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 2hdq_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.463 177.584 -0.202 0.000 1.274 4 A CA 0.000 51.946 52.037 -0.152 0.000 0.836 4 A CB 0.000 18.846 19.000 -0.257 0.000 0.831 5 P HA 0.048 nan 4.420 nan 0.000 0.262 5 P C 0.827 178.010 177.300 -0.193 0.000 1.182 5 P CA 0.110 63.056 63.100 -0.257 0.000 0.761 5 P CB 0.601 32.078 31.700 -0.372 0.000 0.795 6 Q N 2.992 122.725 119.800 -0.111 0.000 2.142 6 Q HA -0.316 4.024 4.340 -0.000 0.000 0.213 6 Q C 1.599 177.552 176.000 -0.079 0.000 1.004 6 Q CA 2.170 57.932 55.803 -0.069 0.000 0.883 6 Q CB -0.136 28.574 28.738 -0.045 0.000 0.939 6 Q HN 0.556 nan 8.270 nan 0.000 0.413 7 Q N -0.451 119.280 119.800 -0.116 0.000 2.135 7 Q HA -0.122 4.217 4.340 -0.000 0.000 0.204 7 Q C 2.257 178.175 176.000 -0.137 0.000 0.981 7 Q CA 1.447 57.180 55.803 -0.117 0.000 0.856 7 Q CB -0.049 28.609 28.738 -0.134 0.000 0.902 7 Q HN 0.485 nan 8.270 nan 0.000 0.425 8 I N 0.591 121.039 120.570 -0.204 0.000 2.163 8 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 8 I C 1.940 178.028 176.117 -0.049 0.000 1.081 8 I CA 0.761 61.955 61.300 -0.176 0.000 1.353 8 I CB -0.479 37.335 38.000 -0.311 0.000 1.054 8 I HN 0.251 nan 8.210 nan 0.000 0.407 9 N N 0.971 119.691 118.700 0.034 0.000 2.036 9 N HA -0.263 4.477 4.740 -0.000 0.000 0.195 9 N C 1.545 177.092 175.510 0.060 0.000 1.037 9 N CA 2.073 55.197 53.050 0.123 0.000 0.855 9 N CB -0.573 37.982 38.487 0.112 0.000 1.033 9 N HN 0.361 nan 8.380 nan 0.000 0.423 10 D N 0.881 121.299 120.400 0.031 0.000 2.103 10 D HA -0.138 4.502 4.640 -0.000 0.000 0.190 10 D C 1.874 178.193 176.300 0.032 0.000 0.997 10 D CA 0.761 54.788 54.000 0.047 0.000 0.833 10 D CB -0.276 40.533 40.800 0.014 0.000 0.961 10 D HN 0.118 nan 8.370 nan 0.000 0.447 11 I N -0.268 120.292 120.570 -0.018 0.000 2.439 11 I HA -0.123 4.047 4.170 -0.000 0.000 0.251 11 I C 2.150 178.242 176.117 -0.043 0.000 1.139 11 I CA 0.674 61.956 61.300 -0.030 0.000 1.438 11 I CB -0.176 37.796 38.000 -0.047 0.000 1.085 11 I HN -0.047 nan 8.210 nan 0.000 0.427 12 V N 0.042 119.896 119.914 -0.099 0.000 2.307 12 V HA -0.301 3.819 4.120 -0.000 0.000 0.245 12 V C 2.518 178.618 176.094 0.011 0.000 1.045 12 V CA 2.231 64.431 62.300 -0.166 0.000 1.024 12 V CB -0.974 30.463 31.823 -0.644 0.000 0.651 12 V HN 0.532 nan 8.190 nan 0.000 0.449 13 H N 0.606 119.660 119.070 -0.027 0.000 2.389 13 H HA -0.037 4.519 4.556 -0.000 0.000 0.299 13 H C 2.374 177.739 175.328 0.061 0.000 1.081 13 H CA 1.693 57.797 56.048 0.093 0.000 1.345 13 H CB -0.040 29.777 29.762 0.092 0.000 1.393 13 H HN 0.261 nan 8.280 nan 0.000 0.520 14 R N -1.114 119.354 120.500 -0.052 0.000 2.235 14 R HA -0.002 4.338 4.340 -0.000 0.000 0.213 14 R C 1.396 177.643 176.300 -0.089 0.000 1.059 14 R CA 1.504 57.539 56.100 -0.108 0.000 0.997 14 R CB 0.307 30.582 30.300 -0.041 0.000 0.884 14 R HN 0.331 nan 8.270 nan 0.000 0.462 15 T N 0.109 114.626 114.554 -0.062 0.000 3.087 15 T HA 0.137 4.487 4.350 -0.000 0.000 0.237 15 T C 1.658 176.300 174.700 -0.097 0.000 0.990 15 T CA 0.166 62.234 62.100 -0.052 0.000 1.160 15 T CB 0.262 69.121 68.868 -0.014 0.000 0.923 15 T HN -0.050 nan 8.240 nan 0.000 0.442 16 I N 2.119 122.613 120.570 -0.126 0.000 2.406 16 I HA -0.034 4.136 4.170 -0.000 0.000 0.249 16 I C 2.551 178.400 176.117 -0.446 0.000 1.122 16 I CA 1.264 62.380 61.300 -0.306 0.000 1.431 16 I CB -1.727 36.008 38.000 -0.442 0.000 1.087 16 I HN 0.240 nan 8.210 nan 0.000 0.424 17 T N 2.356 116.766 114.554 -0.240 0.000 2.652 17 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 17 T C -0.240 174.344 174.700 -0.194 0.000 1.039 17 T CA 1.719 63.721 62.100 -0.164 0.000 1.153 17 T CB -1.401 67.534 68.868 0.113 0.000 0.863 17 T HN 0.213 nan 8.240 nan 0.000 0.428 18 P HA -0.021 nan 4.420 nan 0.000 0.216 18 P C 1.629 178.839 177.300 -0.150 0.000 1.150 18 P CA 0.528 63.548 63.100 -0.134 0.000 0.837 18 P CB -0.176 31.459 31.700 -0.109 0.000 0.786 19 L N -0.637 120.473 121.223 -0.188 0.000 2.012 19 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 19 L C 2.182 178.881 176.870 -0.285 0.000 1.073 19 L CA 1.801 56.516 54.840 -0.209 0.000 0.748 19 L CB -1.118 40.811 42.059 -0.216 0.000 0.891 19 L HN -0.128 nan 8.230 nan 0.000 0.431 20 I N -0.489 119.869 120.570 -0.353 0.000 2.208 20 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 20 I C 2.345 178.336 176.117 -0.211 0.000 1.097 20 I CA 1.125 62.218 61.300 -0.345 0.000 1.363 20 I CB -0.434 37.305 38.000 -0.435 0.000 1.051 20 I HN 0.345 nan 8.210 nan 0.000 0.413 21 E N 0.524 120.629 120.200 -0.158 0.000 2.107 21 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 21 E C 2.131 178.679 176.600 -0.088 0.000 0.982 21 E CA 1.050 57.393 56.400 -0.096 0.000 0.809 21 E CB -0.254 29.407 29.700 -0.065 0.000 0.756 21 E HN 0.604 nan 8.360 nan 0.000 0.459 22 Q N 0.093 119.832 119.800 -0.100 0.000 2.123 22 Q HA -0.068 4.272 4.340 -0.000 0.000 0.199 22 Q C 1.827 177.785 176.000 -0.071 0.000 0.966 22 Q CA 0.882 56.641 55.803 -0.074 0.000 0.845 22 Q CB 0.184 28.882 28.738 -0.066 0.000 0.907 22 Q HN 0.132 nan 8.270 nan 0.000 0.439 23 Q N 0.021 119.750 119.800 -0.118 0.000 2.356 23 Q HA 0.097 4.437 4.340 -0.000 0.000 0.205 23 Q C -0.325 175.619 176.000 -0.094 0.000 0.901 23 Q CA 0.174 55.911 55.803 -0.109 0.000 0.938 23 Q CB 0.742 29.327 28.738 -0.254 0.000 1.081 23 Q HN 0.233 nan 8.270 nan 0.000 0.517 24 K N 0.843 121.183 120.400 -0.100 0.000 3.150 24 K HA -0.170 4.150 4.320 -0.000 0.000 0.267 24 K C -0.691 175.863 176.600 -0.076 0.000 1.028 24 K CA 0.164 56.407 56.287 -0.073 0.000 0.753 24 K CB -1.861 30.614 32.500 -0.041 0.000 1.288 24 K HN 0.225 nan 8.250 nan 0.000 0.473 25 I N 0.852 121.348 120.570 -0.122 0.000 2.396 25 I HA 0.036 4.206 4.170 -0.000 0.000 0.289 25 I C -0.981 175.112 176.117 -0.039 0.000 1.056 25 I CA -2.134 59.110 61.300 -0.094 0.000 1.365 25 I CB 0.867 38.747 38.000 -0.200 0.000 1.407 25 I HN 0.025 nan 8.210 nan 0.000 0.509 26 P HA -0.053 nan 4.420 nan 0.000 0.215 26 P C 0.371 177.733 177.300 0.103 0.000 1.153 26 P CA 0.615 63.709 63.100 -0.010 0.000 0.853 26 P CB 0.253 31.856 31.700 -0.162 0.000 0.788 27 G N -1.506 107.407 108.800 0.188 0.000 2.719 27 G HA2 0.663 4.623 3.960 -0.000 0.000 0.298 27 G HA3 0.663 4.623 3.960 -0.000 0.000 0.298 27 G C -1.879 173.259 174.900 0.398 0.000 1.411 27 G CA -0.338 44.944 45.100 0.303 0.000 0.991 27 G HN -0.001 nan 8.290 nan 0.000 0.509 28 M N 1.198 121.068 119.600 0.450 0.000 2.433 28 M HA 0.721 5.201 4.480 -0.000 0.000 0.290 28 M C -1.082 175.553 176.300 0.558 0.000 1.173 28 M CA -0.618 54.928 55.300 0.409 0.000 0.905 28 M CB 2.428 35.122 32.600 0.157 0.000 1.692 28 M HN 0.863 nan 8.290 nan 0.000 0.462 29 A N 3.366 126.373 122.820 0.313 0.000 2.343 29 A HA 0.840 5.160 4.320 -0.000 0.000 0.316 29 A C -1.615 176.185 177.584 0.359 0.000 1.104 29 A CA -0.602 51.651 52.037 0.361 0.000 0.768 29 A CB 1.467 20.612 19.000 0.242 0.000 1.213 29 A HN 0.588 nan 8.150 nan 0.000 0.456 30 V N 1.260 121.506 119.914 0.554 0.000 2.656 30 V HA 0.765 4.885 4.120 -0.000 0.000 0.307 30 V C 0.213 176.628 176.094 0.535 0.000 1.051 30 V CA -0.306 62.298 62.300 0.507 0.000 0.893 30 V CB 1.761 33.920 31.823 0.560 0.000 0.999 30 V HN 1.296 nan 8.190 nan 0.000 0.426 31 A N 4.253 127.305 122.820 0.387 0.000 2.318 31 A HA 0.863 5.183 4.320 -0.000 0.000 0.317 31 A C -0.933 176.783 177.584 0.220 0.000 1.159 31 A CA -0.532 51.659 52.037 0.257 0.000 0.799 31 A CB 1.527 20.646 19.000 0.199 0.000 1.194 31 A HN 0.662 nan 8.150 nan 0.000 0.479 32 V N 3.556 123.612 119.914 0.236 0.000 2.417 32 V HA 0.420 4.540 4.120 -0.000 0.000 0.291 32 V C -0.741 175.462 176.094 0.182 0.000 1.024 32 V CA -0.224 62.210 62.300 0.223 0.000 0.861 32 V CB 1.205 33.193 31.823 0.274 0.000 0.985 32 V HN 0.708 nan 8.190 nan 0.000 0.436 33 I N 5.644 126.289 120.570 0.126 0.000 2.362 33 I HA 0.461 4.631 4.170 -0.000 0.000 0.289 33 I C -0.839 175.385 176.117 0.179 0.000 0.994 33 I CA -0.406 60.940 61.300 0.077 0.000 1.158 33 I CB 1.231 39.212 38.000 -0.031 0.000 1.315 33 I HN 0.638 nan 8.210 nan 0.000 0.451 34 Y N 5.458 125.804 120.300 0.077 0.000 2.315 34 Y HA 0.343 4.893 4.550 0.000 0.000 0.324 34 Y C -0.150 175.788 175.900 0.063 0.000 1.062 34 Y CA -0.670 57.478 58.100 0.081 0.000 1.159 34 Y CB 1.106 39.655 38.460 0.147 0.000 1.145 34 Y HN 0.698 nan 8.280 nan 0.000 0.442 35 Q N 4.652 124.282 119.800 -0.284 0.000 2.463 35 Q HA -0.235 4.105 4.340 -0.000 0.000 0.299 35 Q C 1.023 176.961 176.000 -0.103 0.000 1.353 35 Q CA 1.304 56.955 55.803 -0.253 0.000 0.828 35 Q CB -1.494 27.029 28.738 -0.359 0.000 1.157 35 Q HN 1.480 nan 8.270 nan 0.000 0.436 36 G N -0.671 108.075 108.800 -0.090 0.000 2.176 36 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.253 36 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.253 36 G C -0.000 174.855 174.900 -0.075 0.000 0.979 36 G CA 0.542 45.594 45.100 -0.080 0.000 0.641 36 G HN 0.261 nan 8.290 nan 0.000 0.530 37 K N 1.429 121.795 120.400 -0.057 0.000 2.292 37 K HA 0.544 4.864 4.320 -0.000 0.000 0.257 37 K C -2.599 173.779 176.600 -0.369 0.000 0.940 37 K CA -2.030 54.146 56.287 -0.186 0.000 0.811 37 K CB 2.963 35.385 32.500 -0.130 0.000 1.120 37 K HN 0.061 nan 8.250 nan 0.000 0.428 38 P HA 0.216 nan 4.420 nan 0.000 0.286 38 P C -1.476 175.154 177.300 -1.118 0.000 1.261 38 P CA -0.458 62.247 63.100 -0.658 0.000 0.821 38 P CB 0.688 32.062 31.700 -0.543 0.000 1.013 39 Y N 1.104 121.113 120.300 -0.484 0.000 2.346 39 Y HA 0.430 4.980 4.550 -0.000 0.000 0.332 39 Y C -0.229 175.337 175.900 -0.557 0.000 0.985 39 Y CA -0.579 57.266 58.100 -0.425 0.000 1.112 39 Y CB 1.702 40.086 38.460 -0.127 0.000 1.170 39 Y HN 0.271 nan 8.280 nan 0.000 0.447 40 Y N 2.973 123.064 120.300 -0.348 0.000 2.409 40 Y HA 0.700 5.250 4.550 -0.000 0.000 0.339 40 Y C -0.952 174.538 175.900 -0.682 0.000 1.033 40 Y CA -1.590 56.344 58.100 -0.276 0.000 1.094 40 Y CB 1.363 39.746 38.460 -0.130 0.000 1.210 40 Y HN 0.386 nan 8.280 nan 0.000 0.456 41 F N 0.122 120.172 119.950 0.167 0.000 2.581 41 F HA 0.659 5.186 4.527 -0.000 0.000 0.311 41 F C -0.344 175.343 175.800 -0.188 0.000 1.113 41 F CA -1.001 56.911 58.000 -0.148 0.000 0.935 41 F CB 2.355 41.231 39.000 -0.207 0.000 1.232 41 F HN 0.388 nan 8.300 nan 0.000 0.445 42 T N -1.646 112.731 114.554 -0.295 0.000 2.900 42 T HA 0.675 5.024 4.350 -0.000 0.000 0.303 42 T C -1.700 172.843 174.700 -0.262 0.000 1.142 42 T CA -0.784 61.288 62.100 -0.047 0.000 1.007 42 T CB 1.991 70.908 68.868 0.081 0.000 1.156 42 T HN 0.614 nan 8.240 nan 0.000 0.490 43 W N 0.476 121.856 121.300 0.133 0.000 3.138 43 W HA 0.495 5.155 4.660 -0.000 0.000 0.331 43 W C 0.814 177.341 176.519 0.014 0.000 1.166 43 W CA -0.120 57.263 57.345 0.063 0.000 1.212 43 W CB 1.776 31.276 29.460 0.067 0.000 1.399 43 W HN 1.418 nan 8.180 nan 0.000 0.514 44 G N 1.783 110.633 108.800 0.083 0.000 2.552 44 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.265 44 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.265 44 G C -1.540 173.232 174.900 -0.212 0.000 1.234 44 G CA -0.093 44.910 45.100 -0.161 0.000 0.944 44 G HN 0.553 nan 8.290 nan 0.000 0.568 45 Y N -0.002 120.388 120.300 0.149 0.000 2.425 45 Y HA 0.576 5.126 4.550 -0.000 0.000 0.344 45 Y C 1.268 177.270 175.900 0.170 0.000 0.969 45 Y CA -0.298 57.880 58.100 0.130 0.000 1.052 45 Y CB 2.067 40.571 38.460 0.074 0.000 1.215 45 Y HN 0.817 nan 8.280 nan 0.000 0.451 46 A N 0.995 124.018 122.820 0.338 0.000 1.970 46 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 46 A C 0.281 178.075 177.584 0.351 0.000 1.170 46 A CA 1.488 53.673 52.037 0.248 0.000 0.645 46 A CB 0.024 19.100 19.000 0.127 0.000 0.816 46 A HN 0.654 nan 8.150 nan 0.000 0.447 47 D N -1.111 119.492 120.400 0.339 0.000 2.476 47 D HA 0.413 5.052 4.640 -0.000 0.000 0.251 47 D C 0.695 177.063 176.300 0.115 0.000 1.291 47 D CA -0.457 53.752 54.000 0.348 0.000 0.939 47 D CB 0.674 41.666 40.800 0.320 0.000 1.221 47 D HN 0.150 nan 8.370 nan 0.000 0.567 48 I N 2.219 122.839 120.570 0.084 0.000 2.113 48 I HA -0.242 3.927 4.170 -0.000 0.000 0.238 48 I C 2.477 178.438 176.117 -0.261 0.000 1.070 48 I CA 1.272 62.459 61.300 -0.187 0.000 1.332 48 I CB -0.189 37.674 38.000 -0.228 0.000 1.044 48 I HN 0.450 nan 8.210 nan 0.000 0.402 49 A N 0.977 123.721 122.820 -0.127 0.000 1.917 49 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 49 A C 2.166 179.672 177.584 -0.131 0.000 1.182 49 A CA 1.920 53.882 52.037 -0.126 0.000 0.633 49 A CB -0.509 18.425 19.000 -0.109 0.000 