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 1fcn_1_B DATA FIRST_RESID 1 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLLVPD EVKSSSDLLR FYQNWQPAWA PGTQRLEANS 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.492 177.584 -0.153 0.000 1.274 1 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 1 A CB 0.000 18.940 19.000 -0.101 0.000 0.831 2 P HA 0.028 nan 4.420 nan 0.000 0.258 2 P C 0.734 177.903 177.300 -0.219 0.000 1.172 2 P CA 0.533 63.492 63.100 -0.235 0.000 0.762 2 P CB 0.240 31.739 31.700 -0.334 0.000 0.764 3 Q N 2.486 122.213 119.800 -0.121 0.000 2.268 3 Q HA -0.306 4.034 4.340 -0.000 0.000 0.213 3 Q C 1.784 177.723 176.000 -0.102 0.000 0.995 3 Q CA 1.461 57.214 55.803 -0.083 0.000 0.901 3 Q CB -0.571 28.136 28.738 -0.051 0.000 0.921 3 Q HN 0.587 nan 8.270 nan 0.000 0.421 4 Q N 0.067 119.772 119.800 -0.158 0.000 2.124 4 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 4 Q C 2.138 178.029 176.000 -0.181 0.000 0.977 4 Q CA 1.046 56.754 55.803 -0.158 0.000 0.850 4 Q CB 0.103 28.725 28.738 -0.193 0.000 0.901 4 Q HN 0.485 nan 8.270 nan 0.000 0.429 5 I N 1.298 121.711 120.570 -0.261 0.000 2.142 5 I HA -0.272 3.897 4.170 -0.000 0.000 0.240 5 I C 1.814 177.861 176.117 -0.116 0.000 1.078 5 I CA 1.154 62.317 61.300 -0.228 0.000 1.343 5 I CB -1.575 36.242 38.000 -0.306 0.000 1.046 5 I HN 0.246 nan 8.210 nan 0.000 0.405 6 N N 1.090 119.787 118.700 -0.005 0.000 2.149 6 N HA -0.229 4.511 4.740 -0.000 0.000 0.188 6 N C 1.612 177.146 175.510 0.040 0.000 1.019 6 N CA 1.744 54.843 53.050 0.082 0.000 0.857 6 N CB -0.460 38.088 38.487 0.102 0.000 0.997 6 N HN 0.464 nan 8.380 nan 0.000 0.426 7 D N 0.514 120.919 120.400 0.009 0.000 2.084 7 D HA -0.073 4.567 4.640 -0.000 0.000 0.196 7 D C 1.881 178.192 176.300 0.018 0.000 0.985 7 D CA 0.423 54.444 54.000 0.034 0.000 0.826 7 D CB -0.069 40.735 40.800 0.007 0.000 0.978 7 D HN 0.026 nan 8.370 nan 0.000 0.456 8 I N -0.134 120.415 120.570 -0.035 0.000 2.252 8 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 8 I C 2.041 178.130 176.117 -0.046 0.000 1.102 8 I CA 0.922 62.196 61.300 -0.043 0.000 1.385 8 I CB -0.301 37.659 38.000 -0.066 0.000 1.064 8 I HN -0.019 nan 8.210 nan 0.000 0.414 9 V N 0.441 120.290 119.914 -0.108 0.000 2.307 9 V HA -0.324 3.795 4.120 -0.000 0.000 0.245 9 V C 2.590 178.736 176.094 0.086 0.000 1.045 9 V CA 2.328 64.545 62.300 -0.138 0.000 1.024 9 V CB -1.081 30.389 31.823 -0.588 0.000 0.651 9 V HN 0.571 nan 8.190 nan 0.000 0.449 10 H N 0.981 120.070 119.070 0.031 0.000 2.389 10 H HA -0.155 4.400 4.556 -0.000 0.000 0.299 10 H C 2.515 177.907 175.328 0.107 0.000 1.081 10 H CA 1.757 57.895 56.048 0.150 0.000 1.345 10 H CB 0.264 30.095 29.762 0.115 0.000 1.393 10 H HN 0.421 nan 8.280 nan 0.000 0.520 11 R N 0.077 120.558 120.500 -0.032 0.000 2.276 11 R HA 0.005 4.345 4.340 -0.000 0.000 0.203 11 R C 1.125 177.387 176.300 -0.062 0.000 1.017 11 R CA 1.252 57.288 56.100 -0.106 0.000 1.010 11 R CB 0.140 30.410 30.300 -0.050 0.000 0.900 11 R HN 0.109 nan 8.270 nan 0.000 0.469 12 T N 0.973 115.511 114.554 -0.028 0.000 3.031 12 T HA 0.158 4.508 4.350 -0.000 0.000 0.236 12 T C 1.748 176.419 174.700 -0.048 0.000 1.005 12 T CA 0.393 62.482 62.100 -0.018 0.000 1.230 12 T CB 0.059 68.930 68.868 0.004 0.000 0.913 12 T HN -0.025 nan 8.240 nan 0.000 0.419 13 I N 2.266 122.800 120.570 -0.061 0.000 2.179 13 I HA -0.127 4.043 4.170 -0.000 0.000 0.242 13 I C 2.646 178.574 176.117 -0.314 0.000 1.088 13 I CA 1.573 62.745 61.300 -0.214 0.000 1.357 13 I CB -1.951 35.850 38.000 -0.331 0.000 1.051 13 I HN 0.278 nan 8.210 nan 0.000 0.409 14 T N 2.078 116.575 114.554 -0.095 0.000 2.665 14 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 14 T C -0.261 174.375 174.700 -0.106 0.000 1.035 14 T CA 1.844 63.932 62.100 -0.020 0.000 1.151 14 T CB -1.342 67.703 68.868 0.294 0.000 0.862 14 T HN 0.257 nan 8.240 nan 0.000 0.438 15 P HA 0.018 nan 4.420 nan 0.000 0.218 15 P C 1.601 178.842 177.300 -0.100 0.000 1.149 15 P CA 0.422 63.473 63.100 -0.083 0.000 0.817 15 P CB -0.150 31.509 31.700 -0.069 0.000 0.785 16 L N -0.484 120.660 121.223 -0.131 0.000 2.012 16 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 16 L C 2.173 178.913 176.870 -0.217 0.000 1.073 16 L CA 1.836 56.589 54.840 -0.144 0.000 0.748 16 L CB -1.206 40.769 42.059 -0.140 0.000 0.891 16 L HN -0.134 nan 8.230 nan 0.000 0.431 17 I N -0.669 119.721 120.570 -0.300 0.000 2.163 17 I HA -0.287 3.882 4.170 -0.000 0.000 0.243 17 I C 2.504 178.514 176.117 -0.178 0.000 1.085 17 I CA 1.321 62.436 61.300 -0.307 0.000 1.347 17 I CB -0.340 37.424 38.000 -0.393 0.000 1.044 17 I HN 0.316 nan 8.210 nan 0.000 0.408 18 E N 0.916 121.041 120.200 -0.126 0.000 2.038 18 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 18 E C 2.171 178.735 176.600 -0.059 0.000 1.000 18 E CA 1.601 57.961 56.400 -0.067 0.000 0.803 18 E CB -0.194 29.482 29.700 -0.041 0.000 0.750 18 E HN 0.456 nan 8.360 nan 0.000 0.448 19 Q N -0.652 119.110 119.800 -0.063 0.000 2.167 19 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 19 Q C 1.731 177.709 176.000 -0.037 0.000 0.970 19 Q CA 1.108 56.888 55.803 -0.039 0.000 0.855 19 Q CB 0.130 28.852 28.738 -0.027 0.000 0.911 19 Q HN 0.205 nan 8.270 nan 0.000 0.438 20 Q N -0.061 119.694 119.800 -0.075 0.000 2.356 20 Q HA 0.076 4.416 4.340 -0.000 0.000 0.205 20 Q C -0.352 175.609 176.000 -0.066 0.000 0.901 20 Q CA 0.187 55.950 55.803 -0.066 0.000 0.938 20 Q CB 0.869 29.513 28.738 -0.157 0.000 1.081 20 Q HN 0.227 nan 8.270 nan 0.000 0.517 21 K N 0.526 120.883 120.400 -0.073 0.000 3.162 21 K HA -0.176 4.144 4.320 -0.000 0.000 0.268 21 K C -0.488 176.075 176.600 -0.062 0.000 1.062 21 K CA 0.411 56.666 56.287 -0.052 0.000 0.769 21 K CB -2.408 30.077 32.500 -0.024 0.000 1.274 21 K HN 0.264 nan 8.250 nan 0.000 0.478 22 I N 1.158 121.662 120.570 -0.109 0.000 2.352 22 I HA 0.045 4.215 4.170 -0.000 0.000 0.290 22 I C -0.889 175.211 176.117 -0.028 0.000 1.036 22 I CA -2.170 59.076 61.300 -0.091 0.000 1.336 22 I CB 0.942 38.821 38.000 -0.201 0.000 1.407 22 I HN -0.041 nan 8.210 nan 0.000 0.497 23 P HA -0.070 nan 4.420 nan 0.000 0.214 23 P C 0.399 177.771 177.300 0.121 0.000 1.163 23 P CA 0.653 63.770 63.100 0.028 0.000 0.883 23 P CB 0.225 31.885 31.700 -0.067 0.000 0.788 24 G N -2.153 106.767 108.800 0.200 0.000 2.672 24 G HA2 0.731 4.690 3.960 -0.000 0.000 0.292 24 G HA3 0.731 4.690 3.960 -0.000 0.000 0.292 24 G C -1.793 173.337 174.900 0.384 0.000 1.375 24 G CA -0.379 44.898 45.100 0.295 0.000 0.890 24 G HN 0.071 nan 8.290 nan 0.000 0.476 25 M N -0.098 119.782 119.600 0.467 0.000 2.605 25 M HA 0.634 5.114 4.480 -0.000 0.000 0.281 25 M C -1.803 174.807 176.300 0.517 0.000 1.166 25 M CA -0.560 54.988 55.300 0.413 0.000 0.875 25 M CB 2.152 34.827 32.600 0.125 0.000 1.732 25 M HN 1.215 nan 8.290 nan 0.000 0.504 26 A N 2.488 125.480 122.820 0.288 0.000 2.449 26 A HA 0.881 5.201 4.320 -0.000 0.000 0.302 26 A C -1.870 175.906 177.584 0.320 0.000 1.048 26 A CA -0.604 51.646 52.037 0.354 0.000 0.708 26 A CB 1.935 21.070 19.000 0.224 0.000 1.274 26 A HN 0.606 nan 8.150 nan 0.000 0.410 27 V N 0.752 120.984 119.914 0.530 0.000 2.709 27 V HA 0.799 4.919 4.120 -0.000 0.000 0.308 27 V C 0.028 176.460 176.094 0.564 0.000 1.062 27 V CA -0.205 62.389 62.300 0.491 0.000 0.901 27 V CB 1.867 34.012 31.823 0.537 0.000 1.003 27 V HN 1.498 nan 8.190 nan 0.000 0.425 28 A N 3.944 127.006 122.820 0.404 0.000 2.330 28 A HA 0.877 5.196 4.320 -0.000 0.000 0.313 28 A C -1.129 176.602 177.584 0.246 0.000 1.124 28 A CA -0.552 51.664 52.037 0.299 0.000 0.774 28 A CB 1.728 20.871 19.000 0.238 0.000 1.198 28 A HN 0.675 nan 8.150 nan 0.000 0.465 29 V N 3.834 123.919 119.914 0.284 0.000 2.409 29 V HA 0.324 4.444 4.120 -0.000 0.000 0.291 29 V C -0.804 175.428 176.094 0.229 0.000 1.020 29 V CA -0.311 62.137 62.300 0.246 0.000 0.848 29 V CB 1.272 33.255 31.823 0.267 0.000 0.990 29 V HN 0.734 nan 8.190 nan 0.000 0.430 30 I N 5.809 126.459 120.570 0.133 0.000 2.312 30 I HA 0.307 4.477 4.170 -0.000 0.000 0.291 30 I C -0.547 175.675 176.117 0.174 0.000 1.031 30 I CA -0.193 61.163 61.300 0.094 0.000 1.293 30 I CB 0.501 38.485 38.000 -0.027 0.000 1.403 30 I HN 0.606 nan 8.210 nan 0.000 0.484 31 Y N 5.844 126.221 120.300 0.128 0.000 2.363 31 Y HA 0.365 4.915 4.550 -0.000 0.000 0.325 31 Y C 0.027 175.973 175.900 0.077 0.000 0.984 31 Y CA -0.630 57.526 58.100 0.093 0.000 1.248 31 Y CB 0.693 39.216 38.460 0.105 0.000 1.116 31 Y HN 0.680 nan 8.280 nan 0.000 0.470 32 Q N 4.648 124.178 119.800 -0.449 0.000 2.470 32 Q HA -0.239 4.101 4.340 -0.000 0.000 0.294 32 Q C 1.083 176.996 176.000 -0.145 0.000 1.356 32 Q CA 1.054 56.642 55.803 -0.359 0.000 0.805 32 Q CB -1.540 26.932 28.738 -0.444 0.000 1.157 32 Q HN 1.379 nan 8.270 nan 0.000 0.431 33 G N -0.051 108.678 108.800 -0.119 0.000 2.257 33 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.267 33 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.267 33 G C 0.096 174.955 174.900 -0.069 0.000 0.984 33 G CA 0.895 45.939 45.100 -0.093 0.000 0.626 33 G HN 0.377 nan 8.290 nan 0.000 0.540 34 K N 1.538 121.922 120.400 -0.027 0.000 2.182 34 K HA 0.542 4.862 4.320 -0.000 0.000 0.262 34 K C -2.595 173.870 176.600 -0.224 0.000 0.957 34 K CA -2.192 54.024 56.287 -0.118 0.000 0.842 34 K CB 2.581 35.017 32.500 -0.108 0.000 1.099 34 K HN 0.080 nan 8.250 nan 0.000 0.438 35 P HA 0.163 nan 4.420 nan 0.000 0.278 35 P C -1.501 175.217 177.300 -0.971 0.000 1.238 35 P CA -0.189 62.590 63.100 -0.534 0.000 0.794 35 P CB 0.484 31.889 31.700 -0.492 0.000 0.955 36 Y N 0.949 120.959 120.300 -0.484 0.000 2.354 36 Y HA 0.393 4.942 4.550 -0.000 0.000 0.330 36 Y C -0.144 175.372 175.900 -0.639 0.000 1.011 36 Y CA -0.530 57.301 58.100 -0.448 0.000 1.099 36 Y CB 1.670 40.070 38.460 -0.100 0.000 1.179 36 Y HN 0.279 nan 8.280 nan 0.000 0.442 37 Y N 2.655 122.728 120.300 -0.378 0.000 2.420 37 Y HA 0.694 5.244 4.550 -0.000 0.000 0.334 37 Y C -0.876 174.562 175.900 -0.770 0.000 1.094 37 Y CA -1.244 56.658 58.100 -0.329 0.000 1.126 37 Y CB 1.328 39.714 38.460 -0.124 0.000 1.217 37 Y HN 0.377 nan 8.280 nan 0.000 0.462 38 F N 0.235 120.318 119.950 0.223 0.000 2.547 38 F HA 0.599 5.126 4.527 -0.000 0.000 0.316 38 F C -0.138 175.651 175.800 -0.018 0.000 1.121 38 F CA -0.777 57.198 58.000 -0.041 0.000 0.911 38 F CB 2.350 41.364 39.000 0.022 0.000 1.179 38 F HN 0.288 nan 8.300 nan 0.000 0.443 39 T N 2.496 116.935 114.554 -0.192 0.000 2.893 39 T HA 0.519 4.869 4.350 -0.000 0.000 0.291 39 T C -1.522 173.114 174.700 -0.106 0.000 1.028 39 T CA -0.691 61.440 62.100 0.051 0.000 0.995 39 T CB 1.454 70.351 68.868 0.048 0.000 1.051 39 T HN 0.476 nan 8.240 nan 0.000 0.470 40 W N 0.847 122.227 121.300 0.133 0.000 3.296 40 W HA 0.438 5.098 4.660 -0.000 0.000 0.314 40 W C 0.765 177.300 176.519 0.026 0.000 1.238 40 W CA -0.676 56.711 57.345 0.070 0.000 1.193 40 W CB 1.456 30.963 29.460 0.078 0.000 1.383 40 W HN 1.120 nan 8.180 nan 0.000 0.545 41 G N 1.674 110.554 108.800 0.133 0.000 2.594 41 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.297 41 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.297 41 G C -1.202 173.611 174.900 -0.146 0.000 1.273 41 G CA 0.286 45.303 45.100 -0.139 0.000 0.974 41 G HN 0.552 nan 8.290 nan 0.000 0.552 42 Y N 0.190 120.573 120.300 0.138 0.000 2.377 42 Y HA 0.560 5.110 4.550 -0.000 0.000 0.339 42 Y C 1.318 177.316 175.900 0.163 0.000 1.011 42 Y CA -0.378 57.796 58.100 0.123 0.000 1.093 42 Y CB 1.986 40.481 38.460 0.059 0.000 1.201 42 Y HN 0.720 nan 8.280 nan 0.000 0.455 43 A N 1.040 124.072 122.820 0.353 0.000 2.021 43 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 43 A C 0.274 178.060 177.584 0.338 0.000 1.163 43 A CA 1.116 53.306 52.037 0.255 0.000 0.676 43 A CB 0.115 19.208 19.000 0.154 0.000 0.818 43 A HN 0.696 nan 8.150 nan 0.000 0.453 44 D N -0.824 119.769 120.400 0.322 0.000 2.575 44 D HA 0.400 5.040 4.640 -0.000 0.000 0.250 44 D C 0.614 176.960 176.300 0.077 0.000 1.279 44 D CA -0.380 53.823 54.000 0.338 0.000 0.925 44 D CB 0.981 41.963 40.800 0.303 0.000 1.261 44 D HN 0.153 nan 8.370 nan 0.000 0.567 45 I N 2.154 122.735 120.570 0.018 0.000 2.233 45 I HA -0.162 4.008 4.170 -0.000 0.000 0.243 45 I C 2.556 178.498 176.117 -0.292 0.000 1.093 45 I CA 0.897 62.036 61.300 -0.268 0.000 1.380 45 I CB -0.211 37.586 38.000 -0.338 0.000 1.067 45 I HN 0.392 nan 8.210 nan 0.000 0.413 46 A N 1.325 124.045 122.820 -0.168 0.000 1.892 46 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 46 A C 2.186 179.678 177.584 -0.154 