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 3glh_1_M 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 FHLKXLDVEQ IRHQLEHILN EEHIAHEPRA DATA SEQUENCE LQLLARAAEG SLRDALSLTD QAIASGDGQV STQAVSAMLX 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 0.000 175.914 175.900 0.023 0.000 1.272 3 Y CA 0.000 58.111 58.100 0.018 0.000 1.940 3 Y CB 0.000 38.467 38.460 0.012 0.000 1.050 4 Q N 2.830 122.730 119.800 0.167 0.000 3.513 4 Q HA 0.196 4.536 4.340 0.000 0.000 0.135 4 Q C -1.720 174.336 176.000 0.093 0.000 0.971 4 Q CA -0.498 55.349 55.803 0.073 0.000 1.273 4 Q CB 1.605 30.379 28.738 0.059 0.000 1.565 4 Q HN 0.928 nan 8.270 nan 0.000 0.600 5 V N 1.116 121.074 119.914 0.074 0.000 2.398 5 V HA 0.458 4.578 4.120 0.000 0.000 0.286 5 V C 1.439 177.597 176.094 0.107 0.000 1.026 5 V CA -0.703 61.643 62.300 0.077 0.000 0.868 5 V CB 1.013 32.867 31.823 0.051 0.000 0.982 5 V HN 0.948 nan 8.190 nan 0.000 0.443 6 L N 3.324 124.625 121.223 0.129 0.000 2.123 6 L HA -0.294 4.046 4.340 0.000 0.000 0.217 6 L C 2.781 179.767 176.870 0.194 0.000 1.081 6 L CA 2.282 57.245 54.840 0.204 0.000 0.772 6 L CB -0.830 41.225 42.059 -0.005 0.000 0.890 6 L HN 0.898 nan 8.230 nan 0.000 0.437 7 A N -0.513 122.362 122.820 0.092 0.000 2.131 7 A HA -0.219 4.101 4.320 0.000 0.000 0.220 7 A C 2.501 180.138 177.584 0.089 0.000 1.158 7 A CA 1.891 53.971 52.037 0.073 0.000 0.665 7 A CB -0.489 18.533 19.000 0.036 0.000 0.795 7 A HN 0.488 nan 8.150 nan 0.000 0.460 8 R N -0.930 119.628 120.500 0.095 0.000 2.191 8 R HA 0.125 4.465 4.340 0.000 0.000 0.196 8 R C 2.017 178.352 176.300 0.057 0.000 0.991 8 R CA 0.745 56.881 56.100 0.059 0.000 1.075 8 R CB -0.183 30.132 30.300 0.024 0.000 1.040 8 R HN 0.385 nan 8.270 nan 0.000 0.526 9 K N -0.398 120.063 120.400 0.102 0.000 2.283 9 K HA -0.115 4.205 4.320 0.000 0.000 0.202 9 K C 0.126 176.645 176.600 -0.135 0.000 1.048 9 K CA 1.100 57.387 56.287 0.000 0.000 0.948 9 K CB 0.139 32.677 32.500 0.064 0.000 0.742 9 K HN 0.213 nan 8.250 nan 0.000 0.458 10 W N 1.054 122.343 121.300 -0.020 0.000 2.846 10 W HA 0.304 4.964 4.660 0.000 0.000 0.391 10 W C -0.204 176.306 176.519 -0.015 0.000 1.011 10 W CA -0.755 56.582 57.345 -0.013 0.000 1.832 10 W CB 0.319 29.774 29.460 -0.008 0.000 1.151 10 W HN -0.173 nan 8.180 nan 0.000 0.582 11 R N 2.634 123.213 120.500 0.133 0.000 2.483 11 R HA 0.056 4.396 4.340 0.000 0.000 0.329 11 R C -2.128 174.199 176.300 0.045 0.000 0.961 11 R CA -1.221 54.922 56.100 0.072 0.000 1.041 11 R CB 0.137 30.457 30.300 0.032 0.000 0.930 11 R HN -0.222 nan 8.270 nan 0.000 0.413 12 P HA -0.139 nan 4.420 nan 0.000 0.257 12 P C -0.323 176.985 177.300 0.013 0.000 1.162 12 P CA 0.475 63.599 63.100 0.040 0.000 0.762 12 P CB 0.672 32.394 31.700 0.036 0.000 0.753 13 Q N 0.789 120.588 119.800 -0.002 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 -0.024 0.000 0.900 13 Q CA 1.140 56.926 55.803 -0.028 0.000 0.925 13 Q CB 0.390 29.097 28.738 -0.052 0.000 1.065 13 Q HN 0.431 nan 8.270 nan 0.000 0.535 14 T N -0.053 114.506 114.554 0.009 0.000 2.930 14 T HA 0.329 4.679 4.350 0.000 0.000 0.290 14 T C 0.309 175.102 174.700 0.154 0.000 1.052 14 T CA -0.639 61.476 62.100 0.026 0.000 1.017 14 T CB 0.906 69.780 68.868 0.009 0.000 1.137 14 T HN -0.158 nan 8.240 nan 0.000 0.511 15 F N 1.109 121.018 119.950 -0.069 0.000 2.451 15 F HA 0.088 4.615 4.527 0.000 0.000 0.299 15 F C 2.372 178.131 175.800 -0.068 0.000 1.101 15 F CA 0.206 58.158 58.000 -0.081 0.000 1.436 15 F CB -1.031 37.918 39.000 -0.085 0.000 1.074 15 F HN 0.719 nan 8.300 nan 0.000 0.553 16 A N -0.513 122.386 122.820 0.132 0.000 1.975 16 A HA -0.085 4.235 4.320 0.000 0.000 0.215 16 A C 1.953 179.555 177.584 0.031 0.000 1.170 16 A CA 1.280 53.349 52.037 0.052 0.000 0.656 16 A CB -0.467 18.556 19.000 0.039 0.000 0.821 16 A HN 0.169 nan 8.150 nan 0.000 0.449 17 D N 0.075 120.503 120.400 0.048 0.000 2.219 17 D HA -0.012 4.628 4.640 0.000 0.000 0.205 17 D C 0.826 177.150 176.300 0.041 0.000 0.970 17 D CA 0.481 54.513 54.000 0.054 0.000 0.851 17 D CB -0.394 40.441 40.800 0.059 0.000 0.943 17 D HN 0.206 nan 8.370 nan 0.000 0.488 18 V N 1.248 121.166 119.914 0.007 0.000 2.963 18 V HA 0.026 4.146 4.120 0.000 0.000 0.306 18 V C 0.707 176.772 176.094 -0.047 0.000 1.077 18 V CA -0.314 61.965 62.300 -0.035 0.000 1.124 18 V CB 1.666 33.427 31.823 -0.103 0.000 0.987 18 V HN -0.173 nan 8.190 nan 0.000 0.487 19 V N 2.753 122.637 119.914 -0.050 0.000 2.532 19 V HA 0.624 4.744 4.120 0.000 0.000 0.295 19 V C 1.431 177.480 176.094 -0.075 0.000 1.041 19 V CA 0.407 62.675 62.300 -0.053 0.000 0.926 19 V CB 0.634 32.436 31.823 -0.034 0.000 0.992 19 V HN 1.151 nan 8.190 nan 0.000 0.457 20 G N 2.981 111.733 108.800 -0.080 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 0.604 175.442 174.900 -0.103 0.000 0.990 20 G CA 1.071 46.118 45.100 -0.088 0.000 0.653 20 G HN 0.776 nan 8.290 nan 0.000 0.576 21 Q N 0.727 120.458 119.800 -0.115 0.000 3.170 21 Q HA 0.304 4.644 4.340 0.000 0.000 0.346 21 Q C 1.478 177.373 176.000 -0.176 0.000 1.333 21 Q CA 0.016 55.748 55.803 -0.119 0.000 0.958 21 Q CB 0.039 28.710 28.738 -0.111 0.000 1.600 21 Q HN 0.732 nan 8.270 nan 0.000 0.482 22 E N 0.364 120.432 120.200 -0.219 0.000 2.068 22 E HA -0.260 4.090 4.350 0.000 0.000 0.207 22 E C 1.227 177.649 176.600 -0.297 0.000 1.032 22 E CA 1.313 57.526 56.400 -0.312 0.000 0.839 22 E CB -0.076 29.340 29.700 -0.474 0.000 0.758 22 E HN 0.601 nan 8.360 nan 0.000 0.457 23 H N -0.452 118.574 119.070 -0.074 0.000 2.518 23 H HA -0.035 4.521 4.556 0.000 0.000 0.289 23 H C 1.955 177.223 175.328 -0.100 0.000 1.051 23 H CA 0.816 56.832 56.048 -0.052 0.000 1.280 23 H CB 0.088 29.849 29.762 -0.000 0.000 1.380 23 H HN 0.058 nan 8.280 nan 0.000 0.566 24 V N 0.381 120.227 119.914 -0.112 0.000 3.307 24 V HA -0.048 4.072 4.120 0.000 0.000 0.253 24 V C 2.419 178.227 176.094 -0.477 0.000 1.149 24 V CA 0.410 62.497 62.300 -0.356 0.000 1.112 24 V CB 0.072 31.703 31.823 -0.321 0.000 0.777 24 V HN 0.221 nan 8.190 nan 0.000 0.464 25 L N -0.392 120.594 121.223 -0.396 0.000 2.127 25 L HA -0.063 4.277 4.340 0.000 0.000 0.203 25 L C 2.610 179.299 176.870 -0.303 0.000 1.080 25 L CA 1.538 56.064 54.840 -0.523 0.000 0.768 25 L CB -0.968 40.812 42.059 -0.465 0.000 0.924 25 L HN 0.291 nan 8.230 nan 0.000 0.444 26 T N 0.423 114.878 114.554 -0.165 0.000 2.684 26 T HA -0.215 4.135 4.350 0.000 0.000 0.267 26 T C 2.060 176.754 174.700 -0.011 0.000 1.036 26 T CA 1.457 63.530 62.100 -0.045 0.000 1.148 26 T CB -0.311 68.568 68.868 0.018 0.000 0.863 26 T HN 0.426 nan 8.240 nan 0.000 0.436 27 A N 1.387 124.184 122.820 -0.038 0.000 1.892 27 A HA -0.049 4.271 4.320 0.000 0.000 0.218 27 A C 2.302 179.900 177.584 0.024 0.000 1.188 27 A CA 1.423 53.477 52.037 0.029 0.000 0.631 27 A CB -0.940 18.074 19.000 0.023 0.000 0.822 27 A HN 0.500 nan 8.150 nan 0.000 0.447 28 L N -1.067 120.091 121.223 -0.108 0.000 2.291 28 L HA -0.107 4.233 4.340 0.000 0.000 0.214 28 L C 2.981 179.950 176.870 0.165 0.000 1.120 28 L CA 0.617 55.459 54.840 0.004 0.000 0.799 28 L CB -0.502 41.509 42.059 -0.080 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 0.144 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 0.113 0.000 1.191 29 A CA 1.759 53.900 52.037 0.173 0.000 0.613 29 A CB -0.524 18.553 19.000 0.129 0.000 0.829 29 A HN 0.352 nan 8.150 nan 0.000 0.442 30 N N 0.188 118.947 118.700 0.098 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 0.106 0.000 1.050 30 N CA 1.931 55.038 53.050 0.095 0.000 0.856 30 N CB -0.969 37.579 38.487 0.102 0.000 1.050 30 N HN 0.419 nan 8.380 nan 0.000 0.423 31 G N 0.487 109.369 108.800 0.137 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 0.117 0.000 1.130 31 G CA 0.437 45.631 45.100 0.156 0.000 0.760 31 G HN 0.303 nan 8.290 nan 0.000 0.557 32 L N 0.615 121.894 121.223 0.093 0.000 2.478 32 L HA 0.070 4.410 4.340 0.000 0.000 0.223 32 L C 2.653 179.547 176.870 0.041 0.000 1.140 32 L CA 0.394 55.263 54.840 0.048 0.000 0.842 32 L CB 0.152 42.215 42.059 0.008 0.000 0.953 32 L HN 0.196 nan 8.230 nan 0.000 0.452 33 S N -0.438 115.294 115.700 0.054 0.000 2.444 33 S HA 0.111 4.581 4.470 0.000 0.000 0.223 33 S C 1.682 176.313 174.600 0.052 0.000 1.054 33 S CA 0.268 58.495 58.200 0.045 0.000 0.947 33 S CB 0.059 63.286 63.200 0.046 0.000 0.850 33 S HN 0.246 nan 8.310 nan 0.000 0.527 34 L N 1.404 122.665 121.223 0.064 0.000 2.552 34 L HA 0.192 4.532 4.340 0.000 0.000 0.227 34 L C 1.582 178.493 176.870 0.069 0.000 1.146 34 L CA 0.526 55.404 54.840 0.064 0.000 0.858 34 L CB -1.002 41.099 42.059 0.071 0.000 0.969 34 L HN 0.562 nan 8.230 nan 0.000 0.451 35 G N 1.324 110.170 108.800 0.078 0.000 2.176 35 G HA2 -0.316 3.644 3.960 0.000 0.000 0.252 35 G HA3 -0.316 3.644 3.960 0.000 0.000 0.252 35 G C 0.332 175.282 174.900 0.084 0.000 1.024 35 G CA -0.105 45.046 45.100 0.085 0.000 0.755 35 G HN 0.446 nan 8.290 nan 0.000 0.507 36 R N -0.031 120.530 120.500 0.101 0.000 3.657 36 R HA 0.392 4.732 4.340 0.000 0.000 0.220 36 R C 0.485 176.883 176.300 0.165 0.000 1.548 36 R CA -0.389 55.776 56.100 0.108 0.000 1.465 36 R CB 0.355 30.743 30.300 0.147 0.000 1.330 36 R HN 0.512 nan 8.270 nan 0.000 0.707 37 I N 2.320 122.932 120.570 0.070 0.000 2.325 37 I HA 0.113 4.283 4.170 0.000 0.000 0.291 37 I C 0.118 176.149 176.117 -0.144 0.000 1.019 37 I CA -0.458 60.881 61.300 0.065 0.000 1.302 37 I CB 0.376 38.346 38.000 -0.050 0.000 1.401 37 I HN 0.450 nan 8.210 nan 0.000 0.485 38 H N 6.819 125.722 119.070 -0.279 0.000 2.525 38 H HA 0.196 4.752 4.556 0.000 0.000 0.339 38 H C 0.456 175.497 175.328 -0.479 0.000 1.109 38 H CA -0.436 55.334 56.048 -0.463 0.000 1.352 38 H CB 1.144 30.530 29.762 -0.626 0.000 1.461 38 H HN 0.665 nan 8.280 nan 0.000 0.533 39 H N 0.911 119.935 119.070 -0.077 0.000 2.521 39 H HA 0.088 4.644 4.556 0.000 0.000 0.286 39 H C 0.270 175.636 175.328 0.063 0.000 1.034 39 H CA 0.701 56.754 56.048 0.007 0.000 1.278 39 H CB 0.462 30.237 29.762 0.022 0.000 1.386 39 H HN 0.499 nan 8.280 nan 0.000 0.567 40 A N 0.396 123.220 122.820 0.006 0.000 2.429 40 A HA 0.488 4.808 4.320 0.000 0.000 0.289 40 A C -1.746 175.699 177.584 -0.230 0.000 1.043 40 A CA -0.556 51.486 52.037 0.007 0.000 0.722 40 A CB 0.897 19.900 19.000 0.006 0.000 1.243 40 A HN 0.162 nan 8.150 nan 0.000 0.415 41 Y N 1.788 122.070 120.300 -0.029 0.000 2.328 41 Y HA 0.524 5.074 4.550 0.000 0.000 0.333 41 Y C -0.204 175.445 175.900 -0.418 0.000 0.958 41 Y CA -0.568 57.384 58.100 -0.247 0.000 1.167 41 Y CB 2.033 40.350 38.460 -0.239 0.000 1.151 41 Y HN 0.677 nan 8.280 nan 0.000 0.470 42 L N 5.115 126.164 121.223 -0.290 0.000 2.272 42 L HA 0.555 4.895 4.340 0.000 0.000 0.289 42 L C -1.705 174.976 176.870 -0.316 0.000 1.032 42 L CA -0.244 54.448 54.840 -0.247 0.000 0.810 42 L CB 0.049 42.020 42.059 -0.147 0.000 1.205 42 L HN 0.355 nan 8.230 nan 0.000 0.422 43 F N 3.877 123.893 119.950 0.110 0.000 2.375 43 F HA 0.522 5.049 4.527 0.000 0.000 0.361 43 F C 0.509 176.294 175.800 -0.024 0.000 1.117 43 F CA -0.521 57.525 58.000 0.076 0.000 1.037 43 F CB 1.423 40.464 39.000 0.068 0.000 1.192 43 F HN 0.532 nan 8.300 nan 0.000 0.452 44 S N 1.728 117.451 115.700 0.038 0.000 2.681 44 S HA 1.009 5.479 4.470 0.000 0.000 0.299 44 S C -0.098 174.307 174.600 -0.325 0.000 1.113 44 S CA -0.308 57.780 58.200 -0.187 0.000 1.013 44 S CB 2.006 65.005 63.200 -0.334 0.000 1.076 44 S HN 1.349 nan 8.310 nan 0.000 0.534 45 G N 0.459 109.091 108.800 -0.280 0.000 2.326 45 G HA2 0.313 4.273 3.960 0.000 0.000 0.413 45 G HA3 0.313 4.273 3.960 0.000 0.000 0.413 45 G C -0.510 174.377 174.900 -0.022 0.000 1.444 45 G CA -0.501 44.519 45.100 -0.133 0.000 1.002 45 G HN 0.994 nan 8.290 nan 0.000 0.649 46 T N 0.116 114.689 114.554 0.030 0.000 2.716 46 T HA 0.381 4.731 4.350 0.000 0.000 0.335 46 T C 1.145 175.859 174.700 0.024 0.000 1.081 46 T CA 0.735 62.854 62.100 0.032 0.000 1.073 46 T CB 0.284 69.175 68.868 0.040 0.000 0.993 46 T HN 1.070 nan 8.240 nan 0.000 0.547 47 R N -0.255 120.262 120.500 0.028 0.000 2.582 47 R HA 0.519 4.859 4.340 0.000 0.000 0.271 47 R C 1.204 177.515 176.300 0.019 0.000 1.078 47 R CA 0.368 56.484 56.100 0.028 0.000 1.127 47 R CB -0.031 30.290 30.300 0.035 0.000 1.038 47 R HN 0.884 nan 8.270 nan 0.000 0.500 48 G N 0.540 109.348 108.800 0.013 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 -0.183 174.715 174.900 -0.003 0.000 1.032 48 G CA -0.046 45.057 45.100 0.006 0.000 0.623 48 G HN 0.589 nan 8.290 nan 0.000 0.506 49 V N 1.867 121.779 119.914 -0.003 0.000 2.775 49 V HA 0.533 4.653 4.120 0.000 0.000 0.299 49 V C 1.727 177.800 176.094 -0.034 0.000 1.062 49 V CA 0.539 62.830 62.300 -0.015 0.000 1.063 49 V CB 1.529 33.349 31.823 -0.004 0.000 0.994 49 V HN 0.922 nan 8.190 nan 0.000 0.483 50 G N 2.781 111.545 108.800 -0.060 0.000 3.180 50 G HA2 -0.012 3.948 3.960 0.000 0.000 0.246 50 G HA3 -0.012 3.948 3.960 0.000 0.000 0.246 50 G C 0.926 175.742 174.900 -0.141 0.000 0.939 50 G CA -0.168 44.880 45.100 -0.088 0.000 1.920 50 G HN 0.857 nan 8.290 nan 0.000 0.612 51 K N -0.005 120.335 120.400 -0.099 0.000 2.001 51 K HA -0.122 4.198 4.320 0.000 0.000 0.208 51 K C 2.938 179.455 176.600 -0.137 0.000 1.048 51 K CA 1.797 58.013 56.287 -0.118 0.000 0.932 51 K CB -0.276 32.232 32.500 0.013 0.000 0.715 51 K HN 0.472 nan 8.250 nan 0.000 0.437 52 T N -0.949 113.577 114.554 -0.045 0.000 2.737 52 T HA -0.136 4.214 4.350 0.000 0.000 0.265 52 T C 2.245 176.910 174.700 -0.059 0.000 1.038 52 T CA 1.704 63.795 62.100 -0.014 0.000 1.144 52 T CB -0.388 68.493 68.868 0.022 0.000 0.866 52 T HN 0.104 nan 8.240 nan 0.000 0.434 53 S N 0.967 116.625 115.700 -0.070 0.000 2.365 53 S HA -0.057 4.413 4.470 0.000 0.000 0.225 53 S C 2.020 176.556 174.600 -0.107 0.000 1.039 53 S CA 1.554 59.713 58.200 -0.068 0.000 1.033 53 S CB -0.698 62.467 63.200 -0.058 0.000 0.887 53 S HN 0.620 nan 8.310 nan 0.000 0.447 54 I N 1.209 121.651 120.570 -0.215 0.000 2.676 54 I HA -0.049 4.121 4.170 0.000 0.000 0.259 54 I C 2.590 178.521 176.117 -0.311 0.000 1.194 54 I CA 0.775 61.892 61.300 -0.304 0.000 1.473 54 I CB -0.441 37.248 38.000 -0.519 0.000 1.096 54 I HN 0.365 nan 8.210 nan 0.000 0.443 55 A N 0.973 123.607 122.820 -0.309 0.000 1.969 55 A HA -0.146 4.174 4.320 0.000 0.000 0.218 55 A C 2.382 179.960 177.584 -0.011 0.000 1.169 55 A CA 1.120 53.081 52.037 -0.126 0.000 0.635 55 A CB -0.378 18.639 19.000 0.029 0.000 0.810 55 A HN 0.287 nan 8.150 nan 0.000 0.445 56 R N -0.428 120.058 120.500 -0.023 0.000 2.066 56 R HA 0.029 4.369 4.340 0.000 0.000 0.232 56 R C 1.759 178.046 176.300 -0.022 0.000 1.131 56 R CA 1.365 57.457 56.100 -0.014 0.000 0.955 56 R CB -0.465 29.824 30.300 -0.019 0.000 0.851 56 R HN 0.488 nan 8.270 nan 0.000 0.432 57 L N 0.982 122.219 121.223 0.023 0.000 2.549 57 L HA -0.130 4.210 4.340 0.000 0.000 0.229 57 L C 2.074 178.911 176.870 -0.056 0.000 1.158 57 L CA 0.252 55.111 54.840 0.032 0.000 0.842 57 L CB -0.268 41.952 42.059 0.269 0.000 0.952 57 L HN 0.213 nan 8.230 nan 0.000 0.452 58 L N 0.073 121.320 121.223 0.041 0.000 2.130 58 L HA 0.108 4.448 4.340 0.000 0.000 0.200 58 L C 2.578 179.400 176.870 -0.079 0.000 1.075 58 L CA 1.641 56.484 54.840 0.004 0.000 0.768 58 L CB -0.458 41.627 42.059 0.042 0.000 0.933 58 L HN 0.051 nan 8.230 nan 0.000 0.451 59 A N -0.878 121.914 122.820 -0.046 0.000 2.121 59 A HA -0.187 4.133 4.320 0.000 0.000 0.218 59 A C 2.312 179.825 177.584 -0.118 0.000 1.154 59 A CA 1.511 53.516 52.037 -0.053 0.000 0.679 59 A CB -0.590 18.402 19.000 -0.012 0.000 0.795 59 A HN 0.465 nan 8.150 nan 0.000 0.458 60 K N -0.962 119.350 120.400 -0.147 0.000 2.365 60 K HA 0.006 4.326 4.320 0.000 0.000 0.197 60 K C 1.494 177.976 176.600 -0.196 0.000 1.042 60 K CA 0.818 56.991 56.287 -0.190 0.000 0.987 60 K CB -0.108 32.286 32.500 -0.177 0.000 0.779 60 K HN 0.424 nan 8.250 nan 0.000 0.484 61 G N -0.359 108.320 108.800 -0.203 0.000 3.062 61 G HA2 0.067 4.027 3.960 0.000 0.000 0.228 61 G HA3 0.067 4.027 3.960 0.000 0.000 0.228 61 G C 1.091 175.939 174.900 -0.087 0.000 1.094 61 G CA -0.295 44.691 45.100 -0.191 0.000 0.782 61 G HN 0.064 nan 8.290 nan 0.000 0.541 62 L N 0.170 121.361 121.223 -0.054 0.000 2.145 62 L HA 0.131 4.472 4.340 0.000 0.000 0.201 62 L C 1.993 179.022 176.870 0.266 0.000 1.075 62 L CA 0.659 55.534 54.840 0.058 0.000 0.773 62 L CB 0.018 42.030 42.059 -0.079 0.000 0.936 62 L HN 0.080 nan 8.230 nan 0.000 0.451 63 N N -0.949 117.828 118.700 0.127 0.000 2.325 63 N HA -0.007 4.733 4.740 0.000 0.000 0.182 63 N C 0.511 176.021 175.510 -0.001 0.000 1.088 63 N CA 0.019 53.131 53.050 0.104 0.000 0.879 63 N CB -0.158 38.358 38.487 0.047 0.000 0.983 63 N HN 0.197 nan 8.380 nan 0.000 0.471 64 C N 2.289 121.558 119.300 -0.052 0.000 2.502 64 C HA -0.048 4.412 4.460 0.000 0.000 0.404 64 C C 1.876 176.851 174.990 -0.026 0.000 1.409 64 C CA 0.009 58.985 59.018 -0.069 0.000 1.648 64 C CB -0.250 27.439 27.740 -0.086 0.000 2.571 64 C HN 0.461 nan 8.230 nan 0.000 0.601 65 E N 1.717 121.901 120.200 -0.026 0.000 2.268 65 E HA -0.118 4.232 4.350 0.000 0.000 0.195 65 E C 1.823 178.415 176.600 -0.012 0.000 0.995 65 E CA 1.515 57.910 56.400 -0.009 0.000 0.836 65 E CB 0.033 29.729 29.700 -0.006 0.000 0.763 65 E HN 0.864 nan 8.360 nan 0.000 0.491 66 T N 0.265 114.805 114.554 -0.023 0.000 3.113 66 T HA 0.131 4.481 4.350 0.000 0.000 0.263 66 T C 0.566 175.258 174.700 -0.013 0.000 1.143 66 T CA 0.618 62.704 62.100 -0.022 0.000 1.090 66 T CB 0.101 68.948 68.868 -0.035 0.000 0.922 66 T HN 0.426 nan 8.240 nan 0.000 0.521 67 G N 0.982 109.780 108.800 -0.004 0.000 2.479 67 G HA2 -0.082 3.879 3.960 0.000 0.000 0.686 67 G HA3 -0.082 3.879 3.960 0.000 0.000 0.686 67 G C -0.772 174.140 174.900 0.021 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 0.054 0.000 2.576 68 I HA 0.231 4.401 4.170 0.000 0.000 0.288 68 I C 0.753 176.874 176.117 0.006 0.000 1.126 68 I CA 0.525 61.864 61.300 0.065 0.000 1.362 68 I CB -0.268 37.807 38.000 0.126 0.000 1.419 68 I HN 0.532 nan 8.210 nan 0.000 0.533 69 T N 3.713 118.240 114.554 -0.045 0.000 2.907 69 T HA 0.512 4.862 4.350 0.000 0.000 0.292 69 T C 0.685 175.287 174.700 -0.162 0.000 1.043 69 T CA -0.670 61.380 62.100 -0.082 0.000 1.003 69 T CB 2.214 71.028 68.868 -0.090 0.000 1.084 69 T HN 0.550 nan 8.240 nan 0.000 0.483 70 A N 0.671 123.401 122.820 -0.150 0.000 2.220 70 A HA 0.341 4.661 4.320 0.000 0.000 0.211 70 A C 0.985 178.395 177.584 -0.291 0.000 1.176 70 A CA 0.164 52.064 52.037 -0.228 0.000 0.834 70 A CB 0.001 18.978 19.000 -0.037 0.000 0.868 70 A HN 0.716 nan 8.150 nan 0.000 0.488 71 T N 2.575 117.017 114.554 -0.187 0.000 3.331 71 T HA 0.424 4.774 4.350 0.000 0.000 0.381 71 T C -2.889 171.722 174.700 -0.148 0.000 1.656 71 T CA -1.040 60.971 62.100 -0.148 0.000 1.453 71 T CB 0.959 69.782 68.868 -0.075 0.000 1.066 71 T HN 0.087 nan 8.240 nan 0.000 0.655 72 P HA 0.236 nan 4.420 nan 0.000 0.272 72 P C 0.089 177.321 177.300 -0.114 0.000 1.223 72 P CA -0.679 62.326 63.100 -0.159 0.000 0.784 72 P CB 0.329 31.909 31.700 -0.201 0.000 0.923 73 C N 0.447 119.691 119.300 -0.093 0.000 2.325 73 C HA 0.614 5.074 4.460 0.000 0.000 0.347 73 C C 1.770 176.714 174.990 -0.077 0.000 1.263 73 C CA -0.084 58.891 59.018 -0.073 0.000 1.806 73 C CB -0.014 27.691 27.740 -0.059 0.000 2.405 73 C HN 0.764 nan 8.230 nan 0.000 0.537 74 G N 2.246 111.003 108.800 -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 -0.063 0.000 1.141 74 G CA 1.135 46.192 45.100 -0.072 0.000 0.788 74 G HN 1.361 nan 8.290 nan 0.000 0.531 75 V N -1.367 118.514 119.914 -0.055 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 -0.189 62.084 62.300 -0.045 0.000 1.108 75 V CB -1.149 30.652 31.823 -0.037 0.000 0.798 75 V HN 0.405 nan 8.190 nan 0.000 0.471 76 C N 2.227 121.500 119.300 -0.044 0.000 2.611 76 C HA 0.098 4.558 4.460 0.000 0.000 0.416 76 C C 1.740 176.709 174.990 -0.036 0.000 1.366 76 C CA 0.287 59.283 59.018 -0.036 0.000 1.761 76 C CB -0.540 27.175 27.740 -0.041 0.000 2.619 76 C HN 0.640 nan 8.230 nan 0.000 0.606 77 D N 2.717 123.109 120.400 -0.012 0.000 2.244 77 D HA -0.181 4.459 4.640 0.000 0.000 0.197 77 D C 1.570 177.873 176.300 0.005 0.000 1.006 77 D CA 2.003 56.008 54.000 0.009 0.000 0.888 77 D CB -0.050 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 0.154 118.834 118.700 -0.035 0.000 2.142 78 N HA -0.093 4.647 4.740 0.000 0.000 0.186 78 N C 2.049 177.394 175.510 -0.274 0.000 1.023 78 N CA 0.514 53.456 53.050 -0.179 0.000 0.852 78 N CB -0.761 37.606 38.487 -0.200 0.000 0.998 78 N HN 0.247 nan 8.380 nan 0.000 0.424 79 C N 1.050 120.245 119.300 -0.175 0.000 2.432 79 C HA -0.013 4.447 4.460 0.000 0.000 0.277 79 C C 2.697 177.614 174.990 -0.121 0.000 1.249 79 C CA 0.402 59.325 59.018 -0.158 0.000 1.725 79 C CB -0.820 26.850 27.740 -0.118 0.000 2.028 79 C HN 0.473 nan 8.230 nan 0.000 0.477 80 R N 0.753 121.205 120.500 -0.081 0.000 2.073 80 R HA -0.127 4.213 4.340 0.000 0.000 0.234 80 R C 2.089 178.367 176.300 -0.037 0.000 1.134 80 R CA 1.469 57.538 56.100 -0.052 0.000 0.952 80 R CB -0.393 29.887 30.300 -0.033 0.000 0.850 80 R HN 0.655 nan 8.270 nan 0.000 0.433 81 E N 0.404 120.595 120.200 -0.016 0.000 2.204 81 E HA -0.163 4.187 4.350 0.000 0.000 0.195 81 E C 1.938 178.552 176.600 0.023 0.000 0.990 81 E CA 0.904 57.333 56.400 0.049 0.000 0.821 81 E CB -0.050 29.762 29.700 0.186 0.000 0.750 81 E HN 0.387 nan 8.360 nan 0.000 0.477 82 I N 0.688 121.198 120.570 -0.100 0.000 2.286 82 I HA -0.181 3.989 4.170 0.000 0.000 0.245 82 I C 2.310 178.396 176.117 -0.052 0.000 1.104 82 I CA 0.826 62.057 61.300 -0.115 0.000 1.397 82 I CB 0.052 37.907 38.000 -0.242 0.000 1.072 82 I HN -0.021 nan 8.210 nan 0.000 0.417 83 E N 1.005 121.170 120.200 -0.059 0.000 2.478 83 E HA -0.150 4.200 4.350 0.000 0.000 0.198 83 E C 1.319 177.907 176.600 -0.019 0.000 1.046 83 E CA 0.831 57.207 56.400 -0.040 0.000 0.870 83 E CB 0.044 29.714 29.700 -0.050 0.000 0.818 83 E HN 0.479 nan 8.360 nan 0.000 0.527 84 Q N -1.532 118.263 119.800 -0.007 0.000 2.172 84 Q HA 0.265 4.605 4.340 0.000 0.000 0.217 84 Q C 0.982 176.995 176.000 0.021 0.000 0.832 84 Q CA 0.205 56.011 55.803 0.005 0.000 1.010 84 Q CB 1.055 29.797 28.738 0.006 0.000 1.133 84 Q HN 0.332 nan 8.270 nan 0.000 0.489 85 G N 2.257 111.073 108.800 0.026 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 0.465 175.403 174.900 0.063 0.000 1.073 85 G CA 0.132 45.255 45.100 0.040 0.000 0.643 85 G HN 0.317 nan 8.290 nan 0.000 0.525 86 R N 0.021 120.563 120.500 0.070 0.000 2.235 86 R HA 0.592 4.932 4.340 0.000 0.000 0.338 86 R C -1.199 175.210 176.300 0.182 0.000 1.087 86 R CA -0.353 55.801 56.100 0.090 0.000 0.948 86 R CB 0.350 30.685 30.300 0.057 0.000 1.099 86 R HN 0.185 nan 8.270 nan 0.000 0.483 87 F N 2.064 122.002 119.950 -0.021 0.000 2.591 87 F HA 0.168 4.695 4.527 0.000 0.000 0.309 87 F C 0.883 176.663 175.800 -0.033 0.000 1.098 87 F CA -1.125 56.861 58.000 -0.024 0.000 0.937 87 F CB 1.348 40.335 39.000 -0.022 0.000 1.250 87 F HN 0.109 nan 8.300 nan 0.000 0.447 88 V N 2.759 122.197 119.914 -0.794 0.000 2.250 88 V HA -0.301 3.819 4.120 0.000 0.000 0.250 88 V C 1.445 177.254 176.094 -0.474 0.000 1.060 88 V CA 2.621 64.565 62.300 -0.593 0.000 1.030 88 V CB -0.383 31.058 31.823 -0.636 0.000 0.643 88 V HN 0.742 nan 8.190 nan 0.000 0.445 89 D N -0.630 119.389 120.400 -0.635 0.000 2.305 89 D HA 0.076 4.717 4.640 0.000 0.000 0.206 89 D C 0.962 177.209 176.300 -0.087 0.000 0.974 89 D CA 0.097 53.957 54.000 -0.234 0.000 0.871 89 D CB 0.093 40.852 40.800 -0.069 0.000 0.947 89 D HN 0.327 nan 8.370 nan 0.000 0.516 90 L N 2.382 123.680 121.223 0.125 0.000 2.462 90 L HA 0.191 4.531 4.340 0.000 0.000 0.283 90 L C -0.325 176.529 176.870 -0.026 0.000 1.166 90 L CA 0.025 54.924 54.840 0.099 0.000 0.964 90 L CB -0.611 41.589 42.059 0.234 0.000 1.294 90 L HN -0.131 nan 8.230 nan 0.000 0.449 91 I N 4.669 125.129 120.570 -0.182 0.000 2.308 91 I HA 0.150 4.320 4.170 0.000 0.000 0.293 91 I C 0.163 176.283 176.117 0.005 0.000 1.078 91 I CA -0.174 61.042 61.300 -0.139 0.000 1.292 91 I CB 0.310 38.124 38.000 -0.310 0.000 1.423 91 I HN 0.529 nan 8.210 nan 0.000 0.493 92 E N 7.780 128.010 120.200 0.051 0.000 2.046 92 E HA 0.453 4.803 4.350 0.000 0.000 0.279 92 E C -0.670 175.993 176.600 0.105 0.000 0.989 92 E CA -0.296 56.158 56.400 0.090 0.000 0.798 92 E CB 1.342 31.086 29.700 0.074 0.000 1.086 92 E HN 