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 1iel_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.460 177.584 -0.207 0.000 1.274 4 A CA 0.000 51.963 52.037 -0.123 0.000 0.836 4 A CB 0.000 18.919 19.000 -0.134 0.000 0.831 5 P HA 0.024 nan 4.420 nan 0.000 0.265 5 P C 0.876 178.061 177.300 -0.191 0.000 1.187 5 P CA -0.000 62.951 63.100 -0.248 0.000 0.766 5 P CB 0.630 32.126 31.700 -0.341 0.000 0.820 6 Q N 3.054 122.784 119.800 -0.116 0.000 2.152 6 Q HA -0.306 4.034 4.340 -0.000 0.000 0.206 6 Q C 2.188 178.132 176.000 -0.092 0.000 0.985 6 Q CA 2.827 58.585 55.803 -0.076 0.000 0.863 6 Q CB -0.623 28.085 28.738 -0.050 0.000 0.904 6 Q HN 0.604 nan 8.270 nan 0.000 0.422 7 Q N 0.738 120.453 119.800 -0.142 0.000 2.061 7 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 7 Q C 2.162 178.054 176.000 -0.180 0.000 0.984 7 Q CA 1.956 57.664 55.803 -0.159 0.000 0.846 7 Q CB -0.865 27.744 28.738 -0.215 0.000 0.902 7 Q HN 0.635 nan 8.270 nan 0.000 0.421 8 I N 0.608 121.027 120.570 -0.252 0.000 2.202 8 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 8 I C 2.147 178.215 176.117 -0.081 0.000 1.091 8 I CA 1.160 62.339 61.300 -0.203 0.000 1.368 8 I CB -0.351 37.483 38.000 -0.277 0.000 1.058 8 I HN 0.414 nan 8.210 nan 0.000 0.410 9 N N 0.866 119.578 118.700 0.019 0.000 2.104 9 N HA -0.240 4.500 4.740 -0.000 0.000 0.190 9 N C 1.504 177.037 175.510 0.038 0.000 1.024 9 N CA 1.784 54.902 53.050 0.112 0.000 0.853 9 N CB -0.530 38.025 38.487 0.113 0.000 1.008 9 N HN 0.408 nan 8.380 nan 0.000 0.424 10 D N 0.527 120.933 120.400 0.010 0.000 2.084 10 D HA -0.083 4.557 4.640 -0.000 0.000 0.196 10 D C 1.876 178.190 176.300 0.024 0.000 0.985 10 D CA 0.512 54.533 54.000 0.035 0.000 0.826 10 D CB -0.150 40.654 40.800 0.007 0.000 0.978 10 D HN 0.072 nan 8.370 nan 0.000 0.456 11 I N -0.245 120.306 120.570 -0.031 0.000 2.394 11 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 11 I C 2.047 178.137 176.117 -0.045 0.000 1.136 11 I CA 0.772 62.048 61.300 -0.039 0.000 1.425 11 I CB -0.103 37.861 38.000 -0.060 0.000 1.079 11 I HN -0.019 nan 8.210 nan 0.000 0.425 12 V N -0.001 119.844 119.914 -0.116 0.000 2.307 12 V HA -0.300 3.820 4.120 -0.000 0.000 0.245 12 V C 2.517 178.645 176.094 0.057 0.000 1.045 12 V CA 2.185 64.385 62.300 -0.165 0.000 1.024 12 V CB -1.028 30.388 31.823 -0.679 0.000 0.651 12 V HN 0.530 nan 8.190 nan 0.000 0.449 13 H N 0.787 119.853 119.070 -0.006 0.000 2.353 13 H HA -0.095 4.461 4.556 -0.000 0.000 0.300 13 H C 2.412 177.794 175.328 0.091 0.000 1.090 13 H CA 1.912 58.033 56.048 0.122 0.000 1.327 13 H CB -0.111 29.704 29.762 0.088 0.000 1.383 13 H HN 0.229 nan 8.280 nan 0.000 0.508 14 R N -1.034 119.462 120.500 -0.008 0.000 2.189 14 R HA -0.038 4.302 4.340 -0.000 0.000 0.223 14 R C 1.576 177.840 176.300 -0.059 0.000 1.092 14 R CA 1.572 57.619 56.100 -0.089 0.000 0.989 14 R CB 0.227 30.506 30.300 -0.036 0.000 0.876 14 R HN 0.394 nan 8.270 nan 0.000 0.457 15 T N 0.248 114.789 114.554 -0.022 0.000 3.044 15 T HA 0.109 4.459 4.350 -0.000 0.000 0.237 15 T C 1.744 176.415 174.700 -0.048 0.000 1.001 15 T CA 0.217 62.307 62.100 -0.017 0.000 1.160 15 T CB 0.203 69.077 68.868 0.010 0.000 0.889 15 T HN -0.036 nan 8.240 nan 0.000 0.442 16 I N 2.250 122.784 120.570 -0.060 0.000 2.277 16 I HA -0.058 4.112 4.170 -0.000 0.000 0.243 16 I C 2.603 178.520 176.117 -0.333 0.000 1.094 16 I CA 1.347 62.513 61.300 -0.223 0.000 1.393 16 I CB -1.878 35.916 38.000 -0.343 0.000 1.078 16 I HN 0.237 nan 8.210 nan 0.000 0.417 17 T N 2.121 116.607 114.554 -0.113 0.000 2.720 17 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 17 T C -0.299 174.326 174.700 -0.125 0.000 1.037 17 T CA 1.675 63.744 62.100 -0.051 0.000 1.144 17 T CB -1.313 67.700 68.868 0.242 0.000 0.864 17 T HN 0.237 nan 8.240 nan 0.000 0.444 18 P HA 0.053 nan 4.420 nan 0.000 0.219 18 P C 1.633 178.863 177.300 -0.116 0.000 1.150 18 P CA 0.347 63.388 63.100 -0.098 0.000 0.814 18 P CB -0.136 31.516 31.700 -0.080 0.000 0.787 19 L N -0.395 120.742 121.223 -0.144 0.000 2.012 19 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 19 L C 2.117 178.842 176.870 -0.241 0.000 1.073 19 L CA 1.897 56.640 54.840 -0.162 0.000 0.748 19 L CB -1.207 40.755 42.059 -0.162 0.000 0.891 19 L HN -0.132 nan 8.230 nan 0.000 0.431 20 I N -0.454 119.930 120.570 -0.310 0.000 2.264 20 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 20 I C 2.403 178.402 176.117 -0.197 0.000 1.111 20 I CA 1.081 62.190 61.300 -0.319 0.000 1.382 20 I CB -0.411 37.347 38.000 -0.403 0.000 1.060 20 I HN 0.348 nan 8.210 nan 0.000 0.418 21 E N 0.493 120.607 120.200 -0.143 0.000 2.072 21 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 21 E C 2.170 178.722 176.600 -0.080 0.000 0.985 21 E CA 1.164 57.512 56.400 -0.087 0.000 0.801 21 E CB -0.292 29.374 29.700 -0.058 0.000 0.750 21 E HN 0.587 nan 8.360 nan 0.000 0.452 22 Q N 0.134 119.881 119.800 -0.087 0.000 2.079 22 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 22 Q C 1.929 177.889 176.000 -0.067 0.000 0.974 22 Q CA 1.006 56.771 55.803 -0.064 0.000 0.840 22 Q CB 0.125 28.831 28.738 -0.053 0.000 0.898 22 Q HN 0.149 nan 8.270 nan 0.000 0.430 23 Q N -0.397 119.333 119.800 -0.117 0.000 2.392 23 Q HA 0.055 4.395 4.340 -0.000 0.000 0.203 23 Q C 0.299 176.234 176.000 -0.109 0.000 0.917 23 Q CA 0.972 56.702 55.803 -0.122 0.000 0.939 23 Q CB 0.544 29.115 28.738 -0.279 0.000 1.063 23 Q HN 0.376 nan 8.270 nan 0.000 0.516 24 K N 0.918 121.253 120.400 -0.108 0.000 3.150 24 K HA -0.189 4.131 4.320 -0.000 0.000 0.267 24 K C -0.025 176.519 176.600 -0.092 0.000 1.028 24 K CA 0.930 57.167 56.287 -0.083 0.000 0.753 24 K CB -2.927 29.543 32.500 -0.049 0.000 1.288 24 K HN 0.365 nan 8.250 nan 0.000 0.473 25 I N 0.084 120.569 120.570 -0.142 0.000 2.396 25 I HA 0.141 4.311 4.170 -0.000 0.000 0.289 25 I C -0.836 175.245 176.117 -0.059 0.000 1.056 25 I CA -2.218 59.011 61.300 -0.118 0.000 1.365 25 I CB 1.694 39.559 38.000 -0.225 0.000 1.407 25 I HN 0.182 nan 8.210 nan 0.000 0.509 26 P HA -0.034 nan 4.420 nan 0.000 0.216 26 P C 0.332 177.674 177.300 0.070 0.000 1.153 26 P CA 0.547 63.633 63.100 -0.024 0.000 0.848 26 P CB 0.273 31.894 31.700 -0.131 0.000 0.787 27 G N -1.568 107.330 108.800 0.164 0.000 2.733 27 G HA2 0.670 4.630 3.960 -0.000 0.000 0.297 27 G HA3 0.670 4.630 3.960 -0.000 0.000 0.297 27 G C -1.946 173.182 174.900 0.380 0.000 1.422 27 G CA -0.354 44.910 45.100 0.274 0.000 0.942 27 G HN 0.039 nan 8.290 nan 0.000 0.510 28 M N 1.007 120.868 119.600 0.436 0.000 2.465 28 M HA 0.718 5.198 4.480 -0.000 0.000 0.284 28 M C -1.513 175.106 176.300 0.531 0.000 1.212 28 M CA -0.565 54.967 55.300 0.386 0.000 0.910 28 M CB 2.281 34.922 32.600 0.068 0.000 1.725 28 M HN 1.098 nan 8.290 nan 0.000 0.477 29 A N 3.182 126.198 122.820 0.327 0.000 2.393 29 A HA 0.881 5.201 4.320 -0.000 0.000 0.306 29 A C -1.771 176.014 177.584 0.334 0.000 1.050 29 A CA -0.615 51.654 52.037 0.387 0.000 0.724 29 A CB 1.805 20.971 19.000 0.277 0.000 1.248 29 A HN 0.626 nan 8.150 nan 0.000 0.424 30 V N 0.865 121.098 119.914 0.531 0.000 2.709 30 V HA 0.800 4.920 4.120 -0.000 0.000 0.308 30 V C 0.058 176.468 176.094 0.528 0.000 1.062 30 V CA -0.219 62.368 62.300 0.477 0.000 0.901 30 V CB 1.879 34.021 31.823 0.532 0.000 1.003 30 V HN 1.447 nan 8.190 nan 0.000 0.425 31 A N 3.812 126.859 122.820 0.379 0.000 2.355 31 A HA 0.903 5.223 4.320 -0.000 0.000 0.317 31 A C -1.179 176.539 177.584 0.222 0.000 1.094 31 A CA -0.580 51.618 52.037 0.269 0.000 0.764 31 A CB 1.851 20.973 19.000 0.205 0.000 1.230 31 A HN 0.683 nan 8.150 nan 0.000 0.448 32 V N 3.459 123.513 119.914 0.232 0.000 2.409 32 V HA 0.340 4.460 4.120 -0.000 0.000 0.291 32 V C -0.894 175.315 176.094 0.192 0.000 1.020 32 V CA -0.316 62.121 62.300 0.229 0.000 0.848 32 V CB 1.330 33.332 31.823 0.298 0.000 0.990 32 V HN 0.731 nan 8.190 nan 0.000 0.430 33 I N 5.896 126.534 120.570 0.113 0.000 2.325 33 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 33 I C -0.617 175.607 176.117 0.177 0.000 1.019 33 I CA -0.280 61.062 61.300 0.069 0.000 1.302 33 I CB 0.685 38.660 38.000 -0.042 0.000 1.401 33 I HN 0.565 nan 8.210 nan 0.000 0.485 34 Y N 5.208 125.589 120.300 0.134 0.000 2.361 34 Y HA 0.345 4.895 4.550 0.000 0.000 0.337 34 Y C 0.300 176.256 175.900 0.094 0.000 0.965 34 Y CA -1.039 57.133 58.100 0.120 0.000 1.091 34 Y CB 1.172 39.734 38.460 0.169 0.000 1.182 34 Y HN 0.672 nan 8.280 nan 0.000 0.450 35 Q N 4.576 124.056 119.800 -0.534 0.000 2.435 35 Q HA -0.265 4.075 4.340 -0.000 0.000 0.312 35 Q C 1.135 177.035 176.000 -0.167 0.000 1.333 35 Q CA 1.220 56.794 55.803 -0.382 0.000 0.883 35 Q CB -1.403 27.080 28.738 -0.425 0.000 1.170 35 Q HN 1.337 nan 8.270 nan 0.000 0.443 36 G N -2.714 106.002 108.800 -0.139 0.000 2.189 36 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.267 36 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.267 36 G C 0.165 175.009 174.900 -0.094 0.000 0.975 36 G CA 0.954 45.985 45.100 -0.114 0.000 0.644 36 G HN 0.804 nan 8.290 nan 0.000 0.537 37 K N 1.192 121.557 120.400 -0.059 0.000 2.164 37 K HA 0.860 5.180 4.320 -0.000 0.000 0.258 37 K C -2.568 173.856 176.600 -0.294 0.000 0.951 37 K CA -1.424 54.775 56.287 -0.146 0.000 0.844 37 K CB 1.796 34.229 32.500 -0.111 0.000 1.099 37 K HN 0.248 nan 8.250 nan 0.000 0.435 38 P HA 0.422 nan 4.420 nan 0.000 0.290 38 P C -1.417 175.211 177.300 -1.120 0.000 1.276 38 P CA -0.291 62.432 63.100 -0.628 0.000 0.808 38 P CB 0.440 31.847 31.700 -0.489 0.000 0.966 39 Y N 1.521 121.544 120.300 -0.462 0.000 2.373 39 Y HA 0.427 4.977 4.550 -0.000 0.000 0.336 39 Y C -0.050 175.509 175.900 -0.567 0.000 0.979 39 Y CA -0.459 57.394 58.100 -0.413 0.000 1.080 39 Y CB 1.736 40.143 38.460 -0.089 0.000 1.190 39 Y HN 0.297 nan 8.280 nan 0.000 0.446 40 Y N 2.549 122.683 120.300 -0.277 0.000 2.446 40 Y HA 0.727 5.277 4.550 -0.000 0.000 0.338 40 Y C -0.937 174.548 175.900 -0.692 0.000 1.055 40 Y CA -1.298 56.654 58.100 -0.246 0.000 1.101 40 Y CB 1.561 39.961 38.460 -0.101 0.000 1.221 40 Y HN 0.385 nan 8.280 nan 0.000 0.460 41 F N 0.140 120.217 119.950 0.213 0.000 2.581 41 F HA 0.635 5.162 4.527 -0.000 0.000 0.311 41 F C -0.337 175.447 175.800 -0.026 0.000 1.113 41 F CA -0.910 57.051 58.000 -0.066 0.000 0.935 41 F CB 2.496 41.433 39.000 -0.105 0.000 1.232 41 F HN 0.422 nan 8.300 nan 0.000 0.445 42 T N -1.612 112.857 114.554 -0.141 0.000 2.896 42 T HA 0.691 5.041 4.350 -0.000 0.000 0.297 42 T C -1.535 173.159 174.700 -0.011 0.000 1.108 42 T CA -0.783 61.408 62.100 0.151 0.000 1.004 42 T CB 2.052 71.015 68.868 0.158 0.000 1.159 42 T HN 0.643 nan 8.240 nan 0.000 0.499 43 W N -0.164 121.224 121.300 0.146 0.000 3.213 43 W HA 0.483 5.143 4.660 -0.000 0.000 0.318 43 W C 0.811 177.351 176.519 0.036 0.000 1.248 43 W CA -0.307 57.084 57.345 0.077 0.000 1.187 43 W CB 1.622 31.129 29.460 0.077 0.000 1.403 43 W HN 1.371 nan 8.180 nan 0.000 0.556 44 G N 1.119 110.004 108.800 0.142 0.000 2.578 44 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.275 44 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.275 44 G C -1.357 173.476 174.900 -0.111 0.000 1.271 44 G CA 0.007 45.035 45.100 -0.119 0.000 0.941 44 G HN 0.555 nan 8.290 nan 0.000 0.564 45 Y N -0.271 120.114 120.300 0.142 0.000 2.446 45 Y HA 0.567 5.117 4.550 -0.000 0.000 0.338 45 Y C 1.350 177.347 175.900 0.161 0.000 1.055 45 Y CA -0.426 57.751 58.100 0.128 0.000 1.101 45 Y CB 1.982 40.488 38.460 0.077 0.000 1.221 45 Y HN 0.749 nan 8.280 nan 0.000 0.460 46 A N 0.565 123.587 122.820 0.338 0.000 1.975 46 A HA -0.016 4.304 4.320 -0.000 0.000 0.215 46 A C 0.157 177.928 177.584 0.311 0.000 1.170 46 A CA 1.148 53.321 52.037 0.226 0.000 0.656 46 A CB 0.102 19.181 19.000 0.132 0.000 0.821 46 A HN 0.672 nan 8.150 nan 0.000 0.449 47 D N -0.959 119.623 120.400 0.303 0.000 2.476 47 D HA 0.394 5.034 4.640 -0.000 0.000 0.251 47 D C 0.639 177.002 176.300 0.104 0.000 1.291 47 D CA -0.439 53.746 54.000 0.309 0.000 0.939 47 D CB 0.756 41.720 40.800 0.274 0.000 1.221 47 D HN 0.134 nan 8.370 nan 0.000 0.567 48 I N 2.183 122.820 120.570 0.112 0.000 2.179 48 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 48 I C 2.438 178.439 176.117 -0.194 0.000 1.088 48 I CA 1.291 62.527 61.300 -0.105 0.000 1.357 48 I CB -0.091 37.795 38.000 -0.190 0.000 1.051 48 I HN 0.437 nan 8.210 nan 0.000 0.409 49 A N 0.956 123.712 122.820 -0.107 0.000 1.902 49 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 49 A C 2.495 179.996 177.584 -0.138 0.000 1.181 49 A CA 2.454 54.418 52.037 -0.121 0.000 0.623 