.000 1.050 330 K CA 1.327 57.587 56.287 -0.045 0.000 0.935 330 K CB -0.076 32.396 32.500 -0.047 0.000 0.715 330 K HN 0.251 nan 8.250 nan 0.000 0.439 331 A N 1.254 124.060 122.820 -0.022 0.000 1.969 331 A HA -0.188 4.132 4.320 0.000 0.000 0.218 331 A C 1.871 179.446 177.584 -0.014 0.000 1.169 331 A CA 1.877 53.906 52.037 -0.014 0.000 0.635 331 A CB -0.559 18.443 19.000 0.002 0.000 0.810 331 A HN 0.503 nan 8.150 nan 0.000 0.445 332 D N 0.292 120.686 120.400 -0.010 0.000 2.084 332 D HA -0.114 4.526 4.640 0.000 0.000 0.196 332 D C 1.818 178.102 176.300 -0.026 0.000 0.985 332 D CA 1.348 55.344 54.000 -0.006 0.000 0.826 332 D CB -0.254 40.549 40.800 0.006 0.000 0.978 332 D HN 0.463 nan 8.370 nan 0.000 0.456 333 I N 0.484 121.032 120.570 -0.036 0.000 2.179 333 I HA -0.247 3.923 4.170 0.000 0.000 0.242 333 I C 2.194 178.268 176.117 -0.072 0.000 1.088 333 I CA 1.458 62.725 61.300 -0.055 0.000 1.357 333 I CB -0.312 37.653 38.000 -0.058 0.000 1.051 333 I HN 0.050 nan 8.210 nan 0.000 0.409 334 D N 0.890 121.254 120.400 -0.059 0.000 2.104 334 D HA -0.260 4.380 4.640 0.000 0.000 0.194 334 D C 2.334 178.595 176.300 -0.066 0.000 0.994 334 D CA 1.481 55.444 54.000 -0.061 0.000 0.830 334 D CB -0.067 40.705 40.800 -0.045 0.000 0.959 334 D HN 0.071 nan 8.370 nan 0.000 0.452 335 R N -0.694 119.774 120.500 -0.054 0.000 2.091 335 R HA -0.122 4.218 4.340 0.000 0.000 0.238 335 R C 2.001 178.252 176.300 -0.082 0.000 1.136 335 R CA 1.902 57.971 56.100 -0.052 0.000 0.959 335 R CB -0.435 29.846 30.300 -0.032 0.000 0.856 335 R HN 0.191 nan 8.270 nan 0.000 0.437 336 T N 1.548 116.041 114.554 -0.103 0.000 2.746 336 T HA -0.105 4.245 4.350 0.000 0.000 0.267 336 T C 1.804 176.358 174.700 -0.243 0.000 1.039 336 T CA 1.341 63.333 62.100 -0.182 0.000 1.142 336 T CB -0.127 68.635 68.868 -0.178 0.000 0.866 336 T HN 0.179 nan 8.240 nan 0.000 0.444 337 L N 0.726 121.832 121.223 -0.195 0.000 2.046 337 L HA -0.125 4.215 4.340 0.000 0.000 0.208 337 L C 3.075 179.851 176.870 -0.156 0.000 1.077 337 L CA 1.315 56.032 54.840 -0.205 0.000 0.747 337 L CB -0.734 41.231 42.059 -0.157 0.000 0.896 337 L HN 0.258 nan 8.230 nan 0.000 0.432 338 A N -0.360 122.393 122.820 -0.110 0.000 1.877 338 A HA -0.252 4.068 4.320 0.000 0.000 0.216 338 A C 2.199 179.741 177.584 -0.070 0.000 1.186 338 A CA 1.586 53.579 52.037 -0.073 0.000 0.620 338 A CB -0.493 18.474 19.000 -0.055 0.000 0.822 338 A HN 0.467 nan 8.150 nan 0.000 0.443 