0.000 1.188 46 A CA 1.704 53.647 52.037 -0.156 0.000 0.631 46 A CB -0.440 18.473 19.000 -0.145 0.000 0.822 46 A HN 0.345 nan 8.150 nan 0.000 0.447 47 K N -1.320 119.007 120.400 -0.122 0.000 2.487 47 K HA 0.060 4.380 4.320 -0.000 0.000 0.192 47 K C -0.036 176.474 176.600 -0.150 0.000 1.027 47 K CA 0.358 56.592 56.287 -0.088 0.000 1.054 47 K CB 0.212 32.711 32.500 -0.002 0.000 0.824 47 K HN 0.259 nan 8.250 nan 0.000 0.510 48 K N 1.585 121.768 120.400 -0.360 0.000 3.016 48 K HA -0.212 4.108 4.320 -0.000 0.000 0.262 48 K C -0.116 176.388 176.600 -0.160 0.000 1.043 48 K CA 0.569 56.486 56.287 -0.616 0.000 0.761 48 K CB -1.714 30.588 32.500 -0.329 0.000 1.230 48 K HN 0.433 nan 8.250 nan 0.000 0.485 49 Q N 0.661 120.451 119.800 -0.017 0.000 2.286 49 Q HA 0.231 4.571 4.340 -0.000 0.000 0.257 49 Q C -2.188 174.004 176.000 0.319 0.000 0.941 49 Q CA -1.889 54.001 55.803 0.145 0.000 0.912 49 Q CB 1.014 29.826 28.738 0.123 0.000 1.192 49 Q HN 0.016 nan 8.270 nan 0.000 0.410 50 P HA 0.108 nan 4.420 nan 0.000 0.281 50 P C -0.749 176.674 177.300 0.205 0.000 1.264 50 P CA -0.447 62.819 63.100 0.276 0.000 0.824 50 P CB 1.128 32.931 31.700 0.173 0.000 1.092 51 V N 1.660 121.702 119.914 0.214 0.000 2.637 51 V HA 0.294 4.414 4.120 -0.000 0.000 0.296 51 V C 1.167 177.368 176.094 0.179 0.000 1.046 51 V CA 0.688 63.133 62.300 0.241 0.000 1.066 51 V CB 0.366 32.417 31.823 0.380 0.000 0.968 51 V HN 0.904 nan 8.190 nan 0.000 0.483 52 T N 1.173 115.820 114.554 0.156 0.000 2.716 52 T HA 0.338 4.688 4.350 -0.000 0.000 0.286 52 T C 0.435 175.175 174.700 0.067 0.000 1.052 52 T CA -0.737 61.409 62.100 0.078 0.000 1.024 52 T CB 1.605 70.490 68.868 0.029 0.000 1.349 52 T HN 0.398 nan 8.240 nan 0.000 0.525 53 Q N -0.496 119.278 119.800 -0.044 0.000 2.437 53 Q HA -0.019 4.320 4.340 -0.000 0.000 0.210 53 Q C 1.480 177.424 176.000 -0.093 0.000 0.972 53 Q CA 1.064 56.786 55.803 -0.136 0.000 0.903 53 Q CB -0.110 28.435 28.738 -0.321 0.000 0.967 53 Q HN 0.551 nan 8.270 nan 0.000 0.486 54 Q N -0.668 119.089 119.800 -0.070 0.000 2.282 54 Q HA 0.081 4.421 4.340 -0.000 0.000 0.206 54 Q C -0.403 175.583 176.000 -0.022 0.000 0.878 54 Q CA 0.110 55.843 55.803 -0.117 0.000 0.944 54 Q CB 1.135 29.763 28.738 -0.184 0.000 1.100 54 Q HN 0.063 nan 8.270 nan 0.000 0.509 55 T N 1.003 115.601 114.554 0.073 0.000 2.834 55 T HA 0.196 4.546 4.350 -0.000 0.000 0.298 55 T C -0.289 174.458 174.700 0.078 0.000 0.966 55 T CA -0.056 62.078 62.100 0.058 0.000 1.141 55 T CB 0.307 69.215 68.868 0.066 0.000 0.905 55 T HN 0.070 nan 8.240 nan 0.000 0.535 56 L N 4.296 125.513 121.223 -0.010 0.000 2.305 56 L HA 0.475 4.815 4.340 -0.000 0.000 0.281 56 L C -0.409 176.409 176.870 -0.087 0.000 1.085 56 L CA -0.052 54.786 54.840 -0.003 0.000 0.813 56 L CB 0.312 42.287 42.059 -0.141 0.000 1.157 56 L HN 0.530 nan 8.230 nan 0.000 0.436 57 F N 0.877 120.836 119.950 0.015 0.000 2.508 57 F HA 0.401 4.928 4.527 -0.000 0.000 0.325 57 F C 0.455 176.030 175.800 -0.374 0.000 1.090 57 F CA -0.891 57.084 58.000 -0.041 0.000 0.945 57 F CB 1.362 40.463 39.000 0.168 0.000 1.156 57 F HN 0.398 nan 8.300 nan 0.000 0.463 58 E N 2.899 122.616 120.200 -0.806 0.000 2.290 58 E HA 0.168 4.518 4.350 -0.000 0.000 0.277 58 E C 0.536 177.052 176.600 -0.140 0.000 1.035 58 E CA -0.061 56.021 56.400 -0.529 0.000 0.873 58 E CB 0.884 30.161 29.700 -0.706 0.000 1.029 58 E HN 0.636 nan 8.360 nan 0.000 0.419 59 L N 2.827 124.042 121.223 -0.013 0.000 2.341 59 L HA 0.072 4.412 4.340 -0.000 0.000 0.214 59 L C 1.394 178.359 176.870 0.158 0.000 1.115 59 L CA 0.544 55.449 54.840 0.108 0.000 0.820 59 L CB -0.801 41.328 42.059 0.116 0.000 0.944 59 L HN 0.909 nan 8.230 nan 0.000 0.452 60 G N 0.272 109.168 108.800 0.160 0.000 2.574 60 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.286 60 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.286 60 G C 0.756 175.798 174.900 0.237 0.000 1.212 60 G CA 0.249 45.479 45.100 0.216 0.000 0.979 60 G HN 0.165 nan 8.290 nan 0.000 0.557 61 S N -0.399 115.425 115.700 0.206 0.000 2.500 61 S HA 0.041 4.511 4.470 -0.000 0.000 0.239 61 S C 2.305 177.003 174.600 0.165 0.000 0.989 61 S CA 1.209 59.527 58.200 0.195 0.000 0.951 61 S CB -0.068 63.223 63.200 0.152 0.000 0.759 61 S HN 0.827 nan 8.310 nan 0.000 0.523 62 V N 1.604 121.618 119.914 0.167 0.000 2.867 62 V HA -0.135 3.985 4.120 -0.000 0.000 0.260 62 V C 2.028 178.222 176.094 0.168 0.000 1.099 62 V CA 1.407 63.793 62.300 0.144 0.000 1.122 62 V CB -0.627 31.314 31.823 0.196 0.000 0.708 62 V HN 0.465 nan 8.190 nan 0.000 0.490 63 S N -0.405 115.427 115.700 0.220 0.000 2.419 63 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 63 S C 1.835 176.599 174.600 0.273 0.000 1.016 63 S CA 1.080 59.456 58.200 0.292 0.000 0.974 63 S CB -0.216 63.094 63.200 0.183 0.000 0.786 63 S HN 0.648 nan 8.310 nan 0.000 0.492 64 K N 1.059 121.560 120.400 0.168 0.000 2.280 64 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 64 K C 2.419 179.026 176.600 0.011 0.000 1.047 64 K CA 1.559 57.922 56.287 0.125 0.000 0.942 64 K CB -0.472 32.112 32.500 0.139 0.000 0.739 64 K HN 0.607 nan 8.250 nan 0.000 0.457 65 T N -0.919 113.539 114.554 -0.158 0.000 2.777 65 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 65 T C 1.768 176.460 174.700 -0.014 0.000 1.040 65 T CA 0.842 62.663 62.100 -0.466 0.000 1.141 65 T CB -0.446 67.705 68.868 -1.195 0.000 0.868 65 T HN 0.030 nan 8.240 nan 0.000 0.444 66 F N 2.310 122.338 119.950 0.131 0.000 2.171 66 F HA 0.005 4.532 4.527 -0.000 0.000 0.300 66 F C 2.970 178.828 175.800 0.097 0.000 1.090 66 F CA 1.403 59.439 58.000 0.060 0.000 1.293 66 F CB -1.173 37.730 39.000 -0.161 0.000 1.013 66 F HN 0.176 nan 8.300 nan 0.000 0.486 67 T N -0.666 114.073 114.554 0.309 0.000 2.777 67 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 67 T C 2.421 177.301 174.700 0.300 0.000 1.040 67 T CA 1.316 63.610 62.100 0.323 0.000 1.141 67 T CB -1.062 68.018 68.868 0.353 0.000 0.868 67 T HN 0.419 nan 8.240 nan 0.000 0.444 68 G N 1.332 110.254 108.800 0.204 0.000 2.446 68 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 68 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 68 G C 1.701 176.731 174.900 0.216 0.000 1.168 68 G CA 1.005 46.199 45.100 0.157 0.000 0.771 68 G HN 0.430 nan 8.290 nan 0.000 0.551 69 V N 0.616 120.675 119.914 0.241 0.000 2.407 69 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 69 V C 2.680 178.890 176.094 0.193 0.000 1.055 69 V CA 1.641 64.098 62.300 0.262 0.000 1.049 69 V CB -0.378 31.698 31.823 0.422 0.000 0.662 69 V HN 0.355 nan 8.190 nan 0.000 0.455 70 L N 1.270 122.586 121.223 0.154 0.000 2.027 70 L HA 0.026 4.366 4.340 -0.000 0.000 0.206 70 L C 2.367 179.266 176.870 0.049 0.000 1.074 70 L CA 2.440 57.297 54.840 0.029 0.000 0.745 70 L CB -1.301 40.691 42.059 -0.111 0.000 0.898 70 L HN 0.253 nan 8.230 nan 0.000 0.433 71 G N -1.025 107.870 108.800 0.159 0.000 2.418 71 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.217 71 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.217 71 G C 1.516 176.536 174.900 0.199 0.000 1.158 71 G CA 0.596 45.820 45.100 0.207 0.000 0.771 71 G HN 0.601 nan 8.290 nan 0.000 0.545 72 G N 0.648 109.567 108.800 0.198 0.000 2.418 72 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 72 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 72 G C 1.445 176.404 174.900 0.098 0.000 1.158 72 G CA 1.384 46.575 45.100 0.151 0.000 0.771 72 G HN 0.502 nan 8.290 nan 0.000 0.545 73 D N 0.730 121.176 120.400 0.077 0.000 2.123 73 D HA -0.012 4.628 4.640 -0.000 0.000 0.196 73 D C 2.652 178.958 176.300 0.010 0.000 0.992 73 D CA 1.599 55.620 54.000 0.036 0.000 0.833 73 D CB -0.316 40.493 40.800 0.014 0.000 0.954 73 D HN 0.243 nan 8.370 nan 0.000 0.455 74 A N -0.147 122.668 122.820 -0.008 0.000 1.933 74 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 74 A C 2.338 179.915 177.584 -0.010 0.000 1.175 74 A CA 1.131 53.145 52.037 -0.038 0.000 0.628 74 A CB -0.771 18.170 19.000 -0.098 0.000 0.814 74 A HN 0.383 nan 8.150 nan 0.000 0.444 75 I N -0.053 120.533 120.570 0.027 0.000 2.208 75 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 75 I C 2.866 179.007 176.117 0.039 0.000 1.097 75 I CA 1.230 62.558 61.300 0.047 0.000 1.363 75 I CB -0.213 37.839 38.000 0.086 0.000 1.051 75 I HN 0.327 nan 8.210 nan 0.000 0.413 76 A N 0.311 123.153 122.820 0.036 0.000 2.015 76 A HA -0.140 4.179 4.320 -0.000 0.000 0.219 76 A C 2.321 179.914 177.584 0.014 0.000 1.163 76 A CA 1.245 53.298 52.037 0.027 0.000 0.646 76 A CB -0.489 18.527 19.000 0.026 0.000 0.806 76 A HN 0.335 nan 8.150 nan 0.000 0.448 77 R N -1.617 118.887 120.500 0.006 0.000 2.275 77 R HA 0.156 4.496 4.340 -0.000 0.000 0.199 77 R C 1.315 177.617 176.300 0.003 0.000 0.989 77 R CA 0.585 56.683 56.100 -0.003 0.000 1.016 77 R CB -0.068 30.222 30.300 -0.017 0.000 0.918 77 R HN 0.676 nan 8.270 nan 0.000 0.473 78 G N 0.977 109.785 108.800 0.013 0.000 2.141 78 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.242 78 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.242 78 G C 0.495 175.411 174.900 0.027 0.000 0.982 78 G CA 0.447 45.561 45.100 0.023 0.000 0.662 78 G HN 0.453 nan 8.290 nan 0.000 0.527 79 E N -0.470 119.735 120.200 0.009 0.000 2.250 79 E HA 0.304 4.654 4.350 -0.000 0.000 0.192 79 E C 1.466 178.071 176.600 0.008 0.000 0.986 79 E CA 1.061 57.463 56.400 0.003 0.000 0.849 79 E CB 0.334 30.008 29.700 -0.042 0.000 0.797 79 E HN 0.895 nan 8.360 nan 0.000 0.482 80 I N -2.453 118.110 120.570 -0.012 0.000 3.095 80 I HA 0.504 4.673 4.170 -0.000 0.000 0.310 80 I C -1.540 174.624 176.117 0.078 0.000 1.196 80 I CA -1.312 59.982 61.300 -0.010 0.000 0.985 80 I CB 2.351 40.195 38.000 -0.259 0.000 1.250 80 I HN -0.330 nan 8.210 nan 0.000 0.446 81 K N 2.972 123.464 120.400 0.152 0.000 2.468 81 K HA 0.469 4.789 4.320 -0.000 0.000 0.252 81 K C -0.002 176.696 176.600 0.163 0.000 0.932 81 K CA -0.784 55.588 56.287 0.141 0.000 0.794 81 K CB 3.008 35.590 32.500 0.136 0.000 1.241 81 K HN 0.618 nan 8.250 nan 0.000 0.428 82 L N 1.070 122.372 121.223 0.131 0.000 2.353 82 L HA -0.169 4.171 4.340 -0.000 0.000 0.220 82 L C 1.838 178.767 176.870 0.098 0.000 1.133 82 L CA 1.375 56.282 54.840 0.112 0.000 0.798 82 L CB -0.316 41.763 42.059 0.033 0.000 0.922 82 L HN 0.702 nan 8.230 nan 0.000 0.445 83 S N -2.899 112.863 115.700 0.104 0.000 2.562 83 S HA 0.027 4.497 4.470 -0.000 0.000 0.221 83 S C 0.562 175.242 174.600 0.132 0.000 0.975 83 S CA -0.358 57.899 58.200 0.096 0.000 0.918 83 S CB -0.262 62.986 63.200 0.080 0.000 0.772 83 S HN 0.218 nan 8.310 nan 0.000 0.531 84 D N 4.129 124.637 120.400 0.180 0.000 2.372 84 D HA 0.277 4.916 4.640 -0.000 0.000 0.243 84 D C -2.370 174.058 176.300 0.213 0.000 1.121 84 D CA -1.472 52.646 54.000 0.196 0.000 0.898 84 D CB 0.752 41.739 40.800 0.312 0.000 1.202 84 D HN 0.189 nan 8.370 nan 0.000 0.428 85 P HA 0.050 nan 4.420 nan 0.000 0.275 85 P C 0.541 177.961 177.300 0.200 0.000 1.228 85 P CA -0.258 62.948 63.100 0.177 0.000 0.786 85 P CB 0.803 32.573 31.700 0.117 0.000 0.927 86 T N 1.215 115.934 114.554 0.276 0.000 2.737 86 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 86 T C 1.496 176.304 174.700 0.180 0.000 1.040 86 T CA 2.045 64.315 62.100 0.282 0.000 1.142 86 T CB -0.856 68.215 68.868 0.338 0.000 0.861 86 T HN 0.511 nan 8.240 nan 0.000 0.456 87 T N 1.390 116.008 114.554 0.107 0.000 3.163 87 T HA 0.031 4.381 4.350 -0.000 0.000 0.260 87 T C 1.731 176.406 174.700 -0.041 0.000 1.156 87 T CA 0.527 62.639 62.100 0.020 0.000 1.072 87 T CB -0.019 68.855 68.868 0.010 0.000 0.937 87 T HN 0.329 nan 8.240 nan 0.000 0.528 88 K N 0.459 120.764 120.400 -0.157 0.000 2.228 88 K HA -0.028 4.291 4.320 -0.000 0.000 0.202 88 K C 0.592 176.904 176.600 -0.481 0.000 1.051 88 K CA 0.995 57.039 56.287 -0.404 0.000 0.960 88 K CB 0.063 32.158 32.500 -0.674 0.000 0.743 88 K HN 0.447 nan 8.250 nan 0.000 0.458 89 Y N -2.361 117.976 120.300 0.061 0.000 2.467 89 Y HA 0.126 4.676 4.550 -0.000 0.000 0.250 89 Y C 0.227 176.183 175.900 0.095 0.000 1.155 89 Y CA -0.625 57.499 58.100 0.039 0.000 1.249 89 Y CB 0.487 38.939 38.460 -0.013 0.000 1.146 89 Y HN 0.088 nan 8.280 nan 0.000 0.524 90 W N 3.906 125.203 121.300 -0.006 0.000 1.713 90 W HA 0.406 5.066 4.660 -0.000 0.000 0.303 90 W C -2.308 174.160 176.519 -0.085 0.000 0.915 90 W CA -3.511 53.795 57.345 -0.065 0.000 1.751 90 W CB 0.780 30.155 29.460 -0.140 0.000 1.955 90 W HN -0.157 nan 8.180 nan 0.000 0.405 91 P HA -0.253 nan 4.420 nan 0.000 0.221 91 P C 0.901 178.174 177.300 -0.045 0.000 1.141 