0.819 49 A HN 0.425 nan 8.150 nan 0.000 0.448 50 K N -0.864 119.475 120.400 -0.102 0.000 2.404 50 K HA 0.131 4.451 4.320 -0.000 0.000 0.194 50 K C -0.301 176.213 176.600 -0.143 0.000 1.023 50 K CA 0.122 56.361 56.287 -0.080 0.000 1.094 50 K CB 0.171 32.669 32.500 -0.003 0.000 0.841 50 K HN 0.415 nan 8.250 nan 0.000 0.523 51 K N 1.868 122.060 120.400 -0.347 0.000 3.071 51 K HA -0.242 4.078 4.320 -0.000 0.000 0.262 51 K C -0.337 176.184 176.600 -0.132 0.000 0.977 51 K CA 0.445 56.331 56.287 -0.668 0.000 0.721 51 K CB -1.361 30.862 32.500 -0.461 0.000 1.293 51 K HN 0.406 nan 8.250 nan 0.000 0.475 52 Q N 1.390 121.202 119.800 0.019 0.000 2.307 52 Q HA 0.175 4.515 4.340 -0.000 0.000 0.259 52 Q C -2.205 174.004 176.000 0.349 0.000 0.998 52 Q CA -1.909 53.998 55.803 0.172 0.000 0.923 52 Q CB 0.959 29.778 28.738 0.135 0.000 1.196 52 Q HN 0.004 nan 8.270 nan 0.000 0.416 53 P HA 0.013 nan 4.420 nan 0.000 0.274 53 P C -0.568 176.847 177.300 0.191 0.000 1.231 53 P CA -0.286 62.969 63.100 0.259 0.000 0.790 53 P CB 0.915 32.706 31.700 0.152 0.000 0.951 54 V N 2.430 122.457 119.914 0.190 0.000 2.572 54 V HA 0.235 4.355 4.120 -0.000 0.000 0.291 54 V C 1.267 177.461 176.094 0.166 0.000 1.039 54 V CA 0.746 63.180 62.300 0.224 0.000 1.055 54 V CB 0.077 32.116 31.823 0.361 0.000 0.969 54 V HN 0.888 nan 8.190 nan 0.000 0.482 55 T N 1.842 116.483 114.554 0.144 0.000 2.742 55 T HA 0.319 4.669 4.350 -0.000 0.000 0.282 55 T C 0.479 175.217 174.700 0.064 0.000 1.025 55 T CA -0.780 61.365 62.100 0.074 0.000 1.020 55 T CB 1.721 70.606 68.868 0.029 0.000 1.317 55 T HN 0.310 nan 8.240 nan 0.000 0.538 56 Q N 0.039 119.820 119.800 -0.033 0.000 2.439 56 Q HA -0.039 4.301 4.340 -0.000 0.000 0.211 56 Q C 1.724 177.676 176.000 -0.080 0.000 0.978 56 Q CA 1.416 57.151 55.803 -0.113 0.000 0.897 56 Q CB -0.306 28.303 28.738 -0.215 0.000 0.956 56 Q HN 0.761 nan 8.270 nan 0.000 0.483 57 Q N -0.441 119.324 119.800 -0.059 0.000 2.319 57 Q HA 0.102 4.442 4.340 -0.000 0.000 0.209 57 Q C -0.081 175.899 176.000 -0.034 0.000 0.884 57 Q CA 0.028 55.769 55.803 -0.103 0.000 0.938 57 Q CB 0.655 29.318 28.738 -0.124 0.000 1.098 57 Q HN 0.109 nan 8.270 nan 0.000 0.517 58 T N 1.832 116.409 114.554 0.040 0.000 2.834 58 T HA 0.191 4.541 4.350 -0.000 0.000 0.298 58 T C -0.287 174.430 174.700 0.028 0.000 0.966 58 T CA -0.093 62.010 62.100 0.005 0.000 1.141 58 T CB 0.437 69.291 68.868 -0.022 0.000 0.905 58 T HN -0.010 nan 8.240 nan 0.000 0.535 59 L N 4.464 125.664 121.223 -0.038 0.000 2.290 59 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 59 L C -0.357 176.478 176.870 -0.059 0.000 1.078 59 L CA 0.059 54.889 54.840 -0.016 0.000 0.815 59 L CB 0.164 42.137 42.059 -0.143 0.000 1.162 59 L HN 0.531 nan 8.230 nan 0.000 0.435 60 F N 0.978 120.963 119.950 0.058 0.000 2.470 60 F HA 0.400 4.927 4.527 -0.000 0.000 0.329 60 F C 0.616 176.205 175.800 -0.352 0.000 1.072 60 F CA -0.874 57.145 58.000 0.031 0.000 0.989 60 F CB 1.137 40.285 39.000 0.246 0.000 1.193 60 F HN 0.403 nan 8.300 nan 0.000 0.481 61 E N 2.812 122.501 120.200 -0.851 0.000 2.257 61 E HA 0.134 4.484 4.350 -0.000 0.000 0.278 61 E C 0.536 177.040 176.600 -0.160 0.000 1.049 61 E CA -0.041 56.007 56.400 -0.586 0.000 0.876 61 E CB 0.791 30.030 29.700 -0.767 0.000 1.035 61 E HN 0.623 nan 8.360 nan 0.000 0.419 62 L N 2.878 124.087 121.223 -0.024 0.000 2.313 62 L HA 0.025 4.365 4.340 -0.000 0.000 0.214 62 L C 1.452 178.408 176.870 0.144 0.000 1.119 62 L CA 0.635 55.534 54.840 0.098 0.000 0.809 62 L CB -0.848 41.270 42.059 0.098 0.000 0.933 62 L HN 0.913 nan 8.230 nan 0.000 0.449 63 G N 0.299 109.182 108.800 0.138 0.000 2.596 63 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.295 63 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.295 63 G C 0.839 175.876 174.900 0.228 0.000 1.240 63 G CA 0.359 45.580 45.100 0.202 0.000 0.985 63 G HN 0.189 nan 8.290 nan 0.000 0.555 64 S N -0.270 115.568 115.700 0.230 0.000 2.469 64 S HA -0.014 4.456 4.470 -0.000 0.000 0.238 64 S C 2.454 177.176 174.600 0.203 0.000 0.998 64 S CA 1.445 59.794 58.200 0.248 0.000 0.957 64 S CB -0.214 63.163 63.200 0.294 0.000 0.764 64 S HN 0.779 nan 8.310 nan 0.000 0.514 65 V N 1.711 121.733 119.914 0.179 0.000 2.688 65 V HA -0.162 3.958 4.120 -0.000 0.000 0.256 65 V C 2.135 178.336 176.094 0.178 0.000 1.084 65 V CA 1.552 63.938 62.300 0.144 0.000 1.103 65 V CB -0.898 31.034 31.823 0.181 0.000 0.688 65 V HN 0.459 nan 8.190 nan 0.000 0.480 66 S N -0.272 115.557 115.700 0.215 0.000 2.420 66 S HA -0.253 4.217 4.470 -0.000 0.000 0.237 66 S C 1.903 176.653 174.600 0.250 0.000 1.023 66 S CA 1.357 59.711 58.200 0.257 0.000 0.991 66 S CB -0.296 62.987 63.200 0.139 0.000 0.792 66 S HN 0.655 nan 8.310 nan 0.000 0.488 67 K N 0.883 121.382 120.400 0.164 0.000 2.209 67 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 67 K C 2.541 179.162 176.600 0.034 0.000 1.048 67 K CA 1.578 57.942 56.287 0.129 0.000 0.940 67 K CB -0.527 32.068 32.500 0.158 0.000 0.729 67 K HN 0.646 nan 8.250 nan 0.000 0.451 68 T N -0.746 113.721 114.554 -0.145 0.000 2.746 68 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 68 T C 1.805 176.506 174.700 0.000 0.000 1.039 68 T CA 1.008 62.847 62.100 -0.435 0.000 1.142 68 T CB -0.483 67.742 68.868 -1.072 0.000 0.866 68 T HN 0.030 nan 8.240 nan 0.000 0.444 69 F N 2.204 122.174 119.950 0.033 0.000 2.102 69 F HA -0.000 4.527 4.527 -0.000 0.000 0.298 69 F C 3.096 178.935 175.800 0.065 0.000 1.105 69 F CA 1.555 59.529 58.000 -0.043 0.000 1.239 69 F CB -1.263 37.592 39.000 -0.242 0.000 0.991 69 F HN 0.138 nan 8.300 nan 0.000 0.474 70 T N -0.489 114.248 114.554 0.305 0.000 2.720 70 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 70 T C 2.337 177.217 174.700 0.300 0.000 1.037 70 T CA 1.465 63.752 62.100 0.311 0.000 1.144 70 T CB -1.091 67.960 68.868 0.306 0.000 0.864 70 T HN 0.461 nan 8.240 nan 0.000 0.444 71 G N 0.813 109.763 108.800 0.251 0.000 2.418 71 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 71 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 71 G C 1.703 176.768 174.900 0.276 0.000 1.158 71 G CA 0.764 46.013 45.100 0.250 0.000 0.771 71 G HN 0.439 nan 8.290 nan 0.000 0.545 72 V N 0.618 120.709 119.914 0.295 0.000 2.358 72 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 72 V C 2.669 178.887 176.094 0.207 0.000 1.047 72 V CA 1.493 63.973 62.300 0.300 0.000 1.035 72 V CB -0.370 31.727 31.823 0.457 0.000 0.658 72 V HN 0.343 nan 8.190 nan 0.000 0.452 73 L N 1.404 122.722 121.223 0.158 0.000 2.042 73 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 73 L C 2.331 179.221 176.870 0.033 0.000 1.076 73 L CA 2.499 57.356 54.840 0.028 0.000 0.749 73 L CB -1.284 40.719 42.059 -0.094 0.000 0.893 73 L HN 0.283 nan 8.230 nan 0.000 0.432 74 G N -1.260 107.609 108.800 0.115 0.000 2.418 74 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 74 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 74 G C 1.525 176.532 174.900 0.177 0.000 1.158 74 G CA 0.583 45.765 45.100 0.136 0.000 0.771 74 G HN 0.600 nan 8.290 nan 0.000 0.545 75 G N 0.577 109.495 108.800 0.196 0.000 2.422 75 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 75 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 75 G C 1.448 176.408 174.900 0.100 0.000 1.146 75 G CA 1.364 46.558 45.100 0.157 0.000 0.769 75 G HN 0.517 nan 8.290 nan 0.000 0.547 76 D N 0.492 120.939 120.400 0.079 0.000 2.144 76 D HA 0.060 4.700 4.640 -0.000 0.000 0.200 76 D C 2.628 178.938 176.300 0.017 0.000 0.978 76 D CA 1.348 55.372 54.000 0.040 0.000 0.833 76 D CB -0.238 40.576 40.800 0.024 0.000 0.961 76 D HN 0.239 nan 8.370 nan 0.000 0.470 77 A N 0.009 122.831 122.820 0.004 0.000 1.930 77 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 77 A C 2.292 179.884 177.584 0.012 0.000 1.175 77 A CA 1.036 53.063 52.037 -0.017 0.000 0.627 77 A CB -0.702 18.257 19.000 -0.067 0.000 0.815 77 A HN 0.382 nan 8.150 nan 0.000 0.443 78 I N -0.184 120.411 120.570 0.041 0.000 2.202 78 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 78 I C 2.928 179.074 176.117 0.049 0.000 1.091 78 I CA 1.042 62.377 61.300 0.058 0.000 1.368 78 I CB -0.363 37.689 38.000 0.087 0.000 1.058 78 I HN 0.320 nan 8.210 nan 0.000 0.410 79 A N 0.850 123.697 122.820 0.045 0.000 1.978 79 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 79 A C 2.312 179.910 177.584 0.023 0.000 1.170 79 A CA 1.460 53.517 52.037 0.034 0.000 0.636 79 A CB -0.571 18.448 19.000 0.032 0.000 0.810 79 A HN 0.354 nan 8.150 nan 0.000 0.448 80 R N -1.374 119.137 120.500 0.018 0.000 2.323 80 R HA 0.165 4.505 4.340 -0.000 0.000 0.198 80 R C 1.230 177.541 176.300 0.018 0.000 0.988 80 R CA 0.504 56.610 56.100 0.011 0.000 1.041 80 R CB -0.190 30.110 30.300 -0.000 0.000 0.926 80 R HN 0.685 nan 8.270 nan 0.000 0.476 81 G N 1.156 109.974 108.800 0.028 0.000 2.176 81 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.252 81 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.252 81 G C 0.453 175.382 174.900 0.048 0.000 1.024 81 G CA 0.541 45.664 45.100 0.038 0.000 0.755 81 G HN 0.453 nan 8.290 nan 0.000 0.507 82 E N -0.846 119.381 120.200 0.046 0.000 2.190 82 E HA 0.286 4.636 4.350 -0.000 0.000 0.191 82 E C 1.482 178.154 176.600 0.119 0.000 0.978 82 E CA 1.046 57.482 56.400 0.060 0.000 0.839 82 E CB 0.240 29.954 29.700 0.023 0.000 0.787 82 E HN 0.894 nan 8.360 nan 0.000 0.473 83 I N -2.584 118.039 120.570 0.088 0.000 3.074 83 I HA 0.489 4.659 4.170 -0.000 0.000 0.310 83 I C -1.363 174.822 176.117 0.113 0.000 1.153 83 I CA -1.206 60.162 61.300 0.112 0.000 0.993 83 I CB 2.304 40.208 38.000 -0.160 0.000 1.237 83 I HN -0.366 nan 8.210 nan 0.000 0.443 84 K N 3.138 123.639 120.400 0.169 0.000 2.345 84 K HA 0.495 4.815 4.320 -0.000 0.000 0.255 84 K C 0.175 176.843 176.600 0.113 0.000 0.934 84 K CA -0.713 55.654 56.287 0.133 0.000 0.801 84 K CB 2.722 35.310 32.500 0.146 0.000 1.137 84 K HN 0.629 nan 8.250 nan 0.000 0.424 85 L N 1.198 122.470 121.223 0.081 0.000 2.265 85 L HA -0.197 4.142 4.340 -0.000 0.000 0.215 85 L C 1.999 178.888 176.870 0.031 0.000 1.117 85 L CA 1.376 56.241 54.840 0.041 0.000 0.782 85 L CB -0.290 41.758 42.059 -0.019 0.000 0.914 85 L HN 0.698 nan 8.230 nan 0.000 0.441 86 S N -2.605 113.130 115.700 0.059 0.000 2.522 86 S HA -0.013 4.456 4.470 -0.000 0.000 0.227 86 S C 0.625 175.284 174.600 0.099 0.000 0.986 86 S CA -0.150 58.084 58.200 0.056 0.000 0.929 86 S CB -0.333 62.902 63.200 0.058 0.000 0.769 86 S HN 0.238 nan 8.310 nan 0.000 0.529 87 D N 4.060 124.557 120.400 0.162 0.000 2.382 87 D HA 0.302 4.942 4.640 -0.000 0.000 0.245 87 D C -2.483 173.968 176.300 0.252 0.000 1.120 87 D CA -1.615 52.522 54.000 0.229 0.000 0.890 87 D CB 0.698 41.738 40.800 0.400 0.000 1.201 87 D HN 0.172 nan 8.370 nan 0.000 0.433 88 P HA -0.003 nan 4.420 nan 0.000 0.267 88 P C 0.732 178.219 177.300 0.313 0.000 1.200 88 P CA -0.084 63.161 63.100 0.242 0.000 0.772 88 P CB 0.521 32.332 31.700 0.185 0.000 0.855 89 T N 0.984 115.735 114.554 0.328 0.000 2.759 89 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 89 T C 1.533 176.393 174.700 0.267 0.000 1.042 89 T CA 2.093 64.383 62.100 0.315 0.000 1.140 89 T CB -0.873 68.175 68.868 0.301 0.000 0.864 89 T HN 0.504 nan 8.240 nan 0.000 0.455 90 T N 1.430 116.090 114.554 0.178 0.000 3.007 90 T HA -0.027 4.323 4.350 -0.000 0.000 0.270 90 T C 1.826 176.563 174.700 0.062 0.000 1.107 90 T CA 0.871 63.020 62.100 0.082 0.000 1.118 90 T CB -0.116 68.778 68.868 0.044 0.000 0.889 90 T HN 0.462 nan 8.240 nan 0.000 0.506 91 K N 0.417 120.837 120.400 0.034 0.000 2.103 91 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 91 K C 1.229 177.633 176.600 -0.326 0.000 1.048 91 K CA 1.477 57.645 56.287 -0.198 0.000 0.930 91 K CB -0.135 32.146 32.500 -0.365 0.000 0.716 91 K HN 0.431 nan 8.250 nan 0.000 0.444 92 Y N -2.424 117.917 120.300 0.069 0.000 2.478 92 Y HA 0.112 4.662 4.550 -0.000 0.000 0.261 92 Y C 0.194 176.155 175.900 0.102 0.000 1.127 92 Y CA -0.451 57.678 58.100 0.049 0.000 1.288 92 Y CB 0.508 38.972 38.460 0.006 0.000 1.084 92 Y HN 0.130 nan 8.280 nan 0.000 0.530 93 W N 2.755 124.064 121.300 0.016 0.000 2.492 93 W HA 0.411 5.070 4.660 -0.000 0.000 0.287 93 W C -2.550 173.927 176.519 -0.071 0.000 1.008 93 W CA -3.840 53.472 57.345 -0.055 0.000 1.557 93 W CB 1.192 30.573 29.460 -0.130 0.000 1.419 93 W HN -0.107 nan 8.180 nan 0.000 0.408 94 P HA -0.158 nan 4.420 nan 0.000 0.220 94 P C 1.067 178.328 177.300 -0.064 0.000 1.148 94 P CA 1.789 64.909 63.100 0.033 0.000 0.803 94 P CB 0.405 32.130 31.700 