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 1l2s_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 0.000 177.518 177.584 -0.111 0.000 1.274 4 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 4 A CB 0.000 18.998 19.000 -0.002 0.000 0.831 5 P HA -0.022 nan 4.420 nan 0.000 0.264 5 P C 0.938 178.137 177.300 -0.169 0.000 1.173 5 P CA 0.103 63.074 63.100 -0.214 0.000 0.761 5 P CB 0.577 32.070 31.700 -0.345 0.000 0.794 6 Q N 2.935 122.672 119.800 -0.105 0.000 2.118 6 Q HA -0.331 4.008 4.340 -0.000 0.000 0.211 6 Q C 2.334 178.279 176.000 -0.092 0.000 0.998 6 Q CA 3.008 58.768 55.803 -0.071 0.000 0.872 6 Q CB -0.704 28.004 28.738 -0.049 0.000 0.925 6 Q HN 0.644 nan 8.270 nan 0.000 0.414 7 Q N 0.562 120.279 119.800 -0.138 0.000 2.030 7 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 7 Q C 2.158 178.052 176.000 -0.178 0.000 0.986 7 Q CA 2.053 57.764 55.803 -0.154 0.000 0.843 7 Q CB -0.974 27.643 28.738 -0.200 0.000 0.904 7 Q HN 0.635 nan 8.270 nan 0.000 0.420 8 I N 0.358 120.770 120.570 -0.263 0.000 2.179 8 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 8 I C 2.419 178.477 176.117 -0.097 0.000 1.088 8 I CA 1.608 62.776 61.300 -0.220 0.000 1.357 8 I CB -0.343 37.466 38.000 -0.318 0.000 1.051 8 I HN 0.411 nan 8.210 nan 0.000 0.409 9 N N 0.964 119.657 118.700 -0.012 0.000 2.069 9 N HA -0.250 4.490 4.740 -0.000 0.000 0.191 9 N C 1.515 177.036 175.510 0.019 0.000 1.031 9 N CA 1.820 54.917 53.050 0.078 0.000 0.852 9 N CB -0.200 38.346 38.487 0.099 0.000 1.018 9 N HN 0.304 nan 8.380 nan 0.000 0.423 10 D N -0.373 120.030 120.400 0.005 0.000 2.092 10 D HA -0.132 4.508 4.640 -0.000 0.000 0.193 10 D C 1.828 178.138 176.300 0.016 0.000 0.994 10 D CA 0.818 54.837 54.000 0.032 0.000 0.828 10 D CB -0.236 40.566 40.800 0.005 0.000 0.963 10 D HN 0.225 nan 8.370 nan 0.000 0.450 11 I N -0.258 120.289 120.570 -0.038 0.000 2.394 11 I HA -0.146 4.024 4.170 -0.000 0.000 0.251 11 I C 2.044 178.126 176.117 -0.057 0.000 1.136 11 I CA 0.799 62.070 61.300 -0.047 0.000 1.425 11 I CB -0.137 37.824 38.000 -0.066 0.000 1.079 11 I HN -0.002 nan 8.210 nan 0.000 0.425 12 V N 0.029 119.870 119.914 -0.122 0.000 2.307 12 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 12 V C 2.521 178.629 176.094 0.024 0.000 1.045 12 V CA 2.170 64.367 62.300 -0.172 0.000 1.024 12 V CB -1.038 30.395 31.823 -0.650 0.000 0.651 12 V HN 0.530 nan 8.190 nan 0.000 0.449 13 H N 0.678 119.731 119.070 -0.028 0.000 2.321 13 H HA -0.144 4.412 4.556 -0.000 0.000 0.300 13 H C 2.416 177.779 175.328 0.059 0.000 1.087 13 H CA 2.234 58.344 56.048 0.103 0.000 1.319 13 H CB -0.153 29.660 29.762 0.086 0.000 1.379 13 H HN 0.213 nan 8.280 nan 0.000 0.501 14 R N -0.986 119.498 120.500 -0.026 0.000 2.148 14 R HA -0.068 4.272 4.340 -0.000 0.000 0.227 14 R C 1.564 177.812 176.300 -0.087 0.000 1.103 14 R CA 1.719 57.755 56.100 -0.108 0.000 0.983 14 R CB 0.157 30.429 30.300 -0.047 0.000 0.874 14 R HN 0.384 nan 8.270 nan 0.000 0.451 15 T N 0.192 114.714 114.554 -0.054 0.000 3.004 15 T HA 0.091 4.441 4.350 -0.000 0.000 0.243 15 T C 1.595 176.242 174.700 -0.088 0.000 1.020 15 T CA 0.306 62.376 62.100 -0.050 0.000 1.145 15 T CB 0.177 69.034 68.868 -0.019 0.000 0.876 15 T HN 0.016 nan 8.240 nan 0.000 0.449 16 I N 2.005 122.505 120.570 -0.116 0.000 2.480 16 I HA -0.026 4.144 4.170 -0.000 0.000 0.251 16 I C 2.559 178.424 176.117 -0.421 0.000 1.124 16 I CA 1.201 62.327 61.300 -0.290 0.000 1.444 16 I CB -1.774 35.958 38.000 -0.447 0.000 1.098 16 I HN 0.224 nan 8.210 nan 0.000 0.428 17 T N 2.224 116.636 114.554 -0.236 0.000 2.720 17 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 17 T C -0.306 174.274 174.700 -0.199 0.000 1.037 17 T CA 1.663 63.650 62.100 -0.188 0.000 1.144 17 T CB -1.247 67.665 68.868 0.073 0.000 0.864 17 T HN 0.224 nan 8.240 nan 0.000 0.444 18 P HA 0.044 nan 4.420 nan 0.000 0.219 18 P C 1.592 178.806 177.300 -0.143 0.000 1.150 18 P CA 0.378 63.399 63.100 -0.131 0.000 0.814 18 P CB -0.118 31.518 31.700 -0.106 0.000 0.787 19 L N -0.473 120.643 121.223 -0.177 0.000 2.017 19 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 19 L C 2.112 178.826 176.870 -0.261 0.000 1.073 19 L CA 1.856 56.584 54.840 -0.187 0.000 0.745 19 L CB -1.172 40.773 42.059 -0.190 0.000 0.894 19 L HN -0.133 nan 8.230 nan 0.000 0.432 20 I N -0.455 119.918 120.570 -0.329 0.000 2.208 20 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 20 I C 2.446 178.439 176.117 -0.207 0.000 1.097 20 I CA 1.116 62.221 61.300 -0.324 0.000 1.363 20 I CB -0.474 37.288 38.000 -0.397 0.000 1.051 20 I HN 0.341 nan 8.210 nan 0.000 0.413 21 E N 0.682 120.786 120.200 -0.160 0.000 2.047 21 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 21 E C 2.174 178.720 176.600 -0.090 0.000 0.987 21 E CA 1.270 57.609 56.400 -0.101 0.000 0.799 21 E CB -0.364 29.291 29.700 -0.075 0.000 0.752 21 E HN 0.599 nan 8.360 nan 0.000 0.449 22 Q N 0.159 119.901 119.800 -0.096 0.000 2.124 22 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 22 Q C 1.858 177.816 176.000 -0.069 0.000 0.977 22 Q CA 0.997 56.758 55.803 -0.070 0.000 0.850 22 Q CB 0.098 28.800 28.738 -0.060 0.000 0.901 22 Q HN 0.181 nan 8.270 nan 0.000 0.429 23 Q N 0.027 119.756 119.800 -0.117 0.000 2.319 23 Q HA 0.090 4.430 4.340 -0.000 0.000 0.202 23 Q C -0.371 175.569 176.000 -0.100 0.000 0.896 23 Q CA 0.149 55.885 55.803 -0.112 0.000 0.942 23 Q CB 0.744 29.337 28.738 -0.243 0.000 1.083 23 Q HN 0.273 nan 8.270 nan 0.000 0.510 24 K N 0.856 121.195 120.400 -0.102 0.000 3.150 24 K HA -0.170 4.150 4.320 -0.000 0.000 0.267 24 K C -0.570 175.980 176.600 -0.084 0.000 1.028 24 K CA 0.258 56.499 56.287 -0.077 0.000 0.753 24 K CB -1.992 30.482 32.500 -0.044 0.000 1.288 24 K HN 0.251 nan 8.250 nan 0.000 0.473 25 I N 0.918 121.410 120.570 -0.130 0.000 2.396 25 I HA 0.037 4.207 4.170 -0.000 0.000 0.289 25 I C -0.957 175.131 176.117 -0.047 0.000 1.056 25 I CA -2.200 59.037 61.300 -0.105 0.000 1.365 25 I CB 0.911 38.786 38.000 -0.208 0.000 1.407 25 I HN 0.011 nan 8.210 nan 0.000 0.509 26 P HA -0.029 nan 4.420 nan 0.000 0.215 26 P C 0.368 177.722 177.300 0.091 0.000 1.157 26 P CA 0.562 63.657 63.100 -0.008 0.000 0.863 26 P CB 0.267 31.895 31.700 -0.120 0.000 0.787 27 G N -1.524 107.387 108.800 0.185 0.000 2.696 27 G HA2 0.691 4.651 3.960 -0.000 0.000 0.295 27 G HA3 0.691 4.651 3.960 -0.000 0.000 0.295 27 G C -1.894 173.243 174.900 0.394 0.000 1.398 27 G CA -0.379 44.900 45.100 0.298 0.000 0.920 27 G HN 0.060 nan 8.290 nan 0.000 0.492 28 M N 0.907 120.782 119.600 0.459 0.000 2.471 28 M HA 0.701 5.181 4.480 -0.000 0.000 0.284 28 M C -1.622 175.001 176.300 0.539 0.000 1.203 28 M CA -0.584 54.961 55.300 0.409 0.000 0.915 28 M CB 2.258 34.950 32.600 0.154 0.000 1.734 28 M HN 1.092 nan 8.290 nan 0.000 0.485 29 A N 3.069 126.077 122.820 0.314 0.000 2.393 29 A HA 0.887 5.207 4.320 -0.000 0.000 0.306 29 A C -1.801 175.989 177.584 0.343 0.000 1.050 29 A CA -0.609 51.647 52.037 0.365 0.000 0.724 29 A CB 1.870 21.009 19.000 0.230 0.000 1.248 29 A HN 0.632 nan 8.150 nan 0.000 0.424 30 V N 0.651 120.882 119.914 0.528 0.000 2.841 30 V HA 0.825 4.945 4.120 -0.000 0.000 0.310 30 V C -0.009 176.404 176.094 0.531 0.000 1.090 30 V CA -0.190 62.404 62.300 0.489 0.000 0.930 30 V CB 1.947 34.103 31.823 0.554 0.000 1.014 30 V HN 1.515 nan 8.190 nan 0.000 0.425 31 A N 3.557 126.610 122.820 0.389 0.000 2.356 31 A HA 0.897 5.217 4.320 -0.000 0.000 0.310 31 A C -1.248 176.473 177.584 0.228 0.000 1.075 31 A CA -0.561 51.635 52.037 0.265 0.000 0.746 31 A CB 1.872 20.992 19.000 0.200 0.000 1.221 31 A HN 0.682 nan 8.150 nan 0.000 0.443 32 V N 3.354 123.413 119.914 0.241 0.000 2.448 32 V HA 0.358 4.478 4.120 -0.000 0.000 0.295 32 V C -0.849 175.364 176.094 0.199 0.000 1.025 32 V CA -0.318 62.122 62.300 0.234 0.000 0.859 32 V CB 1.369 33.367 31.823 0.291 0.000 0.988 32 V HN 0.725 nan 8.190 nan 0.000 0.431 33 I N 5.815 126.461 120.570 0.127 0.000 2.304 33 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 33 I C -0.629 175.601 176.117 0.189 0.000 1.018 33 I CA -0.224 61.130 61.300 0.090 0.000 1.260 33 I CB 0.600 38.586 38.000 -0.023 0.000 1.390 33 I HN 0.568 nan 8.210 nan 0.000 0.475 34 Y N 5.448 125.831 120.300 0.139 0.000 2.331 34 Y HA 0.335 4.885 4.550 0.000 0.000 0.334 34 Y C 0.373 176.328 175.900 0.092 0.000 0.960 34 Y CA -0.853 57.315 58.100 0.113 0.000 1.130 34 Y CB 1.048 39.587 38.460 0.133 0.000 1.164 34 Y HN 0.675 nan 8.280 nan 0.000 0.458 35 Q N 4.527 124.052 119.800 -0.459 0.000 2.434 35 Q HA -0.283 4.057 4.340 -0.000 0.000 0.299 35 Q C 1.115 177.028 176.000 -0.145 0.000 1.286 35 Q CA 1.160 56.748 55.803 -0.359 0.000 0.872 35 Q CB -1.625 26.860 28.738 -0.422 0.000 1.193 35 Q HN 1.349 nan 8.270 nan 0.000 0.466 36 G N -0.699 108.035 108.800 -0.111 0.000 2.234 36 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 36 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 36 G C 0.056 174.914 174.900 -0.069 0.000 0.987 36 G CA 0.720 45.766 45.100 -0.091 0.000 0.625 36 G HN 0.326 nan 8.290 nan 0.000 0.532 37 K N 1.744 122.127 120.400 -0.029 0.000 2.138 37 K HA 0.551 4.871 4.320 -0.000 0.000 0.263 37 K C -2.577 173.882 176.600 -0.236 0.000 0.965 37 K CA -1.923 54.291 56.287 -0.123 0.000 0.868 37 K CB 2.628 35.061 32.500 -0.112 0.000 1.083 37 K HN 0.107 nan 8.250 nan 0.000 0.443 38 P HA 0.189 nan 4.420 nan 0.000 0.288 38 P C -1.484 175.206 177.300 -1.016 0.000 1.267 38 P CA -0.417 62.347 63.100 -0.559 0.000 0.815 38 P CB 0.632 32.035 31.700 -0.495 0.000 0.989 39 Y N 1.190 121.200 120.300 -0.483 0.000 2.373 39 Y HA 0.417 4.967 4.550 -0.000 0.000 0.336 39 Y C -0.088 175.425 175.900 -0.645 0.000 0.979 39 Y CA -0.547 57.281 58.100 -0.454 0.000 1.080 39 Y CB 1.734 40.106 38.460 -0.146 0.000 1.190 39 Y HN 0.282 nan 8.280 nan 0.000 0.446 40 Y N 2.697 122.790 120.300 -0.344 0.000 2.420 40 Y HA 0.699 5.249 4.550 -0.000 0.000 0.334 40 Y C -0.903 174.518 175.900 -0.798 0.000 1.094 40 Y CA -1.453 56.448 58.100 -0.331 0.000 1.126 40 Y CB 1.244 39.611 38.460 -0.155 0.000 1.217 40 Y HN 0.373 nan 8.280 nan 0.000 0.462 41 F N -0.009 120.041 119.950 0.167 0.000 2.591 41 F HA 0.655 5.182 4.527 -0.000 0.000 0.309 41 F C -0.336 175.365 175.800 -0.165 0.000 1.098 41 F CA -0.997 56.917 58.000 -0.144 0.000 0.937 41 F CB 2.385 41.260 39.000 -0.208 0.000 1.250 41 F HN 0.405 nan 8.300 nan 0.000 0.447 42 T N -1.573 112.808 114.554 -0.288 0.000 2.903 42 T HA 0.677 5.027 4.350 -0.000 0.000 0.299 42 T C -1.597 172.987 174.700 -0.192 0.000 1.093 42 T CA -0.766 61.327 62.100 -0.012 0.000 1.002 42 T CB 1.911 70.831 68.868 0.087 0.000 1.127 42 T HN 0.621 nan 8.240 nan 0.000 0.488 43 W N 0.239 121.626 121.300 0.146 0.000 3.107 43 W HA 0.504 5.164 4.660 -0.000 0.000 0.331 43 W C 0.860 177.401 176.519 0.037 0.000 1.204 43 W CA -0.240 57.151 57.345 0.077 0.000 1.184 43 W CB 1.728 31.232 29.460 0.073 0.000 1.421 43 W HN 1.389 nan 8.180 nan 0.000 0.544 44 G N 1.287 110.173 108.800 0.144 0.000 2.578 44 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.275 44 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.275 44 G C -1.319 173.511 174.900 -0.117 0.000 1.271 44 G CA -0.061 44.972 45.100 -0.112 0.000 0.941 44 G HN 0.558 nan 8.290 nan 0.000 0.564 45 Y N 0.155 120.539 120.300 0.140 0.000 2.409 45 Y HA 0.541 5.091 4.550 -0.000 0.000 0.339 45 Y C 1.359 177.361 175.900 0.169 0.000 1.033 45 Y CA -0.422 57.754 58.100 0.126 0.000 1.094 45 Y CB 1.956 40.456 38.460 0.067 0.000 1.210 45 Y HN 0.752 nan 8.280 nan 0.000 0.456 46 A N 0.988 124.022 122.820 0.356 0.000 1.984 46 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 46 A C 0.232 178.018 177.584 0.337 0.000 1.173 46 A CA 1.015 53.201 52.037 0.248 0.000 0.673 46 A CB 0.163 19.245 19.000 0.136 0.000 0.830 46 A HN 0.681 nan 8.150 nan 0.000 0.453 47 D N -0.715 119.872 120.400 0.312 0.000 2.402 47 D HA 0.386 5.026 4.640 -0.000 0.000 0.252 47 D C 0.665 177.023 176.300 0.097 0.000 1.294 47 D CA -0.403 53.791 54.000 0.323 0.000 0.948 47 D CB 0.768 41.733 40.800 0.275 0.000 1.202 47 D HN 0.160 nan 8.370 nan 0.000 0.561 48 I N 2.201 122.828 120.570 0.096 0.000 2.142 48 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 48 I C 2.516 178.491 176.117 -0.236 0.000 1.078 48 I CA 1.299 62.507 61.300 -0.154 0.000 1.343 48 I CB -0.173 37.694 38.000 -0.221 0.000 1.046 48 I HN 0.420 nan 8.210 nan 0.000 0.405 49 A N 1.068 123.818 122.820 -0.117 0.000 1.883 49 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 49 A C 2.207 179.705 177.584 -0.143 0.000 1.186 49 A CA 1.809 53.771 52.037 -0.124 