91 P CA 1.727 64.843 63.100 0.026 0.000 0.794 91 P CB 0.260 31.981 31.700 0.035 0.000 0.764 92 E N -1.154 118.999 120.200 -0.078 0.000 2.478 92 E HA 0.012 4.362 4.350 -0.000 0.000 0.194 92 E C 0.350 176.652 176.600 -0.497 0.000 1.045 92 E CA -0.232 56.036 56.400 -0.220 0.000 0.868 92 E CB -0.198 29.447 29.700 -0.091 0.000 0.885 92 E HN 0.015 nan 8.360 nan 0.000 0.505 93 L N 1.815 122.621 121.223 -0.695 0.000 2.358 93 L HA 0.203 4.543 4.340 -0.000 0.000 0.274 93 L C 0.638 177.276 176.870 -0.388 0.000 1.136 93 L CA 0.331 54.681 54.840 -0.817 0.000 0.970 93 L CB 0.481 41.838 42.059 -1.170 0.000 1.314 93 L HN 0.044 nan 8.230 nan 0.000 0.427 94 T N 0.018 114.432 114.554 -0.234 0.000 3.069 94 T HA 0.398 4.747 4.350 -0.000 0.000 0.252 94 T C 0.830 175.534 174.700 0.006 0.000 1.053 94 T CA 0.217 62.267 62.100 -0.084 0.000 0.964 94 T CB 0.056 68.882 68.868 -0.069 0.000 1.005 94 T HN 0.538 nan 8.240 nan 0.000 0.532 95 A N 2.053 124.897 122.820 0.040 0.000 2.520 95 A HA 0.398 4.718 4.320 -0.000 0.000 0.245 95 A C 1.663 179.381 177.584 0.223 0.000 1.072 95 A CA -0.102 52.024 52.037 0.149 0.000 0.761 95 A CB 0.280 19.419 19.000 0.231 0.000 1.004 95 A HN 0.356 nan 8.150 nan 0.000 0.499 96 K N 1.653 122.123 120.400 0.115 0.000 2.127 96 K HA -0.269 4.051 4.320 -0.000 0.000 0.212 96 K C 2.047 178.681 176.600 0.056 0.000 1.050 96 K CA 2.754 59.085 56.287 0.072 0.000 0.929 96 K CB -0.186 32.327 32.500 0.021 0.000 0.715 96 K HN 0.870 nan 8.250 nan 0.000 0.457 97 Q N -1.043 118.760 119.800 0.006 0.000 2.439 97 Q HA -0.177 4.163 4.340 -0.000 0.000 0.211 97 Q C 1.270 177.157 176.000 -0.189 0.000 0.978 97 Q CA 1.459 57.171 55.803 -0.152 0.000 0.897 97 Q CB -0.533 28.011 28.738 -0.324 0.000 0.956 97 Q HN 0.541 nan 8.270 nan 0.000 0.483 98 W N 1.762 123.109 121.300 0.078 0.000 3.139 98 W HA 0.190 4.850 4.660 -0.000 0.000 0.260 98 W C 0.244 176.813 176.519 0.084 0.000 1.312 98 W CA -0.622 56.791 57.345 0.113 0.000 1.606 98 W CB 0.106 29.614 29.460 0.079 0.000 1.118 98 W HN -0.027 nan 8.180 nan 0.000 0.675 99 N N 1.037 119.847 118.700 0.184 0.000 2.411 99 N HA 0.130 4.870 4.740 -0.000 0.000 0.265 99 N C 1.168 176.746 175.510 0.115 0.000 1.266 99 N CA 1.784 54.913 53.050 0.132 0.000 0.889 99 N CB 0.679 39.212 38.487 0.077 0.000 1.069 99 N HN 0.301 nan 8.380 nan 0.000 0.476 100 G N 2.047 110.934 108.800 0.146 0.000 2.195 100 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.246 100 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.246 100 G C 0.144 175.154 174.900 0.184 0.000 0.984 100 G CA -0.399 44.789 45.100 0.147 0.000 0.633 100 G HN 0.564 nan 8.290 nan 0.000 0.525 101 I N 3.114 123.814 120.570 0.216 0.000 2.297 101 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 101 I C 1.189 177.588 176.117 0.469 0.000 1.033 101 I CA 0.098 61.567 61.300 0.283 0.000 1.253 101 I CB 0.990 39.115 38.000 0.209 0.000 1.396 101 I HN 0.304 nan 8.210 nan 0.000 0.476 102 T N 2.976 117.931 114.554 0.669 0.000 2.884 102 T HA 0.451 4.801 4.350 -0.000 0.000 0.277 102 T C 1.203 176.088 174.700 0.309 0.000 0.976 102 T CA -0.841 61.481 62.100 0.369 0.000 0.956 102 T CB 1.401 70.387 68.868 0.196 0.000 1.113 102 T HN 0.428 nan 8.240 nan 0.000 0.554 103 L N 0.177 121.561 121.223 0.269 0.000 2.201 103 L HA 0.026 4.366 4.340 -0.000 0.000 0.212 103 L C 2.489 179.440 176.870 0.135 0.000 1.105 103 L CA 0.645 55.672 54.840 0.313 0.000 0.775 103 L CB -0.783 41.505 42.059 0.382 0.000 0.913 103 L HN 0.575 nan 8.230 nan 0.000 0.440 104 L N -0.609 120.613 121.223 -0.001 0.000 2.017 104 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 104 L C 2.749 179.572 176.870 -0.077 0.000 1.073 104 L CA 1.862 56.615 54.840 -0.144 0.000 0.745 104 L CB -0.715 41.248 42.059 -0.160 0.000 0.894 104 L HN 0.235 nan 8.230 nan 0.000 0.432 105 H N -0.263 118.887 119.070 0.135 0.000 2.352 105 H HA -0.135 4.421 4.556 -0.000 0.000 0.299 105 H C 2.363 177.698 175.328 0.011 0.000 1.097 105 H CA 2.090 58.189 56.048 0.085 0.000 1.311 105 H CB -0.470 29.362 29.762 0.117 0.000 1.377 105 H HN 0.379 nan 8.280 nan 0.000 0.504 106 L N 0.151 121.480 121.223 0.176 0.000 2.027 106 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 106 L C 2.903 179.727 176.870 -0.077 0.000 1.074 106 L CA 0.989 55.906 54.840 0.128 0.000 0.745 106 L CB -0.562 41.651 42.059 0.258 0.000 0.898 106 L HN 0.206 nan 8.230 nan 0.000 0.433 107 A N -0.168 122.443 122.820 -0.349 0.000 1.972 107 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 107 A C 2.103 179.278 177.584 -0.682 0.000 1.169 107 A CA 2.021 53.561 52.037 -0.827 0.000 0.635 107 A CB -0.701 17.369 19.000 -1.551 0.000 0.810 107 A HN 0.521 nan 8.150 nan 0.000 0.446 108 T N -6.032 108.245 114.554 -0.462 0.000 3.134 108 T HA 0.315 4.665 4.350 -0.000 0.000 0.260 108 T C 0.264 174.777 174.700 -0.311 0.000 1.027 108 T CA 0.199 62.056 62.100 -0.405 0.000 0.913 108 T CB -0.862 68.010 68.868 0.006 0.000 1.046 108 T HN 0.653 nan 8.240 nan 0.000 0.553 109 Y N 1.092 121.366 120.300 -0.043 0.000 3.929 109 Y HA -0.272 4.278 4.550 -0.000 0.000 0.225 109 Y C 1.066 176.906 175.900 -0.100 0.000 1.200 109 Y CA 0.493 58.572 58.100 -0.035 0.000 1.791 109 Y CB -2.906 35.541 38.460 -0.020 0.000 1.561 109 Y HN 0.603 nan 8.280 nan 0.000 0.657 110 T N -4.313 110.221 114.554 -0.033 0.000 3.296 110 T HA 0.688 5.038 4.350 -0.000 0.000 0.285 110 T C 1.125 175.809 174.700 -0.027 0.000 1.014 110 T CA 0.087 62.082 62.100 -0.175 0.000 0.920 110 T CB 0.854 69.316 68.868 -0.676 0.000 1.143 110 T HN 0.458 nan 8.240 nan 0.000 0.522 111 A N 1.075 123.926 122.820 0.053 0.000 2.119 111 A HA 0.632 4.952 4.320 -0.000 0.000 0.216 111 A C 1.828 179.495 177.584 0.138 0.000 1.152 111 A CA 0.483 52.533 52.037 0.022 0.000 0.708 111 A CB -0.673 18.310 19.000 -0.028 0.000 0.805 111 A HN 1.539 nan 8.150 nan 0.000 0.460 112 G N -2.834 106.122 108.800 0.261 0.000 2.247 112 G HA2 0.390 4.350 3.960 -0.000 0.000 0.111 112 G HA3 0.390 4.350 3.960 -0.000 0.000 0.111 112 G C 1.010 176.276 174.900 0.610 0.000 1.045 112 G CA 0.378 45.751 45.100 0.455 0.000 0.715 112 G HN 1.955 nan 8.290 nan 0.000 0.485 113 G N -1.041 108.127 108.800 0.613 0.000 2.138 113 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.193 113 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.193 113 G C 0.531 175.694 174.900 0.438 0.000 0.998 113 G CA 0.015 45.407 45.100 0.487 0.000 0.668 113 G HN 1.300 nan 8.290 nan 0.000 0.516 114 L N 1.296 122.641 121.223 0.202 0.000 2.559 114 L HA 0.182 4.521 4.340 -0.000 0.000 0.282 114 L C -1.235 175.703 176.870 0.114 0.000 1.232 114 L CA -1.139 53.608 54.840 -0.154 0.000 0.885 114 L CB 0.290 42.174 42.059 -0.292 0.000 1.131 114 L HN 0.007 nan 8.230 nan 0.000 0.498 115 P HA -0.119 nan 4.420 nan 0.000 0.266 115 P C 0.406 177.802 177.300 0.161 0.000 1.193 115 P CA -0.220 63.006 63.100 0.209 0.000 0.770 115 P CB 0.516 32.400 31.700 0.306 0.000 0.836 116 L N 3.836 125.129 121.223 0.117 0.000 2.046 116 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 116 L C 0.277 177.196 176.870 0.083 0.000 1.077 116 L CA 1.944 56.829 54.840 0.075 0.000 0.747 116 L CB -0.512 41.572 42.059 0.043 0.000 0.896 116 L HN 0.238 nan 8.230 nan 0.000 0.432 117 L N -0.535 120.734 121.223 0.077 0.000 2.362 117 L HA 0.427 4.767 4.340 -0.000 0.000 0.271 117 L C -0.573 176.314 176.870 0.028 0.000 1.002 117 L CA -1.207 53.666 54.840 0.054 0.000 0.818 117 L CB 1.880 43.941 42.059 0.003 0.000 1.298 117 L HN -0.414 nan 8.230 nan 0.000 0.420 118 V N 2.266 122.187 119.914 0.011 0.000 2.572 118 V HA 0.144 4.264 4.120 -0.000 0.000 0.291 118 V C -1.909 174.015 176.094 -0.283 0.000 1.039 118 V CA -1.161 61.027 62.300 -0.188 0.000 1.055 118 V CB 0.448 32.229 31.823 -0.070 0.000 0.969 118 V HN 0.621 nan 8.190 nan 0.000 0.482 119 P HA 0.040 nan 4.420 nan 0.000 0.268 119 P C 0.833 178.017 177.300 -0.194 0.000 1.208 119 P CA -0.114 62.805 63.100 -0.301 0.000 0.777 119 P CB 0.519 32.014 31.700 -0.341 0.000 0.875 120 D N 1.138 121.475 120.400 -0.104 0.000 2.149 120 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 120 D C 0.980 177.248 176.300 -0.053 0.000 0.990 120 D CA 1.363 55.330 54.000 -0.055 0.000 0.839 120 D CB 0.249 41.031 40.800 -0.030 0.000 0.948 120 D HN 0.409 nan 8.370 nan 0.000 0.460 121 E N -0.130 120.030 120.200 -0.067 0.000 2.347 121 E HA -0.010 4.340 4.350 -0.000 0.000 0.196 121 E C 0.447 177.017 176.600 -0.049 0.000 1.008 121 E CA -0.076 56.297 56.400 -0.045 0.000 0.852 121 E CB 0.185 29.864 29.700 -0.036 0.000 0.783 121 E HN 0.056 nan 8.360 nan 0.000 0.505 122 V N 1.676 121.534 119.914 -0.093 0.000 2.521 122 V HA 0.024 4.144 4.120 -0.000 0.000 0.286 122 V C 0.905 176.980 176.094 -0.031 0.000 1.034 122 V CA 0.573 62.828 62.300 -0.076 0.000 1.045 122 V CB 1.148 32.867 31.823 -0.172 0.000 0.974 122 V HN 0.153 nan 8.190 nan 0.000 0.480 123 K N 2.232 122.633 120.400 0.002 0.000 2.641 123 K HA 0.185 4.505 4.320 -0.000 0.000 0.222 123 K C 1.004 177.619 176.600 0.025 0.000 1.474 123 K CA 0.347 56.640 56.287 0.011 0.000 0.873 123 K CB 0.058 32.566 32.500 0.012 0.000 1.817 123 K HN 0.679 nan 8.250 nan 0.000 0.419 124 S N 1.220 116.940 115.700 0.034 0.000 2.572 124 S HA -0.084 4.385 4.470 -0.000 0.000 0.262 124 S C 1.254 175.894 174.600 0.068 0.000 1.375 124 S CA 0.339 58.565 58.200 0.045 0.000 0.996 124 S CB 0.944 64.174 63.200 0.049 0.000 0.892 124 S HN 0.363 nan 8.310 nan 0.000 0.562 125 S N 0.478 116.218 115.700 0.068 0.000 2.461 125 S HA -0.029 4.440 4.470 -0.000 0.000 0.228 125 S C 1.690 176.385 174.600 0.158 0.000 1.005 125 S CA 0.713 58.969 58.200 0.094 0.000 0.942 125 S CB -0.769 62.467 63.200 0.060 0.000 0.776 125 S HN 0.644 nan 8.310 nan 0.000 0.514 126 S N 2.012 117.785 115.700 0.122 0.000 2.395 126 S HA -0.000 4.470 4.470 -0.000 0.000 0.225 126 S C 1.372 176.056 174.600 0.139 0.000 1.027 126 S CA 0.990 59.265 58.200 0.125 0.000 0.965 126 S CB -0.410 62.841 63.200 0.084 0.000 0.812 126 S HN 0.543 nan 8.310 nan 0.000 0.482 127 D N 1.409 121.883 120.400 0.122 0.000 2.117 127 D HA -0.025 4.615 4.640 -0.000 0.000 0.198 127 D C 1.836 178.251 176.300 0.193 0.000 0.982 127 D CA 0.504 54.576 54.000 0.119 0.000 0.828 127 D CB -0.360 40.482 40.800 0.069 0.000 0.967 127 D HN 0.160 nan 8.370 nan 0.000 0.464 128 L N 0.525 121.891 121.223 0.238 0.000 2.027 128 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 128 L C 2.150 179.360 176.870 0.568 0.000 1.074 128 L CA 1.161 56.235 54.840 0.390 0.000 0.745 128 L CB -0.787 41.484 42.059 0.353 0.000 0.898 128 L HN 0.030 nan 8.230 nan 0.000 0.433 129 L N -0.165 121.365 121.223 0.512 0.000 2.012 129 L HA -0.223 4.116 4.340 -0.000 0.000 0.210 129 L C 2.747 179.699 176.870 0.137 0.000 1.073 129 L CA 2.170 57.207 54.840 0.327 0.000 0.748 129 L CB -0.746 41.452 42.059 0.230 0.000 0.891 129 L HN 0.370 nan 8.230 nan 0.000 0.431 130 R N -1.233 119.363 120.500 0.161 0.000 2.091 130 R HA -0.261 4.079 4.340 -0.000 0.000 0.238 130 R C 2.375 178.781 176.300 0.177 0.000 1.136 130 R CA 2.086 58.263 56.100 0.129 0.000 0.959 130 R CB -0.758 29.615 30.300 0.122 0.000 0.856 130 R HN 0.482 nan 8.270 nan 0.000 0.437 131 F N 0.513 120.492 119.950 0.048 0.000 2.134 131 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 131 F C 1.310 177.135 175.800 0.041 0.000 1.097 131 F CA 1.328 59.324 58.000 -0.006 0.000 1.264 131 F CB -0.495 38.430 39.000 -0.124 0.000 1.001 131 F HN 0.012 nan 8.300 nan 0.000 0.479 132 Y N 0.261 120.517 120.300 -0.073 0.000 2.395 132 Y HA -0.054 4.496 4.550 -0.000 0.000 0.293 132 Y C 2.474 178.432 175.900 0.096 0.000 1.123 132 Y CA 1.080 59.122 58.100 -0.097 0.000 1.227 132 Y CB -0.748 37.602 38.460 -0.184 0.000 1.012 132 Y HN 0.115 nan 8.280 nan 0.000 0.552 133 Q N -0.140 119.718 119.800 0.097 0.000 2.369 133 Q HA -0.066 4.274 4.340 -0.000 0.000 0.206 133 Q C 0.774 176.876 176.000 0.170 0.000 0.963 133 Q CA 0.945 56.805 55.803 0.094 0.000 0.894 133 Q CB -0.269 28.454 28.738 -0.025 0.000 0.965 133 Q HN 0.664 nan 8.270 nan 0.000 0.475 134 N N -1.060 117.732 118.700 0.154 0.000 2.205 134 N HA -0.001 4.738 4.740 -0.000 0.000 0.201 134 N C -0.280 175.297 175.510 0.112 0.000 1.128 134 N CA -0.435 52.684 53.050 0.115 0.000 0.867 134 N CB 0.404 38.954 38.487 0.105 0.000 0.996 134 N HN 0.119 nan 8.380 nan 0.000 0.503 135 W N 2.641 123.919 121.300 -0.038 0.000 2.210 135 W HA 0.160 4.819 4.660 -0.000 0.000 0.330 135 W C -0.387 176.070 176.519 -0.103 0.000 1.334 135 W CA 0.038 57.319 57.345 -0.108 0.000 1.227 135 W CB 0.527 29.895 29.460 -0.153 0.000 1.178 135 W HN -0.129 nan 8.180 nan 0.000 