0.042 0.000 0.782 95 E N -0.981 119.156 120.200 -0.104 0.000 2.418 95 E HA -0.055 4.295 4.350 -0.000 0.000 0.197 95 E C 0.377 176.687 176.600 -0.483 0.000 1.026 95 E CA -0.021 56.241 56.400 -0.229 0.000 0.862 95 E CB -0.324 29.306 29.700 -0.117 0.000 0.799 95 E HN 0.116 nan 8.360 nan 0.000 0.518 96 L N 1.958 122.730 121.223 -0.752 0.000 2.382 96 L HA 0.026 4.366 4.340 -0.000 0.000 0.259 96 L C 0.937 177.582 176.870 -0.375 0.000 1.291 96 L CA 0.582 54.937 54.840 -0.808 0.000 1.176 96 L CB -0.118 41.262 42.059 -1.132 0.000 1.373 96 L HN -0.086 nan 8.230 nan 0.000 0.426 97 T N -0.581 113.839 114.554 -0.224 0.000 3.069 97 T HA 0.412 4.762 4.350 -0.000 0.000 0.252 97 T C 0.829 175.535 174.700 0.010 0.000 1.053 97 T CA 0.180 62.234 62.100 -0.077 0.000 0.964 97 T CB 0.066 68.894 68.868 -0.066 0.000 1.005 97 T HN 0.504 nan 8.240 nan 0.000 0.532 98 A N 2.610 125.462 122.820 0.052 0.000 2.462 98 A HA 0.374 4.694 4.320 -0.000 0.000 0.243 98 A C 1.541 179.247 177.584 0.202 0.000 1.076 98 A CA -0.419 51.700 52.037 0.138 0.000 0.773 98 A CB 0.341 19.457 19.000 0.192 0.000 1.010 98 A HN 0.606 nan 8.150 nan 0.000 0.493 99 K N 1.725 122.187 120.400 0.103 0.000 2.362 99 K HA -0.176 4.144 4.320 -0.000 0.000 0.200 99 K C 1.302 177.933 176.600 0.052 0.000 1.046 99 K CA 1.351 57.681 56.287 0.073 0.000 0.952 99 K CB 0.040 32.556 32.500 0.026 0.000 0.753 99 K HN 0.802 nan 8.250 nan 0.000 0.466 100 Q N 0.335 120.140 119.800 0.008 0.000 2.369 100 Q HA -0.136 4.204 4.340 -0.000 0.000 0.206 100 Q C 0.792 176.671 176.000 -0.200 0.000 0.963 100 Q CA 0.950 56.655 55.803 -0.162 0.000 0.894 100 Q CB -0.426 28.106 28.738 -0.343 0.000 0.965 100 Q HN 0.569 nan 8.270 nan 0.000 0.475 101 W N 1.625 122.975 121.300 0.083 0.000 3.047 101 W HA 0.149 4.809 4.660 -0.000 0.000 0.250 101 W C 1.509 178.095 176.519 0.113 0.000 1.314 101 W CA 0.247 57.670 57.345 0.130 0.000 1.540 101 W CB -0.099 29.422 29.460 0.101 0.000 1.127 101 W HN 0.238 nan 8.180 nan 0.000 0.679 102 N N -0.080 118.753 118.700 0.222 0.000 2.069 102 N HA -0.138 4.602 4.740 -0.000 0.000 0.191 102 N C 2.000 177.616 175.510 0.177 0.000 1.031 102 N CA 1.997 55.152 53.050 0.174 0.000 0.852 102 N CB -0.712 37.840 38.487 0.109 0.000 1.018 102 N HN 0.122 nan 8.380 nan 0.000 0.423 103 G N -0.777 108.118 108.800 0.158 0.000 3.141 103 G HA2 0.199 4.159 3.960 -0.000 0.000 0.218 103 G HA3 0.199 4.159 3.960 -0.000 0.000 0.218 103 G C 0.052 175.131 174.900 0.298 0.000 1.170 103 G CA -0.254 44.961 45.100 0.191 0.000 0.769 103 G HN 0.152 nan 8.290 nan 0.000 0.546 104 I N 2.699 123.467 120.570 0.329 0.000 2.304 104 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 104 I C 0.686 177.085 176.117 0.471 0.000 1.018 104 I CA -0.452 61.128 61.300 0.467 0.000 1.260 104 I CB 1.242 39.447 38.000 0.342 0.000 1.390 104 I HN 0.025 nan 8.210 nan 0.000 0.475 105 T N 2.882 117.693 114.554 0.428 0.000 2.937 105 T HA 0.467 4.817 4.350 -0.000 0.000 0.283 105 T C 1.223 176.014 174.700 0.152 0.000 1.012 105 T CA -0.888 61.322 62.100 0.183 0.000 0.997 105 T CB 1.573 70.428 68.868 -0.022 0.000 1.136 105 T HN 0.411 nan 8.240 nan 0.000 0.551 106 L N 0.290 121.591 121.223 0.130 0.000 2.079 106 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 106 L C 2.581 179.437 176.870 -0.024 0.000 1.081 106 L CA 1.077 56.002 54.840 0.141 0.000 0.752 106 L CB -0.805 41.340 42.059 0.144 0.000 0.896 106 L HN 0.621 nan 8.230 nan 0.000 0.433 107 L N -0.289 120.862 121.223 -0.120 0.000 2.013 107 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 107 L C 2.405 179.215 176.870 -0.101 0.000 1.073 107 L CA 1.988 56.700 54.840 -0.213 0.000 0.753 107 L CB -0.614 41.334 42.059 -0.185 0.000 0.890 107 L HN 0.244 nan 8.230 nan 0.000 0.432 108 H N -1.224 117.899 119.070 0.088 0.000 2.353 108 H HA -0.133 4.423 4.556 -0.000 0.000 0.300 108 H C 2.235 177.554 175.328 -0.015 0.000 1.090 108 H CA 1.550 57.644 56.048 0.076 0.000 1.327 108 H CB -0.124 29.714 29.762 0.126 0.000 1.383 108 H HN 0.326 nan 8.280 nan 0.000 0.508 109 L N 0.133 121.432 121.223 0.126 0.000 2.017 109 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 109 L C 2.841 179.628 176.870 -0.139 0.000 1.073 109 L CA 0.862 55.743 54.840 0.068 0.000 0.745 109 L CB -0.497 41.667 42.059 0.174 0.000 0.894 109 L HN 0.345 nan 8.230 nan 0.000 0.432 110 A N -0.221 122.338 122.820 -0.436 0.000 1.969 110 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 110 A C 2.079 179.236 177.584 -0.712 0.000 1.169 110 A CA 2.045 53.553 52.037 -0.882 0.000 0.635 110 A CB -0.646 17.382 19.000 -1.620 0.000 0.810 110 A HN 0.519 nan 8.150 nan 0.000 0.445 111 T N -6.639 107.587 114.554 -0.545 0.000 3.182 111 T HA 0.347 4.696 4.350 -0.000 0.000 0.277 111 T C 0.188 174.575 174.700 -0.522 0.000 1.013 111 T CA 0.203 61.968 62.100 -0.559 0.000 0.900 111 T CB -0.416 68.409 68.868 -0.071 0.000 1.098 111 T HN 0.672 nan 8.240 nan 0.000 0.543 112 Y N 0.633 120.891 120.300 -0.070 0.000 4.569 112 Y HA -0.251 4.299 4.550 -0.000 0.000 0.237 112 Y C 1.227 177.071 175.900 -0.095 0.000 1.090 112 Y CA 0.493 58.556 58.100 -0.062 0.000 2.052 112 Y CB -3.128 35.312 38.460 -0.035 0.000 1.621 112 Y HN 0.619 nan 8.280 nan 0.000 0.682 113 T N -4.172 110.344 114.554 -0.064 0.000 3.215 113 T HA 0.696 5.046 4.350 -0.000 0.000 0.271 113 T C 1.460 176.103 174.700 -0.096 0.000 1.012 113 T CA 0.209 62.190 62.100 -0.199 0.000 0.899 113 T CB 0.519 68.994 68.868 -0.655 0.000 1.089 113 T HN 0.485 nan 8.240 nan 0.000 0.552 114 A N 1.307 124.152 122.820 0.042 0.000 2.119 114 A HA 0.555 4.875 4.320 -0.000 0.000 0.217 114 A C 1.864 179.530 177.584 0.136 0.000 1.153 114 A CA 0.582 52.651 52.037 0.055 0.000 0.692 114 A CB -0.838 18.198 19.000 0.059 0.000 0.799 114 A HN 1.508 nan 8.150 nan 0.000 0.458 115 G N -2.976 105.966 108.800 0.237 0.000 2.247 115 G HA2 0.401 4.360 3.960 -0.000 0.000 0.111 115 G HA3 0.401 4.360 3.960 -0.000 0.000 0.111 115 G C 0.976 176.158 174.900 0.471 0.000 1.045 115 G CA 0.332 45.658 45.100 0.377 0.000 0.715 115 G HN 1.999 nan 8.290 nan 0.000 0.485 116 G N -1.008 108.109 108.800 0.527 0.000 2.145 116 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.176 116 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.176 116 G C 0.451 175.590 174.900 0.398 0.000 1.013 116 G CA -0.012 45.318 45.100 0.384 0.000 0.689 116 G HN 1.274 nan 8.290 nan 0.000 0.506 117 L N 1.891 123.224 121.223 0.184 0.000 2.514 117 L HA 0.247 4.587 4.340 -0.000 0.000 0.280 117 L C -0.920 175.993 176.870 0.071 0.000 1.223 117 L CA -1.139 53.599 54.840 -0.170 0.000 0.864 117 L CB 0.463 42.338 42.059 -0.307 0.000 1.118 117 L HN 0.105 nan 8.230 nan 0.000 0.494 118 P HA -0.004 nan 4.420 nan 0.000 0.278 118 P C 0.506 177.864 177.300 0.095 0.000 1.238 118 P CA -0.585 62.602 63.100 0.145 0.000 0.794 118 P CB 1.234 33.049 31.700 0.191 0.000 0.955 119 L N 1.301 122.574 121.223 0.083 0.000 2.051 119 L HA -0.171 4.169 4.340 -0.000 0.000 0.214 119 L C 0.861 177.754 176.870 0.038 0.000 1.076 119 L CA 2.050 56.925 54.840 0.058 0.000 0.758 119 L CB -0.621 41.487 42.059 0.081 0.000 0.890 119 L HN 0.402 nan 8.230 nan 0.000 0.433 120 Q N -0.417 119.400 119.800 0.028 0.000 2.337 120 Q HA 0.364 4.704 4.340 -0.000 0.000 0.266 120 Q C -0.821 175.141 176.000 -0.064 0.000 1.023 120 Q CA -0.911 54.890 55.803 -0.003 0.000 0.829 120 Q CB 2.305 31.032 28.738 -0.020 0.000 1.306 120 Q HN -0.070 nan 8.270 nan 0.000 0.449 121 V N 3.839 123.686 119.914 -0.112 0.000 2.529 121 V HA 0.050 4.170 4.120 -0.000 0.000 0.292 121 V C -1.953 173.945 176.094 -0.327 0.000 1.028 121 V CA -0.926 61.158 62.300 -0.359 0.000 1.074 121 V CB -0.075 31.572 31.823 -0.295 0.000 0.958 121 V HN 0.600 nan 8.190 nan 0.000 0.481 122 P HA -0.009 nan 4.420 nan 0.000 0.263 122 P C 0.536 177.732 177.300 -0.173 0.000 1.175 122 P CA 0.126 63.076 63.100 -0.250 0.000 0.761 122 P CB 0.423 31.974 31.700 -0.249 0.000 0.794 123 D N 2.478 122.824 120.400 -0.090 0.000 2.133 123 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 123 D C 1.208 177.480 176.300 -0.046 0.000 0.997 123 D CA 1.609 55.578 54.000 -0.051 0.000 0.840 123 D CB -0.156 40.628 40.800 -0.026 0.000 0.947 123 D HN 0.513 nan 8.370 nan 0.000 0.452 124 E N 0.137 120.309 120.200 -0.047 0.000 2.418 124 E HA 0.007 4.357 4.350 -0.000 0.000 0.197 124 E C 0.285 176.866 176.600 -0.033 0.000 1.026 124 E CA -0.060 56.324 56.400 -0.027 0.000 0.862 124 E CB 0.215 29.907 29.700 -0.013 0.000 0.799 124 E HN 0.050 nan 8.360 nan 0.000 0.518 125 V N 1.844 121.713 119.914 -0.074 0.000 2.446 125 V HA -0.001 4.119 4.120 -0.000 0.000 0.276 125 V C 0.976 177.046 176.094 -0.041 0.000 1.030 125 V CA 0.678 62.935 62.300 -0.073 0.000 1.033 125 V CB 0.962 32.673 31.823 -0.187 0.000 0.993 125 V HN 0.163 nan 8.190 nan 0.000 0.477 126 K N 2.238 122.634 120.400 -0.008 0.000 2.509 126 K HA 0.176 4.496 4.320 -0.000 0.000 0.205 126 K C 0.918 177.523 176.600 0.009 0.000 1.336 126 K CA 0.335 56.621 56.287 -0.000 0.000 0.912 126 K CB 0.519 33.022 32.500 0.005 0.000 1.568 126 K HN 0.693 nan 8.250 nan 0.000 0.475 127 S N 0.591 116.306 115.700 0.025 0.000 2.707 127 S HA 0.104 4.574 4.470 -0.000 0.000 0.276 127 S C 1.232 175.865 174.600 0.055 0.000 1.179 127 S CA -0.172 58.047 58.200 0.032 0.000 0.992 127 S CB 1.514 64.736 63.200 0.037 0.000 1.030 127 S HN 0.236 nan 8.310 nan 0.000 0.554 128 S N 0.852 116.583 115.700 0.052 0.000 2.402 128 S HA -0.109 4.361 4.470 -0.000 0.000 0.229 128 S C 1.793 176.490 174.600 0.161 0.000 1.021 128 S CA 1.143 59.392 58.200 0.082 0.000 0.974 128 S CB -1.096 62.128 63.200 0.041 0.000 0.800 128 S HN 0.641 nan 8.310 nan 0.000 0.484 129 S N 2.279 118.053 115.700 0.124 0.000 2.383 129 S HA -0.087 4.383 4.470 -0.000 0.000 0.227 129 S C 1.517 176.203 174.600 0.143 0.000 1.026 129 S CA 1.294 59.572 58.200 0.131 0.000 0.981 129 S CB -0.545 62.707 63.200 0.087 0.000 0.818 129 S HN 0.528 nan 8.310 nan 0.000 0.472 130 D N 1.237 121.710 120.400 0.122 0.000 2.117 130 D HA -0.045 4.595 4.640 -0.000 0.000 0.197 130 D C 1.821 178.237 176.300 0.192 0.000 0.987 130 D CA 0.609 54.683 54.000 0.122 0.000 0.829 130 D CB -0.334 40.509 40.800 0.072 0.000 0.961 130 D HN 0.164 nan 8.370 nan 0.000 0.460 131 L N 0.516 121.881 121.223 0.237 0.000 2.056 131 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 131 L C 2.225 179.451 176.870 0.595 0.000 1.078 131 L CA 1.007 56.083 54.840 0.392 0.000 0.749 131 L CB -0.990 41.283 42.059 0.357 0.000 0.901 131 L HN 0.057 nan 8.230 nan 0.000 0.433 132 L N -0.454 121.081 121.223 0.519 0.000 2.017 132 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 132 L C 2.683 179.635 176.870 0.137 0.000 1.073 132 L CA 1.711 56.741 54.840 0.316 0.000 0.745 132 L CB -0.554 41.643 42.059 0.231 0.000 0.894 132 L HN 0.174 nan 8.230 nan 0.000 0.432 133 R N -1.569 119.027 120.500 0.160 0.000 2.081 133 R HA -0.201 4.139 4.340 -0.000 0.000 0.235 133 R C 2.232 178.622 176.300 0.150 0.000 1.131 133 R CA 1.798 57.971 56.100 0.121 0.000 0.960 133 R CB -0.748 29.622 30.300 0.118 0.000 0.856 133 R HN 0.419 nan 8.270 nan 0.000 0.436 134 F N 0.472 120.457 119.950 0.058 0.000 2.069 134 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 134 F C 1.612 177.438 175.800 0.043 0.000 1.113 134 F CA 1.490 59.477 58.000 -0.021 0.000 1.214 134 F CB -0.474 38.414 39.000 -0.186 0.000 0.978 134 F HN -0.044 nan 8.300 nan 0.000 0.474 135 Y N 0.243 120.514 120.300 -0.048 0.000 2.337 135 Y HA -0.099 4.451 4.550 -0.000 0.000 0.293 135 Y C 2.573 178.582 175.900 0.183 0.000 1.123 135 Y CA 1.124 59.215 58.100 -0.016 0.000 1.201 135 Y CB -0.827 37.642 38.460 0.014 0.000 1.011 135 Y HN 0.122 nan 8.280 nan 0.000 0.545 136 Q N 0.270 120.152 119.800 0.137 0.000 2.124 136 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 136 Q C 1.271 177.369 176.000 0.163 0.000 0.977 136 Q CA 1.528 57.405 55.803 0.124 0.000 0.850 136 Q CB -0.528 28.208 28.738 -0.004 0.000 0.901 136 Q HN 0.674 nan 8.270 nan 0.000 0.429 137 N N -0.819 117.940 118.700 0.099 0.000 2.422 137 N HA -0.052 4.688 4.740 -0.000 0.000 0.181 137 N C 0.001 175.534 175.510 0.038 0.000 1.080 137 N CA -0.370 52.712 53.050 0.054 0.000 0.893 137 N CB 0.097 38.613 38.487 0.047 0.000 0.973 137 N HN 0.177 nan 8.380 nan 0.000 0.456 138 W N 2.933 124.143 121.300 -0.149 0.000 2.251 138 W HA 0.086 4.746 4.660 -0.000 0.000 0.327 138 W C -0.611 175.817 176.519 -0.152 0.000 1.361 138 W CA -0.094 57.126 57.345 -0.208 0.000 1.234 138 W CB 0.567 29.834 29.460 -0.322 0.000 1.212 138 W HN -0.073 nan 8.180 nan 0.000 0.557 139 Q N 8.342 127.575 119.800 -0.945 