0.511 nan 8.360 nan 0.000 0.399 93 I N 2.306 122.961 120.570 0.142 0.000 2.354 93 I HA 0.177 4.347 4.170 0.000 0.000 0.292 93 I C -0.232 175.958 176.117 0.122 0.000 0.989 93 I CA -0.796 60.586 61.300 0.137 0.000 1.188 93 I CB 1.376 39.481 38.000 0.174 0.000 1.342 93 I HN 0.357 nan 8.210 nan 0.000 0.457 94 D N 5.244 125.703 120.400 0.097 0.000 2.412 94 D HA 0.366 5.006 4.640 0.000 0.000 0.224 94 D C 0.670 177.018 176.300 0.080 0.000 1.093 94 D CA -0.338 53.714 54.000 0.087 0.000 0.850 94 D CB 1.921 42.764 40.800 0.071 0.000 1.046 94 D HN 0.634 nan 8.370 nan 0.000 0.507 95 A N 3.170 126.040 122.820 0.083 0.000 2.239 95 A HA 0.182 4.502 4.320 0.000 0.000 0.209 95 A C 1.639 179.247 177.584 0.041 0.000 1.171 95 A CA 1.063 53.141 52.037 0.069 0.000 0.768 95 A CB -0.057 18.989 19.000 0.076 0.000 0.790 95 A HN 0.535 nan 8.150 nan 0.000 0.478 96 A N 0.001 122.844 122.820 0.040 0.000 2.267 96 A HA 0.346 4.666 4.320 0.000 0.000 0.213 96 A C 1.314 178.915 177.584 0.028 0.000 1.192 96 A CA 0.612 52.663 52.037 0.023 0.000 0.851 96 A CB -0.395 18.622 19.000 0.028 0.000 0.881 96 A HN 0.652 nan 8.150 nan 0.000 0.494 97 S N -0.594 115.129 115.700 0.038 0.000 2.565 97 S HA 0.423 4.893 4.470 0.000 0.000 0.276 97 S C 0.547 175.168 174.600 0.034 0.000 1.326 97 S CA -0.571 57.651 58.200 0.036 0.000 1.045 97 S CB 1.154 64.379 63.200 0.041 0.000 0.918 97 S HN 0.422 nan 8.310 nan 0.000 0.505 98 R N 0.692 121.209 120.500 0.029 0.000 2.265 98 R HA 0.131 4.471 4.340 0.000 0.000 0.194 98 R C 0.137 176.453 176.300 0.027 0.000 0.931 98 R CA 0.365 56.481 56.100 0.027 0.000 1.032 98 R CB 0.165 30.478 30.300 0.022 0.000 0.980 98 R HN 0.640 nan 8.270 nan 0.000 0.497 99 T N 1.195 115.766 114.554 0.027 0.000 3.448 99 T HA 0.212 4.562 4.350 0.000 0.000 0.271 99 T C -0.363 174.355 174.700 0.029 0.000 1.002 99 T CA -0.319 61.797 62.100 0.025 0.000 0.995 99 T CB 0.429 69.310 68.868 0.021 0.000 1.153 99 T HN -0.000 nan 8.240 nan 0.000 0.510 100 K N 0.638 121.059 120.400 0.035 0.000 2.380 100 K HA 0.239 4.559 4.320 0.000 0.000 0.267 100 K C 1.284 177.905 176.600 0.036 0.000 0.990 100 K CA -0.442 55.869 56.287 0.040 0.000 0.946 100 K CB 0.784 33.315 32.500 0.051 0.000 0.937 100 K HN -0.097 nan 8.250 nan 0.000 0.491 101 V N 1.548 121.484 119.914 0.036 0.000 2.231 101 V HA -0.259 3.861 4.120 0.000 0.000 0.248 101 V C 0.416 176.530 176.094 0.033 0.000 1.054 101 V CA 1.739 64.057 62.300 0.031 0.000 1.015 101 V CB -0.394 31.447 31.823 0.031 0.000 0.638 101 V HN 0.762 nan 8.190 nan 0.000 0.444 102 E N -0.193 120.032 120.200 0.043 0.000 2.265 102 E HA 0.268 4.618 4.350 0.000 0.000 0.262 102 E C -1.412 175.223 176.600 0.058 0.000 0.889 102 E CA -0.648 55.780 56.400 0.046 0.000 0.789 102 E CB 1.374 31.104 29.700 0.050 0.000 1.221 102 E HN 0.305 nan 8.360 nan 0.000 0.414 103 D N 1.704 122.137 120.400 0.054 0.000 2.419 103 D HA -0.046 4.594 4.640 0.000 0.000 0.236 103 D C 1.157 177.505 176.300 0.081 0.000 1.165 103 D CA 0.378 54.418 54.000 0.066 0.000 0.882 103 D CB 0.755 41.591 40.800 0.060 0.000 1.201 103 D HN 0.371 nan 8.370 nan 0.000 0.443 104 T N 1.168 115.778 114.554 0.095 0.000 2.824 104 T HA -0.348 4.002 4.350 0.000 0.000 0.259 104 T C 1.766 176.520 174.700 0.090 0.000 1.024 104 T CA 2.021 64.183 62.100 0.104 0.000 1.164 104 T CB -0.159 68.768 68.868 0.098 0.000 0.836 104 T HN 0.436 nan 8.240 nan 0.000 0.485 105 R N 0.515 121.065 120.500 0.082 0.000 2.120 105 R HA -0.120 4.220 4.340 0.000 0.000 0.234 105 R C 2.046 178.386 176.300 0.066 0.000 1.123 105 R CA 1.642 57.784 56.100 0.070 0.000 0.975 105 R CB -0.113 30.231 30.300 0.074 0.000 0.866 105 R HN 0.389 nan 8.270 nan 0.000 0.446 106 D N 0.172 120.616 120.400 0.073 0.000 2.120 106 D HA -0.095 4.545 4.640 0.000 0.000 0.202 106 D C 1.891 178.253 176.300 0.104 0.000 0.972 106 D CA 0.974 55.020 54.000 0.077 0.000 0.837 106 D CB -0.004 40.837 40.800 0.068 0.000 0.989 106 D HN 0.246 nan 8.370 nan 0.000 0.469 107 L N 0.456 121.755 121.223 0.127 0.000 2.201 107 L HA -0.046 4.294 4.340 0.000 0.000 0.212 107 L C 2.315 179.309 176.870 0.207 0.000 1.105 107 L CA 0.388 55.339 54.840 0.186 0.000 0.775 107 L CB -0.131 42.060 42.059 0.220 0.000 0.913 107 L HN 0.010 nan 8.230 nan 0.000 0.440 108 L N -0.651 120.642 121.223 0.118 0.000 2.418 108 L HA -0.115 4.225 4.340 0.000 0.000 0.218 108 L C 1.935 178.830 176.870 0.041 0.000 1.125 108 L CA 0.477 55.338 54.840 0.036 0.000 0.835 108 L CB -0.321 41.742 42.059 0.006 0.000 0.953 108 L HN 0.234 nan 8.230 nan 0.000 0.454 109 D N 0.413 120.854 120.400 0.068 0.000 2.144 109 D HA -0.193 4.447 4.640 0.000 0.000 0.199 109 D C 1.879 178.214 176.300 0.058 0.000 0.984 109 D CA 1.153 55.185 54.000 0.052 0.000 0.834 109 D CB 0.209 41.049 40.800 0.066 0.000 0.955 109 D HN 0.152 nan 8.370 nan 0.000 0.465 110 N N -0.102 118.686 118.700 0.146 0.000 2.270 110 N HA -0.110 4.630 4.740 0.000 0.000 0.181 110 N C 1.996 177.618 175.510 0.187 0.000 1.016 110 N CA 0.631 53.833 53.050 0.253 0.000 0.870 110 N CB -0.371 38.336 38.487 0.367 0.000 0.979 110 N HN 0.119 nan 8.380 nan 0.000 0.431 111 V N 2.196 122.204 119.914 0.157 0.000 2.322 111 V HA -0.363 3.757 4.120 0.000 0.000 0.258 111 V C 2.304 178.480 176.094 0.138 0.000 1.102 111 V CA 2.021 64.387 62.300 0.111 0.000 1.106 111 V CB -0.681 31.116 31.823 -0.043 0.000 0.784 111 V HN 0.422 nan 8.190 nan 0.000 0.461 112 Q N -1.780 118.035 119.800 0.025 0.000 2.368 112 Q HA -0.110 4.230 4.340 0.000 0.000 0.210 112 Q C 0.783 176.873 176.000 0.149 0.000 0.982 112 Q CA 0.945 56.771 55.803 0.038 0.000 0.884 112 Q CB -0.290 28.373 28.738 -0.125 0.000 0.933 112 Q HN 0.730 nan 8.270 nan 0.000 0.460 113 Y N 0.130 120.548 120.300 0.197 0.000 2.357 113 Y HA 0.182 4.732 4.550 0.000 0.000 0.340 113 Y C 0.887 176.819 175.900 0.053 0.000 1.260 113 Y CA -0.691 57.472 58.100 0.104 0.000 1.425 113 Y CB 0.532 39.036 38.460 0.072 0.000 1.326 113 Y HN -0.018 nan 8.280 nan 0.000 0.580 114 A N 3.774 126.672 122.820 0.129 0.000 2.371 114 A HA 0.332 4.652 4.320 0.000 0.000 0.257 114 A C -2.393 175.182 177.584 -0.016 0.000 1.089 114 A CA -1.539 50.442 52.037 -0.093 0.000 0.794 114 A CB -0.359 18.568 19.000 -0.122 0.000 1.029 114 A HN 0.473 nan 8.150 nan 0.000 0.488 115 P HA 0.268 nan 4.420 nan 0.000 0.281 115 P C 0.486 177.750 177.300 -0.061 0.000 1.286 115 P CA 0.190 63.281 63.100 -0.014 0.000 0.772 115 P CB 1.336 33.056 31.700 0.033 0.000 0.862 116 A N 4.689 127.449 122.820 -0.099 0.000 1.972 116 A HA -0.150 4.170 4.320 0.000 0.000 0.219 116 A C 2.200 179.723 177.584 -0.102 0.000 1.169 116 A CA 1.264 53.233 52.037 -0.113 0.000 0.635 116 A CB -0.383 18.532 19.000 -0.143 0.000 0.810 116 A HN 0.507 nan 8.150 nan 0.000 0.446 117 R N -2.164 118.266 120.500 -0.116 0.000 2.493 117 R HA 0.165 4.505 4.340 0.000 0.000 0.177 117 R C 1.252 177.622 176.300 0.116 0.000 0.861 117 R CA 0.586 56.672 56.100 -0.023 0.000 1.083 117 R CB 0.167 30.425 30.300 -0.069 0.000 1.328 117 R HN 0.442 nan 8.270 nan 0.000 0.615 118 G N -0.006 108.935 108.800 0.235 0.000 2.580 118 G HA2 0.133 4.093 3.960 0.000 0.000 0.278 118 G HA3 0.133 4.093 3.960 0.000 0.000 0.278 118 G C 0.344 175.311 174.900 0.112 0.000 1.212 118 G CA -0.402 44.883 45.100 0.308 0.000 0.939 118 G HN 0.178 nan 8.290 nan 0.000 0.513 119 R N -0.928 119.601 120.500 0.048 0.000 2.090 119 R HA 0.077 4.417 4.340 0.000 0.000 0.228 119 R C -0.067 176.004 176.300 -0.380 0.000 1.110 119 R CA 0.785 56.754 56.100 -0.218 0.000 0.973 119 R CB -0.036 30.065 30.300 -0.330 0.000 0.869 119 R HN 0.403 nan 8.270 nan 0.000 0.440 120 F N 0.114 120.137 119.950 0.121 0.000 2.538 120 F HA 0.360 4.887 4.527 0.000 0.000 0.325 120 F C 0.297 176.174 175.800 0.129 0.000 1.066 120 F CA -1.097 56.979 58.000 0.127 0.000 0.946 120 F CB 1.411 40.472 39.000 0.102 0.000 1.199 120 F HN -0.371 nan 8.300 nan 0.000 0.473 121 K N 2.414 123.001 120.400 0.311 0.000 2.360 121 K HA 0.447 4.768 4.320 0.000 0.000 0.235 121 K C -1.243 175.401 176.600 0.073 0.000 1.077 121 K CA -0.256 56.126 56.287 0.158 0.000 1.035 121 K CB 0.293 32.918 32.500 0.209 0.000 1.623 121 K HN 0.492 nan 8.250 nan 0.000 0.462 122 V N 3.633 123.585 119.914 0.064 0.000 2.655 122 V HA -0.024 4.096 4.120 0.000 0.000 0.300 122 V C -0.279 175.732 176.094 -0.139 0.000 1.044 122 V CA 0.142 62.462 62.300 0.034 0.000 1.095 122 V CB 0.098 31.976 31.823 0.093 0.000 0.952 122 V HN 0.479 nan 8.190 nan 0.000 0.485 123 Y N 4.295 124.576 120.300 -0.031 0.000 2.805 123 Y HA 0.435 4.985 4.550 0.000 0.000 0.339 123 Y C -0.090 175.907 175.900 0.161 0.000 1.012 123 Y CA -0.787 57.332 58.100 0.032 0.000 1.262 123 Y CB 1.397 39.804 38.460 -0.087 0.000 1.100 123 Y HN 0.580 nan 8.280 nan 0.000 0.559 124 L N 5.222 126.581 121.223 0.227 0.000 2.385 124 L HA 0.429 4.769 4.340 0.000 0.000 0.281 124 L C -0.826 176.181 176.870 0.229 0.000 1.106 124 L CA 0.108 55.081 54.840 0.222 0.000 0.856 124 L CB -0.382 41.769 42.059 0.152 0.000 1.186 124 L HN 0.381 nan 8.230 nan 0.000 0.453 125 I N 4.671 125.388 120.570 0.245 0.000 2.410 125 I HA 0.294 4.464 4.170 0.000 0.000 0.286 125 I C -0.596 175.625 176.117 0.174 0.000 1.009 125 I CA -0.711 60.713 61.300 0.206 0.000 1.111 125 I CB 1.540 39.664 38.000 0.206 0.000 1.262 125 I HN 0.489 nan 8.210 nan 0.000 0.443 126 D N 7.294 127.783 120.400 0.148 0.000 2.295 126 D HA 0.128 4.768 4.640 0.000 0.000 0.248 126 D C -0.110 176.280 176.300 0.149 0.000 1.154 126 D CA 0.304 54.388 54.000 0.139 0.000 0.857 126 D CB 0.749 41.617 40.800 0.113 0.000 1.117 126 D HN 0.555 nan 8.370 nan 0.000 0.468 127 E N 1.877 122.187 120.200 0.183 0.000 2.613 127 E HA -0.151 4.199 4.350 0.000 0.000 0.161 127 E C 1.116 177.878 176.600 0.270 0.000 1.664 127 E CA 0.262 56.834 56.400 0.286 0.000 0.661 127 E CB -0.980 28.899 29.700 0.298 0.000 1.098 127 E HN 0.407 nan 8.360 nan 0.000 0.364 128 V N -0.516 119.560 119.914 0.271 0.000 3.041 128 V HA -0.179 3.941 4.120 0.000 0.000 0.260 128 V C 2.059 178.337 176.094 0.307 0.000 1.105 128 V CA 1.678 64.101 62.300 0.204 0.000 1.125 128 V CB -0.522 31.353 31.823 0.087 0.000 0.730 128 V HN 0.708 nan 8.190 nan 0.000 0.479 129 H N -0.568 118.595 119.070 0.156 0.000 2.563 129 H HA 0.181 4.737 4.556 0.000 0.000 0.272 129 H C 1.315 176.704 175.328 0.103 0.000 1.005 129 H CA 0.689 56.835 56.048 0.162 0.000 1.171 129 H CB -0.191 29.626 29.762 0.091 0.000 1.351 129 H HN 0.497 nan 8.280 nan 0.000 0.602 130 M N 0.742 120.205 119.600 -0.230 0.000 2.496 130 M HA 0.281 4.761 4.480 0.000 0.000 0.330 130 M C -0.459 175.826 176.300 -0.025 0.000 1.133 130 M CA -0.083 55.084 55.300 -0.222 0.000 0.964 130 M CB 0.734 33.149 32.600 -0.308 0.000 1.401 130 M HN 0.017 nan 8.290 nan 0.000 0.520 131 L N 0.806 122.090 121.223 0.101 0.000 2.397 131 L HA 0.271 4.611 4.340 0.000 0.000 0.271 131 L C 0.700 177.650 176.870 0.132 0.000 1.148 131 L CA -0.577 54.359 54.840 0.159 0.000 0.825 131 L CB 1.042 43.257 42.059 0.259 0.000 1.117 131 L HN 0.307 nan 8.230 nan 0.000 0.456 132 S N 2.280 118.052 115.700 0.120 0.000 2.552 132 S HA 0.053 4.523 4.470 0.000 0.000 0.289 132 S C 1.059 175.667 174.600 0.013 0.000 1.304 132 S CA -0.489 57.766 58.200 0.091 0.000 1.063 132 S CB 0.628 63.993 63.200 0.275 0.000 0.848 132 S HN 0.617 nan 8.310 nan 0.000 0.499 133 R N 1.376 121.738 120.500 -0.232 0.000 2.211 133 R HA -0.176 4.164 4.340 0.000 0.000 0.240 133 R C 1.574 177.757 176.300 -0.195 0.000 1.144 133 R CA 2.137 58.069 56.100 -0.280 0.000 0.992 133 R CB -0.680 29.383 30.300 -0.395 0.000 0.869 133 R HN 0.837 nan 8.270 nan 0.000 0.462 134 H N -0.448 118.660 119.070 0.063 0.000 2.307 134 H HA -0.010 4.546 4.556 0.000 0.000 0.303 134 H C 2.284 177.657 175.328 0.074 0.000 1.073 134 H CA 1.520 57.602 56.048 0.058 0.000 1.338 134 H CB -0.106 29.680 29.762 0.039 0.000 1.389 134 H HN 0.200 nan 8.280 nan 0.000 0.503 135 S N -0.103 115.727 115.700 0.216 0.000 2.562 135 S HA -0.067 4.403 4.470 0.000 0.000 0.221 135 S C 1.747 176.410 174.600 0.106 0.000 0.975 135 S CA 0.032 58.314 58.200 0.137 0.000 0.918 135 S CB -0.423 62.852 63.200 0.126 0.000 0.772 135 S HN 0.361 nan 8.310 nan 0.000 0.531 136 F N 3.079 123.021 119.950 -0.015 0.000 2.187 136 F HA 0.128 4.655 4.527 0.000 0.000 