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 1xxi_1_H DATA FIRST_RESID 3 DATA SEQUENCE YQVLARKWRP QTFADVVGQE HVLTALANGL SLGRIHHAYL FSGTRGVGKT DATA SEQUENCE SIARLLAKGL NCETGITATP CGVCDNCREI EQGRFVDLIE IDAASRTKVE DATA SEQUENCE DTRDLLDNVQ YAPARGRFKV YLIDEVHMLS RHSFNALLKT LEEPPEHVKF DATA SEQUENCE LLATTDPQKL PVTILSRCLQ FHLKALDVEQ IRHQLEHILN EEHIAHEPRA DATA SEQUENCE LQLLARAAEG SLRDALSLTD QAIASGDGQV STQAVSAMLG TLDDDQALSL DATA SEQUENCE VEAMVEANGE RVMALINEAA ARGIEWEALL VEMLGLLHRI AMVQLSPAAL DATA SEQUENCE GNDMAAIELR MRELARTIPP TDIQLYYQTL LIGRKELPYA PDRRMGVEMT DATA SEQUENCE LLRALAFHPR MPLPEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.912 175.900 0.020 0.000 1.272 3 Y CA 0.000 58.110 58.100 0.016 0.000 1.940 3 Y CB 0.000 38.467 38.460 0.011 0.000 1.050 4 Q N 2.920 122.827 119.800 0.178 0.000 2.598 4 Q HA 0.372 4.712 4.340 -0.000 0.000 0.237 4 Q C -1.476 174.582 176.000 0.096 0.000 0.914 4 Q CA -0.855 55.002 55.803 0.090 0.000 1.065 4 Q CB 3.355 32.147 28.738 0.090 0.000 1.586 4 Q HN 0.627 nan 8.270 nan 0.000 0.484 5 V N 1.087 121.046 119.914 0.076 0.000 2.398 5 V HA 0.419 4.539 4.120 -0.000 0.000 0.286 5 V C 1.355 177.513 176.094 0.107 0.000 1.026 5 V CA -0.654 61.691 62.300 0.076 0.000 0.868 5 V CB 0.885 32.738 31.823 0.050 0.000 0.982 5 V HN 0.938 nan 8.190 nan 0.000 0.443 6 L N 3.323 124.623 121.223 0.128 0.000 2.123 6 L HA -0.294 4.046 4.340 -0.000 0.000 0.217 6 L C 2.782 179.769 176.870 0.194 0.000 1.081 6 L CA 2.281 57.243 54.840 0.203 0.000 0.772 6 L CB -0.830 41.225 42.059 -0.008 0.000 0.890 6 L HN 0.898 nan 8.230 nan 0.000 0.437 7 A N -0.507 122.367 122.820 0.091 0.000 2.131 7 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 7 A C 2.501 180.138 177.584 0.088 0.000 1.158 7 A CA 1.896 53.976 52.037 0.072 0.000 0.665 7 A CB -0.490 18.531 19.000 0.035 0.000 0.795 7 A HN 0.489 nan 8.150 nan 0.000 0.460 8 R N -0.931 119.626 120.500 0.095 0.000 2.191 8 R HA 0.125 4.465 4.340 -0.000 0.000 0.196 8 R C 2.017 178.353 176.300 0.059 0.000 0.991 8 R CA 0.746 56.881 56.100 0.058 0.000 1.075 8 R CB -0.182 30.131 30.300 0.021 0.000 1.040 8 R HN 0.385 nan 8.270 nan 0.000 0.526 9 K N -0.398 120.066 120.400 0.107 0.000 2.362 9 K HA -0.115 4.205 4.320 -0.000 0.000 0.200 9 K C 0.125 176.647 176.600 -0.130 0.000 1.046 9 K CA 1.095 57.386 56.287 0.007 0.000 0.952 9 K CB 0.139 32.683 32.500 0.072 0.000 0.753 9 K HN 0.212 nan 8.250 nan 0.000 0.466 10 W N 1.058 122.349 121.300 -0.015 0.000 2.846 10 W HA 0.304 4.964 4.660 -0.000 0.000 0.391 10 W C -0.204 176.308 176.519 -0.012 0.000 1.011 10 W CA -0.755 56.585 57.345 -0.008 0.000 1.832 10 W CB 0.317 29.776 29.460 -0.002 0.000 1.151 10 W HN -0.173 nan 8.180 nan 0.000 0.582 11 R N 2.638 123.219 120.500 0.134 0.000 2.483 11 R HA 0.055 4.395 4.340 -0.000 0.000 0.329 11 R C -2.127 174.200 176.300 0.045 0.000 0.961 11 R CA -1.217 54.926 56.100 0.072 0.000 1.041 11 R CB 0.133 30.452 30.300 0.031 0.000 0.930 11 R HN -0.221 nan 8.270 nan 0.000 0.413 12 P HA -0.140 nan 4.420 nan 0.000 0.257 12 P C -0.322 176.985 177.300 0.012 0.000 1.153 12 P CA 0.478 63.601 63.100 0.039 0.000 0.762 12 P CB 0.670 32.390 31.700 0.034 0.000 0.743 13 Q N 0.789 120.587 119.800 -0.003 0.000 2.396 13 Q HA 0.100 4.440 4.340 -0.000 0.000 0.220 13 Q C 0.448 176.433 176.000 -0.026 0.000 0.900 13 Q CA 1.141 56.927 55.803 -0.029 0.000 0.925 13 Q CB 0.387 29.094 28.738 -0.052 0.000 1.065 13 Q HN 0.431 nan 8.270 nan 0.000 0.535 14 T N -0.048 114.510 114.554 0.007 0.000 2.930 14 T HA 0.329 4.679 4.350 -0.000 0.000 0.290 14 T C 0.312 175.103 174.700 0.151 0.000 1.052 14 T CA -0.640 61.474 62.100 0.024 0.000 1.017 14 T CB 0.907 69.779 68.868 0.007 0.000 1.137 14 T HN -0.158 nan 8.240 nan 0.000 0.511 15 F N 1.109 121.016 119.950 -0.071 0.000 2.451 15 F HA 0.086 4.613 4.527 -0.000 0.000 0.299 15 F C 2.374 178.131 175.800 -0.072 0.000 1.101 15 F CA 0.214 58.164 58.000 -0.084 0.000 1.436 15 F CB -1.035 37.912 39.000 -0.088 0.000 1.074 15 F HN 0.719 nan 8.300 nan 0.000 0.553 16 A N -0.507 122.391 122.820 0.129 0.000 1.975 16 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 16 A C 1.953 179.552 177.584 0.026 0.000 1.170 16 A CA 1.282 53.348 52.037 0.048 0.000 0.656 16 A CB -0.469 18.553 19.000 0.036 0.000 0.821 16 A HN 0.170 nan 8.150 nan 0.000 0.449 17 D N 0.074 120.500 120.400 0.043 0.000 2.219 17 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 17 D C 0.825 177.147 176.300 0.036 0.000 0.970 17 D CA 0.480 54.510 54.000 0.049 0.000 0.851 17 D CB -0.395 40.440 40.800 0.057 0.000 0.943 17 D HN 0.206 nan 8.370 nan 0.000 0.488 18 V N 1.245 121.160 119.914 0.002 0.000 2.963 18 V HA 0.027 4.147 4.120 -0.000 0.000 0.306 18 V C 0.706 176.768 176.094 -0.053 0.000 1.077 18 V CA -0.316 61.961 62.300 -0.039 0.000 1.124 18 V CB 1.669 33.428 31.823 -0.107 0.000 0.987 18 V HN -0.173 nan 8.190 nan 0.000 0.487 19 V N 2.746 122.627 119.914 -0.056 0.000 2.532 19 V HA 0.626 4.746 4.120 -0.000 0.000 0.295 19 V C 1.428 177.473 176.094 -0.082 0.000 1.041 19 V CA 0.408 62.672 62.300 -0.060 0.000 0.926 19 V CB 0.634 32.433 31.823 -0.040 0.000 0.992 19 V HN 1.151 nan 8.190 nan 0.000 0.457 20 G N 2.985 111.731 108.800 -0.089 0.000 2.524 20 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.252 20 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.252 20 G C 0.605 175.439 174.900 -0.110 0.000 0.990 20 G CA 1.069 46.111 45.100 -0.097 0.000 0.653 20 G HN 0.776 nan 8.290 nan 0.000 0.576 21 Q N 0.735 120.462 119.800 -0.121 0.000 3.170 21 Q HA 0.303 4.643 4.340 -0.000 0.000 0.346 21 Q C 1.481 177.373 176.000 -0.180 0.000 1.333 21 Q CA 0.020 55.749 55.803 -0.123 0.000 0.958 21 Q CB 0.036 28.704 28.738 -0.116 0.000 1.600 21 Q HN 0.733 nan 8.270 nan 0.000 0.482 22 E N 0.361 120.427 120.200 -0.223 0.000 2.068 22 E HA -0.260 4.090 4.350 -0.000 0.000 0.207 22 E C 1.229 177.649 176.600 -0.299 0.000 1.032 22 E CA 1.310 57.521 56.400 -0.315 0.000 0.839 22 E CB -0.074 29.339 29.700 -0.477 0.000 0.758 22 E HN 0.601 nan 8.360 nan 0.000 0.457 23 H N -0.454 118.570 119.070 -0.077 0.000 2.518 23 H HA -0.034 4.522 4.556 -0.000 0.000 0.289 23 H C 1.954 177.221 175.328 -0.102 0.000 1.051 23 H CA 0.814 56.829 56.048 -0.054 0.000 1.280 23 H CB 0.092 29.853 29.762 -0.002 0.000 1.380 23 H HN 0.058 nan 8.280 nan 0.000 0.566 24 V N 0.383 120.227 119.914 -0.116 0.000 3.307 24 V HA -0.047 4.073 4.120 -0.000 0.000 0.253 24 V C 2.417 178.223 176.094 -0.480 0.000 1.149 24 V CA 0.412 62.497 62.300 -0.359 0.000 1.112 24 V CB 0.072 31.700 31.823 -0.325 0.000 0.777 24 V HN 0.221 nan 8.190 nan 0.000 0.464 25 L N -0.397 120.587 121.223 -0.399 0.000 2.127 25 L HA -0.061 4.279 4.340 -0.000 0.000 0.203 25 L C 2.610 179.297 176.870 -0.305 0.000 1.080 25 L CA 1.529 56.053 54.840 -0.526 0.000 0.768 25 L CB -0.964 40.813 42.059 -0.469 0.000 0.924 25 L HN 0.290 nan 8.230 nan 0.000 0.444 26 T N 0.426 114.879 114.554 -0.168 0.000 2.684 26 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 26 T C 2.060 176.752 174.700 -0.013 0.000 1.036 26 T CA 1.457 63.528 62.100 -0.048 0.000 1.148 26 T CB -0.309 68.568 68.868 0.016 0.000 0.863 26 T HN 0.425 nan 8.240 nan 0.000 0.436 27 A N 1.388 124.184 122.820 -0.040 0.000 1.892 27 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 27 A C 2.301 179.899 177.584 0.023 0.000 1.188 27 A CA 1.420 53.473 52.037 0.027 0.000 0.631 27 A CB -0.939 18.073 19.000 0.021 0.000 0.822 27 A HN 0.500 nan 8.150 nan 0.000 0.447 28 L N -1.061 120.096 121.223 -0.110 0.000 2.291 28 L HA -0.107 4.233 4.340 -0.000 0.000 0.214 28 L C 2.979 179.947 176.870 0.163 0.000 1.120 28 L CA 0.614 55.455 54.840 0.002 0.000 0.799 28 L CB -0.501 41.509 42.059 -0.083 0.000 0.925 28 L HN 0.477 nan 8.230 nan 0.000 0.446 29 A N 0.370 123.276 122.820 0.142 0.000 1.855 29 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 29 A C 2.051 179.702 177.584 0.111 0.000 1.191 29 A CA 1.757 53.897 52.037 0.171 0.000 0.613 29 A CB -0.523 18.554 19.000 0.128 0.000 0.829 29 A HN 0.351 nan 8.150 nan 0.000 0.442 30 N N 0.188 118.947 118.700 0.097 0.000 2.007 30 N HA -0.142 4.598 4.740 -0.000 0.000 0.197 30 N C 1.853 177.426 175.510 0.105 0.000 1.050 30 N CA 1.926 55.033 53.050 0.095 0.000 0.856 30 N CB -0.968 37.580 38.487 0.101 0.000 1.050 30 N HN 0.420 nan 8.380 nan 0.000 0.423 31 G N 0.489 109.371 108.800 0.136 0.000 2.450 31 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.220 31 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.220 31 G C 1.498 176.468 174.900 0.116 0.000 1.130 31 G CA 0.435 45.628 45.100 0.155 0.000 0.760 31 G HN 0.302 nan 8.290 nan 0.000 0.557 32 L N 0.613 121.891 121.223 0.092 0.000 2.478 32 L HA 0.070 4.410 4.340 -0.000 0.000 0.223 32 L C 2.651 179.545 176.870 0.040 0.000 1.140 32 L CA 0.394 55.262 54.840 0.047 0.000 0.842 32 L CB 0.153 42.215 42.059 0.006 0.000 0.953 32 L HN 0.196 nan 8.230 nan 0.000 0.452 33 S N -0.442 115.290 115.700 0.054 0.000 2.444 33 S HA 0.111 4.581 4.470 -0.000 0.000 0.223 33 S C 1.680 176.311 174.600 0.052 0.000 1.054 33 S CA 0.265 58.491 58.200 0.044 0.000 0.947 33 S CB 0.060 63.287 63.200 0.045 0.000 0.850 33 S HN 0.246 nan 8.310 nan 0.000 0.527 34 L N 1.408 122.669 121.223 0.064 0.000 2.552 34 L HA 0.192 4.532 4.340 -0.000 0.000 0.227 34 L C 1.581 178.493 176.870 0.070 0.000 1.146 34 L CA 0.525 55.403 54.840 0.064 0.000 0.858 34 L CB -1.004 41.098 42.059 0.071 0.000 0.969 34 L HN 0.562 nan 8.230 nan 0.000 0.451 35 G N 1.327 110.174 108.800 0.078 0.000 2.176 35 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.252 35 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.252 35 G C 0.332 175.283 174.900 0.085 0.000 1.024 35 G CA -0.104 45.048 45.100 0.086 0.000 0.755 35 G HN 0.447 nan 8.290 nan 0.000 0.507 36 R N -0.032 120.530 120.500 0.102 0.000 3.657 36 R HA 0.392 4.732 4.340 -0.000 0.000 0.220 36 R C 0.487 176.887 176.300 0.166 0.000 1.548 36 R CA -0.388 55.778 56.100 0.109 0.000 1.465 36 R CB 0.355 30.744 30.300 0.148 0.000 1.330 36 R HN 0.512 nan 8.270 nan 0.000 0.707 37 I N 2.319 122.932 120.570 0.072 0.000 2.325 37 I HA 0.113 4.283 4.170 -0.000 0.000 0.291 37 I C 0.118 176.150 176.117 -0.141 0.000 1.019 37 I CA -0.457 60.883 61.300 0.067 0.000 1.302 37 I CB 0.377 38.348 38.000 -0.049 0.000 1.401 37 I HN 0.451 nan 8.210 nan 0.000 0.485 38 H N 6.812 125.716 119.070 -0.276 0.000 2.525 38 H HA 0.198 4.754 4.556 -0.000 0.000 0.339 38 H C 0.454 175.496 175.328 -0.476 0.000 1.109 38 H CA -0.439 55.334 56.048 -0.459 0.000 1.352 38 H CB 1.149 30.537 29.762 -0.625 0.000 1.461 38 H HN 0.665 nan 8.280 nan 0.000 0.533 39 H N 0.898 119.925 119.070 -0.072 0.000 2.521 39 H HA 0.090 4.646 4.556 -0.000 0.000 0.286 39 H C 0.267 175.633 175.328 0.063 0.000 1.034 39 H CA 0.698 56.753 56.048 0.012 0.000 1.278 39 H CB 0.463 30.244 29.762 0.033 0.000 1.386 39 H HN 0.498 nan 8.280 nan 0.000 0.567 40 A N 0.397 123.220 122.820 0.005 0.000 2.429 40 A HA 0.488 4.808 4.320 -0.000 0.000 0.289 40 A C -1.747 175.697 177.584 -0.234 0.000 1.043 40 A CA -0.556 51.484 52.037 0.004 0.000 0.722 40 A CB 0.900 19.902 19.000 0.004 0.000 1.243 40 A HN 0.163 nan 8.150 nan 0.000 0.415 41 Y N 1.790 122.069 120.300 -0.035 0.000 2.328 41 Y HA 0.524 5.074 4.550 -0.000 0.000 0.333 41 Y C -0.206 175.439 175.900 -0.425 0.000 0.958 41 Y CA -0.571 57.378 58.100 -0.253 0.000 1.167 41 Y CB 2.032 40.345 38.460 -0.246 0.000 1.151 41 Y HN 0.676 nan 8.280 nan 0.000 0.470 42 L N 5.118 126.164 121.223 -0.295 0.000 2.272 42 L HA 0.556 4.896 4.340 -0.000 0.000 0.289 42 L C -1.706 174.972 176.870 -0.321 0.000 1.032 42 L CA -0.246 54.443 54.840 -0.252 0.000 0.810 42 L CB 0.050 42.019 42.059 -0.151 0.000 1.205 42 L HN 0.354 nan 8.230 nan 0.000 0.422 43 F N 3.873 123.887 119.950 0.105 0.000 2.375 43 F HA 0.523 5.050 4.527 -0.000 0.000 0.361 43 F C 0.507 176.291 175.800 -0.028 0.000 1.117 43 F CA -0.522 57.521 58.000 0.072 0.000 1.037 43 F CB 1.428 40.465 39.000 0.063 0.000 1.192 43 F HN 0.532 nan 8.300 nan 0.000 0.452 44 S N 1.725 117.446 115.700 0.035 0.000 2.681 44 S HA 1.009 5.479 4.470 -0.000 0.000 0.299 44 S C -0.098 174.305 174.600 -0.328 0.000 1.113 44 S CA -0.309 57.777 58.200 -0.189 0.000 1.013 44 S CB 2.007 65.005 63.200 -0.337 0.000 1.076 44 S HN 1.349 nan 8.310 nan 0.000 0.534 45 G N 0.457 109.088 108.800 -0.282 0.000 2.326 45 G HA2 0.314 4.274 3.960 -0.000 0.000 0.413 45 G HA3 0.314 4.274 3.960 -0.000 0.000 0.413 45 G C -0.510 174.375 174.900 -0.025 0.000 1.444 45 G CA -0.500 44.518 45.100 -0.136 0.000 1.002 45 G HN 0.994 nan 8.290 nan 0.000 0.649 46 T N 0.112 114.682 114.554 0.028 0.000 2.716 46 T HA 0.382 4.732 4.350 -0.000 0.000 0.335 46 T C 1.143 175.856 174.700 0.021 0.000 1.081 46 T CA 0.734 62.852 62.100 0.029 0.000 1.073 46 T CB 0.284 69.174 68.868 0.037 0.000 0.993 46 T HN 1.069 nan 8.240 nan 0.000 0.547 47 R N -0.257 120.259 120.500 0.026 0.000 2.582 47 R HA 0.519 4.859 4.340 -0.000 0.000 0.271 47 R C 1.202 177.512 176.300 0.016 0.000 1.078 47 R CA 0.367 56.482 56.100 0.025 0.000 1.127 47 R CB -0.026 30.293 30.300 0.032 