49 A CB -0.840 18.093 19.000 -0.113 0.000 0.818 49 A HN 0.413 nan 8.150 nan 0.000 0.443 50 K N -1.742 118.587 120.400 -0.119 0.000 2.459 50 K HA 0.401 4.721 4.320 -0.000 0.000 0.193 50 K C 1.270 177.755 176.600 -0.192 0.000 1.030 50 K CA 1.966 58.192 56.287 -0.103 0.000 1.026 50 K CB -1.510 30.977 32.500 -0.022 0.000 0.809 50 K HN 1.682 nan 8.250 nan 0.000 0.504 51 K N -1.060 119.099 120.400 -0.403 0.000 3.035 51 K HA -0.106 4.214 4.320 -0.000 0.000 0.262 51 K C 0.411 176.767 176.600 -0.407 0.000 1.024 51 K CA 1.994 57.774 56.287 -0.845 0.000 0.748 51 K CB -3.159 29.001 32.500 -0.566 0.000 1.247 51 K HN 1.872 nan 8.250 nan 0.000 0.482 52 Q N 0.845 120.561 119.800 -0.139 0.000 2.295 52 Q HA 0.601 4.941 4.340 -0.000 0.000 0.259 52 Q C -1.396 174.772 176.000 0.279 0.000 0.976 52 Q CA -1.396 54.456 55.803 0.081 0.000 0.923 52 Q CB 0.252 29.044 28.738 0.090 0.000 1.185 52 Q HN 0.636 nan 8.270 nan 0.000 0.410 53 P HA 0.305 nan 4.420 nan 0.000 0.276 53 P C -0.482 176.960 177.300 0.238 0.000 1.252 53 P CA -0.366 62.939 63.100 0.341 0.000 0.802 53 P CB 0.960 32.799 31.700 0.231 0.000 1.035 54 V N 1.649 121.707 119.914 0.241 0.000 2.614 54 V HA 0.287 4.407 4.120 -0.000 0.000 0.291 54 V C 1.179 177.391 176.094 0.197 0.000 1.049 54 V CA 0.632 63.085 62.300 0.254 0.000 1.038 54 V CB 0.519 32.574 31.823 0.386 0.000 0.980 54 V HN 0.902 nan 8.190 nan 0.000 0.481 55 T N 1.087 115.741 114.554 0.167 0.000 2.831 55 T HA 0.323 4.673 4.350 -0.000 0.000 0.287 55 T C 0.497 175.245 174.700 0.081 0.000 1.070 55 T CA -0.643 61.513 62.100 0.092 0.000 1.010 55 T CB 1.649 70.541 68.868 0.041 0.000 1.264 55 T HN 0.399 nan 8.240 nan 0.000 0.532 56 Q N -0.452 119.333 119.800 -0.026 0.000 2.364 56 Q HA -0.042 4.298 4.340 -0.000 0.000 0.209 56 Q C 1.766 177.711 176.000 -0.091 0.000 0.977 56 Q CA 1.262 56.990 55.803 -0.125 0.000 0.885 56 Q CB -0.069 28.500 28.738 -0.283 0.000 0.941 56 Q HN 0.616 nan 8.270 nan 0.000 0.464 57 Q N -0.806 118.952 119.800 -0.070 0.000 2.282 57 Q HA 0.085 4.425 4.340 -0.000 0.000 0.206 57 Q C -0.274 175.711 176.000 -0.025 0.000 0.878 57 Q CA 0.012 55.742 55.803 -0.122 0.000 0.944 57 Q CB 0.958 29.591 28.738 -0.175 0.000 1.100 57 Q HN 0.091 nan 8.270 nan 0.000 0.509 58 T N 1.759 116.357 114.554 0.074 0.000 2.834 58 T HA 0.210 4.560 4.350 -0.000 0.000 0.298 58 T C -0.196 174.586 174.700 0.137 0.000 0.966 58 T CA -0.060 62.090 62.100 0.085 0.000 1.141 58 T CB 0.388 69.313 68.868 0.095 0.000 0.905 58 T HN 0.018 nan 8.240 nan 0.000 0.535 59 L N 4.241 125.497 121.223 0.055 0.000 2.326 59 L HA 0.522 4.862 4.340 -0.000 0.000 0.278 59 L C -0.349 176.550 176.870 0.049 0.000 1.092 59 L CA -0.107 54.779 54.840 0.076 0.000 0.810 59 L CB 0.370 42.379 42.059 -0.083 0.000 1.153 59 L HN 0.525 nan 8.230 nan 0.000 0.439 60 F N 0.414 120.392 119.950 0.047 0.000 2.538 60 F HA 0.412 4.939 4.527 -0.000 0.000 0.325 60 F C 0.429 176.012 175.800 -0.362 0.000 1.066 60 F CA -0.890 57.097 58.000 -0.022 0.000 0.946 60 F CB 1.402 40.522 39.000 0.201 0.000 1.199 60 F HN 0.391 nan 8.300 nan 0.000 0.473 61 E N 2.545 122.252 120.200 -0.821 0.000 2.257 61 E HA 0.169 4.519 4.350 -0.000 0.000 0.278 61 E C 0.532 177.050 176.600 -0.137 0.000 1.049 61 E CA -0.045 56.037 56.400 -0.531 0.000 0.876 61 E CB 0.813 30.070 29.700 -0.739 0.000 1.035 61 E HN 0.613 nan 8.360 nan 0.000 0.419 62 L N 2.970 124.196 121.223 0.005 0.000 2.395 62 L HA 0.043 4.383 4.340 -0.000 0.000 0.218 62 L C 1.393 178.364 176.870 0.167 0.000 1.130 62 L CA 0.542 55.454 54.840 0.120 0.000 0.826 62 L CB -0.853 41.285 42.059 0.132 0.000 0.941 62 L HN 0.893 nan 8.230 nan 0.000 0.451 63 G N 0.282 109.185 108.800 0.171 0.000 2.566 63 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.280 63 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.280 63 G C 0.729 175.783 174.900 0.257 0.000 1.225 63 G CA 0.248 45.483 45.100 0.224 0.000 0.966 63 G HN 0.189 nan 8.290 nan 0.000 0.560 64 S N -0.169 115.679 115.700 0.247 0.000 2.547 64 S HA 0.063 4.533 4.470 -0.000 0.000 0.235 64 S C 2.314 177.047 174.600 0.221 0.000 0.980 64 S CA 1.168 59.531 58.200 0.270 0.000 0.941 64 S CB -0.022 63.372 63.200 0.323 0.000 0.763 64 S HN 0.763 nan 8.310 nan 0.000 0.532 65 V N 1.724 121.754 119.914 0.192 0.000 2.867 65 V HA -0.130 3.990 4.120 -0.000 0.000 0.260 65 V C 2.085 178.273 176.094 0.157 0.000 1.099 65 V CA 1.440 63.827 62.300 0.145 0.000 1.122 65 V CB -0.759 31.171 31.823 0.179 0.000 0.708 65 V HN 0.465 nan 8.190 nan 0.000 0.490 66 S N -0.224 115.609 115.700 0.222 0.000 2.419 66 S HA -0.196 4.274 4.470 -0.000 0.000 0.233 66 S C 1.858 176.607 174.600 0.249 0.000 1.016 66 S CA 1.092 59.464 58.200 0.287 0.000 0.974 66 S CB -0.250 63.065 63.200 0.192 0.000 0.786 66 S HN 0.643 nan 8.310 nan 0.000 0.492 67 K N 1.102 121.602 120.400 0.167 0.000 2.360 67 K HA -0.077 4.243 4.320 -0.000 0.000 0.201 67 K C 2.359 178.976 176.600 0.029 0.000 1.046 67 K CA 1.495 57.863 56.287 0.135 0.000 0.945 67 K CB -0.425 32.174 32.500 0.166 0.000 0.750 67 K HN 0.607 nan 8.250 nan 0.000 0.464 68 T N -1.309 113.160 114.554 -0.143 0.000 2.904 68 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 68 T C 1.705 176.365 174.700 -0.068 0.000 1.059 68 T CA 0.760 62.580 62.100 -0.467 0.000 1.137 68 T CB -0.313 67.870 68.868 -1.141 0.000 0.879 68 T HN 0.011 nan 8.240 nan 0.000 0.467 69 F N 2.120 122.104 119.950 0.057 0.000 2.163 69 F HA 0.080 4.607 4.527 -0.000 0.000 0.297 69 F C 2.973 178.814 175.800 0.068 0.000 1.094 69 F CA 1.179 59.172 58.000 -0.010 0.000 1.290 69 F CB -1.067 37.805 39.000 -0.213 0.000 1.017 69 F HN 0.129 nan 8.300 nan 0.000 0.483 70 T N -0.584 114.153 114.554 0.305 0.000 2.746 70 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 70 T C 2.379 177.257 174.700 0.298 0.000 1.039 70 T CA 1.427 63.725 62.100 0.330 0.000 1.142 70 T CB -1.008 68.056 68.868 0.326 0.000 0.866 70 T HN 0.429 nan 8.240 nan 0.000 0.444 71 G N 0.918 109.862 108.800 0.241 0.000 2.418 71 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 71 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 71 G C 1.693 176.751 174.900 0.262 0.000 1.158 71 G CA 0.769 46.012 45.100 0.238 0.000 0.771 71 G HN 0.431 nan 8.290 nan 0.000 0.545 72 V N 0.501 120.577 119.914 0.271 0.000 2.515 72 V HA -0.093 4.027 4.120 -0.000 0.000 0.250 72 V C 2.659 178.870 176.094 0.194 0.000 1.058 72 V CA 1.507 63.977 62.300 0.284 0.000 1.064 72 V CB -0.211 31.884 31.823 0.452 0.000 0.675 72 V HN 0.349 nan 8.190 nan 0.000 0.461 73 L N 1.152 122.459 121.223 0.139 0.000 2.056 73 L HA 0.033 4.373 4.340 -0.000 0.000 0.207 73 L C 2.336 179.213 176.870 0.012 0.000 1.078 73 L CA 2.394 57.235 54.840 0.003 0.000 0.749 73 L CB -1.268 40.708 42.059 -0.139 0.000 0.901 73 L HN 0.254 nan 8.230 nan 0.000 0.433 74 G N -0.994 107.865 108.800 0.098 0.000 2.421 74 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 74 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 74 G C 1.546 176.544 174.900 0.164 0.000 1.171 74 G CA 0.573 45.742 45.100 0.115 0.000 0.775 74 G HN 0.585 nan 8.290 nan 0.000 0.543 75 G N 0.655 109.571 108.800 0.195 0.000 2.469 75 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 75 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 75 G C 1.463 176.420 174.900 0.095 0.000 1.136 75 G CA 1.487 46.680 45.100 0.154 0.000 0.759 75 G HN 0.524 nan 8.290 nan 0.000 0.562 76 D N 0.417 120.858 120.400 0.070 0.000 2.117 76 D HA 0.072 4.712 4.640 -0.000 0.000 0.198 76 D C 2.665 178.967 176.300 0.003 0.000 0.982 76 D CA 1.390 55.408 54.000 0.030 0.000 0.828 76 D CB -0.290 40.516 40.800 0.010 0.000 0.967 76 D HN 0.242 nan 8.370 nan 0.000 0.464 77 A N -0.036 122.773 122.820 -0.019 0.000 1.972 77 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 77 A C 2.292 179.867 177.584 -0.015 0.000 1.169 77 A CA 0.986 52.996 52.037 -0.046 0.000 0.635 77 A CB -0.704 18.230 19.000 -0.109 0.000 0.810 77 A HN 0.392 nan 8.150 nan 0.000 0.446 78 I N -0.367 120.215 120.570 0.020 0.000 2.252 78 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 78 I C 2.927 179.066 176.117 0.038 0.000 1.102 78 I CA 0.982 62.307 61.300 0.042 0.000 1.385 78 I CB -0.303 37.744 38.000 0.079 0.000 1.064 78 I HN 0.325 nan 8.210 nan 0.000 0.414 79 A N 0.806 123.647 122.820 0.036 0.000 1.933 79 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 79 A C 2.293 179.887 177.584 0.016 0.000 1.175 79 A CA 1.348 53.402 52.037 0.027 0.000 0.628 79 A CB -0.543 18.473 19.000 0.027 0.000 0.814 79 A HN 0.328 nan 8.150 nan 0.000 0.444 80 R N -1.218 119.286 120.500 0.008 0.000 2.339 80 R HA 0.127 4.467 4.340 -0.000 0.000 0.199 80 R C 1.293 177.597 176.300 0.007 0.000 1.018 80 R CA 0.506 56.606 56.100 0.000 0.000 1.036 80 R CB -0.274 30.017 30.300 -0.014 0.000 0.899 80 R HN 0.699 nan 8.270 nan 0.000 0.473 81 G N 1.070 109.881 108.800 0.017 0.000 2.153 81 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.252 81 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.252 81 G C 0.532 175.454 174.900 0.036 0.000 0.994 81 G CA 0.651 45.768 45.100 0.028 0.000 0.698 81 G HN 0.462 nan 8.290 nan 0.000 0.521 82 E N -0.614 119.600 120.200 0.023 0.000 2.170 82 E HA 0.272 4.622 4.350 -0.000 0.000 0.191 82 E C 1.525 178.166 176.600 0.067 0.000 0.981 82 E CA 1.131 57.549 56.400 0.031 0.000 0.830 82 E CB 0.162 29.853 29.700 -0.015 0.000 0.775 82 E HN 0.903 nan 8.360 nan 0.000 0.470 83 I N -3.009 117.578 120.570 0.028 0.000 3.191 83 I HA 0.498 4.668 4.170 -0.000 0.000 0.313 83 I C -1.456 174.711 176.117 0.083 0.000 1.193 83 I CA -1.267 60.052 61.300 0.032 0.000 0.968 83 I CB 2.276 40.100 38.000 -0.294 0.000 1.262 83 I HN -0.358 nan 8.210 nan 0.000 0.456 84 K N 2.242 122.729 120.400 0.145 0.000 2.427 84 K HA 0.496 4.816 4.320 -0.000 0.000 0.252 84 K C 0.011 176.687 176.600 0.126 0.000 0.931 84 K CA -0.769 55.592 56.287 0.124 0.000 0.793 84 K CB 2.978 35.555 32.500 0.127 0.000 1.211 84 K HN 0.604 nan 8.250 nan 0.000 0.426 85 L N 0.990 122.266 121.223 0.088 0.000 2.275 85 L HA -0.153 4.187 4.340 -0.000 0.000 0.215 85 L C 1.922 178.815 176.870 0.038 0.000 1.119 85 L CA 1.274 56.143 54.840 0.048 0.000 0.790 85 L CB -0.285 41.752 42.059 -0.037 0.000 0.919 85 L HN 0.695 nan 8.230 nan 0.000 0.443 86 S N -2.777 112.960 115.700 0.061 0.000 2.562 86 S HA 0.017 4.487 4.470 -0.000 0.000 0.221 86 S C 0.554 175.214 174.600 0.101 0.000 0.975 86 S CA -0.308 57.926 58.200 0.058 0.000 0.918 86 S CB -0.315 62.918 63.200 0.056 0.000 0.772 86 S HN 0.208 nan 8.310 nan 0.000 0.531 87 D N 3.810 124.304 120.400 0.157 0.000 2.345 87 D HA 0.351 4.991 4.640 -0.000 0.000 0.247 87 D C -2.626 173.807 176.300 0.221 0.000 1.108 87 D CA -1.703 52.418 54.000 0.202 0.000 0.894 87 D CB 0.895 41.902 40.800 0.345 0.000 1.203 87 D HN 0.144 nan 8.370 nan 0.000 0.430 88 P HA 0.033 nan 4.420 nan 0.000 0.268 88 P C 0.782 178.220 177.300 0.229 0.000 1.205 88 P CA -0.041 63.172 63.100 0.188 0.000 0.771 88 P CB 0.590 32.366 31.700 0.127 0.000 0.858 89 T N 0.777 115.494 114.554 0.271 0.000 2.759 89 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 89 T C 1.493 176.304 174.700 0.184 0.000 1.042 89 T CA 1.989 64.248 62.100 0.264 0.000 1.140 89 T CB -0.863 68.157 68.868 0.254 0.000 0.864 89 T HN 0.485 nan 8.240 nan 0.000 0.455 90 T N 1.428 116.045 114.554 0.104 0.000 3.007 90 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 90 T C 1.817 176.512 174.700 -0.007 0.000 1.107 90 T CA 0.810 62.925 62.100 0.024 0.000 1.118 90 T CB -0.101 68.767 68.868 0.001 0.000 0.889 90 T HN 0.445 nan 8.240 nan 0.000 0.506 91 K N 0.446 120.800 120.400 -0.078 0.000 2.097 91 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 91 K C 1.053 177.394 176.600 -0.431 0.000 1.049 91 K CA 1.321 57.422 56.287 -0.311 0.000 0.933 91 K CB -0.096 32.091 32.500 -0.521 0.000 0.717 91 K HN 0.445 nan 8.250 nan 0.000 0.442 92 Y N -2.343 117.993 120.300 0.060 0.000 2.457 92 Y HA 0.090 4.640 4.550 -0.000 0.000 0.263 92 Y C 0.213 176.174 175.900 0.102 0.000 1.164 92 Y CA -0.556 57.569 58.100 0.042 0.000 1.274 92 Y CB 0.510 38.967 38.460 -0.005 0.000 1.097 92 Y HN 0.146 nan 8.280 nan 0.000 0.523 93 W N 1.998 123.285 121.300 -0.022 0.000 1.949 93 W HA 0.400 5.060 4.660 -0.000 0.000 0.299 93 W C -2.564 173.898 176.519 -0.094 0.000 0.959 93 W CA -3.667 53.633 57.345 -0.075 0.000 1.665 93 W CB 0.782 30.155 29.460 -0.145 0.000 1.829 93 W HN -0.098 nan 8.180 nan 0.000 0.375 94 P HA -0.252 nan 4.420 nan 0.000 0.218 94 P C 1.371 178.630 177.300 -0.068 0.000 1.146 94 P CA 1.957 65.068 63.100 0.018 0.000 0.820 94 P CB 0.381 32.104 