0.295 136 F C 2.146 177.911 175.800 -0.058 0.000 1.091 136 F CA 1.091 59.063 58.000 -0.046 0.000 1.308 136 F CB -0.223 38.743 39.000 -0.057 0.000 1.030 136 F HN 0.171 nan 8.300 nan 0.000 0.487 137 N N 0.681 119.496 118.700 0.192 0.000 2.244 137 N HA -0.133 4.607 4.740 0.000 0.000 0.183 137 N C 1.963 177.467 175.510 -0.009 0.000 1.016 137 N CA 1.155 54.260 53.050 0.093 0.000 0.866 137 N CB -0.458 38.080 38.487 0.084 0.000 0.980 137 N HN 0.383 nan 8.380 nan 0.000 0.430 138 A N 1.068 123.880 122.820 -0.013 0.000 1.933 138 A HA -0.099 4.221 4.320 0.000 0.000 0.218 138 A C 2.233 179.747 177.584 -0.116 0.000 1.175 138 A CA 0.874 52.888 52.037 -0.040 0.000 0.628 138 A CB -0.555 18.441 19.000 -0.007 0.000 0.814 138 A HN 0.201 nan 8.150 nan 0.000 0.444 139 L N -0.405 120.692 121.223 -0.210 0.000 2.093 139 L HA -0.037 4.303 4.340 0.000 0.000 0.208 139 L C 2.298 178.950 176.870 -0.363 0.000 1.085 139 L CA 1.375 55.987 54.840 -0.379 0.000 0.755 139 L CB -0.427 41.306 42.059 -0.544 0.000 0.904 139 L HN 0.406 nan 8.230 nan 0.000 0.435 140 L N -0.585 120.467 121.223 -0.285 0.000 1.970 140 L HA -0.286 4.054 4.340 0.000 0.000 0.212 140 L C 2.570 179.358 176.870 -0.138 0.000 1.071 140 L CA 1.787 56.511 54.840 -0.194 0.000 0.751 140 L CB -0.605 41.402 42.059 -0.086 0.000 0.889 140 L HN 0.215 nan 8.230 nan 0.000 0.432 141 K N -0.828 119.513 120.400 -0.098 0.000 2.152 141 K HA -0.145 4.175 4.320 0.000 0.000 0.206 141 K C 1.890 178.445 176.600 -0.074 0.000 1.048 141 K CA 1.779 58.025 56.287 -0.069 0.000 0.933 141 K CB -0.277 32.196 32.500 -0.045 0.000 0.721 141 K HN 0.374 nan 8.250 nan 0.000 0.447 142 T N 1.226 115.724 114.554 -0.093 0.000 3.043 142 T HA 0.068 4.418 4.350 0.000 0.000 0.263 142 T C 1.764 176.435 174.700 -0.048 0.000 1.094 142 T CA 0.447 62.517 62.100 -0.050 0.000 1.127 142 T CB 0.100 68.969 68.868 0.001 0.000 0.905 142 T HN 0.092 nan 8.240 nan 0.000 0.490 143 L N 0.676 121.817 121.223 -0.136 0.000 2.131 143 L HA 0.035 4.375 4.340 0.000 0.000 0.206 143 L C 2.755 179.562 176.870 -0.105 0.000 1.087 143 L CA 1.046 55.806 54.840 -0.134 0.000 0.767 143 L CB -0.266 41.654 42.059 -0.231 0.000 0.917 143 L HN 0.203 nan 8.230 nan 0.000 0.441 144 E N 1.125 121.264 120.200 -0.101 0.000 2.085 144 E HA -0.182 4.168 4.350 0.000 0.000 0.194 144 E C 0.169 176.710 176.600 -0.097 0.000 0.994 144 E CA 1.281 57.629 56.400 -0.087 0.000 0.801 144 E CB 0.244 29.903 29.700 -0.070 0.000 0.743 144 E HN 0.354 nan 8.360 nan 0.000 0.453 145 E N 0.634 120.778 120.200 -0.093 0.000 2.761 145 E HA 0.241 4.591 4.350 0.000 0.000 0.266 145 E C -2.516 174.027 176.600 -0.095 0.000 1.097 145 E CA -1.702 54.636 56.400 -0.103 0.000 0.773 145 E CB 1.875 31.531 29.700 -0.073 0.000 1.453 145 E HN 0.207 nan 8.360 nan 0.000 0.388 146 P HA 0.358 nan 4.420 nan 0.000 0.296 146 P C -2.548 174.688 177.300 -0.106 0.000 1.301 146 P CA -1.742 61.310 63.100 -0.079 0.000 0.862 146 P CB 1.246 32.938 31.700 -0.012 0.000 1.046 147 P HA 0.159 nan 4.420 nan 0.000 0.272 147 P C 0.543 177.785 177.300 -0.096 0.000 1.240 147 P CA -0.029 62.973 63.100 -0.163 0.000 0.791 147 P CB 1.154 32.606 31.700 -0.413 0.000 0.978 148 E N -0.152 120.075 120.200 0.044 0.000 2.204 148 E HA -0.215 4.135 4.350 0.000 0.000 0.194 148 E C 1.724 178.441 176.600 0.196 0.000 0.989 148 E CA 1.402 57.906 56.400 0.173 0.000 0.824 148 E CB -0.633 29.174 29.700 0.177 0.000 0.756 148 E HN 0.689 nan 8.360 nan 0.000 0.477 149 H N -1.381 117.774 119.070 0.141 0.000 2.482 149 H HA 0.175 4.732 4.556 0.000 0.000 0.286 149 H C 0.536 176.010 175.328 0.242 0.000 1.017 149 H CA -0.045 56.078 56.048 0.123 0.000 1.322 149 H CB -0.066 29.725 29.762 0.047 0.000 1.426 149 H HN -0.135 nan 8.280 nan 0.000 0.546 150 V N 2.367 122.200 119.914 -0.134 0.000 2.546 150 V HA 0.249 4.369 4.120 0.000 0.000 0.284 150 V C -0.079 176.039 176.094 0.039 0.000 1.050 150 V CA -0.620 61.669 62.300 -0.018 0.000 0.981 150 V CB 1.354 33.079 31.823 -0.163 0.000 0.990 150 V HN 0.334 nan 8.190 nan 0.000 0.474 151 K N 3.591 123.990 120.400 -0.002 0.000 2.469 151 K HA 0.597 4.917 4.320 0.000 0.000 0.254 151 K C -1.404 175.132 176.600 -0.107 0.000 0.939 151 K CA -0.476 55.820 56.287 0.015 0.000 0.812 151 K CB 2.516 35.039 32.500 0.038 0.000 1.301 151 K HN 0.392 nan 8.250 nan 0.000 0.433 152 F N 1.147 121.199 119.950 0.170 0.000 2.492 152 F HA 0.509 5.036 4.527 0.000 0.000 0.327 152 F C 0.261 176.181 175.800 0.200 0.000 1.079 152 F CA -0.863 57.241 58.000 0.174 0.000 0.967 152 F CB 1.331 40.374 39.000 0.072 0.000 1.169 152 F HN 0.095 nan 8.300 nan 0.000 0.472 153 L N 5.001 126.480 121.223 0.426 0.000 2.462 153 L HA 0.396 4.736 4.340 0.000 0.000 0.255 153 L C -1.068 175.996 176.870 0.322 0.000 1.076 153 L CA -0.260 54.800 54.840 0.368 0.000 0.920 153 L CB 0.658 42.937 42.059 0.366 0.000 1.214 153 L HN 0.438 nan 8.230 nan 0.000 0.472 154 L N 2.170 123.525 121.223 0.220 0.000 2.371 154 L HA 0.730 5.070 4.340 0.000 0.000 0.272 154 L C 0.511 177.490 176.870 0.182 0.000 1.124 154 L CA -0.153 54.782 54.840 0.158 0.000 0.816 154 L CB 1.419 43.507 42.059 0.049 0.000 1.129 154 L HN 0.580 nan 8.230 nan 0.000 0.448 155 A N 2.168 125.096 122.820 0.180 0.000 2.423 155 A HA 0.957 5.277 4.320 0.000 0.000 0.304 155 A C -0.587 177.068 177.584 0.119 0.000 1.104 155 A CA -0.429 51.716 52.037 0.179 0.000 0.757 155 A CB 2.009 21.119 19.000 0.184 0.000 1.313 155 A HN 0.650 nan 8.150 nan 0.000 0.423 156 T N 0.042 114.635 114.554 0.064 0.000 2.893 156 T HA 0.364 4.714 4.350 0.000 0.000 0.337 156 T C 0.256 174.912 174.700 -0.073 0.000 1.587 156 T CA -0.077 62.011 62.100 -0.021 0.000 1.066 156 T CB 1.560 70.349 68.868 -0.131 0.000 1.414 156 T HN 0.514 nan 8.240 nan 0.000 0.488 157 T N 0.575 115.062 114.554 -0.112 0.000 3.037 157 T HA 0.184 4.534 4.350 0.000 0.000 0.252 157 T C -0.094 174.534 174.700 -0.119 0.000 1.073 157 T CA 0.449 62.513 62.100 -0.060 0.000 1.091 157 T CB 0.056 68.949 68.868 0.041 0.000 0.935 157 T HN 0.509 nan 8.240 nan 0.000 0.488 158 D N 0.513 120.730 120.400 -0.305 0.000 2.336 158 D HA 0.331 4.971 4.640 0.000 0.000 0.248 158 D C -2.242 173.891 176.300 -0.279 0.000 1.326 158 D CA -2.075 51.789 54.000 -0.227 0.000 0.973 158 D CB 1.843 42.560 40.800 -0.138 0.000 1.255 158 D HN -0.115 nan 8.370 nan 0.000 0.558 159 P HA -0.084 nan 4.420 nan 0.000 0.222 159 P C 1.103 178.377 177.300 -0.043 0.000 1.147 159 P CA 0.907 63.954 63.100 -0.089 0.000 0.790 159 P CB 0.384 32.062 31.700 -0.036 0.000 0.780 160 Q N -0.390 119.392 119.800 -0.030 0.000 2.230 160 Q HA -0.046 4.294 4.340 0.000 0.000 0.202 160 Q C 1.545 177.550 176.000 0.009 0.000 0.963 160 Q CA 0.874 56.675 55.803 -0.003 0.000 0.866 160 Q CB -0.223 28.517 28.738 0.004 0.000 0.931 160 Q HN 0.354 nan 8.270 nan 0.000 0.452 161 K N 0.331 120.741 120.400 0.016 0.000 2.551 161 K HA 0.104 4.424 4.320 0.000 0.000 0.192 161 K C -0.014 176.642 176.600 0.093 0.000 1.027 161 K CA 0.141 56.472 56.287 0.073 0.000 1.059 161 K CB 0.227 32.845 32.500 0.196 0.000 0.831 161 K HN 0.129 nan 8.250 nan 0.000 0.508 162 L N 3.065 124.333 121.223 0.076 0.000 2.272 162 L HA 0.281 4.621 4.340 0.000 0.000 0.289 162 L C -2.082 174.841 176.870 0.088 0.000 1.032 162 L CA -2.298 52.619 54.840 0.128 0.000 0.810 162 L CB 1.252 43.376 42.059 0.108 0.000 1.205 162 L HN -0.071 nan 8.230 nan 0.000 0.422 163 P HA -0.024 nan 4.420 nan 0.000 0.266 163 P C 0.964 178.299 177.300 0.058 0.000 1.195 163 P CA -0.224 62.917 63.100 0.067 0.000 0.768 163 P CB 1.131 32.883 31.700 0.087 0.000 0.838 164 V N 2.374 122.302 119.914 0.025 0.000 2.660 164 V HA -0.253 3.867 4.120 0.000 0.000 0.257 164 V C 2.596 178.693 176.094 0.006 0.000 1.088 164 V CA 2.599 64.904 62.300 0.009 0.000 1.106 164 V CB -2.253 29.569 31.823 -0.001 0.000 0.686 164 V HN 0.715 nan 8.190 nan 0.000 0.481 165 T N -1.947 112.619 114.554 0.020 0.000 2.881 165 T HA -0.061 4.289 4.350 0.000 0.000 0.270 165 T C 1.740 176.436 174.700 -0.007 0.000 1.068 165 T CA 1.477 63.584 62.100 0.012 0.000 1.131 165 T CB -0.229 68.657 68.868 0.031 0.000 0.871 165 T HN 0.452 nan 8.240 nan 0.000 0.479 166 I N -0.002 120.572 120.570 0.007 0.000 2.556 166 I HA 0.123 4.293 4.170 0.000 0.000 0.251 166 I C 2.493 178.576 176.117 -0.057 0.000 1.105 166 I CA 0.339 61.611 61.300 -0.047 0.000 1.436 166 I CB -0.176 37.799 38.000 -0.043 0.000 1.139 166 I HN 0.168 nan 8.210 nan 0.000 0.438 167 L N 0.975 122.179 121.223 -0.031 0.000 2.021 167 L HA -0.273 4.067 4.340 0.000 0.000 0.215 167 L C 2.743 179.575 176.870 -0.063 0.000 1.074 167 L CA 2.166 56.978 54.840 -0.047 0.000 0.760 167 L CB -0.715 41.327 42.059 -0.029 0.000 0.889 167 L HN 0.387 nan 8.230 nan 0.000 0.433 168 S N -0.763 114.908 115.700 -0.049 0.000 2.469 168 S HA -0.149 4.321 4.470 0.000 0.000 0.238 168 S C 1.812 176.378 174.600 -0.055 0.000 0.998 168 S CA 0.660 58.831 58.200 -0.049 0.000 0.957 168 S CB -0.316 62.863 63.200 -0.035 0.000 0.764 168 S HN 0.436 nan 8.310 nan 0.000 0.514 169 R N -0.397 120.064 120.500 -0.066 0.000 2.317 169 R HA 0.309 4.649 4.340 0.000 0.000 0.208 169 R C -0.342 175.913 176.300 -0.076 0.000 0.914 169 R CA -0.040 56.020 56.100 -0.067 0.000 1.060 169 R CB 0.007 30.256 30.300 -0.084 0.000 1.015 169 R HN 0.388 nan 8.270 nan 0.000 0.498 170 C N 0.252 119.488 119.300 -0.106 0.000 2.667 170 C HA 0.387 4.847 4.460 0.000 0.000 0.323 170 C C -0.309 174.550 174.990 -0.218 0.000 1.214 170 C CA -1.146 57.781 59.018 -0.152 0.000 1.721 170 C CB 1.540 29.188 27.740 -0.152 0.000 2.275 170 C HN 0.215 nan 8.230 nan 0.000 0.491 171 L N 2.857 123.874 121.223 -0.343 0.000 2.302 171 L HA 0.299 4.639 4.340 0.000 0.000 0.285 171 L C 0.166 176.730 176.870 -0.511 0.000 1.090 171 L CA 0.670 55.215 54.840 -0.491 0.000 0.866 171 L CB -0.230 41.386 42.059 -0.738 0.000 1.244 171 L HN 0.696 nan 8.230 nan 0.000 0.435 172 Q N 3.835 123.354 119.800 -0.468 0.000 2.373 172 Q HA 0.397 4.737 4.340 0.000 0.000 0.255 172 Q C -1.310 174.333 176.000 -0.595 0.000 0.980 172 Q CA 0.403 55.972 55.803 -0.389 0.000 0.882 172 Q CB 1.019 29.631 28.738 -0.210 0.000 1.249 172 Q HN 0.457 nan 8.270 nan 0.000 0.438 173 F N 0.639 120.577 119.950 -0.020 0.000 2.617 173 F HA 0.178 4.705 4.527 0.000 0.000 0.325 173 F C -0.414 175.466 175.800 0.134 0.000 1.179 173 F CA -0.712 57.347 58.000 0.098 0.000 0.965 173 F CB 1.441 40.566 39.000 0.209 0.000 1.232 173 F HN 0.522 nan 8.300 nan 0.000 0.461 174 H N 5.379 124.619 119.070 0.282 0.000 2.594 174 H HA 0.436 4.992 4.556 0.000 0.000 0.304 174 H C -0.764 174.657 175.328 0.155 0.000 1.068 174 H CA -0.232 55.921 56.048 0.175 0.000 1.308 174 H CB 0.958 30.779 29.762 0.100 0.000 1.409 174 H HN 0.548 nan 8.280 nan 0.000 0.460 175 L N 6.206 127.544 121.223 0.191 0.000 2.282 175 L HA 0.233 4.573 4.340 0.000 0.000 0.287 175 L C 0.991 177.971 176.870 0.183 0.000 1.075 175 L CA -0.323 54.600 54.840 0.140 0.000 0.839 175 L CB 0.551 42.631 42.059 0.035 0.000 1.219 175 L HN 0.393 nan 8.230 nan 0.000 0.434 179 D N -0.112 120.278 120.400 -0.017 0.000 2.357 179 D HA 0.337 4.977 4.640 0.000 0.000 0.242 179 D C 0.736 177.028 176.300 -0.013 0.000 1.153 179 D CA -0.323 53.668 54.000 -0.014 0.000 0.918 179 D CB 1.638 42.426 40.800 -0.020 0.000 1.181 179 D HN 0.257 nan 8.370 nan 0.000 0.435 180 V N 1.842 121.751 119.914 -0.008 0.000 2.220 180 V HA -0.192 3.928 4.120 0.000 0.000 0.246 180 V C 1.882 177.975 176.094 -0.002 0.000 1.049 180 V CA 1.775 64.072 62.300 -0.006 0.000 1.003 180 V CB -0.791 31.032 31.823 -0.000 0.000 0.634 180 V HN 0.710 nan 8.190 nan 0.000 0.444 181 E N -0.577 119.624 120.200 0.002 0.000 2.461 181 E HA -0.144 4.206 4.350 0.000 0.000 0.196 181 E C 1.882 178.492 176.600 0.017 0.000 1.129 181 E CA 0.133 56.542 56.400 0.015 0.000 0.902 181 E CB 0.071 29.779 29.700 0.015 0.000 0.963 181 E HN 0.612 nan 8.360 nan 0.000 0.503 182 Q N -0.278 119.520 119.800 -0.002 0.000 2.378 182 Q HA 0.088 4.428 4.340 0.000 0.000 0.229 182 Q C 1.766 177.770 176.000 0.006 0.000 0.882 182 Q CA 0.068 55.862 55.803 -0.014 0.000 0.936 182 Q CB 0.572 29.288 28.738 -0.036 0.000 1.092 182 Q HN 0.287 nan 8.270 nan 0.000 0.535 183 I N 0.220 120.788 120.570 -0.004 0.000 2.731 183 I HA -0.100 4.070 4.170 0.000 0.000 