0.000 1.038 47 R HN 0.884 nan 8.270 nan 0.000 0.500 48 G N 0.548 109.354 108.800 0.010 0.000 2.308 48 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.221 48 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.221 48 G C -0.185 174.711 174.900 -0.006 0.000 1.032 48 G CA -0.047 45.055 45.100 0.003 0.000 0.623 48 G HN 0.588 nan 8.290 nan 0.000 0.506 49 V N 1.871 121.782 119.914 -0.006 0.000 2.775 49 V HA 0.534 4.654 4.120 -0.000 0.000 0.299 49 V C 1.727 177.799 176.094 -0.037 0.000 1.062 49 V CA 0.536 62.825 62.300 -0.018 0.000 1.063 49 V CB 1.529 33.347 31.823 -0.007 0.000 0.994 49 V HN 0.922 nan 8.190 nan 0.000 0.483 50 G N 2.795 111.557 108.800 -0.063 0.000 3.180 50 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.246 50 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.246 50 G C 0.928 175.741 174.900 -0.145 0.000 0.939 50 G CA -0.163 44.882 45.100 -0.092 0.000 1.920 50 G HN 0.857 nan 8.290 nan 0.000 0.612 51 K N -0.008 120.330 120.400 -0.103 0.000 2.001 51 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 51 K C 2.939 179.453 176.600 -0.142 0.000 1.048 51 K CA 1.795 58.009 56.287 -0.122 0.000 0.932 51 K CB -0.276 32.229 32.500 0.008 0.000 0.715 51 K HN 0.472 nan 8.250 nan 0.000 0.437 52 T N -0.948 113.576 114.554 -0.051 0.000 2.737 52 T HA -0.136 4.214 4.350 -0.000 0.000 0.265 52 T C 2.245 176.907 174.700 -0.065 0.000 1.038 52 T CA 1.705 63.792 62.100 -0.021 0.000 1.144 52 T CB -0.389 68.488 68.868 0.015 0.000 0.866 52 T HN 0.104 nan 8.240 nan 0.000 0.434 53 S N 0.967 116.622 115.700 -0.075 0.000 2.365 53 S HA -0.058 4.412 4.470 -0.000 0.000 0.225 53 S C 2.020 176.553 174.600 -0.112 0.000 1.039 53 S CA 1.557 59.714 58.200 -0.073 0.000 1.033 53 S CB -0.699 62.464 63.200 -0.062 0.000 0.887 53 S HN 0.620 nan 8.310 nan 0.000 0.447 54 I N 1.206 121.644 120.570 -0.219 0.000 2.676 54 I HA -0.049 4.121 4.170 -0.000 0.000 0.259 54 I C 2.590 178.517 176.117 -0.316 0.000 1.194 54 I CA 0.775 61.890 61.300 -0.309 0.000 1.473 54 I CB -0.441 37.245 38.000 -0.524 0.000 1.096 54 I HN 0.365 nan 8.210 nan 0.000 0.443 55 A N 0.973 123.604 122.820 -0.315 0.000 1.969 55 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 55 A C 2.382 179.955 177.584 -0.018 0.000 1.169 55 A CA 1.117 53.074 52.037 -0.133 0.000 0.635 55 A CB -0.377 18.636 19.000 0.022 0.000 0.810 55 A HN 0.287 nan 8.150 nan 0.000 0.445 56 R N -0.422 120.060 120.500 -0.030 0.000 2.066 56 R HA 0.028 4.368 4.340 -0.000 0.000 0.232 56 R C 1.760 178.043 176.300 -0.028 0.000 1.131 56 R CA 1.369 57.456 56.100 -0.021 0.000 0.955 56 R CB -0.468 29.817 30.300 -0.025 0.000 0.851 56 R HN 0.488 nan 8.270 nan 0.000 0.432 57 L N 0.989 122.223 121.223 0.018 0.000 2.549 57 L HA -0.131 4.209 4.340 -0.000 0.000 0.230 57 L C 2.076 178.909 176.870 -0.061 0.000 1.162 57 L CA 0.256 55.112 54.840 0.027 0.000 0.834 57 L CB -0.272 41.946 42.059 0.265 0.000 0.947 57 L HN 0.213 nan 8.230 nan 0.000 0.452 58 L N 0.069 121.312 121.223 0.035 0.000 2.130 58 L HA 0.108 4.448 4.340 -0.000 0.000 0.200 58 L C 2.578 179.397 176.870 -0.085 0.000 1.075 58 L CA 1.640 56.479 54.840 -0.002 0.000 0.768 58 L CB -0.457 41.624 42.059 0.037 0.000 0.933 58 L HN 0.051 nan 8.230 nan 0.000 0.451 59 A N -0.874 121.914 122.820 -0.054 0.000 2.121 59 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 59 A C 2.312 179.821 177.584 -0.126 0.000 1.154 59 A CA 1.516 53.516 52.037 -0.062 0.000 0.679 59 A CB -0.591 18.396 19.000 -0.023 0.000 0.795 59 A HN 0.465 nan 8.150 nan 0.000 0.458 60 K N -0.962 119.345 120.400 -0.154 0.000 2.365 60 K HA 0.006 4.326 4.320 -0.000 0.000 0.197 60 K C 1.495 177.975 176.600 -0.201 0.000 1.042 60 K CA 0.818 56.988 56.287 -0.195 0.000 0.987 60 K CB -0.108 32.283 32.500 -0.182 0.000 0.779 60 K HN 0.424 nan 8.250 nan 0.000 0.484 61 G N -0.357 108.319 108.800 -0.207 0.000 3.062 61 G HA2 0.066 4.026 3.960 -0.000 0.000 0.228 61 G HA3 0.066 4.026 3.960 -0.000 0.000 0.228 61 G C 1.092 175.937 174.900 -0.091 0.000 1.094 61 G CA -0.295 44.688 45.100 -0.194 0.000 0.782 61 G HN 0.064 nan 8.290 nan 0.000 0.541 62 L N 0.171 121.359 121.223 -0.059 0.000 2.145 62 L HA 0.131 4.471 4.340 -0.000 0.000 0.201 62 L C 1.992 179.018 176.870 0.261 0.000 1.075 62 L CA 0.661 55.533 54.840 0.053 0.000 0.773 62 L CB 0.018 42.025 42.059 -0.085 0.000 0.936 62 L HN 0.080 nan 8.230 nan 0.000 0.451 63 N N -0.948 117.824 118.700 0.121 0.000 2.325 63 N HA -0.007 4.733 4.740 -0.000 0.000 0.182 63 N C 0.511 176.018 175.510 -0.005 0.000 1.088 63 N CA 0.018 53.127 53.050 0.098 0.000 0.879 63 N CB -0.159 38.352 38.487 0.039 0.000 0.983 63 N HN 0.197 nan 8.380 nan 0.000 0.471 64 C N 2.284 121.551 119.300 -0.056 0.000 2.502 64 C HA -0.048 4.412 4.460 -0.000 0.000 0.404 64 C C 1.876 176.850 174.990 -0.028 0.000 1.409 64 C CA 0.010 58.985 59.018 -0.072 0.000 1.648 64 C CB -0.245 27.442 27.740 -0.088 0.000 2.571 64 C HN 0.461 nan 8.230 nan 0.000 0.601 65 E N 1.713 121.896 120.200 -0.028 0.000 2.268 65 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 65 E C 1.823 178.415 176.600 -0.013 0.000 0.995 65 E CA 1.510 57.904 56.400 -0.010 0.000 0.836 65 E CB 0.033 29.729 29.700 -0.007 0.000 0.763 65 E HN 0.864 nan 8.360 nan 0.000 0.491 66 T N 0.267 114.807 114.554 -0.024 0.000 3.113 66 T HA 0.131 4.481 4.350 -0.000 0.000 0.263 66 T C 0.567 175.258 174.700 -0.014 0.000 1.143 66 T CA 0.618 62.704 62.100 -0.023 0.000 1.090 66 T CB 0.102 68.948 68.868 -0.036 0.000 0.922 66 T HN 0.425 nan 8.240 nan 0.000 0.521 67 G N 0.983 109.779 108.800 -0.005 0.000 2.479 67 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.686 67 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.686 67 G C -0.772 174.139 174.900 0.019 0.000 1.295 67 G CA -1.184 43.923 45.100 0.012 0.000 0.922 67 G HN 0.318 nan 8.290 nan 0.000 0.582 68 I N 2.177 122.779 120.570 0.053 0.000 2.576 68 I HA 0.231 4.401 4.170 -0.000 0.000 0.288 68 I C 0.753 176.873 176.117 0.005 0.000 1.126 68 I CA 0.525 61.863 61.300 0.063 0.000 1.362 68 I CB -0.269 37.806 38.000 0.125 0.000 1.419 68 I HN 0.532 nan 8.210 nan 0.000 0.533 69 T N 3.715 118.241 114.554 -0.047 0.000 2.907 69 T HA 0.512 4.862 4.350 -0.000 0.000 0.292 69 T C 0.683 175.285 174.700 -0.164 0.000 1.043 69 T CA -0.669 61.380 62.100 -0.084 0.000 1.003 69 T CB 2.213 71.026 68.868 -0.092 0.000 1.084 69 T HN 0.550 nan 8.240 nan 0.000 0.483 70 A N 0.663 123.393 122.820 -0.151 0.000 2.220 70 A HA 0.342 4.662 4.320 -0.000 0.000 0.211 70 A C 0.982 178.390 177.584 -0.293 0.000 1.176 70 A CA 0.161 52.059 52.037 -0.230 0.000 0.834 70 A CB 0.002 18.979 19.000 -0.039 0.000 0.868 70 A HN 0.716 nan 8.150 nan 0.000 0.488 71 T N 2.576 117.017 114.554 -0.189 0.000 3.331 71 T HA 0.424 4.774 4.350 -0.000 0.000 0.381 71 T C -2.890 171.720 174.700 -0.149 0.000 1.656 71 T CA -1.039 60.971 62.100 -0.149 0.000 1.453 71 T CB 0.964 69.787 68.868 -0.076 0.000 1.066 71 T HN 0.087 nan 8.240 nan 0.000 0.655 72 P HA 0.239 nan 4.420 nan 0.000 0.272 72 P C 0.087 177.318 177.300 -0.116 0.000 1.223 72 P CA -0.681 62.322 63.100 -0.161 0.000 0.784 72 P CB 0.331 31.910 31.700 -0.203 0.000 0.923 73 C N 0.448 119.691 119.300 -0.094 0.000 2.325 73 C HA 0.613 5.073 4.460 -0.000 0.000 0.347 73 C C 1.768 176.711 174.990 -0.078 0.000 1.263 73 C CA -0.083 58.890 59.018 -0.074 0.000 1.806 73 C CB -0.023 27.682 27.740 -0.059 0.000 2.405 73 C HN 0.764 nan 8.230 nan 0.000 0.537 74 G N 2.258 111.014 108.800 -0.072 0.000 2.708 74 G HA2 0.080 4.040 3.960 -0.000 0.000 0.210 74 G HA3 0.080 4.040 3.960 -0.000 0.000 0.210 74 G C 0.962 175.824 174.900 -0.064 0.000 1.141 74 G CA 1.132 46.188 45.100 -0.073 0.000 0.788 74 G HN 1.361 nan 8.290 nan 0.000 0.531 75 V N -1.361 118.520 119.914 -0.056 0.000 3.085 75 V HA 0.129 4.249 4.120 -0.000 0.000 0.245 75 V C 1.856 177.926 176.094 -0.040 0.000 1.114 75 V CA -0.186 62.087 62.300 -0.045 0.000 1.108 75 V CB -1.150 30.651 31.823 -0.037 0.000 0.798 75 V HN 0.405 nan 8.190 nan 0.000 0.471 76 C N 2.221 121.494 119.300 -0.044 0.000 2.611 76 C HA 0.101 4.561 4.460 -0.000 0.000 0.416 76 C C 1.740 176.708 174.990 -0.037 0.000 1.366 76 C CA 0.280 59.276 59.018 -0.037 0.000 1.761 76 C CB -0.534 27.181 27.740 -0.041 0.000 2.619 76 C HN 0.639 nan 8.230 nan 0.000 0.606 77 D N 2.717 123.110 120.400 -0.013 0.000 2.244 77 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 77 D C 1.569 177.872 176.300 0.004 0.000 1.006 77 D CA 2.011 56.016 54.000 0.008 0.000 0.888 77 D CB -0.051 40.771 40.800 0.036 0.000 0.912 77 D HN 0.748 nan 8.370 nan 0.000 0.452 78 N N 0.155 118.833 118.700 -0.037 0.000 2.142 78 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 78 N C 2.050 177.394 175.510 -0.278 0.000 1.023 78 N CA 0.515 53.456 53.050 -0.181 0.000 0.852 78 N CB -0.764 37.601 38.487 -0.203 0.000 0.998 78 N HN 0.248 nan 8.380 nan 0.000 0.424 79 C N 1.053 120.247 119.300 -0.178 0.000 2.432 79 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 79 C C 2.697 177.613 174.990 -0.124 0.000 1.249 79 C CA 0.405 59.327 59.018 -0.161 0.000 1.725 79 C CB -0.821 26.847 27.740 -0.120 0.000 2.028 79 C HN 0.473 nan 8.230 nan 0.000 0.477 80 R N 0.751 121.201 120.500 -0.083 0.000 2.073 80 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 80 R C 2.089 178.366 176.300 -0.040 0.000 1.134 80 R CA 1.470 57.538 56.100 -0.055 0.000 0.952 80 R CB -0.393 29.886 30.300 -0.035 0.000 0.850 80 R HN 0.655 nan 8.270 nan 0.000 0.433 81 E N 0.404 120.593 120.200 -0.019 0.000 2.204 81 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 81 E C 1.938 178.549 176.600 0.018 0.000 0.990 81 E CA 0.903 57.330 56.400 0.045 0.000 0.821 81 E CB -0.049 29.761 29.700 0.183 0.000 0.750 81 E HN 0.387 nan 8.360 nan 0.000 0.477 82 I N 0.689 121.196 120.570 -0.105 0.000 2.286 82 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 82 I C 2.313 178.395 176.117 -0.058 0.000 1.104 82 I CA 0.826 62.054 61.300 -0.121 0.000 1.397 82 I CB 0.052 37.903 38.000 -0.248 0.000 1.072 82 I HN -0.021 nan 8.210 nan 0.000 0.417 83 E N 1.005 121.167 120.200 -0.063 0.000 2.478 83 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 83 E C 1.323 177.908 176.600 -0.025 0.000 1.046 83 E CA 0.839 57.212 56.400 -0.044 0.000 0.870 83 E CB 0.045 29.713 29.700 -0.053 0.000 0.818 83 E HN 0.479 nan 8.360 nan 0.000 0.527 84 Q N -1.532 118.261 119.800 -0.013 0.000 2.172 84 Q HA 0.264 4.604 4.340 -0.000 0.000 0.217 84 Q C 0.983 176.992 176.000 0.015 0.000 0.832 84 Q CA 0.206 56.008 55.803 -0.001 0.000 1.010 84 Q CB 1.053 29.791 28.738 0.000 0.000 1.133 84 Q HN 0.333 nan 8.270 nan 0.000 0.489 85 G N 2.257 111.068 108.800 0.019 0.000 2.480 85 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.246 85 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.246 85 G C 0.465 175.398 174.900 0.055 0.000 1.073 85 G CA 0.135 45.254 45.100 0.032 0.000 0.643 85 G HN 0.318 nan 8.290 nan 0.000 0.525 86 R N 0.019 120.557 120.500 0.063 0.000 2.235 86 R HA 0.592 4.932 4.340 -0.000 0.000 0.338 86 R C -1.198 175.207 176.300 0.176 0.000 1.087 86 R CA -0.352 55.798 56.100 0.083 0.000 0.948 86 R CB 0.352 30.683 30.300 0.052 0.000 1.099 86 R HN 0.185 nan 8.270 nan 0.000 0.483 87 F N 2.070 122.003 119.950 -0.028 0.000 2.591 87 F HA 0.168 4.694 4.527 -0.000 0.000 0.309 87 F C 0.882 176.657 175.800 -0.042 0.000 1.098 87 F CA -1.124 56.856 58.000 -0.032 0.000 0.937 87 F CB 1.347 40.328 39.000 -0.031 0.000 1.250 87 F HN 0.110 nan 8.300 nan 0.000 0.447 88 V N 2.764 122.197 119.914 -0.801 0.000 2.250 88 V HA -0.301 3.819 4.120 -0.000 0.000 0.250 88 V C 1.444 177.245 176.094 -0.488 0.000 1.060 88 V CA 2.622 64.562 62.300 -0.600 0.000 1.030 88 V CB -0.382 31.058 31.823 -0.638 0.000 0.643 88 V HN 0.742 nan 8.190 nan 0.000 0.445 89 D N -0.636 119.373 120.400 -0.652 0.000 2.305 89 D HA 0.077 4.717 4.640 -0.000 0.000 0.206 89 D C 0.959 177.189 176.300 -0.117 0.000 0.974 89 D CA 0.095 53.939 54.000 -0.260 0.000 0.871 89 D CB 0.096 40.840 40.800 -0.093 0.000 0.947 89 D HN 0.327 nan 8.370 nan 0.000 0.516 90 L N 2.384 123.668 121.223 0.102 0.000 2.462 90 L HA 0.192 4.532 4.340 -0.000 0.000 0.283 90 L C -0.326 176.514 176.870 -0.050 0.000 1.166 90 L CA 0.022 54.908 54.840 0.077 0.000 0.964 90 L CB -0.608 41.581 42.059 0.217 0.000 1.294 90 L HN -0.131 nan 8.230 nan 0.000 0.449 91 I N 4.679 125.122 120.570 -0.213 0.000 2.308 91 I HA 0.150 4.320 4.170 -0.000 0.000 0.293 91 I C 0.161 176.263 176.117 -0.023 0.000 1.078 91 I CA -0.173 61.024 61.300 -0.171 0.000 1.292 91 I CB 0.311 38.099 38.000 -0.353 0.000 1.423 91 I HN 0.530 nan 8.210 nan 0.000 0.493 92 E N 7.782 127.999 120.200 0.029 0.000 2.046 92 E HA 0.455 4.805 4.350 -0.000 0.000 0.279 92 E C -0.672 175.980 176.600 0.087 0.000 0.989 92 E CA -0.299 56.144 56.400 0.071 0.000 0.798 92 E CB 1.356 31.091 29.700 0.059 0.000 1.086 92 E HN 0.511 nan 8.360 nan 0.000 0.399 93 I N 2.246 122.890 120.570 0.122 0.000 2.354 93 I HA 0.150 4.320 4.170 -0.000 0.000 0.292 93 I C -0.144 176.037 176.117 0.107 0.000 0.989 93 I CA -0.714 60.657 61.300 0.119 0.000 1.188 93 I CB 1.372 39.464 38.000 