0.000 0.624 49 A CB -0.492 18.445 19.000 -0.104 0.000 0.822 49 A HN 0.401 nan 8.150 nan 0.000 0.444 50 K N -0.690 119.639 120.400 -0.119 0.000 2.444 50 K HA 0.090 4.410 4.320 -0.000 0.000 0.193 50 K C -0.349 176.139 176.600 -0.186 0.000 1.024 50 K CA 0.254 56.479 56.287 -0.102 0.000 1.077 50 K CB 0.081 32.567 32.500 -0.023 0.000 0.833 50 K HN 0.436 nan 8.250 nan 0.000 0.517 51 K N 0.448 120.602 120.400 -0.411 0.000 3.156 51 K HA -0.222 4.098 4.320 -0.000 0.000 0.266 51 K C -0.150 176.266 176.600 -0.307 0.000 0.966 51 K CA 0.725 56.516 56.287 -0.828 0.000 0.719 51 K CB -1.966 30.202 32.500 -0.552 0.000 1.333 51 K HN 0.432 nan 8.250 nan 0.000 0.468 52 Q N 0.917 120.656 119.800 -0.101 0.000 2.294 52 Q HA 0.308 4.648 4.340 -0.000 0.000 0.257 52 Q C -2.157 174.015 176.000 0.287 0.000 0.955 52 Q CA -1.829 54.032 55.803 0.097 0.000 0.936 52 Q CB 0.118 28.912 28.738 0.093 0.000 1.188 52 Q HN 0.116 nan 8.270 nan 0.000 0.420 53 P HA 0.251 nan 4.420 nan 0.000 0.274 53 P C -0.428 177.006 177.300 0.223 0.000 1.237 53 P CA -0.263 63.027 63.100 0.316 0.000 0.793 53 P CB 1.009 32.830 31.700 0.202 0.000 0.977 54 V N 2.283 122.334 119.914 0.228 0.000 2.637 54 V HA 0.271 4.391 4.120 -0.000 0.000 0.296 54 V C 1.238 177.442 176.094 0.184 0.000 1.046 54 V CA 0.694 63.141 62.300 0.244 0.000 1.066 54 V CB 0.521 32.569 31.823 0.375 0.000 0.968 54 V HN 0.913 nan 8.190 nan 0.000 0.483 55 T N 1.236 115.885 114.554 0.158 0.000 2.804 55 T HA 0.346 4.696 4.350 -0.000 0.000 0.290 55 T C 0.411 175.161 174.700 0.083 0.000 1.099 55 T CA -0.731 61.420 62.100 0.086 0.000 1.011 55 T CB 1.660 70.546 68.868 0.031 0.000 1.291 55 T HN 0.439 nan 8.240 nan 0.000 0.523 56 Q N -0.252 119.535 119.800 -0.022 0.000 2.437 56 Q HA 0.044 4.384 4.340 -0.000 0.000 0.210 56 Q C 2.243 178.192 176.000 -0.086 0.000 0.972 56 Q CA 1.393 57.131 55.803 -0.109 0.000 0.903 56 Q CB -0.314 28.250 28.738 -0.289 0.000 0.967 56 Q HN 0.863 nan 8.270 nan 0.000 0.486 57 Q N 0.346 120.104 119.800 -0.070 0.000 2.247 57 Q HA 0.098 4.438 4.340 -0.000 0.000 0.211 57 Q C 0.638 176.613 176.000 -0.041 0.000 0.861 57 Q CA 0.169 55.893 55.803 -0.131 0.000 0.949 57 Q CB 0.334 28.952 28.738 -0.200 0.000 1.115 57 Q HN 0.177 nan 8.270 nan 0.000 0.507 58 T N 1.935 116.522 114.554 0.055 0.000 2.814 58 T HA 0.505 4.855 4.350 -0.000 0.000 0.297 58 T C -0.143 174.608 174.700 0.086 0.000 0.956 58 T CA -0.175 61.952 62.100 0.044 0.000 1.123 58 T CB 0.353 69.244 68.868 0.038 0.000 0.902 58 T HN 0.383 nan 8.240 nan 0.000 0.528 59 L N 4.212 125.434 121.223 -0.003 0.000 2.292 59 L HA 0.525 4.865 4.340 -0.000 0.000 0.284 59 L C -0.397 176.457 176.870 -0.027 0.000 1.065 59 L CA -0.075 54.780 54.840 0.024 0.000 0.806 59 L CB 0.340 42.324 42.059 -0.124 0.000 1.175 59 L HN 0.524 nan 8.230 nan 0.000 0.431 60 F N 0.362 120.333 119.950 0.034 0.000 2.538 60 F HA 0.438 4.965 4.527 -0.000 0.000 0.325 60 F C 0.445 176.008 175.800 -0.394 0.000 1.066 60 F CA -0.953 57.032 58.000 -0.025 0.000 0.946 60 F CB 1.275 40.410 39.000 0.225 0.000 1.199 60 F HN 0.391 nan 8.300 nan 0.000 0.473 61 E N 2.355 122.030 120.200 -0.875 0.000 2.223 61 E HA 0.185 4.535 4.350 -0.000 0.000 0.282 61 E C 0.500 177.007 176.600 -0.155 0.000 1.046 61 E CA -0.069 55.997 56.400 -0.556 0.000 0.857 61 E CB 0.886 30.152 29.700 -0.722 0.000 1.055 61 E HN 0.603 nan 8.360 nan 0.000 0.409 62 L N 2.826 124.037 121.223 -0.019 0.000 2.313 62 L HA 0.044 4.384 4.340 -0.000 0.000 0.214 62 L C 1.426 178.390 176.870 0.156 0.000 1.119 62 L CA 0.593 55.496 54.840 0.105 0.000 0.809 62 L CB -0.863 41.265 42.059 0.116 0.000 0.933 62 L HN 0.901 nan 8.230 nan 0.000 0.449 63 G N 0.290 109.183 108.800 0.156 0.000 2.574 63 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.286 63 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.286 63 G C 0.811 175.857 174.900 0.244 0.000 1.212 63 G CA 0.289 45.515 45.100 0.209 0.000 0.979 63 G HN 0.167 nan 8.290 nan 0.000 0.557 64 S N -0.258 115.587 115.700 0.242 0.000 2.469 64 S HA -0.024 4.446 4.470 -0.000 0.000 0.238 64 S C 2.450 177.186 174.600 0.227 0.000 0.998 64 S CA 1.499 59.860 58.200 0.268 0.000 0.957 64 S CB -0.215 63.186 63.200 0.336 0.000 0.764 64 S HN 0.817 nan 8.310 nan 0.000 0.514 65 V N 1.633 121.671 119.914 0.207 0.000 2.720 65 V HA -0.152 3.968 4.120 -0.000 0.000 0.256 65 V C 2.156 178.374 176.094 0.207 0.000 1.082 65 V CA 1.517 63.924 62.300 0.178 0.000 1.101 65 V CB -0.862 31.092 31.823 0.219 0.000 0.693 65 V HN 0.451 nan 8.190 nan 0.000 0.479 66 S N -0.186 115.661 115.700 0.245 0.000 2.400 66 S HA -0.229 4.241 4.470 -0.000 0.000 0.232 66 S C 1.915 176.675 174.600 0.268 0.000 1.025 66 S CA 1.319 59.696 58.200 0.295 0.000 0.993 66 S CB -0.276 63.029 63.200 0.176 0.000 0.808 66 S HN 0.650 nan 8.310 nan 0.000 0.478 67 K N 0.955 121.463 120.400 0.179 0.000 2.211 67 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 67 K C 2.441 179.065 176.600 0.039 0.000 1.047 67 K CA 1.597 57.967 56.287 0.138 0.000 0.935 67 K CB -0.507 32.091 32.500 0.164 0.000 0.728 67 K HN 0.626 nan 8.250 nan 0.000 0.452 68 T N -1.242 113.234 114.554 -0.130 0.000 2.867 68 T HA -0.099 4.250 4.350 -0.000 0.000 0.268 68 T C 1.731 176.397 174.700 -0.057 0.000 1.057 68 T CA 0.801 62.620 62.100 -0.468 0.000 1.136 68 T CB -0.336 67.822 68.868 -1.184 0.000 0.874 68 T HN 0.025 nan 8.240 nan 0.000 0.466 69 F N 2.130 122.116 119.950 0.061 0.000 2.163 69 F HA 0.067 4.594 4.527 0.000 0.000 0.297 69 F C 2.992 178.841 175.800 0.082 0.000 1.094 69 F CA 1.282 59.285 58.000 0.006 0.000 1.290 69 F CB -1.039 37.852 39.000 -0.183 0.000 1.017 69 F HN 0.132 nan 8.300 nan 0.000 0.483 70 T N -0.597 114.142 114.554 0.309 0.000 2.788 70 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 70 T C 2.355 177.231 174.700 0.294 0.000 1.044 70 T CA 1.386 63.682 62.100 0.327 0.000 1.139 70 T CB -0.982 68.076 68.868 0.316 0.000 0.867 70 T HN 0.438 nan 8.240 nan 0.000 0.454 71 G N 0.933 109.872 108.800 0.231 0.000 2.404 71 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.215 71 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.215 71 G C 1.695 176.745 174.900 0.251 0.000 1.174 71 G CA 0.713 45.950 45.100 0.228 0.000 0.780 71 G HN 0.429 nan 8.290 nan 0.000 0.537 72 V N 0.609 120.678 119.914 0.258 0.000 2.427 72 V HA -0.106 4.014 4.120 -0.000 0.000 0.248 72 V C 2.676 178.881 176.094 0.186 0.000 1.051 72 V CA 1.524 63.985 62.300 0.269 0.000 1.048 72 V CB -0.298 31.778 31.823 0.421 0.000 0.666 72 V HN 0.341 nan 8.190 nan 0.000 0.456 73 L N 1.270 122.576 121.223 0.139 0.000 2.046 73 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 73 L C 2.324 179.201 176.870 0.011 0.000 1.077 73 L CA 2.404 57.247 54.840 0.005 0.000 0.747 73 L CB -1.257 40.727 42.059 -0.125 0.000 0.896 73 L HN 0.263 nan 8.230 nan 0.000 0.432 74 G N -1.192 107.671 108.800 0.104 0.000 2.402 74 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 74 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 74 G C 1.520 176.520 174.900 0.166 0.000 1.162 74 G CA 0.531 45.704 45.100 0.121 0.000 0.777 74 G HN 0.583 nan 8.290 nan 0.000 0.539 75 G N 0.695 109.606 108.800 0.185 0.000 2.418 75 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 75 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 75 G C 1.442 176.396 174.900 0.090 0.000 1.158 75 G CA 1.364 46.552 45.100 0.147 0.000 0.771 75 G HN 0.502 nan 8.290 nan 0.000 0.545 76 D N 0.495 120.935 120.400 0.066 0.000 2.144 76 D HA 0.026 4.666 4.640 -0.000 0.000 0.199 76 D C 2.634 178.935 176.300 0.002 0.000 0.984 76 D CA 1.430 55.447 54.000 0.027 0.000 0.834 76 D CB -0.239 40.566 40.800 0.007 0.000 0.955 76 D HN 0.255 nan 8.370 nan 0.000 0.465 77 A N -0.027 122.783 122.820 -0.017 0.000 1.930 77 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 77 A C 2.305 179.885 177.584 -0.008 0.000 1.175 77 A CA 0.980 52.993 52.037 -0.041 0.000 0.627 77 A CB -0.700 18.239 19.000 -0.101 0.000 0.815 77 A HN 0.377 nan 8.150 nan 0.000 0.443 78 I N -0.142 120.443 120.570 0.025 0.000 2.226 78 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 78 I C 2.937 179.077 176.117 0.039 0.000 1.100 78 I CA 1.109 62.437 61.300 0.046 0.000 1.374 78 I CB -0.335 37.712 38.000 0.079 0.000 1.057 78 I HN 0.338 nan 8.210 nan 0.000 0.413 79 A N 0.747 123.588 122.820 0.036 0.000 1.972 79 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 79 A C 2.310 179.904 177.584 0.016 0.000 1.169 79 A CA 1.358 53.411 52.037 0.027 0.000 0.635 79 A CB -0.545 18.471 19.000 0.026 0.000 0.810 79 A HN 0.342 nan 8.150 nan 0.000 0.446 80 R N -1.361 119.144 120.500 0.008 0.000 2.307 80 R HA 0.133 4.473 4.340 -0.000 0.000 0.199 80 R C 1.296 177.601 176.300 0.008 0.000 1.000 80 R CA 0.530 56.630 56.100 0.001 0.000 1.023 80 R CB -0.213 30.079 30.300 -0.013 0.000 0.908 80 R HN 0.703 nan 8.270 nan 0.000 0.473 81 G N 1.096 109.907 108.800 0.018 0.000 2.143 81 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.248 81 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.248 81 G C 0.509 175.431 174.900 0.037 0.000 0.991 81 G CA 0.569 45.686 45.100 0.029 0.000 0.689 81 G HN 0.468 nan 8.290 nan 0.000 0.522 82 E N -0.581 119.635 120.200 0.026 0.000 2.170 82 E HA 0.252 4.602 4.350 -0.000 0.000 0.191 82 E C 1.545 178.192 176.600 0.079 0.000 0.981 82 E CA 1.125 57.546 56.400 0.036 0.000 0.830 82 E CB 0.240 29.936 29.700 -0.007 0.000 0.775 82 E HN 0.905 nan 8.360 nan 0.000 0.470 83 I N -2.507 118.089 120.570 0.043 0.000 3.074 83 I HA 0.507 4.677 4.170 -0.000 0.000 0.310 83 I C -1.358 174.816 176.117 0.094 0.000 1.153 83 I CA -1.283 60.049 61.300 0.053 0.000 0.993 83 I CB 2.329 40.191 38.000 -0.231 0.000 1.237 83 I HN -0.344 nan 8.210 nan 0.000 0.443 84 K N 2.634 123.129 120.400 0.157 0.000 2.427 84 K HA 0.491 4.811 4.320 -0.000 0.000 0.252 84 K C 0.043 176.721 176.600 0.131 0.000 0.931 84 K CA -0.742 55.623 56.287 0.131 0.000 0.793 84 K CB 2.910 35.491 32.500 0.135 0.000 1.211 84 K HN 0.619 nan 8.250 nan 0.000 0.426 85 L N 1.087 122.363 121.223 0.088 0.000 2.362 85 L HA -0.157 4.183 4.340 -0.000 0.000 0.219 85 L C 1.937 178.831 176.870 0.039 0.000 1.134 85 L CA 1.257 56.125 54.840 0.046 0.000 0.807 85 L CB -0.247 41.786 42.059 -0.043 0.000 0.927 85 L HN 0.692 nan 8.230 nan 0.000 0.447 86 S N -2.746 112.992 115.700 0.064 0.000 2.527 86 S HA 0.008 4.478 4.470 -0.000 0.000 0.222 86 S C 0.587 175.251 174.600 0.106 0.000 0.985 86 S CA -0.275 57.961 58.200 0.060 0.000 0.921 86 S CB -0.307 62.927 63.200 0.056 0.000 0.772 86 S HN 0.221 nan 8.310 nan 0.000 0.529 87 D N 3.839 124.340 120.400 0.168 0.000 2.382 87 D HA 0.333 4.973 4.640 -0.000 0.000 0.245 87 D C -2.590 173.856 176.300 0.244 0.000 1.120 87 D CA -1.606 52.524 54.000 0.217 0.000 0.890 87 D CB 0.711 41.727 40.800 0.358 0.000 1.201 87 D HN 0.152 nan 8.370 nan 0.000 0.433 88 P HA 0.038 nan 4.420 nan 0.000 0.269 88 P C 0.790 178.251 177.300 0.268 0.000 1.209 88 P CA -0.047 63.182 63.100 0.214 0.000 0.776 88 P CB 0.609 32.400 31.700 0.150 0.000 0.876 89 T N 0.501 115.244 114.554 0.314 0.000 2.759 89 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 89 T C 1.494 176.333 174.700 0.233 0.000 1.042 89 T CA 1.947 64.237 62.100 0.317 0.000 1.140 89 T CB -0.887 68.174 68.868 0.323 0.000 0.864 89 T HN 0.484 nan 8.240 nan 0.000 0.455 90 T N 1.546 116.187 114.554 0.144 0.000 2.977 90 T HA -0.063 4.287 4.350 -0.000 0.000 0.271 90 T C 1.824 176.535 174.700 0.019 0.000 1.105 90 T CA 0.939 63.070 62.100 0.052 0.000 1.116 90 T CB -0.131 68.754 68.868 0.027 0.000 0.878 90 T HN 0.463 nan 8.240 nan 0.000 0.509 91 K N 0.451 120.822 120.400 -0.048 0.000 2.097 91 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 91 K C 1.168 177.513 176.600 -0.425 0.000 1.049 91 K CA 1.389 57.496 56.287 -0.301 0.000 0.933 91 K CB -0.126 32.054 32.500 -0.534 0.000 0.717 91 K HN 0.446 nan 8.250 nan 0.000 0.442 92 Y N -2.390 117.952 120.300 0.070 0.000 2.457 92 Y HA 0.101 4.650 4.550 -0.000 0.000 0.263 92 Y C 0.255 176.217 175.900 0.103 0.000 1.164 92 Y CA -0.543 57.586 58.100 0.047 0.000 1.274 92 Y CB 0.479 38.940 38.460 0.001 0.000 1.097 92 Y HN 0.148 nan 8.280 nan 0.000 0.523 93 W N 2.169 123.467 121.300 -0.004 0.000 2.036 93 W HA 0.407 5.067 4.660 -0.000 0.000 0.294 93 W C -2.509 173.960 176.519 -0.084 0.000 0.948 93 W CA -3.763 53.544 57.345 -0.064 0.000 1.774 93 W CB 0.844 30.222 29.460 -0.137 0.000 1.950 93 W HN -0.081 nan 8.180 nan 0.000 0.384 94 P HA -0.266 nan 4.420 nan 0.000 0.218 94 P C 1.240 178.516 177.300 -0.040 0.000 1.152 94 P CA 2.336 65.462 63.100 0.043 0.000 0.857 94 P CB 0.350 