0.260 183 I C 2.556 178.656 176.117 -0.028 0.000 1.138 183 I CA 0.207 61.493 61.300 -0.023 0.000 1.461 183 I CB -0.183 37.797 38.000 -0.033 0.000 1.128 183 I HN 0.147 nan 8.210 nan 0.000 0.438 184 R N 0.962 121.456 120.500 -0.009 0.000 2.082 184 R HA -0.267 4.073 4.340 0.000 0.000 0.234 184 R C 2.386 178.677 176.300 -0.015 0.000 1.136 184 R CA 1.945 58.032 56.100 -0.022 0.000 0.935 184 R CB -0.988 29.314 30.300 0.002 0.000 0.842 184 R HN 0.400 nan 8.270 nan 0.000 0.430 185 H N 0.178 119.215 119.070 -0.056 0.000 2.426 185 H HA -0.179 4.378 4.556 0.000 0.000 0.298 185 H C 1.956 177.254 175.328 -0.050 0.000 1.107 185 H CA 2.313 58.334 56.048 -0.045 0.000 1.298 185 H CB 0.269 30.005 29.762 -0.042 0.000 1.377 185 H HN 0.313 nan 8.280 nan 0.000 0.519 186 Q N 0.696 120.514 119.800 0.031 0.000 2.049 186 Q HA -0.040 4.300 4.340 0.000 0.000 0.198 186 Q C 2.723 178.644 176.000 -0.132 0.000 0.971 186 Q CA 1.226 57.013 55.803 -0.027 0.000 0.833 186 Q CB -0.402 28.313 28.738 -0.038 0.000 0.896 186 Q HN 0.493 nan 8.270 nan 0.000 0.434 187 L N 0.438 121.557 121.223 -0.174 0.000 2.083 187 L HA -0.180 4.160 4.340 0.000 0.000 0.209 187 L C 2.528 179.212 176.870 -0.311 0.000 1.083 187 L CA 1.787 56.469 54.840 -0.263 0.000 0.752 187 L CB -0.514 41.412 42.059 -0.221 0.000 0.899 187 L HN 0.460 nan 8.230 nan 0.000 0.433 188 E N -0.554 119.480 120.200 -0.277 0.000 2.047 188 E HA -0.280 4.070 4.350 0.000 0.000 0.191 188 E C 2.238 178.711 176.600 -0.211 0.000 0.987 188 E CA 1.064 57.269 56.400 -0.326 0.000 0.799 188 E CB -0.097 29.469 29.700 -0.223 0.000 0.752 188 E HN 0.494 nan 8.360 nan 0.000 0.449 189 H N 0.760 119.670 119.070 -0.268 0.000 2.290 189 H HA -0.134 4.422 4.556 0.000 0.000 0.298 189 H C 2.231 177.473 175.328 -0.143 0.000 1.087 189 H CA 1.977 57.916 56.048 -0.182 0.000 1.291 189 H CB -0.148 29.522 29.762 -0.154 0.000 1.369 189 H HN 0.239 nan 8.280 nan 0.000 0.492 190 I N 0.802 121.182 120.570 -0.317 0.000 2.208 190 I HA -0.307 3.863 4.170 0.000 0.000 0.245 190 I C 2.749 178.687 176.117 -0.299 0.000 1.097 190 I CA 0.912 61.853 61.300 -0.598 0.000 1.363 190 I CB -0.238 36.920 38.000 -1.403 0.000 1.051 190 I HN 0.251 nan 8.210 nan 0.000 0.413 191 L N 0.366 121.418 121.223 -0.285 0.000 2.141 191 L HA -0.190 4.150 4.340 0.000 0.000 0.209 191 L C 2.170 178.997 176.870 -0.072 0.000 1.094 191 L CA 1.013 55.760 54.840 -0.156 0.000 0.763 191 L CB -0.665 41.261 42.059 -0.222 0.000 0.908 191 L HN 0.334 nan 8.230 nan 0.000 0.437 192 N N 0.038 118.671 118.700 -0.111 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 1.041 54.025 53.050 -0.111 0.000 0.866 192 N CB 0.008 38.440 38.487 -0.092 0.000 0.980 192 N HN 0.412 nan 8.380 nan 0.000 0.430 193 E N 0.180 120.248 120.200 -0.221 0.000 2.435 193 E HA -0.013 4.337 4.350 0.000 0.000 0.195 193 E C 0.604 177.140 176.600 -0.107 0.000 1.029 193 E CA 0.357 56.638 56.400 -0.198 0.000 0.865 193 E CB 0.289 29.918 29.700 -0.120 0.000 0.833 193 E HN 0.259 nan 8.360 nan 0.000 0.510 194 E N -0.204 119.988 120.200 -0.013 0.000 2.474 194 E HA -0.003 4.347 4.350 0.000 0.000 0.195 194 E C -0.398 176.281 176.600 0.132 0.000 1.039 194 E CA 0.065 56.523 56.400 0.096 0.000 0.881 194 E CB 0.285 30.081 29.700 0.161 0.000 0.970 194 E HN 0.248 nan 8.360 nan 0.000 0.486 195 H N -0.322 118.778 119.070 0.050 0.000 2.819 195 H HA -0.160 4.396 4.556 0.000 0.000 0.315 195 H C -0.333 175.021 175.328 0.043 0.000 1.242 195 H CA 0.666 56.737 56.048 0.038 0.000 1.157 195 H CB -2.047 27.732 29.762 0.027 0.000 1.451 195 H HN 0.178 nan 8.280 nan 0.000 0.430 196 I N 0.111 120.758 120.570 0.128 0.000 2.406 196 I HA 0.499 4.669 4.170 0.000 0.000 0.290 196 I C 1.042 177.238 176.117 0.132 0.000 0.999 196 I CA -0.578 60.787 61.300 0.109 0.000 1.124 196 I CB 1.848 39.897 38.000 0.081 0.000 1.289 196 I HN 0.292 nan 8.210 nan 0.000 0.441 197 A N 6.416 129.290 122.820 0.089 0.000 2.429 197 A HA 0.428 4.748 4.320 0.000 0.000 0.242 197 A C -0.166 177.493 177.584 0.124 0.000 1.088 197 A CA 0.401 52.467 52.037 0.047 0.000 0.784 197 A CB 0.131 19.137 19.000 0.010 0.000 1.038 197 A HN 0.981 nan 8.150 nan 0.000 0.501 198 H N -1.462 117.601 119.070 -0.012 0.000 2.984 198 H HA 0.433 4.989 4.556 0.000 0.000 0.298 198 H C -1.752 173.566 175.328 -0.018 0.000 1.378 198 H CA -0.723 55.313 56.048 -0.019 0.000 1.241 198 H CB 0.441 30.183 29.762 -0.032 0.000 1.894 198 H HN 0.602 nan 8.280 nan 0.000 0.511 199 E N 2.197 122.480 120.200 0.140 0.000 2.176 199 E HA 0.209 4.559 4.350 0.000 0.000 0.267 199 E C -1.808 174.882 176.600 0.150 0.000 0.893 199 E CA -2.265 54.179 56.400 0.073 0.000 0.761 199 E CB 2.522 32.241 29.700 0.033 0.000 1.133 199 E HN 0.374 nan 8.360 nan 0.000 0.409 200 P HA -0.212 nan 4.420 nan 0.000 0.218 200 P C 1.034 178.368 177.300 0.055 0.000 1.146 200 P CA 1.122 64.291 63.100 0.115 0.000 0.813 200 P CB 0.309 32.059 31.700 0.084 0.000 0.778 201 R N -0.578 119.946 120.500 0.040 0.000 2.275 201 R HA 0.148 4.488 4.340 0.000 0.000 0.199 201 R C 2.065 178.374 176.300 0.015 0.000 0.989 201 R CA 0.696 56.810 56.100 0.022 0.000 1.016 201 R CB -0.220 30.090 30.300 0.016 0.000 0.918 201 R HN 0.079 nan 8.270 nan 0.000 0.473 202 A N 0.530 123.364 122.820 0.023 0.000 1.903 202 A HA -0.018 4.302 4.320 0.000 0.000 0.213 202 A C 1.966 179.544 177.584 -0.009 0.000 1.185 202 A CA 0.545 52.588 52.037 0.010 0.000 0.628 202 A CB -0.202 18.812 19.000 0.024 0.000 0.830 202 A HN 0.238 nan 8.150 nan 0.000 0.446 203 L N -0.886 120.328 121.223 -0.015 0.000 2.093 203 L HA -0.203 4.137 4.340 0.000 0.000 0.208 203 L C 2.825 179.671 176.870 -0.040 0.000 1.085 203 L CA 1.627 56.432 54.840 -0.058 0.000 0.755 203 L CB -0.392 41.608 42.059 -0.099 0.000 0.904 203 L HN 0.471 nan 8.230 nan 0.000 0.435 204 Q N 0.591 120.381 119.800 -0.017 0.000 2.084 204 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 204 Q C 2.169 178.162 176.000 -0.012 0.000 0.978 204 Q CA 1.745 57.543 55.803 -0.009 0.000 0.844 204 Q CB -0.300 28.440 28.738 0.004 0.000 0.898 204 Q HN 0.440 nan 8.270 nan 0.000 0.426 205 L N -0.463 120.753 121.223 -0.011 0.000 2.083 205 L HA -0.185 4.155 4.340 0.000 0.000 0.209 205 L C 2.292 179.149 176.870 -0.022 0.000 1.083 205 L CA 0.964 55.797 54.840 -0.013 0.000 0.752 205 L CB -0.379 41.673 42.059 -0.012 0.000 0.899 205 L HN 0.296 nan 8.230 nan 0.000 0.433 206 L N -0.761 120.444 121.223 -0.031 0.000 2.156 206 L HA -0.105 4.235 4.340 0.000 0.000 0.208 206 L C 2.731 179.576 176.870 -0.042 0.000 1.095 206 L CA 0.854 55.669 54.840 -0.041 0.000 0.770 206 L CB -0.462 41.562 42.059 -0.058 0.000 0.914 206 L HN 0.200 nan 8.230 nan 0.000 0.439 207 A N -0.237 122.559 122.820 -0.040 0.000 2.014 207 A HA -0.129 4.191 4.320 0.000 0.000 0.218 207 A C 2.352 179.922 177.584 -0.023 0.000 1.163 207 A CA 1.103 53.119 52.037 -0.035 0.000 0.652 207 A CB -0.269 18.713 19.000 -0.030 0.000 0.808 207 A HN 0.312 nan 8.150 nan 0.000 0.449 208 R N -0.845 119.645 120.500 -0.018 0.000 2.090 208 R HA 0.144 4.484 4.340 0.000 0.000 0.219 208 R C 2.546 178.838 176.300 -0.013 0.000 1.100 208 R CA 0.820 56.913 56.100 -0.011 0.000 0.991 208 R CB -0.418 29.879 30.300 -0.006 0.000 0.893 208 R HN 0.450 nan 8.270 nan 0.000 0.443 209 A N 2.014 124.824 122.820 -0.017 0.000 1.881 209 A HA -0.164 4.156 4.320 0.000 0.000 0.219 209 A C 1.295 178.869 177.584 -0.016 0.000 1.215 209 A CA 1.858 53.885 52.037 -0.017 0.000 0.648 209 A CB -0.792 18.195 19.000 -0.022 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 -0.020 0.000 2.363 210 A HA 0.488 4.808 4.320 0.000 0.000 0.270 210 A C 0.051 177.627 177.584 -0.013 0.000 1.121 210 A CA -0.188 51.839 52.037 -0.017 0.000 0.800 210 A CB 0.133 19.119 19.000 -0.024 0.000 1.052 210 A HN 0.482 nan 8.150 nan 0.000 0.493 211 E N 2.001 122.196 120.200 -0.008 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 0.396 56.793 56.400 -0.004 0.000 0.814 211 E CB -0.049 29.651 29.700 0.000 0.000 1.098 211 E HN 1.269 nan 8.360 nan 0.000 0.407 212 G N 3.669 112.465 108.800 -0.008 0.000 2.225 212 G HA2 -0.306 3.654 3.960 0.000 0.000 0.267 212 G HA3 -0.306 3.654 3.960 0.000 0.000 0.267 212 G C 0.066 174.960 174.900 -0.010 0.000 1.024 212 G CA 0.726 45.821 45.100 -0.008 0.000 0.784 212 G HN 0.620 nan 8.290 nan 0.000 0.507 213 S N -0.979 114.713 115.700 -0.013 0.000 2.406 213 S HA 0.554 5.024 4.470 0.000 0.000 0.224 213 S C 1.049 175.636 174.600 -0.021 0.000 1.426 213 S CA -0.156 58.036 58.200 -0.014 0.000 1.179 213 S CB 1.588 64.783 63.200 -0.008 0.000 1.042 213 S HN 0.618 nan 8.310 nan 0.000 0.479 214 L N 3.176 124.384 121.223 -0.025 0.000 2.129 214 L HA -0.085 4.255 4.340 0.000 0.000 0.212 214 L C 2.457 179.311 176.870 -0.028 0.000 1.087 214 L CA 1.735 56.555 54.840 -0.033 0.000 0.757 214 L CB -0.544 41.498 42.059 -0.030 0.000 0.896 214 L HN 0.634 nan 8.230 nan 0.000 0.434 215 R N -0.479 120.012 120.500 -0.014 0.000 2.103 215 R HA -0.182 4.158 4.340 0.000 0.000 0.234 215 R C 1.946 178.239 176.300 -0.012 0.000 1.132 215 R CA 1.818 57.916 56.100 -0.004 0.000 0.925 215 R CB -0.916 29.385 30.300 0.000 0.000 0.842 215 R HN 0.405 nan 8.270 nan 0.000 0.430 216 D N 0.610 121.002 120.400 -0.013 0.000 2.182 216 D HA -0.163 4.477 4.640 0.000 0.000 0.201 216 D C 1.843 178.126 176.300 -0.029 0.000 0.986 216 D CA 1.499 55.490 54.000 -0.016 0.000 0.847 216 D CB -0.227 40.566 40.800 -0.011 0.000 0.942 216 D HN 0.343 nan 8.370 nan 0.000 0.467 217 A N 0.963 123.759 122.820 -0.040 0.000 1.877 217 A HA -0.144 4.176 4.320 0.000 0.000 0.216 217 A C 2.438 179.976 177.584 -0.077 0.000 1.186 217 A CA 0.973 52.974 52.037 -0.060 0.000 0.620 217 A CB -0.774 18.182 19.000 -0.073 0.000 0.822 217 A HN 0.181 nan 8.150 nan 0.000 0.443 218 L N -0.736 120.438 121.223 -0.081 0.000 1.994 218 L HA -0.167 4.173 4.340 0.000 0.000 0.208 218 L C 2.878 179.719 176.870 -0.049 0.000 1.071 218 L CA 1.543 56.327 54.840 -0.092 0.000 0.745 218 L CB -0.732 41.285 42.059 -0.071 0.000 0.892 218 L HN 0.304 nan 8.230 nan 0.000 0.431 219 S N 0.137 115.822 115.700 -0.024 0.000 2.380 219 S HA -0.189 4.281 4.470 0.000 0.000 0.229 219 S C 1.983 176.573 174.600 -0.017 0.000 1.043 219 S CA 1.447 59.641 58.200 -0.010 0.000 1.038 219 S CB -0.400 62.798 63.200 -0.004 0.000 0.872 219 S HN 0.276 nan 8.310 nan 0.000 0.456 220 L N 0.584 121.790 121.223 -0.028 0.000 2.093 220 L HA -0.094 4.246 4.340 0.000 0.000 0.208 220 L C 2.496 179.344 176.870 -0.037 0.000 1.085 220 L CA 1.142 55.964 54.840 -0.030 0.000 0.755 220 L CB -0.879 41.160 42.059 -0.034 0.000 0.904 220 L HN 0.305 nan 8.230 nan 0.000 0.435 221 T N -1.297 113.224 114.554 -0.054 0.000 2.995 221 T HA -0.113 4.237 4.350 0.000 0.000 0.269 221 T C 1.319 175.995 174.700 -0.039 0.000 1.091 221 T CA 0.864 62.926 62.100 -0.064 0.000 1.128 221 T CB -0.114 68.687 68.868 -0.112 0.000 0.891 221 T HN 0.298 nan 8.240 nan 0.000 0.492 222 D N 1.206 121.592 120.400 -0.023 0.000 2.194 222 D HA -0.016 4.624 4.640 0.000 0.000 0.204 222 D C 2.278 178.580 176.300 0.003 0.000 0.964 222 D CA 0.736 54.735 54.000 -0.000 0.000 0.846 222 D CB -0.070 40.738 40.800 0.014 0.000 0.962 222 D HN 0.433 nan 8.370 nan 0.000 0.490 223 Q N 0.573 120.371 119.800 -0.004 0.000 2.016 223 Q HA -0.075 4.265 4.340 0.000 0.000 0.200 223 Q C 2.272 178.269 176.000 -0.004 0.000 0.978 223 Q CA 1.275 57.077 55.803 -0.002 0.000 0.833 223 Q CB -0.117 28.617 28.738 -0.007 0.000 0.895 223 Q HN 0.174 nan 8.270 nan 0.000 0.427 224 A N 0.817 123.631 122.820 -0.011 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 1.300 53.331 52.037 -0.010 0.000 0.636 224 A CB -0.639 18.349 19.000 -0.019 0.000 0.815 224 A HN 0.321 nan 8.150 nan 0.000 0.449 225 I N -0.694 119.876 120.570 0.000 0.000 2.193 225 I HA -0.205 3.965 4.170 0.000 0.000 0.240 225 I C 2.983 179.107 176.117 0.013 0.000 1.084 225 I CA 0.944 62.250 61.300 0.010 0.000 1.365 225 I CB -0.375 37.635 38.000 0.016 0.000 1.064 225 I HN 0.334 nan 8.210 nan 0.000 0.410 226 A N 0.525 123.352 122.820 0.013 0.000 1.940 226 A HA -0.244 4.076 4.320 0.000 0.000 0.219 226 A C 2.384 179.973 177.584 0.008 0.000 1.176 226 A CA 2.397 54.442 52.037 0.013 0.000 0.631 226 A CB -0.762 18.247 19.000 0.014 0.000 0.814 226 A HN 0.545 