0.153 0.000 1.342 93 I HN 0.361 nan 8.210 nan 0.000 0.457 94 D N 5.573 126.024 120.400 0.085 0.000 2.499 94 D HA 0.344 4.984 4.640 -0.000 0.000 0.225 94 D C 1.079 177.421 176.300 0.070 0.000 1.124 94 D CA -0.288 53.758 54.000 0.077 0.000 0.938 94 D CB 1.407 42.244 40.800 0.062 0.000 1.014 94 D HN 0.643 nan 8.370 nan 0.000 0.517 95 A N 3.106 125.973 122.820 0.078 0.000 2.104 95 A HA -0.203 4.117 4.320 -0.000 0.000 0.223 95 A C 1.968 179.577 177.584 0.041 0.000 1.164 95 A CA 1.985 54.062 52.037 0.066 0.000 0.659 95 A CB -0.260 18.784 19.000 0.074 0.000 0.808 95 A HN 0.553 nan 8.150 nan 0.000 0.465 96 A N -1.011 121.832 122.820 0.040 0.000 2.208 96 A HA 0.328 4.648 4.320 -0.000 0.000 0.209 96 A C 1.358 178.958 177.584 0.026 0.000 1.161 96 A CA 0.788 52.839 52.037 0.023 0.000 0.782 96 A CB -0.370 18.649 19.000 0.032 0.000 0.816 96 A HN 0.480 nan 8.150 nan 0.000 0.477 97 S N -0.419 115.302 115.700 0.034 0.000 2.499 97 S HA 0.289 4.759 4.470 -0.000 0.000 0.275 97 S C 1.086 175.704 174.600 0.028 0.000 1.257 97 S CA -0.555 57.664 58.200 0.032 0.000 1.050 97 S CB 0.425 63.647 63.200 0.036 0.000 0.937 97 S HN 0.514 nan 8.310 nan 0.000 0.490 98 R N 2.497 123.011 120.500 0.023 0.000 2.189 98 R HA -0.014 4.326 4.340 -0.000 0.000 0.218 98 R C 1.577 177.891 176.300 0.022 0.000 1.074 98 R CA 1.499 57.611 56.100 0.021 0.000 0.991 98 R CB -0.192 30.119 30.300 0.017 0.000 0.883 98 R HN 0.626 nan 8.270 nan 0.000 0.457 99 T N 0.303 114.870 114.554 0.023 0.000 3.035 99 T HA 0.038 4.388 4.350 -0.000 0.000 0.259 99 T C 1.000 175.715 174.700 0.025 0.000 1.078 99 T CA 0.782 62.895 62.100 0.022 0.000 1.132 99 T CB 0.212 69.092 68.868 0.020 0.000 0.900 99 T HN 0.147 nan 8.240 nan 0.000 0.480 100 K N 2.130 122.548 120.400 0.030 0.000 2.675 100 K HA 0.236 4.556 4.320 -0.000 0.000 0.213 100 K C 1.598 178.222 176.600 0.040 0.000 1.074 100 K CA -0.077 56.231 56.287 0.035 0.000 1.172 100 K CB 0.263 32.788 32.500 0.041 0.000 0.927 100 K HN 0.216 nan 8.250 nan 0.000 0.471 101 V N -1.490 118.445 119.914 0.035 0.000 2.407 101 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 101 V C 2.138 178.255 176.094 0.038 0.000 1.055 101 V CA 1.667 63.991 62.300 0.040 0.000 1.049 101 V CB -0.486 31.358 31.823 0.034 0.000 0.662 101 V HN 0.394 nan 8.190 nan 0.000 0.455 102 E N 0.480 120.697 120.200 0.028 0.000 2.028 102 E HA -0.220 4.130 4.350 -0.000 0.000 0.190 102 E C 2.013 178.634 176.600 0.035 0.000 0.984 102 E CA 1.274 57.688 56.400 0.023 0.000 0.800 102 E CB -0.139 29.569 29.700 0.015 0.000 0.758 102 E HN 0.591 nan 8.360 nan 0.000 0.448 103 D N -0.027 120.396 120.400 0.038 0.000 2.158 103 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 103 D C 1.900 178.238 176.300 0.064 0.000 0.995 103 D CA 1.481 55.510 54.000 0.047 0.000 0.846 103 D CB -0.371 40.455 40.800 0.044 0.000 0.941 103 D HN 0.208 nan 8.370 nan 0.000 0.456 104 T N 0.518 115.112 114.554 0.066 0.000 2.674 104 T HA -0.167 4.183 4.350 -0.000 0.000 0.265 104 T C 1.971 176.719 174.700 0.079 0.000 1.039 104 T CA 1.154 63.302 62.100 0.081 0.000 1.150 104 T CB -0.001 68.913 68.868 0.077 0.000 0.864 104 T HN 0.149 nan 8.240 nan 0.000 0.427 105 R N 0.806 121.347 120.500 0.068 0.000 2.073 105 R HA -0.133 4.206 4.340 -0.000 0.000 0.234 105 R C 1.979 178.314 176.300 0.058 0.000 1.134 105 R CA 1.914 58.053 56.100 0.066 0.000 0.952 105 R CB -0.247 30.083 30.300 0.051 0.000 0.850 105 R HN 0.298 nan 8.270 nan 0.000 0.433 106 D N 0.643 121.074 120.400 0.052 0.000 2.084 106 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 106 D C 2.065 178.403 176.300 0.064 0.000 0.990 106 D CA 1.211 55.242 54.000 0.051 0.000 0.826 106 D CB -0.315 40.511 40.800 0.043 0.000 0.971 106 D HN 0.264 nan 8.370 nan 0.000 0.453 107 L N 0.395 121.668 121.223 0.083 0.000 2.079 107 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 107 L C 2.530 179.462 176.870 0.104 0.000 1.081 107 L CA 0.759 55.672 54.840 0.121 0.000 0.752 107 L CB -0.337 41.823 42.059 0.168 0.000 0.896 107 L HN 0.042 nan 8.230 nan 0.000 0.433 108 L N -0.838 120.428 121.223 0.072 0.000 2.291 108 L HA -0.131 4.209 4.340 -0.000 0.000 0.214 108 L C 1.607 178.481 176.870 0.007 0.000 1.120 108 L CA 0.606 55.455 54.840 0.016 0.000 0.799 108 L CB -0.368 41.700 42.059 0.016 0.000 0.925 108 L HN 0.263 nan 8.230 nan 0.000 0.446 109 D N -0.282 120.139 120.400 0.034 0.000 2.348 109 D HA 0.007 4.647 4.640 -0.000 0.000 0.211 109 D C 0.468 176.799 176.300 0.051 0.000 0.998 109 D CA 0.598 54.622 54.000 0.041 0.000 0.873 109 D CB 0.220 41.048 40.800 0.046 0.000 0.925 109 D HN 0.272 nan 8.370 nan 0.000 0.524 110 N N 0.765 119.494 118.700 0.049 0.000 2.723 110 N HA 0.096 4.836 4.740 -0.000 0.000 0.290 110 N C -0.629 174.906 175.510 0.042 0.000 1.882 110 N CA -0.099 52.989 53.050 0.064 0.000 0.851 110 N CB 2.198 40.727 38.487 0.070 0.000 1.234 110 N HN -0.151 nan 8.380 nan 0.000 0.491 111 V N 1.492 121.375 119.914 -0.052 0.000 2.617 111 V HA -0.078 4.042 4.120 -0.000 0.000 0.304 111 V C 0.872 176.848 176.094 -0.197 0.000 1.040 111 V CA 0.347 62.529 62.300 -0.197 0.000 1.149 111 V CB 0.566 32.082 31.823 -0.513 0.000 0.914 111 V HN 0.325 nan 8.190 nan 0.000 0.487 112 Q N 4.164 123.962 119.800 -0.004 0.000 2.441 112 Q HA 0.225 4.564 4.340 -0.000 0.000 0.234 112 Q C -0.099 175.984 176.000 0.137 0.000 1.078 112 Q CA -0.214 55.632 55.803 0.071 0.000 0.907 112 Q CB 0.390 29.179 28.738 0.085 0.000 1.269 112 Q HN 0.771 nan 8.270 nan 0.000 0.502 113 Y N 0.723 121.252 120.300 0.382 0.000 2.483 113 Y HA -0.095 4.455 4.550 -0.000 0.000 0.291 113 Y C 1.009 176.538 175.900 -0.618 0.000 1.143 113 Y CA 0.424 59.365 58.100 1.402 0.000 1.289 113 Y CB 0.421 39.278 38.460 0.662 0.000 0.983 113 Y HN 0.484 nan 8.280 nan 0.000 0.556 114 A N 0.363 123.039 122.820 -0.239 0.000 2.311 114 A HA 0.556 4.876 4.320 -0.000 0.000 0.306 114 A C -2.618 174.900 177.584 -0.110 0.000 1.189 114 A CA -1.847 49.938 52.037 -0.419 0.000 0.791 114 A CB 0.431 19.274 19.000 -0.262 0.000 1.172 114 A HN -0.114 nan 8.150 nan 0.000 0.481 115 P HA 0.264 nan 4.420 nan 0.000 0.267 115 P C 0.788 178.052 177.300 -0.061 0.000 1.200 115 P CA 0.335 63.422 63.100 -0.021 0.000 0.772 115 P CB 1.091 32.794 31.700 0.005 0.000 0.855 116 A N 2.309 125.080 122.820 -0.082 0.000 1.997 116 A HA 0.019 4.339 4.320 -0.000 0.000 0.212 116 A C 2.003 179.539 177.584 -0.080 0.000 1.178 116 A CA 1.234 53.218 52.037 -0.088 0.000 0.698 116 A CB -0.314 18.621 19.000 -0.109 0.000 0.842 116 A HN 0.461 nan 8.150 nan 0.000 0.458 117 R N -1.141 119.307 120.500 -0.086 0.000 2.789 117 R HA 0.287 4.627 4.340 -0.000 0.000 0.166 117 R C 1.303 177.642 176.300 0.065 0.000 0.957 117 R CA 0.879 56.963 56.100 -0.026 0.000 1.084 117 R CB -0.618 29.644 30.300 -0.063 0.000 1.312 117 R HN 0.322 nan 8.270 nan 0.000 0.546 118 G N 0.290 109.195 108.800 0.175 0.000 2.667 118 G HA2 0.119 4.079 3.960 -0.000 0.000 0.250 118 G HA3 0.119 4.079 3.960 -0.000 0.000 0.250 118 G C -0.096 174.863 174.900 0.099 0.000 1.212 118 G CA -0.281 44.983 45.100 0.273 0.000 0.874 118 G HN 0.350 nan 8.290 nan 0.000 0.561 119 R N -0.676 119.850 120.500 0.043 0.000 2.090 119 R HA 0.095 4.435 4.340 -0.000 0.000 0.228 119 R C -0.003 176.066 176.300 -0.385 0.000 1.110 119 R CA 0.759 56.727 56.100 -0.221 0.000 0.973 119 R CB -0.011 30.082 30.300 -0.345 0.000 0.869 119 R HN 0.428 nan 8.270 nan 0.000 0.440 120 F N -0.058 119.960 119.950 0.112 0.000 2.538 120 F HA 0.366 4.893 4.527 -0.000 0.000 0.325 120 F C 0.286 176.151 175.800 0.108 0.000 1.066 120 F CA -1.084 56.985 58.000 0.114 0.000 0.946 120 F CB 1.385 40.439 39.000 0.090 0.000 1.199 120 F HN -0.377 nan 8.300 nan 0.000 0.473 121 K N 2.371 122.938 120.400 0.278 0.000 2.319 121 K HA 0.436 4.756 4.320 -0.000 0.000 0.237 121 K C -1.212 175.402 176.600 0.023 0.000 1.113 121 K CA -0.248 56.106 56.287 0.111 0.000 1.072 121 K CB 0.253 32.834 32.500 0.136 0.000 1.734 121 K HN 0.480 nan 8.250 nan 0.000 0.429 122 V N 3.504 123.433 119.914 0.026 0.000 2.655 122 V HA -0.029 4.091 4.120 -0.000 0.000 0.300 122 V C -0.260 175.727 176.094 -0.178 0.000 1.044 122 V CA 0.143 62.443 62.300 0.001 0.000 1.095 122 V CB 0.102 31.966 31.823 0.069 0.000 0.952 122 V HN 0.465 nan 8.190 nan 0.000 0.485 123 Y N 4.298 124.557 120.300 -0.069 0.000 2.805 123 Y HA 0.434 4.984 4.550 -0.000 0.000 0.339 123 Y C -0.089 175.890 175.900 0.132 0.000 1.012 123 Y CA -0.787 57.309 58.100 -0.007 0.000 1.262 123 Y CB 1.396 39.774 38.460 -0.137 0.000 1.100 123 Y HN 0.580 nan 8.280 nan 0.000 0.559 124 L N 5.219 126.563 121.223 0.202 0.000 2.385 124 L HA 0.428 4.768 4.340 -0.000 0.000 0.281 124 L C -0.826 176.170 176.870 0.210 0.000 1.106 124 L CA 0.109 55.071 54.840 0.202 0.000 0.856 124 L CB -0.381 41.759 42.059 0.136 0.000 1.186 124 L HN 0.381 nan 8.230 nan 0.000 0.453 125 I N 4.676 125.383 120.570 0.228 0.000 2.410 125 I HA 0.294 4.464 4.170 -0.000 0.000 0.286 125 I C -0.596 175.618 176.117 0.162 0.000 1.009 125 I CA -0.709 60.705 61.300 0.190 0.000 1.111 125 I CB 1.540 39.654 38.000 0.189 0.000 1.262 125 I HN 0.489 nan 8.210 nan 0.000 0.443 126 D N 7.294 127.777 120.400 0.137 0.000 2.295 126 D HA 0.128 4.768 4.640 -0.000 0.000 0.248 126 D C -0.110 176.274 176.300 0.141 0.000 1.154 126 D CA 0.299 54.377 54.000 0.130 0.000 0.857 126 D CB 0.752 41.615 40.800 0.104 0.000 1.117 126 D HN 0.555 nan 8.370 nan 0.000 0.468 127 E N 1.879 122.184 120.200 0.176 0.000 2.613 127 E HA -0.151 4.199 4.350 -0.000 0.000 0.161 127 E C 1.120 177.878 176.600 0.263 0.000 1.664 127 E CA 0.263 56.831 56.400 0.280 0.000 0.661 127 E CB -0.975 28.900 29.700 0.292 0.000 1.098 127 E HN 0.407 nan 8.360 nan 0.000 0.364 128 V N -0.512 119.561 119.914 0.265 0.000 3.041 128 V HA -0.181 3.939 4.120 -0.000 0.000 0.260 128 V C 2.061 178.336 176.094 0.302 0.000 1.105 128 V CA 1.684 64.102 62.300 0.197 0.000 1.125 128 V CB -0.524 31.346 31.823 0.079 0.000 0.730 128 V HN 0.708 nan 8.190 nan 0.000 0.479 129 H N -0.568 118.593 119.070 0.152 0.000 2.563 129 H HA 0.180 4.736 4.556 -0.000 0.000 0.272 129 H C 1.316 176.703 175.328 0.099 0.000 1.005 129 H CA 0.695 56.839 56.048 0.159 0.000 1.171 129 H CB -0.191 29.624 29.762 0.088 0.000 1.351 129 H HN 0.497 nan 8.280 nan 0.000 0.602 130 M N 0.745 120.204 119.600 -0.234 0.000 2.496 130 M HA 0.282 4.762 4.480 -0.000 0.000 0.330 130 M C -0.463 175.820 176.300 -0.030 0.000 1.133 130 M CA -0.083 55.081 55.300 -0.226 0.000 0.964 130 M CB 0.734 33.146 32.600 -0.313 0.000 1.401 130 M HN 0.016 nan 8.290 nan 0.000 0.520 131 L N 0.809 122.090 121.223 0.096 0.000 2.397 131 L HA 0.271 4.611 4.340 -0.000 0.000 0.271 131 L C 0.701 177.648 176.870 0.128 0.000 1.148 131 L CA -0.577 54.355 54.840 0.154 0.000 0.825 131 L CB 1.038 43.249 42.059 0.253 0.000 1.117 131 L HN 0.308 nan 8.230 nan 0.000 0.456 132 S N 2.284 118.053 115.700 0.115 0.000 2.552 132 S HA 0.051 4.521 4.470 -0.000 0.000 0.289 132 S C 1.061 175.667 174.600 0.010 0.000 1.304 132 S CA -0.486 57.767 58.200 0.088 0.000 1.063 132 S CB 0.622 63.985 63.200 0.271 0.000 0.848 132 S HN 0.618 nan 8.310 nan 0.000 0.499 133 R N 1.391 121.751 120.500 -0.234 0.000 2.211 133 R HA -0.177 4.163 4.340 -0.000 0.000 0.240 133 R C 1.572 177.755 176.300 -0.195 0.000 1.144 133 R CA 2.140 58.071 56.100 -0.281 0.000 0.992 133 R CB -0.678 29.385 30.300 -0.395 0.000 0.869 133 R HN 0.837 nan 8.270 nan 0.000 0.462 134 H N -0.460 118.648 119.070 0.064 0.000 2.307 134 H HA -0.009 4.547 4.556 -0.000 0.000 0.303 134 H C 2.283 177.657 175.328 0.075 0.000 1.073 134 H CA 1.515 57.599 56.048 0.059 0.000 1.338 134 H CB -0.099 29.686 29.762 0.039 0.000 1.389 134 H HN 0.200 nan 8.280 nan 0.000 0.503 135 S N -0.105 115.724 115.700 0.215 0.000 2.562 135 S HA -0.067 4.403 4.470 -0.000 0.000 0.221 135 S C 1.744 176.406 174.600 0.103 0.000 0.975 135 S CA 0.029 58.310 58.200 0.134 0.000 0.918 135 S CB -0.421 62.850 63.200 0.119 0.000 0.772 135 S HN 0.362 nan 8.310 nan 0.000 0.531 136 F N 3.071 123.011 119.950 -0.016 0.000 2.187 136 F HA 0.130 4.657 4.527 -0.000 0.000 0.295 136 F C 2.144 177.910 175.800 -0.056 0.000 1.091 136 F CA 1.080 59.052 58.000 -0.047 0.000 1.308 136 F CB -0.219 38.746 39.000 -0.058 0.000 1.030 136 F HN 0.171 nan 8.300 nan 0.000 0.487 137 N N 0.681 119.499 118.700 0.197 0.000 2.244 137 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 137 N C 1.964 177.475 175.510 0.002 0.000 1.016 137 N CA 1.154 54.264 53.050 0.101 0.000 0.866 137 N CB -0.457 38.086 38.487 0.092 0.000 0.980 137 N HN 0.383 nan 8.380 nan 0.000 0.430 138 A N 1.068 123.886 122.820 -0.003 0.000 1.933 138 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 138 A C 2.232 179.753 177.584 -0.106 0.000 1.175 138 A CA 0.875 52.895 52.037 -0.028 0.000 0.628 138 A CB -0.554 18.446 19.000 -0.001 0.000 0.814 138 A HN 0.201 nan 8.150 nan 0.000 0.444 139 L N -0.405 120.693 121.223 -0.208 0.000 2.056 139 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 139 L C 2.298 178.954 176.870 -0.356 0.000 1.078 139 L CA 1.374 55.986 54.840 -0.380 0.000 0.749 139 L CB -0.429 41.300 42.059 -0.550 0.000 0.901 139 L HN 0.406 nan 8.230 nan 0.000 0.433 140 L N -0.577 120.480 121.223 -0.276 0.000 1.970 140 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 140 L C 2.572 179.371 176.870 -0.118 0.000 1.071 140 L CA 1.798 56.529 54.840 -0.182 0.000 0.751 140 L CB -0.609 41.405 42.059 -0.075 0.000 0.889 140 L HN 0.216 nan 8.230 nan 0.000 0.432 141 K N -0.829 119.527 120.400 -0.073 0.000 2.152 141 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 141 K C 1.889 178.474 176.600 -0.025 0.000 1.048 141 K CA 1.785 58.052 56.287 -0.033 0.000 0.933 141 K CB -0.282 32.215 32.500 -0.005 0.000 0.721 141 K HN 0.375 nan 8.250 nan 0.000 0.447 142 T N 1.229 115.753 114.554 -0.050 0.000 3.043 142 T HA 0.068 4.418 4.350 -0.000 0.000 0.263 142 T C 1.765 176.461 174.700 -0.005 0.000 1.094 142 T CA 0.448 62.550 62.100 0.004 0.000 1.127 142 T CB 0.099 68.981 68.868 0.024 0.000 0.905 142 T HN 0.092 nan 8.240 nan 0.000 0.490 143 L N 0.677 121.835 121.223 -0.109 0.000 2.131 143 L HA 0.033 4.373 4.340 -0.000 0.000 0.206 143 L C 2.756 179.578 176.870 -0.080 0.000 1.087 143 L CA 1.050 55.822 54.840 -0.113 0.000 0.767 143 L CB -0.268 41.660 42.059 -0.219 0.000 0.917 143 L HN 0.203 nan 8.230 nan 0.000 0.441 144 E N 1.120 121.276 120.200 -0.074 0.000 2.085 144 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 144 E C 0.170 176.730 176.600 -0.067 0.000 0.994 144 E CA 1.281 57.644 56.400 -0.062 0.000 0.801 144 E CB 0.245 29.918 29.700 -0.045 0.000 0.743 144 E HN 0.354 nan 8.360 nan 0.000 0.453 145 E N 0.635 120.805 120.200 -0.049 0.000 2.761 145 E HA 0.241 4.591 4.350 -0.000 0.000 0.266 145 E C -2.514 174.078 176.600 -0.012 0.000 1.097 145 E CA -1.693 54.676 56.400 -0.051 0.000 0.773 145 E CB 1.867 31.550 29.700 -0.028 0.000 1.453 145 E HN 0.207 nan 8.360 nan 0.000 0.388 146 P HA 0.360 nan 4.420 nan 0.000 0.296 146 P C -2.559 174.750 177.300 0.015 0.000 1.301 146 P CA -1.750 61.364 63.100 0.023 0.000 0.862 146 P CB 1.259 32.983 31.700 0.040 0.000 1.046 147 P HA 0.157 nan 4.420 nan 0.000 0.272 147 P C 0.538 177.843 177.300 0.008 0.000 1.240 147 P CA -0.029 63.090 63.100 0.033 0.000 0.791 147 P CB 1.156 32.871 31.700 0.025 0.000 0.978 148 E N -0.147 120.126 120.200 0.121 0.000 2.204 148 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 148 E C 1.728 178.466 176.600 0.231 0.000 0.989 148 E CA 1.405 57.935 56.400 0.218 0.000 0.824 148 E CB -0.638 29.188 29.700 0.210 0.000 0.756 148 E HN 0.689 nan 8.360 nan 0.000 0.477 149 H N -1.367 117.815 119.070 0.187 0.000 2.482 149 H HA 0.174 4.730 4.556 -0.000 0.000 0.286 149 H C 0.539 176.014 175.328 0.244 0.000 1.017 149 H CA -0.039 56.098 56.048 0.147 0.000 1.322 149 H CB -0.072 29.736 29.762 0.076 0.000 1.426 149 H HN -0.135 nan 8.280 nan 0.000 0.546 150 V N 2.363 122.196 119.914 -0.135 0.000 2.546 150 V HA 0.249 4.369 4.120 -0.000 0.000 0.284 150 V C -0.078 176.026 176.094 0.017 0.000 1.050 150 V CA -0.616 61.649 62.300 -0.058 0.000 0.981 150 V CB 1.350 33.016 31.823 -0.261 0.000 0.990 150 V HN 0.335 nan 8.190 nan 0.000 0.474 151 K N 3.595 123.975 120.400 -0.033 0.000 2.469 151 K HA 0.595 4.915 4.320 -0.000 0.000 0.254 151 K C -1.402 175.118 176.600 -0.133 0.000 0.939 151 K CA -0.474 55.809 56.287 -0.006 0.000 0.812 151 K CB 2.512 35.027 32.500 0.025 0.000 1.301 151 K HN 0.392 nan 8.250 nan 0.000 0.433 152 F N 1.156 121.196 119.950 0.150 0.000 2.492 152 F HA 0.509 5.035 4.527 -0.000 0.000 0.327 152 F C 0.272 176.182 175.800 0.184 0.000 1.079 152 F CA -0.863 57.228 58.000 0.153 0.000 0.967 152 F CB 1.325 40.356 39.000 0.052 0.000 1.169 152 F HN 0.096 nan 8.300 nan 0.000 0.472 153 L N 4.996 126.465 121.223 0.409 0.000 2.462 153 L HA 0.395 4.735 4.340 -0.000 0.000 0.255 153 L C -1.065 175.990 176.870 0.309 0.000 1.076 153 L CA -0.260 54.792 54.840 0.354 0.000 0.920 153 L CB 0.650 42.920 42.059 0.353 0.000 1.214 153 L HN 0.439 nan 8.230 nan 0.000 0.472 154 L N 2.168 123.516 121.223 0.209 0.000 2.371 154 L HA 0.726 5.066 4.340 -0.000 0.000 0.272 154 L C 0.515 177.489 176.870 0.173 0.000 1.124 154 L CA -0.147 54.782 54.840 0.148 0.000 0.816 154 L CB 1.409 43.492 42.059 0.040 0.000 1.129 154 L HN 0.580 nan 8.230 nan 0.000 0.448 155 A N 2.184 125.107 122.820 0.172 0.000 2.423 155 A HA 0.957 5.277 4.320 -0.000 0.000 0.304 155 A C -0.584 177.068 177.584 0.113 0.000 1.104 155 A CA -0.428 51.712 52.037 0.173 0.000 0.757 155 A CB 2.007 21.113 19.000 0.177 0.000 1.313 155 A HN 0.650 nan 8.150 nan 0.000 0.423 156 T N 0.040 114.630 114.554 0.059 0.000 2.893 156 T HA 0.364 4.714 4.350 -0.000 0.000 0.337 156 T C 0.255 174.909 174.700 -0.077 0.000 1.587 156 T CA -0.078 62.007 62.100 -0.026 0.000 1.066 156 T CB 1.559 70.346 68.868 -0.135 0.000 1.414 156 T HN 0.514 nan 8.240 nan 0.000 0.488 157 T N 0.578 115.062 114.554 -0.115 0.000 3.037 157 T HA 0.185 4.535 4.350 -0.000 0.000 0.252 157 T C -0.097 174.530 174.700 -0.122 0.000 1.073 157 T CA 0.448 62.510 62.100 -0.063 0.000 1.091 157 T CB 0.056 68.947 68.868 0.038 0.000 0.935 157 T HN 0.509 nan 8.240 nan 0.000 0.488 158 D N 0.510 120.725 120.400 -0.308 0.000 2.336 158 D HA 0.330 4.970 4.640 -0.000 0.000 0.248 158 D C -2.243 173.888 176.300 -0.280 0.000 1.326 158 D CA -2.073 51.790 54.000 -0.229 0.000 0.973 158 D CB 1.846 42.562 40.800 -0.140 0.000 1.255 158 D HN -0.116 nan 8.370 nan 0.000 0.558 159 P HA -0.082 nan 4.420 nan 0.000 0.222 159 P C 1.105 178.378 177.300 -0.044 0.000 1.147 159 P CA 0.905 63.950 63.100 -0.091 0.000 0.790 159 P CB 0.385 32.063 31.700 -0.038 0.000 0.780 160 Q N -0.386 119.395 119.800 -0.031 0.000 2.230 160 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 160 Q C 1.544 177.549 176.000 0.008 0.000 0.963 160 Q CA 0.878 56.678 55.803 -0.005 0.000 0.866 160 Q CB -0.224 28.516 28.738 0.004 0.000 0.931 160 Q HN 0.353 nan 8.270 nan 0.000 0.452 161 K N 0.335 120.744 120.400 0.015 0.000 2.551 161 K HA 0.105 4.425 4.320 -0.000 0.000 0.192 161 K C -0.019 176.636 176.600 0.092 0.000 1.027 161 K CA 0.139 56.469 56.287 0.072 0.000 1.059 161 K CB 0.225 32.841 32.500 0.195 0.000 0.831 161 K HN 0.129 nan 8.250 nan 0.000 0.508 162 L N 3.063 124.331 121.223 0.075 0.000 2.272 162 L HA 0.281 4.621 4.340 -0.000 0.000 0.289 162 L C -2.081 174.842 176.870 0.088 0.000 1.032 162 L CA -2.298 52.619 54.840 0.127 0.000 0.810 162 L CB 1.252 43.375 42.059 0.107 0.000 1.205 162 L HN -0.070 nan 8.230 nan 0.000 0.422 163 P HA -0.025 nan 4.420 nan 0.000 0.266 163 P C 0.966 178.302 177.300 0.059 0.000 1.195 163 P CA -0.222 62.919 63.100 0.068 0.000 0.768 163 P CB 1.126 32.879 31.700 0.089 0.000 0.838 164 V N 2.379 122.309 119.914 0.026 0.000 2.660 164 V HA -0.254 3.866 4.120 -0.000 0.000 0.257 164 V C 2.594 178.693 176.094 0.008 0.000 1.088 164 V CA 2.600 64.906 62.300 0.010 0.000 1.106 164 V CB -2.257 29.566 31.823 0.001 0.000 0.686 164 V HN 0.714 nan 8.190 nan 0.000 0.481 165 T N -1.954 112.614 114.554 0.023 0.000 2.881 165 T HA -0.060 4.290 4.350 -0.000 0.000 0.270 165 T C 1.739 176.437 174.700 -0.003 0.000 1.068 165 T CA 1.477 63.586 62.100 0.015 0.000 1.131 165 T CB -0.228 68.661 68.868 0.035 0.000 0.871 165 T HN 0.453 nan 8.240 nan 0.000 0.479 166 I N -0.006 120.570 120.570 0.010 0.000 2.556 166 I HA 0.124 4.294 4.170 -0.000 0.000 0.251 166 I C 2.491 178.575 176.117 -0.056 0.000 1.105 166 I CA 0.333 61.606 61.300 -0.045 0.000 1.436 166 I CB -0.174 37.800 38.000 -0.042 0.000 1.139 166 I HN 0.167 nan 8.210 nan 0.000 0.438 167 L N 0.978 122.183 121.223 -0.030 0.000 2.021 167 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 167 L C 2.744 179.577 176.870 -0.062 0.000 1.074 167 L CA 2.173 56.985 54.840 -0.047 0.000 0.760 167 L CB -0.722 41.320 42.059 -0.029 0.000 0.889 167 L HN 0.387 nan 8.230 nan 0.000 0.433 168 S N -0.757 114.914 115.700 -0.047 0.000 2.469 168 S HA -0.151 4.319 4.470 -0.000 0.000 0.238 168 S C 1.814 176.382 174.600 -0.052 0.000 0.998 168 S CA 0.669 58.841 58.200 -0.047 0.000 0.957 168 S CB -0.319 62.861 63.200 -0.032 0.000 0.764 168 S HN 0.437 nan 8.310 nan 0.000 0.514 169 R N -0.395 120.067 120.500 -0.063 0.000 2.317 169 R HA 0.308 4.647 4.340 -0.000 0.000 0.208 169 R C -0.339 175.918 176.300 -0.073 0.000 0.914 169 R CA -0.036 56.026 56.100 -0.063 0.000 1.060 169 R CB 0.004 30.257 30.300 -0.078 0.000 1.015 169 R HN 0.389 nan 8.270 nan 0.000 0.498 170 C N 0.259 119.497 119.300 -0.104 0.000 2.667 170 C HA 0.386 4.846 4.460 -0.000 0.000 0.323 170 C C -0.303 174.556 174.990 -0.218 0.000 1.214 170 C CA -1.148 57.779 59.018 -0.151 0.000 1.721 170 C CB 1.537 29.185 27.740 -0.153 0.000 2.275 170 C HN 0.215 nan 8.230 nan 0.000 0.491 171 L N 2.868 123.884 121.223 -0.344 0.000 2.302 171 L HA 0.297 4.637 4.340 -0.000 0.000 0.285 171 L C 0.171 176.733 176.870 -0.513 0.000 1.090 171 L CA 0.674 55.219 54.840 -0.492 0.000 0.866 171 L CB -0.235 41.380 42.059 -0.739 0.000 1.244 171 L HN 0.696 nan 8.230 nan 0.000 0.435 172 Q N 3.837 123.356 119.800 -0.469 0.000 2.373 172 Q HA 0.396 4.736 4.340 -0.000 0.000 0.255 172 Q C -1.308 174.334 176.000 -0.596 0.000 0.980 172 Q CA 0.405 55.974 55.803 -0.391 0.000 0.882 172 Q CB 1.015 29.627 28.738 -0.211 0.000 1.249 172 Q HN 0.456 nan 8.270 nan 0.000 0.438 173 F N 0.643 120.580 119.950 -0.022 0.000 2.617 173 F HA 0.178 4.705 4.527 -0.000 0.000 0.325 173 F C -0.414 175.465 175.800 0.132 0.000 1.179 173 F CA -0.712 57.346 58.000 0.097 0.000 0.965 173 F CB 1.440 40.565 39.000 0.208 0.000 1.232 173 F HN 0.522 nan 8.300 nan 0.000 0.461 174 H N 5.378 124.616 119.070 0.280 0.000 2.594 174 H HA 0.436 4.992 4.556 -0.000 0.000 0.304 174 H C -0.766 174.654 175.328 0.153 0.000 1.068 174 H CA -0.235 55.917 56.048 0.173 0.000 1.308 174 H CB 0.957 30.778 29.762 0.098 0.000 1.409 174 H HN 0.549 nan 8.280 nan 0.000 0.460 175 L N 6.126 127.462 121.223 0.188 0.000 2.282 175 L HA 0.241 4.581 4.340 -0.000 0.000 0.287 175 L C 0.901 177.879 176.870 0.180 0.000 1.075 175 L CA -0.325 54.597 54.840 0.136 0.000 0.839 175 L CB 0.531 42.608 42.059 0.031 0.000 1.219 175 L HN 0.366 nan 8.230 nan 0.000 0.434 176 K N 1.812 122.314 120.400 0.171 0.000 2.180 176 K HA 0.434 4.754 4.320 -0.000 0.000 0.251 176 K C 0.270 176.907 176.600 0.063 0.000 1.014 176 K CA -0.457 55.905 56.287 0.125 0.000 0.913 176 K CB 0.891 33.433 32.500 0.070 0.000 1.008 176 K HN 0.637 nan 8.250 nan 0.000 0.490 177 A N 2.525 125.373 122.820 0.047 0.000 2.409 177 A HA 0.200 4.520 4.320 -0.000 0.000 0.262 177 A C 0.113 177.700 177.584 0.005 0.000 1.113 177 A CA -0.435 51.617 52.037 0.024 0.000 0.790 177 A CB -0.095 18.920 19.000 0.024 0.000 1.046 177 A HN 0.629 nan 8.150 nan 0.000 0.496 178 L N 1.945 123.165 121.223 -0.006 0.000 2.514 178 L HA 0.000 4.340 4.340 -0.000 0.000 0.280 178 L C 0.794 177.656 176.870 -0.013 0.000 1.223 178 L CA 0.009 54.839 54.840 -0.016 0.000 0.864 178 L CB 0.213 42.259 42.059 -0.023 0.000 1.118 178 L HN 0.928 nan 8.230 nan 0.000 0.494 179 D N 1.324 121.714 120.400 -0.018 0.000 2.357 179 D HA 0.118 4.758 4.640 -0.000 0.000 0.242 179 D C 0.921 177.212 176.300 -0.015 0.000 1.153 179 D CA -0.574 53.416 54.000 -0.016 0.000 0.918 179 D CB 1.300 42.087 40.800 -0.021 0.000 1.181 179 D HN 0.217 nan 8.370 nan 0.000 0.435 180 V N 1.783 121.691 119.914 -0.011 0.000 2.220 180 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 180 V C 1.869 177.960 176.094 -0.005 0.000 1.049 180 V CA 1.768 64.063 62.300 -0.009 0.000 1.003 180 V CB -0.780 31.040 31.823 -0.005 0.000 0.634 180 V HN 0.712 nan 8.190 nan 0.000 0.444 181 E N -0.604 119.595 120.200 -0.001 0.000 2.438 181 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 181 E C 1.852 178.460 176.600 0.013 0.000 1.110 181 E CA 0.064 56.471 56.400 0.013 0.000 0.893 181 E CB 0.102 29.810 29.700 0.013 0.000 0.990 181 E HN 0.610 nan 8.360 nan 0.000 0.490 182 Q N -0.264 119.533 119.800 -0.005 0.000 2.378 182 Q HA 0.093 4.433 4.340 -0.000 0.000 0.229 182 Q C 1.751 177.752 176.000 0.002 0.000 0.882 182 Q CA 0.079 55.871 55.803 -0.018 0.000 0.936 182 Q CB 0.579 29.293 28.738 -0.040 0.000 1.092 182 Q HN 0.290 nan 8.270 nan 0.000 0.535 183 I N 0.214 120.779 120.570 -0.008 0.000 2.731 183 I HA -0.099 4.071 4.170 -0.000 0.000 0.260 183 I C 2.553 178.651 176.117 -0.033 0.000 1.138 183 I CA 0.202 61.486 61.300 -0.027 0.000 1.461 183 I CB -0.180 37.799 38.000 -0.035 0.000 1.128 183 I HN 0.146 nan 8.210 nan 0.000 0.438 184 R N 0.964 121.456 120.500 -0.014 0.000 2.082 184 R HA -0.267 4.073 4.340 -0.000 0.000 0.234 184 R C 2.386 178.673 176.300 -0.022 0.000 1.136 184 R CA 1.944 58.029 56.100 -0.026 0.000 0.935 184 R CB -0.989 29.311 30.300 -0.001 0.000 0.842 184 R HN 0.399 nan 8.270 nan 0.000 0.430 185 H N 0.177 119.209 119.070 -0.063 0.000 2.426 185 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 185 H C 1.957 177.247 175.328 -0.064 0.000 1.107 185 H CA 2.319 58.335 56.048 -0.053 0.000 1.298 185 H CB 0.268 30.001 29.762 -0.048 0.000 1.377 185 H HN 0.313 nan 8.280 nan 0.000 0.519 186 Q N 0.691 120.500 119.800 0.015 0.000 2.049 186 Q HA -0.039 4.301 4.340 -0.000 0.000 0.198 186 Q C 2.723 