32.083 31.700 0.055 0.000 0.787 95 E N -1.290 118.880 120.200 -0.049 0.000 2.347 95 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 95 E C 0.541 176.873 176.600 -0.447 0.000 1.008 95 E CA 0.169 56.459 56.400 -0.182 0.000 0.852 95 E CB -0.327 29.337 29.700 -0.059 0.000 0.783 95 E HN 0.178 nan 8.360 nan 0.000 0.505 96 L N 2.342 123.136 121.223 -0.716 0.000 2.384 96 L HA 0.025 4.365 4.340 -0.000 0.000 0.258 96 L C 1.119 177.757 176.870 -0.387 0.000 1.266 96 L CA 0.491 54.838 54.840 -0.823 0.000 1.162 96 L CB -0.065 41.293 42.059 -1.168 0.000 1.375 96 L HN -0.081 nan 8.230 nan 0.000 0.420 97 T N -0.489 113.926 114.554 -0.233 0.000 3.060 97 T HA 0.351 4.701 4.350 -0.000 0.000 0.249 97 T C 0.925 175.629 174.700 0.008 0.000 1.079 97 T CA 0.214 62.264 62.100 -0.082 0.000 1.013 97 T CB -0.010 68.819 68.868 -0.064 0.000 0.975 97 T HN 0.525 nan 8.240 nan 0.000 0.518 98 A N 2.731 125.577 122.820 0.043 0.000 2.540 98 A HA 0.271 4.590 4.320 -0.000 0.000 0.239 98 A C 1.646 179.343 177.584 0.188 0.000 1.061 98 A CA 0.015 52.130 52.037 0.130 0.000 0.758 98 A CB 0.194 19.313 19.000 0.198 0.000 0.991 98 A HN 0.670 nan 8.150 nan 0.000 0.502 99 K N 1.780 122.238 120.400 0.097 0.000 2.211 99 K HA -0.231 4.089 4.320 -0.000 0.000 0.204 99 K C 1.400 178.031 176.600 0.051 0.000 1.047 99 K CA 1.592 57.921 56.287 0.070 0.000 0.935 99 K CB -0.072 32.440 32.500 0.020 0.000 0.728 99 K HN 0.823 nan 8.250 nan 0.000 0.452 100 Q N 0.206 120.008 119.800 0.003 0.000 2.437 100 Q HA -0.145 4.195 4.340 -0.000 0.000 0.210 100 Q C 0.719 176.590 176.000 -0.216 0.000 0.972 100 Q CA 1.005 56.708 55.803 -0.167 0.000 0.903 100 Q CB -0.339 28.189 28.738 -0.350 0.000 0.967 100 Q HN 0.591 nan 8.270 nan 0.000 0.486 101 W N 1.633 122.975 121.300 0.070 0.000 3.139 101 W HA 0.192 4.852 4.660 -0.000 0.000 0.260 101 W C -0.032 176.545 176.519 0.098 0.000 1.312 101 W CA -0.598 56.817 57.345 0.117 0.000 1.606 101 W CB 0.099 29.610 29.460 0.086 0.000 1.118 101 W HN 0.052 nan 8.180 nan 0.000 0.675 102 N N 0.371 119.192 118.700 0.203 0.000 2.447 102 N HA 0.313 5.053 4.740 -0.000 0.000 0.263 102 N C 1.041 176.633 175.510 0.137 0.000 1.226 102 N CA 1.872 55.014 53.050 0.154 0.000 0.906 102 N CB 0.602 39.146 38.487 0.095 0.000 1.060 102 N HN 0.173 nan 8.380 nan 0.000 0.468 103 G N 1.810 110.714 108.800 0.173 0.000 2.175 103 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 103 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 103 G C 0.069 175.135 174.900 0.277 0.000 0.982 103 G CA -0.384 44.829 45.100 0.189 0.000 0.641 103 G HN 0.524 nan 8.290 nan 0.000 0.527 104 I N 2.814 123.569 120.570 0.308 0.000 2.304 104 I HA 0.415 4.585 4.170 -0.000 0.000 0.291 104 I C 1.120 177.533 176.117 0.494 0.000 1.018 104 I CA 0.068 61.627 61.300 0.432 0.000 1.260 104 I CB 1.261 39.451 38.000 0.316 0.000 1.390 104 I HN 0.298 nan 8.210 nan 0.000 0.475 105 T N 3.012 117.882 114.554 0.528 0.000 2.923 105 T HA 0.460 4.810 4.350 -0.000 0.000 0.281 105 T C 1.229 176.054 174.700 0.208 0.000 0.995 105 T CA -0.859 61.391 62.100 0.250 0.000 0.985 105 T CB 1.396 70.290 68.868 0.044 0.000 1.114 105 T HN 0.412 nan 8.240 nan 0.000 0.548 106 L N 0.308 121.645 121.223 0.190 0.000 2.131 106 L HA -0.024 4.316 4.340 -0.000 0.000 0.210 106 L C 2.559 179.425 176.870 -0.007 0.000 1.092 106 L CA 0.940 55.903 54.840 0.205 0.000 0.759 106 L CB -0.826 41.394 42.059 0.268 0.000 0.903 106 L HN 0.604 nan 8.230 nan 0.000 0.435 107 L N -0.279 120.880 121.223 -0.106 0.000 2.012 107 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 107 L C 2.399 179.200 176.870 -0.115 0.000 1.073 107 L CA 1.977 56.679 54.840 -0.230 0.000 0.748 107 L CB -0.682 41.245 42.059 -0.220 0.000 0.891 107 L HN 0.228 nan 8.230 nan 0.000 0.431 108 H N -0.952 118.177 119.070 0.099 0.000 2.319 108 H HA -0.171 4.385 4.556 -0.000 0.000 0.299 108 H C 2.267 177.594 175.328 -0.002 0.000 1.092 108 H CA 1.823 57.925 56.048 0.090 0.000 1.302 108 H CB -0.215 29.625 29.762 0.131 0.000 1.373 108 H HN 0.321 nan 8.280 nan 0.000 0.497 109 L N 0.112 121.419 121.223 0.141 0.000 2.012 109 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 109 L C 2.819 179.614 176.870 -0.126 0.000 1.073 109 L CA 0.916 55.806 54.840 0.083 0.000 0.748 109 L CB -0.524 41.649 42.059 0.191 0.000 0.891 109 L HN 0.365 nan 8.230 nan 0.000 0.431 110 A N -0.357 122.214 122.820 -0.414 0.000 2.015 110 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 110 A C 2.050 179.223 177.584 -0.686 0.000 1.163 110 A CA 1.946 53.505 52.037 -0.798 0.000 0.646 110 A CB -0.639 17.429 19.000 -1.553 0.000 0.806 110 A HN 0.525 nan 8.150 nan 0.000 0.448 111 T N -6.233 108.024 114.554 -0.496 0.000 3.174 111 T HA 0.328 4.678 4.350 -0.000 0.000 0.269 111 T C 0.177 174.628 174.700 -0.415 0.000 1.017 111 T CA 0.129 61.943 62.100 -0.476 0.000 0.899 111 T CB -0.574 68.311 68.868 0.030 0.000 1.077 111 T HN 0.648 nan 8.240 nan 0.000 0.552 112 Y N 0.861 121.142 120.300 -0.031 0.000 4.177 112 Y HA -0.255 4.295 4.550 0.000 0.000 0.227 112 Y C 1.211 177.073 175.900 -0.064 0.000 1.154 112 Y CA 0.513 58.596 58.100 -0.028 0.000 1.887 112 Y CB -3.171 35.287 38.460 -0.003 0.000 1.594 112 Y HN 0.616 nan 8.280 nan 0.000 0.668 113 T N -4.461 110.083 114.554 -0.016 0.000 3.215 113 T HA 0.680 5.030 4.350 -0.000 0.000 0.271 113 T C 1.458 176.124 174.700 -0.057 0.000 1.012 113 T CA 0.177 62.188 62.100 -0.148 0.000 0.899 113 T CB 0.552 69.091 68.868 -0.549 0.000 1.089 113 T HN 0.499 nan 8.240 nan 0.000 0.552 114 A N 1.278 124.130 122.820 0.052 0.000 2.168 114 A HA 0.559 4.879 4.320 -0.000 0.000 0.215 114 A C 1.904 179.556 177.584 0.113 0.000 1.152 114 A CA 0.609 52.665 52.037 0.032 0.000 0.716 114 A CB -0.839 18.182 19.000 0.034 0.000 0.794 114 A HN 1.456 nan 8.150 nan 0.000 0.465 115 G N -3.213 105.721 108.800 0.223 0.000 2.157 115 G HA2 0.384 4.344 3.960 -0.000 0.000 0.118 115 G HA3 0.384 4.344 3.960 -0.000 0.000 0.118 115 G C 1.000 176.217 174.900 0.528 0.000 1.032 115 G CA 0.362 45.692 45.100 0.382 0.000 0.697 115 G HN 1.987 nan 8.290 nan 0.000 0.495 116 G N -0.925 108.204 108.800 0.549 0.000 2.135 116 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.183 116 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.183 116 G C 0.413 175.560 174.900 0.411 0.000 1.004 116 G CA -0.016 45.353 45.100 0.447 0.000 0.677 116 G HN 1.211 nan 8.290 nan 0.000 0.512 117 L N 2.109 123.432 121.223 0.167 0.000 2.485 117 L HA 0.261 4.601 4.340 -0.000 0.000 0.275 117 L C -0.777 176.143 176.870 0.083 0.000 1.207 117 L CA -1.252 53.470 54.840 -0.196 0.000 0.855 117 L CB 0.430 42.308 42.059 -0.301 0.000 1.114 117 L HN 0.101 nan 8.230 nan 0.000 0.485 118 P HA -0.057 nan 4.420 nan 0.000 0.272 118 P C 0.515 177.883 177.300 0.113 0.000 1.223 118 P CA -0.492 62.704 63.100 0.160 0.000 0.784 118 P CB 1.052 32.876 31.700 0.207 0.000 0.923 119 L N 1.217 122.500 121.223 0.100 0.000 2.013 119 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 119 L C 0.879 177.782 176.870 0.055 0.000 1.073 119 L CA 2.068 56.954 54.840 0.076 0.000 0.753 119 L CB -0.787 41.326 42.059 0.091 0.000 0.890 119 L HN 0.378 nan 8.230 nan 0.000 0.432 120 Q N -0.603 119.222 119.800 0.042 0.000 2.348 120 Q HA 0.426 4.766 4.340 -0.000 0.000 0.271 120 Q C -0.836 175.128 176.000 -0.060 0.000 1.067 120 Q CA -0.856 54.953 55.803 0.010 0.000 0.839 120 Q CB 2.050 30.785 28.738 -0.005 0.000 1.354 120 Q HN -0.045 nan 8.270 nan 0.000 0.447 121 V N 2.918 122.759 119.914 -0.121 0.000 2.583 121 V HA 0.185 4.305 4.120 -0.000 0.000 0.287 121 V C -1.987 173.912 176.094 -0.325 0.000 1.051 121 V CA -1.336 60.729 62.300 -0.391 0.000 1.010 121 V CB 0.645 32.269 31.823 -0.332 0.000 0.988 121 V HN 0.609 nan 8.190 nan 0.000 0.478 122 P HA 0.134 nan 4.420 nan 0.000 0.265 122 P C 0.884 178.092 177.300 -0.153 0.000 1.187 122 P CA 0.918 63.888 63.100 -0.216 0.000 0.766 122 P CB 0.361 31.945 31.700 -0.195 0.000 0.820 123 D N 2.145 122.500 120.400 -0.076 0.000 2.158 123 D HA -0.223 4.417 4.640 -0.000 0.000 0.197 123 D C 1.388 177.667 176.300 -0.035 0.000 0.995 123 D CA 1.461 55.437 54.000 -0.040 0.000 0.846 123 D CB -0.741 40.050 40.800 -0.015 0.000 0.941 123 D HN 0.533 nan 8.370 nan 0.000 0.456 124 E N -0.548 119.630 120.200 -0.036 0.000 2.338 124 E HA 0.127 4.477 4.350 -0.000 0.000 0.197 124 E C 0.860 177.446 176.600 -0.025 0.000 1.007 124 E CA -0.077 56.312 56.400 -0.019 0.000 0.849 124 E CB 0.105 29.801 29.700 -0.006 0.000 0.774 124 E HN 0.467 nan 8.360 nan 0.000 0.506 125 V N 0.764 120.639 119.914 -0.064 0.000 2.479 125 V HA 0.284 4.404 4.120 -0.000 0.000 0.281 125 V C 1.015 177.089 176.094 -0.033 0.000 1.031 125 V CA 1.130 63.394 62.300 -0.060 0.000 1.038 125 V CB 0.737 32.461 31.823 -0.164 0.000 0.981 125 V HN 0.327 nan 8.190 nan 0.000 0.478 126 K N 3.526 123.926 120.400 -0.001 0.000 2.638 126 K HA 0.335 4.654 4.320 -0.000 0.000 0.207 126 K C 1.105 177.713 176.600 0.014 0.000 1.429 126 K CA 0.634 56.923 56.287 0.004 0.000 0.957 126 K CB -0.237 32.269 32.500 0.008 0.000 1.733 126 K HN 0.763 nan 8.250 nan 0.000 0.474 127 S N 0.670 116.387 115.700 0.029 0.000 2.634 127 S HA 0.251 4.721 4.470 -0.000 0.000 0.261 127 S C 1.255 175.891 174.600 0.061 0.000 1.271 127 S CA 0.271 58.492 58.200 0.036 0.000 0.985 127 S CB 1.504 64.728 63.200 0.040 0.000 0.968 127 S HN 0.366 nan 8.310 nan 0.000 0.568 128 S N 0.934 116.667 115.700 0.055 0.000 2.382 128 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 128 S C 2.093 176.789 174.600 0.159 0.000 1.027 128 S CA 1.314 59.563 58.200 0.081 0.000 0.991 128 S CB -0.764 62.462 63.200 0.044 0.000 0.823 128 S HN 0.785 nan 8.310 nan 0.000 0.469 129 S N 1.476 117.249 115.700 0.122 0.000 2.356 129 S HA -0.162 4.308 4.470 -0.000 0.000 0.223 129 S C 1.521 176.209 174.600 0.147 0.000 1.032 129 S CA 1.380 59.658 58.200 0.129 0.000 1.005 129 S CB -0.556 62.696 63.200 0.087 0.000 0.867 129 S HN 0.392 nan 8.310 nan 0.000 0.449 130 D N 0.980 121.454 120.400 0.123 0.000 2.123 130 D HA -0.077 4.563 4.640 -0.000 0.000 0.196 130 D C 1.895 178.312 176.300 0.196 0.000 0.992 130 D CA 0.751 54.826 54.000 0.125 0.000 0.833 130 D CB -0.519 40.328 40.800 0.078 0.000 0.954 130 D HN 0.294 nan 8.370 nan 0.000 0.455 131 L N 0.527 121.891 121.223 0.234 0.000 2.017 131 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 131 L C 2.224 179.440 176.870 0.577 0.000 1.073 131 L CA 1.101 56.173 54.840 0.388 0.000 0.745 131 L CB -0.733 41.538 42.059 0.352 0.000 0.894 131 L HN 0.035 nan 8.230 nan 0.000 0.432 132 L N -0.499 121.030 121.223 0.509 0.000 2.012 132 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 132 L C 2.652 179.615 176.870 0.154 0.000 1.073 132 L CA 1.757 56.801 54.840 0.339 0.000 0.748 132 L CB -0.599 41.613 42.059 0.255 0.000 0.891 132 L HN 0.195 nan 8.230 nan 0.000 0.431 133 R N -1.534 119.067 120.500 0.167 0.000 2.081 133 R HA -0.201 4.139 4.340 -0.000 0.000 0.235 133 R C 2.213 178.599 176.300 0.144 0.000 1.131 133 R CA 1.770 57.944 56.100 0.123 0.000 0.960 133 R CB -0.747 29.625 30.300 0.119 0.000 0.856 133 R HN 0.431 nan 8.270 nan 0.000 0.436 134 F N 0.530 120.512 119.950 0.054 0.000 2.046 134 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 134 F C 1.705 177.518 175.800 0.022 0.000 1.123 134 F CA 1.436 59.423 58.000 -0.022 0.000 1.199 134 F CB -0.590 38.310 39.000 -0.167 0.000 0.972 134 F HN -0.073 nan 8.300 nan 0.000 0.474 135 Y N 0.519 120.760 120.300 -0.099 0.000 2.242 135 Y HA -0.175 4.375 4.550 0.000 0.000 0.291 135 Y C 2.646 178.630 175.900 0.139 0.000 1.137 135 Y CA 1.576 59.632 58.100 -0.074 0.000 1.181 135 Y CB -0.907 37.494 38.460 -0.099 0.000 0.989 135 Y HN 0.162 nan 8.280 nan 0.000 0.527 136 Q N -0.024 119.843 119.800 0.112 0.000 2.167 136 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 136 Q C 1.278 177.367 176.000 0.147 0.000 0.970 136 Q CA 1.316 57.179 55.803 0.101 0.000 0.855 136 Q CB -0.437 28.286 28.738 -0.024 0.000 0.911 136 Q HN 0.667 nan 8.270 nan 0.000 0.438 137 N N -0.964 117.789 118.700 0.089 0.000 2.373 137 N HA -0.043 4.697 4.740 -0.000 0.000 0.181 137 N C -0.104 175.424 175.510 0.029 0.000 1.082 137 N CA -0.399 52.678 53.050 0.045 0.000 0.885 137 N CB 0.202 38.711 38.487 0.037 0.000 0.977 137 N HN 0.149 nan 8.380 nan 0.000 0.462 138 W N 2.932 124.139 121.300 -0.155 0.000 2.251 138 W HA 0.076 4.736 4.660 -0.000 0.000 0.327 138 W C -0.616 175.813 176.519 -0.150 0.000 1.361 138 W CA 0.003 57.224 57.345 -0.207 0.000 1.234 138 W CB 0.536 29.820 29.460 -0.294 0.000 1.212 138 W HN -0.067 nan 8.180 nan 0.000 0.557 139 Q N 8.529 127.750 