31.700 0.037 0.000 0.778 95 E N -1.234 118.903 120.200 -0.105 0.000 2.427 95 E HA -0.046 4.304 4.350 -0.000 0.000 0.196 95 E C 0.597 176.887 176.600 -0.517 0.000 1.028 95 E CA 0.280 56.531 56.400 -0.248 0.000 0.864 95 E CB -0.264 29.357 29.700 -0.131 0.000 0.813 95 E HN 0.207 nan 8.360 nan 0.000 0.514 96 L N 2.261 123.032 121.223 -0.753 0.000 2.399 96 L HA 0.048 4.388 4.340 -0.000 0.000 0.257 96 L C 1.180 177.815 176.870 -0.391 0.000 1.236 96 L CA 0.366 54.713 54.840 -0.821 0.000 1.144 96 L CB -0.048 41.328 42.059 -1.138 0.000 1.379 96 L HN -0.114 nan 8.230 nan 0.000 0.414 97 T N -0.607 113.807 114.554 -0.234 0.000 3.065 97 T HA 0.322 4.672 4.350 -0.000 0.000 0.252 97 T C 0.956 175.665 174.700 0.016 0.000 1.099 97 T CA 0.244 62.295 62.100 -0.082 0.000 1.063 97 T CB -0.049 68.779 68.868 -0.067 0.000 0.948 97 T HN 0.528 nan 8.240 nan 0.000 0.506 98 A N 2.788 125.648 122.820 0.065 0.000 2.540 98 A HA 0.257 4.577 4.320 -0.000 0.000 0.239 98 A C 1.670 179.373 177.584 0.199 0.000 1.061 98 A CA 0.046 52.174 52.037 0.151 0.000 0.758 98 A CB 0.180 19.318 19.000 0.229 0.000 0.991 98 A HN 0.666 nan 8.150 nan 0.000 0.502 99 K N 1.897 122.358 120.400 0.101 0.000 2.211 99 K HA -0.242 4.078 4.320 -0.000 0.000 0.204 99 K C 1.439 178.071 176.600 0.054 0.000 1.047 99 K CA 1.615 57.946 56.287 0.072 0.000 0.935 99 K CB -0.105 32.408 32.500 0.023 0.000 0.728 99 K HN 0.825 nan 8.250 nan 0.000 0.452 100 Q N 0.353 120.152 119.800 -0.002 0.000 2.437 100 Q HA -0.159 4.181 4.340 -0.000 0.000 0.210 100 Q C 0.878 176.790 176.000 -0.146 0.000 0.972 100 Q CA 1.172 56.884 55.803 -0.152 0.000 0.903 100 Q CB -0.436 28.092 28.738 -0.349 0.000 0.967 100 Q HN 0.609 nan 8.270 nan 0.000 0.486 101 W N 1.499 122.848 121.300 0.082 0.000 3.003 101 W HA 0.173 4.833 4.660 -0.000 0.000 0.257 101 W C 1.791 178.368 176.519 0.096 0.000 1.308 101 W CA -0.165 57.252 57.345 0.120 0.000 1.529 101 W CB 0.001 29.513 29.460 0.087 0.000 1.115 101 W HN 0.125 nan 8.180 nan 0.000 0.659 102 N N 0.308 119.144 118.700 0.228 0.000 2.064 102 N HA -0.179 4.561 4.740 -0.000 0.000 0.200 102 N C 1.773 177.388 175.510 0.174 0.000 1.028 102 N CA 2.123 55.274 53.050 0.169 0.000 0.880 102 N CB -1.057 37.492 38.487 0.104 0.000 1.062 102 N HN 0.253 nan 8.380 nan 0.000 0.454 103 G N -0.090 108.802 108.800 0.154 0.000 3.284 103 G HA2 0.260 4.220 3.960 -0.000 0.000 0.236 103 G HA3 0.260 4.220 3.960 -0.000 0.000 0.236 103 G C 0.433 175.496 174.900 0.271 0.000 1.158 103 G CA -0.326 44.885 45.100 0.184 0.000 0.774 103 G HN 0.163 nan 8.290 nan 0.000 0.545 104 I N 2.884 123.637 120.570 0.305 0.000 2.337 104 I HA 0.203 4.372 4.170 -0.000 0.000 0.291 104 I C 0.874 177.296 176.117 0.508 0.000 1.046 104 I CA -0.313 61.248 61.300 0.435 0.000 1.324 104 I CB 0.935 39.169 38.000 0.389 0.000 1.409 104 I HN 0.056 nan 8.210 nan 0.000 0.494 105 T N 3.096 118.007 114.554 0.596 0.000 2.923 105 T HA 0.452 4.802 4.350 -0.000 0.000 0.281 105 T C 1.213 176.033 174.700 0.199 0.000 0.995 105 T CA -0.891 61.364 62.100 0.258 0.000 0.985 105 T CB 1.559 70.451 68.868 0.041 0.000 1.114 105 T HN 0.423 nan 8.240 nan 0.000 0.548 106 L N 0.304 121.633 121.223 0.177 0.000 2.131 106 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 106 L C 2.528 179.394 176.870 -0.005 0.000 1.092 106 L CA 0.900 55.858 54.840 0.197 0.000 0.759 106 L CB -0.790 41.427 42.059 0.263 0.000 0.903 106 L HN 0.611 nan 8.230 nan 0.000 0.435 107 L N -0.391 120.762 121.223 -0.116 0.000 2.042 107 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 107 L C 2.375 179.165 176.870 -0.133 0.000 1.076 107 L CA 1.923 56.620 54.840 -0.239 0.000 0.749 107 L CB -0.623 41.305 42.059 -0.219 0.000 0.893 107 L HN 0.225 nan 8.230 nan 0.000 0.432 108 H N -0.904 118.218 119.070 0.086 0.000 2.319 108 H HA -0.152 4.404 4.556 -0.000 0.000 0.299 108 H C 2.258 177.576 175.328 -0.016 0.000 1.092 108 H CA 1.816 57.907 56.048 0.073 0.000 1.302 108 H CB -0.220 29.614 29.762 0.121 0.000 1.373 108 H HN 0.311 nan 8.280 nan 0.000 0.497 109 L N 0.178 121.481 121.223 0.134 0.000 2.012 109 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 109 L C 2.806 179.598 176.870 -0.132 0.000 1.073 109 L CA 0.938 55.824 54.840 0.076 0.000 0.748 109 L CB -0.518 41.650 42.059 0.182 0.000 0.891 109 L HN 0.364 nan 8.230 nan 0.000 0.431 110 A N -0.415 122.154 122.820 -0.419 0.000 2.015 110 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 110 A C 2.051 179.214 177.584 -0.702 0.000 1.163 110 A CA 1.936 53.484 52.037 -0.814 0.000 0.646 110 A CB -0.628 17.415 19.000 -1.595 0.000 0.806 110 A HN 0.530 nan 8.150 nan 0.000 0.448 111 T N -6.250 108.002 114.554 -0.503 0.000 3.129 111 T HA 0.324 4.674 4.350 -0.000 0.000 0.267 111 T C 0.278 174.747 174.700 -0.386 0.000 1.018 111 T CA 0.229 62.051 62.100 -0.463 0.000 0.903 111 T CB -0.810 68.078 68.868 0.033 0.000 1.067 111 T HN 0.686 nan 8.240 nan 0.000 0.549 112 Y N 0.943 121.217 120.300 -0.043 0.000 4.272 112 Y HA -0.278 4.272 4.550 0.000 0.000 0.232 112 Y C 1.160 177.017 175.900 -0.072 0.000 1.149 112 Y CA 0.509 58.585 58.100 -0.041 0.000 1.961 112 Y CB -2.951 35.496 38.460 -0.023 0.000 1.611 112 Y HN 0.584 nan 8.280 nan 0.000 0.682 113 T N -4.112 110.433 114.554 -0.015 0.000 3.215 113 T HA 0.655 5.005 4.350 -0.000 0.000 0.271 113 T C 1.385 176.049 174.700 -0.059 0.000 1.012 113 T CA 0.142 62.154 62.100 -0.148 0.000 0.899 113 T CB 0.803 69.341 68.868 -0.551 0.000 1.089 113 T HN 0.486 nan 8.240 nan 0.000 0.552 114 A N 1.416 124.263 122.820 0.046 0.000 2.067 114 A HA 0.538 4.858 4.320 -0.000 0.000 0.219 114 A C 1.894 179.539 177.584 0.103 0.000 1.158 114 A CA 0.709 52.762 52.037 0.027 0.000 0.661 114 A CB -0.840 18.171 19.000 0.018 0.000 0.801 114 A HN 1.499 nan 8.150 nan 0.000 0.452 115 G N -3.188 105.743 108.800 0.219 0.000 2.247 115 G HA2 0.411 4.371 3.960 -0.000 0.000 0.111 115 G HA3 0.411 4.371 3.960 -0.000 0.000 0.111 115 G C 0.981 176.186 174.900 0.507 0.000 1.045 115 G CA 0.355 45.676 45.100 0.368 0.000 0.715 115 G HN 1.984 nan 8.290 nan 0.000 0.485 116 G N -0.959 108.167 108.800 0.542 0.000 2.141 116 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.195 116 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.195 116 G C 0.454 175.615 174.900 0.435 0.000 1.012 116 G CA 0.017 45.390 45.100 0.455 0.000 0.696 116 G HN 1.258 nan 8.290 nan 0.000 0.508 117 L N 2.029 123.361 121.223 0.181 0.000 2.485 117 L HA 0.257 4.597 4.340 -0.000 0.000 0.275 117 L C -0.759 176.168 176.870 0.095 0.000 1.207 117 L CA -1.295 53.443 54.840 -0.171 0.000 0.855 117 L CB 0.348 42.222 42.059 -0.309 0.000 1.114 117 L HN 0.096 nan 8.230 nan 0.000 0.485 118 P HA -0.090 nan 4.420 nan 0.000 0.269 118 P C 0.553 177.932 177.300 0.132 0.000 1.209 118 P CA -0.374 62.835 63.100 0.181 0.000 0.776 118 P CB 0.955 32.804 31.700 0.248 0.000 0.876 119 L N 2.232 123.523 121.223 0.113 0.000 2.043 119 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 119 L C 0.912 177.825 176.870 0.072 0.000 1.075 119 L CA 2.014 56.907 54.840 0.088 0.000 0.752 119 L CB -0.687 41.432 42.059 0.099 0.000 0.891 119 L HN 0.475 nan 8.230 nan 0.000 0.432 120 Q N -1.442 118.397 119.800 0.066 0.000 2.423 120 Q HA 0.466 4.805 4.340 -0.000 0.000 0.278 120 Q C -1.193 174.798 176.000 -0.015 0.000 1.097 120 Q CA -0.999 54.826 55.803 0.036 0.000 0.809 120 Q CB 2.738 31.482 28.738 0.011 0.000 1.391 120 Q HN -0.113 nan 8.270 nan 0.000 0.428 121 V N 3.233 123.107 119.914 -0.067 0.000 2.488 121 V HA 0.169 4.289 4.120 -0.000 0.000 0.277 121 V C -2.079 173.837 176.094 -0.297 0.000 1.046 121 V CA -1.335 60.779 62.300 -0.309 0.000 0.986 121 V CB 0.525 32.212 31.823 -0.228 0.000 0.989 121 V HN 0.655 nan 8.190 nan 0.000 0.475 122 P HA -0.041 nan 4.420 nan 0.000 0.264 122 P C 0.575 177.774 177.300 -0.167 0.000 1.179 122 P CA 0.340 63.298 63.100 -0.237 0.000 0.763 122 P CB 0.505 32.051 31.700 -0.256 0.000 0.806 123 D N 1.730 122.079 120.400 -0.084 0.000 2.149 123 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 123 D C 1.246 177.520 176.300 -0.045 0.000 0.990 123 D CA 1.371 55.343 54.000 -0.046 0.000 0.839 123 D CB 0.067 40.855 40.800 -0.019 0.000 0.948 123 D HN 0.422 nan 8.370 nan 0.000 0.460 124 E N -0.573 119.598 120.200 -0.048 0.000 2.333 124 E HA -0.013 4.337 4.350 -0.000 0.000 0.198 124 E C 0.087 176.663 176.600 -0.039 0.000 1.007 124 E CA 0.129 56.510 56.400 -0.030 0.000 0.845 124 E CB 0.177 29.867 29.700 -0.017 0.000 0.766 124 E HN 0.112 nan 8.360 nan 0.000 0.507 125 V N 0.662 120.525 119.914 -0.085 0.000 2.470 125 V HA 0.328 4.448 4.120 -0.000 0.000 0.276 125 V C 0.931 176.994 176.094 -0.052 0.000 1.040 125 V CA 0.995 63.242 62.300 -0.088 0.000 1.008 125 V CB 0.731 32.418 31.823 -0.226 0.000 0.990 125 V HN 0.315 nan 8.190 nan 0.000 0.477 126 K N 3.586 123.979 120.400 -0.013 0.000 2.642 126 K HA 0.341 4.661 4.320 -0.000 0.000 0.214 126 K C 1.109 177.716 176.600 0.012 0.000 1.451 126 K CA 0.620 56.905 56.287 -0.002 0.000 0.917 126 K CB -0.351 32.151 32.500 0.003 0.000 1.779 126 K HN 0.751 nan 8.250 nan 0.000 0.447 127 S N 1.172 116.887 115.700 0.026 0.000 2.596 127 S HA 0.167 4.637 4.470 -0.000 0.000 0.260 127 S C 1.537 176.173 174.600 0.061 0.000 1.336 127 S CA 0.394 58.615 58.200 0.036 0.000 0.993 127 S CB 1.304 64.527 63.200 0.039 0.000 0.923 127 S HN 0.997 nan 8.310 nan 0.000 0.567 128 S N 0.697 116.433 115.700 0.059 0.000 2.383 128 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 128 S C 1.956 176.655 174.600 0.165 0.000 1.030 128 S CA 1.350 59.604 58.200 0.090 0.000 1.002 128 S CB -1.215 62.019 63.200 0.057 0.000 0.829 128 S HN 0.769 nan 8.310 nan 0.000 0.467 129 S N 1.567 117.342 115.700 0.126 0.000 2.383 129 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 129 S C 1.509 176.194 174.600 0.142 0.000 1.026 129 S CA 1.342 59.620 58.200 0.130 0.000 0.981 129 S CB -0.764 62.488 63.200 0.087 0.000 0.818 129 S HN 0.560 nan 8.310 nan 0.000 0.472 130 D N 0.927 121.400 120.400 0.121 0.000 2.144 130 D HA -0.040 4.600 4.640 -0.000 0.000 0.200 130 D C 1.842 178.255 176.300 0.188 0.000 0.978 130 D CA 0.564 54.636 54.000 0.119 0.000 0.833 130 D CB -0.407 40.434 40.800 0.069 0.000 0.961 130 D HN 0.286 nan 8.370 nan 0.000 0.470 131 L N 0.663 122.026 121.223 0.232 0.000 2.027 131 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 131 L C 2.183 179.389 176.870 0.560 0.000 1.074 131 L CA 1.140 56.209 54.840 0.382 0.000 0.745 131 L CB -0.822 41.456 42.059 0.364 0.000 0.898 131 L HN 0.026 nan 8.230 nan 0.000 0.433 132 L N -0.389 121.143 121.223 0.514 0.000 2.042 132 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 132 L C 2.693 179.651 176.870 0.147 0.000 1.076 132 L CA 1.894 56.921 54.840 0.312 0.000 0.749 132 L CB -0.685 41.511 42.059 0.227 0.000 0.893 132 L HN 0.307 nan 8.230 nan 0.000 0.432 133 R N -1.484 119.121 120.500 0.174 0.000 2.075 133 R HA -0.223 4.117 4.340 -0.000 0.000 0.232 133 R C 2.333 178.732 176.300 0.166 0.000 1.126 133 R CA 1.768 57.949 56.100 0.134 0.000 0.963 133 R CB -0.594 29.781 30.300 0.126 0.000 0.858 133 R HN 0.448 nan 8.270 nan 0.000 0.435 134 F N 0.593 120.569 119.950 0.043 0.000 2.043 134 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 134 F C 1.496 177.310 175.800 0.022 0.000 1.121 134 F CA 1.595 59.575 58.000 -0.035 0.000 1.199 134 F CB -0.806 38.081 39.000 -0.189 0.000 0.968 134 F HN 0.016 nan 8.300 nan 0.000 0.478 135 Y N 0.484 120.735 120.300 -0.081 0.000 2.242 135 Y HA -0.170 4.380 4.550 0.000 0.000 0.291 135 Y C 2.648 178.701 175.900 0.254 0.000 1.137 135 Y CA 1.531 59.622 58.100 -0.015 0.000 1.181 135 Y CB -0.973 37.449 38.460 -0.063 0.000 0.989 135 Y HN 0.160 nan 8.280 nan 0.000 0.527 136 Q N -0.081 119.835 119.800 0.193 0.000 2.167 136 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 136 Q C 1.406 177.523 176.000 0.195 0.000 0.970 136 Q CA 1.030 56.936 55.803 0.173 0.000 0.855 136 Q CB -0.248 28.502 28.738 0.021 0.000 0.911 136 Q HN 0.511 nan 8.270 nan 0.000 0.438 137 N N -0.714 118.068 118.700 0.136 0.000 2.415 137 N HA -0.056 4.684 4.740 -0.000 0.000 0.176 137 N C 0.063 175.612 175.510 0.065 0.000 1.042 137 N CA -0.034 53.065 53.050 0.082 0.000 0.902 137 N CB -0.045 38.484 38.487 0.071 0.000 0.986 137 N HN 0.218 nan 8.380 nan 0.000 0.447 138 W N 3.189 124.412 121.300 -0.127 0.000 2.257 138 W HA 0.050 4.710 4.660 -0.000 0.000 0.337 138 W C -0.400 176.012 176.519 -0.179 0.000 1.321 138 W CA 0.193 57.421 57.345 -0.195 0.000 1.267 138 W CB 0.527 29.810 29.460 -0.294 0.000 1.187 138 W HN -0.097 nan 8.180 nan 0.000 0.565 139 Q N 7.427 