0.000 2.333 139 Q HA 0.309 4.649 4.340 -0.000 0.000 0.268 139 Q C -2.091 173.033 176.000 -1.459 0.000 1.007 139 Q CA -2.040 53.139 55.803 -1.040 0.000 0.810 139 Q CB 1.419 29.843 28.738 -0.523 0.000 1.264 139 Q HN 0.377 nan 8.270 nan 0.000 0.452 140 P HA 0.089 nan 4.420 nan 0.000 0.271 140 P C -0.134 176.774 177.300 -0.653 0.000 1.218 140 P CA 0.029 62.462 63.100 -1.112 0.000 0.780 140 P CB 0.875 32.083 31.700 -0.820 0.000 0.901 141 A N 2.493 124.926 122.820 -0.645 0.000 2.072 141 A HA 0.108 4.428 4.320 -0.000 0.000 0.216 141 A C 0.273 177.232 177.584 -1.043 0.000 1.156 141 A CA 0.644 52.098 52.037 -0.971 0.000 0.701 141 A CB -0.232 17.849 19.000 -1.531 0.000 0.816 141 A HN 0.564 nan 8.150 nan 0.000 0.458 142 W N -2.634 118.618 121.300 -0.081 0.000 3.062 142 W HA 0.639 5.299 4.660 -0.000 0.000 0.336 142 W C 0.019 176.479 176.519 -0.097 0.000 1.224 142 W CA -1.365 55.935 57.345 -0.074 0.000 1.159 142 W CB 0.937 30.368 29.460 -0.049 0.000 1.454 142 W HN 0.117 nan 8.180 nan 0.000 0.569 143 A N 2.982 125.894 122.820 0.153 0.000 2.466 143 A HA 0.470 4.790 4.320 -0.000 0.000 0.238 143 A C -2.103 175.487 177.584 0.010 0.000 1.074 143 A CA -0.652 51.411 52.037 0.044 0.000 0.774 143 A CB -0.829 18.195 19.000 0.041 0.000 1.015 143 A HN 0.147 nan 8.150 nan 0.000 0.498 144 P HA 0.287 nan 4.420 nan 0.000 0.271 144 P C 0.773 177.900 177.300 -0.288 0.000 1.218 144 P CA 1.400 64.324 63.100 -0.293 0.000 0.780 144 P CB 0.532 31.996 31.700 -0.394 0.000 0.901 145 G N 1.439 109.985 108.800 -0.423 0.000 2.198 145 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 145 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 145 G C 0.610 175.492 174.900 -0.031 0.000 1.025 145 G CA 0.795 45.873 45.100 -0.037 0.000 0.769 145 G HN 0.738 nan 8.290 nan 0.000 0.507 146 T N -5.080 109.387 114.554 -0.145 0.000 2.989 146 T HA 0.426 4.776 4.350 -0.000 0.000 0.250 146 T C 0.525 175.091 174.700 -0.223 0.000 0.981 146 T CA 0.726 62.768 62.100 -0.096 0.000 0.980 146 T CB 0.642 69.488 68.868 -0.037 0.000 1.133 146 T HN 0.273 nan 8.240 nan 0.000 0.489 147 Q N 1.128 120.745 119.800 -0.305 0.000 2.323 147 Q HA 0.451 4.791 4.340 -0.000 0.000 0.271 147 Q C -1.332 174.478 176.000 -0.316 0.000 1.048 147 Q CA -0.448 55.099 55.803 -0.428 0.000 0.792 147 Q CB 3.110 31.310 28.738 -0.897 0.000 1.280 147 Q HN 0.381 nan 8.270 nan 0.000 0.441 148 R N 2.620 122.960 120.500 -0.267 0.000 2.221 148 R HA 0.454 4.794 4.340 -0.000 0.000 0.327 148 R C -1.124 175.159 176.300 -0.027 0.000 1.033 148 R CA -0.495 55.533 56.100 -0.119 0.000 0.887 148 R CB 0.359 30.619 30.300 -0.066 0.000 1.057 148 R HN 0.440 nan 8.270 nan 0.000 0.455 149 L N 6.235 127.513 121.223 0.091 0.000 2.415 149 L HA 0.249 4.589 4.340 -0.000 0.000 0.268 149 L C -1.381 175.538 176.870 0.082 0.000 0.984 149 L CA -0.756 54.163 54.840 0.132 0.000 0.853 149 L CB 1.008 43.236 42.059 0.281 0.000 1.215 149 L HN 0.586 nan 8.230 nan 0.000 0.419 150 Y N 4.852 125.031 120.300 -0.201 0.000 2.805 150 Y HA 0.378 4.927 4.550 -0.000 0.000 0.331 150 Y C 0.007 175.714 175.900 -0.321 0.000 1.241 150 Y CA 0.884 58.631 58.100 -0.587 0.000 1.546 150 Y CB 0.384 38.557 38.460 -0.478 0.000 1.248 150 Y HN 0.797 nan 8.280 nan 0.000 0.559 151 A N 5.762 128.159 122.820 -0.705 0.000 2.465 151 A HA 0.307 4.627 4.320 -0.000 0.000 0.292 151 A C 0.000 177.467 177.584 -0.196 0.000 1.041 151 A CA -0.921 50.970 52.037 -0.245 0.000 0.718 151 A CB 0.847 19.846 19.000 -0.001 0.000 1.266 151 A HN 0.794 nan 8.150 nan 0.000 0.403 152 N N 1.180 119.817 118.700 -0.105 0.000 2.166 152 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 152 N C 1.997 177.555 175.510 0.081 0.000 1.019 152 N CA 1.959 55.020 53.050 0.020 0.000 0.856 152 N CB -0.088 38.474 38.487 0.125 0.000 0.993 152 N HN 0.829 nan 8.380 nan 0.000 0.426 153 S N -1.156 114.610 115.700 0.110 0.000 2.515 153 S HA 0.077 4.547 4.470 -0.000 0.000 0.231 153 S C 2.004 176.767 174.600 0.272 0.000 0.987 153 S CA 0.737 59.074 58.200 0.229 0.000 0.936 153 S CB 0.036 63.382 63.200 0.245 0.000 0.766 153 S HN 0.145 nan 8.310 nan 0.000 0.528 154 S N 1.224 117.024 115.700 0.168 0.000 2.324 154 S HA 0.272 4.742 4.470 -0.000 0.000 0.210 154 S C 1.598 176.279 174.600 0.136 0.000 1.027 154 S CA 0.510 58.803 58.200 0.155 0.000 0.945 154 S CB -0.550 62.762 63.200 0.186 0.000 0.908 154 S HN 0.563 nan 8.310 nan 0.000 0.496 155 I N 1.272 121.927 120.570 0.141 0.000 2.614 155 I HA -0.015 4.155 4.170 -0.000 0.000 0.258 155 I C 2.034 178.218 176.117 0.111 0.000 1.189 155 I CA 1.124 62.498 61.300 0.123 0.000 1.462 155 I CB -0.508 37.560 38.000 0.113 0.000 1.092 155 I HN 0.463 nan 8.210 nan 0.000 0.442 156 G N 0.902 109.730 108.800 0.047 0.000 2.418 156 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 156 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 156 G C 1.519 176.353 174.900 -0.110 0.000 1.158 156 G CA 0.787 45.846 45.100 -0.069 0.000 0.771 156 G HN 0.380 nan 8.290 nan 0.000 0.545 157 L N -0.276 120.932 121.223 -0.024 0.000 2.109 157 L HA 0.194 4.534 4.340 -0.000 0.000 0.207 157 L C 2.401 179.204 176.870 -0.112 0.000 1.086 157 L CA 1.293 56.053 54.840 -0.134 0.000 0.760 157 L CB -0.731 41.178 42.059 -0.249 0.000 0.910 157 L HN 0.220 nan 8.230 nan 0.000 0.437 158 F N 0.426 120.296 119.950 -0.133 0.000 2.091 158 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 158 F C 2.134 177.854 175.800 -0.132 0.000 1.103 158 F CA 1.877 59.801 58.000 -0.127 0.000 1.228 158 F CB -0.971 37.969 39.000 -0.100 0.000 0.984 158 F HN 0.120 nan 8.300 nan 0.000 0.477 159 G N -0.496 108.144 108.800 -0.266 0.000 2.402 159 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 159 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 159 G C 1.835 176.559 174.900 -0.294 0.000 1.162 159 G CA 0.809 45.728 45.100 -0.300 0.000 0.777 159 G HN 0.649 nan 8.290 nan 0.000 0.539 160 A N 0.647 123.237 122.820 -0.384 0.000 1.883 160 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 160 A C 2.417 179.827 177.584 -0.290 0.000 1.186 160 A CA 1.339 53.181 52.037 -0.326 0.000 0.624 160 A CB -0.414 18.358 19.000 -0.380 0.000 0.822 160 A HN 0.351 nan 8.150 nan 0.000 0.444 161 L N -1.104 119.915 121.223 -0.341 0.000 2.156 161 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 161 L C 3.010 179.674 176.870 -0.342 0.000 1.095 161 L CA 0.779 55.438 54.840 -0.302 0.000 0.770 161 L CB -0.551 41.356 42.059 -0.253 0.000 0.914 161 L HN 0.438 nan 8.230 nan 0.000 0.439 162 A N 0.324 122.848 122.820 -0.493 0.000 1.972 162 A HA -0.139 4.180 4.320 -0.000 0.000 0.219 162 A C 2.160 179.576 177.584 -0.280 0.000 1.169 162 A CA 1.774 53.493 52.037 -0.529 0.000 0.635 162 A CB -0.661 17.844 19.000 -0.825 0.000 0.810 162 A HN 0.343 nan 8.150 nan 0.000 0.446 163 V N -3.763 116.038 119.914 -0.189 0.000 3.541 163 V HA 0.051 4.171 4.120 -0.000 0.000 0.267 163 V C 1.696 177.742 176.094 -0.080 0.000 1.213 163 V CA 1.058 63.289 62.300 -0.115 0.000 1.149 163 V CB -0.447 31.331 31.823 -0.075 0.000 0.822 163 V HN 0.253 nan 8.190 nan 0.000 0.462 164 K N 1.408 121.764 120.400 -0.074 0.000 2.026 164 K HA -0.011 4.309 4.320 -0.000 0.000 0.208 164 K C 0.288 176.891 176.600 0.005 0.000 1.048 164 K CA 1.804 58.071 56.287 -0.034 0.000 0.929 164 K CB -1.843 30.645 32.500 -0.020 0.000 0.713 164 K HN 0.464 nan 8.250 nan 0.000 0.439 165 P HA -0.151 nan 4.420 nan 0.000 0.216 165 P C 1.493 178.798 177.300 0.007 0.000 1.150 165 P CA 1.737 64.866 63.100 0.048 0.000 0.843 165 P CB -0.124 31.632 31.700 0.092 0.000 0.787 166 S N -1.829 113.862 115.700 -0.015 0.000 2.447 166 S HA 0.049 4.519 4.470 -0.000 0.000 0.233 166 S C 1.879 176.459 174.600 -0.033 0.000 1.006 166 S CA 1.046 59.228 58.200 -0.031 0.000 0.957 166 S CB -1.434 61.734 63.200 -0.054 0.000 0.773 166 S HN 0.329 nan 8.310 nan 0.000 0.507 167 G N 0.646 109.427 108.800 -0.032 0.000 2.179 167 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.260 167 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.260 167 G C -0.005 174.870 174.900 -0.043 0.000 0.977 167 G CA 0.381 45.461 45.100 -0.033 0.000 0.641 167 G HN 0.562 nan 8.290 nan 0.000 0.533 168 L N 1.801 122.990 121.223 -0.057 0.000 2.418 168 L HA 0.530 4.870 4.340 -0.000 0.000 0.265 168 L C 1.580 178.412 176.870 -0.064 0.000 1.143 168 L CA -0.083 54.715 54.840 -0.070 0.000 0.809 168 L CB 1.203 43.202 42.059 -0.100 0.000 1.124 168 L HN 0.436 nan 8.230 nan 0.000 0.456 169 S N 0.929 116.595 115.700 -0.057 0.000 2.589 169 S HA 0.016 4.486 4.470 -0.000 0.000 0.265 169 S C 0.827 175.402 174.600 -0.040 0.000 1.342 169 S CA -0.343 57.837 58.200 -0.033 0.000 1.005 169 S CB 0.487 63.672 63.200 -0.024 0.000 0.909 169 S HN 0.541 nan 8.310 nan 0.000 0.555 170 F N 1.295 121.163 119.950 -0.138 0.000 2.102 170 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 170 F C 2.489 178.187 175.800 -0.170 0.000 1.105 170 F CA 2.144 60.046 58.000 -0.163 0.000 1.239 170 F CB -0.515 38.385 39.000 -0.167 0.000 0.991 170 F HN 0.942 nan 8.300 nan 0.000 0.474 171 E N -0.245 119.908 120.200 -0.079 0.000 2.077 171 E HA -0.338 4.012 4.350 -0.000 0.000 0.193 171 E C 2.217 178.668 176.600 -0.248 0.000 0.989 171 E CA 1.507 57.809 56.400 -0.163 0.000 0.800 171 E CB -0.303 29.396 29.700 -0.002 0.000 0.746 171 E HN 0.576 nan 8.360 nan 0.000 0.452 172 Q N 0.322 120.017 119.800 -0.176 0.000 2.079 172 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 172 Q C 1.946 177.798 176.000 -0.247 0.000 0.974 172 Q CA 1.889 57.591 55.803 -0.169 0.000 0.840 172 Q CB -0.377 28.298 28.738 -0.104 0.000 0.898 172 Q HN 0.338 nan 8.270 nan 0.000 0.430 173 A N 0.320 122.967 122.820 -0.289 0.000 1.883 173 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 173 A C 2.108 179.412 177.584 -0.467 0.000 1.186 173 A CA 1.941 53.780 52.037 -0.330 0.000 0.624 173 A CB -0.739 18.071 19.000 -0.318 0.000 0.822 173 A HN 0.575 nan 8.150 nan 0.000 0.444 174 M N -0.669 118.511 119.600 -0.701 0.000 2.175 174 M HA -0.133 4.347 4.480 -0.000 0.000 0.264 174 M C 2.123 177.818 176.300 -1.007 0.000 1.063 174 M CA 1.883 56.631 55.300 -0.919 0.000 1.119 174 M CB -0.422 31.471 32.600 -1.178 0.000 1.377 174 M HN 0.554 nan 8.290 nan 0.000 0.415 175 Q N -1.098 118.285 119.800 -0.695 0.000 2.046 175 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 175 Q C 1.798 177.625 176.000 -0.288 0.000 0.975 175 Q CA 2.188 57.728 55.803 -0.438 0.000 0.836 175 Q CB -0.046 28.541 28.738 -0.252 0.000 0.896 175 Q HN 0.752 nan 8.270 nan 0.000 0.428 176 T N -2.674 111.726 114.554 -0.257 0.000 3.035 176 T HA 0.070 4.420 4.350 -0.000 0.000 0.259 176 T C 1.592 176.203 174.700 -0.148 0.000 1.078 176 T CA 0.302 62.302 62.100 -0.166 0.000 1.132 176 T CB 0.048 68.834 68.868 -0.136 0.000 0.900 176 T HN 0.156 nan 8.240 nan 0.000 0.480 177 R N -0.012 120.372 120.500 -0.194 0.000 2.282 177 R HA 0.401 4.741 4.340 -0.000 0.000 0.195 177 R C 1.415 177.653 176.300 -0.103 0.000 0.909 177 R CA 0.183 56.201 56.100 -0.137 0.000 1.039 177 R CB 0.464 30.678 30.300 -0.144 0.000 1.015 177 R HN 0.286 nan 8.270 nan 0.000 0.513 178 V N -0.869 118.945 119.914 -0.166 0.000 3.134 178 V HA 0.032 4.152 4.120 -0.000 0.000 0.222 178 V C 1.405 177.555 176.094 0.093 0.000 1.247 178 V CA 0.450 62.730 62.300 -0.034 0.000 1.281 178 V CB -0.389 31.374 31.823 -0.101 0.000 1.169 178 V HN -0.050 nan 8.190 nan 0.000 0.512 179 F N 1.509 121.404 119.950 -0.091 0.000 2.046 179 F HA -0.169 4.358 4.527 -0.000 0.000 0.297 179 F C 2.661 178.389 175.800 -0.120 0.000 1.123 179 F CA 1.671 59.585 58.000 -0.144 0.000 1.199 179 F CB -1.323 37.483 39.000 -0.323 0.000 0.972 179 F HN 0.170 nan 8.300 nan 0.000 0.474 180 Q N -0.136 119.692 119.800 0.048 0.000 2.030 180 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 180 Q C -0.266 175.733 176.000 -0.001 0.000 0.986 180 Q CA 2.041 57.831 55.803 -0.021 0.000 0.843 180 Q CB -1.572 27.128 28.738 -0.063 0.000 0.904 180 Q HN 0.270 nan 8.270 nan 0.000 0.420 181 P HA -0.152 nan 4.420 nan 0.000 0.219 181 P C 0.623 177.949 177.300 0.044 0.000 1.146 181 P CA 1.227 64.337 63.100 0.018 0.000 0.808 181 P CB 0.044 31.754 31.700 0.017 0.000 0.779 182 L N -1.311 119.966 121.223 0.090 0.000 2.611 182 L HA 0.163 4.503 4.340 -0.000 0.000 0.229 182 L C 0.426 177.349 176.870 0.087 0.000 1.137 182 L CA 0.058 54.969 54.840 0.119 0.000 0.901 182 L CB -0.584 41.618 42.059 0.239 0.000 1.098 182 L HN -0.040 nan 8.230 nan 0.000 0.456 183 K N 0.693 121.118 120.400 0.042 0.000 3.071 183 K HA -0.177 4.143 4.320 -0.000 0.000 0.265 183 K C -0.220 176.370 176.600 -0.016 0.000 1.060 183 