178.620 176.000 -0.171 0.000 0.971 186 Q CA 1.220 56.991 55.803 -0.053 0.000 0.833 186 Q CB -0.399 28.305 28.738 -0.057 0.000 0.896 186 Q HN 0.493 nan 8.270 nan 0.000 0.434 187 L N 0.440 121.544 121.223 -0.197 0.000 2.083 187 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 187 L C 2.527 179.197 176.870 -0.332 0.000 1.083 187 L CA 1.785 56.456 54.840 -0.281 0.000 0.752 187 L CB -0.511 41.412 42.059 -0.226 0.000 0.899 187 L HN 0.460 nan 8.230 nan 0.000 0.433 188 E N -0.559 119.464 120.200 -0.296 0.000 2.047 188 E HA -0.279 4.071 4.350 -0.000 0.000 0.191 188 E C 2.237 178.696 176.600 -0.235 0.000 0.987 188 E CA 1.052 57.246 56.400 -0.343 0.000 0.799 188 E CB -0.095 29.464 29.700 -0.234 0.000 0.752 188 E HN 0.494 nan 8.360 nan 0.000 0.449 189 H N 0.761 119.651 119.070 -0.299 0.000 2.290 189 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 189 H C 2.229 177.433 175.328 -0.207 0.000 1.087 189 H CA 1.976 57.895 56.048 -0.216 0.000 1.291 189 H CB -0.146 29.507 29.762 -0.182 0.000 1.369 189 H HN 0.239 nan 8.280 nan 0.000 0.492 190 I N 0.799 121.091 120.570 -0.464 0.000 2.208 190 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 190 I C 2.748 178.645 176.117 -0.366 0.000 1.097 190 I CA 0.904 61.697 61.300 -0.845 0.000 1.363 190 I CB -0.236 36.813 38.000 -1.585 0.000 1.051 190 I HN 0.251 nan 8.210 nan 0.000 0.413 191 L N 0.368 121.400 121.223 -0.319 0.000 2.141 191 L HA -0.190 4.149 4.340 -0.000 0.000 0.209 191 L C 2.171 178.990 176.870 -0.085 0.000 1.094 191 L CA 1.018 55.755 54.840 -0.171 0.000 0.763 191 L CB -0.664 41.257 42.059 -0.230 0.000 0.908 191 L HN 0.334 nan 8.230 nan 0.000 0.437 192 N N 0.034 118.660 118.700 -0.124 0.000 2.244 192 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 192 N C 1.607 176.970 175.510 -0.245 0.000 1.016 192 N CA 1.040 54.020 53.050 -0.117 0.000 0.866 192 N CB 0.008 38.437 38.487 -0.096 0.000 0.980 192 N HN 0.412 nan 8.380 nan 0.000 0.430 193 E N 0.179 120.250 120.200 -0.216 0.000 2.435 193 E HA -0.013 4.337 4.350 -0.000 0.000 0.195 193 E C 0.603 177.144 176.600 -0.098 0.000 1.029 193 E CA 0.357 56.648 56.400 -0.181 0.000 0.865 193 E CB 0.289 29.949 29.700 -0.066 0.000 0.833 193 E HN 0.259 nan 8.360 nan 0.000 0.510 194 E N -0.202 119.988 120.200 -0.017 0.000 2.474 194 E HA -0.003 4.347 4.350 -0.000 0.000 0.195 194 E C -0.398 176.276 176.600 0.124 0.000 1.039 194 E CA 0.065 56.516 56.400 0.085 0.000 0.881 194 E CB 0.283 30.063 29.700 0.134 0.000 0.970 194 E HN 0.249 nan 8.360 nan 0.000 0.486 195 H N -0.323 118.774 119.070 0.046 0.000 2.819 195 H HA -0.160 4.396 4.556 -0.000 0.000 0.315 195 H C -0.332 175.019 175.328 0.038 0.000 1.242 195 H CA 0.665 56.734 56.048 0.035 0.000 1.157 195 H CB -2.048 27.728 29.762 0.024 0.000 1.451 195 H HN 0.178 nan 8.280 nan 0.000 0.430 196 I N 0.113 120.756 120.570 0.122 0.000 2.406 196 I HA 0.498 4.668 4.170 -0.000 0.000 0.290 196 I C 1.046 177.239 176.117 0.127 0.000 0.999 196 I CA -0.576 60.787 61.300 0.104 0.000 1.124 196 I CB 1.845 39.890 38.000 0.075 0.000 1.289 196 I HN 0.292 nan 8.210 nan 0.000 0.441 197 A N 6.420 129.292 122.820 0.086 0.000 2.429 197 A HA 0.426 4.746 4.320 -0.000 0.000 0.242 197 A C -0.163 177.494 177.584 0.121 0.000 1.088 197 A CA 0.402 52.466 52.037 0.045 0.000 0.784 197 A CB 0.131 19.136 19.000 0.008 0.000 1.038 197 A HN 0.982 nan 8.150 nan 0.000 0.501 198 H N -1.473 117.589 119.070 -0.014 0.000 2.984 198 H HA 0.434 4.990 4.556 -0.000 0.000 0.298 198 H C -1.751 173.565 175.328 -0.019 0.000 1.378 198 H CA -0.722 55.313 56.048 -0.021 0.000 1.241 198 H CB 0.441 30.183 29.762 -0.034 0.000 1.894 198 H HN 0.602 nan 8.280 nan 0.000 0.511 199 E N 2.184 122.467 120.200 0.138 0.000 2.176 199 E HA 0.209 4.559 4.350 -0.000 0.000 0.267 199 E C -1.812 174.877 176.600 0.149 0.000 0.893 199 E CA -2.268 54.175 56.400 0.072 0.000 0.761 199 E CB 2.532 32.252 29.700 0.032 0.000 1.133 199 E HN 0.373 nan 8.360 nan 0.000 0.409 200 P HA -0.212 nan 4.420 nan 0.000 0.218 200 P C 1.035 178.368 177.300 0.056 0.000 1.146 200 P CA 1.124 64.292 63.100 0.115 0.000 0.813 200 P CB 0.308 32.058 31.700 0.083 0.000 0.778 201 R N -0.579 119.945 120.500 0.041 0.000 2.275 201 R HA 0.148 4.488 4.340 -0.000 0.000 0.199 201 R C 2.064 178.374 176.300 0.017 0.000 0.989 201 R CA 0.696 56.810 56.100 0.024 0.000 1.016 201 R CB -0.220 30.091 30.300 0.019 0.000 0.918 201 R HN 0.079 nan 8.270 nan 0.000 0.473 202 A N 0.525 123.359 122.820 0.024 0.000 1.935 202 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 202 A C 1.965 179.544 177.584 -0.009 0.000 1.178 202 A CA 0.541 52.584 52.037 0.011 0.000 0.640 202 A CB -0.201 18.814 19.000 0.024 0.000 0.825 202 A HN 0.238 nan 8.150 nan 0.000 0.447 203 L N -0.880 120.335 121.223 -0.015 0.000 2.093 203 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 203 L C 2.825 179.670 176.870 -0.040 0.000 1.085 203 L CA 1.629 56.434 54.840 -0.058 0.000 0.755 203 L CB -0.389 41.610 42.059 -0.101 0.000 0.904 203 L HN 0.472 nan 8.230 nan 0.000 0.435 204 Q N 0.584 120.374 119.800 -0.016 0.000 2.084 204 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 204 Q C 2.170 178.162 176.000 -0.012 0.000 0.978 204 Q CA 1.734 57.532 55.803 -0.009 0.000 0.844 204 Q CB -0.295 28.446 28.738 0.005 0.000 0.898 204 Q HN 0.440 nan 8.270 nan 0.000 0.426 205 L N -0.460 120.757 121.223 -0.011 0.000 2.083 205 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 205 L C 2.290 179.148 176.870 -0.021 0.000 1.083 205 L CA 0.968 55.800 54.840 -0.013 0.000 0.752 205 L CB -0.380 41.672 42.059 -0.012 0.000 0.899 205 L HN 0.296 nan 8.230 nan 0.000 0.433 206 L N -0.758 120.446 121.223 -0.031 0.000 2.156 206 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 206 L C 2.733 179.579 176.870 -0.041 0.000 1.095 206 L CA 0.859 55.675 54.840 -0.040 0.000 0.770 206 L CB -0.466 41.559 42.059 -0.056 0.000 0.914 206 L HN 0.200 nan 8.230 nan 0.000 0.439 207 A N -0.233 122.563 122.820 -0.040 0.000 2.014 207 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 207 A C 2.353 179.923 177.584 -0.024 0.000 1.163 207 A CA 1.109 53.125 52.037 -0.036 0.000 0.652 207 A CB -0.271 18.711 19.000 -0.031 0.000 0.808 207 A HN 0.313 nan 8.150 nan 0.000 0.449 208 R N -0.847 119.642 120.500 -0.019 0.000 2.090 208 R HA 0.144 4.484 4.340 -0.000 0.000 0.219 208 R C 2.546 178.837 176.300 -0.014 0.000 1.100 208 R CA 0.819 56.911 56.100 -0.013 0.000 0.991 208 R CB -0.418 29.876 30.300 -0.009 0.000 0.893 208 R HN 0.450 nan 8.270 nan 0.000 0.443 209 A N 2.019 124.829 122.820 -0.017 0.000 1.881 209 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 209 A C 1.296 178.871 177.584 -0.015 0.000 1.215 209 A CA 1.857 53.884 52.037 -0.017 0.000 0.648 209 A CB -0.793 18.194 19.000 -0.021 0.000 0.832 209 A HN 0.404 nan 8.150 nan 0.000 0.455 210 A N -0.375 122.433 122.820 -0.019 0.000 2.363 210 A HA 0.488 4.808 4.320 -0.000 0.000 0.270 210 A C 0.053 177.629 177.584 -0.013 0.000 1.121 210 A CA -0.186 51.842 52.037 -0.016 0.000 0.800 210 A CB 0.132 19.119 19.000 -0.022 0.000 1.052 210 A HN 0.483 nan 8.150 nan 0.000 0.493 211 E N 1.996 122.191 120.200 -0.007 0.000 1.993 211 E HA 0.427 4.777 4.350 -0.000 0.000 0.271 211 E C 0.960 177.558 176.600 -0.003 0.000 1.008 211 E CA 0.394 56.791 56.400 -0.004 0.000 0.814 211 E CB -0.046 29.654 29.700 0.001 0.000 1.098 211 E HN 1.269 nan 8.360 nan 0.000 0.407 212 G N 3.670 112.465 108.800 -0.007 0.000 2.203 212 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.263 212 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.263 212 G C 0.069 174.963 174.900 -0.010 0.000 1.012 212 G CA 0.728 45.824 45.100 -0.008 0.000 0.749 212 G HN 0.620 nan 8.290 nan 0.000 0.512 213 S N -0.972 114.720 115.700 -0.013 0.000 2.406 213 S HA 0.554 5.024 4.470 -0.000 0.000 0.224 213 S C 1.050 175.639 174.600 -0.019 0.000 1.426 213 S CA -0.159 58.033 58.200 -0.013 0.000 1.179 213 S CB 1.587 64.783 63.200 -0.007 0.000 1.042 213 S HN 0.615 nan 8.310 nan 0.000 0.479 214 L N 3.171 124.381 121.223 -0.023 0.000 2.129 214 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 214 L C 2.455 179.311 176.870 -0.022 0.000 1.087 214 L CA 1.730 56.553 54.840 -0.029 0.000 0.757 214 L CB -0.543 41.501 42.059 -0.026 0.000 0.896 214 L HN 0.633 nan 8.230 nan 0.000 0.434 215 R N -0.481 120.013 120.500 -0.010 0.000 2.103 215 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 215 R C 1.946 178.241 176.300 -0.008 0.000 1.132 215 R CA 1.816 57.915 56.100 -0.001 0.000 0.925 215 R CB -0.914 29.388 30.300 0.003 0.000 0.842 215 R HN 0.404 nan 8.270 nan 0.000 0.430 216 D N 0.620 121.014 120.400 -0.010 0.000 2.182 216 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 216 D C 1.845 178.131 176.300 -0.024 0.000 0.986 216 D CA 1.506 55.498 54.000 -0.013 0.000 0.847 216 D CB -0.231 40.563 40.800 -0.009 0.000 0.942 216 D HN 0.343 nan 8.370 nan 0.000 0.467 217 A N 0.964 123.764 122.820 -0.034 0.000 1.877 217 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 217 A C 2.440 179.985 177.584 -0.065 0.000 1.186 217 A CA 0.982 52.988 52.037 -0.053 0.000 0.620 217 A CB -0.777 18.183 19.000 -0.066 0.000 0.822 217 A HN 0.182 nan 8.150 nan 0.000 0.443 218 L N -0.744 120.441 121.223 -0.064 0.000 1.994 218 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 218 L C 2.878 179.728 176.870 -0.034 0.000 1.071 218 L CA 1.535 56.335 54.840 -0.067 0.000 0.745 218 L CB -0.728 41.306 42.059 -0.042 0.000 0.892 218 L HN 0.304 nan 8.230 nan 0.000 0.431 219 S N 0.145 115.835 115.700 -0.016 0.000 2.380 219 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 219 S C 1.984 176.576 174.600 -0.013 0.000 1.043 219 S CA 1.449 59.645 58.200 -0.006 0.000 1.038 219 S CB -0.401 62.797 63.200 -0.002 0.000 0.872 219 S HN 0.276 nan 8.310 nan 0.000 0.456 220 L N 0.588 121.798 121.223 -0.023 0.000 2.093 220 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 220 L C 2.500 179.351 176.870 -0.032 0.000 1.085 220 L CA 1.146 55.970 54.840 -0.026 0.000 0.755 220 L CB -0.887 41.154 42.059 -0.030 0.000 0.904 220 L HN 0.305 nan 8.230 nan 0.000 0.435 221 T N -1.294 113.232 114.554 -0.046 0.000 2.995 221 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 221 T C 1.320 176.001 174.700 -0.032 0.000 1.091 221 T CA 0.872 62.939 62.100 -0.055 0.000 1.128 221 T CB -0.116 68.695 68.868 -0.095 0.000 0.891 221 T HN 0.299 nan 8.240 nan 0.000 0.492 222 D N 1.203 121.592 120.400 -0.018 0.000 2.194 222 D HA -0.016 4.624 4.640 -0.000 0.000 0.204 222 D C 2.279 178.581 176.300 0.003 0.000 0.964 222 D CA 0.736 54.737 54.000 0.001 0.000 0.846 222 D CB -0.071 40.738 40.800 0.014 0.000 0.962 222 D HN 0.434 nan 8.370 nan 0.000 0.490 223 Q N 0.575 120.373 119.800 -0.003 0.000 2.016 223 Q HA -0.075 4.265 4.340 -0.000 0.000 0.200 223 Q C 2.273 178.270 176.000 -0.004 0.000 0.978 223 Q CA 1.274 57.076 55.803 -0.002 0.000 0.833 223 Q CB -0.118 28.616 28.738 -0.006 0.000 0.895 223 Q HN 0.173 nan 8.270 nan 0.000 0.427 224 A N 0.819 123.633 122.820 -0.010 0.000 1.948 224 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 224 A C 1.982 179.564 177.584 -0.003 0.000 1.177 224 A CA 1.301 53.332 52.037 -0.010 0.000 0.636 224 A CB -0.641 18.349 19.000 -0.018 0.000 0.815 224 A HN 0.321 nan 8.150 nan 0.000 0.449 225 I N -0.692 119.877 120.570 -0.000 0.000 2.193 225 I HA -0.205 3.965 4.170 -0.000 0.000 0.240 225 I C 2.983 179.106 176.117 0.010 0.000 1.084 225 I CA 0.948 62.252 61.300 0.008 0.000 1.365 225 I CB -0.375 37.633 38.000 0.013 0.000 1.064 225 I HN 0.334 nan 8.210 nan 0.000 0.410 226 A N 0.519 123.345 122.820 0.010 0.000 1.940 226 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 226 A C 2.383 179.971 177.584 0.006 0.000 1.176 226 A CA 2.391 54.434 52.037 0.010 0.000 0.631 226 A CB -0.758 18.248 19.000 0.011 0.000 0.814 226 A HN 0.546 nan 8.150 nan 0.000 0.446 227 S N -1.852 113.850 115.700 0.002 0.000 2.548 227 S HA 0.290 4.760 4.470 -0.000 0.000 0.215 227 S C 1.388 175.988 174.600 -0.001 0.000 0.976 227 S CA 0.720 58.919 58.200 -0.001 0.000 0.908 227 S CB 0.029 63.227 63.200 -0.004 0.000 0.781 227 S HN 0.662 nan 8.310 nan 0.000 0.519 228 G N 0.417 109.218 108.800 0.002 0.000 3.453 228 G HA2 0.253 4.213 3.960 -0.000 0.000 0.263 228 G HA3 0.253 4.213 3.960 -0.000 0.000 0.263 228 G C -0.265 174.639 174.900 0.006 0.000 1.060 228 G CA -0.237 44.865 45.100 0.003 0.000 0.793 228 G HN 0.358 nan 8.290 nan 0.000 0.532 229 D N 0.041 120.445 120.400 0.006 0.000 3.003 229 D HA -0.110 4.530 4.640 -0.000 0.000 0.223 229 D C 1.607 177.913 176.300 0.011 0.000 1.204 229 D CA 1.788 55.793 54.000 0.008 0.000 0.828 229 D CB -1.197 39.606 40.800 0.005 0.000 0.918 229 D HN 0.937 nan 8.370 nan 0.000 0.401 230 G N 1.244 110.053 108.800 0.016 0.000 2.225 230 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.254 230 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.254 230 G C 0.272 175.188 174.900 0.026 0.000 0.988 230 G CA 0.550 45.663 45.100 0.022 0.000 0.625 230 G HN 0.588 nan 8.290 nan 0.000 0.527 231 Q N -0.392 119.422 119.800 0.022 0.000 2.353 