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 2b20_1_A DATA FIRST_RESID 3 DATA SEQUENCE ALKVGSESWW QSKHGPEWQR LNDEXFEVTF WWRDPQGSEE YSTIKRVWVY DATA SEQUENCE ITGVTDHHQX XQPQSXQRIA GTDVWQWTTQ LNANWRGSYC FIPTERDDIF DATA SEQUENCE SAPSPDRLEL REGWRKLLPQ AIADPLNPQS WKGGLGHAVS ALEXPQAPLQ DATA SEQUENCE PGWDCPQAPE IPAKEIIWKS ERLKNSRRVW IFTTGDVTXX ERPLAVLLDG DATA SEQUENCE EFWAQSXPVW PVLTSLTHRQ QLPPAVYVLI DAIDTTHRAH ELPCNADFWL DATA SEQUENCE AVQQELLPLV KVIAPFSDRA DRTVVAGQSF GGLSALYAGL HWPERFGCVL DATA SEQUENCE SQSGSYWWPH RGGQQEGVLL EKLKAGEVSA EGLRIVLEAG IREPXIXRAN DATA SEQUENCE QALYAQLHPI KESIFWRQVD GGHDALCWRG GLXQGLIDLW QPLFH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.615 177.584 0.051 0.000 1.274 3 A CA 0.000 52.053 52.037 0.026 0.000 0.836 3 A CB 0.000 19.009 19.000 0.015 0.000 0.831 4 L N -2.210 119.048 121.223 0.058 0.000 3.186 4 L HA 0.555 4.895 4.340 -0.000 0.000 0.317 4 L C -0.364 176.535 176.870 0.049 0.000 1.296 4 L CA -0.410 54.515 54.840 0.141 0.000 0.870 4 L CB 0.190 42.319 42.059 0.117 0.000 1.302 4 L HN 0.413 nan 8.230 nan 0.000 0.590 5 K N 1.404 121.777 120.400 -0.046 0.000 2.378 5 K HA 0.309 4.629 4.320 -0.000 0.000 0.288 5 K C 0.029 176.343 176.600 -0.477 0.000 1.057 5 K CA -0.424 55.752 56.287 -0.185 0.000 0.971 5 K CB 1.622 34.050 32.500 -0.121 0.000 0.975 5 K HN 0.193 nan 8.250 nan 0.000 0.475 6 V N 3.036 122.488 119.914 -0.771 0.000 2.625 6 V HA -0.072 4.048 4.120 -0.000 0.000 0.305 6 V C 1.543 176.930 176.094 -1.178 0.000 1.055 6 V CA 1.577 62.928 62.300 -1.582 0.000 1.209 6 V CB 0.042 31.233 31.823 -1.052 0.000 0.877 6 V HN 1.179 nan 8.190 nan 0.000 0.489 7 G N 3.537 111.445 108.800 -1.487 0.000 2.199 7 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.254 7 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.254 7 G C 0.386 175.308 174.900 0.036 0.000 0.982 7 G CA 0.313 45.116 45.100 -0.494 0.000 0.632 7 G HN 1.370 nan 8.290 nan 0.000 0.529 8 S N -0.029 115.648 115.700 -0.039 0.000 2.593 8 S HA 0.530 5.000 4.470 -0.000 0.000 0.269 8 S C 1.185 175.972 174.600 0.313 0.000 1.334 8 S CA 0.763 59.036 58.200 0.122 0.000 1.015 8 S CB 1.947 65.175 63.200 0.047 0.000 0.912 8 S HN 0.560 nan 8.310 nan 0.000 0.541 9 E N 1.722 122.072 120.200 0.251 0.000 2.077 9 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 9 E C 2.030 178.757 176.600 0.210 0.000 0.989 9 E CA 2.094 58.646 56.400 0.252 0.000 0.800 9 E CB -0.707 29.070 29.700 0.127 0.000 0.746 9 E HN 0.816 nan 8.360 nan 0.000 0.452 10 S N -0.850 114.937 115.700 0.145 0.000 2.399 10 S HA -0.187 4.282 4.470 -0.000 0.000 0.231 10 S C 1.997 176.654 174.600 0.095 0.000 1.022 10 S CA 0.950 59.209 58.200 0.098 0.000 0.983 10 S CB -1.036 62.205 63.200 0.067 0.000 0.803 10 S HN 0.595 nan 8.310 nan 0.000 0.480 11 W N 1.134 122.378 121.300 -0.093 0.000 2.379 11 W HA 0.072 4.732 4.660 -0.000 0.000 0.307 11 W C 1.733 178.079 176.519 -0.289 0.000 1.200 11 W CA 0.915 58.118 57.345 -0.237 0.000 1.297 11 W CB -0.535 28.718 29.460 -0.344 0.000 1.140 11 W HN 0.283 nan 8.180 nan 0.000 0.507 12 W N 0.547 121.886 121.300 0.065 0.000 2.363 12 W HA -0.195 4.465 4.660 -0.000 0.000 0.296 12 W C 2.558 178.913 176.519 -0.273 0.000 1.212 12 W CA 1.590 58.850 57.345 -0.141 0.000 1.260 12 W CB -0.889 28.580 29.460 0.015 0.000 1.131 12 W HN -0.057 nan 8.180 nan 0.000 0.530 13 Q N -0.107 119.714 119.800 0.035 0.000 2.234 13 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 13 Q C 2.252 178.120 176.000 -0.218 0.000 0.980 13 Q CA 2.092 57.851 55.803 -0.073 0.000 0.869 13 Q CB -0.281 28.457 28.738 0.000 0.000 0.912 13 Q HN 0.253 nan 8.270 nan 0.000 0.436 14 S N -0.838 114.701 115.700 -0.268 0.000 2.593 14 S HA 0.088 4.558 4.470 -0.000 0.000 0.217 14 S C 0.338 174.690 174.600 -0.413 0.000 0.966 14 S CA -0.172 57.875 58.200 -0.255 0.000 0.914 14 S CB 0.314 63.361 63.200 -0.256 0.000 0.776 14 S HN -0.040 nan 8.310 nan 0.000 0.523 15 K N 1.903 121.946 120.400 -0.595 0.000 2.234 15 K HA 0.298 4.618 4.320 -0.000 0.000 0.282 15 K C -0.944 175.362 176.600 -0.489 0.000 1.039 15 K CA -0.088 55.886 56.287 -0.520 0.000 0.928 15 K CB 0.863 33.011 32.500 -0.587 0.000 1.039 15 K HN 0.410 nan 8.250 nan 0.000 0.470 16 H N -0.021 119.043 119.070 -0.010 0.000 2.767 16 H HA 0.289 4.844 4.556 -0.000 0.000 0.235 16 H C 0.519 175.937 175.328 0.151 0.000 1.256 16 H CA 0.264 56.352 56.048 0.067 0.000 0.957 16 H CB 0.839 30.610 29.762 0.016 0.000 2.117 16 H HN 1.013 nan 8.280 nan 0.000 0.602 17 G N 0.716 109.703 108.800 0.312 0.000 2.447 17 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.220 17 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.220 17 G C -2.718 172.412 174.900 0.382 0.000 1.261 17 G CA -1.332 44.010 45.100 0.404 0.000 1.000 17 G HN 0.094 nan 8.290 nan 0.000 0.515 18 P HA 0.475 nan 4.420 nan 0.000 0.276 18 P C -0.275 177.029 177.300 0.006 0.000 1.230 18 P CA 0.153 63.219 63.100 -0.056 0.000 0.776 18 P CB 1.094 32.428 31.700 -0.609 0.000 0.888 19 E N 1.602 121.818 120.200 0.026 0.000 2.239 19 E HA 0.660 5.010 4.350 -0.000 0.000 0.261 19 E C -1.064 175.508 176.600 -0.046 0.000 1.016 19 E CA -0.469 55.826 56.400 -0.174 0.000 0.882 19 E CB 0.939 30.671 29.700 0.053 0.000 1.190 19 E HN 0.462 nan 8.360 nan 0.000 0.415 20 W N 0.118 121.431 121.300 0.021 0.000 3.573 20 W HA 0.427 5.087 4.660 -0.000 0.000 0.306 20 W C -1.651 174.968 176.519 0.166 0.000 1.227 20 W CA -0.751 56.623 57.345 0.049 0.000 1.212 20 W CB 0.613 30.071 29.460 -0.004 0.000 1.331 20 W HN 0.091 nan 8.180 nan 0.000 0.524 21 Q N 2.942 123.000 119.800 0.429 0.000 2.333 21 Q HA 0.392 4.732 4.340 -0.000 0.000 0.267 21 Q C -0.447 175.698 176.000 0.241 0.000 1.012 21 Q CA -1.264 54.729 55.803 0.317 0.000 0.824 21 Q CB 2.672 31.494 28.738 0.139 0.000 1.290 21 Q HN 0.789 nan 8.270 nan 0.000 0.449 22 R N 2.071 122.587 120.500 0.027 0.000 2.590 22 R HA 0.083 4.423 4.340 -0.000 0.000 0.274 22 R C 0.528 176.646 176.300 -0.305 0.000 1.061 22 R CA 0.383 56.122 56.100 -0.602 0.000 1.081 22 R CB 0.264 30.159 30.300 -0.674 0.000 0.984 22 R HN 0.712 nan 8.270 nan 0.000 0.448 23 L N 2.812 123.837 121.223 -0.330 0.000 2.200 23 L HA 0.173 4.513 4.340 -0.000 0.000 0.200 23 L C 0.665 177.437 176.870 -0.163 0.000 1.072 23 L CA 0.716 55.454 54.840 -0.170 0.000 0.787 23 L CB -0.212 41.777 42.059 -0.116 0.000 0.957 23 L HN 0.886 nan 8.230 nan 0.000 0.459 24 N N -2.888 115.684 118.700 -0.212 0.000 3.517 24 N HA -0.037 4.703 4.740 -0.000 0.000 0.329 24 N C -0.180 175.232 175.510 -0.163 0.000 1.569 24 N CA -0.411 52.552 53.050 -0.145 0.000 0.852 24 N CB 1.081 39.516 38.487 -0.086 0.000 1.955 24 N HN -0.273 nan 8.380 nan 0.000 0.555 25 D N 0.002 120.350 120.400 -0.088 0.000 2.144 25 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 25 D C 0.448 176.728 176.300 -0.033 0.000 0.984 25 D CA 1.621 55.588 54.000 -0.055 0.000 0.834 25 D CB 0.229 41.016 40.800 -0.020 0.000 0.955 25 D HN 0.564 nan 8.370 nan 0.000 0.465 29 E N 2.658 122.977 120.200 0.197 0.000 2.146 29 E HA 0.676 5.026 4.350 -0.000 0.000 0.282 29 E C -1.800 174.887 176.600 0.145 0.000 0.989 29 E CA -0.461 55.997 56.400 0.097 0.000 0.799 29 E CB 1.299 31.026 29.700 0.044 0.000 1.088 29 E HN 0.389 nan 8.360 nan 0.000 0.397 30 V N 4.512 124.451 119.914 0.041 0.000 2.417 30 V HA 0.366 4.486 4.120 -0.000 0.000 0.291 30 V C -0.142 175.864 176.094 -0.146 0.000 1.024 30 V CA -0.707 61.588 62.300 -0.008 0.000 0.861 30 V CB 1.822 33.602 31.823 -0.073 0.000 0.985 30 V HN 0.776 nan 8.190 nan 0.000 0.436 31 T N 5.316 119.695 114.554 -0.292 0.000 2.855 31 T HA 0.740 5.090 4.350 -0.000 0.000 0.281 31 T C -0.848 173.388 174.700 -0.772 0.000 1.007 31 T CA -0.142 61.683 62.100 -0.458 0.000 1.009 31 T CB 0.976 69.494 68.868 -0.583 0.000 0.983 31 T HN 0.297 nan 8.240 nan 0.000 0.455 32 F N 1.296 120.964 119.950 -0.470 0.000 2.532 32 F HA 0.633 5.160 4.527 -0.000 0.000 0.321 32 F C -0.365 175.270 175.800 -0.274 0.000 1.089 32 F CA -1.224 56.700 58.000 -0.126 0.000 0.926 32 F CB 1.574 40.773 39.000 0.331 0.000 1.168 32 F HN 0.390 nan 8.300 nan 0.000 0.459 33 W N 1.404 123.039 121.300 0.558 0.000 2.864 33 W HA 0.354 5.014 4.660 -0.000 0.000 0.343 33 W C -1.548 175.302 176.519 0.552 0.000 1.109 33 W CA -1.301 56.354 57.345 0.517 0.000 1.192 33 W CB 2.142 31.878 29.460 0.459 0.000 1.426 33 W HN 0.591 nan 8.180 nan 0.000 0.529 34 W N 3.591 125.214 121.300 0.538 0.000 2.957 34 W HA 0.483 5.143 4.660 -0.000 0.000 0.336 34 W C -0.891 175.881 176.519 0.421 0.000 1.087 34 W CA -1.158 56.355 57.345 0.281 0.000 1.235 34 W CB 1.252 30.579 29.460 -0.222 0.000 1.399 34 W HN 0.226 nan 8.180 nan 0.000 0.480 35 R N 4.227 124.280 120.500 -0.746 0.000 2.254 35 R HA 0.168 4.508 4.340 -0.000 0.000 0.318 35 R C -0.700 174.724 176.300 -1.460 0.000 1.031 35 R CA -0.399 55.027 56.100 -1.123 0.000 0.905 35 R CB 0.842 30.009 30.300 -1.887 0.000 1.050 35 R HN 0.425 nan 8.270 