0.560 136 Q N 7.427 126.684 119.800 -0.905 0.000 2.327 136 Q HA 0.416 4.756 4.340 -0.000 0.000 0.270 136 Q C -2.224 172.934 176.000 -1.403 0.000 1.022 136 Q CA -2.276 52.942 55.803 -0.975 0.000 0.773 136 Q CB 1.472 29.915 28.738 -0.491 0.000 1.251 136 Q HN 0.203 nan 8.270 nan 0.000 0.457 137 P HA 0.064 nan 4.420 nan 0.000 0.267 137 P C -0.537 176.377 177.300 -0.644 0.000 1.200 137 P CA 0.072 62.507 63.100 -1.109 0.000 0.772 137 P CB 1.040 32.245 31.700 -0.825 0.000 0.855 138 A N 1.889 124.342 122.820 -0.610 0.000 2.081 138 A HA 0.135 4.455 4.320 -0.000 0.000 0.214 138 A C 0.141 177.078 177.584 -1.079 0.000 1.158 138 A CA 0.706 52.129 52.037 -1.024 0.000 0.724 138 A CB -0.169 17.808 19.000 -1.705 0.000 0.826 138 A HN 0.552 nan 8.150 nan 0.000 0.463 139 W N -2.750 118.505 121.300 -0.075 0.000 3.042 139 W HA 0.631 5.291 4.660 -0.000 0.000 0.342 139 W C -0.067 176.401 176.519 -0.085 0.000 1.240 139 W CA -1.257 56.047 57.345 -0.068 0.000 1.166 139 W CB 0.946 30.382 29.460 -0.040 0.000 1.469 139 W HN 0.119 nan 8.180 nan 0.000 0.579 140 A N 3.168 126.093 122.820 0.175 0.000 2.425 140 A HA 0.483 4.803 4.320 -0.000 0.000 0.242 140 A C -1.999 175.601 177.584 0.028 0.000 1.077 140 A CA -0.747 51.323 52.037 0.054 0.000 0.781 140 A CB -0.754 18.273 19.000 0.045 0.000 1.020 140 A HN 0.136 nan 8.150 nan 0.000 0.494 141 P HA 0.183 nan 4.420 nan 0.000 0.269 141 P C 0.833 178.041 177.300 -0.153 0.000 1.215 141 P CA 1.429 64.389 63.100 -0.234 0.000 0.780 141 P CB 0.409 31.831 31.700 -0.463 0.000 0.898 142 G N 1.240 109.938 108.800 -0.169 0.000 2.203 142 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.263 142 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.263 142 G C 0.695 175.560 174.900 -0.059 0.000 1.012 142 G CA 0.949 46.069 45.100 0.033 0.000 0.749 142 G HN 0.748 nan 8.290 nan 0.000 0.512 143 T N -5.010 109.474 114.554 -0.117 0.000 3.056 143 T HA 0.413 4.762 4.350 -0.000 0.000 0.243 143 T C 0.693 175.252 174.700 -0.235 0.000 0.995 143 T CA 0.805 62.844 62.100 -0.102 0.000 1.091 143 T CB 0.560 69.399 68.868 -0.048 0.000 0.990 143 T HN 0.263 nan 8.240 nan 0.000 0.464 144 Q N 0.889 120.496 119.800 -0.322 0.000 2.377 144 Q HA 0.512 4.852 4.340 -0.000 0.000 0.271 144 Q C -1.209 174.582 176.000 -0.347 0.000 1.077 144 Q CA -0.602 54.917 55.803 -0.474 0.000 0.820 144 Q CB 3.086 31.207 28.738 -1.028 0.000 1.347 144 Q HN 0.386 nan 8.270 nan 0.000 0.444 145 R N 1.907 122.230 120.500 -0.295 0.000 2.338 145 R HA 0.567 4.906 4.340 -0.000 0.000 0.317 145 R C -1.351 174.887 176.300 -0.104 0.000 0.968 145 R CA -0.615 55.389 56.100 -0.160 0.000 0.849 145 R CB 0.605 30.842 30.300 -0.106 0.000 1.128 145 R HN 0.469 nan 8.270 nan 0.000 0.448 146 L N 4.147 125.369 121.223 -0.002 0.000 2.471 146 L HA 0.288 4.628 4.340 -0.000 0.000 0.263 146 L C -0.647 176.172 176.870 -0.084 0.000 0.985 146 L CA -0.411 54.437 54.840 0.014 0.000 0.868 146 L CB 1.524 43.698 42.059 0.192 0.000 1.203 146 L HN 0.750 nan 8.230 nan 0.000 0.429 147 E N 4.107 124.122 120.200 -0.309 0.000 2.696 147 E HA 0.330 4.679 4.350 -0.000 0.000 0.270 147 E C -0.731 175.615 176.600 -0.423 0.000 0.958 147 E CA 1.200 57.137 56.400 -0.772 0.000 0.964 147 E CB 0.541 29.950 29.700 -0.484 0.000 0.948 147 E HN 0.867 nan 8.360 nan 0.000 0.472 148 A N 4.389 126.988 122.820 -0.368 0.000 2.534 148 A HA 0.198 4.518 4.320 -0.000 0.000 0.300 148 A C -0.116 177.608 177.584 0.234 0.000 1.054 148 A CA -0.625 51.448 52.037 0.060 0.000 0.858 148 A CB 0.730 19.814 19.000 0.141 0.000 1.333 148 A HN 0.653 nan 8.150 nan 0.000 0.391 149 N N 1.229 120.044 118.700 0.191 0.000 2.149 149 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 149 N C 2.049 177.716 175.510 0.260 0.000 1.019 149 N CA 2.138 55.336 53.050 0.246 0.000 0.857 149 N CB -0.115 38.522 38.487 0.250 0.000 0.997 149 N HN 0.883 nan 8.380 nan 0.000 0.426 150 S N -1.202 114.659 115.700 0.268 0.000 2.453 150 S HA 0.035 4.505 4.470 -0.000 0.000 0.231 150 S C 2.047 176.851 174.600 0.339 0.000 1.005 150 S CA 0.913 59.326 58.200 0.356 0.000 0.949 150 S CB -0.062 63.374 63.200 0.394 0.000 0.774 150 S HN 0.209 nan 8.310 nan 0.000 0.510 151 S N 1.273 117.138 115.700 0.275 0.000 2.327 151 S HA 0.112 4.582 4.470 -0.000 0.000 0.213 151 S C 1.697 176.417 174.600 0.200 0.000 1.032 151 S CA 0.622 58.958 58.200 0.227 0.000 0.960 151 S CB -0.530 62.831 63.200 0.268 0.000 0.900 151 S HN 0.411 nan 8.310 nan 0.000 0.469 152 I N 2.164 122.864 120.570 0.216 0.000 2.286 152 I HA 0.025 4.195 4.170 -0.000 0.000 0.248 152 I C 2.160 178.391 176.117 0.190 0.000 1.115 152 I CA 1.678 63.070 61.300 0.152 0.000 1.392 152 I CB -1.118 36.971 38.000 0.149 0.000 1.065 152 I HN 0.386 nan 8.210 nan 0.000 0.418 153 G N 0.382 109.274 108.800 0.155 0.000 2.440 153 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.218 153 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.218 153 G C 1.609 176.489 174.900 -0.033 0.000 1.154 153 G CA 1.013 46.135 45.100 0.037 0.000 0.767 153 G HN 0.440 nan 8.290 nan 0.000 0.552 154 L N -0.239 121.004 121.223 0.033 0.000 2.141 154 L HA 0.160 4.500 4.340 -0.000 0.000 0.209 154 L C 2.375 179.187 176.870 -0.097 0.000 1.094 154 L CA 1.361 56.138 54.840 -0.105 0.000 0.763 154 L CB -0.706 41.223 42.059 -0.216 0.000 0.908 154 L HN 0.233 nan 8.230 nan 0.000 0.437 155 F N 0.373 120.271 119.950 -0.087 0.000 2.102 155 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 155 F C 2.206 177.960 175.800 -0.077 0.000 1.105 155 F CA 1.715 59.673 58.000 -0.070 0.000 1.239 155 F CB -0.984 37.985 39.000 -0.051 0.000 0.991 155 F HN 0.114 nan 8.300 nan 0.000 0.474 156 G N -0.209 108.521 108.800 -0.116 0.000 2.440 156 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 156 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 156 G C 1.794 176.565 174.900 -0.215 0.000 1.154 156 G CA 0.926 45.953 45.100 -0.121 0.000 0.767 156 G HN 0.644 nan 8.290 nan 0.000 0.552 157 A N 0.190 122.801 122.820 -0.349 0.000 1.929 157 A HA 0.226 4.546 4.320 -0.000 0.000 0.216 157 A C 2.393 179.792 177.584 -0.309 0.000 1.176 157 A CA 1.033 52.871 52.037 -0.331 0.000 0.628 157 A CB -0.239 18.527 19.000 -0.390 0.000 0.816 157 A HN 0.356 nan 8.150 nan 0.000 0.444 158 L N -1.122 119.884 121.223 -0.361 0.000 2.209 158 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 158 L C 2.967 179.554 176.870 -0.472 0.000 1.094 158 L CA 0.725 55.355 54.840 -0.350 0.000 0.790 158 L CB -0.538 41.369 42.059 -0.253 0.000 0.932 158 L HN 0.400 nan 8.230 nan 0.000 0.447 159 A N 0.466 122.920 122.820 -0.610 0.000 2.024 159 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 159 A C 2.070 179.425 177.584 -0.383 0.000 1.164 159 A CA 1.976 53.632 52.037 -0.635 0.000 0.643 159 A CB -0.684 17.840 19.000 -0.793 0.000 0.806 159 A HN 0.361 nan 8.150 nan 0.000 0.451 160 V N -4.476 115.279 119.914 -0.266 0.000 3.647 160 V HA 0.138 4.258 4.120 -0.000 0.000 0.279 160 V C 1.589 177.592 176.094 -0.152 0.000 1.314 160 V CA 0.596 62.789 62.300 -0.179 0.000 1.125 160 V CB -0.254 31.504 31.823 -0.107 0.000 0.907 160 V HN 0.199 nan 8.190 nan 0.000 0.434 161 K N 1.654 121.950 120.400 -0.173 0.000 2.032 161 K HA -0.025 4.295 4.320 -0.000 0.000 0.209 161 K C 0.185 176.753 176.600 -0.053 0.000 1.048 161 K CA 1.951 58.178 56.287 -0.100 0.000 0.927 161 K CB -1.802 30.665 32.500 -0.055 0.000 0.712 161 K HN 0.460 nan 8.250 nan 0.000 0.441 162 P HA -0.138 nan 4.420 nan 0.000 0.215 162 P C 1.565 178.846 177.300 -0.031 0.000 1.153 162 P CA 1.819 64.915 63.100 -0.008 0.000 0.853 162 P CB -0.128 31.568 31.700 -0.007 0.000 0.788 163 S N -1.340 114.322 115.700 -0.063 0.000 2.419 163 S HA -0.079 4.391 4.470 -0.000 0.000 0.235 163 S C 1.933 176.501 174.600 -0.054 0.000 1.019 163 S CA 1.519 59.681 58.200 -0.063 0.000 0.982 163 S CB -1.624 61.523 63.200 -0.089 0.000 0.789 163 S HN 0.340 nan 8.310 nan 0.000 0.490 164 G N 0.483 109.252 108.800 -0.052 0.000 2.199 164 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.254 164 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.254 164 G C 0.024 174.892 174.900 -0.053 0.000 0.982 164 G CA 0.395 45.468 45.100 -0.044 0.000 0.632 164 G HN 0.605 nan 8.290 nan 0.000 0.529 165 L N 1.767 122.949 121.223 -0.068 0.000 2.439 165 L HA 0.587 4.927 4.340 -0.000 0.000 0.261 165 L C 1.529 178.356 176.870 -0.071 0.000 1.153 165 L CA -0.202 54.593 54.840 -0.076 0.000 0.808 165 L CB 1.201 43.199 42.059 -0.102 0.000 1.126 165 L HN 0.410 nan 8.230 nan 0.000 0.460 166 S N 0.349 116.013 115.700 -0.061 0.000 2.608 166 S HA 0.074 4.543 4.470 -0.000 0.000 0.261 166 S C 0.844 175.431 174.600 -0.022 0.000 1.314 166 S CA -0.365 57.816 58.200 -0.033 0.000 0.992 166 S CB 0.487 63.673 63.200 -0.024 0.000 0.935 166 S HN 0.528 nan 8.310 nan 0.000 0.564 167 F N 1.221 121.083 119.950 -0.147 0.000 2.095 167 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 167 F C 2.565 178.254 175.800 -0.186 0.000 1.104 167 F CA 2.246 60.144 58.000 -0.171 0.000 1.232 167 F CB -0.574 38.327 39.000 -0.165 0.000 0.987 167 F HN 0.951 nan 8.300 nan 0.000 0.475 168 E N -0.623 119.543 120.200 -0.056 0.000 2.077 168 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 168 E C 2.146 178.595 176.600 -0.251 0.000 0.989 168 E CA 1.260 57.556 56.400 -0.172 0.000 0.800 168 E CB -0.149 29.540 29.700 -0.019 0.000 0.746 168 E HN 0.366 nan 8.360 nan 0.000 0.452 169 Q N 0.019 119.713 119.800 -0.176 0.000 2.119 169 Q HA -0.082 4.258 4.340 -0.000 0.000 0.201 169 Q C 2.037 177.887 176.000 -0.251 0.000 0.972 169 Q CA 1.406 57.105 55.803 -0.173 0.000 0.847 169 Q CB -0.335 28.336 28.738 -0.111 0.000 0.903 169 Q HN 0.413 nan 8.270 nan 0.000 0.433 170 A N 0.323 122.964 122.820 -0.298 0.000 1.873 170 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 170 A C 2.121 179.422 177.584 -0.471 0.000 1.186 170 A CA 1.756 53.592 52.037 -0.335 0.000 0.616 170 A CB -0.452 18.352 19.000 -0.327 0.000 0.823 170 A HN 0.334 nan 8.150 nan 0.000 0.442 171 M N -0.354 118.825 119.600 -0.703 0.000 2.117 171 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 171 M C 2.154 177.838 176.300 -1.026 0.000 1.065 171 M CA 1.932 56.661 55.300 -0.952 0.000 1.114 171 M CB -0.646 31.218 32.600 -1.226 0.000 1.361 171 M HN 0.555 nan 8.290 nan 0.000 0.408 172 Q N -1.076 118.272 119.800 -0.754 0.000 2.002 172 Q HA -0.191 4.148 4.340 -0.000 0.000 0.204 172 Q C 1.788 177.602 176.000 -0.310 0.000 0.988 172 Q CA 2.622 58.133 55.803 -0.486 0.000 0.843 172 Q CB -0.240 28.317 28.738 -0.301 0.000 0.908 172 Q HN 0.757 nan 8.270 nan 0.000 0.420 173 T N -2.853 111.546 114.554 -0.259 0.000 3.067 173 T HA 0.065 4.415 4.350 -0.000 0.000 0.261 173 T C 1.571 176.181 174.700 -0.151 0.000 1.110 173 T CA 0.496 62.494 62.100 -0.170 0.000 1.113 173 T CB 0.103 68.889 68.868 -0.136 0.000 0.917 173 T HN 0.093 nan 8.240 nan 0.000 0.499 174 R N -0.489 119.891 120.500 -0.199 0.000 2.279 174 R HA 0.433 4.773 4.340 -0.000 0.000 0.195 174 R C 1.564 177.801 176.300 -0.105 0.000 0.905 174 R CA 0.223 56.237 56.100 -0.143 0.000 1.044 174 R CB 0.612 30.816 30.300 -0.159 0.000 1.056 174 R HN 0.285 nan 8.270 nan 0.000 0.535 175 V N -1.305 118.510 119.914 -0.166 0.000 3.054 175 V HA 0.062 4.181 4.120 -0.000 0.000 0.227 175 V C 1.260 177.427 176.094 0.122 0.000 1.252 175 V CA 0.384 62.673 62.300 -0.019 0.000 1.279 175 V CB -0.339 31.440 31.823 -0.074 0.000 1.118 175 V HN -0.015 nan 8.190 nan 0.000 0.504 176 F N 1.545 121.404 119.950 -0.152 0.000 2.046 176 F HA -0.167 4.360 4.527 -0.000 0.000 0.297 176 F C 2.623 178.323 175.800 -0.166 0.000 1.123 176 F CA 1.651 59.522 58.000 -0.215 0.000 1.199 176 F CB -1.296 37.465 39.000 -0.400 0.000 0.972 176 F HN 0.192 nan 8.300 nan 0.000 0.474 177 Q N 0.145 119.958 119.800 0.021 0.000 2.020 177 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 177 Q C -0.352 175.645 176.000 -0.006 0.000 0.982 177 Q CA 2.088 57.873 55.803 -0.031 0.000 0.838 177 Q CB -1.507 27.192 28.738 -0.065 0.000 0.899 177 Q HN 0.280 nan 8.270 nan 0.000 0.423 178 P HA -0.143 nan 4.420 nan 0.000 0.225 178 P C 0.520 177.845 177.300 0.042 0.000 1.148 178 P CA 1.219 64.329 63.100 0.016 0.000 0.779 178 P CB 0.079 31.787 31.700 0.013 0.000 0.780 179 L N -1.659 119.612 121.223 0.080 0.000 2.700 179 L HA 0.246 4.586 4.340 -0.000 0.000 0.234 179 L C 0.368 177.282 176.870 0.074 0.000 1.156 179 L CA -0.253 54.651 54.840 0.106 0.000 0.946 179 L CB -0.478 41.710 42.059 0.214 0.000 1.216 179 L HN -0.189 nan 8.230 nan 0.000 0.493 180 K N 0.458 120.876 120.400 0.031 0.000 3.129 180 K HA -0.161 4.158 4.320 -0.000 0.000 0.273 