K CA 0.443 56.729 56.287 -0.002 0.000 0.767 183 K CB -1.975 30.527 32.500 0.003 0.000 1.241 183 K HN 0.357 nan 8.250 nan 0.000 0.486 184 L N 1.325 122.538 121.223 -0.017 0.000 2.387 184 L HA 0.125 4.465 4.340 -0.000 0.000 0.267 184 L C 0.950 177.655 176.870 -0.276 0.000 1.197 184 L CA -0.430 54.350 54.840 -0.100 0.000 1.070 184 L CB -0.002 42.000 42.059 -0.095 0.000 1.349 184 L HN 0.128 nan 8.230 nan 0.000 0.422 185 N N 0.354 118.875 118.700 -0.298 0.000 2.398 185 N HA -0.010 4.730 4.740 -0.000 0.000 0.188 185 N C 0.538 175.598 175.510 -0.751 0.000 1.122 185 N CA 0.551 53.304 53.050 -0.495 0.000 0.866 185 N CB 0.230 38.433 38.487 -0.474 0.000 0.970 185 N HN 0.488 nan 8.380 nan 0.000 0.462 186 H N -1.017 117.954 119.070 -0.165 0.000 2.676 186 H HA 0.289 4.845 4.556 -0.000 0.000 0.238 186 H C -0.412 174.805 175.328 -0.185 0.000 1.276 186 H CA -0.121 55.890 56.048 -0.061 0.000 0.983 186 H CB 0.234 29.994 29.762 -0.003 0.000 2.000 186 H HN -0.156 nan 8.280 nan 0.000 0.584 187 T N 0.956 115.204 114.554 -0.511 0.000 2.840 187 T HA 0.319 4.669 4.350 -0.000 0.000 0.287 187 T C -0.738 173.296 174.700 -1.110 0.000 0.991 187 T CA -0.467 61.151 62.100 -0.803 0.000 0.964 187 T CB 1.291 69.439 68.868 -1.200 0.000 0.954 187 T HN 0.222 nan 8.240 nan 0.000 0.438 188 W N 1.962 122.928 121.300 -0.556 0.000 3.032 188 W HA 0.565 5.225 4.660 0.000 0.000 0.335 188 W C 0.697 177.059 176.519 -0.262 0.000 1.154 188 W CA -0.846 56.300 57.345 -0.331 0.000 1.204 188 W CB 1.096 30.395 29.460 -0.269 0.000 1.416 188 W HN 0.511 nan 8.180 nan 0.000 0.521 189 I N 1.630 122.289 120.570 0.147 0.000 2.480 189 I HA -0.069 4.101 4.170 -0.000 0.000 0.251 189 I C 0.345 176.485 176.117 0.037 0.000 1.124 189 I CA 0.942 62.282 61.300 0.066 0.000 1.444 189 I CB -0.046 38.012 38.000 0.097 0.000 1.098 189 I HN 0.265 nan 8.210 nan 0.000 0.428 190 N N 0.983 119.750 118.700 0.111 0.000 2.483 190 N HA 0.248 4.988 4.740 -0.000 0.000 0.267 190 N C -0.929 174.512 175.510 -0.115 0.000 0.998 190 N CA -0.248 52.803 53.050 -0.000 0.000 0.918 190 N CB 2.456 40.951 38.487 0.014 0.000 1.215 190 N HN -0.224 nan 8.380 nan 0.000 0.500 191 V N 4.895 124.644 119.914 -0.274 0.000 2.446 191 V HA 0.134 4.254 4.120 -0.000 0.000 0.276 191 V C -1.472 174.302 176.094 -0.533 0.000 1.030 191 V CA -0.731 61.265 62.300 -0.506 0.000 1.033 191 V CB 0.273 31.778 31.823 -0.531 0.000 0.993 191 V HN 0.512 nan 8.190 nan 0.000 0.477 192 P HA 0.336 nan 4.420 nan 0.000 0.278 192 P C -2.343 174.729 177.300 -0.380 0.000 1.258 192 P CA -1.992 60.742 63.100 -0.610 0.000 0.811 192 P CB 0.833 32.011 31.700 -0.870 0.000 1.063 193 P HA -0.217 nan 4.420 nan 0.000 0.216 193 P C 1.485 178.706 177.300 -0.132 0.000 1.157 193 P CA 2.366 65.379 63.100 -0.146 0.000 0.880 193 P CB -0.590 31.047 31.700 -0.105 0.000 0.791 194 A N -0.479 122.253 122.820 -0.146 0.000 2.131 194 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 194 A C 1.944 179.472 177.584 -0.094 0.000 1.158 194 A CA 1.548 53.526 52.037 -0.098 0.000 0.665 194 A CB -0.739 18.215 19.000 -0.077 0.000 0.795 194 A HN 0.156 nan 8.150 nan 0.000 0.460 195 E N -0.963 119.141 120.200 -0.160 0.000 2.511 195 E HA 0.023 4.373 4.350 -0.000 0.000 0.209 195 E C 1.221 177.762 176.600 -0.098 0.000 0.986 195 E CA 0.063 56.385 56.400 -0.130 0.000 0.974 195 E CB 0.082 29.655 29.700 -0.212 0.000 1.030 195 E HN 0.755 nan 8.360 nan 0.000 0.490 196 E N 1.462 121.610 120.200 -0.087 0.000 2.209 196 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 196 E C 1.935 178.539 176.600 0.007 0.000 0.993 196 E CA 1.259 57.649 56.400 -0.016 0.000 0.819 196 E CB -0.100 29.587 29.700 -0.021 0.000 0.745 196 E HN 0.220 nan 8.360 nan 0.000 0.477 197 K N 0.296 120.693 120.400 -0.004 0.000 2.362 197 K HA -0.050 4.270 4.320 -0.000 0.000 0.200 197 K C 1.135 177.744 176.600 0.015 0.000 1.046 197 K CA 1.085 57.378 56.287 0.011 0.000 0.952 197 K CB 0.137 32.641 32.500 0.007 0.000 0.753 197 K HN -0.011 nan 8.250 nan 0.000 0.466 198 N N -0.070 118.634 118.700 0.007 0.000 2.236 198 N HA -0.053 4.687 4.740 -0.000 0.000 0.196 198 N C -0.718 174.811 175.510 0.031 0.000 1.114 198 N CA 0.001 53.054 53.050 0.004 0.000 0.859 198 N CB 0.196 38.668 38.487 -0.025 0.000 0.982 198 N HN 0.175 nan 8.380 nan 0.000 0.493 199 Y N 3.145 123.356 120.300 -0.147 0.000 2.539 199 Y HA 0.427 4.977 4.550 -0.000 0.000 0.352 199 Y C 0.181 175.970 175.900 -0.186 0.000 1.004 199 Y CA -1.828 56.146 58.100 -0.210 0.000 1.278 199 Y CB -0.560 37.718 38.460 -0.303 0.000 1.136 199 Y HN -0.035 nan 8.280 nan 0.000 0.528 200 A N 6.173 129.055 122.820 0.103 0.000 2.520 200 A HA 0.076 4.396 4.320 -0.000 0.000 0.235 200 A C -0.448 177.165 177.584 0.049 0.000 1.065 200 A CA -0.269 51.797 52.037 0.049 0.000 0.764 200 A CB 0.037 19.015 19.000 -0.037 0.000 1.002 200 A HN 0.871 nan 8.150 nan 0.000 0.502 201 W N 0.801 122.134 121.300 0.054 0.000 2.218 201 W HA 0.466 5.126 4.660 -0.000 0.000 0.326 201 W C 0.942 177.225 176.519 -0.393 0.000 1.276 201 W CA 0.618 57.814 57.345 -0.247 0.000 1.210 201 W CB 0.917 30.064 29.460 -0.522 0.000 1.143 201 W HN 0.931 nan 8.180 nan 0.000 0.563 202 G N 1.270 109.928 108.800 -0.237 0.000 2.477 202 G HA2 0.554 4.514 3.960 -0.000 0.000 0.304 202 G HA3 0.554 4.514 3.960 -0.000 0.000 0.304 202 G C -2.152 172.378 174.900 -0.616 0.000 1.175 202 G CA -0.527 44.180 45.100 -0.654 0.000 0.907 202 G HN 0.427 nan 8.290 nan 0.000 0.509 203 Y N -0.521 119.720 120.300 -0.098 0.000 2.373 203 Y HA 0.587 5.136 4.550 -0.000 0.000 0.336 203 Y C 0.345 176.245 175.900 0.000 0.000 0.979 203 Y CA -0.860 57.224 58.100 -0.028 0.000 1.080 203 Y CB 2.486 40.931 38.460 -0.024 0.000 1.190 203 Y HN 0.487 nan 8.280 nan 0.000 0.446 204 R N 2.976 123.548 120.500 0.119 0.000 2.518 204 R HA 0.245 4.585 4.340 -0.000 0.000 0.296 204 R C -0.921 175.423 176.300 0.072 0.000 1.080 204 R CA -0.378 55.774 56.100 0.088 0.000 0.922 204 R CB 0.790 31.128 30.300 0.063 0.000 1.184 204 R HN 0.816 nan 8.270 nan 0.000 0.445 205 E N 2.588 122.830 120.200 0.069 0.000 2.360 205 E HA -0.237 4.113 4.350 -0.000 0.000 0.238 205 E C 0.574 177.205 176.600 0.050 0.000 1.186 205 E CA 1.349 57.778 56.400 0.048 0.000 0.719 205 E CB -1.507 28.212 29.700 0.032 0.000 1.236 205 E HN 1.184 nan 8.360 nan 0.000 0.386 206 G N -1.020 107.829 108.800 0.081 0.000 2.205 206 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.261 206 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.261 206 G C 0.192 175.170 174.900 0.130 0.000 0.980 206 G CA 0.821 45.970 45.100 0.080 0.000 0.632 206 G HN 0.158 nan 8.290 nan 0.000 0.533 207 K N 0.816 121.277 120.400 0.102 0.000 2.185 207 K HA 0.748 5.068 4.320 -0.000 0.000 0.269 207 K C 0.435 176.989 176.600 -0.078 0.000 0.987 207 K CA -0.009 56.287 56.287 0.016 0.000 0.865 207 K CB 1.579 34.060 32.500 -0.032 0.000 1.090 207 K HN 0.670 nan 8.250 nan 0.000 0.450 208 A N 2.589 125.246 122.820 -0.270 0.000 2.491 208 A HA 0.377 4.697 4.320 -0.000 0.000 0.261 208 A C 0.173 177.532 177.584 -0.375 0.000 1.101 208 A CA -0.308 51.344 52.037 -0.641 0.000 0.772 208 A CB -0.323 18.073 19.000 -1.006 0.000 1.043 208 A HN 0.494 nan 8.150 nan 0.000 0.501 209 V N 1.136 120.964 119.914 -0.144 0.000 2.971 209 V HA 0.660 4.780 4.120 -0.000 0.000 0.309 209 V C -0.640 175.588 176.094 0.223 0.000 1.130 209 V CA -0.861 61.485 62.300 0.078 0.000 0.964 209 V CB 1.207 33.065 31.823 0.058 0.000 1.029 209 V HN 0.948 nan 8.190 nan 0.000 0.427 210 H N 0.722 119.936 119.070 0.239 0.000 2.670 210 H HA 0.686 5.242 4.556 -0.000 0.000 0.361 210 H C -0.423 174.998 175.328 0.155 0.000 1.169 210 H CA -0.987 55.135 56.048 0.122 0.000 1.198 210 H CB 2.308 32.002 29.762 -0.113 0.000 1.700 210 H HN 0.768 nan 8.280 nan 0.000 0.542 211 V N 2.280 122.379 119.914 0.307 0.000 2.599 211 V HA -0.014 4.106 4.120 -0.000 0.000 0.300 211 V C -0.165 176.046 176.094 0.195 0.000 1.034 211 V CA 0.267 62.703 62.300 0.227 0.000 1.115 211 V CB 0.690 32.646 31.823 0.223 0.000 0.934 211 V HN 0.737 nan 8.190 nan 0.000 0.485 212 S N 7.648 123.445 115.700 0.163 0.000 2.580 212 S HA 0.414 4.884 4.470 -0.000 0.000 0.274 212 S C -2.213 172.476 174.600 0.148 0.000 1.329 212 S CA -0.628 57.653 58.200 0.134 0.000 1.036 212 S CB 0.964 64.222 63.200 0.098 0.000 0.919 212 S HN 0.826 nan 8.310 nan 0.000 0.515 213 P HA 0.396 nan 4.420 nan 0.000 0.267 213 P C -0.076 177.283 177.300 0.098 0.000 1.200 213 P CA 0.051 63.203 63.100 0.086 0.000 0.772 213 P CB 0.370 32.101 31.700 0.052 0.000 0.855 214 G N -0.028 108.824 108.800 0.086 0.000 2.646 214 G HA2 0.544 4.504 3.960 -0.000 0.000 0.291 214 G HA3 0.544 4.504 3.960 -0.000 0.000 0.291 214 G C -1.435 173.473 174.900 0.013 0.000 1.445 214 G CA -0.424 44.727 45.100 0.085 0.000 0.814 214 G HN 0.524 nan 8.290 nan 0.000 0.495 215 A N 0.279 123.095 122.820 -0.006 0.000 2.546 215 A HA 0.521 4.841 4.320 -0.000 0.000 0.243 215 A C 1.390 178.930 177.584 -0.074 0.000 1.063 215 A CA 0.550 52.561 52.037 -0.044 0.000 0.757 215 A CB -0.524 18.444 19.000 -0.053 0.000 0.991 215 A HN 1.767 nan 8.150 nan 0.000 0.503 216 L N 0.691 121.834 121.223 -0.133 0.000 3.839 216 L HA -0.327 4.013 4.340 -0.000 0.000 0.416 216 L C 1.121 177.771 176.870 -0.367 0.000 1.195 216 L CA 0.607 55.312 54.840 -0.225 0.000 0.946 216 L CB -1.850 40.124 42.059 -0.141 0.000 1.891 216 L HN 0.994 nan 8.230 nan 0.000 0.963 217 D N 0.234 120.372 120.400 -0.437 0.000 2.097 217 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 217 D C 1.992 177.867 176.300 -0.708 0.000 0.984 217 D CA 1.415 54.868 54.000 -0.911 0.000 0.826 217 D CB -0.116 40.356 40.800 -0.546 0.000 0.973 217 D HN 0.437 nan 8.370 nan 0.000 0.460 218 A N 0.746 123.335 122.820 -0.385 0.000 1.917 218 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 218 A C 2.109 179.555 177.584 -0.231 0.000 1.182 218 A CA 2.114 54.031 52.037 -0.201 0.000 0.633 218 A CB -0.707 18.262 19.000 -0.052 0.000 0.819 218 A HN 0.245 nan 8.150 nan 0.000 0.448 219 E N -0.805 119.043 120.200 -0.587 0.000 2.216 219 E HA 0.209 4.559 4.350 -0.000 0.000 0.192 219 E C 1.963 178.417 176.600 -0.245 0.000 0.988 219 E CA 1.097 57.069 56.400 -0.713 0.000 0.834 219 E CB -0.159 29.008 29.700 -0.887 0.000 0.772 219 E HN 0.595 nan 8.360 nan 0.000 0.479 220 A N -0.334 122.332 122.820 -0.258 0.000 2.013 220 A HA 0.104 4.424 4.320 -0.000 0.000 0.204 220 A C 0.759 178.393 177.584 0.084 0.000 1.262 220 A CA 0.491 52.491 52.037 -0.063 0.000 0.800 220 A CB 0.039 19.040 19.000 0.003 0.000 0.909 220 A HN 0.379 nan 8.150 nan 0.000 0.472 221 Y N -3.765 116.549 120.300 0.024 0.000 2.898 221 Y HA 0.513 5.063 4.550 -0.000 0.000 0.249 221 Y C 0.845 176.758 175.900 0.021 0.000 1.108 221 Y CA -0.428 57.698 58.100 0.043 0.000 1.184 221 Y CB -0.358 38.134 38.460 0.053 0.000 1.245 221 Y HN 0.009 nan 8.280 nan 0.000 0.611 222 G N 0.626 109.368 108.800 -0.096 0.000 3.126 222 G HA2 0.349 4.309 3.960 -0.000 0.000 0.224 222 G HA3 0.349 4.309 3.960 -0.000 0.000 0.224 222 G C -0.237 174.625 174.900 -0.063 0.000 1.142 222 G CA 0.046 45.090 45.100 -0.093 0.000 0.759 222 G HN 0.119 nan 8.290 nan 0.000 0.550 223 V N 0.638 120.508 119.914 -0.073 0.000 2.546 223 V HA 0.422 4.542 4.120 -0.000 0.000 0.284 223 V C -0.299 175.674 176.094 -0.202 0.000 1.050 223 V CA -0.462 61.730 62.300 -0.180 0.000 0.981 223 V CB 1.359 32.974 31.823 -0.346 0.000 0.990 223 V HN 0.138 nan 8.190 nan 0.000 0.474 224 K N 2.489 122.728 120.400 -0.269 0.000 2.324 224 K HA 0.794 5.114 4.320 -0.000 0.000 0.253 224 K C -0.578 175.866 176.600 -0.259 0.000 0.932 224 K CA -0.187 55.929 56.287 -0.286 0.000 0.799 224 K CB 2.037 34.257 32.500 -0.467 0.000 1.154 224 K HN 0.700 nan 8.250 nan 0.000 0.425 225 S N 0.309 115.931 115.700 -0.132 0.000 2.588 225 S HA 0.562 5.032 4.470 -0.000 0.000 0.269 225 S C -1.190 173.481 174.600 0.119 0.000 1.157 225 S CA -0.761 57.394 58.200 -0.074 0.000 0.824 225 S CB 1.021 64.143 63.200 -0.130 0.000 1.126 225 S HN 0.677 nan 8.310 nan 0.000 0.464 226 T N 0.624 115.253 114.554 0.124 0.000 2.927 226 T HA 0.510 4.860 4.350 -0.000 0.000 0.281 226 T C 1.330 176.155 174.700 0.209 0.000 0.998 226 T CA -0.568 61.657 62.100 0.208 0.000 1.019 226 T CB 0.732 69.671 68.868 0.118 0.000 1.061 226 T HN 0.421 nan 8.240 nan 0.000 0.518 227 I N 0.901 121.608 120.570 0.228 0.000 2.286 227 I HA -0.092 4.078 4.170 -0.000 0.000 0.248 227 I C 2.374 178.642 176.117 0.252 0.000 1.115 227 I CA 1.499 62.936 61.300 0.228 0.000 1.392 227 I CB -0.659 37.489 38.000 0.246 0.000 1.065 227 I HN 0.802 nan 8.210 nan 0.000 0.418 228 E N -0.146 120.104 