nan 0.000 0.456 36 D N 5.831 125.754 120.400 -0.796 0.000 2.316 36 D HA 0.146 4.786 4.640 -0.000 0.000 0.245 36 D C -1.956 174.105 176.300 -0.399 0.000 1.171 36 D CA -2.132 51.458 54.000 -0.683 0.000 0.856 36 D CB 1.711 42.572 40.800 0.102 0.000 1.090 36 D HN 0.337 nan 8.370 nan 0.000 0.476 37 P HA 0.112 nan 4.420 nan 0.000 0.261 37 P C -0.150 177.109 177.300 -0.069 0.000 1.650 37 P CA 0.452 63.434 63.100 -0.196 0.000 0.846 37 P CB 0.088 31.705 31.700 -0.137 0.000 1.758 38 Q N -1.567 118.220 119.800 -0.021 0.000 2.043 38 Q HA 0.306 4.646 4.340 -0.000 0.000 0.219 38 Q C 0.830 176.893 176.000 0.105 0.000 0.762 38 Q CA 0.240 56.077 55.803 0.057 0.000 0.943 38 Q CB 1.198 30.007 28.738 0.117 0.000 1.194 38 Q HN 0.310 nan 8.270 nan 0.000 0.447 39 G N 1.884 110.734 108.800 0.083 0.000 2.545 39 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 39 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 39 G C -0.082 174.941 174.900 0.205 0.000 1.314 39 G CA -0.315 44.870 45.100 0.142 0.000 0.906 39 G HN 0.455 nan 8.290 nan 0.000 0.563 40 S N 0.363 116.213 115.700 0.251 0.000 2.587 40 S HA 0.339 4.809 4.470 -0.000 0.000 0.260 40 S C 1.752 176.396 174.600 0.073 0.000 1.353 40 S CA 1.127 59.401 58.200 0.123 0.000 0.995 40 S CB 1.206 64.451 63.200 0.074 0.000 0.912 40 S HN 1.728 nan 8.310 nan 0.000 0.568 41 E N 0.870 121.063 120.200 -0.012 0.000 2.219 41 E HA -0.288 4.062 4.350 -0.000 0.000 0.198 41 E C 1.409 177.977 176.600 -0.053 0.000 0.998 41 E CA 1.949 58.345 56.400 -0.007 0.000 0.818 41 E CB -0.671 28.991 29.700 -0.063 0.000 0.741 41 E HN 0.885 nan 8.360 nan 0.000 0.477 42 E N -0.363 119.720 120.200 -0.196 0.000 2.047 42 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 42 E C 1.730 178.113 176.600 -0.361 0.000 0.987 42 E CA 1.449 57.622 56.400 -0.377 0.000 0.799 42 E CB -0.178 29.098 29.700 -0.707 0.000 0.752 42 E HN 0.419 nan 8.360 nan 0.000 0.449 43 Y N -0.016 120.305 120.300 0.035 0.000 2.490 43 Y HA 0.133 4.683 4.550 0.000 0.000 0.285 43 Y C 1.508 177.442 175.900 0.056 0.000 1.117 43 Y CA 0.028 58.150 58.100 0.037 0.000 1.262 43 Y CB -0.050 38.426 38.460 0.027 0.000 1.043 43 Y HN -0.139 nan 8.280 nan 0.000 0.553 44 S N -0.493 115.323 115.700 0.194 0.000 2.655 44 S HA 0.211 4.681 4.470 -0.000 0.000 0.265 44 S C 1.218 175.908 174.600 0.150 0.000 1.240 44 S CA 0.299 58.615 58.200 0.192 0.000 0.986 44 S CB 1.031 64.389 63.200 0.263 0.000 0.985 44 S HN 0.319 nan 8.310 nan 0.000 0.562 45 T N 1.340 115.982 114.554 0.147 0.000 3.087 45 T HA 0.329 4.679 4.350 -0.000 0.000 0.283 45 T C -0.004 174.757 174.700 0.102 0.000 0.956 45 T CA -0.369 61.795 62.100 0.106 0.000 0.894 45 T CB -0.157 68.760 68.868 0.082 0.000 1.160 45 T HN 0.454 nan 8.240 nan 0.000 0.532 46 I N 2.569 123.222 120.570 0.138 0.000 2.474 46 I HA 0.353 4.523 4.170 -0.000 0.000 0.287 46 I C 0.888 177.084 176.117 0.133 0.000 1.048 46 I CA 0.182 61.527 61.300 0.076 0.000 1.383 46 I CB 1.522 39.540 38.000 0.029 0.000 1.412 46 I HN 0.220 nan 8.210 nan 0.000 0.531 47 K N 4.236 124.661 120.400 0.041 0.000 2.387 47 K HA 0.225 4.545 4.320 -0.000 0.000 0.197 47 K C 0.164 176.771 176.600 0.013 0.000 1.127 47 K CA 0.035 56.383 56.287 0.102 0.000 0.950 47 K CB 0.669 33.213 32.500 0.073 0.000 1.017 47 K HN 0.391 nan 8.250 nan 0.000 0.519 48 R N 1.064 121.427 120.500 -0.228 0.000 2.686 48 R HA 0.426 4.766 4.340 -0.000 0.000 0.286 48 R C -1.124 174.672 176.300 -0.839 0.000 0.969 48 R CA -0.735 55.022 56.100 -0.571 0.000 0.898 48 R CB 2.130 32.001 30.300 -0.716 0.000 1.183 48 R HN -0.191 nan 8.270 nan 0.000 0.456 49 V N 2.611 121.921 119.914 -1.006 0.000 2.376 49 V HA 0.392 4.512 4.120 -0.000 0.000 0.287 49 V C -0.716 174.934 176.094 -0.741 0.000 1.015 49 V CA -1.020 60.735 62.300 -0.908 0.000 0.834 49 V CB 1.068 32.279 31.823 -1.021 0.000 1.001 49 V HN 0.594 nan 8.190 nan 0.000 0.428 50 W N 3.031 124.195 121.300 -0.226 0.000 2.381 50 W HA 0.671 5.331 4.660 -0.000 0.000 0.329 50 W C -0.264 176.149 176.519 -0.176 0.000 1.157 50 W CA -0.738 56.531 57.345 -0.127 0.000 1.240 50 W CB 1.394 30.925 29.460 0.118 0.000 1.199 50 W HN 0.293 nan 8.180 nan 0.000 0.579 51 V N 3.269 123.098 119.914 -0.142 0.000 2.384 51 V HA 0.203 4.323 4.120 -0.000 0.000 0.287 51 V C -1.257 174.673 176.094 -0.273 0.000 1.020 51 V CA -1.076 61.025 62.300 -0.332 0.000 0.850 51 V CB 0.694 31.876 31.823 -1.069 0.000 0.987 51 V HN 0.381 nan 8.190 nan 0.000 0.436 52 Y N 6.029 126.152 120.300 -0.294 0.000 2.334 52 Y HA 0.656 5.206 4.550 -0.000 0.000 0.336 52 Y C -0.277 175.448 175.900 -0.292 0.000 0.960 52 Y CA -0.812 57.020 58.100 -0.447 0.000 1.164 52 Y CB 1.239 39.368 38.460 -0.550 0.000 1.155 52 Y HN 0.541 nan 8.280 nan 0.000 0.478 53 I N 6.845 126.965 120.570 -0.749 0.000 2.355 53 I HA 0.146 4.316 4.170 -0.000 0.000 0.288 53 I C 1.016 176.851 176.117 -0.471 0.000 0.999 53 I CA -0.381 60.691 61.300 -0.380 0.000 1.163 53 I CB 1.856 39.698 38.000 -0.263 0.000 1.316 53 I HN 0.707 nan 8.210 nan 0.000 0.454 54 T N 4.431 118.876 114.554 -0.182 0.000 2.565 54 T HA -0.223 4.127 4.350 -0.000 0.000 0.265 54 T C 1.882 176.504 174.700 -0.130 0.000 1.082 54 T CA 2.294 64.319 62.100 -0.126 0.000 1.173 54 T CB -0.307 68.558 68.868 -0.005 0.000 0.864 54 T HN 0.908 nan 8.240 nan 0.000 0.425 55 G N 0.123 108.956 108.800 0.056 0.000 2.422 55 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.218 55 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.218 55 G C 1.576 176.465 174.900 -0.017 0.000 1.140 55 G CA 0.974 46.138 45.100 0.106 0.000 0.775 55 G HN 0.479 nan 8.290 nan 0.000 0.545 56 V N 0.294 120.135 119.914 -0.121 0.000 2.502 56 V HA -0.035 4.085 4.120 -0.000 0.000 0.234 56 V C 2.931 178.813 176.094 -0.353 0.000 1.072 56 V CA 1.893 64.093 62.300 -0.166 0.000 1.094 56 V CB -1.037 30.645 31.823 -0.235 0.000 0.761 56 V HN 0.285 nan 8.190 nan 0.000 0.489 57 T N 1.833 116.044 114.554 -0.572 0.000 2.778 57 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 57 T C 1.125 175.573 174.700 -0.419 0.000 1.050 57 T CA 1.891 63.627 62.100 -0.607 0.000 1.137 57 T CB -0.606 67.737 68.868 -0.876 0.000 0.860 57 T HN 0.821 nan 8.240 nan 0.000 0.468 58 D N 0.286 120.361 120.400 -0.541 0.000 2.395 58 D HA -0.044 4.596 4.640 -0.000 0.000 0.250 58 D C 0.866 177.035 176.300 -0.219 0.000 1.203 58 D CA 0.262 54.078 54.000 -0.306 0.000 0.872 58 D CB -0.249 40.388 40.800 -0.271 0.000 0.941 58 D HN 0.408 nan 8.370 nan 0.000 0.504 59 H N -1.958 117.162 119.070 0.084 0.000 3.680 59 H HA 0.136 4.692 4.556 -0.000 0.000 0.260 59 H C 0.847 176.288 175.328 0.188 0.000 1.183 59 H CA -0.225 55.902 56.048 0.132 0.000 1.159 59 H CB 0.015 29.847 29.762 0.116 0.000 1.567 59 H HN 0.154 nan 8.280 nan 0.000 0.648 60 H N 1.510 120.658 119.070 0.131 0.000 2.568 60 H HA -0.001 4.555 4.556 -0.000 0.000 0.299 60 H C 0.539 175.915 175.328 0.081 0.000 1.033 60 H CA 2.038 58.142 56.048 0.093 0.000 1.148 60 H CB 0.247 30.051 29.762 0.070 0.000 1.446 60 H HN 0.128 nan 8.280 nan 0.000 0.638 65 P HA 0.419 nan 4.420 nan 0.000 0.292 65 P C -0.766 176.621 177.300 0.145 0.000 1.283 65 P CA -0.461 62.578 63.100 -0.103 0.000 0.835 65 P CB 1.265 32.738 31.700 -0.379 0.000 1.017 66 Q N 0.688 120.673 119.800 0.309 0.000 2.230 66 Q HA 0.324 4.664 4.340 -0.000 0.000 0.253 66 Q C 0.448 176.606 176.000 0.264 0.000 0.919 66 Q CA -0.274 55.752 55.803 0.371 0.000 0.908 66 Q CB 2.055 31.055 28.738 0.437 0.000 1.245 66 Q HN 0.529 nan 8.270 nan 0.000 0.437 70 R N 4.388 124.550 120.500 -0.563 0.000 2.390 70 R HA 0.473 4.813 4.340 -0.000 0.000 0.291 70 R C -0.601 175.475 176.300 -0.372 0.000 1.070 70 R CA -0.396 55.207 56.100 -0.828 0.000 1.014 70 R CB 0.600 30.103 30.300 -1.328 0.000 1.007 70 R HN 0.792 nan 8.270 nan 0.000 0.466 71 I N 4.275 124.693 120.570 -0.254 0.000 2.436 71 I HA 0.083 4.253 4.170 -0.000 0.000 0.289 71 I C 0.710 176.722 176.117 -0.175 0.000 1.083 71 I CA -0.194 61.012 61.300 -0.157 0.000 1.372 71 I CB 1.182 39.117 38.000 -0.108 0.000 1.408 71 I HN 0.722 nan 8.210 nan 0.000 0.516 72 A N 5.127 127.858 122.820 -0.149 0.000 2.567 72 A HA 0.338 4.658 4.320 -0.000 0.000 0.240 72 A C 1.392 178.916 177.584 -0.100 0.000 1.053 72 A CA 0.668 52.630 52.037 -0.126 0.000 0.755 72 A CB -0.313 18.628 19.000 -0.099 0.000 0.978 72 A HN 1.244 nan 8.150 nan 0.000 0.507 73 G N 1.537 110.288 108.800 -0.083 0.000 2.162 73 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.260 73 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.260 73 G C 0.567 175.451 174.900 -0.027 0.000 0.976 73 G CA 1.413 46.484 45.100 -0.047 0.000 0.655 73 G HN 2.388 nan 8.290 nan 0.000 0.533 74 T N -3.026 111.503 114.554 -0.043 0.000 2.858 74 T HA 0.599 4.949 4.350 -0.000 0.000 0.285 74 T C 0.351 175.077 174.700 0.043 0.000 1.052 74 T CA 0.426 62.524 62.100 -0.004 0.000 1.009 74 T CB 1.960 70.794 68.868 -0.057 0.000 1.241 74 T HN 0.223 nan 8.240 nan 0.000 