nan 8.150 nan 0.000 0.446 227 S N -1.846 113.857 115.700 0.004 0.000 2.548 227 S HA 0.291 4.761 4.470 0.000 0.000 0.215 227 S C 1.386 175.987 174.600 0.001 0.000 0.976 227 S CA 0.721 58.922 58.200 0.001 0.000 0.908 227 S CB 0.029 63.227 63.200 -0.003 0.000 0.781 227 S HN 0.664 nan 8.310 nan 0.000 0.519 228 G N 0.411 109.213 108.800 0.004 0.000 3.453 228 G HA2 0.254 4.214 3.960 0.000 0.000 0.263 228 G HA3 0.254 4.214 3.960 0.000 0.000 0.263 228 G C -0.266 174.639 174.900 0.008 0.000 1.060 228 G CA -0.237 44.866 45.100 0.005 0.000 0.793 228 G HN 0.358 nan 8.290 nan 0.000 0.532 229 D N 0.036 120.441 120.400 0.008 0.000 3.003 229 D HA -0.110 4.530 4.640 0.000 0.000 0.223 229 D C 1.606 177.913 176.300 0.013 0.000 1.204 229 D CA 1.791 55.796 54.000 0.009 0.000 0.828 229 D CB -1.199 39.605 40.800 0.006 0.000 0.918 229 D HN 0.940 nan 8.370 nan 0.000 0.401 230 G N 1.221 110.032 108.800 0.018 0.000 2.225 230 G HA2 -0.322 3.638 3.960 0.000 0.000 0.254 230 G HA3 -0.322 3.638 3.960 0.000 0.000 0.254 230 G C 0.270 175.187 174.900 0.029 0.000 0.988 230 G CA 0.544 45.658 45.100 0.024 0.000 0.625 230 G HN 0.587 nan 8.290 nan 0.000 0.527 231 Q N -0.383 119.432 119.800 0.024 0.000 2.353 231 Q HA 0.583 4.923 4.340 0.000 0.000 0.268 231 Q C -0.396 175.622 176.000 0.030 0.000 1.045 231 Q CA -0.816 55.005 55.803 0.030 0.000 0.811 231 Q CB 2.927 31.677 28.738 0.021 0.000 1.305 231 Q HN 0.146 nan 8.270 nan 0.000 0.447 232 V N 2.668 122.610 119.914 0.046 0.000 2.162 232 V HA 0.117 4.237 4.120 0.000 0.000 0.255 232 V C 0.012 176.134 176.094 0.047 0.000 1.304 232 V CA -0.241 62.081 62.300 0.036 0.000 1.198 232 V CB -0.446 31.393 31.823 0.027 0.000 1.333 232 V HN 0.734 nan 8.190 nan 0.000 0.493 233 S N 1.490 117.206 115.700 0.027 0.000 2.578 233 S HA 0.295 4.765 4.470 0.000 0.000 0.283 233 S C 1.245 175.853 174.600 0.012 0.000 1.195 233 S CA -0.257 57.956 58.200 0.021 0.000 1.050 233 S CB 1.602 64.809 63.200 0.012 0.000 1.012 233 S HN 0.498 nan 8.310 nan 0.000 0.511 234 T N 1.989 116.550 114.554 0.012 0.000 2.737 234 T HA -0.184 4.166 4.350 0.000 0.000 0.269 234 T C 1.592 176.291 174.700 -0.003 0.000 1.040 234 T CA 1.771 63.874 62.100 0.004 0.000 1.142 234 T CB -0.430 68.441 68.868 0.005 0.000 0.861 234 T HN 0.738 nan 8.240 nan 0.000 0.456 235 Q N -0.044 119.754 119.800 -0.003 0.000 2.488 235 Q HA 0.204 4.544 4.340 0.000 0.000 0.211 235 Q C 2.318 178.313 176.000 -0.008 0.000 0.967 235 Q CA 0.758 56.556 55.803 -0.007 0.000 0.926 235 Q CB -0.061 28.674 28.738 -0.006 0.000 0.992 235 Q HN 0.601 nan 8.270 nan 0.000 0.506 236 A N -0.478 122.338 122.820 -0.006 0.000 1.993 236 A HA 0.057 4.377 4.320 0.000 0.000 0.207 236 A C 2.064 179.641 177.584 -0.011 0.000 1.224 236 A CA 0.122 52.155 52.037 -0.007 0.000 0.749 236 A CB 0.070 19.069 19.000 -0.002 0.000 0.884 236 A HN 0.132 nan 8.150 nan 0.000 0.467 237 V N 1.107 121.015 119.914 -0.011 0.000 2.255 237 V HA -0.196 3.924 4.120 0.000 0.000 0.243 237 V C 2.942 179.024 176.094 -0.020 0.000 1.038 237 V CA 2.352 64.643 62.300 -0.015 0.000 1.008 237 V CB -0.849 30.966 31.823 -0.014 0.000 0.645 237 V HN 0.758 nan 8.190 nan 0.000 0.449 238 S N 1.268 116.957 115.700 -0.019 0.000 2.441 238 S HA -0.238 4.232 4.470 0.000 0.000 0.242 238 S C 1.866 176.446 174.600 -0.034 0.000 1.018 238 S CA 1.670 59.855 58.200 -0.024 0.000 0.988 238 S CB -0.552 62.635 63.200 -0.021 0.000 0.778 238 S HN 0.613 nan 8.310 nan 0.000 0.498 239 A N 0.979 123.780 122.820 -0.031 0.000 1.984 239 A HA 0.389 4.709 4.320 0.000 0.000 0.214 239 A C 2.246 179.806 177.584 -0.039 0.000 1.173 239 A CA 0.715 52.730 52.037 -0.037 0.000 0.673 239 A CB -0.482 18.500 19.000 -0.030 0.000 0.830 239 A HN 0.508 nan 8.150 nan 0.000 0.453 240 M N -0.062 119.519 119.600 -0.031 0.000 2.067 240 M HA -0.022 4.458 4.480 0.000 0.000 0.260 240 M C 0.634 176.913 176.300 -0.035 0.000 1.069 240 M CA 1.082 56.365 55.300 -0.029 0.000 1.117 240 M CB -0.472 32.114 32.600 -0.023 0.000 1.334 240 M HN 0.319 nan 8.290 nan 0.000 0.407 244 L N 2.201 123.389 121.223 -0.058 0.000 2.514 244 L HA 0.178 4.518 4.340 0.000 0.000 0.280 244 L C 0.537 177.393 176.870 -0.024 0.000 1.223 244 L CA -0.203 54.611 54.840 -0.043 0.000 0.864 244 L CB 0.156 42.194 42.059 -0.034 0.000 1.118 244 L HN 0.632 nan 8.230 nan 0.000 0.494 245 D N 1.232 121.620 120.400 -0.020 0.000 2.414 245 D HA -0.028 4.612 4.640 0.000 0.000 0.242 245 D C 0.733 177.030 176.300 -0.005 0.000 1.129 245 D CA -0.070 53.923 54.000 -0.011 0.000 0.885 245 D CB 0.742 41.536 40.800 -0.010 0.000 1.198 245 D HN 0.394 nan 8.370 nan 0.000 0.437 246 D N 0.765 121.165 120.400 0.000 0.000 2.411 246 D HA -0.147 4.493 4.640 0.000 0.000 0.226 246 D C 1.114 177.417 176.300 0.004 0.000 0.988 246 D CA 0.720 54.723 54.000 0.005 0.000 0.938 246 D CB 0.242 41.047 40.800 0.009 0.000 0.883 246 D HN 0.399 nan 8.370 nan 0.000 0.525 247 D N -0.343 120.058 120.400 0.001 0.000 2.323 247 D HA -0.028 4.612 4.640 0.000 0.000 0.218 247 D C 1.783 178.085 176.300 0.002 0.000 0.973 247 D CA 0.606 54.606 54.000 0.002 0.000 0.890 247 D CB 0.268 41.068 40.800 0.000 0.000 1.011 247 D HN 0.096 nan 8.370 nan 0.000 0.499 248 Q N 0.276 120.076 119.800 -0.000 0.000 2.050 248 Q HA -0.068 4.272 4.340 0.000 0.000 0.202 248 Q C 2.231 178.235 176.000 0.006 0.000 0.980 248 Q CA 1.688 57.491 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 0.290 nan 8.270 nan 0.000 0.424 249 A N 0.885 123.708 122.820 0.005 0.000 1.898 249 A HA -0.145 4.175 4.320 0.000 0.000 0.216 249 A C 2.066 179.658 177.584 0.013 0.000 1.181 249 A CA 1.052 53.096 52.037 0.012 0.000 0.620 249 A CB -0.567 18.441 19.000 0.013 0.000 0.819 249 A HN 0.329 nan 8.150 nan 0.000 0.442 250 L N 0.683 121.911 121.223 0.009 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 0.001 0.000 1.092 250 L CA 2.577 57.419 54.840 0.004 0.000 0.759 250 L CB -0.511 41.550 42.059 0.003 0.000 0.903 250 L HN 0.391 nan 8.230 nan 0.000 0.435 251 S N -0.904 114.798 115.700 0.004 0.000 2.387 251 S HA -0.121 4.349 4.470 0.000 0.000 0.226 251 S C 2.013 176.618 174.600 0.008 0.000 1.026 251 S CA 1.169 59.372 58.200 0.005 0.000 0.972 251 S CB -0.644 62.560 63.200 0.008 0.000 0.814 251 S HN 0.442 nan 8.310 nan 0.000 0.477 252 L N 1.396 122.628 121.223 0.015 0.000 2.012 252 L HA -0.117 4.223 4.340 0.000 0.000 0.210 252 L C 2.496 179.372 176.870 0.008 0.000 1.073 252 L CA 1.147 56.002 54.840 0.024 0.000 0.748 252 L CB -0.672 41.410 42.059 0.038 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 2.268 178.316 176.094 -0.075 0.000 1.059 253 V CA 1.911 64.183 62.300 -0.046 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 0.196 120.372 120.200 -0.039 0.000 2.072 254 E HA -0.085 4.265 4.350 0.000 0.000 0.190 254 E C 2.365 178.958 176.600 -0.012 0.000 0.982 254 E CA 1.085 57.467 56.400 -0.032 0.000 0.803 254 E CB -0.367 29.324 29.700 -0.014 0.000 0.755 254 E HN 0.586 nan 8.360 nan 0.000 0.453 255 A N 1.641 124.461 122.820 0.001 0.000 1.873 255 A HA -0.265 4.055 4.320 0.000 0.000 0.218 255 A C 2.189 179.793 177.584 0.034 0.000 1.193 255 A CA 1.697 53.745 52.037 0.018 0.000 0.629 255 A CB -0.618 18.397 19.000 0.025 0.000 0.826 255 A HN 0.244 nan 8.150 nan 0.000 0.447 256 M N -0.272 119.346 119.600 0.031 0.000 2.082 256 M HA -0.163 4.317 4.480 0.000 0.000 0.258 256 M C 1.922 178.303 176.300 0.135 0.000 1.069 256 M CA 2.094 57.441 55.300 0.078 0.000 1.102 256 M CB -0.236 32.380 32.600 0.027 0.000 1.336 256 M HN 0.255 nan 8.290 nan 0.000 0.404 257 V N 0.179 120.083 119.914 -0.017 0.000 2.667 257 V HA -0.201 3.919 4.120 0.000 0.000 0.252 257 V C 1.618 177.884 176.094 0.286 0.000 1.065 257 V CA 1.684 64.022 62.300 0.064 0.000 1.083 257 V CB -0.772 30.958 31.823 -0.156 0.000 0.692 257 V HN 0.519 nan 8.190 nan 0.000 0.468 258 E N 0.254 120.525 120.200 0.117 0.000 2.435 258 E HA 0.314 4.664 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 -0.016 29.695 29.700 0.020 0.000 0.833 258 E HN 0.497 nan 8.360 nan 0.000 0.510 259 A N 2.336 125.140 122.820 -0.026 0.000 2.872 259 A HA -0.196 4.125 4.320 0.000 0.000 0.273 259 A C -0.160 177.379 177.584 -0.074 0.000 1.442 259 A CA 0.757 52.709 52.037 -0.142 0.000 0.801 259 A CB -2.569 16.070 19.000 -0.602 0.000 1.031 259 A HN 0.463 nan 8.150 nan 0.000 0.582 260 N N 0.231 118.918 118.700 -0.021 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 0.006 0.000 0.987 260 N CA -0.042 53.000 53.050 -0.014 0.000 0.940 260 N CB 0.896 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 1.927 110.730 108.800 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 0.018 0.000 1.171 261 G CA 0.600 45.710 45.100 0.016 0.000 0.775 261 G HN 0.712 nan 8.290 nan 0.000 0.543 262 E N 0.138 120.345 120.200 0.011 0.000 2.049 262 E HA -0.237 4.113 4.350 0.000 0.000 0.198 262 E C 2.495 179.106 176.600 0.019 0.000 1.007 262 E CA 1.174 57.581 56.400 0.013 0.000 0.809 262 E CB -0.189 29.516 29.700 0.008 0.000 0.749 262 E HN 0.402 nan 8.360 nan 0.000 0.450 263 R N 0.013 120.523 120.500 0.017 0.000 2.103 263 R HA -0.175 4.165 4.340 0.000 0.000 0.242 263 R C 2.320 178.638 176.300 0.030 0.000 1.142 263 R CA 1.671 57.783 56.100 0.021 0.000 0.960 263 R CB -0.206 30.104 30.300 0.016 0.000 0.858 263 R HN 0.133 nan 8.270 nan 0.000 0.439 264 V N 0.895 120.829 119.914 0.035 0.000 2.237 264 V HA -0.308 3.812 4.120 0.000 0.000 0.245 264 V C 2.445 178.572 176.094 0.054 0.000 1.046 264 V CA 1.767 64.095 62.300 0.047 0.000 1.007 264 V CB -0.395 31.460 31.823 0.053 0.000 0.638 264 V HN 0.344 nan 8.190 nan 0.000 0.445 265 M N 0.060 119.687 119.600 0.045 0.000 2.202 265 M HA -0.110 4.370 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 1.991 57.318 55.300 0.045 0.000 1.097 265 M CB -1.791 30.826 32.600 0.028 0.000 1.382 265 M HN 0.416 nan 8.290 nan 0.000 0.413 266 A N 0.183 123.029 122.820 0.043 0.000 1.898 266 A HA -0.088 4.232 4.320 0.000 0.000 0.216 266 A C 2.341 179.956 177.584 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 -0.514 120.741 121.223 0.053 0.000 2.093 267 L HA -0.128 4.212 4.340 0.000 0.000 0.208 267 L C 2.371 179.292 176.870 0.085 0.000 1.085 267 L CA 0.959 55.833 54.840 0.056 0.000 0.755 267 L CB -0.479 41.608 42.059 0.048 0.000 0.904 267 L HN 0.375 nan 8.230 nan 0.000 0.435 268 I N -0.279 120.362 120.570 0.118 0.000 2.315 268 I HA -0.254 3.916 4.170 0.000 0.000 0.248 268 I C 2.425 178.686 176.117 0.240 0.000 1.117 268 I CA 0.943 62.368 61.300 0.208 0.000 1.404 268 I CB -0.426 37.693 38.000 0.198 0.000 1.071 268 I HN 0.373 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 0.110 0.000 1.034 269 N CA 1.576 54.705 53.050 0.132 0.000 0.846 269 N CB -0.078 38.456 38.487 0.079 0.000 1.010 269 N HN 0.364 nan 8.380 nan 0.000 0.425 270 E N -0.152 120.093 120.200 0.075 0.000 2.209 270 E HA -0.132 4.218 4.350 0.000 0.000 0.196 270 E C 1.587 178.207 176.600 0.034 0.000 0.993 270 E CA 1.077 57.505 56.400 0.046 0.000 0.819 270 E CB -0.063 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 0.875 123.722 122.820 0.045 0.000 1.930 271 A HA 0.109 4.429 4.320 0.000 0.000 0.215 271 A C 2.366 179.913 177.584 -0.061 0.000 1.176 271 A CA 1.154 53.181 52.037 -0.018 0.000 0.632 271 A CB -0.522 18.465 19.000 -0.022 0.000 0.819 271 A HN 0.380 nan 8.150 nan 0.000 0.445 272 A N 0.155 123.017 122.820 0.071 0.000 1.978 272 A HA 0.129 4.450 4.320 0.000 0.000 0.220 272 A C 2.430 180.046 177.584 0.052 0.000 1.170 272 A CA 1.967 54.081 52.037 0.128 0.000 0.636 272 A CB -0.912 18.332 19.000 0.407 0.000 0.810 272 A HN 1.039 nan 8.150 nan 0.000 0.448 273 A N 0.804 123.651 122.820 0.045 0.000 1.940 273 A HA -0.187 4.133 4.320 0.000 0.000 0.219 273 A C 2.023 179.603 177.584 -0.006 0.000 1.176 273 A CA 1.516 53.568 52.037 0.025 0.000 0.631 273 A CB -0.460 18.555 19.000 0.025 0.000 0.814 273 A HN 0.701 nan 8.150 nan 0.000 0.446 274 R N -0.662 119.817 120.500 -0.034 0.000 2.449 274 R HA 0.356 4.696 4.340 0.000 0.000 0.262 274 R C 0.732 176.982 176.300 -0.084 0.000 1.006 274 R CA 0.314 56.383 56.100 -0.050 0.000 1.104 274 R CB -0.940 29.330 30.300 -0.050 0.000 1.206 274 R HN 0.648 nan 8.270 nan 0.000 0.538 275 G N 2.516 111.260 108.800 -0.093 0.000 2.363 275 G HA2 -0.263 