126.618 119.800 -1.015 0.000 2.333 139 Q HA 0.313 4.653 4.340 -0.000 0.000 0.268 139 Q C -2.095 172.964 176.000 -1.569 0.000 1.007 139 Q CA -2.091 53.055 55.803 -1.096 0.000 0.810 139 Q CB 1.315 29.718 28.738 -0.559 0.000 1.264 139 Q HN 0.337 nan 8.270 nan 0.000 0.452 140 P HA 0.011 nan 4.420 nan 0.000 0.266 140 P C -0.086 176.805 177.300 -0.682 0.000 1.195 140 P CA 0.248 62.668 63.100 -1.134 0.000 0.768 140 P CB 0.783 32.023 31.700 -0.767 0.000 0.838 141 A N 2.320 124.753 122.820 -0.644 0.000 2.132 141 A HA 0.128 4.448 4.320 -0.000 0.000 0.213 141 A C 0.057 176.951 177.584 -1.151 0.000 1.154 141 A CA 0.726 52.145 52.037 -1.029 0.000 0.753 141 A CB -0.122 17.892 19.000 -1.643 0.000 0.826 141 A HN 0.525 nan 8.150 nan 0.000 0.469 142 W N -2.877 118.371 121.300 -0.086 0.000 3.042 142 W HA 0.625 5.285 4.660 -0.000 0.000 0.342 142 W C -0.037 176.425 176.519 -0.095 0.000 1.240 142 W CA -1.183 56.117 57.345 -0.076 0.000 1.166 142 W CB 0.919 30.350 29.460 -0.049 0.000 1.469 142 W HN 0.095 nan 8.180 nan 0.000 0.579 143 A N 2.094 125.005 122.820 0.153 0.000 2.366 143 A HA 0.609 4.929 4.320 -0.000 0.000 0.249 143 A C -2.274 175.319 177.584 0.015 0.000 1.084 143 A CA -0.864 51.198 52.037 0.042 0.000 0.794 143 A CB -0.720 18.303 19.000 0.038 0.000 1.034 143 A HN 0.127 nan 8.150 nan 0.000 0.491 144 P HA 0.311 nan 4.420 nan 0.000 0.269 144 P C 0.770 177.940 177.300 -0.217 0.000 1.209 144 P CA 1.512 64.445 63.100 -0.279 0.000 0.776 144 P CB 0.582 32.024 31.700 -0.430 0.000 0.876 145 G N 1.599 110.231 108.800 -0.281 0.000 2.160 145 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.251 145 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.251 145 G C 0.652 175.498 174.900 -0.090 0.000 1.008 145 G CA 0.769 45.849 45.100 -0.033 0.000 0.724 145 G HN 0.689 nan 8.290 nan 0.000 0.514 146 T N -5.033 109.433 114.554 -0.146 0.000 2.987 146 T HA 0.443 4.793 4.350 -0.000 0.000 0.248 146 T C 0.568 175.127 174.700 -0.235 0.000 0.997 146 T CA 0.742 62.774 62.100 -0.113 0.000 1.013 146 T CB 0.667 69.511 68.868 -0.040 0.000 1.077 146 T HN 0.270 nan 8.240 nan 0.000 0.483 147 Q N 0.991 120.610 119.800 -0.300 0.000 2.372 147 Q HA 0.489 4.829 4.340 -0.000 0.000 0.273 147 Q C -1.332 174.481 176.000 -0.311 0.000 1.078 147 Q CA -0.528 55.020 55.803 -0.425 0.000 0.806 147 Q CB 3.176 31.380 28.738 -0.891 0.000 1.332 147 Q HN 0.401 nan 8.270 nan 0.000 0.435 148 R N 2.191 122.536 120.500 -0.258 0.000 2.255 148 R HA 0.550 4.890 4.340 -0.000 0.000 0.326 148 R C -1.260 175.019 176.300 -0.035 0.000 0.986 148 R CA -0.593 55.439 56.100 -0.112 0.000 0.847 148 R CB 0.533 30.802 30.300 -0.053 0.000 1.111 148 R HN 0.454 nan 8.270 nan 0.000 0.452 149 L N 5.990 127.258 121.223 0.074 0.000 2.427 149 L HA 0.271 4.611 4.340 -0.000 0.000 0.264 149 L C -1.340 175.563 176.870 0.055 0.000 0.989 149 L CA -0.721 54.184 54.840 0.109 0.000 0.865 149 L CB 0.957 43.165 42.059 0.248 0.000 1.209 149 L HN 0.629 nan 8.230 nan 0.000 0.430 150 Y N 4.706 124.874 120.300 -0.221 0.000 2.895 150 Y HA 0.329 4.879 4.550 -0.000 0.000 0.334 150 Y C 0.059 175.750 175.900 -0.348 0.000 1.261 150 Y CA 1.006 58.734 58.100 -0.619 0.000 1.560 150 Y CB 0.440 38.624 38.460 -0.459 0.000 1.253 150 Y HN 0.816 nan 8.280 nan 0.000 0.582 151 A N 5.611 127.963 122.820 -0.781 0.000 2.491 151 A HA 0.300 4.620 4.320 -0.000 0.000 0.293 151 A C -0.067 177.402 177.584 -0.191 0.000 1.047 151 A CA -0.902 50.975 52.037 -0.266 0.000 0.735 151 A CB 0.839 19.844 19.000 0.008 0.000 1.281 151 A HN 0.786 nan 8.150 nan 0.000 0.398 152 N N 1.165 119.815 118.700 -0.084 0.000 2.166 152 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 152 N C 2.000 177.578 175.510 0.114 0.000 1.019 152 N CA 1.967 55.044 53.050 0.045 0.000 0.856 152 N CB -0.136 38.440 38.487 0.148 0.000 0.993 152 N HN 0.836 nan 8.380 nan 0.000 0.426 153 S N -1.043 114.746 115.700 0.147 0.000 2.474 153 S HA 0.032 4.502 4.470 -0.000 0.000 0.235 153 S C 2.017 176.782 174.600 0.275 0.000 0.997 153 S CA 0.916 59.277 58.200 0.269 0.000 0.949 153 S CB -0.043 63.365 63.200 0.348 0.000 0.766 153 S HN 0.192 nan 8.310 nan 0.000 0.517 154 S N 1.282 117.094 115.700 0.186 0.000 2.324 154 S HA 0.245 4.715 4.470 -0.000 0.000 0.210 154 S C 1.632 176.316 174.600 0.140 0.000 1.027 154 S CA 0.486 58.785 58.200 0.166 0.000 0.945 154 S CB -0.550 62.770 63.200 0.201 0.000 0.908 154 S HN 0.564 nan 8.310 nan 0.000 0.496 155 I N 1.319 121.975 120.570 0.142 0.000 2.493 155 I HA -0.013 4.157 4.170 -0.000 0.000 0.254 155 I C 2.065 178.252 176.117 0.116 0.000 1.160 155 I CA 1.143 62.507 61.300 0.106 0.000 1.445 155 I CB -0.585 37.462 38.000 0.079 0.000 1.086 155 I HN 0.471 nan 8.210 nan 0.000 0.433 156 G N 1.047 109.892 108.800 0.077 0.000 2.446 156 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 156 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 156 G C 1.525 176.383 174.900 -0.070 0.000 1.168 156 G CA 0.925 46.013 45.100 -0.021 0.000 0.771 156 G HN 0.391 nan 8.290 nan 0.000 0.551 157 L N -0.296 120.930 121.223 0.005 0.000 2.093 157 L HA 0.164 4.503 4.340 -0.000 0.000 0.208 157 L C 2.421 179.243 176.870 -0.081 0.000 1.085 157 L CA 1.392 56.173 54.840 -0.099 0.000 0.755 157 L CB -0.713 41.230 42.059 -0.194 0.000 0.904 157 L HN 0.228 nan 8.230 nan 0.000 0.435 158 F N 0.473 120.356 119.950 -0.112 0.000 2.091 158 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 158 F C 2.185 177.918 175.800 -0.112 0.000 1.103 158 F CA 1.860 59.797 58.000 -0.104 0.000 1.228 158 F CB -1.078 37.870 39.000 -0.087 0.000 0.984 158 F HN 0.118 nan 8.300 nan 0.000 0.477 159 G N -0.295 108.378 108.800 -0.212 0.000 2.446 159 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 159 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 159 G C 1.832 176.555 174.900 -0.294 0.000 1.168 159 G CA 1.076 46.012 45.100 -0.273 0.000 0.771 159 G HN 0.678 nan 8.290 nan 0.000 0.551 160 A N 0.459 123.055 122.820 -0.374 0.000 1.902 160 A HA 0.115 4.435 4.320 -0.000 0.000 0.217 160 A C 2.432 179.844 177.584 -0.285 0.000 1.181 160 A CA 1.315 53.159 52.037 -0.321 0.000 0.623 160 A CB -0.359 18.423 19.000 -0.364 0.000 0.818 160 A HN 0.361 nan 8.150 nan 0.000 0.443 161 L N -1.009 120.017 121.223 -0.328 0.000 2.179 161 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 161 L C 2.998 179.630 176.870 -0.396 0.000 1.096 161 L CA 0.733 55.392 54.840 -0.302 0.000 0.779 161 L CB -0.578 41.353 42.059 -0.213 0.000 0.922 161 L HN 0.420 nan 8.230 nan 0.000 0.443 162 A N 0.464 122.958 122.820 -0.544 0.000 1.978 162 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 162 A C 2.156 179.527 177.584 -0.356 0.000 1.170 162 A CA 1.954 53.630 52.037 -0.602 0.000 0.636 162 A CB -0.720 17.781 19.000 -0.832 0.000 0.810 162 A HN 0.352 nan 8.150 nan 0.000 0.448 163 V N -3.950 115.822 119.914 -0.236 0.000 3.649 163 V HA 0.068 4.188 4.120 -0.000 0.000 0.275 163 V C 1.665 177.686 176.094 -0.121 0.000 1.281 163 V CA 0.852 63.057 62.300 -0.158 0.000 1.143 163 V CB -0.416 31.341 31.823 -0.110 0.000 0.892 163 V HN 0.225 nan 8.190 nan 0.000 0.441 164 K N 1.666 121.993 120.400 -0.122 0.000 2.044 164 K HA -0.078 4.242 4.320 -0.000 0.000 0.210 164 K C 0.264 176.855 176.600 -0.014 0.000 1.049 164 K CA 2.126 58.378 56.287 -0.059 0.000 0.927 164 K CB -2.012 30.480 32.500 -0.014 0.000 0.713 164 K HN 0.469 nan 8.250 nan 0.000 0.443 165 P HA -0.108 nan 4.420 nan 0.000 0.218 165 P C 1.454 178.749 177.300 -0.008 0.000 1.148 165 P CA 1.552 64.673 63.100 0.036 0.000 0.822 165 P CB -0.076 31.667 31.700 0.072 0.000 0.784 166 S N -1.669 114.007 115.700 -0.040 0.000 2.447 166 S HA 0.058 4.528 4.470 -0.000 0.000 0.233 166 S C 1.907 176.479 174.600 -0.047 0.000 1.006 166 S CA 1.045 59.214 58.200 -0.051 0.000 0.957 166 S CB -1.410 61.742 63.200 -0.080 0.000 0.773 166 S HN 0.297 nan 8.310 nan 0.000 0.507 167 G N 0.691 109.464 108.800 -0.045 0.000 2.205 167 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.261 167 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.261 167 G C 0.028 174.896 174.900 -0.052 0.000 0.980 167 G CA 0.464 45.539 45.100 -0.041 0.000 0.632 167 G HN 0.579 nan 8.290 nan 0.000 0.533 168 L N 1.722 122.904 121.223 -0.068 0.000 2.439 168 L HA 0.578 4.918 4.340 -0.000 0.000 0.261 168 L C 1.488 178.312 176.870 -0.077 0.000 1.153 168 L CA -0.231 54.562 54.840 -0.079 0.000 0.808 168 L CB 1.167 43.162 42.059 -0.107 0.000 1.126 168 L HN 0.393 nan 8.230 nan 0.000 0.460 169 S N 0.137 115.796 115.700 -0.069 0.000 2.600 169 S HA 0.087 4.557 4.470 -0.000 0.000 0.265 169 S C 0.786 175.359 174.600 -0.044 0.000 1.325 169 S CA -0.458 57.716 58.200 -0.042 0.000 1.002 169 S CB 0.552 63.733 63.200 -0.031 0.000 0.921 169 S HN 0.539 nan 8.310 nan 0.000 0.554 170 F N 1.197 121.057 119.950 -0.151 0.000 2.095 170 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 170 F C 2.536 178.223 175.800 -0.188 0.000 1.104 170 F CA 2.243 60.136 58.000 -0.178 0.000 1.232 170 F CB -0.496 38.397 39.000 -0.177 0.000 0.987 170 F HN 0.943 nan 8.300 nan 0.000 0.475 171 E N -0.551 119.614 120.200 -0.059 0.000 2.085 171 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 171 E C 2.179 178.628 176.600 -0.252 0.000 0.994 171 E CA 1.421 57.727 56.400 -0.157 0.000 0.801 171 E CB -0.135 29.559 29.700 -0.011 0.000 0.743 171 E HN 0.399 nan 8.360 nan 0.000 0.453 172 Q N -0.000 119.691 119.800 -0.181 0.000 2.079 172 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 172 Q C 2.131 177.975 176.000 -0.260 0.000 0.974 172 Q CA 1.388 57.084 55.803 -0.178 0.000 0.840 172 Q CB -0.457 28.213 28.738 -0.113 0.000 0.898 172 Q HN 0.400 nan 8.270 nan 0.000 0.430 173 A N 0.687 123.323 122.820 -0.308 0.000 1.883 173 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 173 A C 2.168 179.468 177.584 -0.473 0.000 1.186 173 A CA 2.000 53.830 52.037 -0.345 0.000 0.624 173 A CB -0.534 18.253 19.000 -0.356 0.000 0.822 173 A HN 0.354 nan 8.150 nan 0.000 0.444 174 M N -0.143 119.035 119.600 -0.702 0.000 2.086 174 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 174 M C 2.182 177.907 176.300 -0.957 0.000 1.067 174 M CA 2.056 56.797 55.300 -0.932 0.000 1.116 174 M CB -0.589 31.273 32.600 -1.229 0.000 1.348 174 M HN 0.541 nan 8.290 nan 0.000 0.407 175 Q N -1.098 118.282 119.800 -0.701 0.000 2.030 175 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 175 Q C 1.943 177.777 176.000 -0.277 0.000 0.986 175 Q CA 2.383 57.930 55.803 -0.427 0.000 0.843 175 Q CB -0.574 28.023 28.738 -0.236 0.000 0.904 175 Q HN 0.773 nan 8.270 nan 0.000 0.420 176 T N -2.011 112.395 114.554 -0.246 0.000 3.043 176 T HA 0.035 4.385 4.350 -0.000 0.000 0.263 176 T C 1.638 176.250 174.700 -0.147 0.000 1.094 176 T CA 0.460 62.462 62.100 -0.164 0.000 1.127 176 T CB 0.076 68.863 68.868 -0.135 0.000 0.905 176 T HN 0.146 nan 8.240 nan 0.000 0.490 177 R N -0.145 120.238 120.500 -0.196 0.000 2.307 177 R HA 0.406 4.746 4.340 -0.000 0.000 0.200 177 R C 1.329 177.567 176.300 -0.103 0.000 0.893 177 R CA 0.168 56.183 56.100 -0.141 0.000 1.042 177 R CB 0.540 30.746 30.300 -0.157 0.000 1.059 177 R HN 0.297 nan 8.270 nan 0.000 0.530 178 V N -1.007 118.811 119.914 -0.159 0.000 3.278 178 V HA 0.034 4.154 4.120 -0.000 0.000 0.215 178 V C 1.376 177.528 176.094 0.097 0.000 1.287 178 V CA 0.322 62.604 62.300 -0.030 0.000 1.302 178 V CB -0.417 31.346 31.823 -0.100 0.000 1.228 178 V HN -0.056 nan 8.190 nan 0.000 0.523 179 F N 1.607 121.462 119.950 -0.159 0.000 2.043 179 F HA -0.207 4.319 4.527 -0.000 0.000 0.297 179 F C 2.646 178.344 175.800 -0.169 0.000 1.121 179 F CA 1.823 59.690 58.000 -0.223 0.000 1.199 179 F CB -1.291 37.465 39.000 -0.406 0.000 0.968 179 F HN 0.201 nan 8.300 nan 0.000 0.478 180 Q N -0.311 119.507 119.800 0.030 0.000 2.050 180 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 180 Q C -0.296 175.700 176.000 -0.007 0.000 0.980 180 Q CA 1.931 57.716 55.803 -0.030 0.000 0.840 180 Q CB -1.465 27.234 28.738 -0.065 0.000 0.898 180 Q HN 0.268 nan 8.270 nan 0.000 0.424 181 P HA -0.144 nan 4.420 nan 0.000 0.218 181 P C 0.566 177.892 177.300 0.043 0.000 1.148 181 P CA 1.178 64.288 63.100 0.018 0.000 0.822 181 P CB 0.084 31.796 31.700 0.019 0.000 0.784 182 L N -1.463 119.812 121.223 0.086 0.000 2.592 182 L HA 0.152 4.492 4.340 -0.000 0.000 0.227 182 L C 0.374 177.290 176.870 0.076 0.000 1.127 182 L CA 0.092 55.001 54.840 0.114 0.000 0.884 182 L CB -0.641 41.558 42.059 0.234 0.000 1.065 182 L HN -0.057 nan 8.230 nan 0.000 0.457 183 K N 0.842 121.260 120.400 0.030 0.000 3.096 183 K HA -0.169 4.151 4.320 -0.000 0.000 