0.542 75 D N 0.002 120.487 120.400 0.140 0.000 2.427 75 D HA 0.197 4.837 4.640 -0.000 0.000 0.224 75 D C -0.009 176.484 176.300 0.322 0.000 1.157 75 D CA -0.273 53.831 54.000 0.172 0.000 0.828 75 D CB -0.331 40.526 40.800 0.095 0.000 0.974 75 D HN 0.320 nan 8.370 nan 0.000 0.498 76 V N 0.990 121.087 119.914 0.306 0.000 2.383 76 V HA 0.321 4.441 4.120 -0.000 0.000 0.275 76 V C -0.753 175.519 176.094 0.295 0.000 1.036 76 V CA -0.741 61.864 62.300 0.509 0.000 0.889 76 V CB 0.801 32.786 31.823 0.270 0.000 0.985 76 V HN 0.064 nan 8.190 nan 0.000 0.459 77 W N 3.269 124.858 121.300 0.480 0.000 2.532 77 W HA 0.634 5.293 4.660 -0.000 0.000 0.321 77 W C 0.071 176.820 176.519 0.384 0.000 1.037 77 W CA -0.289 57.276 57.345 0.368 0.000 1.220 77 W CB 1.324 31.010 29.460 0.377 0.000 1.361 77 W HN 0.441 nan 8.180 nan 0.000 0.468 78 Q N 2.115 122.186 119.800 0.451 0.000 2.387 78 Q HA 0.537 4.877 4.340 -0.000 0.000 0.273 78 Q C -1.798 174.387 176.000 0.308 0.000 1.089 78 Q CA -0.884 55.091 55.803 0.286 0.000 0.824 78 Q CB 2.664 31.540 28.738 0.230 0.000 1.367 78 Q HN 0.654 nan 8.270 nan 0.000 0.443 79 W N 1.265 122.552 121.300 -0.022 0.000 3.571 79 W HA 0.410 5.070 4.660 -0.000 0.000 0.294 79 W C -1.785 174.764 176.519 0.049 0.000 1.257 79 W CA -0.071 57.283 57.345 0.016 0.000 1.206 79 W CB 1.636 31.098 29.460 0.003 0.000 1.325 79 W HN 0.487 nan 8.180 nan 0.000 0.546 80 T N 3.643 117.757 114.554 -0.732 0.000 2.906 80 T HA 0.770 5.120 4.350 -0.000 0.000 0.295 80 T C -0.894 173.201 174.700 -1.008 0.000 1.061 80 T CA -0.495 61.244 62.100 -0.602 0.000 1.000 80 T CB 2.112 70.777 68.868 -0.338 0.000 1.103 80 T HN 0.461 nan 8.240 nan 0.000 0.486 81 T N 0.673 114.876 114.554 -0.586 0.000 2.653 81 T HA 0.457 4.807 4.350 -0.000 0.000 0.306 81 T C -2.039 172.542 174.700 -0.198 0.000 1.426 81 T CA -0.665 61.153 62.100 -0.471 0.000 1.008 81 T CB 1.518 70.036 68.868 -0.582 0.000 1.692 81 T HN 0.588 nan 8.240 nan 0.000 0.483 82 Q N 1.020 120.735 119.800 -0.141 0.000 2.375 82 Q HA 0.778 5.118 4.340 -0.000 0.000 0.271 82 Q C -1.299 174.636 176.000 -0.110 0.000 1.074 82 Q CA -0.912 54.845 55.803 -0.076 0.000 0.808 82 Q CB 2.812 31.522 28.738 -0.047 0.000 1.327 82 Q HN 0.536 nan 8.270 nan 0.000 0.441 83 L N 1.042 122.215 121.223 -0.084 0.000 2.415 83 L HA 0.460 4.800 4.340 -0.000 0.000 0.256 83 L C -0.954 175.925 176.870 0.016 0.000 1.010 83 L CA -1.308 53.435 54.840 -0.161 0.000 0.826 83 L CB 2.032 43.853 42.059 -0.396 0.000 1.405 83 L HN 0.552 nan 8.230 nan 0.000 0.410 84 N N 0.508 119.236 118.700 0.046 0.000 2.520 84 N HA 0.306 5.046 4.740 -0.000 0.000 0.273 84 N C 0.769 176.392 175.510 0.188 0.000 1.155 84 N CA -0.085 53.045 53.050 0.134 0.000 0.967 84 N CB 1.204 39.769 38.487 0.130 0.000 1.092 84 N HN 0.762 nan 8.380 nan 0.000 0.457 85 A N 1.778 124.751 122.820 0.255 0.000 2.194 85 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 85 A C 1.204 178.840 177.584 0.086 0.000 1.162 85 A CA 1.442 53.657 52.037 0.295 0.000 0.674 85 A CB -0.646 18.607 19.000 0.423 0.000 0.789 85 A HN 0.834 nan 8.150 nan 0.000 0.470 86 N N -2.789 115.969 118.700 0.096 0.000 2.171 86 N HA 0.006 4.746 4.740 -0.000 0.000 0.212 86 N C 0.013 175.551 175.510 0.047 0.000 1.184 86 N CA -0.494 52.584 53.050 0.046 0.000 0.888 86 N CB -0.503 38.015 38.487 0.052 0.000 1.038 86 N HN 0.551 nan 8.380 nan 0.000 0.517 87 W N 3.463 124.708 121.300 -0.091 0.000 2.181 87 W HA 0.234 4.894 4.660 0.000 0.000 0.335 87 W C 0.414 176.853 176.519 -0.132 0.000 1.310 87 W CA -0.308 56.982 57.345 -0.092 0.000 1.226 87 W CB 0.655 30.069 29.460 -0.078 0.000 1.155 87 W HN 0.043 nan 8.180 nan 0.000 0.565 88 R N 5.275 125.174 120.500 -1.003 0.000 2.698 88 R HA 0.848 5.188 4.340 -0.000 0.000 0.275 88 R C -0.674 174.577 176.300 -1.747 0.000 1.001 88 R CA -0.249 55.200 56.100 -1.084 0.000 0.896 88 R CB 1.568 31.552 30.300 -0.526 0.000 1.218 88 R HN 0.797 nan 8.270 nan 0.000 0.462 89 G N 0.639 108.622 108.800 -1.360 0.000 2.364 89 G HA2 0.329 4.289 3.960 -0.000 0.000 0.286 89 G HA3 0.329 4.289 3.960 -0.000 0.000 0.286 89 G C -1.631 173.231 174.900 -0.063 0.000 1.241 89 G CA -0.153 44.513 45.100 -0.723 0.000 0.887 89 G HN 0.914 nan 8.290 nan 0.000 0.484 90 S N -1.066 114.722 115.700 0.147 0.000 2.569 90 S HA 0.854 5.324 4.470 -0.000 0.000 0.280 90 S C -0.957 173.779 174.600 0.227 0.000 1.111 90 S CA -0.624 57.681 58.200 0.175 0.000 0.887 90 S CB 1.976 65.132 63.200 -0.074 0.000 1.095 90 S HN 1.936 nan 8.310 nan 0.000 0.476 91 Y N -1.337 118.929 120.300 -0.057 0.000 2.634 91 Y HA 0.892 5.442 4.550 -0.000 0.000 0.340 91 Y C -0.351 175.394 175.900 -0.258 0.000 1.058 91 Y CA -1.675 56.352 58.100 -0.121 0.000 1.081 91 Y CB 0.541 38.960 38.460 -0.070 0.000 1.295 91 Y HN 1.248 nan 8.280 nan 0.000 0.487 92 C N -0.355 118.768 119.300 -0.296 0.000 3.291 92 C HA 0.833 5.293 4.460 -0.000 0.000 0.316 92 C C -1.267 173.528 174.990 -0.325 0.000 1.391 92 C CA -1.372 57.358 59.018 -0.480 0.000 1.394 92 C CB 0.873 28.496 27.740 -0.196 0.000 1.744 92 C HN 0.865 nan 8.230 nan 0.000 0.461 93 F N 0.413 120.285 119.950 -0.130 0.000 2.507 93 F HA 0.743 5.270 4.527 -0.000 0.000 0.327 93 F C 0.218 175.880 175.800 -0.230 0.000 1.068 93 F CA -1.056 56.819 58.000 -0.207 0.000 0.965 93 F CB 1.575 40.358 39.000 -0.362 0.000 1.192 93 F HN 0.388 nan 8.300 nan 0.000 0.476 94 I N 3.790 124.353 120.570 -0.011 0.000 2.595 94 I HA 0.229 4.399 4.170 -0.000 0.000 0.275 94 I C -2.590 173.391 176.117 -0.227 0.000 1.092 94 I CA -2.008 59.262 61.300 -0.051 0.000 1.145 94 I CB 0.960 39.049 38.000 0.149 0.000 1.276 94 I HN 0.156 nan 8.210 nan 0.000 0.497 95 P HA 0.169 nan 4.420 nan 0.000 0.276 95 P C -0.272 176.847 177.300 -0.302 0.000 1.230 95 P CA 0.048 62.762 63.100 -0.644 0.000 0.776 95 P CB 1.611 32.702 31.700 -1.015 0.000 0.888 96 T N 0.747 115.151 114.554 -0.249 0.000 2.923 96 T HA 0.227 4.577 4.350 -0.000 0.000 0.311 96 T C 0.688 175.350 174.700 -0.064 0.000 1.183 96 T CA -0.516 61.530 62.100 -0.090 0.000 1.020 96 T CB 1.186 70.069 68.868 0.025 0.000 1.165 96 T HN 0.324 nan 8.240 nan 0.000 0.482 97 E N 1.652 121.842 120.200 -0.017 0.000 2.276 97 E HA 0.108 4.458 4.350 -0.000 0.000 0.193 97 E C 1.009 177.622 176.600 0.021 0.000 0.983 97 E CA -0.223 56.182 56.400 0.009 0.000 0.861 97 E CB 0.424 30.134 29.700 0.017 0.000 0.817 97 E HN 0.410 nan 8.360 nan 0.000 0.485 98 R N 2.171 122.683 120.500 0.020 0.000 2.570 98 R HA -0.047 4.293 4.340 -0.000 0.000 0.277 98 R C -0.209 176.131 176.300 0.067 0.000 1.039 98 R CA 0.865 56.981 56.100 0.027 0.000 1.065 98 R CB 0.389 30.693 30.300 0.005 0.000 0.964 98 R HN 0.060 nan 8.270 nan 0.000 0.428 99 D N 0.672 121.112 120.400 0.066 0.000 2.539 99 D HA -0.024 4.616 4.640 -0.000 0.000 0.232 99 D C 0.041 176.403 176.300 0.104 0.000 1.256 99 D CA -0.109 53.961 54.000 0.117 0.000 0.810 99 D CB 0.372 41.230 40.800 0.097 0.000 1.090 99 D HN 0.714 nan 8.370 nan 0.000 0.519 100 D N 0.198 120.619 120.400 0.034 0.000 2.289 100 D HA -0.036 4.604 4.640 -0.000 0.000 0.207 100 D C 1.671 177.925 176.300 -0.077 0.000 0.966 100 D CA -0.057 53.938 54.000 -0.009 0.000 0.868 100 D CB -0.131 40.647 40.800 -0.037 0.000 0.943 100 D HN 0.198 nan 8.370 nan 0.000 0.514 101 I N -0.887 119.604 120.570 -0.132 0.000 3.241 101 I HA 0.009 4.179 4.170 -0.000 0.000 0.280 101 I C -0.187 175.459 176.117 -0.785 0.000 1.320 101 I CA 0.801 61.853 61.300 -0.414 0.000 1.413 101 I CB -0.112 37.629 38.000 -0.432 0.000 1.060 101 I HN -0.037 nan 8.210 nan 0.000 0.500 102 F N -1.587 118.227 119.950 -0.227 0.000 2.481 102 F HA 0.219 4.746 4.527 -0.000 0.000 0.386 102 F C 1.514 177.274 175.800 -0.068 0.000 1.454 102 F CA -0.197 57.633 58.000 -0.284 0.000 1.092 102 F CB -0.536 38.105 39.000 -0.599 0.000 1.346 102 F HN -0.217 nan 8.300 nan 0.000 0.511 103 S N 1.092 116.840 115.700 0.081 0.000 2.351 103 S HA -0.012 4.458 4.470 -0.000 0.000 0.220 103 S C 1.456 176.103 174.600 0.078 0.000 1.035 103 S CA 1.193 59.444 58.200 0.084 0.000 1.031 103 S CB -0.148 63.070 63.200 0.030 0.000 0.928 103 S HN 0.333 nan 8.310 nan 0.000 0.433 104 A N 2.696 125.545 122.820 0.048 0.000 2.473 104 A HA 0.395 4.715 4.320 -0.000 0.000 0.282 104 A C -2.399 175.219 177.584 0.056 0.000 1.163 104 A CA -1.132 50.929 52.037 0.041 0.000 0.827 104 A CB -0.178 18.833 19.000 0.018 0.000 1.098 104 A HN 0.384 nan 8.150 nan 0.000 0.515 105 P HA 0.168 nan 4.420 nan 0.000 0.230 105 P C 0.236 177.561 177.300 0.041 0.000 1.791 105 P CA 0.310 63.444 63.100 0.056 0.000 1.020 105 P CB 0.352 32.087 31.700 0.057 0.000 1.977 106 S N 0.926 116.649 115.700 0.038 0.000 3.214 106 S HA 0.357 4.827 4.470 -0.000 0.000 0.182 106 S C -1.654 172.963 174.600 0.030 0.000 0.728 106 S CA 0.065 58.284 58.200 0.031 0.000 0.814 106 S CB -1.029 62.187 63.200 0.027 0.000 0.859 106 S HN 0.273 nan 8.310 nan 0.000 0.647 107 P HA 0.417 nan 4.420 nan 0.000 0.315 107 P C -1.371 175.951 