119.800 -0.964 0.000 2.333 139 Q HA 0.319 4.659 4.340 -0.000 0.000 0.268 139 Q C -2.048 173.082 176.000 -1.450 0.000 1.007 139 Q CA -2.102 53.086 55.803 -1.024 0.000 0.810 139 Q CB 1.387 29.811 28.738 -0.522 0.000 1.264 139 Q HN 0.408 nan 8.270 nan 0.000 0.452 140 P HA 0.060 nan 4.420 nan 0.000 0.269 140 P C -0.253 176.671 177.300 -0.627 0.000 1.209 140 P CA 0.080 62.541 63.100 -1.064 0.000 0.776 140 P CB 0.962 32.181 31.700 -0.802 0.000 0.876 141 A N 2.481 124.941 122.820 -0.600 0.000 2.081 141 A HA 0.142 4.462 4.320 -0.000 0.000 0.214 141 A C 0.408 177.320 177.584 -1.120 0.000 1.158 141 A CA 0.545 51.980 52.037 -1.003 0.000 0.724 141 A CB -0.155 17.865 19.000 -1.633 0.000 0.826 141 A HN 0.598 nan 8.150 nan 0.000 0.463 142 W N -2.846 118.412 121.300 -0.070 0.000 3.042 142 W HA 0.635 5.295 4.660 -0.000 0.000 0.342 142 W C -0.026 176.437 176.519 -0.093 0.000 1.240 142 W CA -1.199 56.104 57.345 -0.069 0.000 1.166 142 W CB 0.938 30.372 29.460 -0.045 0.000 1.469 142 W HN 0.110 nan 8.180 nan 0.000 0.579 143 A N 2.041 124.953 122.820 0.154 0.000 2.346 143 A HA 0.615 4.935 4.320 -0.000 0.000 0.252 143 A C -2.281 175.308 177.584 0.009 0.000 1.089 143 A CA -0.876 51.183 52.037 0.036 0.000 0.797 143 A CB -0.689 18.329 19.000 0.030 0.000 1.047 143 A HN 0.141 nan 8.150 nan 0.000 0.494 144 P HA 0.303 nan 4.420 nan 0.000 0.269 144 P C 0.778 177.930 177.300 -0.246 0.000 1.209 144 P CA 1.540 64.457 63.100 -0.304 0.000 0.776 144 P CB 0.541 31.966 31.700 -0.459 0.000 0.876 145 G N 1.472 110.079 108.800 -0.322 0.000 2.198 145 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.260 145 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.260 145 G C 0.649 175.497 174.900 -0.086 0.000 1.025 145 G CA 0.822 45.893 45.100 -0.047 0.000 0.769 145 G HN 0.684 nan 8.290 nan 0.000 0.507 146 T N -5.162 109.298 114.554 -0.157 0.000 2.989 146 T HA 0.431 4.781 4.350 -0.000 0.000 0.250 146 T C 0.536 175.089 174.700 -0.245 0.000 0.981 146 T CA 0.714 62.742 62.100 -0.120 0.000 0.980 146 T CB 0.669 69.507 68.868 -0.050 0.000 1.133 146 T HN 0.284 nan 8.240 nan 0.000 0.489 147 Q N 0.996 120.606 119.800 -0.317 0.000 2.347 147 Q HA 0.476 4.816 4.340 -0.000 0.000 0.271 147 Q C -1.365 174.441 176.000 -0.324 0.000 1.064 147 Q CA -0.508 55.028 55.803 -0.445 0.000 0.800 147 Q CB 3.189 31.368 28.738 -0.932 0.000 1.304 147 Q HN 0.384 nan 8.270 nan 0.000 0.438 148 R N 2.298 122.637 120.500 -0.268 0.000 2.229 148 R HA 0.536 4.876 4.340 -0.000 0.000 0.328 148 R C -1.222 175.059 176.300 -0.033 0.000 1.009 148 R CA -0.574 55.458 56.100 -0.113 0.000 0.864 148 R CB 0.499 30.768 30.300 -0.052 0.000 1.085 148 R HN 0.454 nan 8.270 nan 0.000 0.453 149 L N 5.989 127.263 121.223 0.085 0.000 2.427 149 L HA 0.264 4.604 4.340 -0.000 0.000 0.264 149 L C -1.404 175.510 176.870 0.073 0.000 0.989 149 L CA -0.694 54.217 54.840 0.118 0.000 0.865 149 L CB 0.995 43.208 42.059 0.256 0.000 1.209 149 L HN 0.627 nan 8.230 nan 0.000 0.430 150 Y N 4.623 124.789 120.300 -0.224 0.000 2.881 150 Y HA 0.318 4.868 4.550 -0.000 0.000 0.335 150 Y C 0.177 175.891 175.900 -0.310 0.000 1.263 150 Y CA 1.128 58.864 58.100 -0.606 0.000 1.572 150 Y CB 0.434 38.631 38.460 -0.439 0.000 1.237 150 Y HN 0.839 nan 8.280 nan 0.000 0.568 151 A N 5.471 127.916 122.820 -0.626 0.000 2.512 151 A HA 0.280 4.600 4.320 -0.000 0.000 0.294 151 A C -0.108 177.402 177.584 -0.122 0.000 1.054 151 A CA -0.907 51.013 52.037 -0.194 0.000 0.756 151 A CB 0.798 19.816 19.000 0.029 0.000 1.293 151 A HN 0.772 nan 8.150 nan 0.000 0.395 152 N N 1.153 119.820 118.700 -0.055 0.000 2.166 152 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 152 N C 2.023 177.595 175.510 0.103 0.000 1.019 152 N CA 1.962 55.040 53.050 0.046 0.000 0.856 152 N CB -0.139 38.430 38.487 0.137 0.000 0.993 152 N HN 0.851 nan 8.380 nan 0.000 0.426 153 S N -1.081 114.698 115.700 0.131 0.000 2.474 153 S HA 0.022 4.492 4.470 -0.000 0.000 0.235 153 S C 1.999 176.778 174.600 0.298 0.000 0.997 153 S CA 1.002 59.352 58.200 0.250 0.000 0.949 153 S CB -0.057 63.304 63.200 0.268 0.000 0.766 153 S HN 0.204 nan 8.310 nan 0.000 0.517 154 S N 1.112 116.930 115.700 0.196 0.000 2.357 154 S HA 0.267 4.737 4.470 -0.000 0.000 0.209 154 S C 1.621 176.312 174.600 0.151 0.000 1.023 154 S CA 0.410 58.718 58.200 0.180 0.000 0.933 154 S CB -0.554 62.770 63.200 0.205 0.000 0.897 154 S HN 0.552 nan 8.310 nan 0.000 0.529 155 I N 1.313 121.971 120.570 0.148 0.000 2.493 155 I HA 0.003 4.173 4.170 -0.000 0.000 0.254 155 I C 2.102 178.286 176.117 0.112 0.000 1.160 155 I CA 1.134 62.501 61.300 0.111 0.000 1.445 155 I CB -0.569 37.485 38.000 0.090 0.000 1.086 155 I HN 0.487 nan 8.210 nan 0.000 0.433 156 G N 0.985 109.822 108.800 0.062 0.000 2.418 156 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 156 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 156 G C 1.530 176.384 174.900 -0.077 0.000 1.158 156 G CA 0.828 45.901 45.100 -0.046 0.000 0.771 156 G HN 0.381 nan 8.290 nan 0.000 0.545 157 L N -0.312 120.919 121.223 0.012 0.000 2.093 157 L HA 0.177 4.517 4.340 -0.000 0.000 0.208 157 L C 2.393 179.220 176.870 -0.071 0.000 1.085 157 L CA 1.293 56.082 54.840 -0.085 0.000 0.755 157 L CB -0.715 41.246 42.059 -0.164 0.000 0.904 157 L HN 0.220 nan 8.230 nan 0.000 0.435 158 F N 0.509 120.395 119.950 -0.106 0.000 2.065 158 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 158 F C 2.213 177.945 175.800 -0.113 0.000 1.112 158 F CA 1.860 59.799 58.000 -0.101 0.000 1.212 158 F CB -1.104 37.846 39.000 -0.083 0.000 0.975 158 F HN 0.120 nan 8.300 nan 0.000 0.476 159 G N -0.319 108.348 108.800 -0.222 0.000 2.446 159 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 159 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 159 G C 1.828 176.566 174.900 -0.269 0.000 1.168 159 G CA 1.114 46.054 45.100 -0.266 0.000 0.771 159 G HN 0.683 nan 8.290 nan 0.000 0.551 160 A N 0.384 122.994 122.820 -0.349 0.000 1.902 160 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 160 A C 2.433 179.851 177.584 -0.276 0.000 1.181 160 A CA 1.298 53.157 52.037 -0.296 0.000 0.623 160 A CB -0.326 18.467 19.000 -0.345 0.000 0.818 160 A HN 0.366 nan 8.150 nan 0.000 0.443 161 L N -1.077 119.953 121.223 -0.322 0.000 2.179 161 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 161 L C 3.001 179.631 176.870 -0.399 0.000 1.096 161 L CA 0.750 55.410 54.840 -0.300 0.000 0.779 161 L CB -0.578 41.352 42.059 -0.214 0.000 0.922 161 L HN 0.405 nan 8.230 nan 0.000 0.443 162 A N 0.465 122.955 122.820 -0.549 0.000 1.978 162 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 162 A C 2.120 179.491 177.584 -0.354 0.000 1.170 162 A CA 1.951 53.622 52.037 -0.610 0.000 0.636 162 A CB -0.718 17.745 19.000 -0.894 0.000 0.810 162 A HN 0.353 nan 8.150 nan 0.000 0.448 163 V N -4.156 115.617 119.914 -0.236 0.000 3.649 163 V HA 0.107 4.227 4.120 -0.000 0.000 0.275 163 V C 1.616 177.639 176.094 -0.119 0.000 1.281 163 V CA 0.711 62.916 62.300 -0.159 0.000 1.143 163 V CB -0.351 31.401 31.823 -0.117 0.000 0.892 163 V HN 0.209 nan 8.190 nan 0.000 0.441 164 K N 1.680 122.009 120.400 -0.119 0.000 2.032 164 K HA -0.051 4.269 4.320 -0.000 0.000 0.209 164 K C 0.217 176.807 176.600 -0.017 0.000 1.048 164 K CA 2.043 58.293 56.287 -0.060 0.000 0.927 164 K CB -1.870 30.618 32.500 -0.021 0.000 0.712 164 K HN 0.467 nan 8.250 nan 0.000 0.441 165 P HA -0.115 nan 4.420 nan 0.000 0.218 165 P C 1.461 178.756 177.300 -0.008 0.000 1.148 165 P CA 1.576 64.696 63.100 0.034 0.000 0.822 165 P CB -0.071 31.672 31.700 0.071 0.000 0.784 166 S N -1.496 114.180 115.700 -0.040 0.000 2.447 166 S HA 0.025 4.495 4.470 -0.000 0.000 0.233 166 S C 1.910 176.481 174.600 -0.049 0.000 1.006 166 S CA 1.092 59.261 58.200 -0.052 0.000 0.957 166 S CB -1.522 61.629 63.200 -0.082 0.000 0.773 166 S HN 0.302 nan 8.310 nan 0.000 0.507 167 G N 0.594 109.367 108.800 -0.046 0.000 2.184 167 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.264 167 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.264 167 G C 0.001 174.869 174.900 -0.053 0.000 0.975 167 G CA 0.544 45.619 45.100 -0.042 0.000 0.642 167 G HN 0.582 nan 8.290 nan 0.000 0.536 168 L N 1.501 122.682 121.223 -0.070 0.000 2.399 168 L HA 0.609 4.949 4.340 -0.000 0.000 0.265 168 L C 1.468 178.290 176.870 -0.079 0.000 1.089 168 L CA -0.284 54.507 54.840 -0.081 0.000 0.802 168 L CB 1.376 43.370 42.059 -0.109 0.000 1.180 168 L HN 0.380 nan 8.230 nan 0.000 0.454 169 S N 0.163 115.820 115.700 -0.071 0.000 2.600 169 S HA 0.082 4.552 4.470 -0.000 0.000 0.265 169 S C 0.798 175.366 174.600 -0.054 0.000 1.325 169 S CA -0.381 57.793 58.200 -0.044 0.000 1.002 169 S CB 0.526 63.707 63.200 -0.032 0.000 0.921 169 S HN 0.537 nan 8.310 nan 0.000 0.554 170 F N 1.199 121.060 119.950 -0.149 0.000 2.102 170 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 170 F C 2.515 178.206 175.800 -0.183 0.000 1.105 170 F CA 2.159 60.054 58.000 -0.174 0.000 1.239 170 F CB -0.490 38.406 39.000 -0.174 0.000 0.991 170 F HN 0.944 nan 8.300 nan 0.000 0.474 171 E N -0.536 119.626 120.200 -0.063 0.000 2.077 171 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 171 E C 2.144 178.593 176.600 -0.252 0.000 0.989 171 E CA 1.389 57.700 56.400 -0.150 0.000 0.800 171 E CB -0.145 29.552 29.700 -0.005 0.000 0.746 171 E HN 0.382 nan 8.360 nan 0.000 0.452 172 Q N 0.055 119.745 119.800 -0.184 0.000 2.119 172 Q HA -0.090 4.250 4.340 -0.000 0.000 0.201 172 Q C 2.142 177.983 176.000 -0.264 0.000 0.972 172 Q CA 1.378 57.072 55.803 -0.181 0.000 0.847 172 Q CB -0.431 28.238 28.738 -0.115 0.000 0.903 172 Q HN 0.413 nan 8.270 nan 0.000 0.433 173 A N 0.727 123.357 122.820 -0.316 0.000 1.877 173 A HA -0.221 4.098 4.320 -0.000 0.000 0.216 173 A C 2.164 179.457 177.584 -0.484 0.000 1.186 173 A CA 1.962 53.785 52.037 -0.356 0.000 0.620 173 A CB -0.521 18.255 19.000 -0.373 0.000 0.822 173 A HN 0.342 nan 8.150 nan 0.000 0.443 174 M N -0.392 118.779 119.600 -0.715 0.000 2.080 174 M HA -0.195 4.285 4.480 -0.000 0.000 0.260 174 M C 2.165 177.856 176.300 -1.016 0.000 1.068 174 M CA 2.097 56.830 55.300 -0.944 0.000 1.109 174 M CB -0.637 31.250 32.600 -1.189 0.000 1.342 174 M HN 0.544 nan 8.290 nan 0.000 0.405 175 Q N -1.144 118.205 119.800 -0.751 0.000 2.020 175 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 175 Q C 1.906 177.726 176.000 -0.300 0.000 0.982 175 Q CA 2.568 58.091 55.803 -0.466 0.000 0.838 175 Q CB -0.275 28.303 28.738 -0.267 0.000 0.899 175 Q HN 0.787 nan 8.270 nan 0.000 0.423 176 T N -2.376 112.021 114.554 -0.261 0.000 3.023 176 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 176 T C 1.586 176.191 174.700 -0.157 0.000 1.093 176 T CA 0.536 62.532 62.100 -0.173 0.000 1.129 176 T CB 0.045 68.828 68.868 -0.142 0.000 0.899 176 T HN 0.150 nan 8.240 nan 0.000 0.491 177 R N -0.138 120.237 120.500 -0.208 0.000 2.282 177 R HA 0.385 4.725 4.340 -0.000 0.000 0.195 177 R C 1.508 177.740 176.300 -0.114 0.000 0.909 177 R CA 0.222 56.231 56.100 -0.151 0.000 1.039 177 R CB 0.462 30.663 30.300 -0.165 0.000 1.015 177 R HN 0.296 nan 8.270 nan 0.000 0.513 178 V N -0.936 118.871 119.914 -0.178 0.000 3.134 178 V HA 0.029 4.149 4.120 -0.000 0.000 0.222 178 V C 1.397 177.546 176.094 0.090 0.000 1.247 178 V CA 0.450 62.723 62.300 -0.044 0.000 1.281 178 V CB -0.351 31.405 31.823 -0.112 0.000 1.169 178 V HN -0.036 nan 8.190 nan 0.000 0.512 179 F N 1.597 121.466 119.950 -0.136 0.000 2.069 179 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 179 F C 2.634 178.342 175.800 -0.153 0.000 1.113 179 F CA 1.562 59.447 58.000 -0.191 0.000 1.214 179 F CB -1.298 37.480 39.000 -0.371 0.000 0.978 179 F HN 0.196 nan 8.300 nan 0.000 0.474 180 Q N -0.239 119.580 119.800 0.033 0.000 2.050 180 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 180 Q C -0.301 175.696 176.000 -0.006 0.000 0.980 180 Q CA 1.757 57.543 55.803 -0.028 0.000 0.840 180 Q CB -1.522 27.176 28.738 -0.066 0.000 0.898 180 Q HN 0.286 nan 8.270 nan 0.000 0.424 181 P HA -0.136 nan 4.420 nan 0.000 0.220 181 P C 0.596 177.922 177.300 0.043 0.000 1.148 181 P CA 1.168 64.278 63.100 0.016 0.000 0.803 181 P CB 0.075 31.785 31.700 0.017 0.000 0.782 182 L N -1.293 119.981 121.223 0.084 0.000 2.611 182 L HA 0.174 4.514 4.340 -0.000 0.000 0.229 182 L C 0.346 177.263 176.870 0.078 0.000 1.137 182 L CA -0.002 54.907 54.840 0.114 0.000 0.901 182 L CB -0.630 41.567 42.059 0.231 0.000 1.098 182 L HN -0.059 nan 8.230 nan 0.000 0.456 183 K N 0.990 121.408 120.400 0.031 0.000 3.077 183 K HA -0.174 4.146 4.320 -0.000 0.000 0.264 183 K C -0.241 