180 K C -0.174 176.407 176.600 -0.032 0.000 1.123 180 K CA 0.660 56.944 56.287 -0.006 0.000 0.800 180 K CB -1.877 30.627 32.500 0.007 0.000 1.238 180 K HN 0.274 nan 8.250 nan 0.000 0.492 181 L N 0.809 122.001 121.223 -0.052 0.000 2.391 181 L HA 0.124 4.463 4.340 -0.000 0.000 0.249 181 L C 0.898 177.584 176.870 -0.307 0.000 1.308 181 L CA -0.431 54.314 54.840 -0.159 0.000 1.209 181 L CB 0.026 41.941 42.059 -0.239 0.000 1.401 181 L HN 0.141 nan 8.230 nan 0.000 0.416 182 N N 0.177 118.715 118.700 -0.269 0.000 2.571 182 N HA -0.081 4.658 4.740 -0.000 0.000 0.189 182 N C 0.698 175.794 175.510 -0.691 0.000 1.154 182 N CA 0.843 53.635 53.050 -0.431 0.000 0.907 182 N CB 0.068 38.321 38.487 -0.389 0.000 0.977 182 N HN 0.500 nan 8.380 nan 0.000 0.449 183 H N -1.108 117.882 119.070 -0.133 0.000 2.651 183 H HA 0.267 4.823 4.556 -0.000 0.000 0.241 183 H C -0.356 174.877 175.328 -0.158 0.000 1.225 183 H CA -0.124 55.912 56.048 -0.021 0.000 0.942 183 H CB 0.340 30.107 29.762 0.009 0.000 1.996 183 H HN -0.134 nan 8.280 nan 0.000 0.600 184 T N 0.937 115.188 114.554 -0.504 0.000 2.812 184 T HA 0.351 4.701 4.350 -0.000 0.000 0.282 184 T C -0.734 173.306 174.700 -1.101 0.000 0.990 184 T CA -0.435 61.183 62.100 -0.804 0.000 0.960 184 T CB 1.379 69.527 68.868 -1.200 0.000 0.948 184 T HN 0.217 nan 8.240 nan 0.000 0.438 185 W N 1.736 122.734 121.300 -0.502 0.000 3.107 185 W HA 0.559 5.219 4.660 -0.000 0.000 0.331 185 W C 0.605 176.996 176.519 -0.214 0.000 1.204 185 W CA -0.825 56.351 57.345 -0.283 0.000 1.184 185 W CB 1.079 30.389 29.460 -0.250 0.000 1.421 185 W HN 0.483 nan 8.180 nan 0.000 0.544 186 I N 1.106 121.771 120.570 0.159 0.000 2.731 186 I HA 0.025 4.195 4.170 -0.000 0.000 0.260 186 I C -0.080 176.069 176.117 0.052 0.000 1.138 186 I CA 0.748 62.092 61.300 0.073 0.000 1.461 186 I CB -0.034 38.020 38.000 0.089 0.000 1.128 186 I HN 0.342 nan 8.210 nan 0.000 0.438 187 N N 0.683 119.463 118.700 0.134 0.000 2.491 187 N HA 0.254 4.994 4.740 -0.000 0.000 0.274 187 N C -0.666 174.800 175.510 -0.075 0.000 1.023 187 N CA -0.391 52.673 53.050 0.024 0.000 0.902 187 N CB 2.374 40.878 38.487 0.028 0.000 1.267 187 N HN -0.077 nan 8.380 nan 0.000 0.503 188 V N 1.461 121.235 119.914 -0.233 0.000 2.450 188 V HA 0.360 4.479 4.120 -0.000 0.000 0.281 188 V C -2.161 173.640 176.094 -0.487 0.000 1.019 188 V CA -1.430 60.600 62.300 -0.450 0.000 1.062 188 V CB -0.365 31.168 31.823 -0.483 0.000 0.979 188 V HN 0.469 nan 8.190 nan 0.000 0.477 189 P HA 0.328 nan 4.420 nan 0.000 0.272 189 P C -2.218 174.864 177.300 -0.364 0.000 1.230 189 P CA -1.810 60.932 63.100 -0.597 0.000 0.788 189 P CB 0.088 31.274 31.700 -0.856 0.000 0.949 190 P HA -0.209 nan 4.420 nan 0.000 0.216 190 P C 1.153 178.376 177.300 -0.129 0.000 1.153 190 P CA 1.999 65.016 63.100 -0.139 0.000 0.858 190 P CB -0.454 31.187 31.700 -0.099 0.000 0.789 191 A N -0.925 121.805 122.820 -0.151 0.000 2.259 191 A HA -0.163 4.157 4.320 -0.000 0.000 0.212 191 A C 1.954 179.476 177.584 -0.104 0.000 1.178 191 A CA 1.514 53.487 52.037 -0.107 0.000 0.734 191 A CB -0.922 18.022 19.000 -0.094 0.000 0.774 191 A HN 0.119 nan 8.150 nan 0.000 0.481 192 E N -0.705 119.398 120.200 -0.162 0.000 2.601 192 E HA 0.095 4.445 4.350 -0.000 0.000 0.219 192 E C 1.472 178.022 176.600 -0.083 0.000 0.964 192 E CA 0.167 56.488 56.400 -0.132 0.000 1.050 192 E CB 0.019 29.566 29.700 -0.255 0.000 1.068 192 E HN 0.610 nan 8.360 nan 0.000 0.496 193 E N 1.073 121.234 120.200 -0.066 0.000 2.097 193 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 193 E C 1.644 178.260 176.600 0.027 0.000 1.000 193 E CA 1.649 58.051 56.400 0.004 0.000 0.804 193 E CB -0.192 29.505 29.700 -0.005 0.000 0.740 193 E HN 0.329 nan 8.360 nan 0.000 0.454 194 K N 0.774 121.183 120.400 0.015 0.000 2.362 194 K HA -0.089 4.231 4.320 -0.000 0.000 0.200 194 K C 1.112 177.733 176.600 0.034 0.000 1.046 194 K CA 1.536 57.841 56.287 0.031 0.000 0.952 194 K CB -0.122 32.392 32.500 0.023 0.000 0.753 194 K HN 0.073 nan 8.250 nan 0.000 0.466 195 N N -0.382 118.333 118.700 0.025 0.000 2.388 195 N HA -0.019 4.721 4.740 -0.000 0.000 0.176 195 N C -0.484 175.058 175.510 0.053 0.000 1.062 195 N CA -0.363 52.700 53.050 0.022 0.000 0.895 195 N CB 0.173 38.654 38.487 -0.010 0.000 1.018 195 N HN 0.180 nan 8.380 nan 0.000 0.456 196 Y N 2.380 122.603 120.300 -0.129 0.000 2.605 196 Y HA 0.174 4.724 4.550 -0.000 0.000 0.336 196 Y C 0.275 176.073 175.900 -0.171 0.000 1.111 196 Y CA -1.240 56.745 58.100 -0.192 0.000 1.422 196 Y CB 0.270 38.556 38.460 -0.289 0.000 1.193 196 Y HN 0.003 nan 8.280 nan 0.000 0.526 197 A N 6.475 129.391 122.820 0.159 0.000 2.304 197 A HA 0.187 4.507 4.320 -0.000 0.000 0.271 197 A C -1.291 176.310 177.584 0.029 0.000 1.091 197 A CA -0.503 51.562 52.037 0.047 0.000 0.812 197 A CB 0.365 19.335 19.000 -0.051 0.000 1.056 197 A HN 0.926 nan 8.150 nan 0.000 0.489 198 W N 0.223 121.534 121.300 0.018 0.000 2.313 198 W HA 0.497 5.157 4.660 -0.000 0.000 0.328 198 W C 0.859 176.999 176.519 -0.632 0.000 1.197 198 W CA 0.455 57.595 57.345 -0.341 0.000 1.235 198 W CB 1.215 30.352 29.460 -0.538 0.000 1.158 198 W HN 0.913 nan 8.180 nan 0.000 0.578 199 G N 1.165 109.646 108.800 -0.532 0.000 2.451 199 G HA2 0.518 4.478 3.960 -0.000 0.000 0.303 199 G HA3 0.518 4.478 3.960 -0.000 0.000 0.303 199 G C -2.160 172.252 174.900 -0.814 0.000 1.166 199 G CA -0.452 44.083 45.100 -0.943 0.000 0.884 199 G HN 0.437 nan 8.290 nan 0.000 0.514 200 Y N -0.137 120.055 120.300 -0.180 0.000 2.346 200 Y HA 0.587 5.137 4.550 -0.000 0.000 0.332 200 Y C 0.376 176.258 175.900 -0.029 0.000 0.985 200 Y CA -0.827 57.231 58.100 -0.070 0.000 1.112 200 Y CB 2.367 40.795 38.460 -0.054 0.000 1.170 200 Y HN 0.574 nan 8.280 nan 0.000 0.447 201 R N 2.242 122.791 120.500 0.080 0.000 2.584 201 R HA 0.314 4.654 4.340 -0.000 0.000 0.276 201 R C -0.703 175.633 176.300 0.060 0.000 1.046 201 R CA -0.410 55.732 56.100 0.070 0.000 0.906 201 R CB 1.232 31.560 30.300 0.047 0.000 1.215 201 R HN 0.712 nan 8.270 nan 0.000 0.449 202 E N 1.942 122.175 120.200 0.055 0.000 2.883 202 E HA -0.238 4.112 4.350 -0.000 0.000 0.271 202 E C 0.638 177.262 176.600 0.041 0.000 1.049 202 E CA 1.637 58.060 56.400 0.038 0.000 0.817 202 E CB -1.505 28.210 29.700 0.025 0.000 1.407 202 E HN 1.163 nan 8.360 nan 0.000 0.434 203 G N -0.592 108.250 108.800 0.070 0.000 2.205 203 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.261 203 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.261 203 G C 0.243 175.210 174.900 0.111 0.000 0.980 203 G CA 0.911 46.055 45.100 0.074 0.000 0.632 203 G HN 0.331 nan 8.290 nan 0.000 0.533 204 K N 0.696 121.143 120.400 0.079 0.000 2.130 204 K HA 0.714 5.034 4.320 -0.000 0.000 0.268 204 K C 0.459 177.021 176.600 -0.064 0.000 0.983 204 K CA -0.072 56.222 56.287 0.012 0.000 0.893 204 K CB 1.824 34.304 32.500 -0.033 0.000 1.066 204 K HN 0.456 nan 8.250 nan 0.000 0.450 205 A N 2.005 124.686 122.820 -0.231 0.000 2.401 205 A HA 0.474 4.794 4.320 -0.000 0.000 0.259 205 A C -0.103 177.297 177.584 -0.306 0.000 1.103 205 A CA -0.398 51.293 52.037 -0.577 0.000 0.789 205 A CB 0.056 18.551 19.000 -0.842 0.000 1.035 205 A HN 0.551 nan 8.150 nan 0.000 0.491 206 V N 0.379 120.207 119.914 -0.144 0.000 3.178 206 V HA 0.679 4.798 4.120 -0.000 0.000 0.302 206 V C -0.818 175.352 176.094 0.127 0.000 1.262 206 V CA -0.848 61.480 62.300 0.046 0.000 1.030 206 V CB 1.199 33.041 31.823 0.032 0.000 1.074 206 V HN 1.019 nan 8.190 nan 0.000 0.438 207 H N -0.043 119.147 119.070 0.201 0.000 2.821 207 H HA 0.705 5.261 4.556 -0.000 0.000 0.373 207 H C -0.622 174.816 175.328 0.183 0.000 1.165 207 H CA -0.930 55.206 56.048 0.146 0.000 1.154 207 H CB 2.334 32.048 29.762 -0.080 0.000 1.765 207 H HN 0.809 nan 8.280 nan 0.000 0.549 208 V N 2.148 122.268 119.914 0.344 0.000 2.763 208 V HA 0.006 4.126 4.120 -0.000 0.000 0.306 208 V C -0.248 175.977 176.094 0.218 0.000 1.059 208 V CA 0.285 62.742 62.300 0.261 0.000 1.138 208 V CB 0.877 32.864 31.823 0.273 0.000 0.940 208 V HN 0.759 nan 8.190 nan 0.000 0.489 209 S N 8.295 124.107 115.700 0.187 0.000 2.537 209 S HA 0.441 4.911 4.470 -0.000 0.000 0.275 209 S C -2.205 172.489 174.600 0.156 0.000 1.272 209 S CA -0.746 57.544 58.200 0.150 0.000 1.050 209 S CB 1.024 64.292 63.200 0.113 0.000 0.961 209 S HN 0.903 nan 8.310 nan 0.000 0.496 210 P HA 0.301 nan 4.420 nan 0.000 0.267 210 P C -0.040 177.320 177.300 0.099 0.000 1.201 210 P CA -0.073 63.079 63.100 0.086 0.000 0.775 210 P CB 0.333 32.066 31.700 0.054 0.000 0.854 211 G N -0.540 108.309 108.800 0.083 0.000 2.632 211 G HA2 0.523 4.483 3.960 -0.000 0.000 0.292 211 G HA3 0.523 4.483 3.960 -0.000 0.000 0.292 211 G C -1.303 173.620 174.900 0.037 0.000 1.465 211 G CA -0.310 44.848 45.100 0.097 0.000 0.824 211 G HN 0.568 nan 8.290 nan 0.000 0.509 212 A N 0.503 123.340 122.820 0.029 0.000 2.511 212 A HA 0.537 4.857 4.320 -0.000 0.000 0.242 212 A C 1.455 179.034 177.584 -0.008 0.000 1.069 212 A CA 0.529 52.568 52.037 0.004 0.000 0.763 212 A CB -0.351 18.654 19.000 0.008 0.000 1.001 212 A HN 1.781 nan 8.150 nan 0.000 0.498 213 L N 0.521 121.702 121.223 -0.071 0.000 4.001 213 L HA -0.327 4.013 4.340 -0.000 0.000 0.413 213 L C 1.164 177.877 176.870 -0.260 0.000 1.185 213 L CA 0.656 55.410 54.840 -0.144 0.000 0.963 213 L CB -1.686 40.356 42.059 -0.028 0.000 1.976 213 L HN 1.029 nan 8.230 nan 0.000 0.939 214 D N 0.008 120.203 120.400 -0.341 0.000 2.097 214 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 214 D C 1.978 177.867 176.300 -0.684 0.000 0.984 214 D CA 1.391 54.910 54.000 -0.802 0.000 0.826 214 D CB -0.143 40.307 40.800 -0.583 0.000 0.973 214 D HN 0.416 nan 8.370 nan 0.000 0.460 215 A N 0.892 123.486 122.820 -0.377 0.000 1.892 215 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 215 A C 2.145 179.607 177.584 -0.204 0.000 1.188 215 A CA 2.143 54.059 52.037 -0.201 0.000 0.631 215 A CB -0.814 18.154 19.000 -0.053 0.000 0.822 215 A HN 0.223 nan 8.150 nan 0.000 0.447 216 E N -0.475 119.398 120.200 -0.544 0.000 2.150 216 E HA 0.049 4.399 4.350 -0.000 0.000 0.193 216 E C 1.970 178.490 176.600 -0.134 0.000 0.985 216 E CA 1.397 57.453 56.400 -0.573 0.000 0.814 216 E CB -0.233 29.031 29.700 -0.726 0.000 0.752 216 E HN 0.626 nan 8.360 nan 0.000 0.466 217 A N -0.619 122.116 122.820 -0.141 0.000 2.013 217 A HA 0.109 4.429 4.320 -0.000 0.000 0.204 217 A C 1.004 178.696 177.584 0.180 0.000 1.262 217 A CA 0.576 52.657 52.037 0.073 0.000 0.800 217 A CB 0.057 19.180 19.000 0.206 0.000 0.909 217 A HN 0.401 nan 8.150 nan 0.000 0.472 218 Y N -3.982 116.356 120.300 0.064 0.000 2.957 218 Y HA 0.473 5.023 4.550 -0.000 0.000 0.274 218 Y C 1.002 176.929 175.900 0.045 0.000 1.065 218 Y CA -0.348 57.793 58.100 0.068 0.000 1.273 218 Y CB -0.374 38.128 38.460 0.070 0.000 1.358 218 Y HN 0.015 nan 8.280 nan 0.000 0.585 219 G N 1.141 109.831 108.800 -0.184 0.000 3.262 219 G HA2 0.351 4.310 3.960 -0.000 0.000 0.228 219 G HA3 0.351 4.310 3.960 -0.000 0.000 0.228 219 G C -0.283 174.578 174.900 -0.064 0.000 1.197 219 G CA 0.067 45.095 45.100 -0.119 0.000 0.819 219 G HN 0.123 nan 8.290 nan 0.000 0.531 220 V N 0.333 120.214 119.914 -0.054 0.000 2.509 220 V HA 0.421 4.541 4.120 -0.000 0.000 0.284 220 V C -0.288 175.693 176.094 -0.188 0.000 1.047 220 V CA -0.545 61.665 62.300 -0.150 0.000 0.952 220 V CB 1.574 33.239 31.823 -0.263 0.000 0.988 220 V HN 0.168 nan 8.190 nan 0.000 0.469 221 K N 2.533 122.776 120.400 -0.262 0.000 2.292 221 K HA 0.788 5.107 4.320 -0.000 0.000 0.257 221 K C -0.550 175.889 176.600 -0.268 0.000 0.940 221 K CA -0.143 55.973 56.287 -0.285 0.000 0.811 221 K CB 2.010 34.239 32.500 -0.451 0.000 1.120 221 K HN 0.705 nan 8.250 nan 0.000 0.428 222 S N 0.343 115.954 115.700 -0.148 0.000 2.625 222 S HA 0.605 5.075 4.470 -0.000 0.000 0.271 222 S C -1.217 173.437 174.600 0.091 0.000 1.161 222 S CA -0.706 57.431 58.200 -0.105 0.000 0.820 222 S CB 1.029 64.117 63.200 -0.186 0.000 1.137 222 S HN 0.672 nan 8.310 nan 0.000 0.470 223 T N 0.054 114.671 114.554 0.105 0.000 2.944 223 T HA 0.508 4.858 4.350 -0.000 0.000 0.284 223 T C 1.472 176.277 174.700 0.174 0.000 1.010 223 T CA -0.473 61.742 62.100 0.192 0.000 1.025 223 T CB 0.461 69.392 68.868 0.104 0.000 1.079 223 T HN 0.477 nan 8.240 nan 0.000 0.516 224 I N -0.228 120.449 120.570 0.180 0.000 2.493 224 I HA 0.061 4.231 4.170 -0.000 0.000 0.254 224 I C 2.415 178.686 176.117 0.258 0.000 1.160 224 I CA 1.045 62.467 61.300 0.203 0.000 1.445 224 I CB -1.177 36.981 38.000 0.263 0.000 1.086 224 I HN 0.850 nan 8.210 nan 0.000 0.433 