120.200 0.083 0.000 2.072 228 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 228 E C 1.717 178.429 176.600 0.186 0.000 0.985 228 E CA 1.416 57.874 56.400 0.098 0.000 0.801 228 E CB -0.207 29.444 29.700 -0.082 0.000 0.750 228 E HN 0.501 nan 8.360 nan 0.000 0.452 229 D N 0.359 120.850 120.400 0.151 0.000 2.117 229 D HA -0.109 4.531 4.640 -0.000 0.000 0.198 229 D C 1.887 178.327 176.300 0.234 0.000 0.982 229 D CA 0.906 54.995 54.000 0.148 0.000 0.828 229 D CB -0.045 40.788 40.800 0.055 0.000 0.967 229 D HN 0.051 nan 8.370 nan 0.000 0.464 230 M N 0.425 120.175 119.600 0.251 0.000 2.159 230 M HA -0.029 4.451 4.480 -0.000 0.000 0.263 230 M C 2.224 178.720 176.300 0.326 0.000 1.063 230 M CA 0.721 56.222 55.300 0.336 0.000 1.110 230 M CB -1.081 31.693 32.600 0.289 0.000 1.374 230 M HN -0.017 nan 8.290 nan 0.000 0.411 231 A N 0.199 123.186 122.820 0.279 0.000 1.883 231 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 231 A C 2.364 180.029 177.584 0.136 0.000 1.186 231 A CA 1.593 53.750 52.037 0.201 0.000 0.624 231 A CB -0.658 18.489 19.000 0.246 0.000 0.822 231 A HN 0.430 nan 8.150 nan 0.000 0.444 232 R N -1.614 118.989 120.500 0.173 0.000 2.105 232 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 232 R C 2.177 178.573 176.300 0.160 0.000 1.135 232 R CA 1.550 57.730 56.100 0.134 0.000 0.967 232 R CB -0.372 30.018 30.300 0.150 0.000 0.861 232 R HN 0.892 nan 8.270 nan 0.000 0.442 233 W N 0.889 122.216 121.300 0.044 0.000 2.379 233 W HA -0.172 4.488 4.660 0.000 0.000 0.307 233 W C 1.525 177.991 176.519 -0.087 0.000 1.200 233 W CA 1.131 58.489 57.345 0.022 0.000 1.297 233 W CB -0.069 29.453 29.460 0.103 0.000 1.140 233 W HN -0.128 nan 8.180 nan 0.000 0.507 234 V N 1.244 121.082 119.914 -0.127 0.000 2.343 234 V HA -0.337 3.783 4.120 -0.000 0.000 0.247 234 V C 2.380 178.105 176.094 -0.615 0.000 1.051 234 V CA 2.432 64.460 62.300 -0.452 0.000 1.036 234 V CB -1.182 30.529 31.823 -0.186 0.000 0.654 234 V HN 0.171 nan 8.190 nan 0.000 0.451 235 Q N 0.574 120.172 119.800 -0.337 0.000 2.124 235 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 235 Q C 2.274 178.065 176.000 -0.349 0.000 0.977 235 Q CA 2.221 57.843 55.803 -0.302 0.000 0.850 235 Q CB -0.434 28.210 28.738 -0.156 0.000 0.901 235 Q HN 0.648 nan 8.270 nan 0.000 0.429 236 S N 0.374 115.867 115.700 -0.344 0.000 2.387 236 S HA -0.016 4.454 4.470 -0.000 0.000 0.226 236 S C 1.532 175.838 174.600 -0.490 0.000 1.026 236 S CA 1.027 59.032 58.200 -0.325 0.000 0.972 236 S CB -0.241 62.832 63.200 -0.212 0.000 0.814 236 S HN 0.493 nan 8.310 nan 0.000 0.477 237 N N 1.235 119.459 118.700 -0.793 0.000 2.354 237 N HA 0.138 4.878 4.740 -0.000 0.000 0.179 237 N C 1.629 176.584 175.510 -0.924 0.000 1.021 237 N CA 0.437 52.937 53.050 -0.917 0.000 0.887 237 N CB -0.159 37.573 38.487 -1.259 0.000 0.974 237 N HN 0.307 nan 8.380 nan 0.000 0.437 238 L N 0.499 121.118 121.223 -1.007 0.000 2.046 238 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 238 L C 1.201 177.874 176.870 -0.329 0.000 1.077 238 L CA 1.235 55.708 54.840 -0.611 0.000 0.747 238 L CB 0.074 41.836 42.059 -0.494 0.000 0.896 238 L HN -0.008 nan 8.230 nan 0.000 0.432 239 K N -1.054 119.162 120.400 -0.307 0.000 3.207 239 K HA 0.178 4.497 4.320 -0.000 0.000 0.166 239 K C -1.967 174.527 176.600 -0.177 0.000 1.079 239 K CA -1.006 55.160 56.287 -0.202 0.000 0.818 239 K CB 0.938 33.333 32.500 -0.176 0.000 0.967 239 K HN -0.154 nan 8.250 nan 0.000 0.594 240 P HA -0.158 nan 4.420 nan 0.000 0.220 240 P C 0.967 178.211 177.300 -0.094 0.000 1.148 240 P CA 0.871 63.888 63.100 -0.139 0.000 0.803 240 P CB 0.231 31.855 31.700 -0.127 0.000 0.782 241 L N -0.467 120.704 121.223 -0.087 0.000 2.456 241 L HA -0.081 4.259 4.340 -0.000 0.000 0.224 241 L C 1.654 178.489 176.870 -0.059 0.000 1.148 241 L CA 1.010 55.812 54.840 -0.065 0.000 0.825 241 L CB -0.863 41.160 42.059 -0.060 0.000 0.937 241 L HN -0.092 nan 8.230 nan 0.000 0.450 242 D N 0.215 120.573 120.400 -0.070 0.000 2.347 242 D HA 0.082 4.722 4.640 -0.000 0.000 0.215 242 D C 0.802 177.073 176.300 -0.048 0.000 0.976 242 D CA 0.599 54.563 54.000 -0.059 0.000 0.884 242 D CB 0.117 40.876 40.800 -0.069 0.000 0.915 242 D HN 0.231 nan 8.370 nan 0.000 0.526 243 I N 1.824 122.364 120.570 -0.049 0.000 2.436 243 I HA -0.004 4.166 4.170 -0.000 0.000 0.289 243 I C 1.123 177.225 176.117 -0.024 0.000 1.083 243 I CA -0.345 60.935 61.300 -0.034 0.000 1.372 243 I CB 0.869 38.848 38.000 -0.034 0.000 1.408 243 I HN -0.204 nan 8.210 nan 0.000 0.516 244 N N 4.090 122.779 118.700 -0.018 0.000 2.309 244 N HA -0.095 4.645 4.740 -0.000 0.000 0.182 244 N C 0.157 175.660 175.510 -0.012 0.000 1.018 244 N CA 0.807 53.848 53.050 -0.015 0.000 0.876 244 N CB -0.094 38.385 38.487 -0.014 0.000 0.972 244 N HN 0.534 nan 8.380 nan 0.000 0.434 245 E N 0.926 121.121 120.200 -0.008 0.000 2.166 245 E HA 0.101 4.450 4.350 -0.000 0.000 0.279 245 E C 0.782 177.379 176.600 -0.005 0.000 1.095 245 E CA 0.001 56.397 56.400 -0.006 0.000 0.888 245 E CB 0.782 30.482 29.700 -0.001 0.000 1.041 245 E HN 0.179 nan 8.360 nan 0.000 0.414 246 K N 1.158 121.554 120.400 -0.006 0.000 2.032 246 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 246 K C 1.942 178.542 176.600 0.000 0.000 1.048 246 K CA 1.881 58.164 56.287 -0.005 0.000 0.927 246 K CB -0.279 32.217 32.500 -0.006 0.000 0.712 246 K HN 0.574 nan 8.250 nan 0.000 0.441 247 T N 0.175 114.730 114.554 0.002 0.000 2.867 247 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 247 T C 1.874 176.585 174.700 0.018 0.000 1.057 247 T CA 0.719 62.825 62.100 0.009 0.000 1.136 247 T CB -0.171 68.700 68.868 0.005 0.000 0.874 247 T HN 0.042 nan 8.240 nan 0.000 0.466 248 L N 1.221 122.453 121.223 0.016 0.000 2.044 248 L HA 0.107 4.447 4.340 -0.000 0.000 0.205 248 L C 2.840 179.725 176.870 0.025 0.000 1.075 248 L CA 1.874 56.733 54.840 0.032 0.000 0.747 248 L CB -1.160 40.921 42.059 0.036 0.000 0.903 248 L HN 0.381 nan 8.230 nan 0.000 0.435 249 Q N -0.834 118.969 119.800 0.005 0.000 2.112 249 Q HA -0.326 4.014 4.340 -0.000 0.000 0.206 249 Q C 2.298 178.295 176.000 -0.005 0.000 0.987 249 Q CA 2.466 58.262 55.803 -0.012 0.000 0.858 249 Q CB -0.206 28.520 28.738 -0.019 0.000 0.905 249 Q HN 0.721 nan 8.270 nan 0.000 0.420 250 Q N -1.074 118.730 119.800 0.008 0.000 2.123 250 Q HA -0.088 4.252 4.340 -0.000 0.000 0.199 250 Q C 1.950 177.975 176.000 0.042 0.000 0.966 250 Q CA 1.173 56.987 55.803 0.018 0.000 0.845 250 Q CB -0.238 28.511 28.738 0.018 0.000 0.907 250 Q HN 0.526 nan 8.270 nan 0.000 0.439 251 G N 1.221 110.053 108.800 0.054 0.000 2.446 251 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 251 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 251 G C 1.366 176.333 174.900 0.111 0.000 1.168 251 G CA 1.007 46.161 45.100 0.089 0.000 0.771 251 G HN 0.360 nan 8.290 nan 0.000 0.551 252 I N 0.281 120.895 120.570 0.073 0.000 2.163 252 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 252 I C 3.095 179.237 176.117 0.043 0.000 1.085 252 I CA 1.357 62.685 61.300 0.047 0.000 1.347 252 I CB -0.246 37.718 38.000 -0.061 0.000 1.044 252 I HN 0.240 nan 8.210 nan 0.000 0.408 253 Q N 0.252 120.063 119.800 0.018 0.000 2.050 253 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 253 Q C 2.405 178.435 176.000 0.050 0.000 0.980 253 Q CA 1.458 57.266 55.803 0.009 0.000 0.840 253 Q CB -0.201 28.532 28.738 -0.008 0.000 0.898 253 Q HN 0.527 nan 8.270 nan 0.000 0.424 254 L N 0.006 121.283 121.223 0.090 0.000 2.131 254 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 254 L C 2.364 179.388 176.870 0.257 0.000 1.092 254 L CA 0.801 55.731 54.840 0.152 0.000 0.759 254 L CB -0.453 41.702 42.059 0.160 0.000 0.903 254 L HN 0.207 nan 8.230 nan 0.000 0.435 255 A N -0.951 122.019 122.820 0.249 0.000 2.119 255 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 255 A C 2.031 179.842 177.584 0.379 0.000 1.153 255 A CA 1.032 53.273 52.037 0.340 0.000 0.692 255 A CB -0.184 19.051 19.000 0.393 0.000 0.799 255 A HN 0.495 nan 8.150 nan 0.000 0.458 256 Q N -0.076 119.860 119.800 0.227 0.000 2.282 256 Q HA 0.181 4.521 4.340 -0.000 0.000 0.206 256 Q C -0.074 175.962 176.000 0.061 0.000 0.878 256 Q CA -0.297 55.585 55.803 0.131 0.000 0.944 256 Q CB 0.459 29.194 28.738 -0.006 0.000 1.100 256 Q HN 0.503 nan 8.270 nan 0.000 0.509 257 S N 1.132 116.854 115.700 0.037 0.000 2.576 257 S HA 0.177 4.647 4.470 -0.000 0.000 0.272 257 S C 0.119 174.580 174.600 -0.233 0.000 1.352 257 S CA 0.023 58.103 58.200 -0.200 0.000 1.021 257 S CB 0.517 63.461 63.200 -0.427 0.000 0.887 257 S HN 0.226 nan 8.310 nan 0.000 0.542 258 R N 1.294 121.593 120.500 -0.334 0.000 2.239 258 R HA 0.274 4.614 4.340 -0.000 0.000 0.332 258 R C -0.478 175.674 176.300 -0.247 0.000 0.988 258 R CA -0.191 55.826 56.100 -0.137 0.000 0.859 258 R CB 0.511 30.695 30.300 -0.194 0.000 1.148 258 R HN 0.691 nan 8.270 nan 0.000 0.482 259 Y N 0.505 120.816 120.300 0.019 0.000 2.479 259 Y HA 0.165 4.715 4.550 -0.000 0.000 0.283 259 Y C 0.143 175.769 175.900 -0.458 0.000 1.109 259 Y CA 0.242 58.200 58.100 -0.236 0.000 1.239 259 Y CB 0.602 38.940 38.460 -0.204 0.000 1.108 259 Y HN 0.446 nan 8.280 nan 0.000 0.548 260 W N -0.036 121.437 121.300 0.289 0.000 3.127 260 W HA 0.558 5.218 4.660 0.000 0.000 0.330 260 W C -0.875 175.762 176.519 0.196 0.000 1.187 260 W CA -0.983 56.486 57.345 0.207 0.000 1.198 260 W CB 1.150 30.711 29.460 0.168 0.000 1.408 260 W HN -0.450 nan 8.180 nan 0.000 0.529 261 Q N 1.456 121.461 119.800 0.342 0.000 2.333 261 Q HA 0.618 4.958 4.340 -0.000 0.000 0.267 261 Q C -1.174 174.856 176.000 0.050 0.000 1.012 261 Q CA -0.400 55.445 55.803 0.070 0.000 0.824 261 Q CB 2.282 30.998 28.738 -0.035 0.000 1.290 261 Q HN 0.442 nan 8.270 nan 0.000 0.449 262 T N 2.737 117.271 114.554 -0.035 0.000 2.890 262 T HA 0.612 4.962 4.350 -0.000 0.000 0.295 262 T C 0.352 175.001 174.700 -0.085 0.000 0.993 262 T CA 0.760 62.840 62.100 -0.033 0.000 0.979 262 T CB 0.738 69.605 68.868 -0.001 0.000 0.967 262 T HN 0.992 nan 8.240 nan 0.000 0.441 263 G N 5.404 114.156 108.800 -0.081 0.000 2.591 263 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.298 263 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.298 263 G C 0.317 175.134 174.900 -0.138 0.000 1.195 263 G CA 0.772 45.820 45.100 -0.086 0.000 0.989 263 G HN 0.937 nan 8.290 nan 0.000 0.551 264 D N 0.368 120.692 120.400 -0.126 0.000 2.368 264 D HA 0.383 5.023 4.640 -0.000 0.000 0.218 264 D C 1.040 177.226 176.300 -0.191 0.000 1.112 264 D CA 0.750 54.664 54.000 -0.144 0.000 0.834 264 D CB -0.146 40.612 40.800 -0.071 0.000 0.953 264 D HN 0.891 nan 8.370 nan 0.000 0.505 265 M N -0.656 118.807 119.600 -0.228 0.000 2.528 265 M HA 0.621 5.101 4.480 -0.000 0.000 0.321 265 M C -1.805 174.342 176.300 -0.256 0.000 1.153 265 M CA -0.721 54.516 55.300 -0.104 0.000 0.951 265 M CB 2.012 34.660 32.600 0.081 0.000 1.705 265 M HN -0.184 nan 8.290 nan 0.000 0.451 266 Y N 0.718 121.135 120.300 0.195 0.000 2.376 266 Y HA 0.552 5.102 4.550 -0.000 0.000 0.340 266 Y C -0.482 175.582 175.900 0.273 0.000 0.965 266 Y CA -0.663 57.565 58.100 0.212 0.000 1.078 266 Y CB 1.776 40.330 38.460 0.156 0.000 1.193 266 Y HN 0.681 nan 8.280 nan 0.000 0.452 267 Q N 2.110 122.186 119.800 0.461 0.000 2.295 267 Q HA 0.496 4.836 4.340 -0.000 0.000 0.259 267 Q C 0.106 176.396 176.000 0.483 0.000 0.976 267 Q CA -0.081 55.988 55.803 0.444 0.000 0.923 267 Q CB 1.027 30.033 28.738 0.447 0.000 1.185 267 Q HN 0.903 nan 8.270 nan 0.000 0.410 268 G N 2.803 111.859 108.800 0.427 0.000 2.641 268 G HA2 0.481 4.441 3.960 -0.000 0.000 0.239 268 G HA3 0.481 4.441 3.960 -0.000 0.000 0.239 268 G C -0.908 174.159 174.900 0.278 0.000 1.402 268 G CA -0.825 44.549 45.100 0.457 0.000 1.046 268 G HN 0.604 nan 8.290 nan 0.000 0.565 269 L N 1.079 122.445 121.223 0.238 0.000 2.270 269 L HA 0.451 4.791 4.340 -0.000 0.000 0.286 269 L C 1.411 178.341 176.870 0.101 0.000 1.059 269 L CA 0.459 55.315 54.840 0.027 0.000 0.839 269 L CB 0.492 42.549 42.059 -0.004 0.000 1.221 269 L HN 1.030 nan 8.230 nan 0.000 0.431 270 G N 2.055 110.875 108.800 0.033 0.000 4.039 270 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.220 270 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.220 270 G C 0.029 174.970 174.900 0.068 0.000 1.391 270 G CA -0.148 44.969 45.100 0.027 0.000 0.920 270 G HN 0.519 nan 8.290 nan 0.000 0.599 271 W N 2.392 123.822 121.300 0.217 0.000 2.170 271 W HA 0.558 5.218 4.660 -0.000 0.000 0.342 271 W C 0.819 177.479 176.519 0.234 0.000 1.294 271 W CA -0.093 57.375 57.345 