3.697 3.960 0.000 0.000 0.286 275 G HA3 -0.263 3.697 3.960 0.000 0.000 0.286 275 G C 0.112 174.875 174.900 -0.228 0.000 0.975 275 G CA 0.107 45.131 45.100 -0.127 0.000 1.309 275 G HN 0.417 nan 8.290 nan 0.000 0.491 276 I N -0.635 119.681 120.570 -0.424 0.000 3.378 276 I HA 0.337 4.507 4.170 0.000 0.000 0.284 276 I C 0.657 176.446 176.117 -0.547 0.000 1.157 276 I CA -0.334 60.645 61.300 -0.535 0.000 1.193 276 I CB 0.439 37.920 38.000 -0.865 0.000 1.461 276 I HN 0.065 nan 8.210 nan 0.000 0.674 277 E N 1.388 121.332 120.200 -0.426 0.000 2.183 277 E HA 0.100 4.450 4.350 0.000 0.000 0.250 277 E C -0.027 176.446 176.600 -0.211 0.000 0.901 277 E CA -0.312 55.942 56.400 -0.244 0.000 0.741 277 E CB 0.849 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 1.652 122.952 121.300 0.001 0.000 2.296 278 W HA -0.257 4.403 4.660 0.000 0.000 0.296 278 W C 2.081 178.600 176.519 0.000 0.000 1.220 278 W CA 1.279 58.625 57.345 0.002 0.000 1.223 278 W CB 0.014 29.476 29.460 0.002 0.000 1.139 278 W HN 0.567 nan 8.180 nan 0.000 0.534 279 E N 0.578 120.881 120.200 0.171 0.000 2.051 279 E HA -0.208 4.142 4.350 0.000 0.000 0.192 279 E C 2.289 178.925 176.600 0.061 0.000 0.991 279 E CA 1.890 58.351 56.400 0.101 0.000 0.799 279 E CB -0.489 29.248 29.700 0.062 0.000 0.748 279 E HN 0.112 nan 8.360 nan 0.000 0.449 280 A N 0.892 123.725 122.820 0.021 0.000 1.940 280 A HA -0.183 4.137 4.320 0.000 0.000 0.219 280 A C 2.280 179.867 177.584 0.004 0.000 1.176 280 A CA 1.455 53.490 52.037 -0.004 0.000 0.631 280 A CB -0.865 18.110 19.000 -0.041 0.000 0.814 280 A HN 0.450 nan 8.150 nan 0.000 0.446 281 L N -0.895 120.334 121.223 0.010 0.000 2.191 281 L HA -0.128 4.212 4.340 0.000 0.000 0.212 281 L C 2.267 179.176 176.870 0.064 0.000 1.103 281 L CA 0.999 55.858 54.840 0.032 0.000 0.769 281 L CB -0.127 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 -2.069 119.197 121.223 0.073 0.000 2.068 282 L HA -0.134 4.206 4.340 0.000 0.000 0.204 282 L C 2.373 179.262 176.870 0.032 0.000 1.076 282 L CA 0.534 55.407 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 0.014 nan 8.230 nan 0.000 0.439 283 V N -0.186 119.744 119.914 0.028 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 1.752 64.066 62.300 0.024 0.000 1.010 283 V CB -0.527 31.306 31.823 0.017 0.000 0.637 283 V HN 0.435 nan 8.190 nan 0.000 0.444 284 E N -0.556 119.664 120.200 0.033 0.000 2.160 284 E HA -0.203 4.147 4.350 0.000 0.000 0.195 284 E C 2.115 178.748 176.600 0.056 0.000 0.991 284 E CA 1.331 57.754 56.400 0.039 0.000 0.810 284 E CB -0.326 29.387 29.700 0.022 0.000 0.742 284 E HN 0.564 nan 8.360 nan 0.000 0.466 285 M N -0.121 119.513 119.600 0.057 0.000 2.200 285 M HA -0.075 4.405 4.480 0.000 0.000 0.265 285 M C 2.317 178.682 176.300 0.109 0.000 1.066 285 M CA 0.850 56.191 55.300 0.068 0.000 1.127 285 M CB -0.158 32.478 32.600 0.060 0.000 1.379 285 M HN 0.074 nan 8.290 nan 0.000 0.420 286 L N -0.601 120.688 121.223 0.111 0.000 1.976 286 L HA -0.129 4.211 4.340 0.000 0.000 0.209 286 L C 2.680 179.740 176.870 0.316 0.000 1.071 286 L CA 1.573 56.538 54.840 0.208 0.000 0.746 286 L CB -1.318 40.784 42.059 0.072 0.000 0.890 286 L HN 0.366 nan 8.230 nan 0.000 0.432 287 G N -0.178 108.742 108.800 0.200 0.000 2.442 287 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 287 G HA3 -0.233 3.727 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 0.672 45.887 45.100 0.192 0.000 0.763 287 G HN 0.217 nan 8.290 nan 0.000 0.554 288 L N -0.265 121.039 121.223 0.135 0.000 2.046 288 L HA -0.006 4.334 4.340 0.000 0.000 0.208 288 L C 2.896 179.823 176.870 0.095 0.000 1.077 288 L CA 0.593 55.489 54.840 0.092 0.000 0.747 288 L CB -0.279 41.816 42.059 0.059 0.000 0.896 288 L HN 0.201 nan 8.230 nan 0.000 0.432 289 L N -1.158 120.151 121.223 0.143 0.000 2.141 289 L HA -0.248 4.092 4.340 0.000 0.000 0.209 289 L C 2.606 179.532 176.870 0.093 0.000 1.094 289 L CA 1.050 55.972 54.840 0.137 0.000 0.763 289 L CB -0.581 41.627 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 2.428 177.721 175.328 -0.059 0.000 1.082 290 H CA 1.710 57.696 56.048 -0.103 0.000 1.308 290 H CB 0.060 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 -0.164 120.270 120.500 -0.110 0.000 2.105 291 R HA -0.092 4.248 4.340 0.000 0.000 0.239 291 R C 2.446 178.658 176.300 -0.147 0.000 1.135 291 R CA 1.655 57.645 56.100 -0.182 0.000 0.967 291 R CB -0.231 30.044 30.300 -0.042 0.000 0.861 291 R HN 0.448 nan 8.270 nan 0.000 0.442 292 I N 0.108 120.629 120.570 -0.081 0.000 2.394 292 I HA -0.220 3.950 4.170 0.000 0.000 0.251 292 I C 2.502 178.571 176.117 -0.081 0.000 1.136 292 I CA 1.017 62.280 61.300 -0.060 0.000 1.425 292 I CB -0.345 37.639 38.000 -0.027 0.000 1.079 292 I HN 0.168 nan 8.210 nan 0.000 0.425 293 A N 0.886 123.637 122.820 -0.116 0.000 1.898 293 A HA -0.152 4.168 4.320 0.000 0.000 0.216 293 A C 2.398 179.897 177.584 -0.141 0.000 1.181 293 A CA 1.208 53.175 52.037 -0.117 0.000 0.620 293 A CB -0.349 18.568 19.000 -0.138 0.000 0.819 293 A HN 0.230 nan 8.150 nan 0.000 0.442 294 M N -0.380 119.089 119.600 -0.219 0.000 2.086 294 M HA -0.106 4.374 4.480 0.000 0.000 0.261 294 M C 2.163 178.394 176.300 -0.114 0.000 1.067 294 M CA 1.309 56.494 55.300 -0.192 0.000 1.116 294 M CB -1.198 31.238 32.600 -0.273 0.000 1.348 294 M HN 0.228 nan 8.290 nan 0.000 0.407 295 V N 0.591 120.443 119.914 -0.103 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 -0.065 0.000 1.103 295 V CB -0.931 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 -1.217 118.552 119.800 -0.052 0.000 2.432 296 Q HA 0.015 4.355 4.340 0.000 0.000 0.205 296 Q C 1.886 177.866 176.000 -0.034 0.000 0.945 296 Q CA 0.547 56.329 55.803 -0.035 0.000 0.924 296 Q CB 0.134 28.854 28.738 -0.031 0.000 1.016 296 Q HN 0.513 nan 8.270 nan 0.000 0.503 297 L N -0.276 120.921 121.223 -0.043 0.000 2.265 297 L HA 0.109 4.449 4.340 0.000 0.000 0.195 297 L C 0.413 177.264 176.870 -0.032 0.000 1.083 297 L CA 1.005 55.823 54.840 -0.037 0.000 0.798 297 L CB 0.476 42.508 42.059 -0.045 0.000 0.989 297 L HN -0.019 nan 8.230 nan 0.000 0.472 298 S N -0.139 115.539 115.700 -0.037 0.000 2.718 298 S HA 0.439 4.909 4.470 0.000 0.000 0.294 298 S C -1.900 172.682 174.600 -0.031 0.000 1.157 298 S CA -1.240 56.942 58.200 -0.030 0.000 1.121 298 S CB 0.944 64.127 63.200 -0.028 0.000 1.015 298 S HN 0.187 nan 8.310 nan 0.000 0.479 299 P HA -0.124 nan 4.420 nan 0.000 0.227 299 P C 1.027 178.315 177.300 -0.020 0.000 1.145 299 P CA 1.072 64.159 63.100 -0.022 0.000 0.769 299 P CB -0.057 31.634 31.700 -0.016 0.000 0.769 300 A N -0.362 122.447 122.820 -0.020 0.000 2.251 300 A HA 0.384 4.704 4.320 0.000 0.000 0.209 300 A C 2.324 179.896 177.584 -0.020 0.000 1.187 300 A CA 0.696 52.724 52.037 -0.016 0.000 0.823 300 A CB -0.783 18.209 19.000 -0.013 0.000 0.846 300 A HN 0.199 nan 8.150 nan 0.000 0.486 301 A N 0.292 123.094 122.820 -0.029 0.000 1.948 301 A HA 0.001 4.321 4.320 0.000 0.000 0.220 301 A C 1.122 178.688 177.584 -0.029 0.000 1.177 301 A CA 0.597 52.611 52.037 -0.037 0.000 0.636 301 A CB -0.683 18.279 19.000 -0.063 0.000 0.815 301 A HN 0.495 nan 8.150 nan 0.000 0.449 302 L N 0.142 121.351 121.223 -0.024 0.000 2.559 302 L HA 0.199 4.539 4.340 0.000 0.000 0.282 302 L C 1.309 178.177 176.870 -0.005 0.000 1.232 302 L CA -0.147 54.684 54.840 -0.015 0.000 0.885 302 L CB -0.066 41.986 42.059 -0.012 0.000 1.131 302 L HN 0.360 nan 8.230 nan 0.000 0.498 303 G N 1.406 110.208 108.800 0.003 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 0.721 175.626 174.900 0.009 0.000 1.213 303 G CA -0.423 44.682 45.100 0.009 0.000 0.926 303 G HN 0.789 nan 8.290 nan 0.000 0.523 304 N N -0.571 118.136 118.700 0.012 0.000 2.106 304 N HA -0.130 4.610 4.740 0.000 0.000 0.188 304 N C 1.360 176.878 175.510 0.013 0.000 1.029 304 N CA 1.186 54.245 53.050 0.013 0.000 0.848 304 N CB 0.032 38.529 38.487 0.018 0.000 1.007 304 N HN 0.502 nan 8.380 nan 0.000 0.423 305 D N 0.243 120.652 120.400 0.016 0.000 2.363 305 D HA 0.005 4.645 4.640 0.000 0.000 0.220 305 D C 1.711 178.018 176.300 0.011 0.000 0.994 305 D CA 0.112 54.121 54.000 0.015 0.000 0.890 305 D CB 0.035 40.846 40.800 0.018 0.000 0.906 305 D HN 0.196 nan 8.370 nan 0.000 0.530 306 M N -0.054 119.553 119.600 0.010 0.000 2.446 306 M HA -0.041 4.439 4.480 0.000 0.000 0.263 306 M C 2.098 178.401 176.300 0.005 0.000 1.066 306 M CA 0.371 55.676 55.300 0.008 0.000 1.087 306 M CB -0.851 31.754 32.600 0.007 0.000 1.406 306 M HN 0.025 nan 8.290 nan 0.000 0.459 307 A N 0.731 123.554 122.820 0.005 0.000 1.997 307 A HA -0.160 4.160 4.320 0.000 0.000 0.221 307 A C 2.453 180.038 177.584 0.002 0.000 1.172 307 A CA 2.175 54.213 52.037 0.003 0.000 0.645 307 A CB -0.768 18.234 19.000 0.003 0.000 0.813 307 A HN 0.511 nan 8.150 nan 0.000 0.454 308 A N 0.086 122.907 122.820 0.003 0.000 1.933 308 A HA -0.047 4.273 4.320 0.000 0.000 0.218 308 A C 2.034 179.619 177.584 0.001 0.000 1.175 308 A CA 1.560 53.599 52.037 0.002 0.000 0.628 308 A CB -0.530 18.471 19.000 0.002 0.000 0.814 308 A HN 1.199 nan 8.150 nan 0.000 0.444 309 I N -2.840 117.732 120.570 0.002 0.000 3.956 309 I HA 0.240 4.410 4.170 0.000 0.000 0.333 309 I C 1.476 177.593 176.117 -0.000 0.000 1.302 309 I CA 0.863 62.164 61.300 0.001 0.000 1.122 309 I CB -0.003 37.999 38.000 0.002 0.000 1.013 309 I HN 0.385 nan 8.210 nan 0.000 0.405 310 E N 1.442 121.641 120.200 -0.000 0.000 2.130 310 E HA -0.284 4.066 4.350 0.000 0.000 0.196 310 E C 2.066 178.664 176.600 -0.003 0.000 0.998 310 E CA 1.910 58.309 56.400 -0.002 0.000 0.806 310 E CB -0.072 29.627 29.700 -0.002 0.000 0.738 310 E HN 0.626 nan 8.360 nan 0.000 0.459 311 L N 0.720 121.942 121.223 -0.002 0.000 2.056 311 L HA -0.084 4.256 4.340 0.000 0.000 0.207 311 L C 2.303 179.171 176.870 -0.003 0.000 1.078 311 L CA 1.646 56.485 54.840 -0.002 0.000 0.749 311 L CB -0.178 41.880 42.059 -0.001 0.000 0.901 311 L HN -0.014 nan 8.230 nan 0.000 0.433 312 R N -1.717 118.781 120.500 -0.003 0.000 2.073 312 R HA -0.046 4.294 4.340 0.000 0.000 0.229 312 R C 2.195 178.492 176.300 -0.006 0.000 1.120 312 R CA 1.461 57.559 56.100 -0.004 0.000 0.967 312 R CB -0.319 29.980 30.300 -0.003 0.000 0.862 312 R HN 0.262 nan 8.270 nan 0.000 0.436 313 M N 0.419 120.016 119.600 -0.006 0.000 2.080 313 M HA -0.188 4.292 4.480 0.000 0.000 0.260 313 M C 2.050 178.343 176.300 -0.012 0.000 1.068 313 M CA 1.737 57.031 55.300 -0.009 0.000 1.109 313 M CB -0.764 31.830 32.600 -0.009 0.000 1.342 313 M HN 0.114 nan 8.290 nan 0.000 0.405 314 R N -0.467 120.027 120.500 -0.010 0.000 2.115 314 R HA -0.169 4.171 4.340 0.000 0.000 0.230 314 R C 2.126 178.421 176.300 -0.007 0.000 1.111 314 R CA 1.270 57.364 56.100 -0.010 0.000 0.976 314 R CB -0.216 30.079 30.300 -0.008 0.000 0.870 314 R HN 0.333 nan 8.270 nan 0.000 0.445 315 E N 1.177 121.374 120.200 -0.005 0.000 2.028 315 E HA -0.134 4.216 4.350 0.000 0.000 0.191 315 E C 1.884 178.483 176.600 -0.002 0.000 0.988 315 E CA 1.164 57.562 56.400 -0.002 0.000 0.799 315 E CB -0.239 29.460 29.700 -0.001 0.000 0.755 315 E HN 0.176 nan 8.360 nan 0.000 0.447 316 L N 0.266 121.485 121.223 -0.006 0.000 1.990 316 L HA -0.282 4.058 4.340 0.000 0.000 0.213 316 L C 2.595 179.463 176.870 -0.004 0.000 1.072 316 L CA 1.434 56.269 54.840 -0.008 0.000 0.755 316 L CB -0.905 41.142 42.059 -0.020 0.000 0.889 316 L HN 0.257 nan 8.230 nan 0.000 0.432 317 A N 1.192 124.007 122.820 -0.009 0.000 1.929 317 A HA -0.316 4.004 4.320 0.000 0.000 0.221 317 A C 2.283 179.864 177.584 -0.004 0.000 1.211 317 A CA 2.811 54.842 52.037 -0.010 0.000 0.657 317 A CB -0.714 18.276 19.000 -0.017 0.000 0.827 317 A HN 0.637 nan 8.150 nan 0.000 0.462 318 R N -0.880 119.619 120.500 -0.001 0.000 2.210 318 R HA 0.025 4.365 4.340 0.000 0.000 0.203 318 R C 1.747 178.052 176.300 0.009 0.000 1.010 318 R CA 1.684 57.785 56.100 0.002 0.000 1.008 318 R CB -0.980 29.320 30.300 0.001 0.000 0.923 318 R HN 0.490 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 0.280 4.630 4.350 0.000 0.000 0.255 319 T C 0.858 175.576 174.700 0.031 0.000 1.073 319 T CA 0.006 62.118 62.100 0.020 0.000 1.125 319 T CB -0.042 68.838 68.868 0.020 0.000 0.908 319 T HN 0.111 nan 8.240 nan 0.000 0.480 320 