177.300 0.037 0.000 1.370 107 P CA -0.127 62.995 63.100 0.038 0.000 0.854 107 P CB 0.150 31.883 31.700 0.054 0.000 2.140 108 D N -1.947 118.476 120.400 0.039 0.000 2.601 108 D HA 0.168 4.808 4.640 -0.000 0.000 0.230 108 D C 0.272 176.605 176.300 0.056 0.000 1.106 108 D CA -0.691 53.334 54.000 0.041 0.000 0.873 108 D CB 1.649 42.466 40.800 0.028 0.000 1.515 108 D HN -0.032 nan 8.370 nan 0.000 0.468 109 R N 0.242 120.781 120.500 0.066 0.000 2.341 109 R HA -0.030 4.310 4.340 -0.000 0.000 0.213 109 R C 1.000 177.348 176.300 0.080 0.000 1.082 109 R CA 0.304 56.458 56.100 0.089 0.000 1.017 109 R CB -0.067 30.291 30.300 0.096 0.000 0.860 109 R HN 0.476 nan 8.270 nan 0.000 0.473 110 L N -0.484 120.770 121.223 0.051 0.000 2.221 110 L HA 0.042 4.382 4.340 -0.000 0.000 0.202 110 L C 2.179 179.057 176.870 0.013 0.000 1.074 110 L CA 1.012 55.872 54.840 0.033 0.000 0.795 110 L CB -1.212 40.858 42.059 0.019 0.000 0.960 110 L HN 0.182 nan 8.230 nan 0.000 0.458 111 E N 0.103 120.306 120.200 0.005 0.000 2.204 111 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 111 E C 2.096 178.673 176.600 -0.039 0.000 0.990 111 E CA 0.767 57.148 56.400 -0.031 0.000 0.821 111 E CB 0.306 29.992 29.700 -0.024 0.000 0.750 111 E HN 0.184 nan 8.360 nan 0.000 0.477 112 L N 0.647 121.897 121.223 0.045 0.000 1.971 112 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 112 L C 2.472 179.413 176.870 0.118 0.000 1.083 112 L CA 1.618 56.526 54.840 0.113 0.000 0.753 112 L CB -0.742 41.435 42.059 0.196 0.000 0.893 112 L HN -0.027 nan 8.230 nan 0.000 0.436 113 R N -0.580 120.022 120.500 0.170 0.000 2.178 113 R HA -0.296 4.044 4.340 -0.000 0.000 0.257 113 R C 2.118 178.454 176.300 0.060 0.000 1.163 113 R CA 1.814 58.008 56.100 0.157 0.000 0.981 113 R CB -0.339 30.027 30.300 0.109 0.000 0.878 113 R HN 0.366 nan 8.270 nan 0.000 0.454 114 E N -0.585 119.607 120.200 -0.013 0.000 2.007 114 E HA -0.173 4.177 4.350 -0.000 0.000 0.203 114 E C 1.956 178.447 176.600 -0.181 0.000 1.020 114 E CA 2.009 58.355 56.400 -0.090 0.000 0.845 114 E CB -0.733 28.900 29.700 -0.110 0.000 0.779 114 E HN 0.348 nan 8.360 nan 0.000 0.466 115 G N -0.482 108.112 108.800 -0.343 0.000 2.476 115 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 115 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 115 G C 1.446 176.012 174.900 -0.557 0.000 1.164 115 G CA 1.077 45.760 45.100 -0.696 0.000 0.768 115 G HN 0.442 nan 8.290 nan 0.000 0.560 116 W N 0.217 121.381 121.300 -0.225 0.000 2.355 116 W HA 0.007 4.667 4.660 0.000 0.000 0.309 116 W C 2.964 179.312 176.519 -0.284 0.000 1.206 116 W CA 0.806 58.025 57.345 -0.209 0.000 1.284 116 W CB -0.071 29.310 29.460 -0.131 0.000 1.145 116 W HN 0.102 nan 8.180 nan 0.000 0.502 117 R N 1.055 121.565 120.500 0.016 0.000 2.083 117 R HA -0.207 4.133 4.340 -0.000 0.000 0.237 117 R C 2.005 178.243 176.300 -0.104 0.000 1.137 117 R CA 1.880 57.940 56.100 -0.066 0.000 0.951 117 R CB -0.253 30.018 30.300 -0.049 0.000 0.851 117 R HN -0.077 nan 8.270 nan 0.000 0.434 118 K N -0.003 120.315 120.400 -0.137 0.000 2.074 118 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 118 K C 1.880 178.394 176.600 -0.143 0.000 1.048 118 K CA 1.551 57.745 56.287 -0.155 0.000 0.926 118 K CB -0.094 32.276 32.500 -0.217 0.000 0.713 118 K HN 0.202 nan 8.250 nan 0.000 0.444 119 L N -0.285 120.848 121.223 -0.150 0.000 2.202 119 L HA -0.008 4.332 4.340 -0.000 0.000 0.205 119 L C 1.971 178.782 176.870 -0.098 0.000 1.083 119 L CA 0.407 55.183 54.840 -0.107 0.000 0.790 119 L CB -0.195 41.813 42.059 -0.086 0.000 0.942 119 L HN 0.124 nan 8.230 nan 0.000 0.452 120 L N 0.043 121.169 121.223 -0.163 0.000 2.129 120 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 120 L C -0.262 176.498 176.870 -0.183 0.000 1.087 120 L CA 1.281 55.945 54.840 -0.293 0.000 0.757 120 L CB -1.750 39.979 42.059 -0.550 0.000 0.896 120 L HN 0.220 nan 8.230 nan 0.000 0.434 121 P HA -0.234 nan 4.420 nan 0.000 0.218 121 P C 1.226 178.491 177.300 -0.058 0.000 1.152 121 P CA 1.460 64.516 63.100 -0.074 0.000 0.857 121 P CB -0.027 31.633 31.700 -0.066 0.000 0.787 122 Q N -1.383 118.379 119.800 -0.062 0.000 2.444 122 Q HA 0.209 4.549 4.340 -0.000 0.000 0.206 122 Q C 0.663 176.631 176.000 -0.054 0.000 0.948 122 Q CA -0.281 55.492 55.803 -0.049 0.000 0.946 122 Q CB -0.081 28.631 28.738 -0.044 0.000 1.027 122 Q HN 0.163 nan 8.270 nan 0.000 0.513 123 A N 1.983 124.766 122.820 -0.063 0.000 2.498 123 A HA 0.306 4.626 4.320 -0.000 0.000 0.239 123 A C 0.249 177.801 177.584 -0.054 0.000 1.068 123 A CA -0.043 51.960 52.037 -0.056 0.000 0.766 123 A CB -0.172 18.801 19.000 -0.046 0.000 1.003 123 A HN 0.449 nan 8.150 nan 0.000 0.497 124 I N -0.800 119.725 120.570 -0.074 0.000 2.740 124 I HA 0.815 4.985 4.170 -0.000 0.000 0.303 124 I C 0.298 176.314 176.117 -0.168 0.000 1.044 124 I CA -1.090 60.165 61.300 -0.074 0.000 1.064 124 I CB 2.016 40.017 38.000 0.003 0.000 1.249 124 I HN 0.686 nan 8.210 nan 0.000 0.433 125 A N 2.679 125.376 122.820 -0.205 0.000 2.327 125 A HA 0.155 4.475 4.320 -0.000 0.000 0.255 125 A C -0.131 177.309 177.584 -0.240 0.000 1.099 125 A CA -0.179 51.650 52.037 -0.347 0.000 0.801 125 A CB 0.151 18.959 19.000 -0.320 0.000 1.062 125 A HN 0.861 nan 8.150 nan 0.000 0.496 126 D N 0.681 120.849 120.400 -0.387 0.000 2.346 126 D HA 0.159 4.799 4.640 -0.000 0.000 0.260 126 D C -1.437 174.958 176.300 0.159 0.000 1.252 126 D CA -1.645 52.347 54.000 -0.012 0.000 0.895 126 D CB 0.924 41.748 40.800 0.040 0.000 1.097 126 D HN 0.171 nan 8.370 nan 0.000 0.489 127 P HA -0.052 nan 4.420 nan 0.000 0.230 127 P C 1.230 178.632 177.300 0.169 0.000 1.158 127 P CA 0.535 63.746 63.100 0.186 0.000 0.769 127 P CB 0.400 32.212 31.700 0.187 0.000 0.807 128 L N -1.538 119.829 121.223 0.241 0.000 2.590 128 L HA 0.192 4.532 4.340 -0.000 0.000 0.227 128 L C 1.146 178.151 176.870 0.225 0.000 1.099 128 L CA -0.125 54.835 54.840 0.201 0.000 0.872 128 L CB -0.347 41.844 42.059 0.221 0.000 1.088 128 L HN -0.079 nan 8.230 nan 0.000 0.479 129 N N 1.962 120.812 118.700 0.251 0.000 2.430 129 N HA 0.077 4.817 4.740 -0.000 0.000 0.265 129 N C -1.723 173.895 175.510 0.181 0.000 1.100 129 N CA -1.513 51.687 53.050 0.250 0.000 0.961 129 N CB 1.438 40.094 38.487 0.282 0.000 1.075 129 N HN -0.072 nan 8.380 nan 0.000 0.478 130 P HA -0.081 nan 4.420 nan 0.000 0.239 130 P C -0.395 176.977 177.300 0.118 0.000 1.184 130 P CA 0.735 63.917 63.100 0.137 0.000 0.760 130 P CB 0.255 32.029 31.700 0.124 0.000 0.884 131 Q N 0.353 120.239 119.800 0.144 0.000 2.337 131 Q HA 0.477 4.817 4.340 -0.000 0.000 0.264 131 Q C -1.300 174.838 176.000 0.230 0.000 1.007 131 Q CA -0.334 55.573 55.803 0.174 0.000 0.727 131 Q CB 1.206 30.055 28.738 0.186 0.000 1.256 131 Q HN -0.189 nan 8.270 nan 0.000 0.467 132 S N 2.890 118.713 115.700 0.206 0.000 2.595 132 S HA 0.877 5.347 4.470 -0.000 0.000 0.281 132 S C -1.648 173.104 174.600 0.253 0.000 1.117 132 S CA -0.696 57.559 58.200 0.092 0.000 0.873 132 S CB 0.959 64.100 63.200 -0.098 0.000 1.108 132 S HN 0.735 nan 8.310 nan 0.000 0.477 133 W N -0.122 121.095 121.300 -0.139 0.000 2.937 133 W HA 0.611 5.271 4.660 -0.000 0.000 0.360 133 W C -1.824 174.633 176.519 -0.103 0.000 1.215 133 W CA -0.900 56.373 57.345 -0.120 0.000 1.183 133 W CB 0.441 29.836 29.460 -0.107 0.000 1.458 133 W HN 0.277 nan 8.180 nan 0.000 0.574 134 K N 2.054 122.529 120.400 0.124 0.000 2.349 134 K HA 0.326 4.646 4.320 -0.000 0.000 0.289 134 K C 0.540 177.147 176.600 0.012 0.000 1.064 134 K CA 0.304 56.585 56.287 -0.011 0.000 0.947 134 K CB 0.742 33.275 32.500 0.056 0.000 1.007 134 K HN 0.769 nan 8.250 nan 0.000 0.478 135 G N 1.656 110.262 108.800 -0.324 0.000 2.667 135 G HA2 0.112 4.072 3.960 -0.000 0.000 0.250 135 G HA3 0.112 4.072 3.960 -0.000 0.000 0.250 135 G C 1.178 175.998 174.900 -0.133 0.000 1.212 135 G CA -0.065 44.837 45.100 -0.331 0.000 0.874 135 G HN 0.650 nan 8.290 nan 0.000 0.561 136 G N -0.738 108.012 108.800 -0.082 0.000 2.448 136 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.219 136 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.219 136 G C 1.220 176.169 174.900 0.081 0.000 1.127 136 G CA 0.532 45.680 45.100 0.080 0.000 0.766 136 G HN 0.374 nan 8.290 nan 0.000 0.552 137 L N 0.761 122.006 121.223 0.037 0.000 2.685 137 L HA 0.415 4.755 4.340 -0.000 0.000 0.233 137 L C 1.828 178.767 176.870 0.115 0.000 1.173 137 L CA 0.566 55.459 54.840 0.088 0.000 0.961 137 L CB 0.015 42.173 42.059 0.166 0.000 1.217 137 L HN 0.233 nan 8.230 nan 0.000 0.478 138 G N -0.169 108.631 108.800 0.001 0.000 2.168 138 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.257 138 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.257 138 G C 0.182 175.080 174.900 -0.002 0.000 0.997 138 G CA 0.757 45.845 45.100 -0.020 0.000 0.708 138 G HN 0.695 nan 8.290 nan 0.000 0.520 139 H N -1.892 117.096 119.070 -0.137 0.000 