339 Q N -0.503 119.242 119.800 -0.092 0.000 2.167 339 Q HA -0.073 4.267 4.340 0.000 0.000 0.202 339 Q C 1.848 177.797 176.000 -0.084 0.000 0.970 339 Q CA 1.546 57.301 55.803 -0.080 0.000 0.855 339 Q CB -0.369 28.317 28.738 -0.087 0.000 0.911 339 Q HN 0.963 nan 8.270 nan 0.000 0.438 340 I N -4.482 116.000 120.570 -0.146 0.000 3.793 340 I HA 0.371 4.541 4.170 0.000 0.000 0.315 340 I C 0.812 176.976 176.117 0.078 0.000 1.275 340 I CA 0.463 61.716 61.300 -0.078 0.000 1.214 340 I CB 0.088 37.935 38.000 -0.256 0.000 1.018 340 I HN 0.141 nan 8.210 nan 0.000 0.439 341 G N 1.522 110.335 108.800 0.022 0.000 2.182 341 G HA2 -0.298 3.662 3.960 0.000 0.000 0.248 341 G HA3 -0.298 3.662 3.960 0.000 0.000 0.248 341 G C 0.024 174.991 174.900 0.112 0.000 1.042 341 G CA 0.052 45.200 45.100 0.080 0.000 0.775 341 G HN 0.558 nan 8.290 nan 0.000 0.501 342 C N 1.831 121.100 119.300 -0.051 0.000 2.816 342 C HA 0.608 5.068 4.460 0.000 0.000 0.255 342 C C 0.097 175.016 174.990 -0.118 0.000 1.141 342 C CA -1.195 57.744 59.018 -0.131 0.000 1.554 342 C CB 0.454 27.864 27.740 -0.549 0.000 1.778 342 C HN 0.371 nan 8.230 nan 0.000 0.429 343 P HA -0.104 nan 4.420 nan 0.000 0.218 343 P C 0.145 177.412 177.300 -0.055 0.000 1.148 343 P CA 1.508 64.579 63.100 -0.049 0.000 0.822 343 P CB 0.164 31.850 31.700 -0.023 0.000 0.784 344 D N -0.394 119.976 120.400 -0.050 0.000 2.329 344 D HA 0.124 4.764 4.640 0.000 0.000 0.232 344 D C 1.151 177.409 176.300 -0.070 0.000 1.088 344 D CA -0.639 53.333 54.000 -0.047 0.000 0.835 344 D CB 1.045 41.830 40.800 -0.025 0.000 1.078 344 D HN -0.114 nan 8.370 nan 0.000 0.495 345 I N 3.141 123.665 120.570 -0.076 0.000 2.423 345 I HA -0.287 3.883 4.170 0.000 0.000 0.254 345 I C 2.005 178.078 176.117 -0.073 0.000 1.151 345 I CA 1.514 62.759 61.300 -0.091 0.000 1.421 345 I CB 0.230 38.182 38.000 -0.080 0.000 1.079 345 I HN 0.487 nan 8.210 nan 0.000 0.431 346 T N -3.407 111.119 114.554 -0.047 0.000 3.113 346 T HA 0.013 4.363 4.350 0.000 0.000 0.263 346 T C 1.540 176.230 174.700 -0.016 0.000 1.143 346 T CA 1.016 63.099 62.100 -0.028 0.000 1.090 346 T CB -0.209 68.649 68.868 -0.016 0.000 0.922 346 T HN 0.234 nan 8.240 nan 0.000 0.521 347 S N 0.587 116.272 115.700 -0.023 0.000 2.575 347 S HA 0.376 4.846 4.470 0.000 0.000 0.215 347 S C 0.639 175.253 174.600 0.023 0.000 0.966 347 S CA -0.427 57.781 58.200 0.013 0.000 0.911 347 S CB -0.346 62.870 63.200 0.028 0.000 0.780 347 S