I N 2.856 123.444 120.570 0.030 0.000 2.321 320 I HA 0.376 4.546 4.170 0.000 0.000 0.291 320 I C -2.663 173.482 176.117 0.047 0.000 0.998 320 I CA -2.961 58.369 61.300 0.049 0.000 1.227 320 I CB 1.532 39.560 38.000 0.047 0.000 1.368 320 I HN -0.122 nan 8.210 nan 0.000 0.466 321 P HA 0.017 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 -0.887 62.236 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 1.678 64.790 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 0.259 114.822 114.554 0.015 0.000 2.674 323 T HA -0.132 4.218 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 2.012 64.112 62.100 0.002 0.000 1.150 323 T CB -0.869 67.996 68.868 -0.006 0.000 0.864 323 T HN 0.130 nan 8.240 nan 0.000 0.427 324 D N 0.925 121.328 120.400 0.005 0.000 2.104 324 D HA -0.033 4.607 4.640 0.000 0.000 0.194 324 D C 2.009 178.371 176.300 0.104 0.000 0.994 324 D CA 0.798 54.782 54.000 -0.026 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 0.638 121.333 120.570 0.208 0.000 2.454 325 I HA -0.241 3.929 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 0.843 62.309 61.300 0.276 0.000 1.433 325 I CB -0.079 38.001 38.000 0.134 0.000 1.082 325 I HN 0.009 nan 8.210 nan 0.000 0.432 326 Q N 0.182 120.046 119.800 0.106 0.000 2.123 326 Q HA -0.157 4.183 4.340 0.000 0.000 0.199 326 Q C 2.209 178.270 176.000 0.100 0.000 0.966 326 Q CA 1.236 57.096 55.803 0.095 0.000 0.845 326 Q CB -0.350 28.411 28.738 0.039 0.000 0.907 326 Q HN 0.474 nan 8.270 nan 0.000 0.439 327 L N -0.575 120.641 121.223 -0.011 0.000 1.994 327 L HA -0.156 4.184 4.340 0.000 0.000 0.208 327 L C 1.972 178.801 176.870 -0.068 0.000 1.071 327 L CA 1.858 56.628 54.840 -0.116 0.000 0.745 327 L CB -1.406 40.490 42.059 -0.271 0.000 0.892 327 L HN 0.031 nan 8.230 nan 0.000 0.431 328 Y N -1.159 119.166 120.300 0.042 0.000 2.165 328 Y HA -0.282 4.268 4.550 0.000 0.000 0.286 328 Y C 2.645 178.598 175.900 0.089 0.000 1.155 328 Y CA 2.378 60.510 58.100 0.054 0.000 1.164 328 Y CB -1.247 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 0.738 121.139 120.300 0.167 0.000 2.242 329 Y HA -0.273 4.277 4.550 0.000 0.000 0.291 329 Y C 2.594 178.529 175.900 0.059 0.000 1.137 329 Y CA 1.889 60.052 58.100 0.104 0.000 1.181 329 Y CB -0.381 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 -0.750 119.107 119.800 0.095 0.000 2.049 330 Q HA -0.144 4.196 4.340 0.000 0.000 0.198 330 Q C 2.040 177.995 176.000 -0.075 0.000 0.971 330 Q CA 2.267 58.062 55.803 -0.012 0.000 0.833 330 Q CB -0.161 28.589 28.738 0.020 0.000 0.896 330 Q HN 0.434 nan 8.270 nan 0.000 0.434 331 T N 1.591 116.117 114.554 -0.047 0.000 2.635 331 T HA -0.189 4.161 4.350 0.000 0.000 0.267 331 T C 1.740 176.419 174.700 -0.035 0.000 1.040 331 T CA 1.549 63.623 62.100 -0.044 0.000 1.156 331 T CB -0.328 68.541 68.868 0.002 0.000 0.863 331 T HN 0.260 nan 8.240 nan 0.000 0.430 332 L N -0.016 121.189 121.223 -0.031 0.000 2.201 332 L HA -0.001 4.339 4.340 0.000 0.000 0.212 332 L C 2.405 179.203 176.870 -0.119 0.000 1.105 332 L CA 0.585 55.396 54.840 -0.048 0.000 0.775 332 L CB -0.460 41.584 42.059 -0.025 0.000 0.913 332 L HN 0.205 nan 8.230 nan 0.000 0.440 333 L N -0.020 121.073 121.223 -0.217 0.000 2.049 333 L HA -0.116 4.224 4.340 0.000 0.000 0.203 333 L C 2.347 179.152 176.870 -0.108 0.000 1.074 333 L CA 1.451 56.156 54.840 -0.225 0.000 0.749 333 L CB -0.178 41.685 42.059 -0.327 0.000 0.907 333 L HN 0.008 nan 8.230 nan 0.000 0.439 334 I N -0.109 120.406 120.570 -0.091 0.000 2.236 334 I HA -0.314 3.856 4.170 0.000 0.000 0.249 334 I C 2.321 178.422 176.117 -0.028 0.000 1.102 334 I CA 1.544 62.812 61.300 -0.054 0.000 1.365 334 I CB -0.895 37.068 38.000 -0.062 0.000 1.051 334 I HN 0.488 nan 8.210 nan 0.000 0.420 335 G N -0.071 108.713 108.800 -0.027 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 0.013 0.000 1.121 335 G CA 0.447 45.547 45.100 0.001 0.000 0.766 335 G HN 0.322 nan 8.290 nan 0.000 0.553 336 R N 0.308 120.805 120.500 -0.005 0.000 2.127 336 R HA 0.104 4.444 4.340 0.000 0.000 0.217 336 R C 2.361 178.680 176.300 0.032 0.000 1.074 336 R CA 0.805 56.911 56.100 0.009 0.000 0.991 336 R CB -0.128 30.162 30.300 -0.017 0.000 0.895 336 R HN 0.242 nan 8.270 nan 0.000 0.450 337 K N 0.468 120.886 120.400 0.029 0.000 2.026 337 K HA -0.159 4.161 4.320 0.000 0.000 0.208 337 K C 1.897 178.582 176.600 0.141 0.000 1.048 337 K CA 1.907 58.233 56.287 0.065 0.000 0.929 337 K CB -0.045 32.475 32.500 0.033 0.000 0.713 337 K HN 0.337 nan 8.250 nan 0.000 0.439 338 E N 1.059 121.326 120.200 0.113 0.000 2.031 338 E HA -0.220 4.130 4.350 0.000 0.000 0.193 338 E C 2.007 178.720 176.600 0.188 0.000 0.994 338 E CA 0.824 57.323 56.400 0.166 0.000 0.800 338 E CB -0.321 29.427 29.700 0.079 0.000 0.752 338 E HN 0.069 nan 8.360 nan 0.000 0.447 339 L N 1.419 122.698 121.223 0.093 0.000 2.223 339 L HA -0.252 4.088 4.340 0.000 0.000 0.230 339 L C -0.908 175.965 176.870 0.004 0.000 1.110 339 L CA 2.425 57.294 54.840 0.049 0.000 0.834 339 L CB -1.225 40.859 42.059 0.041 0.000 0.915 339 L HN 0.118 nan 8.230 nan 0.000 0.450 340 P HA -0.073 nan 4.420 nan 0.000 0.231 340 P C 0.754 177.861 177.300 -0.323 0.000 1.168 340 P CA 1.240 64.194 63.100 -0.244 0.000 0.779 340 P CB -0.051 31.398 31.700 -0.417 0.000 0.844 341 Y N -0.695 119.603 120.300 -0.003 0.000 2.497 341 Y HA 0.358 4.908 4.550 0.000 0.000 0.265 341 Y C 1.500 177.394 175.900 -0.010 0.000 1.111 341 Y CA -0.459 57.637 58.100 -0.005 0.000 1.288 341 Y CB -0.704 37.753 38.460 -0.005 0.000 1.082 341 Y HN -0.182 nan 8.280 nan 0.000 0.536 342 A N 2.365 125.249 122.820 0.108 0.000 2.483 342 A HA 0.067 4.387 4.320 0.000 0.000 0.238 342 A C -0.955 176.638 177.584 0.016 0.000 1.070 342 A CA -0.901 51.165 52.037 0.048 0.000 0.770 342 A CB -0.191 18.817 19.000 0.013 0.000 1.008 342 A HN 0.168 nan 8.150 nan 0.000 0.497 343 P HA -0.095 nan 4.420 nan 0.000 0.219 343 P C -0.016 177.267 177.300 -0.029 0.000 1.146 343 P CA 1.886 64.981 63.100 -0.008 0.000 0.808 343 P CB -0.037 31.656 31.700 -0.012 0.000 0.779 344 D N -2.444 117.925 120.400 -0.051 0.000 2.937 344 D HA 0.161 4.801 4.640 0.000 0.000 0.215 344 D C 1.156 177.384 176.300 -0.121 0.000 1.274 344 D CA -0.739 53.213 54.000 -0.079 0.000 0.869 344 D CB 1.280 42.024 40.800 -0.093 0.000 1.675 344 D HN -0.387 nan 8.370 nan 0.000 0.538 345 R N 1.888 122.324 120.500 -0.107 0.000 2.096 345 R HA -0.171 4.169 4.340 0.000 0.000 0.240 345 R C 1.995 178.084 176.300 -0.350 0.000 1.139 345 R CA 1.463 57.496 56.100 -0.112 0.000 0.952 345 R CB -0.228 30.094 30.300 0.038 0.000 0.854 345 R HN 0.510 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 -0.089 4.251 4.340 0.000 0.000 0.232 346 R C 2.231 178.105 176.300 -0.710 0.000 1.117 346 R CA 1.315 56.593 56.100 -1.369 0.000 0.981 346 R CB -0.081 29.431 30.300 -1.313 0.000 0.870 346 R HN 0.219 nan 8.270 nan 0.000 0.451 347 M N -0.588 118.777 119.600 -0.391 0.000 2.193 347 M HA -0.009 4.471 4.480 0.000 0.000 0.265 347 M C 2.034 178.242 176.300 -0.153 0.000 1.071 347 M CA 1.694 56.857 55.300 -0.228 0.000 1.140 347 M CB -0.179 32.333 32.600 -0.148 0.000 1.369 347 M HN 0.366 nan 8.290 nan 0.000 0.423 348 G N -0.167 108.559 108.800 -0.124 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 1.256 176.131 174.900 -0.042 0.000 1.150 348 G CA 1.346 46.414 45.100 -0.053 0.000 0.763 348 G HN 0.410 nan 8.290 nan 0.000 0.561 349 V N 0.669 120.539 119.914 -0.073 0.000 2.515 349 V HA -0.142 3.978 4.120 0.000 0.000 0.250 349 V C 2.573 178.658 176.094 -0.015 0.000 1.058 349 V CA 2.078 64.374 62.300 -0.007 0.000 1.064 349 V CB -0.492 31.373 31.823 0.069 0.000 0.675 349 V HN 0.486 nan 8.190 nan 0.000 0.461 350 E N -0.318 119.832 120.200 -0.083 0.000 2.107 350 E HA -0.194 4.156 4.350 0.000 0.000 0.191 350 E C 2.092 178.687 176.600 -0.008 0.000 0.982 350 E CA 1.306 57.677 56.400 -0.048 0.000 0.809 350 E CB -0.197 29.448 29.700 -0.092 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 -0.015 0.000 2.200 351 M HA -0.087 4.394 4.480 0.000 0.000 0.265 351 M C 2.095 178.419 176.300 0.040 0.000 1.066 351 M CA 1.537 56.844 55.300 0.012 0.000 1.127 351 M CB -0.171 32.430 32.600 0.003 0.000 1.379 351 M HN -0.096 nan 8.290 nan 0.000 0.420 352 T N 0.627 115.203 114.554 0.036 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 63.708 62.100 0.051 0.000 1.140 352 T CB -0.348 68.545 68.868 0.042 0.000 0.864 352 T HN 0.355 nan 8.240 nan 0.000 0.455 353 L N 0.068 121.337 121.223 0.076 0.000 2.095 353 L HA 0.143 4.483 4.340 0.000 0.000 0.204 353 L C 2.294 179.229 176.870 0.108 0.000 1.080 353 L CA 0.758 55.657 54.840 0.099 0.000 0.759 353 L CB -0.337 41.773 42.059 0.086 0.000 0.914 353 L HN 0.211 nan 8.230 nan 0.000 0.439 354 L N -0.567 120.703 121.223 0.080 0.000 2.353 354 L HA -0.204 4.136 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 0.879 55.763 54.840 0.073 0.000 0.798 354 L CB -0.396 41.688 42.059 0.042 0.000 0.922 354 L HN 0.269 nan 8.230 nan 0.000 0.445 355 R N -0.201 120.386 120.500 0.145 0.000 2.057 355 R HA -0.038 4.302 4.340 0.000 0.000 0.224 355 R C 2.453 178.940 176.300 0.312 0.000 1.136 355 R CA 1.082 57.335 56.100 0.256 0.000 0.968 355 R CB -0.206 30.230 30.300 0.228 0.000 0.863 355 R HN 0.288 nan 8.270 nan 0.000 0.433 356 A N 1.061 124.017 122.820 0.228 0.000 1.948 356 A HA -0.188 4.132 4.320 0.000 0.000 0.220 356 A C 1.925 179.679 177.584 0.283 0.000 1.177 356 A CA 1.250 53.432 52.037 0.243 0.000 0.636 356 A CB -0.433 18.731 19.000 0.274 0.000 0.815 356 A HN 0.193 nan 8.150 nan 0.000 0.449 357 L N -0.868 120.494 121.223 0.231 0.000 2.072 357 L HA -0.001 4.339 4.340 0.000 0.000 0.205 357 L C 2.894 179.842 176.870 0.131 0.000 1.079 357 L CA 1.842 56.799 54.840 0.196 0.000 0.752 357 L CB -1.153 40.974 42.059 0.114 0.000 0.906 357 L HN 0.393 nan 8.230 nan 0.000 0.436 358 A N -2.068 120.789 122.820 0.061 0.000 2.014 358 A HA -0.092 4.229 4.320 0.000 0.000 0.218 358 A C 1.612 179.060 177.584 -0.226 0.000 1.163 358 A CA 0.954 52.915 52.037 -0.126 0.000 0.652 358 A CB -0.593 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 -0.901 119.080 119.950 0.052 0.000 2.684 359 F HA 0.220 4.747 4.527 0.000 0.000 0.298 359 F C 0.686 176.492 175.800 0.010 0.000 1.120 359 F CA -0.632 57.378 58.000 0.016 0.000 1.332 359 F CB -0.256 38.731 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 0.037 4.593 4.556 0.000 0.000 0.328 360 H C -1.342 174.011 175.328 0.042 0.000 1.030 360 H CA -1.157 54.934 56.048 0.073 0.000 1.445 360 H CB 1.076 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 -0.139 nan 4.420 nan 0.000 0.217 361 P C 0.910 178.291 177.300 0.135 0.000 1.151 361 P CA 1.065 64.156 63.100 -0.016 0.000 0.828 361 P CB 0.512 32.124 31.700 -0.147 0.000 0.788 362 R N -1.110 119.586 120.500 0.326 0.000 2.223 362 R HA 0.354 4.694 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 0.395 56.660 56.100 0.275 0.000 1.018 362 R CB -0.215 30.258 30.300 0.290 0.000 0.945 362 R HN 0.345 nan 8.270 nan 0.000 0.479 363 M N -0.071 119.689 119.600 0.266 0.000 2.389 363 M HA 0.334 4.814 4.480 0.000 0.000 0.291 363 M C -2.851 173.450 176.300 0.001 0.000 1.128 363 M CA -1.457 53.861 55.300 0.030 0.000 0.942 363 M CB 3.868 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 -1.603 175.675 177.300 -0.035 0.000 1.233 364 P CA -0.819 62.287 63.100 0.010 0.000 1.182 364 P CB 1.584 33.301 31.700 0.028 0.000 1.704 365 L N 1.754 122.948 121.223 -0.048 0.000 2.513 365 L HA 0.247 4.587 4.340 0.000 0.000 0.272 365 L C -1.295 175.538 176.870 -0.062 0.000 1.187 365 L CA -0.988 53.818 54.840 -0.056 0.000 0.895 365 L CB -0.546 41.475 42.059 -0.063 0.000 1.147 365 L HN 0.300 nan 8.230 nan 0.000 0.483 366 P HA 0.453 nan 4.420 nan 0.000 0.280 366 P C -0.895 176.382 177.300 -0.039 0.000 1.272 366 P CA -0.568 62.508 63.100 -0.040 0.000 0.819 366 P CB 1.925 33.607 31.700 -0.030 0.000 1.122 367 E N -0.356 119.824 120.200 -0.033 0.000 2.401 367 E HA 0.405 4.755 4.350 0.000 0.000 0.280 367 E C -2.116 174.471 176.600 -0.022 0.000 1.039 367 E CA -0.984 55.399 56.400 -0.029 0.000 0.814 367 E CB 1.541 31.220 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 31.693 31.700 -0.012 0.000 0.726