176.343 176.600 -0.027 0.000 1.008 183 K CA 0.452 56.733 56.287 -0.009 0.000 0.740 183 K CB -1.768 30.732 32.500 0.000 0.000 1.273 183 K HN 0.365 nan 8.250 nan 0.000 0.477 184 L N 1.403 122.597 121.223 -0.048 0.000 2.422 184 L HA 0.126 4.466 4.340 -0.000 0.000 0.256 184 L C 0.985 177.682 176.870 -0.288 0.000 1.202 184 L CA -0.513 54.250 54.840 -0.129 0.000 1.119 184 L CB 0.097 42.055 42.059 -0.169 0.000 1.383 184 L HN 0.149 nan 8.230 nan 0.000 0.411 185 N N 0.338 118.874 118.700 -0.274 0.000 2.521 185 N HA -0.051 4.689 4.740 -0.000 0.000 0.188 185 N C 0.628 175.709 175.510 -0.715 0.000 1.146 185 N CA 0.724 53.499 53.050 -0.458 0.000 0.893 185 N CB 0.151 38.385 38.487 -0.421 0.000 0.975 185 N HN 0.506 nan 8.380 nan 0.000 0.451 186 H N -0.970 118.000 119.070 -0.167 0.000 2.651 186 H HA 0.262 4.818 4.556 -0.000 0.000 0.241 186 H C -0.353 174.865 175.328 -0.184 0.000 1.225 186 H CA -0.124 55.894 56.048 -0.051 0.000 0.942 186 H CB 0.379 30.139 29.762 -0.003 0.000 1.996 186 H HN -0.136 nan 8.280 nan 0.000 0.600 187 T N 0.904 115.132 114.554 -0.543 0.000 2.792 187 T HA 0.367 4.717 4.350 -0.000 0.000 0.280 187 T C -0.729 173.263 174.700 -1.180 0.000 0.990 187 T CA -0.421 61.181 62.100 -0.829 0.000 0.960 187 T CB 1.392 69.540 68.868 -1.201 0.000 0.939 187 T HN 0.223 nan 8.240 nan 0.000 0.439 188 W N 1.702 122.661 121.300 -0.569 0.000 3.107 188 W HA 0.556 5.216 4.660 0.000 0.000 0.331 188 W C 0.528 176.896 176.519 -0.252 0.000 1.204 188 W CA -0.792 56.355 57.345 -0.331 0.000 1.184 188 W CB 1.094 30.389 29.460 -0.275 0.000 1.421 188 W HN 0.482 nan 8.180 nan 0.000 0.544 189 I N 1.355 122.028 120.570 0.173 0.000 2.628 189 I HA -0.003 4.167 4.170 -0.000 0.000 0.255 189 I C 0.297 176.438 176.117 0.041 0.000 1.119 189 I CA 0.754 62.100 61.300 0.076 0.000 1.448 189 I CB 0.023 38.087 38.000 0.107 0.000 1.133 189 I HN 0.263 nan 8.210 nan 0.000 0.438 190 N N 1.383 120.149 118.700 0.110 0.000 2.518 190 N HA 0.243 4.983 4.740 -0.000 0.000 0.254 190 N C -0.865 174.575 175.510 -0.116 0.000 0.979 190 N CA -0.201 52.848 53.050 -0.003 0.000 0.930 190 N CB 2.452 40.946 38.487 0.011 0.000 1.152 190 N HN -0.200 nan 8.380 nan 0.000 0.505 191 V N 4.822 124.574 119.914 -0.270 0.000 2.450 191 V HA 0.113 4.233 4.120 -0.000 0.000 0.281 191 V C -1.385 174.394 176.094 -0.526 0.000 1.019 191 V CA -0.848 61.148 62.300 -0.506 0.000 1.062 191 V CB 0.108 31.607 31.823 -0.540 0.000 0.979 191 V HN 0.495 nan 8.190 nan 0.000 0.477 192 P HA 0.250 nan 4.420 nan 0.000 0.274 192 P C -2.317 174.765 177.300 -0.363 0.000 1.246 192 P CA -1.767 60.973 63.100 -0.599 0.000 0.795 192 P CB 0.617 31.811 31.700 -0.843 0.000 1.006 193 P HA -0.192 nan 4.420 nan 0.000 0.216 193 P C 1.496 178.719 177.300 -0.127 0.000 1.150 193 P CA 2.236 65.253 63.100 -0.139 0.000 0.843 193 P CB -0.480 31.161 31.700 -0.099 0.000 0.787 194 A N -0.387 122.343 122.820 -0.150 0.000 2.070 194 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 194 A C 1.949 179.476 177.584 -0.095 0.000 1.159 194 A CA 1.480 53.456 52.037 -0.102 0.000 0.656 194 A CB -0.711 18.238 19.000 -0.085 0.000 0.800 194 A HN 0.124 nan 8.150 nan 0.000 0.453 195 E N -0.720 119.381 120.200 -0.164 0.000 2.498 195 E HA 0.021 4.371 4.350 -0.000 0.000 0.203 195 E C 1.232 177.780 176.600 -0.086 0.000 1.013 195 E CA 0.043 56.366 56.400 -0.128 0.000 0.927 195 E CB 0.054 29.622 29.700 -0.221 0.000 1.012 195 E HN 0.744 nan 8.360 nan 0.000 0.482 196 E N 1.375 121.532 120.200 -0.072 0.000 2.160 196 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 196 E C 1.933 178.545 176.600 0.020 0.000 0.991 196 E CA 1.229 57.629 56.400 -0.000 0.000 0.810 196 E CB -0.066 29.631 29.700 -0.006 0.000 0.742 196 E HN 0.229 nan 8.360 nan 0.000 0.466 197 K N 0.271 120.676 120.400 0.008 0.000 2.362 197 K HA -0.043 4.277 4.320 -0.000 0.000 0.200 197 K C 1.165 177.780 176.600 0.024 0.000 1.046 197 K CA 1.025 57.325 56.287 0.022 0.000 0.952 197 K CB 0.123 32.632 32.500 0.016 0.000 0.753 197 K HN -0.012 nan 8.250 nan 0.000 0.466 198 N N -0.024 118.685 118.700 0.016 0.000 2.236 198 N HA -0.053 4.687 4.740 -0.000 0.000 0.196 198 N C -0.701 174.833 175.510 0.040 0.000 1.114 198 N CA 0.016 53.073 53.050 0.012 0.000 0.859 198 N CB 0.209 38.685 38.487 -0.017 0.000 0.982 198 N HN 0.163 nan 8.380 nan 0.000 0.493 199 Y N 3.076 123.292 120.300 -0.140 0.000 2.539 199 Y HA 0.410 4.960 4.550 -0.000 0.000 0.352 199 Y C 0.225 176.016 175.900 -0.182 0.000 1.004 199 Y CA -1.775 56.202 58.100 -0.205 0.000 1.278 199 Y CB -0.553 37.731 38.460 -0.294 0.000 1.136 199 Y HN -0.043 nan 8.280 nan 0.000 0.528 200 A N 5.960 128.830 122.820 0.083 0.000 2.466 200 A HA 0.140 4.460 4.320 -0.000 0.000 0.238 200 A C -0.574 177.031 177.584 0.036 0.000 1.074 200 A CA -0.260 51.790 52.037 0.021 0.000 0.774 200 A CB 0.160 19.093 19.000 -0.111 0.000 1.015 200 A HN 0.874 nan 8.150 nan 0.000 0.498 201 W N 0.273 121.581 121.300 0.014 0.000 2.313 201 W HA 0.500 5.160 4.660 0.000 0.000 0.328 201 W C 0.837 177.057 176.519 -0.498 0.000 1.197 201 W CA 0.470 57.642 57.345 -0.288 0.000 1.235 201 W CB 1.300 30.409 29.460 -0.584 0.000 1.158 201 W HN 0.931 nan 8.180 nan 0.000 0.578 202 G N 1.110 109.725 108.800 -0.309 0.000 2.451 202 G HA2 0.527 4.487 3.960 -0.000 0.000 0.303 202 G HA3 0.527 4.487 3.960 -0.000 0.000 0.303 202 G C -2.202 172.324 174.900 -0.624 0.000 1.166 202 G CA -0.460 44.153 45.100 -0.813 0.000 0.884 202 G HN 0.406 nan 8.290 nan 0.000 0.514 203 Y N -0.368 119.844 120.300 -0.146 0.000 2.346 203 Y HA 0.511 5.061 4.550 -0.000 0.000 0.332 203 Y C 0.384 176.278 175.900 -0.010 0.000 0.985 203 Y CA -0.801 57.272 58.100 -0.045 0.000 1.112 203 Y CB 2.282 40.721 38.460 -0.036 0.000 1.170 203 Y HN 0.521 nan 8.280 nan 0.000 0.447 204 R N 2.244 122.809 120.500 0.109 0.000 2.409 204 R HA 0.540 4.880 4.340 -0.000 0.000 0.313 204 R C 0.202 176.549 176.300 0.079 0.000 0.953 204 R CA 0.573 56.726 56.100 0.088 0.000 0.849 204 R CB 0.947 31.286 30.300 0.065 0.000 1.171 204 R HN 0.898 nan 8.270 nan 0.000 0.458 205 E N 2.139 122.383 120.200 0.074 0.000 2.440 205 E HA -0.226 4.124 4.350 -0.000 0.000 0.246 205 E C 0.764 177.397 176.600 0.054 0.000 1.165 205 E CA 1.541 57.973 56.400 0.052 0.000 0.726 205 E CB -2.447 27.275 29.700 0.036 0.000 1.271 205 E HN 1.530 nan 8.360 nan 0.000 0.397 206 G N -3.478 105.375 108.800 0.088 0.000 2.253 206 G HA2 0.189 4.149 3.960 -0.000 0.000 0.251 206 G HA3 0.189 4.149 3.960 -0.000 0.000 0.251 206 G C 0.838 175.829 174.900 0.153 0.000 0.998 206 G CA 1.595 46.750 45.100 0.092 0.000 0.621 206 G HN 2.191 nan 8.290 nan 0.000 0.524 207 K N 0.197 120.660 120.400 0.105 0.000 2.172 207 K HA 0.930 5.250 4.320 -0.000 0.000 0.276 207 K C 0.388 176.947 176.600 -0.070 0.000 1.013 207 K CA 0.511 56.811 56.287 0.022 0.000 0.913 207 K CB 1.169 33.651 32.500 -0.031 0.000 1.055 207 K HN 1.934 nan 8.250 nan 0.000 0.461 208 A N 1.395 124.050 122.820 -0.274 0.000 2.454 208 A HA 0.543 4.863 4.320 -0.000 0.000 0.260 208 A C 0.330 177.701 177.584 -0.356 0.000 1.106 208 A CA 0.251 51.897 52.037 -0.651 0.000 0.780 208 A CB -0.691 17.678 19.000 -1.052 0.000 1.044 208 A HN 1.806 nan 8.150 nan 0.000 0.498 209 V N 0.951 120.801 119.914 -0.106 0.000 3.049 209 V HA 0.698 4.818 4.120 -0.000 0.000 0.309 209 V C -0.668 175.587 176.094 0.268 0.000 1.148 209 V CA -0.842 61.526 62.300 0.113 0.000 0.990 209 V CB 1.354 33.222 31.823 0.075 0.000 1.039 209 V HN 0.959 nan 8.190 nan 0.000 0.430 210 H N 0.186 119.397 119.070 0.235 0.000 2.747 210 H HA 0.675 5.231 4.556 -0.000 0.000 0.371 210 H C -0.661 174.764 175.328 0.162 0.000 1.161 210 H CA -1.004 55.118 56.048 0.123 0.000 1.167 210 H CB 2.378 32.071 29.762 -0.115 0.000 1.732 210 H HN 0.776 nan 8.280 nan 0.000 0.544 211 V N 2.385 122.479 119.914 0.300 0.000 2.673 211 V HA -0.013 4.107 4.120 -0.000 0.000 0.303 211 V C -0.214 175.998 176.094 0.198 0.000 1.046 211 V CA 0.370 62.805 62.300 0.226 0.000 1.126 211 V CB 0.798 32.754 31.823 0.222 0.000 0.934 211 V HN 0.745 nan 8.190 nan 0.000 0.487 212 S N 7.264 123.065 115.700 0.169 0.000 2.610 212 S HA 0.505 4.975 4.470 -0.000 0.000 0.273 212 S C -2.305 172.386 174.600 0.152 0.000 1.274 212 S CA -0.754 57.530 58.200 0.141 0.000 1.023 212 S CB 1.124 64.388 63.200 0.107 0.000 0.962 212 S HN 0.813 nan 8.310 nan 0.000 0.523 213 P HA 0.454 nan 4.420 nan 0.000 0.269 213 P C -0.118 177.241 177.300 0.097 0.000 1.215 213 P CA -0.042 63.109 63.100 0.086 0.000 0.780 213 P CB 0.370 32.102 31.700 0.052 0.000 0.898 214 G N -0.228 108.620 108.800 0.080 0.000 2.632 214 G HA2 0.543 4.503 3.960 -0.000 0.000 0.292 214 G HA3 0.543 4.503 3.960 -0.000 0.000 0.292 214 G C -1.443 173.463 174.900 0.010 0.000 1.465 214 G CA -0.430 44.721 45.100 0.086 0.000 0.824 214 G HN 0.530 nan 8.290 nan 0.000 0.509 215 A N 0.442 123.259 122.820 -0.006 0.000 2.511 215 A HA 0.542 4.862 4.320 -0.000 0.000 0.242 215 A C 1.440 178.977 177.584 -0.078 0.000 1.069 215 A CA 0.533 52.544 52.037 -0.044 0.000 0.763 215 A CB -0.388 18.585 19.000 -0.046 0.000 1.001 215 A HN 1.773 nan 8.150 nan 0.000 0.498 216 L N 0.476 121.619 121.223 -0.134 0.000 4.001 216 L HA -0.320 4.020 4.340 -0.000 0.000 0.413 216 L C 1.121 177.768 176.870 -0.371 0.000 1.185 216 L CA 0.689 55.397 54.840 -0.219 0.000 0.963 216 L CB -1.755 40.233 42.059 -0.119 0.000 1.976 216 L HN 1.006 nan 8.230 nan 0.000 0.939 217 D N 0.054 120.190 120.400 -0.440 0.000 2.117 217 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 217 D C 1.969 177.831 176.300 -0.730 0.000 0.982 217 D CA 1.336 54.778 54.000 -0.931 0.000 0.828 217 D CB -0.088 40.349 40.800 -0.604 0.000 0.967 217 D HN 0.433 nan 8.370 nan 0.000 0.464 218 A N 0.905 123.479 122.820 -0.410 0.000 1.883 218 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 218 A C 2.134 179.521 177.584 -0.329 0.000 1.186 218 A CA 1.996 53.885 52.037 -0.246 0.000 0.624 218 A CB -0.735 18.211 19.000 -0.091 0.000 0.822 218 A HN 0.205 nan 8.150 nan 0.000 0.444 219 E N -0.337 119.458 120.200 -0.674 0.000 2.150 219 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 219 E C 2.001 178.422 176.600 -0.299 0.000 0.985 219 E CA 1.335 57.254 56.400 -0.802 0.000 0.814 219 E CB -0.255 28.916 29.700 -0.882 0.000 0.752 219 E HN 0.607 nan 8.360 nan 0.000 0.466 220 A N -0.395 122.258 122.820 -0.279 0.000 2.035 220 A HA 0.091 4.411 4.320 -0.000 0.000 0.208 220 A C 0.713 178.355 177.584 0.098 0.000 1.206 220 A CA 0.643 52.644 52.037 -0.060 0.000 0.773 220 A CB 0.028 19.049 19.000 0.035 0.000 0.878 220 A HN 0.410 nan 8.150 nan 0.000 0.469 221 Y N -4.136 116.177 120.300 0.023 0.000 3.070 221 Y HA 0.478 5.028 4.550 -0.000 0.000 0.254 221 Y C 0.725 176.641 175.900 0.026 0.000 1.070 221 Y CA -0.548 57.581 58.100 0.048 0.000 1.229 221 Y CB -0.431 38.065 38.460 0.059 0.000 1.264 221 Y HN -0.012 nan 8.280 nan 0.000 0.639 222 G N 0.690 109.430 108.800 -0.100 0.000 3.284 222 G HA2 0.372 4.332 3.960 -0.000 0.000 0.236 222 G HA3 0.372 4.332 3.960 -0.000 0.000 0.236 222 G C -0.275 174.599 174.900 -0.043 0.000 1.158 222 G CA 0.042 45.100 45.100 -0.070 0.000 0.774 222 G HN 0.132 nan 8.290 nan 0.000 0.545 223 V N 0.538 120.425 119.914 -0.046 0.000 2.546 223 V HA 0.441 4.561 4.120 -0.000 0.000 0.284 223 V C -0.292 175.689 176.094 -0.189 0.000 1.050 223 V CA -0.465 61.741 62.300 -0.156 0.000 0.981 223 V CB 1.461 33.102 31.823 -0.303 0.000 0.990 223 V HN 0.119 nan 8.190 nan 0.000 0.474 224 K N 2.420 122.660 120.400 -0.266 0.000 2.324 224 K HA 0.804 5.124 4.320 -0.000 0.000 0.253 224 K C -0.572 175.868 176.600 -0.266 0.000 0.932 224 K CA -0.209 55.907 56.287 -0.286 0.000 0.799 224 K CB 2.045 34.256 32.500 -0.482 0.000 1.154 224 K HN 0.717 nan 8.250 nan 0.000 0.425 225 S N 0.139 115.756 115.700 -0.138 0.000 2.615 225 S HA 0.610 5.080 4.470 -0.000 0.000 0.269 225 S C -1.165 173.493 174.600 0.098 0.000 1.161 225 S CA -0.696 57.444 58.200 -0.100 0.000 0.817 225 S CB 0.930 64.024 63.200 -0.177 0.000 1.131 225 S HN 0.680 nan 8.310 nan 0.000 0.467 226 T N 0.264 114.880 114.554 0.103 0.000 2.912 226 T HA 0.529 4.879 4.350 -0.000 0.000 0.280 226 T C 1.243 176.055 174.700 0.186 0.000 0.989 226 T CA -0.527 61.687 62.100 0.189 0.000 0.995 226 T CB 0.775 69.706 68.868 0.104 0.000 1.077 226 T HN 0.438 nan 8.240 nan 0.000 0.531 227 I N 0.652 121.342 120.570 0.200 0.000 2.394 227 I HA -0.022 4.148 4.170 -0.000 0.000 0.251 227 I C 2.372 178.631 176.117 0.236 0.000 1.136 227 I CA 1.406 62.833 61.300 0.212 0.000 1.425 227 I CB -0.594 37.549 38.000 0.238 0.000 1.079 227 I HN 0.817 nan 8.210 nan 0.000 0.425 228 E N 0.000 120.235 