0.206 0.000 1.246 271 W CB 0.387 29.946 29.460 0.165 0.000 1.156 271 W HN 0.327 nan 8.180 nan 0.000 0.572 272 E N 1.755 122.285 120.200 0.551 0.000 2.212 272 E HA 0.533 4.883 4.350 -0.000 0.000 0.268 272 E C -0.828 176.076 176.600 0.506 0.000 0.902 272 E CA -1.117 55.580 56.400 0.493 0.000 0.779 272 E CB 1.623 31.592 29.700 0.448 0.000 1.172 272 E HN 0.163 nan 8.360 nan 0.000 0.409 273 M N 2.154 122.007 119.600 0.422 0.000 2.530 273 M HA 0.473 4.952 4.480 -0.000 0.000 0.307 273 M C -1.436 175.107 176.300 0.405 0.000 1.161 273 M CA -0.391 55.106 55.300 0.328 0.000 0.903 273 M CB 1.640 34.370 32.600 0.216 0.000 1.711 273 M HN 0.302 nan 8.290 nan 0.000 0.451 274 L N 0.620 122.050 121.223 0.345 0.000 2.371 274 L HA 0.547 4.887 4.340 -0.000 0.000 0.262 274 L C -0.695 176.359 176.870 0.308 0.000 1.006 274 L CA -0.714 54.329 54.840 0.338 0.000 0.818 274 L CB 1.819 43.995 42.059 0.194 0.000 1.354 274 L HN 0.544 nan 8.230 nan 0.000 0.415 275 D N 1.001 121.572 120.400 0.285 0.000 2.455 275 D HA -0.053 4.587 4.640 -0.000 0.000 0.241 275 D C -0.828 175.615 176.300 0.237 0.000 1.138 275 D CA 0.243 54.369 54.000 0.210 0.000 0.877 275 D CB 0.984 41.876 40.800 0.153 0.000 1.187 275 D HN 0.353 nan 8.370 nan 0.000 0.451 276 W N 4.701 126.064 121.300 0.106 0.000 2.417 276 W HA 0.272 4.931 4.660 -0.000 0.000 0.317 276 W C -2.286 174.286 176.519 0.088 0.000 1.121 276 W CA -1.778 55.643 57.345 0.128 0.000 1.208 276 W CB 1.027 30.576 29.460 0.148 0.000 1.253 276 W HN 0.236 nan 8.180 nan 0.000 0.533 277 P HA 0.159 nan 4.420 nan 0.000 0.274 277 P C -0.467 176.489 177.300 -0.573 0.000 1.231 277 P CA -0.108 62.115 63.100 -1.462 0.000 0.790 277 P CB 1.441 32.434 31.700 -1.178 0.000 0.951 278 V N -0.980 118.658 119.914 -0.461 0.000 2.713 278 V HA 0.484 4.604 4.120 -0.000 0.000 0.307 278 V C 0.180 176.066 176.094 -0.347 0.000 1.052 278 V CA -1.109 61.025 62.300 -0.276 0.000 0.967 278 V CB 1.188 32.838 31.823 -0.288 0.000 1.019 278 V HN 0.531 nan 8.190 nan 0.000 0.459 279 N N 4.586 123.094 118.700 -0.320 0.000 2.420 279 N HA 0.330 5.070 4.740 -0.000 0.000 0.262 279 N C -1.174 174.006 175.510 -0.550 0.000 1.144 279 N CA -1.889 50.938 53.050 -0.372 0.000 0.952 279 N CB 1.156 39.489 38.487 -0.257 0.000 1.081 279 N HN 0.541 nan 8.380 nan 0.000 0.480 280 P HA -0.119 nan 4.420 nan 0.000 0.216 280 P C 0.263 177.186 177.300 -0.629 0.000 1.153 280 P CA 1.127 63.531 63.100 -1.160 0.000 0.848 280 P CB 0.363 30.861 31.700 -2.004 0.000 0.787 281 D N -0.373 119.751 120.400 -0.460 0.000 2.182 281 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 281 D C 2.178 178.344 176.300 -0.223 0.000 0.986 281 D CA 1.119 54.950 54.000 -0.280 0.000 0.847 281 D CB -0.633 40.038 40.800 -0.214 0.000 0.942 281 D HN 0.168 nan 8.370 nan 0.000 0.467 282 S N 0.468 116.024 115.700 -0.239 0.000 2.345 282 S HA -0.116 4.354 4.470 -0.000 0.000 0.220 282 S C 2.182 176.694 174.600 -0.147 0.000 1.031 282 S CA 1.112 59.208 58.200 -0.173 0.000 0.996 282 S CB -0.231 62.868 63.200 -0.169 0.000 0.882 282 S HN 0.408 nan 8.310 nan 0.000 0.445 283 I N -0.942 119.501 120.570 -0.212 0.000 2.439 283 I HA -0.013 4.157 4.170 -0.000 0.000 0.251 283 I C 2.126 178.205 176.117 -0.063 0.000 1.139 283 I CA 1.230 62.460 61.300 -0.118 0.000 1.438 283 I CB -0.522 37.317 38.000 -0.268 0.000 1.085 283 I HN 0.246 nan 8.210 nan 0.000 0.427 284 I N 2.039 122.519 120.570 -0.149 0.000 2.133 284 I HA -0.230 3.940 4.170 -0.000 0.000 0.238 284 I C 2.357 178.426 176.117 -0.080 0.000 1.074 284 I CA 1.518 62.753 61.300 -0.109 0.000 1.342 284 I CB -0.573 37.343 38.000 -0.140 0.000 1.053 284 I HN 0.285 nan 8.210 nan 0.000 0.404 285 N N 0.923 119.569 118.700 -0.091 0.000 2.216 285 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 285 N C 1.871 177.349 175.510 -0.053 0.000 1.017 285 N CA 1.442 54.450 53.050 -0.070 0.000 0.861 285 N CB -0.640 37.802 38.487 -0.075 0.000 0.986 285 N HN 0.409 nan 8.380 nan 0.000 0.428 286 G N 0.600 109.372 108.800 -0.046 0.000 2.470 286 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 286 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 286 G C 1.580 176.472 174.900 -0.013 0.000 1.121 286 G CA 1.175 46.262 45.100 -0.022 0.000 0.766 286 G HN 0.491 nan 8.290 nan 0.000 0.553 287 S N -0.272 115.422 115.700 -0.010 0.000 2.522 287 S HA 0.015 4.485 4.470 -0.000 0.000 0.227 287 S C 0.803 175.361 174.600 -0.069 0.000 0.986 287 S CA -0.003 58.178 58.200 -0.032 0.000 0.929 287 S CB 0.008 63.192 63.200 -0.028 0.000 0.769 287 S HN 0.295 nan 8.310 nan 0.000 0.529 288 D N 2.242 122.606 120.400 -0.060 0.000 2.493 288 D HA 0.047 4.687 4.640 -0.000 0.000 0.240 288 D C 0.439 176.699 176.300 -0.066 0.000 1.142 288 D CA 0.106 54.071 54.000 -0.059 0.000 0.872 288 D CB 0.490 41.262 40.800 -0.047 0.000 1.173 288 D HN 0.089 nan 8.370 nan 0.000 0.467 289 N N 3.140 121.800 118.700 -0.067 0.000 2.364 289 N HA -0.181 4.559 4.740 -0.000 0.000 0.183 289 N C 1.618 177.098 175.510 -0.049 0.000 1.022 289 N CA 0.723 53.730 53.050 -0.072 0.000 0.883 289 N CB -0.100 38.352 38.487 -0.059 0.000 0.965 289 N HN 0.643 nan 8.380 nan 0.000 0.438 290 K N 0.517 120.896 120.400 -0.035 0.000 2.209 290 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 290 K C 1.697 178.281 176.600 -0.026 0.000 1.048 290 K CA 1.024 57.297 56.287 -0.023 0.000 0.940 290 K CB -0.055 32.434 32.500 -0.019 0.000 0.729 290 K HN 0.177 nan 8.250 nan 0.000 0.451 291 I N 0.945 121.493 120.570 -0.037 0.000 2.729 291 I HA -0.008 4.162 4.170 -0.000 0.000 0.256 291 I C 2.581 178.668 176.117 -0.050 0.000 1.115 291 I CA 0.633 61.910 61.300 -0.038 0.000 1.446 291 I CB -0.271 37.706 38.000 -0.038 0.000 1.176 291 I HN 0.219 nan 8.210 nan 0.000 0.446 292 A N 1.107 123.880 122.820 -0.079 0.000 2.015 292 A HA -0.040 4.279 4.320 -0.000 0.000 0.219 292 A C 2.114 179.603 177.584 -0.158 0.000 1.163 292 A CA 1.186 53.143 52.037 -0.133 0.000 0.646 292 A CB -0.547 18.334 19.000 -0.198 0.000 0.806 292 A HN 0.414 nan 8.150 nan 0.000 0.448 293 L N -0.908 120.254 121.223 -0.101 0.000 2.592 293 L HA 0.244 4.584 4.340 -0.000 0.000 0.227 293 L C 1.156 178.039 176.870 0.022 0.000 1.127 293 L CA -0.063 54.759 54.840 -0.031 0.000 0.884 293 L CB -0.355 41.697 42.059 -0.010 0.000 1.065 293 L HN 0.347 nan 8.230 nan 0.000 0.457 294 A N 0.896 123.717 122.820 0.003 0.000 2.354 294 A HA 0.636 4.956 4.320 -0.000 0.000 0.269 294 A C 0.525 178.113 177.584 0.007 0.000 1.109 294 A CA -0.230 51.817 52.037 0.017 0.000 0.800 294 A CB 0.434 19.433 19.000 -0.002 0.000 1.045 294 A HN 0.209 nan 8.150 nan 0.000 0.489 295 A N 2.768 125.596 122.820 0.012 0.000 2.511 295 A HA 0.528 4.848 4.320 -0.000 0.000 0.242 295 A C 0.439 177.925 177.584 -0.164 0.000 1.069 295 A CA 0.102 52.076 52.037 -0.105 0.000 0.763 295 A CB 0.084 18.951 19.000 -0.221 0.000 1.001 295 A HN 0.752 nan 8.150 nan 0.000 0.498 296 R N 2.219 122.600 120.500 -0.198 0.000 2.621 296 R HA 0.435 4.775 4.340 -0.000 0.000 0.284 296 R C -3.152 173.023 176.300 -0.208 0.000 0.998 296 R CA -2.038 53.964 56.100 -0.163 0.000 0.895 296 R CB 2.027 32.276 30.300 -0.084 0.000 1.195 296 R HN 0.505 nan 8.270 nan 0.000 0.450 297 P HA 0.052 nan 4.420 nan 0.000 0.271 297 P C -0.113 177.141 177.300 -0.077 0.000 1.216 297 P CA -0.182 62.823 63.100 -0.159 0.000 0.771 297 P CB 0.713 32.344 31.700 -0.114 0.000 0.864 298 V N 0.519 120.403 119.914 -0.050 0.000 2.581 298 V HA 0.515 4.635 4.120 -0.000 0.000 0.303 298 V C 0.066 176.302 176.094 0.238 0.000 1.041 298 V CA -1.139 61.218 62.300 0.095 0.000 0.907 298 V CB 1.850 33.703 31.823 0.050 0.000 0.994 298 V HN 0.389 nan 8.190 nan 0.000 0.442 299 K N 3.185 123.746 120.400 0.268 0.000 2.248 299 K HA 0.698 5.018 4.320 -0.000 0.000 0.281 299 K C 0.228 177.022 176.600 0.324 0.000 1.054 299 K CA -0.250 56.183 56.287 0.243 0.000 0.903 299 K CB 1.157 33.740 32.500 0.139 0.000 1.077 299 K HN 1.137 nan 8.250 nan 0.000 0.474 300 A N 5.193 128.161 122.820 0.247 0.000 2.511 300 A HA 0.210 4.530 4.320 -0.000 0.000 0.242 300 A C -0.079 177.449 177.584 -0.093 0.000 1.069 300 A CA -0.086 51.879 52.037 -0.119 0.000 0.763 300 A CB -0.094 18.808 19.000 -0.163 0.000 1.001 300 A HN 0.817 nan 8.150 nan 0.000 0.498 301 I N 2.947 123.401 120.570 -0.193 0.000 2.337 301 I HA 0.242 4.412 4.170 -0.000 0.000 0.285 301 I C -0.181 175.839 176.117 -0.161 0.000 1.041 301 I CA -0.030 61.204 61.300 -0.111 0.000 1.199 301 I CB 1.297 39.255 38.000 -0.070 0.000 1.370 301 I HN 0.651 nan 8.210 nan 0.000 0.470 302 T N 4.039 118.529 114.554 -0.106 0.000 2.864 302 T HA 0.528 4.878 4.350 -0.000 0.000 0.310 302 T C -1.779 172.881 174.700 -0.066 0.000 1.040 302 T CA -1.319 60.724 62.100 -0.094 0.000 0.977 302 T CB 0.886 69.712 68.868 -0.071 0.000 0.976 302 T HN 0.329 nan 8.240 nan 0.000 0.459 303 P HA 0.504 nan 4.420 nan 0.000 0.278 303 P C -3.001 174.211 177.300 -0.148 0.000 1.258 303 P CA -1.988 61.053 63.100 -0.098 0.000 0.811 303 P CB -0.123 31.532 31.700 -0.075 0.000 1.063 304 P HA 0.059 nan 4.420 nan 0.000 0.266 304 P C -0.280 176.848 177.300 -0.285 0.000 1.195 304 P CA 0.388 63.279 63.100 -0.349 0.000 0.768 304 P CB -0.013 31.290 31.700 -0.662 0.000 0.838 305 T N 5.337 119.729 114.554 -0.271 0.000 2.794 305 T HA 0.255 4.605 4.350 -0.000 0.000 0.296 305 T C -2.128 172.433 174.700 -0.232 0.000 0.949 305 T CA -1.080 60.890 62.100 -0.216 0.000 1.101 305 T CB -0.120 68.620 68.868 -0.215 0.000 0.905 305 T HN 0.274 nan 8.240 nan 0.000 0.516 306 P HA 0.164 nan 4.420 nan 0.000 0.268 306 P C -0.530 176.693 177.300 -0.128 0.000 1.208 306 P CA -0.415 62.602 63.100 -0.138 0.000 0.777 306 P CB 0.294 31.935 31.700 -0.098 0.000 0.875 307 A N 2.638 125.398 122.820 -0.101 0.000 2.580 307 A HA 0.116 4.436 4.320 -0.000 0.000 0.244 307 A C 0.095 177.627 177.584 -0.087 0.000 1.045 307 A CA 0.220 52.205 52.037 -0.087 0.000 0.761 307 A CB -0.655 18.307 19.000 -0.062 0.000 0.962 307 A HN 0.371 nan 8.150 nan 0.000 0.512 308 V N 5.544 125.402 119.914 -0.093 0.000 2.383 308 V HA 0.175 4.295 4.120 -0.000 0.000 0.275 308 V C 1.496 177.559 176.094 -0.053 0.000 1.036 308 V CA -0.357 61.897 62.300 -0.076 0.000 0.889 308 V CB 1.022 32.790 31.823 -0.093 0.000 0.985 308 V HN 1.066 nan 8.190 nan 0.000 0.459 309 R N 3.349 123.825 120.500 -0.041 0.000 2.096 309 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 309 R C 1.333 177.626 176.300 -0.013 0.000 1.127 309 R CA 1.338 57.416 56.100 -0.037 0.000 0.968 309 R CB -0.032 30.246 30.300 -0.037 0.000 0.861 309 R HN 0.774 nan 8.270 nan 0.000 0.440 310 A N 1.295 124.134 122.820 0.032 0.000 3.118 310 A HA 0.251 4.571 4.320 -0.000 0.000 0.256 310 A C -0.609 177.086 177.584 0.184 0.000 1.667 310 A CA 0.000 52.113 52.037 0.127 0.000 1.338 310 A CB 0.087 19.181 19.000 0.158 0.000 1.127 310 A HN 0.049 nan 8.150 nan 0.000 0.634 311 S N 0.281 116.056 115.700 0.124 0.000 2.570 311 S HA 0.497 4.967 4.470 -0.000 0.000 0.286 311 S C -0.897 173.791 174.600 0.148 0.000 1.099 311 S CA -0.610 57.681 58.200 0.151 0.000 0.913 311 S CB 1.170 64.379 63.200 0.015 0.000 1.085 311 S HN 0.664 nan 8.310 nan 0.000 0.480 312 W N 3.858 125.198 121.300 0.067 0.000 2.342 312 W HA 0.526 5.186 4.660 -0.000 0.000 0.310 312 W C -1.739 174.655 176.519 -0.210 0.000 1.128 312 W CA -0.454 56.865 57.345 -0.044 0.000 1.322 312 W CB 0.475 30.009 29.460 0.123 0.000 1.251 312 W HN 0.343 nan 8.180 nan 0.000 0.439 313 V N 7.573 127.046 119.914 -0.735 0.000 2.459 313 V HA 0.419 4.539 4.120 -0.000 0.000 0.295 313 V C -0.115 175.596 176.094 -0.638 0.000 1.029 313 V CA -0.396 61.452 62.300 -0.753 0.000 0.874 313 V CB 1.319 32.188 31.823 -1.589 0.000 0.985 313 V HN 0.650 nan 8.190 nan 0.000 0.438 314 H N 2.366 121.387 119.070 -0.082 0.000 3.014 314 H HA 0.893 5.449 4.556 -0.000 0.000 0.337 314 H C -1.318 174.254 175.328 0.407 0.000 1.320 314 H CA -1.261 54.856 56.048 0.116 0.000 1.128 314 H CB 2.220 32.081 29.762 0.165 0.000 1.862 314 H HN 0.439 nan 8.280 nan 0.000 0.536 315 K N 1.367 121.874 120.400 0.179 0.000 2.571 315 K HA 0.263 4.583 4.320 -0.000 0.000 0.252 315 K C -1.305 175.410 176.600 0.192 0.000 0.956 315 K CA -0.124 56.215 56.287 0.086 0.000 0.822 315 K CB 2.084 34.598 32.500 0.023 0.000 1.286 315 K HN 0.906 nan 8.250 nan 0.000 0.439 316 T N 0.006 114.691 114.554 0.218 0.000 2.922 316 T HA 0.850 5.200 4.350 -0.000 0.000 0.285 316 T C 0.315 175.111 174.700 0.161 0.000 1.005 316 T CA -0.472 61.790 62.100 0.270 0.000 1.061 316 T CB 1.550 70.485 68.868 0.112 0.000 1.007 316 T HN 0.624 nan 8.240 nan 0.000 0.502 317 G N -0.311 108.588 108.800 0.165 0.000 2.746 