225 E N 1.144 121.396 120.200 0.087 0.000 2.028 225 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 225 E C 1.639 178.345 176.600 0.176 0.000 0.988 225 E CA 1.411 57.859 56.400 0.079 0.000 0.799 225 E CB 0.021 29.634 29.700 -0.145 0.000 0.755 225 E HN 0.452 nan 8.360 nan 0.000 0.447 226 D N -0.101 120.375 120.400 0.127 0.000 2.117 226 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 226 D C 1.843 178.258 176.300 0.192 0.000 0.987 226 D CA 0.913 54.983 54.000 0.117 0.000 0.829 226 D CB -0.070 40.743 40.800 0.021 0.000 0.961 226 D HN 0.195 nan 8.370 nan 0.000 0.460 227 M N 0.376 120.104 119.600 0.214 0.000 2.213 227 M HA -0.026 4.454 4.480 -0.000 0.000 0.263 227 M C 2.162 178.648 176.300 0.309 0.000 1.062 227 M CA 0.614 56.097 55.300 0.305 0.000 1.105 227 M CB -1.007 31.751 32.600 0.264 0.000 1.385 227 M HN -0.026 nan 8.290 nan 0.000 0.417 228 A N 0.170 123.150 122.820 0.267 0.000 1.902 228 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 228 A C 2.358 180.026 177.584 0.141 0.000 1.181 228 A CA 1.428 53.587 52.037 0.203 0.000 0.623 228 A CB -0.534 18.628 19.000 0.270 0.000 0.818 228 A HN 0.442 nan 8.150 nan 0.000 0.443 229 R N -1.663 118.943 120.500 0.176 0.000 2.092 229 R HA -0.158 4.182 4.340 -0.000 0.000 0.231 229 R C 2.184 178.591 176.300 0.178 0.000 1.119 229 R CA 1.326 57.507 56.100 0.135 0.000 0.970 229 R CB -0.423 29.962 30.300 0.142 0.000 0.864 229 R HN 0.871 nan 8.270 nan 0.000 0.440 230 W N 1.106 122.431 121.300 0.042 0.000 2.338 230 W HA -0.233 4.427 4.660 -0.000 0.000 0.304 230 W C 1.463 177.928 176.519 -0.089 0.000 1.212 230 W CA 1.182 58.549 57.345 0.038 0.000 1.264 230 W CB -0.002 29.535 29.460 0.128 0.000 1.142 230 W HN -0.105 nan 8.180 nan 0.000 0.512 231 V N 1.032 120.898 119.914 -0.080 0.000 2.427 231 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 231 V C 2.340 178.102 176.094 -0.554 0.000 1.051 231 V CA 2.116 64.141 62.300 -0.459 0.000 1.048 231 V CB -0.853 30.831 31.823 -0.231 0.000 0.666 231 V HN 0.247 nan 8.190 nan 0.000 0.456 232 Q N -0.465 119.164 119.800 -0.284 0.000 2.119 232 Q HA -0.148 4.191 4.340 -0.000 0.000 0.201 232 Q C 2.441 178.266 176.000 -0.291 0.000 0.972 232 Q CA 1.761 57.412 55.803 -0.253 0.000 0.847 232 Q CB -0.134 28.529 28.738 -0.124 0.000 0.903 232 Q HN 0.581 nan 8.270 nan 0.000 0.433 233 S N 0.664 116.204 115.700 -0.266 0.000 2.428 233 S HA -0.031 4.439 4.470 -0.000 0.000 0.230 233 S C 1.337 175.700 174.600 -0.395 0.000 1.014 233 S CA 0.690 58.744 58.200 -0.244 0.000 0.957 233 S CB -0.043 63.100 63.200 -0.095 0.000 0.784 233 S HN 0.386 nan 8.310 nan 0.000 0.499 234 N N 0.850 119.144 118.700 -0.677 0.000 2.405 234 N HA 0.200 4.940 4.740 -0.000 0.000 0.175 234 N C 1.485 176.551 175.510 -0.739 0.000 1.051 234 N CA 0.253 52.823 53.050 -0.800 0.000 0.899 234 N CB 0.018 37.758 38.487 -1.245 0.000 1.000 234 N HN 0.314 nan 8.380 nan 0.000 0.451 235 L N 0.789 121.563 121.223 -0.747 0.000 2.027 235 L HA -0.046 4.293 4.340 -0.000 0.000 0.206 235 L C 0.385 177.092 176.870 -0.271 0.000 1.074 235 L CA 1.286 55.840 54.840 -0.475 0.000 0.745 235 L CB 0.067 41.880 42.059 -0.408 0.000 0.898 235 L HN -0.060 nan 8.230 nan 0.000 0.433 236 K N -0.230 120.023 120.400 -0.245 0.000 2.701 236 K HA 0.218 4.538 4.320 -0.000 0.000 0.212 236 K C -2.038 174.471 176.600 -0.151 0.000 1.035 236 K CA -1.258 54.929 56.287 -0.166 0.000 1.048 236 K CB 1.609 34.028 32.500 -0.135 0.000 1.234 236 K HN -0.127 nan 8.250 nan 0.000 0.540 237 P HA -0.095 nan 4.420 nan 0.000 0.234 237 P C 0.919 178.174 177.300 -0.076 0.000 1.167 237 P CA 0.617 63.650 63.100 -0.113 0.000 0.763 237 P CB 0.325 31.963 31.700 -0.103 0.000 0.835 238 L N -0.341 120.837 121.223 -0.075 0.000 2.275 238 L HA -0.085 4.255 4.340 -0.000 0.000 0.215 238 L C 1.954 178.793 176.870 -0.052 0.000 1.119 238 L CA 1.126 55.932 54.840 -0.057 0.000 0.790 238 L CB -0.773 41.252 42.059 -0.056 0.000 0.919 238 L HN -0.103 nan 8.230 nan 0.000 0.443 239 D N 0.011 120.373 120.400 -0.063 0.000 2.312 239 D HA 0.071 4.711 4.640 -0.000 0.000 0.211 239 D C 0.805 177.080 176.300 -0.042 0.000 0.964 239 D CA 0.552 54.520 54.000 -0.054 0.000 0.877 239 D CB 0.135 40.895 40.800 -0.065 0.000 0.924 239 D HN 0.199 nan 8.370 nan 0.000 0.515 240 I N 1.055 121.601 120.570 -0.040 0.000 2.441 240 I HA 0.041 4.211 4.170 -0.000 0.000 0.287 240 I C 1.124 177.231 176.117 -0.017 0.000 1.049 240 I CA -0.253 61.033 61.300 -0.024 0.000 1.381 240 I CB 1.093 39.082 38.000 -0.019 0.000 1.409 240 I HN -0.215 nan 8.210 nan 0.000 0.523 241 N N 3.301 121.994 118.700 -0.011 0.000 2.216 241 N HA -0.107 4.632 4.740 -0.000 0.000 0.183 241 N C -0.138 175.367 175.510 -0.008 0.000 1.017 241 N CA 0.715 53.759 53.050 -0.010 0.000 0.861 241 N CB 0.089 38.570 38.487 -0.010 0.000 0.986 241 N HN 0.561 nan 8.380 nan 0.000 0.428 242 E N 1.642 121.839 120.200 -0.004 0.000 2.299 242 E HA 0.024 4.374 4.350 -0.000 0.000 0.272 242 E C 0.202 176.800 176.600 -0.003 0.000 1.043 242 E CA 0.099 56.497 56.400 -0.004 0.000 0.895 242 E CB 0.908 30.607 29.700 -0.003 0.000 1.011 242 E HN 0.287 nan 8.360 nan 0.000 0.432 243 K N 1.532 121.929 120.400 -0.005 0.000 1.978 243 K HA -0.173 4.147 4.320 -0.000 0.000 0.214 243 K C 2.060 178.660 176.600 0.001 0.000 1.049 243 K CA 2.237 58.522 56.287 -0.004 0.000 0.939 243 K CB -0.540 31.958 32.500 -0.005 0.000 0.721 243 K HN 0.679 nan 8.250 nan 0.000 0.441 244 T N 0.796 115.350 114.554 0.001 0.000 2.778 244 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 244 T C 1.858 176.568 174.700 0.016 0.000 1.050 244 T CA 1.238 63.343 62.100 0.007 0.000 1.137 244 T CB -0.286 68.582 68.868 -0.000 0.000 0.860 244 T HN 0.074 nan 8.240 nan 0.000 0.468 245 L N 1.163 122.396 121.223 0.016 0.000 2.044 245 L HA 0.097 4.436 4.340 -0.000 0.000 0.205 245 L C 2.819 179.708 176.870 0.032 0.000 1.075 245 L CA 1.892 56.752 54.840 0.034 0.000 0.747 245 L CB -1.111 40.971 42.059 0.039 0.000 0.903 245 L HN 0.386 nan 8.230 nan 0.000 0.435 246 Q N -0.853 118.955 119.800 0.013 0.000 2.112 246 Q HA -0.309 4.031 4.340 -0.000 0.000 0.206 246 Q C 2.273 178.275 176.000 0.002 0.000 0.987 246 Q CA 2.338 58.139 55.803 -0.003 0.000 0.858 246 Q CB -0.178 28.553 28.738 -0.012 0.000 0.905 246 Q HN 0.678 nan 8.270 nan 0.000 0.420 247 Q N -0.751 119.056 119.800 0.011 0.000 2.050 247 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 247 Q C 2.062 178.087 176.000 0.042 0.000 0.980 247 Q CA 1.414 57.228 55.803 0.020 0.000 0.840 247 Q CB -0.393 28.357 28.738 0.021 0.000 0.898 247 Q HN 0.611 nan 8.270 nan 0.000 0.424 248 G N 1.072 109.904 108.800 0.054 0.000 2.469 248 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 248 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 248 G C 1.350 176.312 174.900 0.102 0.000 1.150 248 G CA 0.850 46.002 45.100 0.085 0.000 0.763 248 G HN 0.232 nan 8.290 nan 0.000 0.561 249 I N 0.524 121.136 120.570 0.070 0.000 2.179 249 I HA -0.168 4.002 4.170 -0.000 0.000 0.242 249 I C 2.849 178.993 176.117 0.044 0.000 1.088 249 I CA 1.302 62.630 61.300 0.048 0.000 1.357 249 I CB -1.161 36.816 38.000 -0.040 0.000 1.051 249 I HN 0.320 nan 8.210 nan 0.000 0.409 250 Q N 0.426 120.238 119.800 0.020 0.000 2.084 250 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 250 Q C 2.430 178.458 176.000 0.046 0.000 0.978 250 Q CA 1.281 57.089 55.803 0.009 0.000 0.844 250 Q CB -0.103 28.629 28.738 -0.010 0.000 0.898 250 Q HN 0.468 nan 8.270 nan 0.000 0.426 251 L N -0.187 121.086 121.223 0.083 0.000 2.141 251 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 251 L C 2.284 179.295 176.870 0.236 0.000 1.094 251 L CA 0.797 55.722 54.840 0.141 0.000 0.763 251 L CB -0.407 41.743 42.059 0.152 0.000 0.908 251 L HN 0.210 nan 8.230 nan 0.000 0.437 252 A N -1.080 121.874 122.820 0.224 0.000 2.168 252 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 252 A C 1.987 179.780 177.584 0.348 0.000 1.152 252 A CA 0.990 53.205 52.037 0.296 0.000 0.716 252 A CB -0.189 19.007 19.000 0.327 0.000 0.794 252 A HN 0.488 nan 8.150 nan 0.000 0.465 253 Q N -0.222 119.710 119.800 0.220 0.000 2.219 253 Q HA 0.204 4.543 4.340 -0.000 0.000 0.209 253 Q C -0.207 175.825 176.000 0.054 0.000 0.854 253 Q CA -0.307 55.577 55.803 0.135 0.000 0.960 253 Q CB 0.544 29.288 28.738 0.009 0.000 1.116 253 Q HN 0.489 nan 8.270 nan 0.000 0.500 254 S N 0.780 116.499 115.700 0.031 0.000 2.585 254 S HA 0.255 4.724 4.470 -0.000 0.000 0.273 254 S C 0.040 174.496 174.600 -0.241 0.000 1.339 254 S CA -0.182 57.891 58.200 -0.212 0.000 1.028 254 S CB 0.622 63.552 63.200 -0.450 0.000 0.906 254 S HN 0.201 nan 8.310 nan 0.000 0.528 255 R N 1.265 121.585 120.500 -0.300 0.000 2.198 255 R HA 0.281 4.621 4.340 -0.000 0.000 0.339 255 R C -0.365 175.801 176.300 -0.224 0.000 1.020 255 R CA -0.056 55.978 56.100 -0.110 0.000 0.864 255 R CB 0.373 30.586 30.300 -0.145 0.000 1.105 255 R HN 0.683 nan 8.270 nan 0.000 0.463 256 Y N 0.598 120.901 120.300 0.005 0.000 2.479 256 Y HA 0.194 4.744 4.550 -0.000 0.000 0.283 256 Y C 0.053 175.647 175.900 -0.510 0.000 1.109 256 Y CA 0.135 58.081 58.100 -0.257 0.000 1.239 256 Y CB 0.564 38.873 38.460 -0.251 0.000 1.108 256 Y HN 0.441 nan 8.280 nan 0.000 0.548 257 W N 0.071 121.533 121.300 0.270 0.000 3.033 257 W HA 0.554 5.214 4.660 0.000 0.000 0.336 257 W C -0.806 175.803 176.519 0.149 0.000 1.173 257 W CA -0.995 56.455 57.345 0.176 0.000 1.185 257 W CB 1.188 30.732 29.460 0.139 0.000 1.425 257 W HN -0.414 nan 8.180 nan 0.000 0.536 258 Q N 1.051 121.028 119.800 0.294 0.000 2.377 258 Q HA 0.830 5.170 4.340 -0.000 0.000 0.271 258 Q C -1.168 174.833 176.000 0.003 0.000 1.077 258 Q CA -0.514 55.290 55.803 0.002 0.000 0.820 258 Q CB 2.218 30.913 28.738 -0.071 0.000 1.347 258 Q HN 0.472 nan 8.270 nan 0.000 0.444 259 T N 2.167 116.656 114.554 -0.109 0.000 3.293 259 T HA 0.567 4.917 4.350 -0.000 0.000 0.320 259 T C 0.121 174.752 174.700 -0.114 0.000 0.995 259 T CA -0.191 61.870 62.100 -0.065 0.000 1.041 259 T CB 1.133 69.986 68.868 -0.026 0.000 1.058 259 T HN 1.094 nan 8.240 nan 0.000 0.453 260 G N 4.193 112.934 108.800 -0.098 0.000 2.622 260 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.307 260 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.307 260 G C 0.290 175.104 174.900 -0.144 0.000 1.226 260 G CA 0.806 45.849 45.100 -0.096 0.000 0.997 260 G HN 0.984 nan 8.290 nan 0.000 0.551 261 D N -0.141 120.186 120.400 -0.122 0.000 2.427 261 D HA 0.371 5.011 4.640 -0.000 0.000 0.224 261 D C 0.914 177.132 176.300 -0.137 0.000 1.157 261 D CA 0.121 54.047 54.000 -0.123 0.000 0.828 261 D CB 0.130 40.895 40.800 -0.058 0.000 0.974 261 D HN 0.507 nan 8.370 nan 0.000 0.498 262 M N 0.768 120.246 119.600 -0.203 0.000 2.508 262 M HA 0.439 4.919 4.480 -0.000 0.000 0.327 262 M C -1.791 174.346 176.300 -0.271 0.000 1.160 262 M CA -0.648 54.604 55.300 -0.080 0.000 0.980 262 M CB 1.981 34.617 32.600 0.061 0.000 1.693 262 M HN -0.143 nan 8.290 nan 0.000 0.452 263 Y N 1.415 121.818 120.300 0.172 0.000 2.391 263 Y HA 0.388 4.938 4.550 -0.000 0.000 0.341 263 Y C -0.355 175.692 175.900 0.245 0.000 0.965 263 Y CA -0.766 57.447 58.100 0.188 0.000 1.067 263 Y CB 1.625 40.167 38.460 0.136 0.000 1.199 263 Y HN 0.553 nan 8.280 nan 0.000 0.450 264 Q N 1.937 121.996 119.800 0.432 0.000 2.296 264 Q HA 0.573 4.913 4.340 -0.000 0.000 0.257 264 Q C 0.047 176.316 176.000 0.448 0.000 0.942 264 Q CA -0.137 55.915 55.803 0.414 0.000 0.939 264 Q CB 1.174 30.163 28.738 0.418 0.000 1.198 264 Q HN 0.911 nan 8.270 nan 0.000 0.429 265 G N 2.784 111.816 108.800 0.388 0.000 2.782 265 G HA2 0.476 4.436 3.960 -0.000 0.000 0.201 265 G HA3 0.476 4.436 3.960 -0.000 0.000 0.201 265 G C -0.907 174.122 174.900 0.215 0.000 1.374 265 G CA -0.781 44.567 45.100 0.415 0.000 1.039 265 G HN 0.584 nan 8.290 nan 0.000 0.576 266 L N 1.226 122.546 121.223 0.161 0.000 2.287 266 L HA 0.459 4.799 4.340 -0.000 0.000 0.280 266 L C 1.290 178.155 176.870 -0.007 0.000 1.055 266 L CA 0.424 55.226 54.840 -0.064 0.000 0.863 266 L CB 0.359 42.370 42.059 -0.079 0.000 1.245 266 L HN 1.053 nan 8.230 nan 0.000 0.432 267 G N 1.949 110.716 108.800 -0.055 0.000 4.365 267 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.214 267 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.214 267 G C -0.027 174.860 174.900 -0.021 0.000 1.450 267 G CA -0.347 44.709 45.100 -0.072 0.000 0.937 267 G HN 0.479 nan 8.290 nan 0.000 0.625 268 W N 2.200 123.593 121.300 0.155 0.000 2.112 268 W HA 0.579 5.239 4.660 -0.000 0.000 0.349 268 W C 0.819 177.453 176.519 0.192 0.000 1.289 268 W CA -0.003 57.435 