231 Q HA 0.584 4.924 4.340 -0.000 0.000 0.268 231 Q C -0.400 175.617 176.000 0.028 0.000 1.045 231 Q CA -0.817 55.002 55.803 0.028 0.000 0.811 231 Q CB 2.927 31.677 28.738 0.020 0.000 1.305 231 Q HN 0.146 nan 8.270 nan 0.000 0.447 232 V N 2.661 122.602 119.914 0.044 0.000 2.162 232 V HA 0.118 4.238 4.120 -0.000 0.000 0.255 232 V C 0.006 176.127 176.094 0.046 0.000 1.304 232 V CA -0.245 62.076 62.300 0.035 0.000 1.198 232 V CB -0.433 31.405 31.823 0.027 0.000 1.333 232 V HN 0.735 nan 8.190 nan 0.000 0.493 233 S N 1.492 117.207 115.700 0.026 0.000 2.578 233 S HA 0.295 4.765 4.470 -0.000 0.000 0.283 233 S C 1.243 175.850 174.600 0.011 0.000 1.195 233 S CA -0.259 57.953 58.200 0.020 0.000 1.050 233 S CB 1.603 64.809 63.200 0.010 0.000 1.012 233 S HN 0.499 nan 8.310 nan 0.000 0.511 234 T N 1.993 116.554 114.554 0.011 0.000 2.737 234 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 234 T C 1.590 176.287 174.700 -0.004 0.000 1.040 234 T CA 1.767 63.869 62.100 0.004 0.000 1.142 234 T CB -0.428 68.442 68.868 0.004 0.000 0.861 234 T HN 0.739 nan 8.240 nan 0.000 0.456 235 Q N -0.047 119.750 119.800 -0.004 0.000 2.488 235 Q HA 0.206 4.546 4.340 -0.000 0.000 0.211 235 Q C 2.315 178.308 176.000 -0.011 0.000 0.967 235 Q CA 0.751 56.549 55.803 -0.009 0.000 0.926 235 Q CB -0.059 28.674 28.738 -0.008 0.000 0.992 235 Q HN 0.601 nan 8.270 nan 0.000 0.506 236 A N -0.481 122.334 122.820 -0.008 0.000 1.993 236 A HA 0.057 4.377 4.320 -0.000 0.000 0.207 236 A C 2.062 179.638 177.584 -0.013 0.000 1.224 236 A CA 0.121 52.153 52.037 -0.009 0.000 0.749 236 A CB 0.071 19.068 19.000 -0.004 0.000 0.884 236 A HN 0.132 nan 8.150 nan 0.000 0.467 237 V N 1.110 121.017 119.914 -0.012 0.000 2.255 237 V HA -0.196 3.924 4.120 -0.000 0.000 0.243 237 V C 2.942 179.023 176.094 -0.022 0.000 1.038 237 V CA 2.352 64.642 62.300 -0.016 0.000 1.008 237 V CB -0.846 30.968 31.823 -0.014 0.000 0.645 237 V HN 0.758 nan 8.190 nan 0.000 0.449 238 S N 1.242 116.929 115.700 -0.021 0.000 2.441 238 S HA -0.237 4.233 4.470 -0.000 0.000 0.242 238 S C 1.872 176.449 174.600 -0.039 0.000 1.018 238 S CA 1.670 59.853 58.200 -0.027 0.000 0.988 238 S CB -0.546 62.639 63.200 -0.025 0.000 0.778 238 S HN 0.610 nan 8.310 nan 0.000 0.498 239 A N 1.075 123.874 122.820 -0.036 0.000 1.984 239 A HA 0.381 4.701 4.320 -0.000 0.000 0.214 239 A C 2.242 179.800 177.584 -0.043 0.000 1.173 239 A CA 0.770 52.781 52.037 -0.044 0.000 0.673 239 A CB -0.525 18.453 19.000 -0.036 0.000 0.830 239 A HN 0.501 nan 8.150 nan 0.000 0.453 240 M N -0.153 119.427 119.600 -0.033 0.000 2.065 240 M HA -0.133 4.347 4.480 -0.000 0.000 0.259 240 M C 1.806 178.085 176.300 -0.035 0.000 1.069 240 M CA 1.654 56.936 55.300 -0.030 0.000 1.110 240 M CB -0.457 32.129 32.600 -0.023 0.000 1.328 240 M HN 0.391 nan 8.290 nan 0.000 0.405 241 L N -0.581 120.621 121.223 -0.036 0.000 2.456 241 L HA 0.053 4.393 4.340 -0.000 0.000 0.224 241 L C 1.028 177.865 176.870 -0.054 0.000 1.148 241 L CA 0.335 55.153 54.840 -0.037 0.000 0.825 241 L CB -1.189 40.851 42.059 -0.031 0.000 0.937 241 L HN 0.638 nan 8.230 nan 0.000 0.450 242 G N 1.227 109.986 108.800 -0.068 0.000 2.368 242 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.290 242 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.290 242 G C -0.101 174.733 174.900 -0.109 0.000 1.098 242 G CA 0.202 45.240 45.100 -0.104 0.000 1.073 242 G HN 0.268 nan 8.290 nan 0.000 0.511 243 T N 0.992 115.496 114.554 -0.084 0.000 2.921 243 T HA 0.559 4.909 4.350 -0.000 0.000 0.297 243 T C 0.616 175.280 174.700 -0.059 0.000 1.013 243 T CA -0.841 61.217 62.100 -0.069 0.000 0.990 243 T CB 1.692 70.534 68.868 -0.043 0.000 1.023 243 T HN 0.499 nan 8.240 nan 0.000 0.447 244 L N 2.353 123.541 121.223 -0.058 0.000 2.506 244 L HA 0.146 4.486 4.340 -0.000 0.000 0.281 244 L C 0.520 177.376 176.870 -0.024 0.000 1.228 244 L CA -0.308 54.507 54.840 -0.043 0.000 0.850 244 L CB 0.131 42.170 42.059 -0.035 0.000 1.110 244 L HN 0.595 nan 8.230 nan 0.000 0.496 245 D N 1.163 121.551 120.400 -0.020 0.000 2.423 245 D HA -0.032 4.608 4.640 -0.000 0.000 0.238 245 D C 0.662 176.959 176.300 -0.005 0.000 1.142 245 D CA -0.031 53.963 54.000 -0.011 0.000 0.884 245 D CB 0.708 41.502 40.800 -0.010 0.000 1.199 245 D HN 0.400 nan 8.370 nan 0.000 0.438 246 D N 0.617 121.017 120.400 0.000 0.000 2.403 246 D HA -0.121 4.519 4.640 -0.000 0.000 0.227 246 D C 1.070 177.373 176.300 0.004 0.000 0.995 246 D CA 0.579 54.582 54.000 0.005 0.000 0.928 246 D CB 0.245 41.050 40.800 0.009 0.000 0.887 246 D HN 0.376 nan 8.370 nan 0.000 0.529 247 D N -0.333 120.068 120.400 0.001 0.000 2.323 247 D HA -0.029 4.611 4.640 -0.000 0.000 0.218 247 D C 1.768 178.069 176.300 0.001 0.000 0.973 247 D CA 0.639 54.640 54.000 0.001 0.000 0.890 247 D CB 0.300 41.100 40.800 -0.000 0.000 1.011 247 D HN 0.089 nan 8.370 nan 0.000 0.499 248 Q N 0.276 120.076 119.800 -0.001 0.000 2.050 248 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 248 Q C 2.233 178.236 176.000 0.005 0.000 0.980 248 Q CA 1.686 57.489 55.803 -0.000 0.000 0.840 248 Q CB -0.195 28.537 28.738 -0.009 0.000 0.898 248 Q HN 0.289 nan 8.270 nan 0.000 0.424 249 A N 0.887 123.710 122.820 0.004 0.000 1.898 249 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 249 A C 2.067 179.658 177.584 0.013 0.000 1.181 249 A CA 1.054 53.098 52.037 0.012 0.000 0.620 249 A CB -0.568 18.440 19.000 0.012 0.000 0.819 249 A HN 0.329 nan 8.150 nan 0.000 0.442 250 L N 0.680 121.908 121.223 0.008 0.000 2.131 250 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 250 L C 2.484 179.355 176.870 0.000 0.000 1.092 250 L CA 2.579 57.421 54.840 0.004 0.000 0.759 250 L CB -0.509 41.552 42.059 0.003 0.000 0.903 250 L HN 0.391 nan 8.230 nan 0.000 0.435 251 S N -0.914 114.789 115.700 0.004 0.000 2.387 251 S HA -0.118 4.352 4.470 -0.000 0.000 0.226 251 S C 2.012 176.617 174.600 0.008 0.000 1.026 251 S CA 1.157 59.359 58.200 0.005 0.000 0.972 251 S CB -0.640 62.565 63.200 0.008 0.000 0.814 251 S HN 0.441 nan 8.310 nan 0.000 0.477 252 L N 1.399 122.631 121.223 0.015 0.000 2.012 252 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 252 L C 2.496 179.370 176.870 0.008 0.000 1.073 252 L CA 1.152 56.006 54.840 0.024 0.000 0.748 252 L CB -0.675 41.406 42.059 0.037 0.000 0.891 252 L HN 0.222 nan 8.230 nan 0.000 0.431 253 V N -0.334 119.576 119.914 -0.007 0.000 2.392 253 V HA -0.294 3.826 4.120 -0.000 0.000 0.249 253 V C 2.267 178.316 176.094 -0.075 0.000 1.059 253 V CA 1.911 64.183 62.300 -0.047 0.000 1.051 253 V CB -0.532 31.268 31.823 -0.039 0.000 0.658 253 V HN 0.482 nan 8.190 nan 0.000 0.455 254 E N 0.189 120.365 120.200 -0.039 0.000 2.072 254 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 254 E C 2.364 178.957 176.600 -0.013 0.000 0.982 254 E CA 1.081 57.462 56.400 -0.032 0.000 0.803 254 E CB -0.366 29.326 29.700 -0.014 0.000 0.755 254 E HN 0.586 nan 8.360 nan 0.000 0.453 255 A N 1.645 124.466 122.820 0.001 0.000 1.873 255 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 255 A C 2.189 179.793 177.584 0.033 0.000 1.193 255 A CA 1.698 53.745 52.037 0.017 0.000 0.629 255 A CB -0.620 18.395 19.000 0.025 0.000 0.826 255 A HN 0.244 nan 8.150 nan 0.000 0.447 256 M N -0.271 119.347 119.600 0.031 0.000 2.082 256 M HA -0.164 4.316 4.480 -0.000 0.000 0.258 256 M C 1.925 178.306 176.300 0.134 0.000 1.069 256 M CA 2.108 57.454 55.300 0.077 0.000 1.102 256 M CB -0.239 32.377 32.600 0.026 0.000 1.336 256 M HN 0.255 nan 8.290 nan 0.000 0.404 257 V N 0.178 120.081 119.914 -0.018 0.000 2.667 257 V HA -0.201 3.919 4.120 -0.000 0.000 0.252 257 V C 1.621 177.886 176.094 0.284 0.000 1.065 257 V CA 1.690 64.028 62.300 0.063 0.000 1.083 257 V CB -0.775 30.954 31.823 -0.156 0.000 0.692 257 V HN 0.519 nan 8.190 nan 0.000 0.468 258 E N 0.257 120.528 120.200 0.117 0.000 2.435 258 E HA 0.313 4.663 4.350 -0.000 0.000 0.195 258 E C 1.306 177.882 176.600 -0.040 0.000 1.029 258 E CA 0.567 56.998 56.400 0.052 0.000 0.865 258 E CB -0.019 29.693 29.700 0.020 0.000 0.833 258 E HN 0.498 nan 8.360 nan 0.000 0.510 259 A N 2.339 125.144 122.820 -0.026 0.000 2.872 259 A HA -0.196 4.124 4.320 -0.000 0.000 0.273 259 A C -0.162 177.377 177.584 -0.074 0.000 1.442 259 A CA 0.758 52.709 52.037 -0.142 0.000 0.801 259 A CB -2.567 16.072 19.000 -0.602 0.000 1.031 259 A HN 0.463 nan 8.150 nan 0.000 0.582 260 N N 0.226 118.913 118.700 -0.022 0.000 2.485 260 N HA 0.491 5.231 4.740 -0.000 0.000 0.243 260 N C 1.025 176.539 175.510 0.005 0.000 0.987 260 N CA -0.045 52.997 53.050 -0.014 0.000 0.940 260 N CB 0.895 39.377 38.487 -0.009 0.000 1.122 260 N HN 0.446 nan 8.380 nan 0.000 0.509 261 G N 1.924 110.727 108.800 0.004 0.000 2.421 261 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 261 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 261 G C 0.970 175.881 174.900 0.017 0.000 1.171 261 G CA 0.600 45.709 45.100 0.016 0.000 0.775 261 G HN 0.712 nan 8.290 nan 0.000 0.543 262 E N 0.138 120.344 120.200 0.010 0.000 2.049 262 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 262 E C 2.495 179.106 176.600 0.018 0.000 1.007 262 E CA 1.178 57.586 56.400 0.012 0.000 0.809 262 E CB -0.189 29.515 29.700 0.008 0.000 0.749 262 E HN 0.401 nan 8.360 nan 0.000 0.450 263 R N 0.012 120.522 120.500 0.017 0.000 2.103 263 R HA -0.176 4.164 4.340 -0.000 0.000 0.242 263 R C 2.321 178.638 176.300 0.030 0.000 1.142 263 R CA 1.679 57.791 56.100 0.021 0.000 0.960 263 R CB -0.211 30.099 30.300 0.016 0.000 0.858 263 R HN 0.133 nan 8.270 nan 0.000 0.439 264 V N 0.899 120.834 119.914 0.034 0.000 2.237 264 V HA -0.309 3.811 4.120 -0.000 0.000 0.245 264 V C 2.447 178.573 176.094 0.054 0.000 1.046 264 V CA 1.773 64.101 62.300 0.047 0.000 1.007 264 V CB -0.397 31.457 31.823 0.053 0.000 0.638 264 V HN 0.344 nan 8.190 nan 0.000 0.445 265 M N 0.061 119.688 119.600 0.045 0.000 2.202 265 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 265 M C 2.307 178.638 176.300 0.052 0.000 1.063 265 M CA 1.997 57.324 55.300 0.045 0.000 1.097 265 M CB -1.793 30.824 32.600 0.028 0.000 1.382 265 M HN 0.416 nan 8.290 nan 0.000 0.413 266 A N 0.184 123.030 122.820 0.043 0.000 1.898 266 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 266 A C 2.342 179.957 177.584 0.052 0.000 1.181 266 A CA 1.199 53.261 52.037 0.042 0.000 0.620 266 A CB -0.826 18.192 19.000 0.030 0.000 0.819 266 A HN 0.475 nan 8.150 nan 0.000 0.442 267 L N -0.511 120.744 121.223 0.053 0.000 2.093 267 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 267 L C 2.376 179.296 176.870 0.085 0.000 1.085 267 L CA 0.973 55.846 54.840 0.055 0.000 0.755 267 L CB -0.482 41.606 42.059 0.047 0.000 0.904 267 L HN 0.375 nan 8.230 nan 0.000 0.435 268 I N -0.280 120.360 120.570 0.118 0.000 2.315 268 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 268 I C 2.426 178.687 176.117 0.239 0.000 1.117 268 I CA 0.944 62.368 61.300 0.208 0.000 1.404 268 I CB -0.428 37.691 38.000 0.198 0.000 1.071 268 I HN 0.374 nan 8.210 nan 0.000 0.419 269 N N 1.382 120.171 118.700 0.149 0.000 2.109 269 N HA -0.238 4.502 4.740 -0.000 0.000 0.188 269 N C 1.825 177.400 175.510 0.109 0.000 1.034 269 N CA 1.581 54.711 53.050 0.132 0.000 0.846 269 N CB -0.080 38.454 38.487 0.079 0.000 1.010 269 N HN 0.364 nan 8.380 nan 0.000 0.425 270 E N -0.157 120.087 120.200 0.074 0.000 2.209 270 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 270 E C 1.585 178.205 176.600 0.034 0.000 0.993 270 E CA 1.073 57.500 56.400 0.046 0.000 0.819 270 E CB -0.062 29.657 29.700 0.033 0.000 0.745 270 E HN 0.436 nan 8.360 nan 0.000 0.477 271 A N 0.871 123.718 122.820 0.045 0.000 1.930 271 A HA 0.111 4.431 4.320 -0.000 0.000 0.215 271 A C 2.364 179.911 177.584 -0.061 0.000 1.176 271 A CA 1.149 53.175 52.037 -0.018 0.000 0.632 271 A CB -0.517 18.470 19.000 -0.022 0.000 0.819 271 A HN 0.379 nan 8.150 nan 0.000 0.445 272 A N 0.152 123.014 122.820 0.070 0.000 1.978 272 A HA 0.132 4.452 4.320 -0.000 0.000 0.220 272 A C 2.429 180.044 177.584 0.052 0.000 1.170 272 A CA 1.960 54.074 52.037 0.127 0.000 0.636 272 A CB -0.908 18.336 19.000 0.406 0.000 0.810 272 A HN 1.036 nan 8.150 nan 0.000 0.448 273 A N 0.801 123.648 122.820 0.045 0.000 1.940 273 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 273 A C 2.021 179.602 177.584 -0.006 0.000 1.176 273 A CA 1.506 53.559 52.037 0.025 0.000 0.631 273 A CB -0.458 18.557 19.000 0.024 0.000 0.814 273 A HN 0.700 nan 8.150 nan 0.000 0.446 274 R N -0.656 119.823 120.500 -0.035 0.000 2.449 274 R HA 0.355 4.695 4.340 -0.000 0.000 0.262 274 R C 0.732 176.981 176.300 -0.084 0.000 1.006 274 R CA 0.312 56.381 56.100 -0.051 0.000 1.104 274 R CB -0.941 29.328 30.300 -0.050 0.000 1.206 274 R HN 0.642 nan 8.270 nan 0.000 0.538 275 G N 2.518 111.262 108.800 -0.093 0.000 2.363 275 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.286 275 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.286 275 G C 0.113 174.876 174.900 -0.228 0.000 0.975 275 G CA 0.110 45.134 45.100 -0.127 0.000 1.309 275 G HN 0.417 nan 8.290 nan 0.000 0.491 