120.200 0.057 0.000 2.047 228 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 228 E C 1.696 178.396 176.600 0.167 0.000 0.987 228 E CA 1.445 57.877 56.400 0.052 0.000 0.799 228 E CB -0.156 29.472 29.700 -0.120 0.000 0.752 228 E HN 0.471 nan 8.360 nan 0.000 0.449 229 D N 0.127 120.603 120.400 0.127 0.000 2.144 229 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 229 D C 1.816 178.241 176.300 0.208 0.000 0.984 229 D CA 0.926 54.999 54.000 0.121 0.000 0.834 229 D CB -0.005 40.807 40.800 0.020 0.000 0.955 229 D HN 0.073 nan 8.370 nan 0.000 0.465 230 M N 0.190 119.930 119.600 0.233 0.000 2.254 230 M HA 0.036 4.516 4.480 -0.000 0.000 0.265 230 M C 2.180 178.673 176.300 0.321 0.000 1.066 230 M CA 0.582 56.078 55.300 0.327 0.000 1.123 230 M CB -0.975 31.796 32.600 0.285 0.000 1.388 230 M HN -0.026 nan 8.290 nan 0.000 0.425 231 A N 0.011 122.995 122.820 0.274 0.000 1.933 231 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 231 A C 2.371 180.039 177.584 0.140 0.000 1.175 231 A CA 1.378 53.534 52.037 0.198 0.000 0.628 231 A CB -0.560 18.590 19.000 0.249 0.000 0.814 231 A HN 0.420 nan 8.150 nan 0.000 0.444 232 R N -1.636 118.975 120.500 0.185 0.000 2.092 232 R HA -0.152 4.188 4.340 -0.000 0.000 0.231 232 R C 2.146 178.560 176.300 0.189 0.000 1.119 232 R CA 1.332 57.521 56.100 0.147 0.000 0.970 232 R CB -0.335 30.059 30.300 0.157 0.000 0.864 232 R HN 0.876 nan 8.270 nan 0.000 0.440 233 W N 0.777 122.105 121.300 0.046 0.000 2.355 233 W HA -0.202 4.458 4.660 0.000 0.000 0.309 233 W C 1.515 177.973 176.519 -0.101 0.000 1.206 233 W CA 1.083 58.446 57.345 0.029 0.000 1.284 233 W CB -0.045 29.486 29.460 0.118 0.000 1.145 233 W HN -0.121 nan 8.180 nan 0.000 0.502 234 V N 1.467 121.317 119.914 -0.106 0.000 2.343 234 V HA -0.354 3.765 4.120 -0.000 0.000 0.247 234 V C 2.403 178.160 176.094 -0.562 0.000 1.051 234 V CA 2.326 64.344 62.300 -0.471 0.000 1.036 234 V CB -1.068 30.617 31.823 -0.231 0.000 0.654 234 V HN 0.266 nan 8.190 nan 0.000 0.451 235 Q N -0.302 119.326 119.800 -0.288 0.000 2.096 235 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 235 Q C 2.490 178.311 176.000 -0.299 0.000 0.982 235 Q CA 1.987 57.637 55.803 -0.255 0.000 0.850 235 Q CB -0.291 28.370 28.738 -0.127 0.000 0.901 235 Q HN 0.603 nan 8.270 nan 0.000 0.422 236 S N 0.889 116.425 115.700 -0.273 0.000 2.368 236 S HA -0.088 4.382 4.470 -0.000 0.000 0.225 236 S C 1.553 175.903 174.600 -0.417 0.000 1.030 236 S CA 0.959 59.005 58.200 -0.257 0.000 0.999 236 S CB -0.176 62.945 63.200 -0.131 0.000 0.844 236 S HN 0.376 nan 8.310 nan 0.000 0.459 237 N N 1.047 119.324 118.700 -0.705 0.000 2.409 237 N HA 0.128 4.868 4.740 -0.000 0.000 0.179 237 N C 1.557 176.624 175.510 -0.740 0.000 1.032 237 N CA 0.471 53.035 53.050 -0.809 0.000 0.898 237 N CB -0.116 37.664 38.487 -1.178 0.000 0.971 237 N HN 0.333 nan 8.380 nan 0.000 0.441 238 L N 0.201 120.948 121.223 -0.793 0.000 2.156 238 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 238 L C 0.975 177.686 176.870 -0.266 0.000 1.095 238 L CA 0.991 55.538 54.840 -0.488 0.000 0.770 238 L CB 0.146 41.943 42.059 -0.436 0.000 0.914 238 L HN -0.069 nan 8.230 nan 0.000 0.439 239 K N -0.634 119.612 120.400 -0.256 0.000 3.029 239 K HA 0.185 4.505 4.320 -0.000 0.000 0.169 239 K C -1.857 174.656 176.600 -0.145 0.000 1.090 239 K CA -1.140 55.046 56.287 -0.168 0.000 0.883 239 K CB 1.057 33.470 32.500 -0.145 0.000 1.080 239 K HN -0.174 nan 8.250 nan 0.000 0.613 240 P HA -0.187 nan 4.420 nan 0.000 0.219 240 P C 1.016 178.273 177.300 -0.071 0.000 1.146 240 P CA 0.996 64.033 63.100 -0.105 0.000 0.808 240 P CB 0.242 31.886 31.700 -0.093 0.000 0.779 241 L N -0.364 120.818 121.223 -0.068 0.000 2.353 241 L HA -0.114 4.226 4.340 -0.000 0.000 0.220 241 L C 1.774 178.616 176.870 -0.047 0.000 1.133 241 L CA 1.205 56.014 54.840 -0.052 0.000 0.798 241 L CB -0.884 41.145 42.059 -0.051 0.000 0.922 241 L HN -0.064 nan 8.230 nan 0.000 0.445 242 D N -0.001 120.365 120.400 -0.056 0.000 2.347 242 D HA 0.137 4.777 4.640 -0.000 0.000 0.213 242 D C 0.884 177.162 176.300 -0.037 0.000 0.985 242 D CA 0.415 54.387 54.000 -0.047 0.000 0.879 242 D CB 0.241 41.008 40.800 -0.056 0.000 0.919 242 D HN 0.227 nan 8.370 nan 0.000 0.526 243 I N 1.593 122.141 120.570 -0.037 0.000 2.452 243 I HA -0.017 4.153 4.170 -0.000 0.000 0.287 243 I C 1.023 177.131 176.117 -0.016 0.000 1.079 243 I CA -0.067 61.220 61.300 -0.022 0.000 1.387 243 I CB 0.738 38.727 38.000 -0.019 0.000 1.404 243 I HN -0.213 nan 8.210 nan 0.000 0.522 244 N N 3.550 122.243 118.700 -0.011 0.000 2.396 244 N HA -0.083 4.657 4.740 -0.000 0.000 0.180 244 N C -0.192 175.313 175.510 -0.008 0.000 1.028 244 N CA 0.622 53.666 53.050 -0.010 0.000 0.893 244 N CB 0.049 38.530 38.487 -0.010 0.000 0.967 244 N HN 0.510 nan 8.380 nan 0.000 0.440 245 E N 0.558 120.756 120.200 -0.003 0.000 2.129 245 E HA 0.197 4.547 4.350 -0.000 0.000 0.283 245 E C 1.137 177.736 176.600 -0.002 0.000 1.080 245 E CA -0.070 56.328 56.400 -0.003 0.000 0.867 245 E CB 0.634 30.334 29.700 0.000 0.000 1.056 245 E HN 0.252 nan 8.360 nan 0.000 0.404 246 K N 2.320 122.717 120.400 -0.004 0.000 2.020 246 K HA -0.218 4.102 4.320 -0.000 0.000 0.212 246 K C 2.025 178.626 176.600 0.002 0.000 1.050 246 K CA 2.453 58.738 56.287 -0.003 0.000 0.929 246 K CB -1.625 30.872 32.500 -0.004 0.000 0.714 246 K HN 0.673 nan 8.250 nan 0.000 0.443 247 T N -1.054 113.501 114.554 0.002 0.000 2.915 247 T HA -0.034 4.316 4.350 -0.000 0.000 0.269 247 T C 1.951 176.661 174.700 0.017 0.000 1.071 247 T CA 1.294 63.399 62.100 0.008 0.000 1.132 247 T CB -0.119 68.749 68.868 0.001 0.000 0.878 247 T HN 0.229 nan 8.240 nan 0.000 0.479 248 L N 1.115 122.348 121.223 0.017 0.000 2.095 248 L HA 0.160 4.500 4.340 -0.000 0.000 0.204 248 L C 2.772 179.661 176.870 0.033 0.000 1.080 248 L CA 1.729 56.590 54.840 0.035 0.000 0.759 248 L CB -1.025 41.058 42.059 0.040 0.000 0.914 248 L HN 0.399 nan 8.230 nan 0.000 0.439 249 Q N -0.805 119.003 119.800 0.013 0.000 2.096 249 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 249 Q C 2.030 178.033 176.000 0.005 0.000 0.982 249 Q CA 2.160 57.962 55.803 -0.002 0.000 0.850 249 Q CB -0.146 28.585 28.738 -0.011 0.000 0.901 249 Q HN 0.685 nan 8.270 nan 0.000 0.422 250 Q N -0.680 119.128 119.800 0.014 0.000 2.230 250 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 250 Q C 2.024 178.051 176.000 0.046 0.000 0.963 250 Q CA 0.953 56.769 55.803 0.022 0.000 0.866 250 Q CB -0.072 28.678 28.738 0.019 0.000 0.931 250 Q HN 0.543 nan 8.270 nan 0.000 0.452 251 G N 1.240 110.074 108.800 0.056 0.000 2.402 251 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 251 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 251 G C 1.425 176.392 174.900 0.112 0.000 1.162 251 G CA 0.376 45.530 45.100 0.089 0.000 0.777 251 G HN 0.203 nan 8.290 nan 0.000 0.539 252 I N 0.343 120.961 120.570 0.080 0.000 2.286 252 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 252 I C 3.025 179.176 176.117 0.057 0.000 1.115 252 I CA 1.066 62.404 61.300 0.063 0.000 1.392 252 I CB -0.173 37.809 38.000 -0.030 0.000 1.065 252 I HN 0.243 nan 8.210 nan 0.000 0.418 253 Q N 0.418 120.238 119.800 0.033 0.000 2.046 253 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 253 Q C 2.417 178.453 176.000 0.059 0.000 0.975 253 Q CA 1.363 57.178 55.803 0.019 0.000 0.836 253 Q CB -0.174 28.564 28.738 0.000 0.000 0.896 253 Q HN 0.500 nan 8.270 nan 0.000 0.428 254 L N 0.287 121.568 121.223 0.097 0.000 2.079 254 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 254 L C 2.459 179.485 176.870 0.259 0.000 1.081 254 L CA 1.032 55.970 54.840 0.163 0.000 0.752 254 L CB -0.553 41.609 42.059 0.172 0.000 0.896 254 L HN 0.225 nan 8.230 nan 0.000 0.433 255 A N -0.936 122.034 122.820 0.250 0.000 2.067 255 A HA -0.189 4.130 4.320 -0.000 0.000 0.219 255 A C 2.053 179.867 177.584 0.383 0.000 1.158 255 A CA 1.230 53.471 52.037 0.341 0.000 0.661 255 A CB -0.267 18.963 19.000 0.384 0.000 0.801 255 A HN 0.515 nan 8.150 nan 0.000 0.452 256 Q N 0.031 119.969 119.800 0.229 0.000 2.280 256 Q HA 0.187 4.527 4.340 -0.000 0.000 0.201 256 Q C -0.142 175.881 176.000 0.038 0.000 0.890 256 Q CA -0.324 55.553 55.803 0.123 0.000 0.947 256 Q CB 0.414 29.140 28.738 -0.020 0.000 1.081 256 Q HN 0.502 nan 8.270 nan 0.000 0.502 257 S N 0.933 116.642 115.700 0.015 0.000 2.585 257 S HA 0.237 4.707 4.470 -0.000 0.000 0.273 257 S C 0.067 174.475 174.600 -0.320 0.000 1.339 257 S CA -0.225 57.837 58.200 -0.231 0.000 1.028 257 S CB 0.614 63.570 63.200 -0.406 0.000 0.906 257 S HN 0.231 nan 8.310 nan 0.000 0.528 258 R N 1.366 121.638 120.500 -0.380 0.000 2.198 258 R HA 0.255 4.595 4.340 -0.000 0.000 0.339 258 R C -0.392 175.708 176.300 -0.334 0.000 1.020 258 R CA -0.146 55.829 56.100 -0.208 0.000 0.864 258 R CB 0.374 30.538 30.300 -0.227 0.000 1.105 258 R HN 0.681 nan 8.270 nan 0.000 0.463 259 Y N 0.670 120.971 120.300 0.001 0.000 2.479 259 Y HA 0.145 4.695 4.550 -0.000 0.000 0.283 259 Y C 0.115 175.735 175.900 -0.468 0.000 1.109 259 Y CA 0.329 58.275 58.100 -0.255 0.000 1.239 259 Y CB 0.531 38.849 38.460 -0.236 0.000 1.108 259 Y HN 0.461 nan 8.280 nan 0.000 0.548 260 W N -0.287 121.180 121.300 0.278 0.000 3.107 260 W HA 0.552 5.212 4.660 0.000 0.000 0.331 260 W C -0.914 175.721 176.519 0.194 0.000 1.204 260 W CA -1.018 56.450 57.345 0.205 0.000 1.184 260 W CB 1.104 30.668 29.460 0.172 0.000 1.421 260 W HN -0.453 nan 8.180 nan 0.000 0.544 261 Q N 1.311 121.320 119.800 0.348 0.000 2.353 261 Q HA 0.661 5.001 4.340 -0.000 0.000 0.268 261 Q C -1.239 174.789 176.000 0.047 0.000 1.045 261 Q CA -0.491 55.356 55.803 0.072 0.000 0.811 261 Q CB 2.454 31.161 28.738 -0.051 0.000 1.305 261 Q HN 0.445 nan 8.270 nan 0.000 0.447 262 T N 2.579 117.107 114.554 -0.043 0.000 2.965 262 T HA 0.610 4.960 4.350 -0.000 0.000 0.306 262 T C 0.366 175.013 174.700 -0.088 0.000 0.991 262 T CA 0.732 62.812 62.100 -0.034 0.000 1.001 262 T CB 0.634 69.500 68.868 -0.002 0.000 0.984 262 T HN 1.059 nan 8.240 nan 0.000 0.446 263 G N 5.465 114.213 108.800 -0.087 0.000 2.591 263 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.298 263 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.298 263 G C 0.305 175.112 174.900 -0.155 0.000 1.195 263 G CA 0.746 45.789 45.100 -0.096 0.000 0.989 263 G HN 1.026 nan 8.290 nan 0.000 0.551 264 D N 0.192 120.506 120.400 -0.144 0.000 2.388 264 D HA 0.313 4.953 4.640 -0.000 0.000 0.221 264 D C 1.017 177.181 176.300 -0.226 0.000 1.133 264 D CA 0.253 54.150 54.000 -0.171 0.000 0.831 264 D CB 0.069 40.813 40.800 -0.092 0.000 0.962 264 D HN 0.563 nan 8.370 nan 0.000 0.502 265 M N 0.784 120.236 119.600 -0.246 0.000 2.404 265 M HA 0.418 4.898 4.480 -0.000 0.000 0.338 265 M C -1.728 174.415 176.300 -0.261 0.000 1.150 265 M CA -0.671 54.554 55.300 -0.125 0.000 1.016 265 M CB 1.739 34.364 32.600 0.041 0.000 1.672 265 M HN -0.178 nan 8.290 nan 0.000 0.448 266 Y N 1.775 122.181 120.300 0.177 0.000 2.409 266 Y HA 0.401 4.951 4.550 -0.000 0.000 0.343 266 Y C -0.370 175.687 175.900 0.261 0.000 0.973 266 Y CA -0.722 57.495 58.100 0.195 0.000 1.064 266 Y CB 1.652 40.193 38.460 0.134 0.000 1.207 266 Y HN 0.556 nan 8.280 nan 0.000 0.452 267 Q N 1.846 121.925 119.800 0.465 0.000 2.278 267 Q HA 0.615 4.955 4.340 -0.000 0.000 0.257 267 Q C -0.114 176.178 176.000 0.488 0.000 0.928 267 Q CA -0.240 55.837 55.803 0.457 0.000 0.932 267 Q CB 1.306 30.325 28.738 0.469 0.000 1.221 267 Q HN 0.900 nan 8.270 nan 0.000 0.434 268 G N 2.688 111.752 108.800 0.439 0.000 2.890 268 G HA2 0.499 4.459 3.960 -0.000 0.000 0.189 268 G HA3 0.499 4.459 3.960 -0.000 0.000 0.189 268 G C -0.990 174.093 174.900 0.305 0.000 1.342 268 G CA -0.846 44.546 45.100 0.486 0.000 1.026 268 G HN 0.581 nan 8.290 nan 0.000 0.579 269 L N 1.269 122.642 121.223 0.251 0.000 2.288 269 L HA 0.457 4.797 4.340 -0.000 0.000 0.283 269 L C 1.344 178.268 176.870 0.091 0.000 1.072 269 L CA 0.481 55.341 54.840 0.033 0.000 0.862 269 L CB 0.436 42.505 42.059 0.016 0.000 1.245 269 L HN 1.058 nan 8.230 nan 0.000 0.432 270 G N 2.027 110.852 108.800 0.042 0.000 3.909 270 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 270 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 270 G C 0.005 174.963 174.900 0.095 0.000 1.404 270 G CA -0.279 44.836 45.100 0.025 0.000 0.905 270 G HN 0.496 nan 8.290 nan 0.000 0.589 271 W N 2.066 123.502 121.300 0.227 0.000 2.126 271 W HA 0.602 5.262 4.660 -0.000 0.000 0.346 271 W C 0.820 177.493 176.519 0.256 0.000 1.279 271 W CA -0.197 57.280 57.345 0.221 0.000 1.259 271 W CB 