2.622 139 H HA 0.841 5.397 4.556 -0.000 0.000 0.363 139 H C 0.291 175.489 175.328 -0.217 0.000 1.151 139 H CA -0.610 55.339 56.048 -0.165 0.000 1.184 139 H CB 1.430 31.075 29.762 -0.194 0.000 1.643 139 H HN 0.612 nan 8.280 nan 0.000 0.531 140 A N 2.166 124.818 122.820 -0.280 0.000 2.462 140 A HA 0.508 4.827 4.320 -0.000 0.000 0.243 140 A C 0.250 177.492 177.584 -0.569 0.000 1.076 140 A CA 0.198 51.997 52.037 -0.396 0.000 0.773 140 A CB -0.228 18.626 19.000 -0.243 0.000 1.010 140 A HN 0.954 nan 8.150 nan 0.000 0.493 141 V N -0.557 118.863 119.914 -0.823 0.000 3.160 141 V HA 0.913 5.033 4.120 -0.000 0.000 0.310 141 V C -0.059 175.379 176.094 -1.094 0.000 1.181 141 V CA -0.598 61.123 62.300 -0.966 0.000 1.047 141 V CB 1.567 32.752 31.823 -1.063 0.000 1.068 141 V HN 0.875 nan 8.190 nan 0.000 0.441 142 S N 0.119 115.201 115.700 -1.030 0.000 2.677 142 S HA 0.916 5.386 4.470 -0.000 0.000 0.304 142 S C 0.034 174.463 174.600 -0.284 0.000 1.108 142 S CA -0.144 57.633 58.200 -0.706 0.000 0.944 142 S CB 1.699 64.470 63.200 -0.715 0.000 1.127 142 S HN 1.557 nan 8.310 nan 0.000 0.511 143 A N 1.223 124.163 122.820 0.200 0.000 2.322 143 A HA 0.767 5.087 4.320 -0.000 0.000 0.269 143 A C -0.840 177.010 177.584 0.443 0.000 1.094 143 A CA -0.368 51.905 52.037 0.394 0.000 0.807 143 A CB 0.099 19.308 19.000 0.350 0.000 1.047 143 A HN 0.745 nan 8.150 nan 0.000 0.487 144 L N 1.677 123.097 121.223 0.328 0.000 2.639 144 L HA 0.368 4.708 4.340 -0.000 0.000 0.264 144 L C -0.723 176.206 176.870 0.098 0.000 0.948 144 L CA -0.043 54.975 54.840 0.297 0.000 0.912 144 L CB 1.663 44.019 42.059 0.494 0.000 1.294 144 L HN 0.993 nan 8.230 nan 0.000 0.412 148 Q N 0.497 120.268 119.800 -0.050 0.000 2.189 148 Q HA 0.548 4.888 4.340 -0.000 0.000 0.221 148 Q C 0.386 176.374 176.000 -0.019 0.000 0.848 148 Q CA -0.022 55.786 55.803 0.007 0.000 1.007 148 Q CB 1.301 30.078 28.738 0.064 0.000 1.116 148 Q HN 0.348 nan 8.270 nan 0.000 0.481 149 A N 3.515 126.295 122.820 -0.066 0.000 2.520 149 A HA 0.261 4.581 4.320 -0.000 0.000 0.245 149 A C -1.891 175.658 177.584 -0.059 0.000 1.072 149 A CA -0.802 51.185 52.037 -0.084 0.000 0.761 149 A CB -0.325 18.592 19.000 -0.139 0.000 1.004 149 A HN 0.047 nan 8.150 nan 0.000 0.499 150 P HA 0.067 nan 4.420 nan 0.000 0.264 150 P C 0.209 177.490 177.300 -0.031 0.000 1.183 150 P CA -0.009 63.070 63.100 -0.035 0.000 0.763 150 P CB 0.235 31.911 31.700 -0.040 0.000 0.807 151 L N 2.766 123.984 121.223 -0.008 0.000 2.593 151 L HA -0.060 4.280 4.340 -0.000 0.000 0.287 151 L C -0.132 176.749 176.870 0.018 0.000 1.243 151 L CA 0.650 55.496 54.840 0.011 0.000 0.890 151 L CB -0.092 41.980 42.059 0.021 0.000 1.134 151 L HN 0.337 nan 8.230 nan 0.000 0.502 152 Q N 6.427 126.260 119.800 0.054 0.000 2.348 152 Q HA 0.431 4.771 4.340 -0.000 0.000 0.265 152 Q C -2.331 173.794 176.000 0.207 0.000 0.998 152 Q CA -2.175 53.698 55.803 0.116 0.000 0.831 152 Q CB 1.323 30.111 28.738 0.083 0.000 1.251 152 Q HN 0.548 nan 8.270 nan 0.000 0.456 153 P HA -0.162 nan 4.420 nan 0.000 0.261 153 P C 0.813 178.122 177.300 0.015 0.000 1.173 153 P CA 1.428 64.566 63.100 0.063 0.000 0.760 153 P CB 0.761 32.476 31.700 0.025 0.000 0.783 154 G N 3.030 111.796 108.800 -0.056 0.000 2.498 154 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.229 154 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.229 154 G C 0.865 175.624 174.900 -0.234 0.000 1.156 154 G CA 0.215 45.193 45.100 -0.204 0.000 0.680 154 G HN 0.462 nan 8.290 nan 0.000 0.512 155 W N 1.164 122.438 121.300 -0.043 0.000 2.364 155 W HA 0.223 4.883 4.660 0.000 0.000 0.281 155 W C 2.058 178.559 176.519 -0.030 0.000 1.219 155 W CA 1.203 58.521 57.345 -0.045 0.000 1.220 155 W CB -0.220 29.208 29.460 -0.054 0.000 1.127 155 W HN 0.346 nan 8.180 nan 0.000 0.556 156 D N -0.929 119.560 120.400 0.148 0.000 2.355 156 D HA -0.031 4.609 4.640 -0.000 0.000 0.218 156 D C 0.053 176.385 176.300 0.054 0.000 1.004 156 D CA 0.692 54.751 54.000 0.097 0.000 0.880 156 D CB -0.026 40.820 40.800 0.076 0.000 0.911 156 D HN 0.074 nan 8.370 nan 0.000 0.528 157 C N -0.246 119.067 119.300 0.022 0.000 3.354 157 C HA 0.466 4.926 4.460 -0.000 0.000 0.314 157 C C -2.720 172.256 174.990 -0.023 0.000 1.019 157 C CA -2.054 56.969 59.018 0.010 0.000 1.293 157 C CB 0.005 27.754 27.740 0.015 0.000 1.747 157 C HN -0.041 nan 8.230 nan 0.000 0.580 158 P HA 0.167 nan 4.420 nan 0.000 0.267 158 P C -0.785 176.503 177.300 -0.020 0.000 1.201 158 P CA 1.161 64.221 63.100 -0.068 0.000 0.775 158 P CB 0.679 32.350 31.700 -0.048 0.000 0.854 159 Q N 0.045 119.834 119.800 -0.017 0.000 2.347 159 Q HA 0.559 4.899 4.340 -0.000 0.000 0.271 159 Q C -0.599 175.430 176.000 0.049 0.000 1.064 159 Q CA -1.096 54.732 55.803 0.041 0.000 0.800 159 Q CB 2.493 31.296 28.738 0.108 0.000 1.304 159 Q HN 0.510 nan 8.270 nan 0.000 0.438 160 A N 4.198 127.057 122.820 0.066 0.000 2.566 160 A HA 0.234 4.554 4.320 -0.000 0.000 0.245 160 A C -1.867 175.778 177.584 0.101 0.000 1.056 160 A CA -0.511 51.568 52.037 0.071 0.000 0.757 160 A CB -0.667 18.371 19.000 0.063 0.000 0.979 160 A HN 0.377 nan 8.150 nan 0.000 0.508 161 P HA 0.099 nan 4.420 nan 0.000 0.269 161 P C 0.156 177.536 177.300 0.133 0.000 1.209 161 P CA 0.060 63.264 63.100 0.174 0.000 0.776 161 P CB 0.720 32.580 31.700 0.268 0.000 0.876 162 E N 1.134 121.409 120.200 0.125 0.000 2.046 162 E HA -0.019 4.331 4.350 -0.000 0.000 0.190 162 E C 0.336 176.972 176.600 0.060 0.000 0.982 162 E CA 0.996 57.447 56.400 0.086 0.000 0.800 162 E CB -0.130 29.617 29.700 0.079 0.000 0.756 162 E HN 0.462 nan 8.360 nan 0.000 0.449 163 I N 1.985 122.589 120.570 0.057 0.000 2.362 163 I HA 0.268 4.438 4.170 -0.000 0.000 0.289 163 I C -2.356 173.819 176.117 0.098 0.000 0.994 163 I CA -2.608 58.717 61.300 0.041 0.000 1.158 163 I CB 1.512 39.510 38.000 -0.002 0.000 1.315 163 I HN -0.164 nan 8.210 nan 0.000 0.451 164 P HA 0.174 nan 4.420 nan 0.000 0.272 164 P C -0.500 176.755 177.300 -0.075 0.000 1.240 164 P CA -0.429 62.633 63.100 -0.062 0.000 0.791 164 P CB 0.560 32.208 31.700 -0.087 0.000 0.978 165 A N 1.359 123.952 122.820 -0.377 0.000 2.425 165 A HA 0.346 4.666 4.320 -0.000 0.000 0.249 165 A C 0.236 177.760 177.584 -0.101 0.000 1.084 165 A CA 0.073 51.924 52.037 -0.311 0.000 0.781 165 A CB -0.256 18.071 19.000 -1.122 0.000 1.019 165 A HN 0.415 nan 8.150 nan 0.000 0.490 166 K N 1.576 121.980 120.400 0.006 0.000 2.213 166 K HA 0.283 4.603 4.320 -0.000 0.000 0.270 166 K C -0.282 176.296 176.600 -0.038 0.000 1.002 166 K CA -0.057 56.228 56.287 -0.003 0.000 0.868 166 K CB 0.854 33.352 32.500 -0.003 0.000 1.093 166 K HN 0.706 nan 8.250 nan 0.000 0.454 167 E N 5.559 125.676 120.200 -0.138 0.000 2.200 167 E HA 0.262 4.612 4.350 -0.000 0.000 0.283 167 E C -0.525 175.918 176.600 -0.261 0.000 1.015 167 E CA -0.615 55.532 56.400 -0.421 0.000 0.819 167 E CB 0.511 29.924 29.700 -0.478 0.000 1.081 167 E HN 0.674 nan 8.360 nan 0.000 0.397 168 I N 1.009 121.428 120.570 -0.252 0.000 2.957 168 I HA 0.519 4.688 4.170 -0.000 0.000 0.310 168 I C -0.704 175.335 176.117 -0.129 0.000 1.063 168 I CA -1.273 59.947 61.300 -0.133 0.000 1.033 168 I CB 1.784 39.750 38.000 -0.057 0.000 1.230 168 I HN 0.368 nan 8.210 nan 0.000 0.447 169 I N 3.354 123.891 120.570 -0.055 0.000 2.307 169 I HA 0.176 4.346 4.170 -0.000 0.000 0.289 169 I C -1.131 175.043 176.117 0.096 0.000 1.021 169 I CA -0.154 61.135 61.300 -0.018 0.000 1.224 169 I CB 0.984 38.960 38.000 -0.040 0.000 1.376 169 I HN 0.593 nan 8.210 nan 0.000 0.470 170 W N 8.832 130.083 121.300 -0.081 0.000 2.387 170 W HA 0.275 4.935 4.660 -0.000 0.000 0.310 170 W C -0.182 176.310 176.519 -0.045 0.000 1.181 170 W CA -1.371 55.941 57.345 -0.055 0.000 1.333 170 W CB 0.502 29.933 29.460 -0.049 0.000 1.286 170 W HN 0.323 nan 8.180 nan 0.000 0.455 171 K N 5.534 125.914 120.400 -0.033 0.000 2.244 171 K HA 0.181 4.501 4.320 -0.000 0.000 0.263 171 K C 0.204 176.599 176.600 -0.342 0.000 1.103 171 K CA -0.168 55.990 56.287 -0.215 0.000 0.966 171 K CB 0.302 32.763 32.500 -0.065 0.000 1.429 171 K HN 0.381 nan 8.250 nan 0.000 0.434 172 S N 2.345 117.584 115.700 -0.769 0.000 2.531 172 S HA -0.007 4.463 4.470 -0.000 0.000 0.279 172 S C 1.081 175.547 174.600 -0.223 0.000 1.305 172 S CA -0.178 57.662 58.200 -0.599 0.000 1.058 172 S CB 1.192 63.808 63.200 -0.974 0.000 0.899 172 S HN 0.766 nan 8.310 nan 0.000 0.493 173 E N 3.970 124.136 120.200 -0.057 0.000 2.051 173 E HA -0.108 4.242 4.350 -0.000 0.000 0.189 173 E C 2.187 178.778 176.600 -0.016 0.000 0.979 173 E CA 0.599 56.987 56.400 -0.021 0.000 0.803 173 E CB -0.132 29.583 29.700 0.026 0.000 0.761 173 E HN 0.830 nan 8.360 nan 0.000 0.451 174 R N 0.223 120.726 120.500 0.005 0.000 2.070 174 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 174 R C 1.974 178.277 176.300 0.006 0.000 1.138 174 R CA 1.314 57.428 56.100 0.023 0.000 0.936 174 R CB -0.267 