0.266 183 K C -0.263 176.319 176.600 -0.032 0.000 1.043 183 K CA 0.368 56.648 56.287 -0.011 0.000 0.758 183 K CB -1.748 30.752 32.500 -0.000 0.000 1.260 183 K HN 0.324 nan 8.250 nan 0.000 0.481 184 L N 1.436 122.624 121.223 -0.058 0.000 2.387 184 L HA 0.110 4.450 4.340 -0.000 0.000 0.267 184 L C 0.992 177.676 176.870 -0.312 0.000 1.197 184 L CA -0.497 54.256 54.840 -0.146 0.000 1.070 184 L CB 0.093 42.032 42.059 -0.200 0.000 1.349 184 L HN 0.164 nan 8.230 nan 0.000 0.422 185 N N 0.409 118.944 118.700 -0.274 0.000 2.571 185 N HA -0.063 4.677 4.740 -0.000 0.000 0.189 185 N C 0.634 175.671 175.510 -0.789 0.000 1.154 185 N CA 0.790 53.559 53.050 -0.470 0.000 0.907 185 N CB 0.103 38.353 38.487 -0.395 0.000 0.977 185 N HN 0.497 nan 8.380 nan 0.000 0.449 186 H N -1.123 117.820 119.070 -0.211 0.000 2.767 186 H HA 0.267 4.823 4.556 -0.000 0.000 0.235 186 H C -0.396 174.785 175.328 -0.245 0.000 1.256 186 H CA -0.118 55.868 56.048 -0.103 0.000 0.957 186 H CB 0.339 30.088 29.762 -0.022 0.000 2.117 186 H HN -0.134 nan 8.280 nan 0.000 0.602 187 T N 0.855 115.038 114.554 -0.619 0.000 2.812 187 T HA 0.356 4.706 4.350 -0.000 0.000 0.282 187 T C -0.741 173.214 174.700 -1.241 0.000 0.990 187 T CA -0.439 61.134 62.100 -0.878 0.000 0.960 187 T CB 1.425 69.561 68.868 -1.220 0.000 0.948 187 T HN 0.222 nan 8.240 nan 0.000 0.438 188 W N 1.831 122.784 121.300 -0.578 0.000 3.127 188 W HA 0.547 5.207 4.660 0.000 0.000 0.330 188 W C 0.622 177.004 176.519 -0.228 0.000 1.187 188 W CA -0.802 56.345 57.345 -0.330 0.000 1.198 188 W CB 1.160 30.451 29.460 -0.281 0.000 1.408 188 W HN 0.502 nan 8.180 nan 0.000 0.529 189 I N 1.582 122.267 120.570 0.192 0.000 2.494 189 I HA -0.045 4.125 4.170 -0.000 0.000 0.250 189 I C 0.307 176.451 176.117 0.046 0.000 1.112 189 I CA 0.886 62.239 61.300 0.090 0.000 1.438 189 I CB 0.011 38.075 38.000 0.107 0.000 1.111 189 I HN 0.277 nan 8.210 nan 0.000 0.431 190 N N 1.213 119.977 118.700 0.107 0.000 2.479 190 N HA 0.234 4.974 4.740 -0.000 0.000 0.261 190 N C -0.856 174.568 175.510 -0.143 0.000 0.979 190 N CA -0.223 52.816 53.050 -0.018 0.000 0.930 190 N CB 2.502 40.984 38.487 -0.009 0.000 1.172 190 N HN -0.212 nan 8.380 nan 0.000 0.499 191 V N 4.755 124.496 119.914 -0.289 0.000 2.450 191 V HA 0.104 4.224 4.120 -0.000 0.000 0.281 191 V C -1.412 174.359 176.094 -0.539 0.000 1.019 191 V CA -0.799 61.191 62.300 -0.517 0.000 1.062 191 V CB 0.058 31.528 31.823 -0.588 0.000 0.979 191 V HN 0.500 nan 8.190 nan 0.000 0.477 192 P HA 0.266 nan 4.420 nan 0.000 0.274 192 P C -2.311 174.763 177.300 -0.376 0.000 1.237 192 P CA -1.819 60.907 63.100 -0.625 0.000 0.793 192 P CB 0.715 31.874 31.700 -0.902 0.000 0.977 193 P HA -0.215 nan 4.420 nan 0.000 0.216 193 P C 1.508 178.734 177.300 -0.123 0.000 1.154 193 P CA 2.290 65.305 63.100 -0.141 0.000 0.865 193 P CB -0.469 31.170 31.700 -0.101 0.000 0.789 194 A N -0.291 122.444 122.820 -0.142 0.000 2.024 194 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 194 A C 1.991 179.529 177.584 -0.078 0.000 1.164 194 A CA 1.485 53.468 52.037 -0.090 0.000 0.643 194 A CB -0.784 18.171 19.000 -0.075 0.000 0.806 194 A HN 0.143 nan 8.150 nan 0.000 0.451 195 E N -0.589 119.524 120.200 -0.146 0.000 2.474 195 E HA -0.003 4.347 4.350 -0.000 0.000 0.195 195 E C 1.332 177.893 176.600 -0.064 0.000 1.039 195 E CA 0.080 56.418 56.400 -0.103 0.000 0.881 195 E CB 0.002 29.592 29.700 -0.183 0.000 0.970 195 E HN 0.743 nan 8.360 nan 0.000 0.486 196 E N 1.371 121.537 120.200 -0.056 0.000 2.130 196 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 196 E C 1.960 178.590 176.600 0.050 0.000 0.998 196 E CA 1.474 57.885 56.400 0.019 0.000 0.806 196 E CB -0.100 29.607 29.700 0.012 0.000 0.738 196 E HN 0.237 nan 8.360 nan 0.000 0.459 197 K N 0.268 120.688 120.400 0.034 0.000 2.360 197 K HA -0.073 4.247 4.320 -0.000 0.000 0.201 197 K C 1.215 177.847 176.600 0.054 0.000 1.046 197 K CA 1.222 57.538 56.287 0.048 0.000 0.945 197 K CB 0.103 32.623 32.500 0.034 0.000 0.750 197 K HN -0.002 nan 8.250 nan 0.000 0.464 198 N N -0.084 118.644 118.700 0.047 0.000 2.254 198 N HA -0.048 4.692 4.740 -0.000 0.000 0.190 198 N C -0.746 174.812 175.510 0.081 0.000 1.107 198 N CA -0.077 53.000 53.050 0.046 0.000 0.869 198 N CB 0.273 38.768 38.487 0.014 0.000 0.983 198 N HN 0.297 nan 8.380 nan 0.000 0.487 199 Y N 2.397 122.637 120.300 -0.100 0.000 2.584 199 Y HA 0.257 4.807 4.550 -0.000 0.000 0.351 199 Y C 0.572 176.396 175.900 -0.126 0.000 1.030 199 Y CA -1.054 56.950 58.100 -0.160 0.000 1.332 199 Y CB 0.299 38.599 38.460 -0.266 0.000 1.148 199 Y HN -0.018 nan 8.280 nan 0.000 0.528 200 A N 6.202 129.106 122.820 0.140 0.000 2.466 200 A HA 0.006 4.326 4.320 -0.000 0.000 0.238 200 A C -1.046 176.549 177.584 0.018 0.000 1.074 200 A CA -0.155 51.911 52.037 0.049 0.000 0.774 200 A CB 0.292 19.243 19.000 -0.082 0.000 1.015 200 A HN 0.929 nan 8.150 nan 0.000 0.498 201 W N 0.247 121.532 121.300 -0.024 0.000 2.381 201 W HA 0.506 5.166 4.660 0.000 0.000 0.329 201 W C 0.805 177.010 176.519 -0.524 0.000 1.157 201 W CA 0.518 57.649 57.345 -0.357 0.000 1.240 201 W CB 1.354 30.464 29.460 -0.584 0.000 1.199 201 W HN 0.926 nan 8.180 nan 0.000 0.579 202 G N 1.071 109.628 108.800 -0.405 0.000 2.437 202 G HA2 0.558 4.518 3.960 -0.000 0.000 0.319 202 G HA3 0.558 4.518 3.960 -0.000 0.000 0.319 202 G C -2.201 172.279 174.900 -0.700 0.000 1.158 202 G CA -0.488 44.094 45.100 -0.863 0.000 0.899 202 G HN 0.404 nan 8.290 nan 0.000 0.502 203 Y N -0.310 119.885 120.300 -0.175 0.000 2.361 203 Y HA 0.575 5.125 4.550 -0.000 0.000 0.337 203 Y C 0.418 176.305 175.900 -0.021 0.000 0.965 203 Y CA -0.817 57.247 58.100 -0.060 0.000 1.091 203 Y CB 2.412 40.845 38.460 -0.045 0.000 1.182 203 Y HN 0.494 nan 8.280 nan 0.000 0.450 204 R N 2.540 123.105 120.500 0.109 0.000 2.483 204 R HA 0.299 4.639 4.340 -0.000 0.000 0.303 204 R C -0.742 175.603 176.300 0.076 0.000 0.987 204 R CA -0.381 55.770 56.100 0.085 0.000 0.881 204 R CB 0.776 31.113 30.300 0.061 0.000 1.177 204 R HN 0.721 nan 8.270 nan 0.000 0.451 205 E N 2.550 122.792 120.200 0.070 0.000 2.586 205 E HA -0.222 4.128 4.350 -0.000 0.000 0.259 205 E C 0.624 177.257 176.600 0.055 0.000 1.107 205 E CA 1.494 57.923 56.400 0.049 0.000 0.754 205 E CB -1.505 28.215 29.700 0.034 0.000 1.335 205 E HN 1.174 nan 8.360 nan 0.000 0.411 206 G N -1.977 106.876 108.800 0.089 0.000 2.220 206 G HA2 -0.381 3.578 3.960 -0.000 0.000 0.269 206 G HA3 -0.381 3.578 3.960 -0.000 0.000 0.269 206 G C 0.492 175.489 174.900 0.163 0.000 0.977 206 G CA 1.540 46.701 45.100 0.101 0.000 0.634 206 G HN 0.974 nan 8.290 nan 0.000 0.539 207 K N 0.067 120.531 120.400 0.106 0.000 2.234 207 K HA 0.909 5.229 4.320 -0.000 0.000 0.282 207 K C 0.455 177.023 176.600 -0.054 0.000 1.039 207 K CA 0.527 56.829 56.287 0.026 0.000 0.928 207 K CB 1.080 33.570 32.500 -0.017 0.000 1.039 207 K HN 1.925 nan 8.250 nan 0.000 0.470 208 A N 1.434 124.120 122.820 -0.223 0.000 2.454 208 A HA 0.541 4.861 4.320 -0.000 0.000 0.260 208 A C 0.373 177.792 177.584 -0.275 0.000 1.106 208 A CA 0.320 52.026 52.037 -0.551 0.000 0.780 208 A CB -0.586 17.878 19.000 -0.894 0.000 1.044 208 A HN 1.909 nan 8.150 nan 0.000 0.498 209 V N 0.962 120.824 119.914 -0.087 0.000 3.049 209 V HA 0.709 4.829 4.120 -0.000 0.000 0.309 209 V C -0.747 175.451 176.094 0.173 0.000 1.148 209 V CA -0.825 61.539 62.300 0.108 0.000 0.990 209 V CB 1.306 33.171 31.823 0.070 0.000 1.039 209 V HN 0.976 nan 8.190 nan 0.000 0.430 210 H N 0.498 119.680 119.070 0.188 0.000 2.731 210 H HA 0.707 5.263 4.556 -0.000 0.000 0.368 210 H C -0.550 174.867 175.328 0.148 0.000 1.168 210 H CA -0.909 55.184 56.048 0.074 0.000 1.181 210 H CB 2.316 31.964 29.762 -0.191 0.000 1.743 210 H HN 0.810 nan 8.280 nan 0.000 0.547 211 V N 2.560 122.657 119.914 0.306 0.000 2.740 211 V HA 0.065 4.185 4.120 -0.000 0.000 0.303 211 V C -0.032 176.181 176.094 0.198 0.000 1.054 211 V CA 0.148 62.590 62.300 0.238 0.000 1.106 211 V CB 0.824 32.795 31.823 0.246 0.000 0.957 211 V HN 0.862 nan 8.190 nan 0.000 0.486 212 S N 7.608 123.412 115.700 0.173 0.000 2.654 212 S HA 0.664 5.134 4.470 -0.000 0.000 0.283 212 S C -2.452 172.233 174.600 0.141 0.000 1.180 212 S CA -1.242 57.041 58.200 0.139 0.000 1.021 212 S CB 1.198 64.464 63.200 0.110 0.000 1.018 212 S HN 0.839 nan 8.310 nan 0.000 0.532 213 P HA 0.440 nan 4.420 nan 0.000 0.267 213 P C 0.026 177.377 177.300 0.084 0.000 1.200 213 P CA 0.024 63.167 63.100 0.073 0.000 0.772 213 P CB 0.279 32.004 31.700 0.042 0.000 0.855 214 G N -0.294 108.548 108.800 0.069 0.000 2.673 214 G HA2 0.527 4.487 3.960 -0.000 0.000 0.292 214 G HA3 0.527 4.487 3.960 -0.000 0.000 0.292 214 G C -1.349 173.559 174.900 0.014 0.000 1.450 214 G CA -0.388 44.758 45.100 0.077 0.000 0.837 214 G HN 0.553 nan 8.290 nan 0.000 0.505 215 A N 0.400 123.220 122.820 -0.001 0.000 2.520 215 A HA 0.541 4.861 4.320 -0.000 0.000 0.245 215 A C 1.404 178.956 177.584 -0.053 0.000 1.072 215 A CA 0.533 52.550 52.037 -0.033 0.000 0.761 215 A CB -0.427 18.548 19.000 -0.041 0.000 1.004 215 A HN 1.768 nan 8.150 nan 0.000 0.499 216 L N 0.624 121.780 121.223 -0.112 0.000 4.001 216 L HA -0.320 4.020 4.340 -0.000 0.000 0.413 216 L C 1.084 177.761 176.870 -0.323 0.000 1.185 216 L CA 0.633 55.358 54.840 -0.190 0.000 0.963 216 L CB -1.778 40.228 42.059 -0.089 0.000 1.976 216 L HN 1.002 nan 8.230 nan 0.000 0.939 217 D N 0.097 120.264 120.400 -0.387 0.000 2.117 217 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 217 D C 1.982 177.853 176.300 -0.716 0.000 0.982 217 D CA 1.396 54.894 54.000 -0.836 0.000 0.828 217 D CB -0.118 40.359 40.800 -0.539 0.000 0.967 217 D HN 0.437 nan 8.370 nan 0.000 0.464 218 A N 0.796 123.379 122.820 -0.394 0.000 1.908 218 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 218 A C 2.123 179.542 177.584 -0.276 0.000 1.181 218 A CA 1.966 53.864 52.037 -0.231 0.000 0.627 218 A CB -0.711 18.245 19.000 -0.073 0.000 0.818 218 A HN 0.199 nan 8.150 nan 0.000 0.445 219 E N -0.332 119.518 120.200 -0.583 0.000 2.150 219 E HA 0.075 4.425 4.350 -0.000 0.000 0.193 219 E C 2.010 178.478 176.600 -0.221 0.000 0.985 219 E CA 1.321 57.325 56.400 -0.661 0.000 0.814 219 E CB -0.258 28.952 29.700 -0.816 0.000 0.752 219 E HN 0.605 nan 8.360 nan 0.000 0.466 220 A N -0.460 122.235 122.820 -0.209 0.000 2.035 220 A HA 0.085 4.405 4.320 -0.000 0.000 0.208 220 A C 0.880 178.563 177.584 0.164 0.000 1.206 220 A CA 0.711 52.755 52.037 0.012 0.000 0.773 220 A CB -0.003 19.075 19.000 0.129 0.000 0.878 220 A HN 0.421 nan 8.150 nan 0.000 0.469 221 Y N -4.389 115.940 120.300 0.049 0.000 3.022 221 Y HA 0.454 5.004 4.550 -0.000 0.000 0.275 221 Y C 0.930 176.861 175.900 0.051 0.000 1.071 221 Y CA -0.413 57.730 58.100 0.071 0.000 1.276 221 Y CB -0.435 38.073 38.460 0.080 0.000 1.325 221 Y HN -0.008 nan 8.280 nan 0.000 0.594 222 G N 0.859 109.583 108.800 -0.127 0.000 3.141 222 G HA2 0.320 4.280 3.960 -0.000 0.000 0.218 222 G HA3 0.320 4.280 3.960 -0.000 0.000 0.218 222 G C -0.144 174.735 174.900 -0.034 0.000 1.170 222 G CA 0.155 45.203 45.100 -0.088 0.000 0.769 222 G HN 0.125 nan 8.290 nan 0.000 0.546 223 V N 0.536 120.439 119.914 -0.018 0.000 2.546 223 V HA 0.389 4.509 4.120 -0.000 0.000 0.284 223 V C -0.284 175.727 176.094 -0.138 0.000 1.050 223 V CA -0.489 61.749 62.300 -0.103 0.000 0.981 223 V CB 1.461 33.166 31.823 -0.197 0.000 0.990 223 V HN 0.131 nan 8.190 nan 0.000 0.474 224 K N 2.551 122.822 120.400 -0.214 0.000 2.292 224 K HA 0.769 5.089 4.320 -0.000 0.000 0.257 224 K C -0.492 175.972 176.600 -0.226 0.000 0.940 224 K CA -0.113 56.032 56.287 -0.237 0.000 0.811 224 K CB 1.957 34.209 32.500 -0.414 0.000 1.120 224 K HN 0.696 nan 8.250 nan 0.000 0.428 225 S N 0.281 115.918 115.700 -0.106 0.000 2.638 225 S HA 0.612 5.082 4.470 -0.000 0.000 0.274 225 S C -1.145 173.520 174.600 0.109 0.000 1.157 225 S CA -0.741 57.414 58.200 -0.076 0.000 0.826 225 S CB 1.040 64.165 63.200 -0.123 0.000 1.139 225 S HN 0.676 nan 8.310 nan 0.000 0.474 226 T N 0.163 114.782 114.554 0.109 0.000 2.927 226 T HA 0.506 4.856 4.350 -0.000 0.000 0.281 226 T C 1.239 176.047 174.700 0.180 0.000 0.998 226 T CA -0.546 61.666 62.100 0.186 0.000 1.019 226 T CB 0.825 69.752 68.868 0.098 0.000 1.061 226 T HN 0.434 nan 8.240 nan 0.000 0.518 227 I N 0.444 121.132 120.570 0.198 0.000 2.454 227 I HA -0.027 4.143 4.170 -0.000 0.000 0.254 227 I C 2.407 178.673 176.117 0.247 0.000 1.156 227 I CA 1.445 62.871 61.300 0.210 0.000 1.433 227 I CB -0.551 37.594 38.000 0.241 0.000 1.082 227 I HN 0.957 nan 8.210 nan 0.000 0.432 