0.441 30.000 29.460 0.167 0.000 1.133 271 W HN 0.301 nan 8.180 nan 0.000 0.592 272 E N 1.167 121.734 120.200 0.611 0.000 2.288 272 E HA 0.542 4.892 4.350 -0.000 0.000 0.268 272 E C -0.918 175.972 176.600 0.483 0.000 0.885 272 E CA -1.091 55.621 56.400 0.521 0.000 0.767 272 E CB 1.827 31.837 29.700 0.515 0.000 1.220 272 E HN 0.166 nan 8.360 nan 0.000 0.427 273 M N 1.875 121.710 119.600 0.391 0.000 2.550 273 M HA 0.512 4.992 4.480 -0.000 0.000 0.292 273 M C -1.548 174.968 176.300 0.360 0.000 1.221 273 M CA -0.403 55.067 55.300 0.283 0.000 0.873 273 M CB 1.739 34.439 32.600 0.167 0.000 1.727 273 M HN 0.294 nan 8.290 nan 0.000 0.459 274 L N 0.434 121.838 121.223 0.302 0.000 2.393 274 L HA 0.546 4.886 4.340 -0.000 0.000 0.260 274 L C -0.821 176.222 176.870 0.288 0.000 1.002 274 L CA -0.666 54.358 54.840 0.307 0.000 0.818 274 L CB 2.024 44.173 42.059 0.151 0.000 1.369 274 L HN 0.575 nan 8.230 nan 0.000 0.412 275 D N 0.749 121.314 120.400 0.274 0.000 2.399 275 D HA -0.006 4.634 4.640 -0.000 0.000 0.241 275 D C -0.959 175.480 176.300 0.232 0.000 1.133 275 D CA 0.211 54.334 54.000 0.206 0.000 0.890 275 D CB 1.216 42.107 40.800 0.151 0.000 1.201 275 D HN 0.367 nan 8.370 nan 0.000 0.432 276 W N 3.949 125.302 121.300 0.087 0.000 2.520 276 W HA 0.284 4.944 4.660 -0.000 0.000 0.323 276 W C -2.316 174.250 176.519 0.078 0.000 1.062 276 W CA -1.825 55.587 57.345 0.113 0.000 1.215 276 W CB 1.270 30.813 29.460 0.138 0.000 1.340 276 W HN 0.230 nan 8.180 nan 0.000 0.516 277 P HA 0.130 nan 4.420 nan 0.000 0.272 277 P C -0.448 176.527 177.300 -0.542 0.000 1.223 277 P CA 0.059 62.381 63.100 -1.297 0.000 0.784 277 P CB 1.630 32.720 31.700 -1.018 0.000 0.923 278 V N -0.832 118.790 119.914 -0.487 0.000 2.834 278 V HA 0.494 4.614 4.120 -0.000 0.000 0.313 278 V C 0.235 176.045 176.094 -0.473 0.000 1.060 278 V CA -1.107 60.997 62.300 -0.328 0.000 0.989 278 V CB 1.443 33.076 31.823 -0.317 0.000 1.041 278 V HN 0.591 nan 8.190 nan 0.000 0.459 279 N N 3.781 122.230 118.700 -0.418 0.000 2.406 279 N HA 0.324 5.064 4.740 -0.000 0.000 0.251 279 N C -1.337 173.803 175.510 -0.617 0.000 1.069 279 N CA -2.028 50.759 53.050 -0.437 0.000 0.947 279 N CB 1.594 39.910 38.487 -0.285 0.000 1.111 279 N HN 0.556 nan 8.380 nan 0.000 0.497 280 P HA -0.154 nan 4.420 nan 0.000 0.216 280 P C 0.282 177.211 177.300 -0.618 0.000 1.153 280 P CA 1.415 63.824 63.100 -1.152 0.000 0.858 280 P CB 0.420 31.068 31.700 -1.754 0.000 0.789 281 D N -0.509 119.629 120.400 -0.436 0.000 2.182 281 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 281 D C 2.264 178.429 176.300 -0.225 0.000 0.986 281 D CA 1.279 55.117 54.000 -0.270 0.000 0.847 281 D CB -0.532 40.147 40.800 -0.201 0.000 0.942 281 D HN 0.148 nan 8.370 nan 0.000 0.467 282 S N -0.071 115.477 115.700 -0.254 0.000 2.345 282 S HA -0.109 4.361 4.470 -0.000 0.000 0.220 282 S C 1.994 176.501 174.600 -0.154 0.000 1.031 282 S CA 1.043 59.130 58.200 -0.188 0.000 0.996 282 S CB -0.259 62.825 63.200 -0.193 0.000 0.882 282 S HN 0.416 nan 8.310 nan 0.000 0.445 283 I N -0.726 119.715 120.570 -0.215 0.000 2.353 283 I HA -0.001 4.169 4.170 -0.000 0.000 0.248 283 I C 2.114 178.205 176.117 -0.043 0.000 1.119 283 I CA 1.088 62.335 61.300 -0.089 0.000 1.417 283 I CB -0.584 37.306 38.000 -0.183 0.000 1.078 283 I HN 0.238 nan 8.210 nan 0.000 0.421 284 I N 2.071 122.561 120.570 -0.134 0.000 2.113 284 I HA -0.244 3.926 4.170 -0.000 0.000 0.238 284 I C 2.335 178.405 176.117 -0.077 0.000 1.070 284 I CA 1.597 62.838 61.300 -0.099 0.000 1.332 284 I CB -0.671 37.252 38.000 -0.129 0.000 1.044 284 I HN 0.300 nan 8.210 nan 0.000 0.402 285 N N 1.104 119.751 118.700 -0.088 0.000 2.244 285 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 285 N C 1.855 177.332 175.510 -0.055 0.000 1.016 285 N CA 1.471 54.480 53.050 -0.069 0.000 0.866 285 N CB -0.638 37.804 38.487 -0.075 0.000 0.980 285 N HN 0.420 nan 8.380 nan 0.000 0.430 286 G N 0.378 109.150 108.800 -0.048 0.000 2.471 286 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 286 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 286 G C 1.565 176.454 174.900 -0.018 0.000 1.125 286 G CA 1.118 46.203 45.100 -0.025 0.000 0.775 286 G HN 0.493 nan 8.290 nan 0.000 0.548 287 S N -0.297 115.392 115.700 -0.020 0.000 2.527 287 S HA 0.014 4.484 4.470 -0.000 0.000 0.222 287 S C 0.772 175.327 174.600 -0.076 0.000 0.985 287 S CA 0.049 58.223 58.200 -0.043 0.000 0.921 287 S CB 0.007 63.177 63.200 -0.050 0.000 0.772 287 S HN 0.265 nan 8.310 nan 0.000 0.529 288 D N 2.212 122.573 120.400 -0.065 0.000 2.417 288 D HA 0.079 4.719 4.640 -0.000 0.000 0.250 288 D C 0.430 176.688 176.300 -0.070 0.000 1.166 288 D CA -0.006 53.956 54.000 -0.063 0.000 0.881 288 D CB 0.495 41.266 40.800 -0.049 0.000 1.164 288 D HN 0.070 nan 8.370 nan 0.000 0.467 289 N N 3.532 122.188 118.700 -0.074 0.000 2.334 289 N HA -0.208 4.532 4.740 -0.000 0.000 0.187 289 N C 1.655 177.133 175.510 -0.053 0.000 1.016 289 N CA 1.348 54.351 53.050 -0.078 0.000 0.879 289 N CB -0.239 38.210 38.487 -0.064 0.000 0.965 289 N HN 0.648 nan 8.380 nan 0.000 0.438 290 K N 0.902 121.279 120.400 -0.039 0.000 2.209 290 K HA -0.015 4.305 4.320 -0.000 0.000 0.204 290 K C 2.027 178.610 176.600 -0.028 0.000 1.048 290 K CA 1.013 57.285 56.287 -0.025 0.000 0.940 290 K CB -0.454 32.033 32.500 -0.021 0.000 0.729 290 K HN 0.257 nan 8.250 nan 0.000 0.451 291 I N -0.968 119.577 120.570 -0.041 0.000 2.899 291 I HA 0.081 4.251 4.170 -0.000 0.000 0.257 291 I C 2.927 179.012 176.117 -0.054 0.000 1.115 291 I CA 0.679 61.955 61.300 -0.041 0.000 1.451 291 I CB -0.009 37.967 38.000 -0.041 0.000 1.251 291 I HN 0.274 nan 8.210 nan 0.000 0.456 292 A N 1.308 124.078 122.820 -0.083 0.000 1.948 292 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 292 A C 2.070 179.556 177.584 -0.163 0.000 1.177 292 A CA 1.607 53.560 52.037 -0.141 0.000 0.636 292 A CB -0.800 18.075 19.000 -0.210 0.000 0.815 292 A HN 0.458 nan 8.150 nan 0.000 0.449 293 L N -1.121 120.037 121.223 -0.107 0.000 2.628 293 L HA 0.304 4.644 4.340 -0.000 0.000 0.229 293 L C 0.996 177.877 176.870 0.018 0.000 1.137 293 L CA -0.104 54.712 54.840 -0.040 0.000 0.909 293 L CB -0.266 41.783 42.059 -0.017 0.000 1.137 293 L HN 0.357 nan 8.230 nan 0.000 0.470 294 A N 0.658 123.479 122.820 0.000 0.000 2.304 294 A HA 0.726 5.045 4.320 -0.000 0.000 0.301 294 A C 0.401 177.987 177.584 0.003 0.000 1.132 294 A CA -0.296 51.751 52.037 0.018 0.000 0.819 294 A CB 0.625 19.626 19.000 0.001 0.000 1.094 294 A HN 0.185 nan 8.150 nan 0.000 0.492 295 A N 2.143 124.967 122.820 0.006 0.000 2.462 295 A HA 0.569 4.889 4.320 -0.000 0.000 0.243 295 A C 0.351 177.836 177.584 -0.166 0.000 1.076 295 A CA 0.005 51.972 52.037 -0.116 0.000 0.773 295 A CB 0.122 18.981 19.000 -0.236 0.000 1.010 295 A HN 0.738 nan 8.150 nan 0.000 0.493 296 R N 2.082 122.459 120.500 -0.205 0.000 2.604 296 R HA 0.442 4.782 4.340 -0.000 0.000 0.281 296 R C -3.144 173.028 176.300 -0.212 0.000 1.020 296 R CA -1.898 54.102 56.100 -0.166 0.000 0.899 296 R CB 2.150 32.398 30.300 -0.088 0.000 1.205 296 R HN 0.568 nan 8.270 nan 0.000 0.450 297 P HA 0.098 nan 4.420 nan 0.000 0.271 297 P C -0.236 177.005 177.300 -0.098 0.000 1.218 297 P CA -0.221 62.772 63.100 -0.179 0.000 0.780 297 P CB 0.928 32.549 31.700 -0.131 0.000 0.901 298 V N -2.166 117.702 119.914 -0.076 0.000 2.769 298 V HA 0.874 4.994 4.120 -0.000 0.000 0.312 298 V C -0.138 176.074 176.094 0.197 0.000 1.061 298 V CA -1.207 61.126 62.300 0.053 0.000 0.931 298 V CB 1.019 32.837 31.823 -0.008 0.000 1.010 298 V HN 0.610 nan 8.190 nan 0.000 0.433 299 K N 1.875 122.432 120.400 0.262 0.000 2.213 299 K HA 0.912 5.232 4.320 -0.000 0.000 0.270 299 K C 0.121 176.945 176.600 0.372 0.000 1.002 299 K CA -0.284 56.156 56.287 0.255 0.000 0.868 299 K CB 1.315 33.901 32.500 0.144 0.000 1.093 299 K HN 2.039 nan 8.250 nan 0.000 0.454 300 A N 1.962 124.972 122.820 0.316 0.000 2.425 300 A HA 0.624 4.944 4.320 -0.000 0.000 0.249 300 A C -0.025 177.520 177.584 -0.065 0.000 1.084 300 A CA -0.381 51.643 52.037 -0.023 0.000 0.781 300 A CB -0.255 18.666 19.000 -0.131 0.000 1.019 300 A HN 0.783 nan 8.150 nan 0.000 0.490 301 I N 2.617 123.079 120.570 -0.181 0.000 2.307 301 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 301 I C -0.204 175.817 176.117 -0.159 0.000 1.054 301 I CA 0.096 61.334 61.300 -0.103 0.000 1.218 301 I CB 1.079 39.033 38.000 -0.076 0.000 1.398 301 I HN 0.523 nan 8.210 nan 0.000 0.475 302 T N 6.642 121.136 114.554 -0.100 0.000 2.874 302 T HA 0.410 4.760 4.350 -0.000 0.000 0.321 302 T C -1.655 173.008 174.700 -0.063 0.000 1.075 302 T CA -0.940 61.108 62.100 -0.087 0.000 0.966 302 T CB 0.706 69.542 68.868 -0.053 0.000 1.001 302 T HN 0.460 nan 8.240 nan 0.000 0.476 303 P HA 0.544 nan 4.420 nan 0.000 0.281 303 P C -3.060 174.154 177.300 -0.144 0.000 1.281 303 P CA -2.167 60.876 63.100 -0.095 0.000 0.811 303 P CB 0.145 31.804 31.700 -0.068 0.000 1.154 304 P HA 0.078 nan 4.420 nan 0.000 0.266 304 P C -0.349 176.784 177.300 -0.279 0.000 1.195 304 P CA 0.441 63.338 63.100 -0.338 0.000 0.768 304 P CB -0.008 31.322 31.700 -0.616 0.000 0.838 305 T N 5.382 119.769 114.554 -0.279 0.000 2.794 305 T HA 0.262 4.612 4.350 -0.000 0.000 0.296 305 T C -2.129 172.432 174.700 -0.232 0.000 0.949 305 T CA -1.128 60.840 62.100 -0.221 0.000 1.101 305 T CB -0.004 68.729 68.868 -0.225 0.000 0.905 305 T HN 0.262 nan 8.240 nan 0.000 0.516 306 P HA 0.192 nan 4.420 nan 0.000 0.270 306 P C -0.487 176.733 177.300 -0.134 0.000 1.223 306 P CA -0.461 62.555 63.100 -0.139 0.000 0.785 306 P CB 0.303 31.945 31.700 -0.095 0.000 0.923 307 A N 2.193 124.949 122.820 -0.106 0.000 2.592 307 A HA 0.025 4.345 4.320 -0.000 0.000 0.250 307 A C 0.148 177.673 177.584 -0.099 0.000 1.017 307 A CA 0.340 52.319 52.037 -0.095 0.000 0.794 307 A CB -0.870 18.088 19.000 -0.069 0.000 0.917 307 A HN 0.362 nan 8.150 nan 0.000 0.515 308 V N 5.942 125.788 119.914 -0.113 0.000 2.385 308 V HA 0.139 4.259 4.120 -0.000 0.000 0.269 308 V C 1.534 177.583 176.094 -0.076 0.000 1.043 308 V CA -0.259 61.982 62.300 -0.098 0.000 0.906 308 V CB 0.894 32.642 31.823 -0.124 0.000 0.995 308 V HN 1.058 nan 8.190 nan 0.000 0.467 309 R N 3.503 123.968 120.500 -0.059 0.000 2.096 309 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 309 R C 1.321 177.600 176.300 -0.036 0.000 1.127 309 R CA 1.337 57.404 56.100 -0.055 0.000 0.968 309 R CB -0.031 30.240 30.300 -0.048 0.000 0.861 309 R HN 0.753 nan 8.270 nan 0.000 0.440 310 A N 1.337 124.163 122.820 0.011 0.000 3.091 310 A HA 0.272 4.592 4.320 -0.000 0.000 0.264 310 A C -0.602 177.071 177.584 0.150 0.000 1.673 310 A CA 0.020 52.117 52.037 0.101 0.000 1.362 310 A CB 0.120 19.201 19.000 0.134 0.000 1.137 310 A HN 0.047 nan 8.150 nan 0.000 0.617 311 S N 0.381 116.131 115.700 0.084 0.000 2.569 311 S HA 0.540 5.010 4.470 -0.000 0.000 0.280 311 S C -1.071 173.577 174.600 0.081 0.000 1.111 311 S CA -0.594 57.671 58.200 0.108 0.000 0.887 311 S CB 1.269 64.454 63.200 -0.026 0.000 1.095 311 S HN 0.677 nan 8.310 nan 0.000 0.476 312 W N 3.858 125.159 121.300 0.002 0.000 2.291 312 W HA 0.578 5.238 4.660 -0.000 0.000 0.312 312 W C -1.859 174.494 176.519 -0.277 0.000 1.061 312 W CA -0.534 56.759 57.345 -0.087 0.000 1.296 312 W CB 0.546 30.076 29.460 0.117 0.000 1.223 312 W HN 0.353 nan 8.180 nan 0.000 0.421 313 V N 7.525 126.955 119.914 -0.807 0.000 2.435 313 V HA 0.465 4.584 4.120 -0.000 0.000 0.290 313 V C -0.018 175.647 176.094 -0.715 0.000 1.030 313 V CA -0.343 61.462 62.300 -0.824 0.000 0.881 313 V CB 1.338 32.200 31.823 -1.601 0.000 0.983 313 V HN 0.687 nan 8.190 nan 0.000 0.445 314 H N 2.302 121.282 119.070 -0.151 0.000 2.948 314 H HA 0.893 5.449 4.556 -0.000 0.000 0.315 314 H C -1.334 174.257 175.328 0.439 0.000 1.360 314 H CA -1.290 54.798 56.048 0.066 0.000 1.125 314 H CB 2.142 31.975 29.762 0.118 0.000 1.844 314 H HN 0.446 nan 8.280 nan 0.000 0.529 315 K N 1.146 121.681 120.400 0.226 0.000 2.580 315 K HA 0.255 4.575 4.320 -0.000 0.000 0.258 315 K C -1.440 175.298 176.600 0.230 0.000 0.936 315 K CA -0.002 56.384 56.287 0.165 0.000 0.852 315 K CB 2.026 34.623 32.500 0.162 0.000 1.329 315 K HN 0.929 nan 8.250 nan 0.000 0.430 316 T N -0.028 114.663 114.554 0.229 0.000 2.934 316 T HA 0.898 5.248 4.350 -0.000 0.000 0.283 316 T C 0.290 175.103 174.700 0.187 0.000 1.005 316 T CA -0.445 61.823 62.100 0.280 0.000 1.041 316 T CB 1.671 70.603 68.868 0.106 0.000 1.042 316 T HN 0.679 nan 8.240 nan 0.000 0.505 317 G N -0.664 108.245 108.800 0.181 0.000 2.703 317 G HA2 0.759 4.719 3.960 -0.000 0.000 0.294 317 G HA3 0.759 4.719 3.960 -0.000 0.000 0.294 317 G C -1.472 173.524 174.900 0.160 0.000 1.451 317 G CA -0.450 44.755 45.100 0.175 0.000 0.869 317 G HN 1.170 nan 8.290 nan 0.000 0.516 318 A N 0.014 122.925 122.820 0.153 0.000 2.599 318 A HA 1.014 5.334 4.320 -0.000 0.000 0.290 318 A C -0.041 177.637 177.584 0.157 0.000 1.101 318 A CA 0.228 52.366 52.037 0.168 0.000 0.674 318 A CB 1.512 20.577 19.000 0.110 0.000 1.277 318 A HN 2.098 nan 8.150 nan 0.000 0.419 319 T N -3.252 111.429 114.554 0.212 0.000 2.654 319 T HA 0.612 4.962 4.350 -0.000 0.000 0.289 319 T C 1.249 176.060 174.700 0.186 0.000 1.062 319 T CA 0.257 62.459 62.100 0.172 0.000 1.041 319 T CB 0.850 69.864 68.868 0.243 0.000 1.417 319 T HN 1.732 nan 8.240 nan 0.000 0.510 320 G N -0.454 108.444 108.800 0.163 0.000 2.432 320 G HA2 0.235 4.195 3.960 -0.000 0.000 0.219 320 G HA3 0.235 4.195 3.960 -0.000 0.000 0.219 320 G C 1.084 176.082 174.900 0.164 0.000 1.135 320 G CA 0.605 45.787 45.100 0.137 0.000 0.767 320 G HN 1.218 nan 8.290 nan 0.000 0.550 321 G N -1.303 107.645 108.800 0.246 0.000 3.596 321 G HA2 0.491 4.451 3.960 -0.000 0.000 0.274 321 G HA3 0.491 4.451 3.960 -0.000 0.000 0.274 321 G C -0.455 174.438 174.900 -0.011 0.000 1.007 321 G CA -0.454 44.710 45.100 0.107 0.000 0.825 321 G HN 0.170 nan 8.290 nan 0.000 0.508 322 F N -0.428 119.656 119.950 0.223 0.000 2.620 322 F HA 0.753 5.280 4.527 -0.000 0.000 0.320 322 F C 0.358 176.302 175.800 0.240 0.000 1.069 322 F CA -1.087 57.083 58.000 0.282 0.000 0.953 322 F CB 2.442 41.629 39.000 0.311 0.000 1.322 322 F HN 0.027 nan 8.300 nan 0.000 0.479 323 G N 0.504 109.592 108.800 0.481 0.000 2.741 323 G HA2 0.568 4.528 3.960 -0.000 0.000 0.293 323 G HA3 0.568 4.528 3.960 -0.000 0.000 0.293 323 G C -1.635 173.443 174.900 0.298 0.000 1.457 323 G CA -0.690 44.578 45.100 0.281 0.000 1.098 323 G HN 0.787 nan 8.290 nan 0.000 0.536 324 S N 0.699 116.535 115.700 0.228 0.000 2.661 324 S HA 0.873 5.343 4.470 -0.000 0.000 0.285 324 S C -1.563 173.227 174.600 0.317 0.000 1.138 324 S CA -1.024 57.333 58.200 0.262 0.000 0.855 324 S CB 2.512 65.862 63.200 0.250 0.000 1.136 324 S HN 1.354 nan 8.310 nan 0.000 0.484 325 Y N -0.263 120.142 120.300 0.175 0.000 2.480 325 Y HA 0.609 5.159 4.550 -0.000 0.000 0.329 325 Y C -2.100 173.953 175.900 0.253 0.000 1.127 325 Y CA -0.812 57.407 58.100 0.198 0.000 1.037 325 Y CB 1.497 40.069 38.460 0.187 0.000 1.320 325 Y HN 0.792 nan 8.280 nan 0.000 0.446 326 V N 4.415 124.162 119.914 -0.278 0.000 2.638 326 V HA 0.979 5.099 4.120 -0.000 0.000 0.306 326 V C -0.879 174.980 176.094 -0.392 0.000 1.052 326 V CA -0.224 62.007 62.300 -0.115 0.000 0.885 326 V CB 1.503 33.514 31.823 0.312 0.000 0.999 326 V HN 1.025 nan 8.190 nan 0.000 0.424 327 A N 4.753 127.378 122.820 -0.326 0.000 2.520 327 A HA 1.026 5.346 4.320 -0.000 0.000 0.298 327 A C -1.316 176.007 177.584 -0.436 0.000 1.051 327 A CA -0.498 51.215 52.037 -0.541 0.000 0.690 327 A CB 1.757 20.352 19.000 -0.675 0.000 1.281 327 A HN 1.422 nan 8.150 nan 0.000 0.402 328 F N -0.625 118.872 119.950 -0.756 0.000 2.686 328 F HA 0.833 5.360 4.527 -0.000 0.000 0.311 328 F C -1.369 174.056 175.800 -0.625 0.000 1.128 328 F CA -1.331 56.298 58.000 -0.619 0.000 0.946 328 F CB 1.281 39.991 39.000 -0.483 0.000 1.336 328 F HN 0.327 nan 8.300 nan 0.000 0.457 329 I N 2.265 122.627 120.570 -0.346 0.000 2.466 329 I HA 0.308 4.478 4.170 -0.000 0.000 0.279 329 I C -2.147 173.841 176.117 -0.215 0.000 1.033 329 I CA -1.894 59.167 61.300 -0.398 0.000 1.123 329 I CB 1.844 39.465 38.000 -0.632 0.000 1.237 329 I HN 0.370 nan 8.210 nan 0.000 0.460 330 P HA -0.246 nan 4.420 nan 0.000 0.216 330 P C 1.330 178.558 177.300 -0.120 0.000 1.157 330 P CA 1.498 64.550 63.100 -0.079 0.000 0.880 330 P CB 0.148 31.811 31.700 -0.061 0.000 0.791 331 E N -0.274 119.849 120.200 -0.129 0.000 2.265 331 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 331 E C 1.259 177.780 176.600 -0.131 0.000 0.996 331 E CA 1.054 57.391 56.400 -0.105 0.000 0.832 331 E CB -0.561 29.105 29.700 -0.058 0.000 0.756 331 E HN 0.138 nan 8.360 nan 0.000 0.491 332 K N 0.600 120.882 120.400 -0.196 0.000 2.358 332 K HA 0.069 4.389 4.320 -0.000 0.000 0.197 332 K C -0.339 176.143 176.600 -0.197 0.000 1.025 332 K CA 0.291 56.458 56.287 -0.201 0.000 1.104 332 K CB 0.471 32.805 32.500 -0.276 0.000 0.855 332 K HN 0.219 nan 8.250 nan 0.000 0.531 333 E N 0.959 121.054 120.200 -0.175 0.000 2.328 333 E HA -0.233 4.117 4.350 -0.000 0.000 0.233 333 E C -0.577 175.923 176.600 -0.167 0.000 1.219 333 E CA 0.246 56.546 56.400 -0.167 0.000 0.717 333 E CB -1.468 28.131 29.700 -0.168 0.000 1.210 333 E HN 0.057 nan 8.360 nan 0.000 0.381 334 L N -0.273 120.855 121.223 -0.158 0.000 2.386 334 L HA 0.818 5.158 4.340 -0.000 0.000 0.271 334 L C 0.155 176.965 176.870 -0.100 0.000 0.993 334 L CA 0.208 54.980 54.840 -0.114 0.000 0.819 334 L CB 2.120 44.095 42.059 -0.141 0.000 1.294 334 L HN 0.087 nan 8.230 nan 0.000 0.414 335 G N 4.063 112.836 108.800 -0.045 0.000 2.623 335 G HA2 0.597 4.557 3.960 -0.000 0.000 0.290 335 G HA3 0.597 4.557 3.960 -0.000 0.000 0.290 335 G C -2.243 172.666 174.900 0.014 0.000 1.437 335 G CA -0.432 44.645 45.100 -0.038 0.000 0.798 335 G HN 0.796 nan 8.290 nan 0.000 0.488 336 I N -0.327 120.258 120.570 0.025 0.000 2.827 336 I HA 0.688 4.858 4.170 -0.000 0.000 0.298 336 I C -1.371 174.818 176.117 0.119 0.000 1.235 336 I CA -1.034 60.324 61.300 0.097 0.000 1.021 336 I CB 2.357 40.437 38.000 0.134 0.000 1.259 336 I HN 0.407 nan 8.210 nan 0.000 0.427 337 V N 6.878 126.899 119.914 0.177 0.000 2.638 337 V HA 0.533 4.653 4.120 -0.000 0.000 0.306 337 V C -0.611 175.621 176.094 0.229 0.000 1.052 337 V CA -0.455 61.965 62.300 0.201 0.000 0.885 337 V CB 1.909 33.861 31.823 0.215 0.000 0.999 337 V HN 0.638 nan 8.190 nan 0.000 0.424 338 M N 6.069 125.813 119.600 0.240 0.000 2.106 338 M HA 0.611 5.091 4.480 -0.000 0.000 0.288 338 M C -1.422 174.982 176.300 0.174 0.000 0.941 338 M CA -0.148 55.293 55.300 0.235 0.000 0.934 338 M CB 1.903 34.690 32.600 0.311 0.000 1.551 338 M HN 0.396 nan 8.290 nan 0.000 0.437 339 L N 2.858 124.086 121.223 0.008 0.000 2.356 339 L HA 0.997 5.337 4.340 -0.000 0.000 0.277 339 L C -0.414 176.342 176.870 -0.189 0.000 0.996 339 L CA -0.696 54.020 54.840 -0.206 0.000 0.822 339 L CB 1.855 43.460 42.059 -0.757 0.000 1.256 339 L HN 0.781 nan 8.230 nan 0.000 0.413 340 A N 1.912 124.869 122.820 0.229 0.000 2.475 340 A HA 0.616 4.936 4.320 -0.000 0.000 0.301 340 A C -0.588 177.352 177.584 0.594 0.000 1.059 340 A CA -0.763 51.523 52.037 0.416 0.000 0.710 340 A CB 1.312 20.523 19.000 0.352 0.000 1.288 340 A HN 0.751 nan 8.150 nan 0.000 0.408 341 N N 1.259 120.235 118.700 0.461 0.000 2.994 341 N HA 0.234 4.974 4.740 -0.000 0.000 0.306 341 N C -0.568 174.933 175.510 -0.014 0.000 1.348 341 N CA -0.169 52.858 53.050 -0.039 0.000 1.109 341 N CB 0.230 38.654 38.487 -0.105 0.000 1.415 341 N HN 0.617 nan 8.380 nan 0.000 0.529 342 K N 0.185 120.664 120.400 0.132 0.000 2.557 342 K HA 0.210 4.530 4.320 -0.000 0.000 0.257 342 K C -1.813 174.969 176.600 0.303 0.000 0.933 342 K CA -0.659 55.733 56.287 0.175 0.000 0.820 342 K CB 1.187 33.779 32.500 0.153 0.000 1.330 342 K HN 0.016 nan 8.250 nan 0.000 0.432 343 N N 4.096 122.943 118.700 0.244 0.000 2.415 343 N HA 0.167 4.907 4.740 -0.000 0.000 0.246 343 N C -1.518 174.138 175.510 0.244 0.000 1.078 343 N CA -0.012 53.175 53.050 0.229 0.000 0.942 343 N CB 0.069 38.650 38.487 0.157 0.000 1.140 343 N HN 0.496 nan 8.380 nan 0.000 0.501 344 Y N 1.315 121.660 120.300 0.075 0.000 2.549 344 Y HA 0.731 5.280 4.550 -0.000 0.000 0.339 344 Y C -2.495 173.426 175.900 0.035 0.000 1.053 344 Y CA -3.015 55.113 58.100 0.046 0.000 1.105 344 Y CB 0.058 38.538 38.460 0.035 0.000 1.258 344 Y HN 0.313 nan 8.280 nan 0.000 0.478 345 P HA -0.080 nan 4.420 nan 0.000 0.261 345 P C 0.103 177.280 177.300 -0.204 0.000 1.158 345 P CA 0.552 63.610 63.100 -0.070 0.000 0.758 345 P CB 0.662 32.370 31.700 0.014 0.000 0.763 346 N N 4.919 123.507 118.700 -0.187 0.000 2.061 346 N HA -0.143 4.597 4.740 -0.000 0.000 0.193 346 N C -0.827 174.570 175.510 -0.189 0.000 1.030 346 N CA 1.883 54.804 53.050 -0.216 0.000 0.856 346 N CB -1.824 36.571 38.487 -0.154 0.000 1.023 346 N HN 0.439 nan 8.380 nan 0.000 0.424 347 P HA -0.101 nan 4.420 nan 0.000 0.216 347 P C 1.077 178.350 177.300 -0.045 0.000 1.150 347 P CA 1.650 64.703 63.100 -0.079 0.000 0.843 347 P CB -0.088 31.583 31.700 -0.049 0.000 0.787 348 A N -0.044 122.773 122.820 -0.006 0.000 1.933 348 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 348 A C 2.194 179.846 177.584 0.115 0.000 1.175 348 A CA 1.533 53.624 52.037 0.091 0.000 0.628 348 A CB -0.947 18.186 19.000 0.222 0.000 0.814 348 A HN 0.140 nan 8.150 nan 0.000 0.444 349 R N -0.639 119.868 120.500 0.011 0.000 2.073 349 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 349 R C 1.950 178.181 176.300 -0.116 0.000 1.120 349 R CA 1.392 57.492 56.100 0.000 0.000 0.967 349 R CB -0.675 29.514 30.300 -0.186 0.000 0.862 349 R HN 0.365 nan 8.270 nan 0.000 0.436 350 V N 1.841 121.578 119.914 -0.296 0.000 2.427 350 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 350 V C 2.119 178.284 176.094 0.119 0.000 1.051 350 V CA 1.907 64.072 62.300 -0.225 0.000 1.048 350 V CB -0.535 31.171 31.823 -0.195 0.000 0.666 350 V HN 0.305 nan 8.190 nan 0.000 0.456 351 D N 0.593 121.044 120.400 0.086 0.000 2.104 351 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 351 D C 2.185 178.624 176.300 0.231 0.000 0.994 351 D CA 1.804 55.900 54.000 0.161 0.000 0.830 351 D CB 0.039 40.893 40.800 0.091 0.000 0.959 351 D HN 0.379 nan 8.370 nan 0.000 0.452 352 A N 0.913 123.840 122.820 0.178 0.000 1.877 352 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 352 A C 2.451 180.172 177.584 0.228 0.000 1.186 352 A CA 2.567 54.704 52.037 0.166 0.000 0.620 352 A CB -0.968 18.111 19.000 0.132 0.000 0.822 352 A HN 0.318 nan 8.150 nan 0.000 0.443 353 A N -1.130 121.892 122.820 0.338 0.000 1.902 353 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 353 A C 2.121 180.015 177.584 0.517 0.000 1.181 353 A CA 1.434 53.751 52.037 0.467 0.000 0.623 353 A CB -0.962 18.504 19.000 0.777 0.000 0.818 353 A HN 0.891 nan 8.150 nan 0.000 0.443 354 W N 0.594 122.128 121.300 0.390 0.000 2.355 354 W HA -0.209 4.450 4.660 -0.000 0.000 0.309 354 W C 1.870 178.524 176.519 0.225 0.000 1.206 354 W CA 2.011 59.536 57.345 0.301 0.000 1.284 354 W CB -0.327 29.179 29.460 0.077 0.000 1.145 354 W HN 0.372 nan 8.180 nan 0.000 0.502 355 Q N 0.752 120.550 119.800 -0.004 0.000 2.096 355 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 355 Q C 2.244 178.160 176.000 -0.140 0.000 0.982 355 Q CA 2.157 57.887 55.803 -0.122 0.000 0.850 355 Q CB -0.907 27.856 28.738 0.042 0.000 0.901 355 Q HN 0.518 nan 8.270 nan 0.000 0.422 356 I N 0.055 120.608 120.570 -0.029 0.000 2.193 356 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 356 I C 2.276 178.371 176.117 -0.037 0.000 1.084 356 I CA 0.794 62.082 61.300 -0.020 0.000 1.365 356 I CB -0.281 37.742 38.000 0.038 0.000 1.064 356 I HN 0.110 nan 8.210 nan 0.000 0.410 357 L N 0.438 121.669 121.223 0.013 0.000 2.093 357 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 357 L C 2.277 179.098 176.870 -0.081 0.000 1.085 357 L CA 1.350 56.201 54.840 0.018 0.000 0.755 357 L CB -0.796 41.345 42.059 0.137 0.000 0.904 357 L HN 0.350 nan 8.230 nan 0.000 0.435 358 N N 0.545 119.042 118.700 -0.337 0.000 2.244 358 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 358 N C 1.755 177.150 175.510 -0.191 0.000 1.016 358 N CA 1.375 54.153 53.050 -0.453 0.000 0.866 358 N CB 0.049 37.797 38.487 -1.232 0.000 0.980 358 N HN 0.265 nan 8.380 nan 0.000 0.430 359 A N 0.023 122.742 122.820 -0.167 0.000 1.930 359 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 359 A C 2.101 179.667 177.584 -0.031 0.000 1.175 359 A CA 0.877 52.865 52.037 -0.082 0.000 0.627 359 A CB -0.454 18.498 19.000 -0.080 0.000 0.815 359 A HN 0.356 nan 8.150 nan 0.000 0.443 360 L N -0.643 120.572 121.223 -0.013 0.000 2.416 360 L HA 0.021 4.361 4.340 -0.000 0.000 0.216 360 L C 1.769 178.723 176.870 0.140 0.000 1.098 360 L CA -0.088 54.788 54.840 0.061 0.000 0.840 360 L CB -0.328 41.775 42.059 0.072 0.000 0.981 360 L HN 0.525 nan 8.230 nan 0.000 0.462 361 Q N 0.000 119.848 119.800 0.080 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.853 55.803 0.084 0.000 1.022 361 Q CB 0.000 28.821 28.738 0.139 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481