30.065 30.300 0.054 0.000 0.839 174 R HN 0.185 nan 8.270 nan 0.000 0.429 175 L N 1.630 122.829 121.223 -0.039 0.000 2.549 175 L HA 0.040 4.380 4.340 -0.000 0.000 0.229 175 L C 0.566 177.412 176.870 -0.040 0.000 1.158 175 L CA 1.247 56.071 54.840 -0.028 0.000 0.842 175 L CB -0.883 41.125 42.059 -0.084 0.000 0.952 175 L HN 0.256 nan 8.230 nan 0.000 0.452 176 K N 0.979 121.337 120.400 -0.070 0.000 3.071 176 K HA -0.238 4.082 4.320 -0.000 0.000 0.262 176 K C 0.094 176.653 176.600 -0.069 0.000 0.977 176 K CA 0.886 57.138 56.287 -0.058 0.000 0.721 176 K CB -1.521 30.969 32.500 -0.016 0.000 1.293 176 K HN 0.832 nan 8.250 nan 0.000 0.475 177 N N -2.406 116.209 118.700 -0.143 0.000 2.972 177 N HA 0.536 5.276 4.740 -0.000 0.000 0.262 177 N C -1.224 174.128 175.510 -0.263 0.000 1.478 177 N CA -1.185 51.770 53.050 -0.158 0.000 0.841 177 N CB 1.902 40.316 38.487 -0.122 0.000 1.512 177 N HN -0.093 nan 8.380 nan 0.000 0.548 178 S N -0.544 115.021 115.700 -0.224 0.000 2.542 178 S HA 0.635 5.105 4.470 -0.000 0.000 0.293 178 S C -0.905 173.586 174.600 -0.182 0.000 1.089 178 S CA -0.932 57.135 58.200 -0.221 0.000 0.961 178 S CB 1.587 64.707 63.200 -0.133 0.000 1.062 178 S HN 0.652 nan 8.310 nan 0.000 0.483 179 R N 1.067 121.490 120.500 -0.128 0.000 2.764 179 R HA 0.529 4.869 4.340 -0.000 0.000 0.270 179 R C -1.427 174.870 176.300 -0.006 0.000 1.014 179 R CA -1.067 55.005 56.100 -0.046 0.000 0.904 179 R CB 1.147 31.448 30.300 0.003 0.000 1.236 179 R HN 0.519 nan 8.270 nan 0.000 0.466 180 R N 0.463 120.933 120.500 -0.050 0.000 2.539 180 R HA 0.504 4.844 4.340 -0.000 0.000 0.275 180 R C -0.554 175.639 176.300 -0.178 0.000 1.077 180 R CA -0.488 55.454 56.100 -0.264 0.000 1.097 180 R CB 1.293 31.248 30.300 -0.575 0.000 1.018 180 R HN 0.332 nan 8.270 nan 0.000 0.483 181 V N 2.538 122.275 119.914 -0.294 0.000 2.760 181 V HA 0.339 4.459 4.120 -0.000 0.000 0.309 181 V C -0.813 175.195 176.094 -0.143 0.000 1.077 181 V CA -0.877 61.409 62.300 -0.024 0.000 0.910 181 V CB 2.001 33.869 31.823 0.075 0.000 1.008 181 V HN 0.679 nan 8.190 nan 0.000 0.424 182 W N 4.997 126.422 121.300 0.207 0.000 2.478 182 W HA 0.637 5.297 4.660 -0.000 0.000 0.318 182 W C -0.665 175.983 176.519 0.216 0.000 1.062 182 W CA -0.581 56.895 57.345 0.218 0.000 1.210 182 W CB 1.796 31.490 29.460 0.390 0.000 1.325 182 W HN 0.391 nan 8.180 nan 0.000 0.496 183 I N 4.249 125.006 120.570 0.311 0.000 2.330 183 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 183 I C -0.738 175.551 176.117 0.287 0.000 1.001 183 I CA -0.615 60.841 61.300 0.260 0.000 1.193 183 I CB 0.985 39.066 38.000 0.135 0.000 1.345 183 I HN 0.203 nan 8.210 nan 0.000 0.461 184 F N 6.221 126.275 119.950 0.174 0.000 2.547 184 F HA 0.623 5.150 4.527 -0.000 0.000 0.316 184 F C -0.116 175.813 175.800 0.216 0.000 1.121 184 F CA -0.292 57.767 58.000 0.099 0.000 0.911 184 F CB 1.822 40.896 39.000 0.123 0.000 1.179 184 F HN 0.487 nan 8.300 nan 0.000 0.443 185 T N 0.709 114.909 114.554 -0.591 0.000 2.930 185 T HA 0.382 4.732 4.350 -0.000 0.000 0.290 185 T C -0.235 174.051 174.700 -0.689 0.000 1.052 185 T CA -0.510 61.323 62.100 -0.445 0.000 1.017 185 T CB 1.820 70.570 68.868 -0.197 0.000 1.137 185 T HN 0.560 nan 8.240 nan 0.000 0.511 186 T N -0.125 114.224 114.554 -0.342 0.000 3.058 186 T HA 0.574 4.924 4.350 -0.000 0.000 0.278 186 T C 0.277 174.901 174.700 -0.127 0.000 0.974 186 T CA 0.367 62.309 62.100 -0.264 0.000 0.893 186 T CB -0.396 68.424 68.868 -0.079 0.000 1.138 186 T HN 1.240 nan 8.240 nan 0.000 0.529 187 G N -0.529 108.202 108.800 -0.115 0.000 2.506 187 G HA2 0.401 4.361 3.960 -0.000 0.000 0.292 187 G HA3 0.401 4.361 3.960 -0.000 0.000 0.292 187 G C -0.704 174.154 174.900 -0.069 0.000 1.425 187 G CA -0.379 44.681 45.100 -0.068 0.000 0.788 187 G HN -0.082 nan 8.290 nan 0.000 0.490 188 D N -1.351 119.019 120.400 -0.049 0.000 2.146 188 D HA 0.164 4.804 4.640 -0.000 0.000 0.209 188 D C 1.547 177.819 176.300 -0.047 0.000 0.973 188 D CA 1.884 55.858 54.000 -0.044 0.000 0.860 188 D CB 0.875 41.657 40.800 -0.031 0.000 1.015 188 D HN 0.338 nan 8.370 nan 0.000 0.465 189 V N -1.667 118.218 119.914 -0.049 0.000 6.171 189 V HA 0.153 4.273 4.120 -0.000 0.000 0.072 189 V C -0.769 175.292 176.094 -0.055 0.000 0.863 189 V CA 0.935 63.205 62.300 -0.049 0.000 1.093 189 V CB 0.691 32.489 31.823 -0.041 0.000 1.904 189 V HN 0.319 nan 8.190 nan 0.000 0.585 194 R N 1.492 121.930 120.500 -0.104 0.000 2.570 194 R HA 0.214 4.554 4.340 -0.000 0.000 0.277 194 R C -2.028 174.189 176.300 -0.138 0.000 1.039 194 R CA -0.815 55.186 56.100 -0.165 0.000 1.065 194 R CB -0.358 29.843 30.300 -0.165 0.000 0.964 194 R HN 0.063 nan 8.270 nan 0.000 0.428 195 P HA -0.017 nan 4.420 nan 0.000 0.272 195 P C -0.882 176.345 177.300 -0.122 0.000 1.223 195 P CA -0.409 62.581 63.100 -0.184 0.000 0.784 195 P CB 0.685 32.121 31.700 -0.440 0.000 0.923 196 L N 2.159 123.372 121.223 -0.016 0.000 2.307 196 L HA 0.652 4.992 4.340 -0.000 0.000 0.282 196 L C -0.663 176.210 176.870 0.004 0.000 1.051 196 L CA -0.578 54.161 54.840 -0.169 0.000 0.804 196 L CB 0.677 42.442 42.059 -0.490 0.000 1.197 196 L HN 0.473 nan 8.230 nan 0.000 0.431 197 A N 5.224 128.003 122.820 -0.068 0.000 2.335 197 A HA 0.641 4.961 4.320 -0.000 0.000 0.304 197 A C -1.083 176.531 177.584 0.050 0.000 1.118 197 A CA -0.366 51.682 52.037 0.019 0.000 0.757 197 A CB 1.392 20.409 19.000 0.028 0.000 1.188 197 A HN 1.111 nan 8.150 nan 0.000 0.460 198 V N 3.446 123.405 119.914 0.075 0.000 2.427 198 V HA 0.787 4.907 4.120 -0.000 0.000 0.286 198 V C -1.218 174.954 176.094 0.129 0.000 1.034 198 V CA -0.571 61.802 62.300 0.121 0.000 0.893 198 V CB 0.875 32.778 31.823 0.134 0.000 0.982 198 V HN 0.656 nan 8.190 nan 0.000 0.452 199 L N 6.767 128.088 121.223 0.164 0.000 2.317 199 L HA 0.616 4.956 4.340 -0.000 0.000 0.281 199 L C -0.021 176.968 176.870 0.198 0.000 1.024 199 L CA -0.093 54.824 54.840 0.129 0.000 0.810 199 L CB 1.609 43.724 42.059 0.092 0.000 1.240 199 L HN 0.653 nan 8.230 nan 0.000 0.427 200 L N 2.604 123.936 121.223 0.181 0.000 2.399 200 L HA 0.451 4.791 4.340 -0.000 0.000 0.265 200 L C -0.042 176.971 176.870 0.238 0.000 1.089 200 L CA -0.715 54.242 54.840 0.195 0.000 0.802 200 L CB 0.622 42.764 42.059 0.139 0.000 1.180 200 L HN 0.622 nan 8.230 nan 0.000 0.454 201 D N 1.601 122.115 120.400 0.190 0.000 2.718 201 D HA -0.153 4.487 4.640 -0.000 0.000 0.242 201 D C 1.117 177.564 176.300 0.245 0.000 1.123 201 D CA 0.881 54.984 54.000 0.172 0.000 0.690 201 D CB -0.844 40.007 40.800 0.086 0.000 1.059 201 D HN 0.987 nan 8.370 nan 0.000 0.429 202 G N 0.690 109.655 108.800 0.275 0.000 2.418 202 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 202 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 202 G C 1.467 176.321 174.900 -0.076 0.000 1.158 202 G CA 1.322 46.563 45.100 0.235 0.000 0.771 202 G HN 0.396 nan 8.290 nan 0.000 0.545 203 E N 0.347 120.577 120.200 0.050 0.000 2.086 203 E HA -0.206 4.144 4.350 -0.000 0.000 0.200 203 E C 1.957 178.402 176.600 -0.257 0.000 1.012 203 E CA 1.149 57.488 56.400 -0.102 0.000 0.812 203 E CB -0.753 29.020 29.700 0.122 0.000 0.743 203 E HN 0.487 nan 8.360 nan 0.000 0.453 204 F N -0.286 119.470 119.950 -0.323 0.000 2.102 204 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 204 F C 1.467 176.869 175.800 -0.664 0.000 1.105 204 F CA 1.438 59.118 58.000 -0.532 0.000 1.239 204 F CB -0.186 38.386 39.000 -0.713 0.000 0.991 204 F HN -0.003 nan 8.300 nan 0.000 0.474 205 W N -0.455 120.775 121.300 -0.117 0.000 2.937 205 W HA 0.213 4.873 4.660 -0.000 0.000 0.245 205 W C 2.088 178.152 176.519 -0.759 0.000 1.306 205 W CA 0.560 57.709 57.345 -0.326 0.000 1.470 205 W CB -0.474 28.877 29.460 -0.182 0.000 1.132 205 W HN 0.062 nan 8.180 nan 0.000 0.675 206 A N -0.547 121.845 122.820 -0.713 0.000 2.063 206 A HA 0.032 4.352 4.320 -0.000 0.000 0.211 206 A C 1.834 179.020 177.584 -0.664 0.000 1.177 206 A CA 0.865 52.294 52.037 -1.013 0.000 0.759 206 A CB 0.123 18.156 19.000 -1.611 0.000 0.857 206 A HN 0.322 nan 8.150 nan 0.000 0.468 207 Q N -1.220 118.236 119.800 -0.574 0.000 2.577 207 Q HA 0.203 4.543 4.340 -0.000 0.000 0.242 207 Q C 0.432 176.174 176.000 -0.431 0.000 0.818 207 Q CA 0.175 55.755 55.803 -0.371 0.000 0.962 207 Q CB 0.620 29.215 28.738 -0.239 0.000 1.272 207 Q HN 0.475 nan 8.270 nan 0.000 0.593 211 V N 1.312 120.737 119.914 -0.815 0.000 3.623 211 V HA -0.002 4.118 4.120 -0.000 0.000 0.271 211 V C 0.953 176.647 176.094 -0.666 0.000 1.248 211 V CA 0.531 62.464 62.300 -0.612 0.000 1.156 211 V CB -0.464 31.074 31.823 -0.474 0.000 0.870 211 V HN 0.647 nan 8.190 nan 0.000 0.453 212 W N 1.384 122.398 121.300 -0.477 0.000 2.353 212 W HA -0.048 4.612 4.660 -0.000 0.000 0.319 212 W C 0.107 176.409 176.519 -0.363 0.000 1.207 212 W CA 1.416 58.361 57.345 -0.666 0.000 1.291 212 W CB -2.224 26.731 29.460 -0.841 0.000 1.159 212 W HN 