57.345 0.155 0.000 1.256 268 W CB 0.394 29.923 29.460 0.114 0.000 1.148 268 W HN 0.337 nan 8.180 nan 0.000 0.590 269 E N 1.221 121.749 120.200 0.547 0.000 2.266 269 E HA 0.507 4.857 4.350 -0.000 0.000 0.268 269 E C -0.955 175.928 176.600 0.472 0.000 0.879 269 E CA -1.109 55.578 56.400 0.479 0.000 0.762 269 E CB 1.827 31.807 29.700 0.468 0.000 1.199 269 E HN 0.148 nan 8.360 nan 0.000 0.422 270 M N 1.986 121.820 119.600 0.389 0.000 2.572 270 M HA 0.520 4.999 4.480 -0.000 0.000 0.299 270 M C -1.509 175.022 176.300 0.384 0.000 1.205 270 M CA -0.448 55.031 55.300 0.299 0.000 0.876 270 M CB 1.645 34.349 32.600 0.172 0.000 1.728 270 M HN 0.291 nan 8.290 nan 0.000 0.458 271 L N 0.381 121.795 121.223 0.319 0.000 2.393 271 L HA 0.534 4.874 4.340 -0.000 0.000 0.260 271 L C -0.709 176.321 176.870 0.267 0.000 1.002 271 L CA -0.599 54.430 54.840 0.315 0.000 0.818 271 L CB 1.966 44.127 42.059 0.170 0.000 1.369 271 L HN 0.571 nan 8.230 nan 0.000 0.412 272 D N 0.812 121.351 120.400 0.232 0.000 2.382 272 D HA 0.010 4.650 4.640 -0.000 0.000 0.245 272 D C -1.023 175.400 176.300 0.205 0.000 1.120 272 D CA 0.137 54.240 54.000 0.171 0.000 0.890 272 D CB 1.310 42.176 40.800 0.111 0.000 1.201 272 D HN 0.371 nan 8.370 nan 0.000 0.433 273 W N 4.486 125.839 121.300 0.088 0.000 2.469 273 W HA 0.284 4.944 4.660 -0.000 0.000 0.320 273 W C -2.311 174.255 176.519 0.080 0.000 1.086 273 W CA -1.823 55.594 57.345 0.119 0.000 1.211 273 W CB 1.198 30.738 29.460 0.133 0.000 1.298 273 W HN 0.233 nan 8.180 nan 0.000 0.525 274 P HA 0.116 nan 4.420 nan 0.000 0.272 274 P C -1.080 175.828 177.300 -0.654 0.000 1.223 274 P CA -0.072 62.164 63.100 -1.441 0.000 0.784 274 P CB 2.329 33.484 31.700 -0.909 0.000 0.923 275 V N 2.107 121.652 119.914 -0.614 0.000 2.769 275 V HA 0.310 4.430 4.120 -0.000 0.000 0.312 275 V C -0.036 175.787 176.094 -0.452 0.000 1.058 275 V CA -1.003 61.089 62.300 -0.348 0.000 0.952 275 V CB 1.713 33.381 31.823 -0.259 0.000 1.019 275 V HN 0.645 nan 8.190 nan 0.000 0.445 276 N N 5.708 124.176 118.700 -0.386 0.000 2.401 276 N HA 0.303 5.043 4.740 -0.000 0.000 0.255 276 N C -1.869 173.291 175.510 -0.585 0.000 1.110 276 N CA -1.740 51.059 53.050 -0.419 0.000 0.949 276 N CB 1.572 39.892 38.487 -0.277 0.000 1.110 276 N HN 0.343 nan 8.380 nan 0.000 0.490 277 P HA -0.134 nan 4.420 nan 0.000 0.216 277 P C 0.547 177.487 177.300 -0.599 0.000 1.154 277 P CA 1.179 63.617 63.100 -1.103 0.000 0.865 277 P CB 0.374 31.148 31.700 -1.542 0.000 0.789 278 D N -1.030 119.110 120.400 -0.433 0.000 2.123 278 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 278 D C 2.141 178.303 176.300 -0.229 0.000 0.992 278 D CA 1.509 55.346 54.000 -0.270 0.000 0.833 278 D CB -0.962 39.713 40.800 -0.208 0.000 0.954 278 D HN 0.124 nan 8.370 nan 0.000 0.455 279 S N 0.516 116.068 115.700 -0.248 0.000 2.351 279 S HA -0.165 4.305 4.470 -0.000 0.000 0.220 279 S C 2.177 176.677 174.600 -0.166 0.000 1.035 279 S CA 1.687 59.775 58.200 -0.186 0.000 1.031 279 S CB -0.416 62.672 63.200 -0.187 0.000 0.928 279 S HN 0.429 nan 8.310 nan 0.000 0.433 280 I N -1.185 119.241 120.570 -0.240 0.000 2.676 280 I HA 0.070 4.240 4.170 -0.000 0.000 0.259 280 I C 2.018 178.072 176.117 -0.105 0.000 1.194 280 I CA 1.040 62.242 61.300 -0.164 0.000 1.473 280 I CB -0.351 37.450 38.000 -0.332 0.000 1.096 280 I HN 0.296 nan 8.210 nan 0.000 0.443 281 I N 2.115 122.584 120.570 -0.169 0.000 2.206 281 I HA -0.176 3.994 4.170 -0.000 0.000 0.239 281 I C 2.136 178.204 176.117 -0.081 0.000 1.078 281 I CA 1.693 62.922 61.300 -0.117 0.000 1.367 281 I CB -0.536 37.382 38.000 -0.138 0.000 1.078 281 I HN 0.255 nan 8.210 nan 0.000 0.413 282 N N 0.766 119.413 118.700 -0.088 0.000 2.289 282 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 282 N C 1.885 177.368 175.510 -0.045 0.000 1.016 282 N CA 1.013 54.025 53.050 -0.063 0.000 0.872 282 N CB -0.284 38.162 38.487 -0.067 0.000 0.973 282 N HN 0.397 nan 8.380 nan 0.000 0.433 283 G N 0.733 109.509 108.800 -0.041 0.000 2.443 283 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.219 283 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.219 283 G C 1.625 176.533 174.900 0.013 0.000 1.131 283 G CA 0.954 46.048 45.100 -0.011 0.000 0.775 283 G HN 0.436 nan 8.290 nan 0.000 0.547 284 S N -0.072 115.635 115.700 0.013 0.000 2.481 284 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 284 S C 0.898 175.485 174.600 -0.023 0.000 0.996 284 S CA 0.245 58.450 58.200 0.008 0.000 0.942 284 S CB -0.115 63.075 63.200 -0.017 0.000 0.768 284 S HN 0.288 nan 8.310 nan 0.000 0.520 285 D N 2.066 122.448 120.400 -0.030 0.000 2.488 285 D HA 0.039 4.679 4.640 -0.000 0.000 0.238 285 D C 0.790 177.076 176.300 -0.024 0.000 1.138 285 D CA 0.313 54.294 54.000 -0.031 0.000 0.873 285 D CB 0.234 41.017 40.800 -0.029 0.000 1.183 285 D HN 0.355 nan 8.370 nan 0.000 0.458 286 N N 2.063 120.749 118.700 -0.023 0.000 2.137 286 N HA -0.252 4.487 4.740 -0.000 0.000 0.190 286 N C 1.358 176.859 175.510 -0.014 0.000 1.017 286 N CA 1.181 54.220 53.050 -0.019 0.000 0.859 286 N CB 0.072 38.550 38.487 -0.015 0.000 1.002 286 N HN 0.438 nan 8.380 nan 0.000 0.428 287 K N 0.681 121.074 120.400 -0.012 0.000 2.442 287 K HA -0.032 4.288 4.320 -0.000 0.000 0.198 287 K C 1.206 177.800 176.600 -0.011 0.000 1.044 287 K CA 1.178 57.460 56.287 -0.008 0.000 0.948 287 K CB -0.019 32.476 32.500 -0.008 0.000 0.762 287 K HN 0.340 nan 8.250 nan 0.000 0.472 288 I N -0.456 120.105 120.570 -0.015 0.000 3.570 288 I HA 0.140 4.310 4.170 -0.000 0.000 0.270 288 I C 2.132 178.238 176.117 -0.018 0.000 1.162 288 I CA 0.421 61.711 61.300 -0.017 0.000 1.413 288 I CB -0.129 37.860 38.000 -0.019 0.000 1.437 288 I HN 0.173 nan 8.210 nan 0.000 0.457 289 A N 1.312 124.123 122.820 -0.016 0.000 1.948 289 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 289 A C 2.075 179.634 177.584 -0.042 0.000 1.177 289 A CA 1.634 53.660 52.037 -0.018 0.000 0.636 289 A CB -0.748 18.245 19.000 -0.012 0.000 0.815 289 A HN 0.447 nan 8.150 nan 0.000 0.449 290 L N -1.184 120.018 121.223 -0.035 0.000 2.607 290 L HA 0.268 4.608 4.340 -0.000 0.000 0.228 290 L C 1.183 178.041 176.870 -0.019 0.000 1.123 290 L CA -0.058 54.758 54.840 -0.040 0.000 0.890 290 L CB -0.311 41.733 42.059 -0.025 0.000 1.103 290 L HN 0.342 nan 8.230 nan 0.000 0.468 291 A N 1.008 123.820 122.820 -0.014 0.000 2.388 291 A HA 0.618 4.937 4.320 -0.000 0.000 0.257 291 A C 0.566 178.138 177.584 -0.020 0.000 1.095 291 A CA -0.173 51.864 52.037 -0.000 0.000 0.791 291 A CB 0.343 19.340 19.000 -0.006 0.000 1.029 291 A HN 0.219 nan 8.150 nan 0.000 0.489 292 A N 2.412 125.230 122.820 -0.003 0.000 2.462 292 A HA 0.552 4.872 4.320 -0.000 0.000 0.243 292 A C 0.544 178.026 177.584 -0.171 0.000 1.076 292 A CA 0.233 52.205 52.037 -0.109 0.000 0.773 292 A CB 0.071 18.983 19.000 -0.146 0.000 1.010 292 A HN 0.838 nan 8.150 nan 0.000 0.493 293 R N 1.990 122.356 120.500 -0.223 0.000 2.584 293 R HA 0.430 4.770 4.340 -0.000 0.000 0.276 293 R C -2.959 173.208 176.300 -0.223 0.000 1.046 293 R CA -1.686 54.303 56.100 -0.185 0.000 0.906 293 R CB 2.570 32.807 30.300 -0.106 0.000 1.215 293 R HN 0.553 nan 8.270 nan 0.000 0.449 294 P HA 0.005 nan 4.420 nan 0.000 0.265 294 P C -0.548 176.696 177.300 -0.094 0.000 1.193 294 P CA -0.040 62.957 63.100 -0.173 0.000 0.765 294 P CB 0.874 32.499 31.700 -0.125 0.000 0.823 295 V N 0.362 120.238 119.914 -0.064 0.000 2.815 295 V HA 0.637 4.757 4.120 -0.000 0.000 0.314 295 V C -0.159 176.052 176.094 0.195 0.000 1.064 295 V CA -1.116 61.227 62.300 0.072 0.000 0.952 295 V CB 2.113 33.980 31.823 0.073 0.000 1.020 295 V HN 0.547 nan 8.190 nan 0.000 0.439 296 K N 2.732 123.286 120.400 0.257 0.000 2.323 296 K HA 0.808 5.127 4.320 -0.000 0.000 0.259 296 K C -0.148 176.632 176.600 0.300 0.000 0.947 296 K CA -0.356 56.070 56.287 0.232 0.000 0.819 296 K CB 1.843 34.415 32.500 0.120 0.000 1.109 296 K HN 1.207 nan 8.250 nan 0.000 0.429 297 A N 4.911 127.874 122.820 0.238 0.000 2.445 297 A HA 0.300 4.620 4.320 -0.000 0.000 0.242 297 A C -0.005 177.515 177.584 -0.106 0.000 1.075 297 A CA -0.372 51.599 52.037 -0.110 0.000 0.777 297 A CB -0.066 18.808 19.000 -0.209 0.000 1.013 297 A HN 0.811 nan 8.150 nan 0.000 0.493 298 I N 2.626 123.068 120.570 -0.214 0.000 2.361 298 I HA 0.168 4.338 4.170 -0.000 0.000 0.282 298 I C -0.241 175.777 176.117 -0.166 0.000 1.075 298 I CA -0.006 61.221 61.300 -0.121 0.000 1.205 298 I CB 0.848 38.798 38.000 -0.084 0.000 1.406 298 I HN 0.517 nan 8.210 nan 0.000 0.481 299 T N 6.352 120.840 114.554 -0.111 0.000 2.781 299 T HA 0.405 4.755 4.350 -0.000 0.000 0.305 299 T C -1.585 173.073 174.700 -0.069 0.000 1.001 299 T CA -0.913 61.131 62.100 -0.094 0.000 0.950 299 T CB 0.645 69.477 68.868 -0.060 0.000 0.955 299 T HN 0.444 nan 8.240 nan 0.000 0.471 300 P HA 0.538 nan 4.420 nan 0.000 0.287 300 P C -3.076 174.131 177.300 -0.154 0.000 1.296 300 P CA -2.320 60.718 63.100 -0.103 0.000 0.811 300 P CB 0.088 31.743 31.700 -0.075 0.000 1.211 301 P HA 0.065 nan 4.420 nan 0.000 0.264 301 P C -0.304 176.826 177.300 -0.282 0.000 1.193 301 P CA 0.556 63.441 63.100 -0.358 0.000 0.763 301 P CB -0.115 31.189 31.700 -0.660 0.000 0.810 302 T N 5.988 120.386 114.554 -0.259 0.000 2.851 302 T HA 0.212 4.562 4.350 -0.000 0.000 0.298 302 T C -2.055 172.513 174.700 -0.219 0.000 0.977 302 T CA -0.973 61.006 62.100 -0.202 0.000 1.126 302 T CB -0.137 68.613 68.868 -0.197 0.000 0.916 302 T HN 0.263 nan 8.240 nan 0.000 0.529 303 P HA 0.188 nan 4.420 nan 0.000 0.269 303 P C -0.560 176.661 177.300 -0.132 0.000 1.217 303 P CA -0.392 62.626 63.100 -0.137 0.000 0.783 303 P CB 0.328 31.969 31.700 -0.098 0.000 0.898 304 A N 2.254 125.010 122.820 -0.106 0.000 2.580 304 A HA 0.071 4.391 4.320 -0.000 0.000 0.244 304 A C 0.094 177.620 177.584 -0.097 0.000 1.045 304 A CA 0.212 52.192 52.037 -0.095 0.000 0.761 304 A CB -0.663 18.295 19.000 -0.070 0.000 0.962 304 A HN 0.369 nan 8.150 nan 0.000 0.512 305 V N 5.837 125.685 119.914 -0.109 0.000 2.408 305 V HA 0.103 4.223 4.120 -0.000 0.000 0.267 305 V C 1.534 177.587 176.094 -0.069 0.000 1.047 305 V CA -0.138 62.105 62.300 -0.094 0.000 0.937 305 V CB 0.617 32.367 31.823 -0.122 0.000 0.999 305 V HN 1.063 nan 8.190 nan 0.000 0.472 306 R N 3.632 124.098 120.500 -0.057 0.000 2.091 306 R HA -0.077 4.263 4.340 -0.000 0.000 0.238 306 R C 1.340 177.621 176.300 -0.032 0.000 1.136 306 R CA 1.510 57.578 56.100 -0.053 0.000 0.959 306 R CB -0.087 30.183 30.300 -0.050 0.000 0.856 306 R HN 0.754 nan 8.270 nan 0.000 0.437 307 A N 1.235 124.062 122.820 0.012 0.000 3.056 307 A HA 0.301 4.620 4.320 -0.000 0.000 0.274 307 A C -0.663 177.015 177.584 0.157 0.000 1.661 307 A CA -0.074 52.021 52.037 0.097 0.000 1.363 307 A CB 0.111 19.195 19.000 0.140 0.000 1.139 307 A HN 0.097 nan 8.150 nan 0.000 0.598 308 S N 0.656 116.417 115.700 0.102 0.000 2.595 308 S HA 0.570 5.040 4.470 -0.000 0.000 0.281 308 S C -1.004 173.680 174.600 0.139 0.000 1.117 308 S CA -0.627 57.656 58.200 0.139 0.000 0.873 308 S CB 1.265 64.467 63.200 0.003 0.000 1.108 308 S HN 0.702 nan 8.310 nan 0.000 0.477 309 W N 3.442 124.771 121.300 0.048 0.000 2.291 309 W HA 0.580 5.240 4.660 -0.000 0.000 0.312 309 W C -1.884 174.488 176.519 -0.245 0.000 1.061 309 W CA -0.581 56.742 57.345 -0.037 0.000 1.296 309 W CB 0.492 30.038 29.460 0.143 0.000 1.223 309 W HN 0.371 nan 8.180 nan 0.000 0.421 310 V N 7.516 126.958 119.914 -0.786 0.000 2.483 310 V HA 0.501 4.621 4.120 -0.000 0.000 0.295 310 V C -0.038 175.602 176.094 -0.756 0.000 1.035 310 V CA -0.330 61.486 62.300 -0.808 0.000 0.896 310 V CB 1.326 32.225 31.823 -1.540 0.000 0.986 310 V HN 0.703 nan 8.190 nan 0.000 0.447 311 H N 2.126 121.104 119.070 -0.153 0.000 2.887 311 H HA 0.865 5.420 4.556 -0.000 0.000 0.290 311 H C -1.389 174.193 175.328 0.423 0.000 1.429 311 H CA -1.277 54.819 56.048 0.081 0.000 1.137 311 H CB 1.971 31.802 29.762 0.115 0.000 1.824 311 H HN 0.453 nan 8.280 nan 0.000 0.520 312 K N 1.198 121.713 120.400 0.192 0.000 2.579 312 K HA 0.251 4.570 4.320 -0.000 0.000 0.257 312 K C -1.267 175.459 176.600 0.209 0.000 0.950 312 K CA 0.106 56.455 56.287 0.103 0.000 0.862 312 K CB 1.963 34.500 32.500 0.061 0.000 1.317 312 K HN 0.932 nan 8.250 nan 0.000 0.436 313 T N -0.166 114.522 114.554 0.224 0.000 2.847 313 T HA 0.887 5.237 4.350 -0.000 0.000 0.279 313 T C 0.361 175.171 174.700 0.184 0.000 0.984 313 T CA -0.363 61.910 62.100 0.287 0.000 0.988 313 T CB 1.586 70.537 68.868 0.139 0.000 1.040 313 T HN 0.684 nan 8.240 nan 0.000 0.528 314 G N -1.049 107.855 108.800 0.174 0.000 