276 I N -0.631 119.684 120.570 -0.425 0.000 3.378 276 I HA 0.338 4.508 4.170 -0.000 0.000 0.284 276 I C 0.655 176.444 176.117 -0.548 0.000 1.157 276 I CA -0.338 60.641 61.300 -0.535 0.000 1.193 276 I CB 0.441 37.921 38.000 -0.866 0.000 1.461 276 I HN 0.065 nan 8.210 nan 0.000 0.674 277 E N 1.385 121.329 120.200 -0.427 0.000 2.183 277 E HA 0.100 4.450 4.350 -0.000 0.000 0.250 277 E C -0.029 176.445 176.600 -0.211 0.000 0.901 277 E CA -0.311 55.942 56.400 -0.244 0.000 0.741 277 E CB 0.850 30.480 29.700 -0.116 0.000 1.182 277 E HN 0.513 nan 8.360 nan 0.000 0.425 278 W N 1.648 122.948 121.300 -0.000 0.000 2.296 278 W HA -0.256 4.404 4.660 -0.000 0.000 0.296 278 W C 2.081 178.599 176.519 -0.000 0.000 1.220 278 W CA 1.271 58.616 57.345 0.001 0.000 1.223 278 W CB 0.019 29.480 29.460 0.002 0.000 1.139 278 W HN 0.567 nan 8.180 nan 0.000 0.534 279 E N 0.582 120.884 120.200 0.170 0.000 2.051 279 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 279 E C 2.288 178.924 176.600 0.060 0.000 0.991 279 E CA 1.887 58.347 56.400 0.101 0.000 0.799 279 E CB -0.487 29.250 29.700 0.061 0.000 0.748 279 E HN 0.112 nan 8.360 nan 0.000 0.449 280 A N 0.891 123.724 122.820 0.021 0.000 1.940 280 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 280 A C 2.280 179.866 177.584 0.004 0.000 1.176 280 A CA 1.460 53.494 52.037 -0.004 0.000 0.631 280 A CB -0.867 18.109 19.000 -0.041 0.000 0.814 280 A HN 0.450 nan 8.150 nan 0.000 0.446 281 L N -0.897 120.332 121.223 0.010 0.000 2.191 281 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 281 L C 2.265 179.174 176.870 0.064 0.000 1.103 281 L CA 0.988 55.847 54.840 0.032 0.000 0.769 281 L CB -0.126 41.972 42.059 0.066 0.000 0.908 281 L HN 0.434 nan 8.230 nan 0.000 0.438 282 L N -2.072 119.194 121.223 0.072 0.000 2.068 282 L HA -0.134 4.206 4.340 -0.000 0.000 0.204 282 L C 2.372 179.261 176.870 0.032 0.000 1.076 282 L CA 0.536 55.409 54.840 0.056 0.000 0.753 282 L CB -0.345 41.746 42.059 0.053 0.000 0.910 282 L HN 0.013 nan 8.230 nan 0.000 0.439 283 V N -0.184 119.746 119.914 0.027 0.000 2.233 283 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 283 V C 2.520 178.637 176.094 0.039 0.000 1.050 283 V CA 1.754 64.068 62.300 0.023 0.000 1.010 283 V CB -0.530 31.303 31.823 0.016 0.000 0.637 283 V HN 0.436 nan 8.190 nan 0.000 0.444 284 E N -0.554 119.666 120.200 0.033 0.000 2.160 284 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 284 E C 2.114 178.748 176.600 0.056 0.000 0.991 284 E CA 1.337 57.760 56.400 0.039 0.000 0.810 284 E CB -0.328 29.386 29.700 0.022 0.000 0.742 284 E HN 0.565 nan 8.360 nan 0.000 0.466 285 M N -0.120 119.514 119.600 0.057 0.000 2.200 285 M HA -0.074 4.406 4.480 -0.000 0.000 0.265 285 M C 2.318 178.683 176.300 0.108 0.000 1.066 285 M CA 0.849 56.190 55.300 0.068 0.000 1.127 285 M CB -0.157 32.479 32.600 0.060 0.000 1.379 285 M HN 0.074 nan 8.290 nan 0.000 0.420 286 L N -0.601 120.689 121.223 0.111 0.000 1.976 286 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 286 L C 2.679 179.739 176.870 0.316 0.000 1.071 286 L CA 1.573 56.538 54.840 0.207 0.000 0.746 286 L CB -1.315 40.787 42.059 0.071 0.000 0.890 286 L HN 0.366 nan 8.230 nan 0.000 0.432 287 G N -0.187 108.733 108.800 0.200 0.000 2.442 287 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 287 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 287 G C 1.654 176.672 174.900 0.197 0.000 1.141 287 G CA 0.666 45.881 45.100 0.192 0.000 0.763 287 G HN 0.217 nan 8.290 nan 0.000 0.554 288 L N -0.268 121.036 121.223 0.135 0.000 2.046 288 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 288 L C 2.894 179.822 176.870 0.095 0.000 1.077 288 L CA 0.589 55.484 54.840 0.092 0.000 0.747 288 L CB -0.277 41.818 42.059 0.059 0.000 0.896 288 L HN 0.201 nan 8.230 nan 0.000 0.432 289 L N -1.155 120.154 121.223 0.143 0.000 2.141 289 L HA -0.248 4.092 4.340 -0.000 0.000 0.209 289 L C 2.605 179.532 176.870 0.093 0.000 1.094 289 L CA 1.047 55.969 54.840 0.137 0.000 0.763 289 L CB -0.579 41.629 42.059 0.248 0.000 0.908 289 L HN 0.361 nan 8.230 nan 0.000 0.437 290 H N 0.272 119.348 119.070 0.010 0.000 2.293 290 H HA -0.138 4.418 4.556 -0.000 0.000 0.300 290 H C 2.427 177.720 175.328 -0.058 0.000 1.082 290 H CA 1.709 57.696 56.048 -0.103 0.000 1.308 290 H CB 0.059 29.780 29.762 -0.068 0.000 1.375 290 H HN 0.020 nan 8.280 nan 0.000 0.495 291 R N -0.165 120.269 120.500 -0.110 0.000 2.105 291 R HA -0.091 4.249 4.340 -0.000 0.000 0.239 291 R C 2.445 178.657 176.300 -0.146 0.000 1.135 291 R CA 1.647 57.638 56.100 -0.182 0.000 0.967 291 R CB -0.229 30.047 30.300 -0.041 0.000 0.861 291 R HN 0.448 nan 8.270 nan 0.000 0.442 292 I N 0.108 120.630 120.570 -0.081 0.000 2.394 292 I HA -0.221 3.949 4.170 -0.000 0.000 0.251 292 I C 2.501 178.570 176.117 -0.080 0.000 1.136 292 I CA 1.019 62.283 61.300 -0.060 0.000 1.425 292 I CB -0.344 37.640 38.000 -0.027 0.000 1.079 292 I HN 0.167 nan 8.210 nan 0.000 0.425 293 A N 0.881 123.632 122.820 -0.115 0.000 1.898 293 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 293 A C 2.398 179.898 177.584 -0.140 0.000 1.181 293 A CA 1.206 53.172 52.037 -0.117 0.000 0.620 293 A CB -0.347 18.570 19.000 -0.138 0.000 0.819 293 A HN 0.230 nan 8.150 nan 0.000 0.442 294 M N -0.382 119.088 119.600 -0.218 0.000 2.086 294 M HA -0.106 4.374 4.480 -0.000 0.000 0.261 294 M C 2.163 178.395 176.300 -0.113 0.000 1.067 294 M CA 1.310 56.496 55.300 -0.191 0.000 1.116 294 M CB -1.197 31.239 32.600 -0.272 0.000 1.348 294 M HN 0.227 nan 8.290 nan 0.000 0.407 295 V N 0.592 120.444 119.914 -0.102 0.000 2.688 295 V HA -0.252 3.868 4.120 -0.000 0.000 0.256 295 V C 2.102 178.167 176.094 -0.049 0.000 1.084 295 V CA 1.475 63.736 62.300 -0.064 0.000 1.103 295 V CB -0.932 30.859 31.823 -0.054 0.000 0.688 295 V HN 0.565 nan 8.190 nan 0.000 0.480 296 Q N -1.221 118.548 119.800 -0.052 0.000 2.432 296 Q HA 0.016 4.356 4.340 -0.000 0.000 0.205 296 Q C 1.887 177.867 176.000 -0.033 0.000 0.945 296 Q CA 0.544 56.326 55.803 -0.035 0.000 0.924 296 Q CB 0.136 28.856 28.738 -0.030 0.000 1.016 296 Q HN 0.512 nan 8.270 nan 0.000 0.503 297 L N -0.272 120.926 121.223 -0.043 0.000 2.265 297 L HA 0.108 4.448 4.340 -0.000 0.000 0.195 297 L C 0.418 177.270 176.870 -0.031 0.000 1.083 297 L CA 1.006 55.824 54.840 -0.036 0.000 0.798 297 L CB 0.475 42.508 42.059 -0.044 0.000 0.989 297 L HN -0.020 nan 8.230 nan 0.000 0.472 298 S N -0.139 115.539 115.700 -0.036 0.000 2.718 298 S HA 0.438 4.908 4.470 -0.000 0.000 0.294 298 S C -1.894 172.688 174.600 -0.030 0.000 1.157 298 S CA -1.241 56.941 58.200 -0.029 0.000 1.121 298 S CB 0.940 64.124 63.200 -0.027 0.000 1.015 298 S HN 0.187 nan 8.310 nan 0.000 0.479 299 P HA -0.127 nan 4.420 nan 0.000 0.227 299 P C 1.029 178.318 177.300 -0.020 0.000 1.145 299 P CA 1.087 64.174 63.100 -0.021 0.000 0.769 299 P CB -0.056 31.634 31.700 -0.016 0.000 0.769 300 A N -0.372 122.437 122.820 -0.019 0.000 2.251 300 A HA 0.384 4.704 4.320 -0.000 0.000 0.209 300 A C 2.325 179.898 177.584 -0.018 0.000 1.187 300 A CA 0.698 52.726 52.037 -0.015 0.000 0.823 300 A CB -0.785 18.208 19.000 -0.012 0.000 0.846 300 A HN 0.199 nan 8.150 nan 0.000 0.486 301 A N 0.298 123.101 122.820 -0.028 0.000 1.948 301 A HA 0.000 4.320 4.320 -0.000 0.000 0.220 301 A C 1.122 178.689 177.584 -0.028 0.000 1.177 301 A CA 0.598 52.614 52.037 -0.035 0.000 0.636 301 A CB -0.685 18.278 19.000 -0.062 0.000 0.815 301 A HN 0.495 nan 8.150 nan 0.000 0.449 302 L N 0.154 121.363 121.223 -0.024 0.000 2.559 302 L HA 0.197 4.537 4.340 -0.000 0.000 0.282 302 L C 1.309 178.177 176.870 -0.004 0.000 1.232 302 L CA -0.145 54.687 54.840 -0.014 0.000 0.885 302 L CB -0.075 41.977 42.059 -0.012 0.000 1.131 302 L HN 0.360 nan 8.230 nan 0.000 0.498 303 G N 1.423 110.225 108.800 0.004 0.000 2.616 303 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.268 303 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.268 303 G C 0.722 175.627 174.900 0.009 0.000 1.213 303 G CA -0.423 44.683 45.100 0.010 0.000 0.926 303 G HN 0.789 nan 8.290 nan 0.000 0.523 304 N N -0.573 118.135 118.700 0.012 0.000 2.106 304 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 304 N C 1.358 176.873 175.510 0.009 0.000 1.029 304 N CA 1.188 54.244 53.050 0.010 0.000 0.848 304 N CB 0.031 38.526 38.487 0.013 0.000 1.007 304 N HN 0.502 nan 8.380 nan 0.000 0.423 305 D N 0.238 120.646 120.400 0.013 0.000 2.363 305 D HA 0.006 4.646 4.640 -0.000 0.000 0.220 305 D C 1.704 178.009 176.300 0.008 0.000 0.994 305 D CA 0.109 54.115 54.000 0.010 0.000 0.890 305 D CB 0.035 40.844 40.800 0.015 0.000 0.906 305 D HN 0.196 nan 8.370 nan 0.000 0.530 306 M N -0.059 119.546 119.600 0.008 0.000 2.446 306 M HA -0.038 4.442 4.480 -0.000 0.000 0.263 306 M C 2.094 178.396 176.300 0.003 0.000 1.066 306 M CA 0.362 55.666 55.300 0.007 0.000 1.087 306 M CB -0.843 31.760 32.600 0.006 0.000 1.406 306 M HN 0.026 nan 8.290 nan 0.000 0.459 307 A N 0.737 123.558 122.820 0.002 0.000 1.997 307 A HA -0.161 4.159 4.320 -0.000 0.000 0.221 307 A C 2.453 180.037 177.584 -0.001 0.000 1.172 307 A CA 2.176 54.212 52.037 -0.001 0.000 0.645 307 A CB -0.768 18.232 19.000 -0.001 0.000 0.813 307 A HN 0.510 nan 8.150 nan 0.000 0.454 308 A N 0.090 122.910 122.820 -0.001 0.000 1.933 308 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 308 A C 2.035 179.618 177.584 -0.001 0.000 1.175 308 A CA 1.566 53.602 52.037 -0.001 0.000 0.628 308 A CB -0.533 18.466 19.000 -0.001 0.000 0.814 308 A HN 1.200 nan 8.150 nan 0.000 0.444 309 I N -2.838 117.732 120.570 0.000 0.000 3.956 309 I HA 0.240 4.410 4.170 -0.000 0.000 0.333 309 I C 1.478 177.594 176.117 -0.001 0.000 1.302 309 I CA 0.868 62.167 61.300 -0.000 0.000 1.122 309 I CB -0.004 37.997 38.000 0.001 0.000 1.013 309 I HN 0.386 nan 8.210 nan 0.000 0.405 310 E N 1.443 121.642 120.200 -0.002 0.000 2.130 310 E HA -0.283 4.067 4.350 -0.000 0.000 0.196 310 E C 2.067 178.664 176.600 -0.004 0.000 0.998 310 E CA 1.898 58.296 56.400 -0.004 0.000 0.806 310 E CB -0.072 29.626 29.700 -0.003 0.000 0.738 310 E HN 0.625 nan 8.360 nan 0.000 0.459 311 L N 0.725 121.946 121.223 -0.003 0.000 2.056 311 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 311 L C 2.302 179.170 176.870 -0.004 0.000 1.078 311 L CA 1.645 56.483 54.840 -0.003 0.000 0.749 311 L CB -0.178 41.879 42.059 -0.002 0.000 0.901 311 L HN -0.013 nan 8.230 nan 0.000 0.433 312 R N -1.726 118.772 120.500 -0.004 0.000 2.073 312 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 312 R C 2.195 178.491 176.300 -0.007 0.000 1.120 312 R CA 1.461 57.558 56.100 -0.004 0.000 0.967 312 R CB -0.318 29.980 30.300 -0.004 0.000 0.862 312 R HN 0.261 nan 8.270 nan 0.000 0.436 313 M N 0.418 120.014 119.600 -0.007 0.000 2.080 313 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 313 M C 2.051 178.343 176.300 -0.012 0.000 1.068 313 M CA 1.736 57.031 55.300 -0.010 0.000 1.109 313 M CB -0.765 31.829 32.600 -0.009 0.000 1.342 313 M HN 0.114 nan 8.290 nan 0.000 0.405 314 R N -0.465 120.029 120.500 -0.010 0.000 2.115 314 R HA -0.169 4.171 4.340 -0.000 0.000 0.230 314 R C 2.125 178.421 176.300 -0.008 0.000 1.111 314 R CA 1.270 57.364 56.100 -0.010 0.000 0.976 314 R CB -0.215 30.080 30.300 -0.008 0.000 0.870 314 R HN 0.333 nan 8.270 nan 0.000 0.445 315 E N 1.174 121.371 120.200 -0.006 0.000 2.028 315 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 315 E C 1.883 178.482 176.600 -0.002 0.000 0.988 315 E CA 1.159 57.557 56.400 -0.003 0.000 0.799 315 E CB -0.237 29.462 29.700 -0.001 0.000 0.755 315 E HN 0.176 nan 8.360 nan 0.000 0.447 316 L N 0.270 121.490 121.223 -0.006 0.000 1.990 316 L HA -0.282 4.058 4.340 -0.000 0.000 0.213 316 L C 2.596 179.463 176.870 -0.004 0.000 1.072 316 L CA 1.435 56.270 54.840 -0.008 0.000 0.755 316 L CB -0.908 41.139 42.059 -0.020 0.000 0.889 316 L HN 0.257 nan 8.230 nan 0.000 0.432 317 A N 1.189 124.004 122.820 -0.009 0.000 1.929 317 A HA -0.316 4.004 4.320 -0.000 0.000 0.221 317 A C 2.282 179.863 177.584 -0.004 0.000 1.211 317 A CA 2.818 54.849 52.037 -0.010 0.000 0.657 317 A CB -0.717 18.273 19.000 -0.017 0.000 0.827 317 A HN 0.637 nan 8.150 nan 0.000 0.462 318 R N -0.887 119.612 120.500 -0.002 0.000 2.210 318 R HA 0.025 4.365 4.340 -0.000 0.000 0.203 318 R C 1.745 178.051 176.300 0.009 0.000 1.010 318 R CA 1.683 57.784 56.100 0.002 0.000 1.008 318 R CB -0.977 29.323 30.300 0.001 0.000 0.923 318 R HN 0.491 nan 8.270 nan 0.000 0.469 319 T N -1.511 113.050 114.554 0.012 0.000 3.044 319 T HA 0.281 4.631 4.350 -0.000 0.000 0.255 319 T C 0.858 175.577 174.700 0.031 0.000 1.073 319 T CA 0.002 62.114 62.100 0.020 0.000 1.125 319 T CB -0.041 68.839 68.868 0.020 0.000 0.908 319 T HN 0.110 nan 8.240 nan 0.000 0.480 320 I N 2.865 123.454 120.570 0.030 0.000 2.321 320 I HA 0.375 4.545 4.170 -0.000 0.000 0.291 320 I C -2.662 173.484 176.117 0.047 0.000 0.998 320 I CA -2.957 58.373 61.300 0.049 0.000 1.227 320 I CB 1.521 39.549 38.000 0.047 0.000 1.368 320 I HN -0.121 nan 8.210 nan 0.000 0.466 321 P HA 0.018 nan 4.420 nan 0.000 