228 E N 0.002 120.252 120.200 0.082 0.000 2.046 228 E HA -0.235 4.115 4.350 -0.000 0.000 0.190 228 E C 1.654 178.357 176.600 0.172 0.000 0.982 228 E CA 1.424 57.866 56.400 0.070 0.000 0.800 228 E CB -0.044 29.574 29.700 -0.137 0.000 0.756 228 E HN 0.435 nan 8.360 nan 0.000 0.449 229 D N -0.005 120.473 120.400 0.129 0.000 2.144 229 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 229 D C 1.851 178.281 176.300 0.216 0.000 0.984 229 D CA 0.936 55.011 54.000 0.125 0.000 0.834 229 D CB -0.050 40.764 40.800 0.022 0.000 0.955 229 D HN 0.220 nan 8.370 nan 0.000 0.465 230 M N 0.267 120.009 119.600 0.237 0.000 2.229 230 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 230 M C 2.179 178.665 176.300 0.310 0.000 1.063 230 M CA 0.646 56.142 55.300 0.327 0.000 1.114 230 M CB -1.021 31.745 32.600 0.277 0.000 1.387 230 M HN -0.023 nan 8.290 nan 0.000 0.420 231 A N -0.290 122.688 122.820 0.264 0.000 1.930 231 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 231 A C 2.385 180.044 177.584 0.125 0.000 1.175 231 A CA 1.625 53.771 52.037 0.181 0.000 0.627 231 A CB -0.631 18.494 19.000 0.209 0.000 0.815 231 A HN 0.452 nan 8.150 nan 0.000 0.443 232 R N -1.345 119.259 120.500 0.174 0.000 2.092 232 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 232 R C 2.126 178.530 176.300 0.174 0.000 1.119 232 R CA 1.362 57.543 56.100 0.135 0.000 0.970 232 R CB -0.357 30.031 30.300 0.146 0.000 0.864 232 R HN 0.835 nan 8.270 nan 0.000 0.440 233 W N 0.518 121.850 121.300 0.053 0.000 2.358 233 W HA -0.204 4.456 4.660 0.000 0.000 0.303 233 W C 1.369 177.841 176.519 -0.079 0.000 1.208 233 W CA 1.198 58.571 57.345 0.046 0.000 1.274 233 W CB -0.040 29.502 29.460 0.138 0.000 1.138 233 W HN -0.040 nan 8.180 nan 0.000 0.515 234 V N 1.441 121.273 119.914 -0.137 0.000 2.358 234 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 234 V C 2.377 178.132 176.094 -0.565 0.000 1.047 234 V CA 2.268 64.284 62.300 -0.474 0.000 1.035 234 V CB -0.969 30.708 31.823 -0.243 0.000 0.658 234 V HN 0.257 nan 8.190 nan 0.000 0.452 235 Q N -0.142 119.475 119.800 -0.305 0.000 2.124 235 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 235 Q C 2.440 178.252 176.000 -0.312 0.000 0.977 235 Q CA 1.900 57.541 55.803 -0.271 0.000 0.850 235 Q CB -0.293 28.358 28.738 -0.144 0.000 0.901 235 Q HN 0.610 nan 8.270 nan 0.000 0.429 236 S N 1.003 116.525 115.700 -0.297 0.000 2.383 236 S HA -0.067 4.403 4.470 -0.000 0.000 0.227 236 S C 1.507 175.842 174.600 -0.440 0.000 1.026 236 S CA 0.887 58.918 58.200 -0.282 0.000 0.981 236 S CB -0.133 62.970 63.200 -0.162 0.000 0.818 236 S HN 0.382 nan 8.310 nan 0.000 0.472 237 N N 1.012 119.273 118.700 -0.730 0.000 2.416 237 N HA 0.169 4.908 4.740 -0.000 0.000 0.177 237 N C 1.529 176.557 175.510 -0.803 0.000 1.036 237 N CA 0.355 52.900 53.050 -0.841 0.000 0.901 237 N CB -0.053 37.694 38.487 -1.233 0.000 0.976 237 N HN 0.330 nan 8.380 nan 0.000 0.444 238 L N 0.613 121.355 121.223 -0.802 0.000 2.044 238 L HA -0.028 4.312 4.340 -0.000 0.000 0.205 238 L C 0.393 177.091 176.870 -0.287 0.000 1.075 238 L CA 1.204 55.736 54.840 -0.513 0.000 0.747 238 L CB 0.125 41.925 42.059 -0.432 0.000 0.903 238 L HN -0.065 nan 8.230 nan 0.000 0.435 239 K N -0.369 119.873 120.400 -0.263 0.000 2.753 239 K HA 0.194 4.514 4.320 -0.000 0.000 0.185 239 K C -1.911 174.595 176.600 -0.155 0.000 1.071 239 K CA -1.206 54.976 56.287 -0.175 0.000 0.999 239 K CB 1.346 33.760 32.500 -0.144 0.000 1.244 239 K HN -0.096 nan 8.250 nan 0.000 0.594 240 P HA -0.174 nan 4.420 nan 0.000 0.221 240 P C 1.035 178.289 177.300 -0.077 0.000 1.145 240 P CA 0.991 64.022 63.100 -0.115 0.000 0.795 240 P CB 0.281 31.919 31.700 -0.103 0.000 0.775 241 L N -0.256 120.924 121.223 -0.073 0.000 2.265 241 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 241 L C 1.739 178.579 176.870 -0.050 0.000 1.117 241 L CA 1.266 56.074 54.840 -0.054 0.000 0.782 241 L CB -0.994 41.033 42.059 -0.053 0.000 0.914 241 L HN -0.075 nan 8.230 nan 0.000 0.441 242 D N 0.095 120.459 120.400 -0.060 0.000 2.363 242 D HA 0.058 4.698 4.640 -0.000 0.000 0.226 242 D C 0.334 176.610 176.300 -0.039 0.000 1.020 242 D CA 0.574 54.544 54.000 -0.051 0.000 0.892 242 D CB 0.048 40.812 40.800 -0.061 0.000 0.900 242 D HN 0.152 nan 8.370 nan 0.000 0.531 243 I N 1.788 122.336 120.570 -0.037 0.000 2.337 243 I HA 0.036 4.206 4.170 -0.000 0.000 0.291 243 I C 1.398 177.506 176.117 -0.015 0.000 1.046 243 I CA -0.367 60.920 61.300 -0.021 0.000 1.324 243 I CB 0.857 38.847 38.000 -0.017 0.000 1.409 243 I HN -0.208 nan 8.210 nan 0.000 0.494 244 N N 4.285 122.978 118.700 -0.011 0.000 2.069 244 N HA -0.153 4.587 4.740 -0.000 0.000 0.191 244 N C 0.253 175.758 175.510 -0.008 0.000 1.031 244 N CA 1.054 54.098 53.050 -0.010 0.000 0.852 244 N CB -0.195 38.286 38.487 -0.009 0.000 1.018 244 N HN 0.539 nan 8.380 nan 0.000 0.423 245 E N 1.203 121.401 120.200 -0.004 0.000 2.238 245 E HA 0.158 4.508 4.350 -0.000 0.000 0.264 245 E C 1.255 177.854 176.600 -0.002 0.000 1.136 245 E CA 0.112 56.510 56.400 -0.003 0.000 0.929 245 E CB 0.212 29.912 29.700 -0.000 0.000 1.010 245 E HN 0.302 nan 8.360 nan 0.000 0.440 246 K N 2.573 122.971 120.400 -0.004 0.000 2.059 246 K HA -0.248 4.072 4.320 -0.000 0.000 0.212 246 K C 2.043 178.644 176.600 0.002 0.000 1.050 246 K CA 2.511 58.796 56.287 -0.003 0.000 0.927 246 K CB -1.669 30.828 32.500 -0.005 0.000 0.714 246 K HN 0.680 nan 8.250 nan 0.000 0.447 247 T N -1.022 113.534 114.554 0.002 0.000 2.915 247 T HA -0.026 4.324 4.350 -0.000 0.000 0.269 247 T C 1.981 176.691 174.700 0.018 0.000 1.071 247 T CA 1.265 63.369 62.100 0.008 0.000 1.132 247 T CB -0.144 68.725 68.868 0.001 0.000 0.878 247 T HN 0.258 nan 8.240 nan 0.000 0.479 248 L N 1.023 122.257 121.223 0.018 0.000 2.072 248 L HA 0.142 4.482 4.340 -0.000 0.000 0.205 248 L C 2.788 179.678 176.870 0.034 0.000 1.079 248 L CA 1.687 56.550 54.840 0.038 0.000 0.752 248 L CB -0.995 41.090 42.059 0.044 0.000 0.906 248 L HN 0.337 nan 8.230 nan 0.000 0.436 249 Q N -0.647 119.161 119.800 0.014 0.000 2.045 249 Q HA -0.337 4.003 4.340 -0.000 0.000 0.206 249 Q C 2.322 178.324 176.000 0.003 0.000 0.991 249 Q CA 2.544 58.345 55.803 -0.003 0.000 0.851 249 Q CB -0.307 28.424 28.738 -0.011 0.000 0.911 249 Q HN 0.724 nan 8.270 nan 0.000 0.418 250 Q N -0.950 118.858 119.800 0.012 0.000 2.124 250 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 250 Q C 1.899 177.926 176.000 0.044 0.000 0.977 250 Q CA 1.448 57.263 55.803 0.020 0.000 0.850 250 Q CB -0.321 28.428 28.738 0.019 0.000 0.901 250 Q HN 0.528 nan 8.270 nan 0.000 0.429 251 G N 1.040 109.874 108.800 0.056 0.000 2.402 251 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 251 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 251 G C 1.399 176.367 174.900 0.114 0.000 1.162 251 G CA 0.766 45.920 45.100 0.090 0.000 0.777 251 G HN 0.363 nan 8.290 nan 0.000 0.539 252 I N 0.159 120.779 120.570 0.083 0.000 2.226 252 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 252 I C 3.012 179.162 176.117 0.056 0.000 1.100 252 I CA 1.140 62.479 61.300 0.065 0.000 1.374 252 I CB -0.266 37.715 38.000 -0.031 0.000 1.057 252 I HN 0.245 nan 8.210 nan 0.000 0.413 253 Q N 0.496 120.313 119.800 0.028 0.000 2.084 253 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 253 Q C 2.384 178.416 176.000 0.053 0.000 0.978 253 Q CA 1.335 57.147 55.803 0.014 0.000 0.844 253 Q CB -0.096 28.639 28.738 -0.006 0.000 0.898 253 Q HN 0.516 nan 8.270 nan 0.000 0.426 254 L N 0.006 121.283 121.223 0.090 0.000 2.131 254 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 254 L C 2.349 179.366 176.870 0.244 0.000 1.092 254 L CA 0.793 55.721 54.840 0.146 0.000 0.759 254 L CB -0.474 41.682 42.059 0.161 0.000 0.903 254 L HN 0.204 nan 8.230 nan 0.000 0.435 255 A N -0.908 122.060 122.820 0.247 0.000 2.121 255 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 255 A C 2.013 179.818 177.584 0.368 0.000 1.154 255 A CA 1.063 53.303 52.037 0.339 0.000 0.679 255 A CB -0.221 19.015 19.000 0.393 0.000 0.795 255 A HN 0.493 nan 8.150 nan 0.000 0.458 256 Q N -0.067 119.862 119.800 0.216 0.000 2.247 256 Q HA 0.194 4.534 4.340 -0.000 0.000 0.204 256 Q C -0.196 175.820 176.000 0.026 0.000 0.872 256 Q CA -0.324 55.550 55.803 0.119 0.000 0.951 256 Q CB 0.495 29.233 28.738 -0.001 0.000 1.099 256 Q HN 0.502 nan 8.270 nan 0.000 0.501 257 S N 0.883 116.573 115.700 -0.016 0.000 2.585 257 S HA 0.241 4.711 4.470 -0.000 0.000 0.273 257 S C 0.064 174.455 174.600 -0.348 0.000 1.339 257 S CA -0.195 57.838 58.200 -0.279 0.000 1.028 257 S CB 0.625 63.511 63.200 -0.523 0.000 0.906 257 S HN 0.233 nan 8.310 nan 0.000 0.528 258 R N 1.361 121.642 120.500 -0.365 0.000 2.198 258 R HA 0.245 4.585 4.340 -0.000 0.000 0.339 258 R C -0.337 175.796 176.300 -0.279 0.000 1.020 258 R CA -0.142 55.854 56.100 -0.173 0.000 0.864 258 R CB 0.381 30.568 30.300 -0.188 0.000 1.105 258 R HN 0.692 nan 8.270 nan 0.000 0.463 259 Y N 0.714 121.015 120.300 0.002 0.000 2.436 259 Y HA 0.114 4.664 4.550 0.000 0.000 0.288 259 Y C 0.177 175.770 175.900 -0.512 0.000 1.112 259 Y CA 0.384 58.326 58.100 -0.263 0.000 1.220 259 Y CB 0.486 38.790 38.460 -0.260 0.000 1.073 259 Y HN 0.462 nan 8.280 nan 0.000 0.552 260 W N -0.300 121.169 121.300 0.280 0.000 3.083 260 W HA 0.555 5.215 4.660 0.000 0.000 0.333 260 W C -0.860 175.771 176.519 0.188 0.000 1.217 260 W CA -1.044 56.422 57.345 0.202 0.000 1.170 260 W CB 1.108 30.668 29.460 0.167 0.000 1.437 260 W HN -0.440 nan 8.180 nan 0.000 0.557 261 Q N 1.121 121.124 119.800 0.339 0.000 2.375 261 Q HA 0.708 5.048 4.340 -0.000 0.000 0.271 261 Q C -1.300 174.718 176.000 0.030 0.000 1.074 261 Q CA -0.530 55.298 55.803 0.042 0.000 0.808 261 Q CB 2.534 31.223 28.738 -0.081 0.000 1.327 261 Q HN 0.437 nan 8.270 nan 0.000 0.441 262 T N 2.447 116.958 114.554 -0.072 0.000 3.170 262 T HA 0.590 4.940 4.350 -0.000 0.000 0.315 262 T C 0.267 174.908 174.700 -0.098 0.000 0.967 262 T CA 0.708 62.780 62.100 -0.047 0.000 1.024 262 T CB 0.557 69.423 68.868 -0.004 0.000 1.018 262 T HN 1.132 nan 8.240 nan 0.000 0.449 263 G N 5.375 114.119 108.800 -0.094 0.000 2.583 263 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.292 263 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.292 263 G C 0.275 175.081 174.900 -0.155 0.000 1.203 263 G CA 0.792 45.834 45.100 -0.096 0.000 0.987 263 G HN 1.059 nan 8.290 nan 0.000 0.554 264 D N 0.165 120.486 120.400 -0.133 0.000 2.388 264 D HA 0.319 4.959 4.640 -0.000 0.000 0.221 264 D C 0.990 177.190 176.300 -0.168 0.000 1.133 264 D CA 0.263 54.175 54.000 -0.146 0.000 0.831 264 D CB 0.041 40.801 40.800 -0.066 0.000 0.962 264 D HN 0.593 nan 8.370 nan 0.000 0.502 265 M N 0.736 120.213 119.600 -0.206 0.000 2.404 265 M HA 0.444 4.924 4.480 -0.000 0.000 0.338 265 M C -1.751 174.427 176.300 -0.203 0.000 1.150 265 M CA -0.701 54.560 55.300 -0.064 0.000 1.016 265 M CB 1.763 34.405 32.600 0.070 0.000 1.672 265 M HN -0.179 nan 8.290 nan 0.000 0.448 266 Y N 1.663 122.076 120.300 0.188 0.000 2.409 266 Y HA 0.398 4.948 4.550 -0.000 0.000 0.343 266 Y C -0.429 175.633 175.900 0.269 0.000 0.973 266 Y CA -0.762 57.461 58.100 0.205 0.000 1.064 266 Y CB 1.638 40.184 38.460 0.143 0.000 1.207 266 Y HN 0.556 nan 8.280 nan 0.000 0.452 267 Q N 1.868 121.950 119.800 0.469 0.000 2.274 267 Q HA 0.583 4.923 4.340 -0.000 0.000 0.256 267 Q C -0.012 176.277 176.000 0.482 0.000 0.927 267 Q CA -0.178 55.898 55.803 0.456 0.000 0.939 267 Q CB 1.222 30.239 28.738 0.465 0.000 1.201 267 Q HN 0.906 nan 8.270 nan 0.000 0.426 268 G N 2.737 111.795 108.800 0.429 0.000 2.782 268 G HA2 0.493 4.452 3.960 -0.000 0.000 0.201 268 G HA3 0.493 4.452 3.960 -0.000 0.000 0.201 268 G C -0.957 174.125 174.900 0.303 0.000 1.374 268 G CA -0.814 44.563 45.100 0.461 0.000 1.039 268 G HN 0.585 nan 8.290 nan 0.000 0.576 269 L N 1.186 122.564 121.223 0.258 0.000 2.288 269 L HA 0.458 4.798 4.340 -0.000 0.000 0.283 269 L C 1.316 178.244 176.870 0.096 0.000 1.072 269 L CA 0.511 55.372 54.840 0.035 0.000 0.862 269 L CB 0.505 42.589 42.059 0.042 0.000 1.245 269 L HN 1.052 nan 8.230 nan 0.000 0.432 270 G N 2.051 110.874 108.800 0.039 0.000 4.526 270 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 270 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 270 G C -0.030 174.928 174.900 0.097 0.000 1.428 270 G CA -0.297 44.818 45.100 0.025 0.000 0.928 270 G HN 0.492 nan 8.290 nan 0.000 0.639 271 W N 2.429 123.857 121.300 0.214 0.000 2.158 271 W HA 0.580 5.240 4.660 -0.000 0.000 0.339 271 W C 0.850 177.513 176.519 0.240 0.000 