2.702 314 G HA2 0.719 4.679 3.960 -0.000 0.000 0.296 314 G HA3 0.719 4.679 3.960 -0.000 0.000 0.296 314 G C -1.573 173.418 174.900 0.153 0.000 1.463 314 G CA -0.458 44.736 45.100 0.158 0.000 0.890 314 G HN 1.148 nan 8.290 nan 0.000 0.534 315 A N 0.205 123.109 122.820 0.138 0.000 2.612 315 A HA 1.009 5.329 4.320 -0.000 0.000 0.293 315 A C -0.080 177.587 177.584 0.139 0.000 1.075 315 A CA 0.173 52.302 52.037 0.153 0.000 0.680 315 A CB 1.644 20.703 19.000 0.099 0.000 1.279 315 A HN 2.075 nan 8.150 nan 0.000 0.411 316 T N -2.441 112.233 114.554 0.201 0.000 2.716 316 T HA 0.633 4.983 4.350 -0.000 0.000 0.286 316 T C 1.232 176.042 174.700 0.185 0.000 1.052 316 T CA 0.159 62.362 62.100 0.172 0.000 1.024 316 T CB 0.975 70.001 68.868 0.264 0.000 1.349 316 T HN 1.652 nan 8.240 nan 0.000 0.525 317 G N -0.396 108.500 108.800 0.159 0.000 2.432 317 G HA2 0.189 4.149 3.960 -0.000 0.000 0.219 317 G HA3 0.189 4.149 3.960 -0.000 0.000 0.219 317 G C 1.171 176.158 174.900 0.145 0.000 1.135 317 G CA 0.650 45.826 45.100 0.126 0.000 0.767 317 G HN 1.162 nan 8.290 nan 0.000 0.550 318 G N -1.291 107.638 108.800 0.217 0.000 3.192 318 G HA2 0.460 4.420 3.960 -0.000 0.000 0.239 318 G HA3 0.460 4.420 3.960 -0.000 0.000 0.239 318 G C -0.301 174.576 174.900 -0.037 0.000 1.084 318 G CA -0.436 44.695 45.100 0.052 0.000 0.784 318 G HN 0.198 nan 8.290 nan 0.000 0.540 319 F N -0.377 119.702 119.950 0.214 0.000 2.588 319 F HA 0.701 5.228 4.527 -0.000 0.000 0.314 319 F C 0.341 176.296 175.800 0.259 0.000 1.069 319 F CA -1.218 56.950 58.000 0.279 0.000 0.931 319 F CB 2.441 41.629 39.000 0.313 0.000 1.260 319 F HN -0.016 nan 8.300 nan 0.000 0.465 320 G N 0.768 109.882 108.800 0.523 0.000 2.702 320 G HA2 0.558 4.518 3.960 -0.000 0.000 0.295 320 G HA3 0.558 4.518 3.960 -0.000 0.000 0.295 320 G C -1.390 173.747 174.900 0.395 0.000 1.446 320 G CA -0.652 44.675 45.100 0.377 0.000 0.983 320 G HN 0.752 nan 8.290 nan 0.000 0.520 321 S N 1.020 116.899 115.700 0.298 0.000 2.671 321 S HA 0.876 5.346 4.470 -0.000 0.000 0.299 321 S C -1.410 173.393 174.600 0.338 0.000 1.116 321 S CA -1.044 57.336 58.200 0.301 0.000 0.912 321 S CB 2.487 65.848 63.200 0.270 0.000 1.130 321 S HN 1.181 nan 8.310 nan 0.000 0.501 322 Y N -0.298 120.117 120.300 0.193 0.000 2.474 322 Y HA 0.562 5.112 4.550 -0.000 0.000 0.326 322 Y C -2.131 173.924 175.900 0.258 0.000 1.160 322 Y CA -0.827 57.398 58.100 0.209 0.000 1.056 322 Y CB 1.222 39.804 38.460 0.203 0.000 1.330 322 Y HN 0.779 nan 8.280 nan 0.000 0.447 323 V N 4.377 124.120 119.914 -0.284 0.000 2.709 323 V HA 1.000 5.119 4.120 -0.000 0.000 0.308 323 V C -0.813 175.004 176.094 -0.462 0.000 1.062 323 V CA -0.239 61.974 62.300 -0.145 0.000 0.901 323 V CB 1.551 33.560 31.823 0.309 0.000 1.003 323 V HN 1.054 nan 8.190 nan 0.000 0.425 324 A N 4.588 127.180 122.820 -0.380 0.000 2.517 324 A HA 0.986 5.306 4.320 -0.000 0.000 0.297 324 A C -1.301 175.973 177.584 -0.516 0.000 1.050 324 A CA -0.491 51.164 52.037 -0.637 0.000 0.694 324 A CB 1.593 20.138 19.000 -0.758 0.000 1.277 324 A HN 1.415 nan 8.150 nan 0.000 0.400 325 F N -0.392 119.088 119.950 -0.784 0.000 2.668 325 F HA 0.831 5.358 4.527 -0.000 0.000 0.309 325 F C -1.262 174.169 175.800 -0.615 0.000 1.117 325 F CA -1.245 56.377 58.000 -0.630 0.000 0.951 325 F CB 1.401 40.096 39.000 -0.508 0.000 1.323 325 F HN 0.298 nan 8.300 nan 0.000 0.451 326 I N 2.679 123.052 120.570 -0.329 0.000 2.502 326 I HA 0.300 4.470 4.170 -0.000 0.000 0.276 326 I C -2.105 173.885 176.117 -0.211 0.000 1.057 326 I CA -1.875 59.205 61.300 -0.366 0.000 1.163 326 I CB 1.479 39.118 38.000 -0.600 0.000 1.288 326 I HN 0.387 nan 8.210 nan 0.000 0.479 327 P HA -0.271 nan 4.420 nan 0.000 0.216 327 P C 1.371 178.593 177.300 -0.131 0.000 1.167 327 P CA 1.364 64.412 63.100 -0.086 0.000 0.914 327 P CB 0.198 31.861 31.700 -0.061 0.000 0.793 328 E N -0.561 119.562 120.200 -0.128 0.000 2.510 328 E HA -0.197 4.152 4.350 -0.000 0.000 0.202 328 E C 0.835 177.347 176.600 -0.146 0.000 1.072 328 E CA 0.855 57.187 56.400 -0.113 0.000 0.883 328 E CB -0.163 29.497 29.700 -0.066 0.000 0.818 328 E HN 0.117 nan 8.360 nan 0.000 0.548 329 K N 0.366 120.639 120.400 -0.210 0.000 2.402 329 K HA 0.070 4.390 4.320 -0.000 0.000 0.204 329 K C -0.213 176.251 176.600 -0.227 0.000 1.056 329 K CA 0.082 56.230 56.287 -0.232 0.000 1.069 329 K CB 0.659 32.959 32.500 -0.334 0.000 0.888 329 K HN 0.148 nan 8.250 nan 0.000 0.546 330 E N 0.947 121.027 120.200 -0.200 0.000 2.328 330 E HA -0.238 4.112 4.350 -0.000 0.000 0.233 330 E C -0.626 175.857 176.600 -0.196 0.000 1.219 330 E CA 0.362 56.647 56.400 -0.192 0.000 0.717 330 E CB -1.512 28.073 29.700 -0.191 0.000 1.210 330 E HN 0.039 nan 8.360 nan 0.000 0.381 331 L N -0.158 120.951 121.223 -0.190 0.000 2.386 331 L HA 0.763 5.103 4.340 -0.000 0.000 0.271 331 L C 0.174 176.968 176.870 -0.127 0.000 0.993 331 L CA 0.112 54.864 54.840 -0.148 0.000 0.819 331 L CB 2.060 44.014 42.059 -0.175 0.000 1.294 331 L HN 0.092 nan 8.230 nan 0.000 0.414 332 G N 3.998 112.758 108.800 -0.067 0.000 2.684 332 G HA2 0.666 4.626 3.960 -0.000 0.000 0.290 332 G HA3 0.666 4.626 3.960 -0.000 0.000 0.290 332 G C -2.168 172.734 174.900 0.002 0.000 1.425 332 G CA -0.479 44.588 45.100 -0.054 0.000 0.822 332 G HN 0.753 nan 8.290 nan 0.000 0.482 333 I N 0.024 120.602 120.570 0.012 0.000 2.692 333 I HA 0.628 4.798 4.170 -0.000 0.000 0.293 333 I C -1.412 174.772 176.117 0.112 0.000 1.200 333 I CA -0.872 60.479 61.300 0.085 0.000 1.036 333 I CB 2.194 40.263 38.000 0.114 0.000 1.258 333 I HN 0.374 nan 8.210 nan 0.000 0.421 334 V N 7.704 127.718 119.914 0.167 0.000 2.540 334 V HA 0.547 4.667 4.120 -0.000 0.000 0.302 334 V C -0.422 175.800 176.094 0.213 0.000 1.035 334 V CA -0.425 61.990 62.300 0.191 0.000 0.873 334 V CB 1.863 33.810 31.823 0.207 0.000 0.992 334 V HN 0.669 nan 8.190 nan 0.000 0.428 335 M N 6.316 126.050 119.600 0.223 0.000 2.067 335 M HA 0.558 5.038 4.480 -0.000 0.000 0.286 335 M C -1.362 175.032 176.300 0.157 0.000 0.922 335 M CA -0.085 55.342 55.300 0.212 0.000 0.937 335 M CB 1.648 34.422 32.600 0.289 0.000 1.550 335 M HN 0.376 nan 8.290 nan 0.000 0.433 336 L N 2.863 124.064 121.223 -0.038 0.000 2.305 336 L HA 0.965 5.305 4.340 -0.000 0.000 0.284 336 L C -0.195 176.560 176.870 -0.192 0.000 1.013 336 L CA -0.684 54.006 54.840 -0.250 0.000 0.819 336 L CB 1.531 43.048 42.059 -0.903 0.000 1.227 336 L HN 0.740 nan 8.230 nan 0.000 0.417 337 A N 2.274 125.263 122.820 0.281 0.000 2.401 337 A HA 0.606 4.926 4.320 -0.000 0.000 0.310 337 A C -0.317 177.653 177.584 0.643 0.000 1.075 337 A CA -0.755 51.540 52.037 0.430 0.000 0.746 337 A CB 1.180 20.355 19.000 0.291 0.000 1.277 337 A HN 0.754 nan 8.150 nan 0.000 0.425 338 N N 1.282 120.282 118.700 0.501 0.000 2.994 338 N HA 0.249 4.988 4.740 -0.000 0.000 0.306 338 N C -0.631 174.866 175.510 -0.022 0.000 1.348 338 N CA -0.225 52.863 53.050 0.063 0.000 1.109 338 N CB 0.168 38.663 38.487 0.013 0.000 1.415 338 N HN 0.627 nan 8.380 nan 0.000 0.529 339 K N 0.106 120.581 120.400 0.124 0.000 2.580 339 K HA 0.174 4.494 4.320 -0.000 0.000 0.258 339 K C -1.837 174.946 176.600 0.306 0.000 0.936 339 K CA -0.625 55.758 56.287 0.161 0.000 0.852 339 K CB 0.918 33.504 32.500 0.144 0.000 1.329 339 K HN 0.003 nan 8.250 nan 0.000 0.430 340 N N 4.087 122.940 118.700 0.254 0.000 2.508 340 N HA 0.117 4.857 4.740 -0.000 0.000 0.253 340 N C -1.330 174.336 175.510 0.260 0.000 1.145 340 N CA -0.093 53.111 53.050 0.255 0.000 0.973 340 N CB -0.097 38.491 38.487 0.169 0.000 1.305 340 N HN 0.464 nan 8.380 nan 0.000 0.506 341 Y N 1.550 121.900 120.300 0.085 0.000 2.488 341 Y HA 0.732 5.282 4.550 -0.000 0.000 0.325 341 Y C -2.485 173.443 175.900 0.047 0.000 1.204 341 Y CA -3.669 54.464 58.100 0.056 0.000 1.229 341 Y CB -0.820 37.668 38.460 0.046 0.000 1.274 341 Y HN 0.270 nan 8.280 nan 0.000 0.493 342 P HA -0.032 nan 4.420 nan 0.000 0.260 342 P C 0.240 177.404 177.300 -0.228 0.000 1.172 342 P CA 0.451 63.498 63.100 -0.089 0.000 0.760 342 P CB 0.621 32.321 31.700 0.001 0.000 0.773 343 N N 5.046 123.626 118.700 -0.200 0.000 2.060 343 N HA -0.162 4.578 4.740 -0.000 0.000 0.195 343 N C -0.845 174.550 175.510 -0.191 0.000 1.028 343 N CA 1.875 54.793 53.050 -0.220 0.000 0.861 343 N CB -1.857 36.550 38.487 -0.132 0.000 1.029 343 N HN 0.453 nan 8.380 nan 0.000 0.428 344 P HA -0.076 nan 4.420 nan 0.000 0.218 344 P C 0.969 178.237 177.300 -0.054 0.000 1.146 344 P CA 1.440 64.492 63.100 -0.080 0.000 0.813 344 P CB -0.050 31.620 31.700 -0.049 0.000 0.778 345 A N -0.441 122.362 122.820 -0.028 0.000 1.968 345 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 345 A C 2.166 179.805 177.584 0.091 0.000 1.169 345 A CA 0.988 53.067 52.037 0.070 0.000 0.638 345 A CB -0.703 18.410 19.000 0.188 0.000 0.812 345 A HN 0.107 nan 8.150 nan 0.000 0.446 346 R N -0.482 119.984 120.500 -0.056 0.000 2.062 346 R HA -0.054 4.285 4.340 -0.000 0.000 0.231 346 R C 1.991 178.212 176.300 -0.132 0.000 1.136 346 R CA 1.499 57.561 56.100 -0.063 0.000 0.948 346 R CB -0.752 29.376 30.300 -0.286 0.000 0.845 346 R HN 0.346 nan 8.270 nan 0.000 0.430 347 V N 1.993 121.718 119.914 -0.316 0.000 2.343 347 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 347 V C 2.212 178.384 176.094 0.131 0.000 1.051 347 V CA 1.952 64.144 62.300 -0.181 0.000 1.036 347 V CB -0.595 31.128 31.823 -0.167 0.000 0.654 347 V HN 0.363 nan 8.190 nan 0.000 0.451 348 D N 0.483 120.934 120.400 0.085 0.000 2.104 348 D HA -0.199 4.440 4.640 -0.000 0.000 0.194 348 D C 2.196 178.646 176.300 0.250 0.000 0.994 348 D CA 1.887 55.983 54.000 0.160 0.000 0.830 348 D CB 0.093 40.946 40.800 0.089 0.000 0.959 348 D HN 0.387 nan 8.370 nan 0.000 0.452 349 A N 1.138 124.073 122.820 0.192 0.000 1.865 349 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 349 A C 2.489 180.216 177.584 0.238 0.000 1.191 349 A CA 2.850 54.996 52.037 0.182 0.000 0.623 349 A CB -1.046 18.046 19.000 0.153 0.000 0.826 349 A HN 0.352 nan 8.150 nan 0.000 0.444 350 A N -1.026 122.001 122.820 0.346 0.000 1.908 350 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 350 A C 2.130 180.012 177.584 0.497 0.000 1.181 350 A CA 1.611 53.928 52.037 0.467 0.000 0.627 350 A CB -1.005 18.463 19.000 0.780 0.000 0.818 350 A HN 0.947 nan 8.150 nan 0.000 0.445 351 W N 0.472 122.019 121.300 0.412 0.000 2.358 351 W HA -0.209 4.451 4.660 -0.000 0.000 0.303 351 W C 1.743 178.403 176.519 0.234 0.000 1.208 351 W CA 2.173 59.714 57.345 0.327 0.000 1.274 351 W CB -0.483 29.018 29.460 0.068 0.000 1.138 351 W HN 0.397 nan 8.180 nan 0.000 0.515 352 Q N 0.920 120.687 119.800 -0.055 0.000 2.135 352 Q HA -0.160 4.179 4.340 -0.000 0.000 0.204 352 Q C 2.192 178.101 176.000 -0.152 0.000 0.981 352 Q CA 2.453 58.183 55.803 -0.122 0.000 0.856 352 Q CB -0.831 27.956 28.738 0.082 0.000 0.902 352 Q HN 0.506 nan 8.270 nan 0.000 0.425 353 I N -0.893 119.650 120.570 -0.046 0.000 2.235 353 I HA -0.209 3.961 4.170 -0.000 0.000 0.241 353 I C 1.924 178.008 176.117 -0.055 0.000 1.085 353 I CA 0.653 61.931 61.300 -0.036 0.000 1.378 353 I CB -0.228 37.780 38.000 0.014 0.000 1.076 353 I HN 0.127 nan 8.210 nan 0.000 0.415 354 L N 0.554 121.770 121.223 -0.012 0.000 2.141 354 L HA -0.200 4.139 4.340 -0.000 0.000 0.209 354 L C 2.337 179.141 176.870 -0.110 0.000 1.094 354 L CA 1.251 56.081 54.840 -0.016 0.000 0.763 354 L CB -0.789 41.322 42.059 0.086 0.000 0.908 354 L HN 0.441 nan 8.230 nan 0.000 0.437 355 N N 0.514 119.019 118.700 -0.325 0.000 2.331 355 N HA -0.107 4.633 4.740 -0.000 0.000 0.180 355 N C 1.737 177.134 175.510 -0.187 0.000 1.019 355 N CA 1.095 53.898 53.050 -0.411 0.000 0.881 355 N CB 0.319 38.078 38.487 -1.215 0.000 0.972 355 N HN 0.279 nan 8.380 nan 0.000 0.435 356 A N 0.712 123.438 122.820 -0.156 0.000 2.067 356 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 356 A C 2.066 179.631 177.584 -0.032 0.000 1.156 356 A CA 0.391 52.384 52.037 -0.074 0.000 0.683 356 A CB -0.181 18.778 19.000 -0.068 0.000 0.808 356 A HN 0.282 nan 8.150 nan 0.000 0.455 357 L N -1.626 119.585 121.223 -0.021 0.000 2.558 357 L HA 0.293 4.633 4.340 -0.000 0.000 0.225 357 L C 1.178 178.107 176.870 0.098 0.000 1.128 357 L CA 0.648 55.519 54.840 0.050 0.000 0.868 357 L CB -0.510 41.594 42.059 0.076 0.000 1.006 357 L HN 0.698 nan 8.230 nan 0.000 0.454 358 Q N 0.000 119.828 119.800 0.047 0.000 2.315 358 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 358 Q CA 0.000 55.838 55.803 0.059 0.000 1.022 358 Q CB 0.000 28.746 28.738 0.013 0.000 1.108 358 Q HN 0.000 nan 8.270 nan 0.000 0.481