0.264 321 P C -1.801 175.525 177.300 0.043 0.000 1.193 321 P CA -0.889 62.233 63.100 0.038 0.000 0.763 321 P CB 0.124 31.845 31.700 0.036 0.000 0.810 322 P HA -0.202 nan 4.420 nan 0.000 0.218 322 P C 1.205 178.520 177.300 0.025 0.000 1.146 322 P CA 1.675 64.788 63.100 0.021 0.000 0.813 322 P CB -0.189 31.513 31.700 0.003 0.000 0.778 323 T N 0.263 114.826 114.554 0.015 0.000 2.674 323 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 323 T C 1.374 176.071 174.700 -0.005 0.000 1.039 323 T CA 2.014 64.115 62.100 0.001 0.000 1.150 323 T CB -0.871 67.994 68.868 -0.006 0.000 0.864 323 T HN 0.130 nan 8.240 nan 0.000 0.427 324 D N 0.921 121.324 120.400 0.004 0.000 2.104 324 D HA -0.033 4.607 4.640 -0.000 0.000 0.194 324 D C 2.009 178.370 176.300 0.102 0.000 0.994 324 D CA 0.799 54.783 54.000 -0.027 0.000 0.830 324 D CB -0.453 40.395 40.800 0.079 0.000 0.959 324 D HN 0.358 nan 8.370 nan 0.000 0.452 325 I N 0.637 121.331 120.570 0.207 0.000 2.454 325 I HA -0.240 3.930 4.170 -0.000 0.000 0.254 325 I C 2.259 178.502 176.117 0.210 0.000 1.156 325 I CA 0.841 62.306 61.300 0.275 0.000 1.433 325 I CB -0.078 38.002 38.000 0.134 0.000 1.082 325 I HN 0.009 nan 8.210 nan 0.000 0.432 326 Q N 0.183 120.046 119.800 0.105 0.000 2.123 326 Q HA -0.158 4.182 4.340 -0.000 0.000 0.199 326 Q C 2.210 178.269 176.000 0.100 0.000 0.966 326 Q CA 1.239 57.099 55.803 0.095 0.000 0.845 326 Q CB -0.348 28.413 28.738 0.039 0.000 0.907 326 Q HN 0.475 nan 8.270 nan 0.000 0.439 327 L N -0.592 120.624 121.223 -0.012 0.000 1.994 327 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 327 L C 1.969 178.798 176.870 -0.068 0.000 1.071 327 L CA 1.851 56.622 54.840 -0.116 0.000 0.745 327 L CB -1.401 40.495 42.059 -0.271 0.000 0.892 327 L HN 0.029 nan 8.230 nan 0.000 0.431 328 Y N -1.155 119.170 120.300 0.042 0.000 2.165 328 Y HA -0.282 4.268 4.550 -0.000 0.000 0.286 328 Y C 2.644 178.598 175.900 0.089 0.000 1.155 328 Y CA 2.380 60.512 58.100 0.054 0.000 1.164 328 Y CB -1.246 37.246 38.460 0.054 0.000 0.978 328 Y HN 0.349 nan 8.280 nan 0.000 0.513 329 Y N 0.736 121.136 120.300 0.167 0.000 2.242 329 Y HA -0.271 4.279 4.550 -0.000 0.000 0.291 329 Y C 2.592 178.527 175.900 0.059 0.000 1.137 329 Y CA 1.877 60.039 58.100 0.104 0.000 1.181 329 Y CB -0.380 38.134 38.460 0.091 0.000 0.989 329 Y HN 0.215 nan 8.280 nan 0.000 0.527 330 Q N -0.741 119.116 119.800 0.094 0.000 2.049 330 Q HA -0.145 4.195 4.340 -0.000 0.000 0.198 330 Q C 2.039 177.993 176.000 -0.076 0.000 0.971 330 Q CA 2.277 58.072 55.803 -0.013 0.000 0.833 330 Q CB -0.163 28.586 28.738 0.019 0.000 0.896 330 Q HN 0.434 nan 8.270 nan 0.000 0.434 331 T N 1.601 116.126 114.554 -0.048 0.000 2.635 331 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 331 T C 1.742 176.420 174.700 -0.035 0.000 1.040 331 T CA 1.558 63.632 62.100 -0.044 0.000 1.156 331 T CB -0.333 68.537 68.868 0.002 0.000 0.863 331 T HN 0.260 nan 8.240 nan 0.000 0.430 332 L N -0.018 121.187 121.223 -0.031 0.000 2.201 332 L HA -0.003 4.337 4.340 -0.000 0.000 0.212 332 L C 2.407 179.205 176.870 -0.120 0.000 1.105 332 L CA 0.591 55.402 54.840 -0.048 0.000 0.775 332 L CB -0.463 41.581 42.059 -0.025 0.000 0.913 332 L HN 0.205 nan 8.230 nan 0.000 0.440 333 L N -0.023 121.070 121.223 -0.217 0.000 2.049 333 L HA -0.116 4.224 4.340 -0.000 0.000 0.203 333 L C 2.348 179.152 176.870 -0.109 0.000 1.074 333 L CA 1.450 56.154 54.840 -0.226 0.000 0.749 333 L CB -0.178 41.684 42.059 -0.328 0.000 0.907 333 L HN 0.008 nan 8.230 nan 0.000 0.439 334 I N -0.104 120.411 120.570 -0.092 0.000 2.236 334 I HA -0.314 3.856 4.170 -0.000 0.000 0.249 334 I C 2.321 178.421 176.117 -0.029 0.000 1.102 334 I CA 1.543 62.811 61.300 -0.054 0.000 1.365 334 I CB -0.896 37.067 38.000 -0.062 0.000 1.051 334 I HN 0.488 nan 8.210 nan 0.000 0.420 335 G N -0.070 108.713 108.800 -0.028 0.000 2.470 335 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 335 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 335 G C 1.759 176.667 174.900 0.012 0.000 1.121 335 G CA 0.447 45.547 45.100 -0.000 0.000 0.766 335 G HN 0.323 nan 8.290 nan 0.000 0.553 336 R N 0.304 120.801 120.500 -0.005 0.000 2.127 336 R HA 0.105 4.445 4.340 -0.000 0.000 0.217 336 R C 2.360 178.678 176.300 0.031 0.000 1.074 336 R CA 0.799 56.904 56.100 0.008 0.000 0.991 336 R CB -0.128 30.161 30.300 -0.018 0.000 0.895 336 R HN 0.241 nan 8.270 nan 0.000 0.450 337 K N 0.474 120.891 120.400 0.029 0.000 2.026 337 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 337 K C 1.898 178.582 176.600 0.141 0.000 1.048 337 K CA 1.912 58.238 56.287 0.065 0.000 0.929 337 K CB -0.046 32.473 32.500 0.032 0.000 0.713 337 K HN 0.336 nan 8.250 nan 0.000 0.439 338 E N 1.057 121.324 120.200 0.112 0.000 2.031 338 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 338 E C 2.008 178.720 176.600 0.187 0.000 0.994 338 E CA 0.821 57.320 56.400 0.165 0.000 0.800 338 E CB -0.320 29.427 29.700 0.078 0.000 0.752 338 E HN 0.069 nan 8.360 nan 0.000 0.447 339 L N 1.425 122.704 121.223 0.093 0.000 2.223 339 L HA -0.252 4.088 4.340 -0.000 0.000 0.230 339 L C -0.907 175.965 176.870 0.003 0.000 1.110 339 L CA 2.424 57.293 54.840 0.048 0.000 0.834 339 L CB -1.225 40.859 42.059 0.040 0.000 0.915 339 L HN 0.117 nan 8.230 nan 0.000 0.450 340 P HA -0.074 nan 4.420 nan 0.000 0.229 340 P C 0.755 177.861 177.300 -0.324 0.000 1.160 340 P CA 1.244 64.197 63.100 -0.245 0.000 0.777 340 P CB -0.052 31.397 31.700 -0.418 0.000 0.814 341 Y N -0.701 119.597 120.300 -0.004 0.000 2.497 341 Y HA 0.358 4.908 4.550 -0.000 0.000 0.265 341 Y C 1.501 177.394 175.900 -0.011 0.000 1.111 341 Y CA -0.460 57.636 58.100 -0.006 0.000 1.288 341 Y CB -0.703 37.753 38.460 -0.006 0.000 1.082 341 Y HN -0.182 nan 8.280 nan 0.000 0.536 342 A N 2.353 125.237 122.820 0.107 0.000 2.466 342 A HA 0.069 4.389 4.320 -0.000 0.000 0.238 342 A C -0.958 176.635 177.584 0.016 0.000 1.074 342 A CA -0.904 51.161 52.037 0.048 0.000 0.774 342 A CB -0.190 18.817 19.000 0.013 0.000 1.015 342 A HN 0.166 nan 8.150 nan 0.000 0.498 343 P HA -0.095 nan 4.420 nan 0.000 0.219 343 P C -0.018 177.265 177.300 -0.029 0.000 1.146 343 P CA 1.882 64.977 63.100 -0.009 0.000 0.808 343 P CB -0.037 31.655 31.700 -0.012 0.000 0.779 344 D N -2.435 117.934 120.400 -0.052 0.000 2.937 344 D HA 0.161 4.801 4.640 -0.000 0.000 0.215 344 D C 1.155 177.382 176.300 -0.122 0.000 1.274 344 D CA -0.739 53.213 54.000 -0.080 0.000 0.869 344 D CB 1.282 42.027 40.800 -0.093 0.000 1.675 344 D HN -0.387 nan 8.370 nan 0.000 0.538 345 R N 1.889 122.324 120.500 -0.107 0.000 2.096 345 R HA -0.169 4.171 4.340 -0.000 0.000 0.240 345 R C 1.995 178.084 176.300 -0.352 0.000 1.139 345 R CA 1.452 57.484 56.100 -0.113 0.000 0.952 345 R CB -0.224 30.098 30.300 0.037 0.000 0.854 345 R HN 0.509 nan 8.270 nan 0.000 0.436 346 R N 0.499 120.565 120.500 -0.724 0.000 2.152 346 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 346 R C 2.229 178.103 176.300 -0.710 0.000 1.117 346 R CA 1.306 56.584 56.100 -1.371 0.000 0.981 346 R CB -0.080 29.433 30.300 -1.313 0.000 0.870 346 R HN 0.218 nan 8.270 nan 0.000 0.451 347 M N -0.583 118.782 119.600 -0.391 0.000 2.193 347 M HA -0.010 4.470 4.480 -0.000 0.000 0.265 347 M C 2.034 178.242 176.300 -0.154 0.000 1.071 347 M CA 1.697 56.860 55.300 -0.228 0.000 1.140 347 M CB -0.181 32.330 32.600 -0.149 0.000 1.369 347 M HN 0.366 nan 8.290 nan 0.000 0.423 348 G N -0.167 108.558 108.800 -0.125 0.000 2.469 348 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 348 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 348 G C 1.257 176.131 174.900 -0.043 0.000 1.150 348 G CA 1.346 46.413 45.100 -0.054 0.000 0.763 348 G HN 0.410 nan 8.290 nan 0.000 0.561 349 V N 0.670 120.540 119.914 -0.074 0.000 2.515 349 V HA -0.142 3.978 4.120 -0.000 0.000 0.250 349 V C 2.574 178.658 176.094 -0.016 0.000 1.058 349 V CA 2.081 64.376 62.300 -0.008 0.000 1.064 349 V CB -0.492 31.371 31.823 0.067 0.000 0.675 349 V HN 0.486 nan 8.190 nan 0.000 0.461 350 E N -0.322 119.828 120.200 -0.084 0.000 2.107 350 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 350 E C 2.091 178.686 176.600 -0.009 0.000 0.982 350 E CA 1.302 57.673 56.400 -0.048 0.000 0.809 350 E CB -0.196 29.448 29.700 -0.093 0.000 0.756 350 E HN 0.475 nan 8.360 nan 0.000 0.459 351 M N 0.702 120.293 119.600 -0.016 0.000 2.200 351 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 351 M C 2.094 178.418 176.300 0.040 0.000 1.066 351 M CA 1.536 56.843 55.300 0.011 0.000 1.127 351 M CB -0.169 32.432 32.600 0.002 0.000 1.379 351 M HN -0.096 nan 8.290 nan 0.000 0.420 352 T N 0.628 115.203 114.554 0.035 0.000 2.759 352 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 352 T C 1.745 176.492 174.700 0.078 0.000 1.042 352 T CA 1.577 63.707 62.100 0.051 0.000 1.140 352 T CB -0.349 68.543 68.868 0.041 0.000 0.864 352 T HN 0.355 nan 8.240 nan 0.000 0.455 353 L N 0.075 121.343 121.223 0.076 0.000 2.095 353 L HA 0.141 4.481 4.340 -0.000 0.000 0.204 353 L C 2.296 179.231 176.870 0.108 0.000 1.080 353 L CA 0.768 55.667 54.840 0.099 0.000 0.759 353 L CB -0.340 41.771 42.059 0.086 0.000 0.914 353 L HN 0.211 nan 8.230 nan 0.000 0.439 354 L N -0.571 120.699 121.223 0.079 0.000 2.353 354 L HA -0.203 4.137 4.340 -0.000 0.000 0.220 354 L C 2.662 179.593 176.870 0.102 0.000 1.133 354 L CA 0.871 55.755 54.840 0.073 0.000 0.798 354 L CB -0.395 41.689 42.059 0.041 0.000 0.922 354 L HN 0.269 nan 8.230 nan 0.000 0.445 355 R N -0.196 120.392 120.500 0.146 0.000 2.057 355 R HA -0.039 4.301 4.340 -0.000 0.000 0.224 355 R C 2.452 178.939 176.300 0.312 0.000 1.136 355 R CA 1.084 57.338 56.100 0.256 0.000 0.968 355 R CB -0.204 30.232 30.300 0.227 0.000 0.863 355 R HN 0.288 nan 8.270 nan 0.000 0.433 356 A N 1.058 124.015 122.820 0.227 0.000 1.948 356 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 356 A C 1.926 179.679 177.584 0.283 0.000 1.177 356 A CA 1.244 53.427 52.037 0.243 0.000 0.636 356 A CB -0.431 18.733 19.000 0.274 0.000 0.815 356 A HN 0.193 nan 8.150 nan 0.000 0.449 357 L N -0.858 120.503 121.223 0.231 0.000 2.072 357 L HA -0.003 4.337 4.340 -0.000 0.000 0.205 357 L C 2.894 179.843 176.870 0.131 0.000 1.079 357 L CA 1.845 56.803 54.840 0.195 0.000 0.752 357 L CB -1.154 40.973 42.059 0.114 0.000 0.906 357 L HN 0.393 nan 8.230 nan 0.000 0.436 358 A N -2.070 120.787 122.820 0.062 0.000 2.014 358 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 358 A C 1.614 179.062 177.584 -0.227 0.000 1.163 358 A CA 0.958 52.919 52.037 -0.126 0.000 0.652 358 A CB -0.594 18.252 19.000 -0.258 0.000 0.808 358 A HN 0.364 nan 8.150 nan 0.000 0.449 359 F N -0.903 119.078 119.950 0.051 0.000 2.684 359 F HA 0.220 4.747 4.527 -0.000 0.000 0.298 359 F C 0.687 176.493 175.800 0.010 0.000 1.120 359 F CA -0.631 57.379 58.000 0.016 0.000 1.332 359 F CB -0.256 38.730 39.000 -0.023 0.000 0.986 359 F HN 0.309 nan 8.300 nan 0.000 0.524 360 H N 3.340 122.472 119.070 0.104 0.000 2.964 360 H HA 0.036 4.592 4.556 -0.000 0.000 0.328 360 H C -1.342 174.012 175.328 0.042 0.000 1.030 360 H CA -1.156 54.936 56.048 0.073 0.000 1.445 360 H CB 1.075 30.905 29.762 0.113 0.000 1.449 360 H HN -0.070 nan 8.280 nan 0.000 0.581 361 P HA -0.140 nan 4.420 nan 0.000 0.217 361 P C 0.908 178.289 177.300 0.134 0.000 1.151 361 P CA 1.069 64.159 63.100 -0.016 0.000 0.828 361 P CB 0.511 32.123 31.700 -0.146 0.000 0.788 362 R N -1.113 119.581 120.500 0.324 0.000 2.223 362 R HA 0.355 4.695 4.340 -0.000 0.000 0.198 362 R C 1.003 177.433 176.300 0.217 0.000 0.984 362 R CA 0.394 56.658 56.100 0.274 0.000 1.018 362 R CB -0.214 30.259 30.300 0.289 0.000 0.945 362 R HN 0.345 nan 8.270 nan 0.000 0.479 363 M N -0.074 119.686 119.600 0.266 0.000 2.389 363 M HA 0.334 4.814 4.480 -0.000 0.000 0.291 363 M C -2.852 173.448 176.300 0.001 0.000 1.128 363 M CA -1.456 53.862 55.300 0.030 0.000 0.942 363 M CB 3.867 36.406 32.600 -0.102 0.000 1.783 363 M HN -0.183 nan 8.290 nan 0.000 0.501 364 P HA 0.562 nan 4.420 nan 0.000 0.300 364 P C -1.605 175.673 177.300 -0.036 0.000 1.233 364 P CA -0.818 62.287 63.100 0.009 0.000 1.182 364 P CB 1.586 33.302 31.700 0.028 0.000 1.704 365 L N 1.755 122.948 121.223 -0.049 0.000 2.513 365 L HA 0.248 4.588 4.340 -0.000 0.000 0.272 365 L C -1.296 175.537 176.870 -0.062 0.000 1.187 365 L CA -0.987 53.820 54.840 -0.056 0.000 0.895 365 L CB -0.541 41.480 42.059 -0.063 0.000 1.147 365 L HN 0.300 nan 8.230 nan 0.000 0.483 366 P HA 0.454 nan 4.420 nan 0.000 0.280 366 P C -0.901 176.376 177.300 -0.039 0.000 1.272 366 P CA -0.570 62.506 63.100 -0.040 0.000 0.819 366 P CB 1.926 33.609 31.700 -0.030 0.000 1.122 367 E N -0.354 119.827 120.200 -0.033 0.000 2.401 367 E HA 0.403 4.753 4.350 -0.000 0.000 0.280 367 E C -2.113 174.474 176.600 -0.022 0.000 1.039 367 E CA -0.984 55.398 56.400 -0.029 0.000 0.814 367 E CB 1.545 31.224 29.700 -0.035 0.000 1.275 367 E HN 0.587 nan 8.360 nan 0.000 0.448 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.092 63.100 -0.014 0.000 0.800 368 P CB 0.000 31.692 31.700 -0.012 0.000 0.726