317 G HA2 0.727 4.686 3.960 -0.000 0.000 0.297 317 G HA3 0.727 4.686 3.960 -0.000 0.000 0.297 317 G C -1.443 173.543 174.900 0.143 0.000 1.426 317 G CA -0.578 44.616 45.100 0.156 0.000 0.989 317 G HN 1.101 nan 8.290 nan 0.000 0.520 318 A N 0.604 123.504 122.820 0.133 0.000 2.556 318 A HA 0.997 5.317 4.320 -0.000 0.000 0.294 318 A C 0.123 177.791 177.584 0.140 0.000 1.091 318 A CA 0.032 52.153 52.037 0.140 0.000 0.704 318 A CB 1.859 20.907 19.000 0.081 0.000 1.300 318 A HN 1.830 nan 8.150 nan 0.000 0.406 319 T N -2.413 112.259 114.554 0.197 0.000 2.773 319 T HA 0.609 4.959 4.350 -0.000 0.000 0.278 319 T C 1.315 176.120 174.700 0.175 0.000 1.011 319 T CA 0.172 62.366 62.100 0.158 0.000 1.014 319 T CB 0.953 69.957 68.868 0.227 0.000 1.293 319 T HN 1.479 nan 8.240 nan 0.000 0.554 320 G N -0.286 108.600 108.800 0.143 0.000 2.469 320 G HA2 0.087 4.047 3.960 -0.000 0.000 0.220 320 G HA3 0.087 4.047 3.960 -0.000 0.000 0.220 320 G C 1.237 176.234 174.900 0.162 0.000 1.136 320 G CA 0.760 45.936 45.100 0.126 0.000 0.759 320 G HN 1.141 nan 8.290 nan 0.000 0.562 321 G N -1.433 107.521 108.800 0.257 0.000 3.044 321 G HA2 0.445 4.405 3.960 -0.000 0.000 0.223 321 G HA3 0.445 4.405 3.960 -0.000 0.000 0.223 321 G C -0.202 174.723 174.900 0.042 0.000 1.123 321 G CA -0.402 44.790 45.100 0.154 0.000 0.765 321 G HN 0.214 nan 8.290 nan 0.000 0.546 322 F N -0.432 119.649 119.950 0.218 0.000 2.588 322 F HA 0.696 5.223 4.527 -0.000 0.000 0.314 322 F C 0.323 176.253 175.800 0.216 0.000 1.069 322 F CA -1.209 56.954 58.000 0.271 0.000 0.931 322 F CB 2.413 41.595 39.000 0.304 0.000 1.260 322 F HN -0.009 nan 8.300 nan 0.000 0.465 323 G N 0.704 109.762 108.800 0.430 0.000 2.683 323 G HA2 0.556 4.516 3.960 -0.000 0.000 0.299 323 G HA3 0.556 4.516 3.960 -0.000 0.000 0.299 323 G C -1.491 173.567 174.900 0.263 0.000 1.432 323 G CA -0.714 44.522 45.100 0.227 0.000 0.978 323 G HN 0.736 nan 8.290 nan 0.000 0.513 324 S N 1.091 116.919 115.700 0.213 0.000 2.570 324 S HA 0.834 5.304 4.470 -0.000 0.000 0.286 324 S C -1.505 173.276 174.600 0.301 0.000 1.099 324 S CA -0.953 57.395 58.200 0.247 0.000 0.913 324 S CB 2.428 65.772 63.200 0.240 0.000 1.085 324 S HN 0.898 nan 8.310 nan 0.000 0.480 325 Y N 0.667 121.065 120.300 0.162 0.000 2.513 325 Y HA 0.671 5.221 4.550 -0.000 0.000 0.340 325 Y C -1.799 174.247 175.900 0.244 0.000 1.055 325 Y CA -0.933 57.280 58.100 0.189 0.000 1.020 325 Y CB 1.786 40.357 38.460 0.186 0.000 1.301 325 Y HN 0.776 nan 8.280 nan 0.000 0.453 326 V N 4.305 124.059 119.914 -0.267 0.000 2.709 326 V HA 0.965 5.085 4.120 -0.000 0.000 0.308 326 V C -0.973 174.888 176.094 -0.387 0.000 1.062 326 V CA -0.327 61.904 62.300 -0.116 0.000 0.901 326 V CB 1.581 33.581 31.823 0.295 0.000 1.003 326 V HN 0.986 nan 8.190 nan 0.000 0.425 327 A N 4.745 127.395 122.820 -0.283 0.000 2.517 327 A HA 0.995 5.315 4.320 -0.000 0.000 0.297 327 A C -1.305 176.037 177.584 -0.404 0.000 1.050 327 A CA -0.474 51.269 52.037 -0.490 0.000 0.694 327 A CB 1.620 20.262 19.000 -0.595 0.000 1.277 327 A HN 1.409 nan 8.150 nan 0.000 0.400 328 F N -0.400 119.116 119.950 -0.723 0.000 2.686 328 F HA 0.862 5.388 4.527 -0.000 0.000 0.311 328 F C -1.377 174.064 175.800 -0.598 0.000 1.128 328 F CA -1.363 56.274 58.000 -0.605 0.000 0.946 328 F CB 1.336 40.054 39.000 -0.469 0.000 1.336 328 F HN 0.319 nan 8.300 nan 0.000 0.457 329 I N 2.032 122.438 120.570 -0.273 0.000 2.493 329 I HA 0.311 4.481 4.170 -0.000 0.000 0.279 329 I C -2.226 173.790 176.117 -0.168 0.000 1.045 329 I CA -1.830 59.278 61.300 -0.321 0.000 1.106 329 I CB 1.832 39.492 38.000 -0.566 0.000 1.216 329 I HN 0.358 nan 8.210 nan 0.000 0.459 330 P HA -0.195 nan 4.420 nan 0.000 0.215 330 P C 1.474 178.708 177.300 -0.111 0.000 1.157 330 P CA 1.136 64.194 63.100 -0.070 0.000 0.868 330 P CB 0.416 32.090 31.700 -0.043 0.000 0.788 331 E N 0.236 120.372 120.200 -0.106 0.000 2.147 331 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 331 E C 1.374 177.900 176.600 -0.123 0.000 1.005 331 E CA 1.648 57.995 56.400 -0.089 0.000 0.810 331 E CB -0.533 29.144 29.700 -0.039 0.000 0.736 331 E HN 0.034 nan 8.360 nan 0.000 0.460 332 K N 0.260 120.544 120.400 -0.194 0.000 2.374 332 K HA 0.055 4.375 4.320 -0.000 0.000 0.196 332 K C -0.232 176.247 176.600 -0.202 0.000 1.023 332 K CA 0.390 56.557 56.287 -0.200 0.000 1.103 332 K CB 0.583 32.914 32.500 -0.281 0.000 0.848 332 K HN 0.109 nan 8.250 nan 0.000 0.528 333 E N 0.487 120.577 120.200 -0.184 0.000 2.476 333 E HA -0.236 4.114 4.350 -0.000 0.000 0.251 333 E C -0.474 176.023 176.600 -0.172 0.000 1.130 333 E CA 0.576 56.866 56.400 -0.184 0.000 0.736 333 E CB -2.099 27.480 29.700 -0.201 0.000 1.298 333 E HN 0.308 nan 8.360 nan 0.000 0.400 334 L N -0.045 121.089 121.223 -0.149 0.000 2.362 334 L HA 0.722 5.061 4.340 -0.000 0.000 0.275 334 L C 0.656 177.476 176.870 -0.085 0.000 0.998 334 L CA -0.333 54.455 54.840 -0.088 0.000 0.820 334 L CB 1.913 43.906 42.059 -0.110 0.000 1.270 334 L HN 0.178 nan 8.230 nan 0.000 0.415 335 G N 3.458 112.235 108.800 -0.038 0.000 2.708 335 G HA2 0.724 4.684 3.960 -0.000 0.000 0.289 335 G HA3 0.724 4.684 3.960 -0.000 0.000 0.289 335 G C -2.083 172.830 174.900 0.021 0.000 1.416 335 G CA -0.423 44.660 45.100 -0.029 0.000 0.829 335 G HN 0.509 nan 8.290 nan 0.000 0.480 336 I N -0.259 120.331 120.570 0.032 0.000 2.827 336 I HA 0.618 4.788 4.170 -0.000 0.000 0.298 336 I C -1.314 174.877 176.117 0.123 0.000 1.235 336 I CA -0.964 60.395 61.300 0.099 0.000 1.021 336 I CB 2.361 40.441 38.000 0.133 0.000 1.259 336 I HN 0.348 nan 8.210 nan 0.000 0.427 337 V N 7.093 127.113 119.914 0.176 0.000 2.588 337 V HA 0.532 4.652 4.120 -0.000 0.000 0.304 337 V C -0.454 175.777 176.094 0.228 0.000 1.042 337 V CA -0.474 61.948 62.300 0.203 0.000 0.877 337 V CB 1.782 33.736 31.823 0.219 0.000 0.996 337 V HN 0.644 nan 8.190 nan 0.000 0.425 338 M N 5.940 125.683 119.600 0.240 0.000 2.142 338 M HA 0.598 5.078 4.480 -0.000 0.000 0.299 338 M C -1.330 175.072 176.300 0.171 0.000 0.960 338 M CA -0.118 55.323 55.300 0.235 0.000 0.920 338 M CB 1.795 34.583 32.600 0.312 0.000 1.541 338 M HN 0.413 nan 8.290 nan 0.000 0.429 339 L N 2.994 124.223 121.223 0.009 0.000 2.349 339 L HA 0.961 5.301 4.340 -0.000 0.000 0.278 339 L C -0.439 176.310 176.870 -0.202 0.000 0.996 339 L CA -0.689 54.015 54.840 -0.226 0.000 0.825 339 L CB 1.752 43.332 42.059 -0.798 0.000 1.243 339 L HN 0.778 nan 8.230 nan 0.000 0.412 340 A N 2.092 125.032 122.820 0.200 0.000 2.435 340 A HA 0.608 4.928 4.320 -0.000 0.000 0.304 340 A C -0.401 177.513 177.584 0.550 0.000 1.064 340 A CA -0.727 51.542 52.037 0.388 0.000 0.727 340 A CB 1.313 20.559 19.000 0.410 0.000 1.284 340 A HN 0.749 nan 8.150 nan 0.000 0.415 341 N N 1.088 120.040 118.700 0.420 0.000 2.558 341 N HA 0.192 4.932 4.740 -0.000 0.000 0.281 341 N C -0.526 174.987 175.510 0.005 0.000 1.219 341 N CA -0.169 52.848 53.050 -0.054 0.000 0.942 341 N CB 0.267 38.696 38.487 -0.096 0.000 1.241 341 N HN 0.607 nan 8.380 nan 0.000 0.511 342 K N 0.039 120.532 120.400 0.155 0.000 2.523 342 K HA 0.257 4.577 4.320 -0.000 0.000 0.257 342 K C -1.508 175.273 176.600 0.300 0.000 0.932 342 K CA -0.718 55.682 56.287 0.189 0.000 0.812 342 K CB 1.272 33.878 32.500 0.177 0.000 1.326 342 K HN -0.048 nan 8.250 nan 0.000 0.433 343 N N 3.883 122.720 118.700 0.228 0.000 2.448 343 N HA 0.099 4.839 4.740 -0.000 0.000 0.250 343 N C -1.456 174.167 175.510 0.190 0.000 1.136 343 N CA -0.019 53.141 53.050 0.183 0.000 0.953 343 N CB -0.158 38.409 38.487 0.133 0.000 1.251 343 N HN 0.478 nan 8.380 nan 0.000 0.502 344 Y N 1.504 121.845 120.300 0.069 0.000 2.534 344 Y HA 0.763 5.313 4.550 -0.000 0.000 0.329 344 Y C -2.482 173.434 175.900 0.028 0.000 1.154 344 Y CA -3.083 55.040 58.100 0.040 0.000 1.192 344 Y CB -0.023 38.454 38.460 0.028 0.000 1.275 344 Y HN 0.277 nan 8.280 nan 0.000 0.491 345 P HA 0.026 nan 4.420 nan 0.000 0.264 345 P C 0.069 177.270 177.300 -0.166 0.000 1.193 345 P CA 0.238 63.306 63.100 -0.054 0.000 0.763 345 P CB 0.700 32.412 31.700 0.020 0.000 0.810 346 N N 4.902 123.497 118.700 -0.174 0.000 2.049 346 N HA -0.179 4.561 4.740 -0.000 0.000 0.198 346 N C -0.865 174.542 175.510 -0.172 0.000 1.030 346 N CA 2.035 54.967 53.050 -0.198 0.000 0.870 346 N CB -1.983 36.418 38.487 -0.144 0.000 1.045 346 N HN 0.451 nan 8.380 nan 0.000 0.434 347 P HA -0.068 nan 4.420 nan 0.000 0.218 347 P C 1.098 178.372 177.300 -0.043 0.000 1.148 347 P CA 1.615 64.670 63.100 -0.075 0.000 0.822 347 P CB -0.108 31.562 31.700 -0.049 0.000 0.784 348 A N 0.089 122.909 122.820 0.001 0.000 1.933 348 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 348 A C 2.213 179.867 177.584 0.117 0.000 1.175 348 A CA 1.489 53.579 52.037 0.088 0.000 0.628 348 A CB -0.990 18.130 19.000 0.199 0.000 0.814 348 A HN 0.113 nan 8.150 nan 0.000 0.444 349 R N -0.629 119.891 120.500 0.033 0.000 2.073 349 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 349 R C 1.952 178.175 176.300 -0.128 0.000 1.134 349 R CA 1.581 57.670 56.100 -0.018 0.000 0.952 349 R CB -0.728 29.420 30.300 -0.253 0.000 0.850 349 R HN 0.375 nan 8.270 nan 0.000 0.433 350 V N 1.477 121.218 119.914 -0.287 0.000 2.548 350 V HA -0.203 3.917 4.120 -0.000 0.000 0.249 350 V C 1.841 178.006 176.094 0.118 0.000 1.055 350 V CA 2.023 64.203 62.300 -0.200 0.000 1.065 350 V CB -0.530 31.198 31.823 -0.159 0.000 0.681 350 V HN 0.326 nan 8.190 nan 0.000 0.462 351 D N 0.418 120.864 120.400 0.077 0.000 2.117 351 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 351 D C 2.116 178.550 176.300 0.222 0.000 0.982 351 D CA 1.386 55.470 54.000 0.141 0.000 0.828 351 D CB -0.069 40.776 40.800 0.074 0.000 0.967 351 D HN 0.366 nan 8.370 nan 0.000 0.464 352 A N 0.509 123.438 122.820 0.182 0.000 1.873 352 A HA 0.101 4.421 4.320 -0.000 0.000 0.215 352 A C 2.389 180.121 177.584 0.247 0.000 1.186 352 A CA 1.881 54.022 52.037 0.174 0.000 0.616 352 A CB -1.141 17.938 19.000 0.131 0.000 0.823 352 A HN 0.323 nan 8.150 nan 0.000 0.442 353 A N -1.494 121.540 122.820 0.357 0.000 1.883 353 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 353 A C 2.020 179.938 177.584 0.557 0.000 1.186 353 A CA 1.683 54.018 52.037 0.496 0.000 0.624 353 A CB -0.966 18.522 19.000 0.812 0.000 0.822 353 A HN 0.839 nan 8.150 nan 0.000 0.444 354 W N 0.569 122.118 121.300 0.415 0.000 2.379 354 W HA -0.166 4.494 4.660 -0.000 0.000 0.307 354 W C 2.364 179.017 176.519 0.223 0.000 1.200 354 W CA 1.879 59.413 57.345 0.314 0.000 1.297 354 W CB -0.121 29.351 29.460 0.021 0.000 1.140 354 W HN 0.334 nan 8.180 nan 0.000 0.507 355 Q N 0.336 120.287 119.800 0.251 0.000 2.077 355 Q HA -0.242 4.098 4.340 -0.000 0.000 0.206 355 Q C 2.200 178.162 176.000 -0.063 0.000 0.989 355 Q CA 2.456 58.288 55.803 0.049 0.000 0.853 355 Q CB -0.999 27.816 28.738 0.127 0.000 0.907 355 Q HN 0.481 nan 8.270 nan 0.000 0.418 356 I N 0.143 120.730 120.570 0.028 0.000 2.193 356 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 356 I C 2.335 178.440 176.117 -0.020 0.000 1.084 356 I CA 0.810 62.114 61.300 0.007 0.000 1.365 356 I CB -0.298 37.733 38.000 0.051 0.000 1.064 356 I HN 0.101 nan 8.210 nan 0.000 0.410 357 L N 0.338 121.577 121.223 0.027 0.000 2.093 357 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 357 L C 2.303 179.123 176.870 -0.083 0.000 1.085 357 L CA 1.276 56.125 54.840 0.015 0.000 0.755 357 L CB -0.787 41.347 42.059 0.125 0.000 0.904 357 L HN 0.320 nan 8.230 nan 0.000 0.435 358 N N 0.562 119.073 118.700 -0.315 0.000 2.166 358 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 358 N C 1.777 177.169 175.510 -0.197 0.000 1.019 358 N CA 1.455 54.266 53.050 -0.399 0.000 0.856 358 N CB -0.006 37.734 38.487 -1.245 0.000 0.993 358 N HN 0.285 nan 8.380 nan 0.000 0.426 359 A N 0.036 122.747 122.820 -0.182 0.000 1.933 359 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 359 A C 2.103 179.661 177.584 -0.042 0.000 1.175 359 A CA 0.949 52.929 52.037 -0.094 0.000 0.628 359 A CB -0.472 18.478 19.000 -0.084 0.000 0.814 359 A HN 0.362 nan 8.150 nan 0.000 0.444 360 L N -0.692 120.516 121.223 -0.026 0.000 2.477 360 L HA 0.037 4.377 4.340 -0.000 0.000 0.220 360 L C 1.709 178.646 176.870 0.111 0.000 1.106 360 L CA -0.088 54.767 54.840 0.025 0.000 0.851 360 L CB -0.225 41.847 42.059 0.022 0.000 0.994 360 L HN 0.557 nan 8.230 nan 0.000 0.462 361 Q N 0.000 119.840 119.800 0.066 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.846 55.803 0.071 0.000 1.022 361 Q CB 0.000 28.784 28.738 0.077 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481