1.294 271 W CA -0.199 57.269 57.345 0.204 0.000 1.231 271 W CB 0.431 29.985 29.460 0.156 0.000 1.143 271 W HN 0.337 nan 8.180 nan 0.000 0.571 272 E N 1.539 122.080 120.200 0.568 0.000 2.244 272 E HA 0.596 4.946 4.350 -0.000 0.000 0.266 272 E C -0.771 176.123 176.600 0.490 0.000 0.914 272 E CA -1.097 55.606 56.400 0.506 0.000 0.794 272 E CB 1.683 31.678 29.700 0.492 0.000 1.210 272 E HN 0.192 nan 8.360 nan 0.000 0.414 273 M N 1.667 121.513 119.600 0.411 0.000 2.593 273 M HA 0.500 4.980 4.480 -0.000 0.000 0.290 273 M C -1.645 174.885 176.300 0.384 0.000 1.244 273 M CA -0.402 55.084 55.300 0.310 0.000 0.857 273 M CB 1.803 34.511 32.600 0.180 0.000 1.738 273 M HN 0.286 nan 8.290 nan 0.000 0.461 274 L N 0.264 121.681 121.223 0.324 0.000 2.434 274 L HA 0.523 4.863 4.340 -0.000 0.000 0.260 274 L C -0.931 176.113 176.870 0.290 0.000 0.983 274 L CA -0.664 54.374 54.840 0.329 0.000 0.820 274 L CB 2.020 44.196 42.059 0.195 0.000 1.361 274 L HN 0.545 nan 8.230 nan 0.000 0.410 275 D N 0.998 121.557 120.400 0.266 0.000 2.443 275 D HA -0.020 4.620 4.640 -0.000 0.000 0.239 275 D C -0.940 175.501 176.300 0.235 0.000 1.136 275 D CA 0.241 54.359 54.000 0.197 0.000 0.879 275 D CB 1.161 42.046 40.800 0.142 0.000 1.195 275 D HN 0.358 nan 8.370 nan 0.000 0.443 276 W N 4.584 125.940 121.300 0.092 0.000 2.469 276 W HA 0.282 4.942 4.660 -0.000 0.000 0.320 276 W C -2.226 174.342 176.519 0.083 0.000 1.086 276 W CA -1.787 55.629 57.345 0.119 0.000 1.211 276 W CB 1.199 30.741 29.460 0.135 0.000 1.298 276 W HN 0.249 nan 8.180 nan 0.000 0.525 277 P HA 0.137 nan 4.420 nan 0.000 0.272 277 P C -1.050 175.879 177.300 -0.620 0.000 1.223 277 P CA -0.134 62.090 63.100 -1.460 0.000 0.784 277 P CB 2.275 33.363 31.700 -1.019 0.000 0.923 278 V N 1.939 121.518 119.914 -0.558 0.000 2.881 278 V HA 0.298 4.418 4.120 -0.000 0.000 0.316 278 V C 0.111 175.977 176.094 -0.380 0.000 1.070 278 V CA -0.996 61.129 62.300 -0.293 0.000 0.976 278 V CB 1.716 33.405 31.823 -0.224 0.000 1.038 278 V HN 0.665 nan 8.190 nan 0.000 0.446 279 N N 5.478 123.968 118.700 -0.350 0.000 2.408 279 N HA 0.286 5.026 4.740 -0.000 0.000 0.257 279 N C -1.548 173.620 175.510 -0.570 0.000 1.064 279 N CA -1.744 51.071 53.050 -0.393 0.000 0.952 279 N CB 1.799 40.124 38.487 -0.270 0.000 1.093 279 N HN 0.409 nan 8.380 nan 0.000 0.490 280 P HA -0.161 nan 4.420 nan 0.000 0.215 280 P C 0.417 177.356 177.300 -0.603 0.000 1.157 280 P CA 1.277 63.707 63.100 -1.117 0.000 0.874 280 P CB 0.449 31.108 31.700 -1.736 0.000 0.790 281 D N -0.342 119.794 120.400 -0.441 0.000 2.182 281 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 281 D C 2.191 178.352 176.300 -0.232 0.000 0.986 281 D CA 1.166 55.001 54.000 -0.275 0.000 0.847 281 D CB -0.610 40.066 40.800 -0.208 0.000 0.942 281 D HN 0.202 nan 8.370 nan 0.000 0.467 282 S N 0.418 115.964 115.700 -0.256 0.000 2.368 282 S HA -0.095 4.375 4.470 -0.000 0.000 0.224 282 S C 2.158 176.660 174.600 -0.164 0.000 1.029 282 S CA 0.790 58.876 58.200 -0.190 0.000 0.988 282 S CB -0.154 62.936 63.200 -0.184 0.000 0.838 282 S HN 0.400 nan 8.310 nan 0.000 0.462 283 I N -1.272 119.156 120.570 -0.236 0.000 2.584 283 I HA 0.066 4.236 4.170 -0.000 0.000 0.255 283 I C 2.023 178.098 176.117 -0.070 0.000 1.145 283 I CA 0.862 62.082 61.300 -0.134 0.000 1.462 283 I CB -0.495 37.330 38.000 -0.292 0.000 1.102 283 I HN 0.215 nan 8.210 nan 0.000 0.433 284 I N 2.348 122.829 120.570 -0.148 0.000 2.133 284 I HA -0.239 3.931 4.170 -0.000 0.000 0.238 284 I C 2.235 178.302 176.117 -0.084 0.000 1.074 284 I CA 2.060 63.295 61.300 -0.108 0.000 1.342 284 I CB -0.701 37.220 38.000 -0.131 0.000 1.053 284 I HN 0.289 nan 8.210 nan 0.000 0.404 285 N N 0.682 119.326 118.700 -0.094 0.000 2.166 285 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 285 N C 1.930 177.406 175.510 -0.057 0.000 1.019 285 N CA 1.089 54.095 53.050 -0.074 0.000 0.856 285 N CB -0.325 38.114 38.487 -0.079 0.000 0.993 285 N HN 0.397 nan 8.380 nan 0.000 0.426 286 G N 0.439 109.209 108.800 -0.049 0.000 2.470 286 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 286 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 286 G C 1.525 176.415 174.900 -0.016 0.000 1.121 286 G CA 1.018 46.104 45.100 -0.022 0.000 0.766 286 G HN 0.434 nan 8.290 nan 0.000 0.553 287 S N -0.525 115.162 115.700 -0.021 0.000 2.527 287 S HA 0.039 4.509 4.470 -0.000 0.000 0.222 287 S C 0.741 175.294 174.600 -0.078 0.000 0.985 287 S CA -0.059 58.113 58.200 -0.046 0.000 0.921 287 S CB 0.040 63.208 63.200 -0.054 0.000 0.772 287 S HN 0.342 nan 8.310 nan 0.000 0.529 288 D N 1.751 122.112 120.400 -0.065 0.000 2.424 288 D HA 0.088 4.727 4.640 -0.000 0.000 0.244 288 D C 0.540 176.801 176.300 -0.066 0.000 1.134 288 D CA 0.102 54.065 54.000 -0.062 0.000 0.881 288 D CB 0.435 41.206 40.800 -0.050 0.000 1.191 288 D HN 0.317 nan 8.370 nan 0.000 0.445 289 N N 2.141 120.802 118.700 -0.064 0.000 2.272 289 N HA -0.194 4.546 4.740 -0.000 0.000 0.185 289 N C 1.650 177.134 175.510 -0.043 0.000 1.014 289 N CA 0.723 53.735 53.050 -0.063 0.000 0.870 289 N CB 0.120 38.577 38.487 -0.049 0.000 0.975 289 N HN 0.534 nan 8.380 nan 0.000 0.433 290 K N 0.691 121.072 120.400 -0.032 0.000 2.362 290 K HA -0.070 4.250 4.320 -0.000 0.000 0.200 290 K C 1.486 178.071 176.600 -0.024 0.000 1.046 290 K CA 1.041 57.315 56.287 -0.021 0.000 0.952 290 K CB 0.080 32.569 32.500 -0.018 0.000 0.753 290 K HN 0.257 nan 8.250 nan 0.000 0.466 291 I N 0.812 121.361 120.570 -0.036 0.000 2.900 291 I HA 0.016 4.186 4.170 -0.000 0.000 0.251 291 I C 2.476 178.566 176.117 -0.045 0.000 1.102 291 I CA 0.522 61.800 61.300 -0.036 0.000 1.457 291 I CB -0.243 37.735 38.000 -0.038 0.000 1.285 291 I HN 0.185 nan 8.210 nan 0.000 0.459 292 A N 1.033 123.811 122.820 -0.071 0.000 2.032 292 A HA -0.134 4.186 4.320 -0.000 0.000 0.221 292 A C 2.095 179.603 177.584 -0.126 0.000 1.165 292 A CA 1.484 53.451 52.037 -0.118 0.000 0.645 292 A CB -0.669 18.218 19.000 -0.189 0.000 0.807 292 A HN 0.443 nan 8.150 nan 0.000 0.453 293 L N -1.193 119.983 121.223 -0.078 0.000 2.607 293 L HA 0.239 4.579 4.340 -0.000 0.000 0.228 293 L C 1.172 178.056 176.870 0.024 0.000 1.123 293 L CA -0.062 54.767 54.840 -0.018 0.000 0.890 293 L CB -0.303 41.754 42.059 -0.004 0.000 1.103 293 L HN 0.386 nan 8.230 nan 0.000 0.468 294 A N 0.757 123.580 122.820 0.006 0.000 2.340 294 A HA 0.628 4.948 4.320 -0.000 0.000 0.268 294 A C 0.472 178.058 177.584 0.003 0.000 1.100 294 A CA -0.180 51.867 52.037 0.017 0.000 0.803 294 A CB 0.464 19.462 19.000 -0.003 0.000 1.043 294 A HN 0.207 nan 8.150 nan 0.000 0.488 295 A N 2.260 125.082 122.820 0.003 0.000 2.462 295 A HA 0.571 4.891 4.320 -0.000 0.000 0.243 295 A C 0.508 177.984 177.584 -0.179 0.000 1.076 295 A CA 0.023 51.988 52.037 -0.119 0.000 0.773 295 A CB 0.146 18.999 19.000 -0.245 0.000 1.010 295 A HN 0.815 nan 8.150 nan 0.000 0.493 296 R N 2.198 122.568 120.500 -0.216 0.000 2.604 296 R HA 0.405 4.745 4.340 -0.000 0.000 0.281 296 R C -3.041 173.130 176.300 -0.215 0.000 1.020 296 R CA -1.837 54.157 56.100 -0.177 0.000 0.899 296 R CB 2.498 32.742 30.300 -0.093 0.000 1.205 296 R HN 0.565 nan 8.270 nan 0.000 0.450 297 P HA 0.046 nan 4.420 nan 0.000 0.268 297 P C -0.351 176.893 177.300 -0.092 0.000 1.205 297 P CA -0.164 62.831 63.100 -0.175 0.000 0.771 297 P CB 0.984 32.605 31.700 -0.132 0.000 0.858 298 V N -1.770 118.104 119.914 -0.067 0.000 2.815 298 V HA 0.894 5.014 4.120 -0.000 0.000 0.314 298 V C -0.084 176.134 176.094 0.207 0.000 1.064 298 V CA -1.212 61.129 62.300 0.068 0.000 0.952 298 V CB 1.080 32.925 31.823 0.037 0.000 1.020 298 V HN 0.604 nan 8.190 nan 0.000 0.439 299 K N 1.412 121.978 120.400 0.277 0.000 2.274 299 K HA 0.910 5.230 4.320 -0.000 0.000 0.262 299 K C 0.082 176.895 176.600 0.355 0.000 0.961 299 K CA -0.331 56.111 56.287 0.259 0.000 0.833 299 K CB 1.316 33.901 32.500 0.142 0.000 1.102 299 K HN 2.035 nan 8.250 nan 0.000 0.436 300 A N 2.037 125.036 122.820 0.298 0.000 2.477 300 A HA 0.575 4.895 4.320 -0.000 0.000 0.246 300 A C 0.030 177.572 177.584 -0.070 0.000 1.078 300 A CA -0.235 51.782 52.037 -0.034 0.000 0.770 300 A CB -0.406 18.557 19.000 -0.061 0.000 1.011 300 A HN 0.782 nan 8.150 nan 0.000 0.494 301 I N 3.212 123.669 120.570 -0.188 0.000 2.337 301 I HA 0.217 4.387 4.170 -0.000 0.000 0.285 301 I C 0.270 176.293 176.117 -0.157 0.000 1.041 301 I CA -0.091 61.149 61.300 -0.101 0.000 1.199 301 I CB 1.052 39.011 38.000 -0.067 0.000 1.370 301 I HN 0.700 nan 8.210 nan 0.000 0.470 302 T N 3.885 118.380 114.554 -0.100 0.000 2.842 302 T HA 0.599 4.949 4.350 -0.000 0.000 0.308 302 T C -1.548 173.116 174.700 -0.060 0.000 1.041 302 T CA -1.232 60.815 62.100 -0.089 0.000 0.964 302 T CB 1.159 69.990 68.868 -0.062 0.000 0.972 302 T HN 0.370 nan 8.240 nan 0.000 0.460 303 P HA 0.544 nan 4.420 nan 0.000 0.281 303 P C -3.035 174.182 177.300 -0.138 0.000 1.281 303 P CA -2.083 60.962 63.100 -0.092 0.000 0.811 303 P CB -0.050 31.609 31.700 -0.068 0.000 1.154 304 P HA 0.070 nan 4.420 nan 0.000 0.265 304 P C -0.309 176.833 177.300 -0.262 0.000 1.193 304 P CA 0.495 63.402 63.100 -0.321 0.000 0.765 304 P CB -0.045 31.324 31.700 -0.553 0.000 0.823 305 T N 5.951 120.353 114.554 -0.253 0.000 2.851 305 T HA 0.234 4.584 4.350 -0.000 0.000 0.298 305 T C -2.104 172.464 174.700 -0.220 0.000 0.977 305 T CA -1.034 60.944 62.100 -0.203 0.000 1.126 305 T CB -0.096 68.650 68.868 -0.204 0.000 0.916 305 T HN 0.261 nan 8.240 nan 0.000 0.529 306 P HA 0.204 nan 4.420 nan 0.000 0.269 306 P C -0.519 176.701 177.300 -0.133 0.000 1.215 306 P CA -0.459 62.559 63.100 -0.137 0.000 0.780 306 P CB 0.299 31.941 31.700 -0.096 0.000 0.898 307 A N 2.482 125.237 122.820 -0.109 0.000 2.591 307 A HA 0.025 4.345 4.320 -0.000 0.000 0.244 307 A C 0.166 177.692 177.584 -0.097 0.000 1.031 307 A CA 0.322 52.301 52.037 -0.097 0.000 0.767 307 A CB -0.768 18.190 19.000 -0.069 0.000 0.942 307 A HN 0.377 nan 8.150 nan 0.000 0.514 308 V N 6.204 126.052 119.914 -0.109 0.000 2.385 308 V HA 0.115 4.235 4.120 -0.000 0.000 0.269 308 V C 1.518 177.572 176.094 -0.066 0.000 1.043 308 V CA -0.329 61.916 62.300 -0.093 0.000 0.906 308 V CB 0.802 32.553 31.823 -0.119 0.000 0.995 308 V HN 1.064 nan 8.190 nan 0.000 0.467 309 R N 3.887 124.357 120.500 -0.051 0.000 2.091 309 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 309 R C 1.302 177.590 176.300 -0.021 0.000 1.136 309 R CA 1.530 57.604 56.100 -0.043 0.000 0.959 309 R CB -0.173 30.104 30.300 -0.039 0.000 0.856 309 R HN 0.706 nan 8.270 nan 0.000 0.437 310 A N 1.901 124.735 122.820 0.023 0.000 3.063 310 A HA 0.260 4.580 4.320 -0.000 0.000 0.263 310 A C -0.541 177.141 177.584 0.164 0.000 1.736 310 A CA -0.018 52.087 52.037 0.113 0.000 1.408 310 A CB 0.025 19.113 19.000 0.147 0.000 1.108 310 A HN 0.103 nan 8.150 nan 0.000 0.621 311 S N 0.619 116.380 115.700 0.102 0.000 2.569 311 S HA 0.543 5.013 4.470 -0.000 0.000 0.280 311 S C -0.966 173.700 174.600 0.111 0.000 1.111 311 S CA -0.609 57.664 58.200 0.122 0.000 0.887 311 S CB 1.259 64.446 63.200 -0.021 0.000 1.095 311 S HN 0.698 nan 8.310 nan 0.000 0.476 312 W N 3.635 124.954 121.300 0.031 0.000 2.316 312 W HA 0.582 5.242 4.660 -0.000 0.000 0.308 312 W C -1.906 174.466 176.519 -0.245 0.000 1.106 312 W CA -0.519 56.794 57.345 -0.054 0.000 1.262 312 W CB 0.610 30.151 29.460 0.135 0.000 1.233 312 W HN 0.351 nan 8.180 nan 0.000 0.447 313 V N 7.642 127.069 119.914 -0.811 0.000 2.417 313 V HA 0.440 4.559 4.120 -0.000 0.000 0.291 313 V C -0.087 175.559 176.094 -0.747 0.000 1.024 313 V CA -0.368 61.410 62.300 -0.871 0.000 0.861 313 V CB 1.328 32.086 31.823 -1.775 0.000 0.985 313 V HN 0.702 nan 8.190 nan 0.000 0.436 314 H N 2.566 121.538 119.070 -0.163 0.000 2.948 314 H HA 0.902 5.458 4.556 -0.000 0.000 0.315 314 H C -1.334 174.253 175.328 0.432 0.000 1.360 314 H CA -1.283 54.813 56.048 0.080 0.000 1.125 314 H CB 2.163 32.000 29.762 0.126 0.000 1.844 314 H HN 0.434 nan 8.280 nan 0.000 0.529 315 K N 1.114 121.633 120.400 0.198 0.000 2.580 315 K HA 0.260 4.580 4.320 -0.000 0.000 0.258 315 K C -1.358 175.358 176.600 0.194 0.000 0.936 315 K CA 0.011 56.363 56.287 0.107 0.000 0.852 315 K CB 2.030 34.580 32.500 0.084 0.000 1.329 315 K HN 0.937 nan 8.250 nan 0.000 0.430 316 T N -0.137 114.534 114.554 0.195 0.000 2.902 316 T HA 0.906 5.255 4.350 -0.000 0.000 0.280 316 T C 0.295 175.093 174.700 0.164 0.000 0.992 316 T CA -0.393 61.859 62.100 0.253 0.000 1.015 316 T CB 1.635 70.551 68.868 0.080 0.000 1.044 316 T HN 0.728 nan 8.240 nan 0.000 0.520 317 G N -0.903 107.990 108.800 