HN 0.493 nan 8.310 nan 0.000 0.514 348 L N 2.859 124.045 121.223 -0.062 0.000 2.514 348 L HA 0.140 4.480 4.340 0.000 0.000 0.280 348 L C 0.635 177.548 176.870 0.071 0.000 1.223 348 L CA 0.025 54.804 54.840 -0.102 0.000 0.864 348 L CB 0.374 42.352 42.059 -0.135 0.000 1.118 348 L HN 0.280 nan 8.230 nan 0.000 0.494 349 S N 1.365 117.198 115.700 0.221 0.000 2.625 349 S HA 0.473 4.943 4.470 0.000 0.000 0.271 349 S C -2.483 172.267 174.600 0.250 0.000 1.161 349 S CA -1.135 57.193 58.200 0.213 0.000 0.820 349 S CB 1.880 65.203 63.200 0.203 0.000 1.137 349 S HN 0.283 nan 8.310 nan 0.000 0.470 350 P HA 0.045 nan 4.420 nan 0.000 0.225 350 P C 0.539 177.927 177.300 0.147 0.000 1.148 350 P CA 0.976 64.157 63.100 0.134 0.000 0.779 350 P CB -0.096 31.660 31.700 0.095 0.000 0.780 351 D N -1.915 118.549 120.400 0.106 0.000 2.309 351 D HA -0.160 4.480 4.640 0.000 0.000 0.212 351 D C 0.838 177.098 176.300 -0.067 0.000 0.968 351 D CA 0.947 54.935 54.000 -0.020 0.000 0.882 351 D CB -0.370 40.348 40.800 -0.137 0.000 0.918 351 D HN 0.220 nan 8.370 nan 0.000 0.503 352 Y N -0.531 119.829 120.300 0.101 0.000 2.490 352 Y HA 0.271 4.821 4.550 0.000 0.000 0.281 352 Y C 0.414 176.456 175.900 0.237 0.000 1.174 352 Y CA 0.037 58.223 58.100 0.144 0.000 1.295 352 Y CB 0.217 38.752 38.460 0.126 0.000 1.062 352 Y HN -0.098 nan 8.280 nan 0.000 0.522 353 L N 0.187 121.595 121.223 0.309 0.000 2.319 353 L HA 0.549 4.889 4.340 0.000 0.000 0.267 353 L C -0.623 176.378 176.870 0.219 0.000 1.011 353 L CA -1.290 53.715 54.840 0.276 0.000 0.818 353 L CB 1.742 43.946 42.059 0.242 0.000 1.316 353 L HN -0.178 nan 8.230 nan 0.000 0.432 354 Q N 1.903 121.828 119.800 0.208 0.000 2.310 354 Q HA 0.344 4.684 4.340 0.000 0.000 0.270 354 Q C -1.246 174.833 176.000 0.131 0.000 1.025 354 Q CA -0.489 55.399 55.803 0.142 0.000 0.772 354 Q CB 1.398 30.192 28.738 0.093 0.000 1.253 354 Q HN 0.427 nan 8.270 nan 0.000 0.450 355 N N 3.589 122.338 118.700 0.083 0.000 2.497 355 N HA 0.144 4.884 4.740 0.000 0.000 0.268 355 N C -0.419 175.017 175.510 -0.123 0.000 1.171 355 N CA 0.047 53.050 53.050 -0.079 0.000 0.948 355 N CB 0.853 39.303 38.487 -0.061 0.000 1.069 355 N HN 0.603 nan 8.380 nan 0.000 0.460 356 E N 0.000 120.067 120.200 -0.221 0.000 2.725 356 E HA 0.000 4.350 4.350 0.000 0.000 0.291 356 E CA 0.000 56.306 56.400 -0.157 0.000 0.976 356 E CB 0.000 29.619 29.700 -0.135 0.000 0.812 356 E HN 0.000 nan 8.360 nan 0.000 0.440