0.156 0.000 2.655 317 G HA2 0.720 4.680 3.960 -0.000 0.000 0.296 317 G HA3 0.720 4.680 3.960 -0.000 0.000 0.296 317 G C -1.561 173.426 174.900 0.145 0.000 1.485 317 G CA -0.416 44.778 45.100 0.158 0.000 0.869 317 G HN 1.205 nan 8.290 nan 0.000 0.540 318 A N 0.132 123.036 122.820 0.141 0.000 2.608 318 A HA 1.000 5.320 4.320 -0.000 0.000 0.292 318 A C -0.066 177.606 177.584 0.147 0.000 1.066 318 A CA 0.229 52.360 52.037 0.157 0.000 0.676 318 A CB 1.486 20.542 19.000 0.094 0.000 1.277 318 A HN 2.101 nan 8.150 nan 0.000 0.413 319 T N -2.263 112.418 114.554 0.212 0.000 2.773 319 T HA 0.638 4.988 4.350 -0.000 0.000 0.278 319 T C 1.337 176.149 174.700 0.187 0.000 1.011 319 T CA 0.176 62.380 62.100 0.173 0.000 1.014 319 T CB 0.961 69.982 68.868 0.255 0.000 1.293 319 T HN 1.712 nan 8.240 nan 0.000 0.554 320 G N -0.319 108.576 108.800 0.158 0.000 2.442 320 G HA2 0.157 4.117 3.960 -0.000 0.000 0.219 320 G HA3 0.157 4.117 3.960 -0.000 0.000 0.219 320 G C 1.107 176.099 174.900 0.154 0.000 1.141 320 G CA 0.623 45.802 45.100 0.132 0.000 0.763 320 G HN 1.194 nan 8.290 nan 0.000 0.554 321 G N -1.304 107.632 108.800 0.227 0.000 3.519 321 G HA2 0.493 4.453 3.960 -0.000 0.000 0.269 321 G HA3 0.493 4.453 3.960 -0.000 0.000 0.269 321 G C -0.522 174.330 174.900 -0.080 0.000 1.028 321 G CA -0.480 44.663 45.100 0.072 0.000 0.809 321 G HN 0.172 nan 8.290 nan 0.000 0.521 322 F N -0.453 119.628 119.950 0.218 0.000 2.599 322 F HA 0.699 5.226 4.527 -0.000 0.000 0.311 322 F C 0.294 176.236 175.800 0.236 0.000 1.076 322 F CA -1.129 57.039 58.000 0.281 0.000 0.937 322 F CB 2.466 41.655 39.000 0.314 0.000 1.282 322 F HN 0.024 nan 8.300 nan 0.000 0.460 323 G N 0.738 109.819 108.800 0.468 0.000 2.707 323 G HA2 0.582 4.542 3.960 -0.000 0.000 0.299 323 G HA3 0.582 4.542 3.960 -0.000 0.000 0.299 323 G C -1.523 173.553 174.900 0.293 0.000 1.442 323 G CA -0.733 44.525 45.100 0.264 0.000 1.009 323 G HN 0.756 nan 8.290 nan 0.000 0.515 324 S N 0.812 116.644 115.700 0.220 0.000 2.599 324 S HA 0.857 5.327 4.470 -0.000 0.000 0.287 324 S C -1.527 173.254 174.600 0.302 0.000 1.105 324 S CA -0.991 57.358 58.200 0.249 0.000 0.899 324 S CB 2.485 65.828 63.200 0.238 0.000 1.100 324 S HN 1.121 nan 8.310 nan 0.000 0.482 325 Y N 0.011 120.404 120.300 0.154 0.000 2.521 325 Y HA 0.624 5.174 4.550 -0.000 0.000 0.332 325 Y C -2.073 173.963 175.900 0.227 0.000 1.121 325 Y CA -0.887 57.320 58.100 0.177 0.000 1.037 325 Y CB 1.589 40.151 38.460 0.171 0.000 1.330 325 Y HN 0.794 nan 8.280 nan 0.000 0.452 326 V N 4.284 123.954 119.914 -0.407 0.000 2.686 326 V HA 0.954 5.074 4.120 -0.000 0.000 0.306 326 V C -0.932 174.898 176.094 -0.440 0.000 1.065 326 V CA -0.269 61.915 62.300 -0.194 0.000 0.894 326 V CB 1.498 33.471 31.823 0.251 0.000 1.004 326 V HN 1.021 nan 8.190 nan 0.000 0.424 327 A N 4.860 127.449 122.820 -0.386 0.000 2.486 327 A HA 1.046 5.366 4.320 -0.000 0.000 0.300 327 A C -1.271 176.024 177.584 -0.481 0.000 1.048 327 A CA -0.519 51.153 52.037 -0.607 0.000 0.696 327 A CB 1.797 20.301 19.000 -0.827 0.000 1.278 327 A HN 1.443 nan 8.150 nan 0.000 0.405 328 F N -0.634 118.857 119.950 -0.765 0.000 2.668 328 F HA 0.833 5.360 4.527 -0.000 0.000 0.309 328 F C -1.406 174.040 175.800 -0.590 0.000 1.117 328 F CA -1.231 56.403 58.000 -0.610 0.000 0.951 328 F CB 1.321 40.024 39.000 -0.495 0.000 1.323 328 F HN 0.300 nan 8.300 nan 0.000 0.451 329 I N 2.812 123.201 120.570 -0.302 0.000 2.466 329 I HA 0.327 4.497 4.170 -0.000 0.000 0.279 329 I C -2.122 173.888 176.117 -0.179 0.000 1.033 329 I CA -1.884 59.209 61.300 -0.346 0.000 1.123 329 I CB 1.869 39.514 38.000 -0.592 0.000 1.237 329 I HN 0.393 nan 8.210 nan 0.000 0.460 330 P HA -0.239 nan 4.420 nan 0.000 0.214 330 P C 1.405 178.644 177.300 -0.102 0.000 1.163 330 P CA 1.242 64.303 63.100 -0.065 0.000 0.889 330 P CB 0.245 31.919 31.700 -0.044 0.000 0.790 331 E N -0.062 120.080 120.200 -0.096 0.000 2.331 331 E HA -0.214 4.135 4.350 -0.000 0.000 0.199 331 E C 1.086 177.625 176.600 -0.102 0.000 1.008 331 E CA 1.037 57.392 56.400 -0.076 0.000 0.843 331 E CB -0.107 29.575 29.700 -0.029 0.000 0.761 331 E HN 0.234 nan 8.360 nan 0.000 0.507 332 K N -0.098 120.208 120.400 -0.158 0.000 2.374 332 K HA 0.073 4.393 4.320 -0.000 0.000 0.202 332 K C -0.280 176.211 176.600 -0.180 0.000 1.040 332 K CA 0.049 56.233 56.287 -0.172 0.000 1.085 332 K CB 0.763 33.121 32.500 -0.238 0.000 0.873 332 K HN 0.076 nan 8.250 nan 0.000 0.539 333 E N 1.059 121.160 120.200 -0.166 0.000 2.389 333 E HA -0.217 4.133 4.350 -0.000 0.000 0.243 333 E C -0.924 175.575 176.600 -0.168 0.000 1.154 333 E CA 0.304 56.603 56.400 -0.168 0.000 0.723 333 E CB -1.210 28.386 29.700 -0.173 0.000 1.261 333 E HN 0.070 nan 8.360 nan 0.000 0.390 334 L N -0.193 120.936 121.223 -0.157 0.000 2.386 334 L HA 0.803 5.143 4.340 -0.000 0.000 0.271 334 L C 0.137 176.940 176.870 -0.111 0.000 0.993 334 L CA 0.243 55.011 54.840 -0.120 0.000 0.819 334 L CB 2.077 44.044 42.059 -0.153 0.000 1.294 334 L HN 0.096 nan 8.230 nan 0.000 0.414 335 G N 3.980 112.743 108.800 -0.061 0.000 2.623 335 G HA2 0.637 4.597 3.960 -0.000 0.000 0.290 335 G HA3 0.637 4.597 3.960 -0.000 0.000 0.290 335 G C -2.212 172.686 174.900 -0.003 0.000 1.437 335 G CA -0.425 44.641 45.100 -0.055 0.000 0.798 335 G HN 0.788 nan 8.290 nan 0.000 0.488 336 I N -0.364 120.208 120.570 0.004 0.000 2.841 336 I HA 0.652 4.822 4.170 -0.000 0.000 0.298 336 I C -1.458 174.713 176.117 0.091 0.000 1.304 336 I CA -0.967 60.379 61.300 0.076 0.000 1.019 336 I CB 2.294 40.361 38.000 0.112 0.000 1.282 336 I HN 0.408 nan 8.210 nan 0.000 0.432 337 V N 7.186 127.190 119.914 0.150 0.000 2.531 337 V HA 0.533 4.653 4.120 -0.000 0.000 0.301 337 V C -0.510 175.703 176.094 0.198 0.000 1.034 337 V CA -0.426 61.975 62.300 0.170 0.000 0.865 337 V CB 1.818 33.756 31.823 0.192 0.000 0.995 337 V HN 0.642 nan 8.190 nan 0.000 0.424 338 M N 6.267 125.992 119.600 0.209 0.000 2.142 338 M HA 0.615 5.095 4.480 -0.000 0.000 0.299 338 M C -1.343 175.045 176.300 0.147 0.000 0.960 338 M CA -0.154 55.270 55.300 0.207 0.000 0.920 338 M CB 1.839 34.613 32.600 0.290 0.000 1.541 338 M HN 0.391 nan 8.290 nan 0.000 0.429 339 L N 2.953 124.161 121.223 -0.025 0.000 2.349 339 L HA 0.972 5.312 4.340 -0.000 0.000 0.278 339 L C -0.447 176.286 176.870 -0.228 0.000 0.996 339 L CA -0.724 53.960 54.840 -0.260 0.000 0.825 339 L CB 1.760 43.303 42.059 -0.861 0.000 1.243 339 L HN 0.781 nan 8.230 nan 0.000 0.412 340 A N 2.030 124.996 122.820 0.243 0.000 2.414 340 A HA 0.590 4.910 4.320 -0.000 0.000 0.306 340 A C -0.357 177.614 177.584 0.645 0.000 1.054 340 A CA -0.756 51.557 52.037 0.460 0.000 0.724 340 A CB 1.211 20.442 19.000 0.385 0.000 1.267 340 A HN 0.756 nan 8.150 nan 0.000 0.418 341 N N 1.498 120.501 118.700 0.505 0.000 2.802 341 N HA 0.193 4.933 4.740 -0.000 0.000 0.288 341 N C -0.509 174.974 175.510 -0.044 0.000 1.268 341 N CA -0.100 52.921 53.050 -0.048 0.000 1.035 341 N CB 0.115 38.554 38.487 -0.080 0.000 1.353 341 N HN 0.623 nan 8.380 nan 0.000 0.522 342 K N 0.158 120.628 120.400 0.116 0.000 2.569 342 K HA 0.181 4.501 4.320 -0.000 0.000 0.259 342 K C -1.859 174.921 176.600 0.301 0.000 0.932 342 K CA -0.662 55.723 56.287 0.163 0.000 0.833 342 K CB 1.124 33.714 32.500 0.149 0.000 1.340 342 K HN 0.021 nan 8.250 nan 0.000 0.429 343 N N 3.754 122.597 118.700 0.240 0.000 2.401 343 N HA 0.174 4.914 4.740 -0.000 0.000 0.255 343 N C -1.529 174.131 175.510 0.251 0.000 1.110 343 N CA 0.098 53.283 53.050 0.225 0.000 0.949 343 N CB 0.145 38.721 38.487 0.149 0.000 1.110 343 N HN 0.477 nan 8.380 nan 0.000 0.490 344 Y N 1.422 121.764 120.300 0.071 0.000 2.570 344 Y HA 0.721 5.271 4.550 -0.000 0.000 0.345 344 Y C -2.689 173.230 175.900 0.032 0.000 1.014 344 Y CA -3.236 54.889 58.100 0.042 0.000 1.063 344 Y CB -0.377 38.102 38.460 0.032 0.000 1.272 344 Y HN 0.337 nan 8.280 nan 0.000 0.477 345 P HA -0.029 nan 4.420 nan 0.000 0.259 345 P C 0.239 177.422 177.300 -0.196 0.000 1.163 345 P CA 0.552 63.612 63.100 -0.066 0.000 0.760 345 P CB 0.678 32.389 31.700 0.018 0.000 0.762 346 N N 4.966 123.550 118.700 -0.193 0.000 2.094 346 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 346 N C -0.842 174.552 175.510 -0.192 0.000 1.023 346 N CA 1.831 54.747 53.050 -0.224 0.000 0.857 346 N CB -1.727 36.662 38.487 -0.164 0.000 1.013 346 N HN 0.445 nan 8.380 nan 0.000 0.426 347 P HA -0.060 nan 4.420 nan 0.000 0.218 347 P C 1.043 178.315 177.300 -0.047 0.000 1.148 347 P CA 1.464 64.515 63.100 -0.082 0.000 0.822 347 P CB -0.057 31.611 31.700 -0.053 0.000 0.784 348 A N -0.022 122.795 122.820 -0.005 0.000 1.930 348 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 348 A C 2.189 179.836 177.584 0.105 0.000 1.175 348 A CA 1.402 53.490 52.037 0.084 0.000 0.627 348 A CB -0.906 18.217 19.000 0.206 0.000 0.815 348 A HN 0.120 nan 8.150 nan 0.000 0.443 349 R N -0.630 119.875 120.500 0.008 0.000 2.062 349 R HA -0.048 4.292 4.340 -0.000 0.000 0.231 349 R C 1.991 178.226 176.300 -0.109 0.000 1.136 349 R CA 1.423 57.517 56.100 -0.010 0.000 0.948 349 R CB -0.791 29.381 30.300 -0.212 0.000 0.845 349 R HN 0.337 nan 8.270 nan 0.000 0.430 350 V N 2.023 121.744 119.914 -0.321 0.000 2.332 350 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 350 V C 2.006 178.172 176.094 0.119 0.000 1.055 350 V CA 2.218 64.388 62.300 -0.217 0.000 1.038 350 V CB -0.599 31.113 31.823 -0.186 0.000 0.651 350 V HN 0.331 nan 8.190 nan 0.000 0.450 351 D N 0.415 120.861 120.400 0.077 0.000 2.117 351 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 351 D C 2.113 178.549 176.300 0.227 0.000 0.987 351 D CA 1.584 55.671 54.000 0.145 0.000 0.829 351 D CB -0.166 40.681 40.800 0.077 0.000 0.961 351 D HN 0.355 nan 8.370 nan 0.000 0.460 352 A N 0.411 123.340 122.820 0.182 0.000 1.933 352 A HA 0.071 4.391 4.320 -0.000 0.000 0.218 352 A C 2.376 180.107 177.584 0.246 0.000 1.175 352 A CA 2.158 54.302 52.037 0.177 0.000 0.628 352 A CB -1.008 18.074 19.000 0.136 0.000 0.814 352 A HN 0.333 nan 8.150 nan 0.000 0.444 353 A N -1.733 121.299 122.820 0.354 0.000 1.898 353 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 353 A C 1.985 179.892 177.584 0.537 0.000 1.181 353 A CA 1.471 53.796 52.037 0.480 0.000 0.620 353 A CB -0.841 18.625 19.000 0.776 0.000 0.819 353 A HN 0.819 nan 8.150 nan 0.000 0.442 354 W N 0.687 122.231 121.300 0.407 0.000 2.388 354 W HA -0.154 4.506 4.660 -0.000 0.000 0.294 354 W C 2.336 178.995 176.519 0.234 0.000 1.212 354 W CA 1.892 59.433 57.345 0.327 0.000 1.271 354 W CB -0.182 29.309 29.460 0.052 0.000 1.126 354 W HN 0.442 nan 8.180 nan 0.000 0.535 355 Q N -0.092 119.852 119.800 0.240 0.000 2.096 355 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 355 Q C 2.176 178.143 176.000 -0.055 0.000 0.982 355 Q CA 2.153 57.986 55.803 0.050 0.000 0.850 355 Q CB -0.452 28.367 28.738 0.135 0.000 0.901 355 Q HN 0.406 nan 8.270 nan 0.000 0.422 356 I N 0.302 120.891 120.570 0.031 0.000 2.193 356 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 356 I C 2.121 178.223 176.117 -0.026 0.000 1.084 356 I CA 0.969 62.272 61.300 0.005 0.000 1.365 356 I CB -0.163 37.866 38.000 0.049 0.000 1.064 356 I HN 0.202 nan 8.210 nan 0.000 0.410 357 L N 0.336 121.566 121.223 0.011 0.000 2.141 357 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 357 L C 2.209 179.016 176.870 -0.105 0.000 1.094 357 L CA 1.271 56.104 54.840 -0.012 0.000 0.763 357 L CB -0.792 41.308 42.059 0.069 0.000 0.908 357 L HN 0.341 nan 8.230 nan 0.000 0.437 358 N N 0.585 119.099 118.700 -0.312 0.000 2.244 358 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 358 N C 1.745 177.138 175.510 -0.195 0.000 1.016 358 N CA 1.277 54.089 53.050 -0.396 0.000 0.866 358 N CB 0.064 37.815 38.487 -1.227 0.000 0.980 358 N HN 0.252 nan 8.380 nan 0.000 0.430 359 A N -0.161 122.557 122.820 -0.170 0.000 2.014 359 A HA 0.071 4.391 4.320 -0.000 0.000 0.218 359 A C 1.914 179.472 177.584 -0.042 0.000 1.163 359 A CA 0.699 52.683 52.037 -0.089 0.000 0.652 359 A CB -0.344 18.608 19.000 -0.079 0.000 0.808 359 A HN 0.355 nan 8.150 nan 0.000 0.449 360 L N -1.822 119.388 121.223 -0.023 0.000 2.585 360 L HA 0.338 4.678 4.340 -0.000 0.000 0.226 360 L C 1.159 178.095 176.870 0.109 0.000 1.113 360 L CA 0.534 55.403 54.840 0.049 0.000 0.876 360 L CB -0.296 41.809 42.059 0.075 0.000 1.072 360 L HN 0.638 nan 8.230 nan 0.000 0.468 361 Q N 0.000 119.835 119.800 0.058 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.855 55.803 0.086 0.000 1.022 361 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481