0.223 nan 8.180 nan 0.000 0.478 213 P HA -0.067 nan 4.420 nan 0.000 0.226 213 P C 1.473 178.647 177.300 -0.210 0.000 1.153 213 P CA 1.220 64.267 63.100 -0.089 0.000 0.777 213 P CB -0.062 31.600 31.700 -0.065 0.000 0.794 214 V N 0.438 120.111 119.914 -0.401 0.000 2.302 214 V HA -0.176 3.944 4.120 -0.000 0.000 0.243 214 V C 2.765 178.623 176.094 -0.393 0.000 1.036 214 V CA 1.352 63.297 62.300 -0.591 0.000 1.020 214 V CB -1.195 29.864 31.823 -1.273 0.000 0.657 214 V HN -0.014 nan 8.190 nan 0.000 0.453 215 L N -0.092 120.939 121.223 -0.321 0.000 2.081 215 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 215 L C 2.601 179.416 176.870 -0.091 0.000 1.080 215 L CA 2.055 56.793 54.840 -0.170 0.000 0.754 215 L CB -1.107 40.847 42.059 -0.175 0.000 0.893 215 L HN 0.391 nan 8.230 nan 0.000 0.433 216 T N -1.354 113.152 114.554 -0.080 0.000 2.643 216 T HA -0.236 4.114 4.350 -0.000 0.000 0.264 216 T C 2.126 176.628 174.700 -0.331 0.000 1.045 216 T CA 1.706 63.686 62.100 -0.200 0.000 1.155 216 T CB -0.312 68.487 68.868 -0.115 0.000 0.863 216 T HN 0.296 nan 8.240 nan 0.000 0.420 217 S N 0.781 116.366 115.700 -0.192 0.000 2.381 217 S HA -0.147 4.323 4.470 -0.000 0.000 0.230 217 S C 1.969 176.528 174.600 -0.068 0.000 1.052 217 S CA 1.385 59.527 58.200 -0.098 0.000 1.068 217 S CB -0.594 62.543 63.200 -0.105 0.000 0.918 217 S HN 0.416 nan 8.310 nan 0.000 0.448 218 L N 0.206 121.374 121.223 -0.092 0.000 2.217 218 L HA -0.032 4.308 4.340 -0.000 0.000 0.211 218 L C 2.593 179.469 176.870 0.009 0.000 1.107 218 L CA 1.313 56.131 54.840 -0.037 0.000 0.783 218 L CB -0.699 41.335 42.059 -0.040 0.000 0.919 218 L HN 0.357 nan 8.230 nan 0.000 0.442 219 T N -2.429 112.110 114.554 -0.026 0.000 2.896 219 T HA -0.107 4.242 4.350 -0.000 0.000 0.263 219 T C 1.787 176.530 174.700 0.072 0.000 1.050 219 T CA 0.790 62.898 62.100 0.012 0.000 1.140 219 T CB -0.182 68.664 68.868 -0.036 0.000 0.877 219 T HN 0.278 nan 8.240 nan 0.000 0.457 220 H N 1.734 120.820 119.070 0.026 0.000 2.389 220 H HA 0.139 4.695 4.556 -0.000 0.000 0.299 220 H C 1.969 177.303 175.328 0.009 0.000 1.081 220 H CA 0.886 56.944 56.048 0.016 0.000 1.345 220 H CB -0.112 29.656 29.762 0.010 0.000 1.393 220 H HN 0.256 nan 8.280 nan 0.000 0.520 221 R N 2.060 122.634 120.500 0.124 0.000 2.346 221 R HA -0.020 4.320 4.340 -0.000 0.000 0.225 221 R C 0.343 176.653 176.300 0.018 0.000 0.987 221 R CA 0.150 56.280 56.100 0.050 0.000 1.106 221 R CB -0.084 30.229 30.300 0.023 0.000 1.090 221 R HN 0.502 nan 8.270 nan 0.000 0.502 222 Q N -0.390 119.444 119.800 0.058 0.000 2.378 222 Q HA -0.318 4.021 4.340 -0.000 0.000 0.296 222 Q C 0.057 176.024 176.000 -0.055 0.000 1.209 222 Q CA 1.194 57.039 55.803 0.069 0.000 0.910 222 Q CB -1.696 27.093 28.738 0.085 0.000 1.240 222 Q HN 0.533 nan 8.270 nan 0.000 0.499 223 Q N -0.129 119.658 119.800 -0.023 0.000 2.424 223 Q HA 0.254 4.594 4.340 -0.000 0.000 0.204 223 Q C 0.394 176.492 176.000 0.163 0.000 0.933 223 Q CA 0.607 56.380 55.803 -0.049 0.000 0.929 223 Q CB 0.419 29.138 28.738 -0.032 0.000 1.037 223 Q HN 0.514 nan 8.270 nan 0.000 0.511 224 L N 1.568 122.939 121.223 0.247 0.000 2.401 224 L HA 0.469 4.809 4.340 -0.000 0.000 0.266 224 L C -2.469 174.538 176.870 0.229 0.000 0.991 224 L CA -2.389 52.653 54.840 0.338 0.000 0.818 224 L CB 2.218 44.471 42.059 0.324 0.000 1.321 224 L HN -0.160 nan 8.230 nan 0.000 0.413 225 P HA 0.218 nan 4.420 nan 0.000 0.275 225 P C -2.648 174.508 177.300 -0.240 0.000 1.228 225 P CA -1.737 61.229 63.100 -0.224 0.000 0.786 225 P CB -0.016 31.333 31.700 -0.585 0.000 0.927 226 P HA 0.044 nan 4.420 nan 0.000 0.257 226 P C -0.496 176.639 177.300 -0.275 0.000 1.153 226 P CA 1.328 64.332 63.100 -0.159 0.000 0.762 226 P CB -0.247 31.375 31.700 -0.130 0.000 0.743 227 A N 3.097 125.772 122.820 -0.241 0.000 2.593 227 A HA 0.657 4.977 4.320 -0.000 0.000 0.290 227 A C -1.268 176.146 177.584 -0.283 0.000 1.126 227 A CA -0.549 51.251 52.037 -0.396 0.000 0.695 227 A CB 1.348 19.900 19.000 -0.747 0.000 1.290 227 A HN 0.235 nan 8.150 nan 0.000 0.414 228 V N 1.013 120.734 119.914 -0.322 0.000 2.417 228 V HA 0.469 4.589 4.120 -0.000 0.000 0.291 228 V C -1.458 174.480 176.094 -0.261 0.000 1.024 228 V CA -0.225 61.983 62.300 -0.154 0.000 0.861 228 V CB 0.862 32.653 31.823 -0.054 0.000 0.985 228 V HN 0.691 nan 8.190 nan 0.000 0.436 229 Y N 3.167 123.544 120.300 0.127 0.000 2.335 229 Y HA 0.593 5.143 4.550 -0.000 0.000 0.338 229 Y C 0.025 176.065 175.900 0.233 0.000 0.977 229 Y CA -0.867 57.369 58.100 0.226 0.000 1.114 229 Y CB 1.994 40.689 38.460 0.392 0.000 1.182 229 Y HN 0.336 nan 8.280 nan 0.000 0.463 230 V N 5.879 125.961 119.914 0.280 0.000 2.334 230 V HA 0.297 4.417 4.120 -0.000 0.000 0.281 230 V C -0.654 175.625 176.094 0.308 0.000 1.016 230 V CA -0.679 61.767 62.300 0.244 0.000 0.832 230 V CB 0.952 32.818 31.823 0.072 0.000 0.999 230 V HN 0.480 nan 8.190 nan 0.000 0.439 231 L N 6.666 128.149 121.223 0.434 0.000 2.257 231 L HA 0.518 4.858 4.340 -0.000 0.000 0.290 231 L C -0.087 177.086 176.870 0.505 0.000 1.044 231 L CA 0.258 55.367 54.840 0.449 0.000 0.810 231 L CB 1.217 43.553 42.059 0.463 0.000 1.193 231 L HN 0.459 nan 8.230 nan 0.000 0.425 232 I N 2.744 123.548 120.570 0.390 0.000 2.307 232 I HA 0.164 4.334 4.170 -0.000 0.000 0.289 232 I C 0.035 176.389 176.117 0.395 0.000 1.021 232 I CA -0.818 60.709 61.300 0.378 0.000 1.224 232 I CB 1.194 39.382 38.000 0.312 0.000 1.376 232 I HN 0.481 nan 8.210 nan 0.000 0.470 233 D N 6.161 126.829 120.400 0.446 0.000 2.502 233 D HA 0.098 4.738 4.640 -0.000 0.000 0.249 233 D C 0.217 176.658 176.300 0.235 0.000 1.188 233 D CA 0.264 54.490 54.000 0.378 0.000 0.890 233 D CB 0.885 41.874 40.800 0.316 0.000 1.140 233 D HN 0.611 nan 8.370 nan 0.000 0.505 234 A N 4.130 127.053 122.820 0.171 0.000 2.462 234 A HA 0.213 4.533 4.320 -0.000 0.000 0.243 234 A C 1.506 179.131 177.584 0.069 0.000 1.076 234 A CA -0.294 51.793 52.037 0.084 0.000 0.773 234 A CB 0.306 19.333 19.000 0.045 0.000 1.010 234 A HN 0.720 nan 8.150 nan 0.000 0.493 235 I N 0.233 120.807 120.570 0.007 0.000 2.400 235 I HA 0.092 4.262 4.170 -0.000 0.000 0.248 235 I C 0.316 176.441 176.117 0.013 0.000 1.109 235 I CA 1.309 62.576 61.300 -0.056 0.000 1.425 235 I CB -0.126 37.682 38.000 -0.321 0.000 1.094 235 I HN 0.906 nan 8.210 nan 0.000 0.425 236 D N -3.635 116.806 120.400 0.068 0.000 2.769 236 D HA 0.082 4.722 4.640 -0.000 0.000 0.309 236 D C 0.384 176.736 176.300 0.086 0.000 1.315 236 D CA -0.439 53.610 54.000 0.082 0.000 0.780 236 D CB 0.398 41.260 40.800 0.103 0.000 1.312 236 D HN -0.295 nan 8.370 nan 0.000 0.437 237 T N -0.369 114.213 114.554 0.046 0.000 2.597 237 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 237 T C 1.688 176.408 174.700 0.034 0.000 1.053 237 T CA 2.891 64.998 62.100 0.011 0.000 1.165 237 T CB -0.820 68.045 68.868 -0.005 0.000 0.863 237 T HN 0.651 nan 8.240 nan 0.000 0.427 238 T N 0.674 115.253 114.554 0.043 0.000 2.746 238 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 238 T C 1.744 176.449 174.700 0.008 0.000 1.039 238 T CA 1.630 63.739 62.100 0.014 0.000 1.142 238 T CB -0.553 68.291 68.868 -0.040 0.000 0.866 238 T HN 0.528 nan 8.240 nan 0.000 0.444 239 H N 0.606 119.693 119.070 0.028 0.000 2.321 239 H HA 0.079 4.635 4.556 -0.000 0.000 0.300 239 H C 2.617 177.961 175.328 0.026 0.000 1.087 239 H CA 1.612 57.683 56.048 0.039 0.000 1.319 239 H CB -0.069 29.703 29.762 0.016 0.000 1.379 239 H HN 0.159 nan 8.280 nan 0.000 0.501 240 R N 0.262 120.835 120.500 0.121 0.000 2.091 240 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 240 R C 2.212 178.558 176.300 0.076 0.000 1.136 240 R CA 1.250 57.367 56.100 0.029 0.000 0.959 240 R CB -0.222 30.070 30.300 -0.014 0.000 0.856 240 R HN 0.362 nan 8.270 nan 0.000 0.437 241 A N -0.901 122.005 122.820 0.142 0.000 2.066 241 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 241 A C 1.754 179.449 177.584 0.185 0.000 1.157 241 A CA 1.446 53.664 52.037 0.302 0.000 0.670 241 A CB -0.452 18.721 19.000 0.287 0.000 0.804 241 A HN 0.572 nan 8.150 nan 0.000 0.453 242 H N -0.684 118.392 119.070 0.011 0.000 2.418 242 H HA 0.171 4.727 4.556 -0.000 0.000 0.300 242 H C 1.837 177.097 175.328 -0.114 0.000 1.041 242 H CA 1.660 57.690 56.048 -0.030 0.000 1.364 242 H CB 0.103 29.841 29.762 -0.040 0.000 1.439 242 H HN 0.497 nan 8.280 nan 0.000 0.540 243 E N 0.030 120.110 120.200 -0.199 0.000 2.086 243 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 243 E C 2.177 178.393 176.600 -0.640 0.000 0.975 243 E CA 0.653 56.809 56.400 -0.406 0.000 0.813 243 E CB 0.237 29.736 29.700 -0.335 0.000 0.768 243 E HN 0.377 nan 8.360 nan 0.000 0.457 244 L N 1.243 122.151 121.223 -0.525 0.000 2.005 244 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 244 L C -1.336 175.235 176.870 -0.499 0.000 1.072 244 L CA 0.541 55.083 54.840 -0.497 0.000 0.744 244 L CB -1.268 40.652 42.059 -0.232 0.000 0.895 244 L HN 0.034 nan 8.230 nan 0.000 0.433 245 P HA 0.096 nan 4.420 nan 0.000 0.279 245 P C -0.061 176.604 177.300 -1.058 0.000 1.318 245 P CA -0.029 62.378 63.100 -1.156 0.000 0.819 245 P CB 0.268 30.647 31.700 -2.201 0.000 0.927 246 C N 1.584 120.323 119.300 -0.935 0.000 4.165 246 C HA -0.164 4.296 4.460 -0.000 0.000 0.299 246 C C 0.904 175.438 174.990 -0.761 0.000 1.445 246 C CA 0.142 58.396 59.018 -1.274 0.000 2.029 246 C CB -3.103 24.236 27.740 -0.669 0.000 1.288 246 C HN 0.648 nan 8.230 nan 0.000 0.752 247 N N 0.140 118.545 118.700 -0.491 0.000 2.419 247 N HA 0.542 5.282 4.740 -0.000 0.000 0.264 247 N C 0.715 176.357 175.510 0.221 0.000 1.031 247 N CA 0.552 53.510 53.050 -0.153 0.000 0.951 247 N CB 1.487 39.831 38.487 -0.239 0.000 1.101 247 N HN 0.466 nan 8.380 nan 0.000 0.488 248 A N 3.714 126.743 122.820 0.349 0.000 1.872 248 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 248 A C 1.514 179.359 177.584 0.434 0.000 1.187 248 A CA 1.089 53.490 52.037 0.608 0.000 0.614 248 A CB -0.236 19.056 19.000 0.486 0.000 0.826 248 A HN 0.754 nan 8.150 nan 0.000 0.442 249 D N -0.908 119.655 120.400 0.272 0.000 2.203 249 D HA -0.197 4.443 4.640 -0.000 0.000 0.199 249 D C 1.593 177.984 176.300 0.152 0.000 0.997 249 D CA 1.496 55.610 54.000 0.190 0.000 0.863 249 D CB -0.311 40.581 40.800 0.154 0.000 0.928 249 D HN 0.540 nan 8.370 nan 0.000 0.458 250 F N 0.073 120.022 119.950 -0.002 0.000 2.051 250 F HA -0.200 4.327 4.527 -0.000 0.000 0.296 250 F C 2.087 177.751 175.800 -0.226 0.000 1.122 250 F CA 1.521 59.421 58.000 -0.166 0.000 1.201 250 F CB -0.468 38.317 39.000 -0.359 0.000 0.978 250 F HN -0.073 nan 8.300 nan 0.000 0.472 251 W N 0.671 121.946 121.300 -0.041 0.000 2.425 251 W HA -0.076 4.584 4.660 -0.000 0.000 0.277 251 W C 2.165 178.383 176.519 -0.502 0.000 1.231 251 W CA 0.643 57.772 57.345 -0.360 0.000 1.248 251 W CB -0.500 28.705 29.460 -0.425 0.000 1.117 251 W HN 0.079 nan 8.180 nan 0.000 0.568 252 L N 0.006 121.148 121.223 -0.135 0.000 1.976 252 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 252 L C 2.742 179.578 176.870 -0.056 0.000 1.071 252 L CA 1.521 56.311 54.840 -0.083 0.000 0.746 252 L CB -1.456 40.655 42.059 0.086 0.000 0.890 252 L HN 0.006 nan 8.230 nan 0.000 0.432 253 A N -0.074 122.731 122.820 -0.025 0.000 1.892 253 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 253 A C 2.403 180.013 177.584 0.043 0.000 1.188 253 A CA 2.430 54.518 52.037 0.085 0.000 0.631 253 A CB -1.230 17.858 19.000 0.147 0.000 0.822 253 A HN 0.357 nan 8.150 nan 0.000 0.447 254 V N -0.451 119.344 119.914 -0.198 0.000 2.287 254 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 254 V C 2.187 178.167 176.094 -0.191 0.000 1.053 254 V CA 2.794 64.875 62.300 -0.365 0.000 1.027 254 V CB -0.993 30.518 31.823 -0.520 0.000 0.646 254 V HN 0.695 nan 8.190 nan 0.000 0.447 255 Q N -0.517 119.238 119.800 -0.075 0.000 2.050 255 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 255 Q C 2.434 178.402 176.000 -0.054 0.000 0.980 255 Q CA 2.469 58.244 55.803 -0.048 0.000 0.840 255 Q CB -0.203 28.473 28.738 -0.104 0.000 0.898 255 Q HN 0.766 nan 8.270 nan 0.000 0.424 256 Q N -0.085 119.692 119.800 -0.039 0.000 2.123 256 Q HA -0.100 4.240 4.340 -0.000 0.000 0.196 256 Q C 1.700 177.704 176.000 0.006 0.000 0.958 256 Q CA 1.033 56.835 55.803 -0.003 0.000 0.841 256 Q CB 0.325 29.079 28.738 0.028 0.000 0.915 256 Q HN 0.389 nan 8.270 nan 0.000 0.455 257 E N -0.041 120.174 120.200 0.025 0.000 2.132 257 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 257 E C 1.743 178.253 176.600 -0.150 0.000 0.951 257 E CA 0.259 56.700 56.400 0.067 0.000 0.843 257 E CB 0.090 29.997 29.700 0.345 0.000 0.807 257 E HN 0.075 nan 8.360 nan 0.000 0.467 258 L N 1.268 122.216 121.223 -0.457 0.000 2.022 258 L HA -0.024 4.316 4.340 -0.000 0.000 0.204 258 L C 2.074 178.731 176.870 -0.355 0.000 1.076 258 L CA 1.498 55.856 54.840 -0.802 0.000 0.749 258 L CB -0.417 40.776 42.059 -1.443 0.000 0.903 258 L HN 0.081 nan 8.230 nan 0.000 0.439 259 L N -0.226 120.874 121.223 -0.206 0.000 2.131 259 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 259 L C -0.252 176.685 176.870 0.112 0.000 1.092 259 L CA 1.022 55.868 54.840 0.010 0.000 0.759 259 L CB -1.957 40.152 42.059 0.084 0.000 0.903 259 L HN 0.280 nan 8.230 nan 0.000 0.435 260 P HA -0.200 nan 4.420 nan 0.000 0.215 260 P C 1.761 179.054 177.300 -0.012 0.000 1.153 260 P CA 1.063 64.160 63.100 -0.005 0.000 0.853 260 P CB 0.052 31.738 31.700 -0.022 0.000 0.788 261 L N -0.117 121.086 121.223 -0.032 0.000 1.970 261 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 261 L C 2.160 179.035 176.870 0.008 0.000 1.071 261 L CA 1.984 56.806 54.840 -0.030 0.000 0.751 261 L CB -1.353 40.666 42.059 -0.067 0.000 0.889 261 L HN -0.192 nan 8.230 nan 0.000 0.432 262 V N -0.012 119.925 119.914 0.039 0.000 2.324 262 V HA -0.372 3.748 4.120 -0.000 0.000 0.250 262 V C 2.705 178.938 176.094 0.232 0.000 1.060 262 V CA 2.263 64.645 62.300 0.136 0.000 1.042 262 V CB -0.943 30.971 31.823 0.151 0.000 0.650 262 V HN 0.518 nan 8.190 nan 0.000 0.450 263 K N -0.134 120.395 120.400 0.216 0.000 2.032 263 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 263 K C 2.073 178.595 176.600 -0.130 0.000 1.048 263 K CA 1.767 57.943 56.287 -0.185 0.000 0.927 263 K CB -0.230 31.978 32.500 -0.487 0.000 0.712 263 K HN 0.414 nan 8.250 nan 0.000 0.441 264 V N 1.369 121.241 119.914 -0.070 0.000 2.427 264 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 264 V C 2.215 178.292 176.094 -0.028 0.000 1.051 264 V CA 1.533 63.799 62.300 -0.057 0.000 1.048 264 V CB -0.328 31.471 31.823 -0.041 0.000 0.666 264 V HN 0.276 nan 8.190 nan 0.000 0.456 265 I N 0.034 120.605 120.570 0.002 0.000 2.193 265 I HA 0.008 4.178 4.170 -0.000 0.000 0.240 265 I C 1.256 177.385 176.117 0.020 0.000 1.084 265 I CA 1.422 62.729 61.300 0.013 0.000 1.365 265 I CB -0.121 37.893 38.000 0.024 0.000 1.064 265 I HN 0.297 nan 8.210 nan 0.000 0.410 266 A N 1.047 123.901 122.820 0.057 0.000 2.702 266 A HA 0.543 4.863 4.320 -0.000 0.000 0.305 266 A C -2.581 175.062 177.584 0.099 0.000 1.213 266 A CA -1.282 50.792 52.037 0.060 0.000 0.745 266 A CB -0.043 19.000 19.000 0.070 0.000 1.161 266 A HN -0.092 nan 8.150 nan 0.000 0.445 267 P HA 0.305 nan 4.420 nan 0.000 0.264 267 P C -0.676 176.611 177.300 -0.022 0.000 1.183 267 P CA 0.701 63.731 63.100 -0.116 0.000 0.763 267 P CB 0.010 31.636 31.700 -0.123 0.000 0.807 268 F N -0.569 119.341 119.950 -0.065 0.000 2.613 268 F HA 0.626 5.153 4.527 -0.000 0.000 0.310 268 F C 0.097 175.856 175.800 -0.069 0.000 1.085 268 F CA -1.495 56.460 58.000 -0.076 0.000 0.945 268 F CB 0.806 39.766 39.000 -0.067 0.000 1.298 268 F HN 0.128 nan 8.300 nan 0.000 0.455 269 S N 0.383 116.166 115.700 0.138 0.000 2.566 269 S HA 0.031 4.501 4.470 -0.000 0.000 0.280 269 S C 0.400 175.064 174.600 0.106 0.000 1.343 269 S CA 0.089 58.321 58.200 0.054 0.000 1.036 269 S CB 0.338 63.554 63.200 0.027 0.000 0.866 269 S HN 0.765 nan 8.310 nan 0.000 0.526 270 D N 1.499 121.911 120.400 0.020 0.000 2.349 270 D HA 0.169 4.809 4.640 -0.000 0.000 0.214 270 D C 0.125 176.440 176.300 0.025 0.000 1.063 270 D CA 0.252 54.264 54.000 0.019 0.000 0.847 270 D CB 0.157 40.936 40.800 -0.034 0.000 0.933 270 D HN 0.417 nan 8.370 nan 0.000 0.513 271 R N 0.408 120.929 120.500 0.036 0.000 2.220 271 R HA 0.402 4.742 4.340 -0.000 0.000 0.340 271 R C 1.251 177.578 176.300 0.045 0.000 1.076 271 R CA -0.205 55.914 56.100 0.031 0.000 0.920 271 R CB 1.158 31.476 30.300 0.030 0.000 1.062 271 R HN -0.080 nan 8.270 nan 0.000 0.469 272 A N 3.718 126.552 122.820 0.024 0.000 1.971 272 A HA -0.288 4.032 4.320 -0.000 0.000 0.222 272 A C 1.605 179.230 177.584 0.069 0.000 1.182 272 A CA 2.147 54.200 52.037 0.026 0.000 0.649 272 A CB -0.368 18.638 19.000 0.009 0.000 0.818 272 A HN 0.892 nan 8.150 nan 0.000 0.458 273 D N -0.067 120.374 120.400 0.068 0.000 2.309 273 D HA -0.221 4.419 4.640 -0.000 0.000 0.212 273 D C 1.653 178.029 176.300 0.127 0.000 0.968 273 D CA 1.424 55.475 54.000 0.086 0.000 0.882 273 D CB -0.420 40.424 40.800 0.073 0.000 0.918 273 D HN 0.811 nan 8.370 nan 0.000 0.503 274 R N 0.083 120.672 120.500 0.149 0.000 2.404 274 R HA 0.151 4.491 4.340 -0.000 0.000 0.237 274 R C 0.120 176.630 176.300 0.349 0.000 0.907 274 R CA -0.275 55.985 56.100 0.267 0.000 1.063 274 R CB -0.233 30.162 30.300 0.159 0.000 1.134 274 R HN -0.184 nan 8.270 nan 0.000 0.529 275 T N 2.021 116.699 114.554 0.206 0.000 2.814 275 T HA 0.287 4.637 4.350 -0.000 0.000 0.297 275 T C -0.271 174.530 174.700 0.168 0.000 0.956 275 T CA -0.144 62.070 62.100 0.191 0.000 1.123 275 T CB 1.830 70.781 68.868 0.139 0.000 0.902 275 T HN -0.071 nan 8.240 nan 0.000 0.528 276 V N 4.070 124.053 119.914 0.116 0.000 2.628 276 V HA 0.517 4.637 4.120 -0.000 0.000 0.306 276 V C -0.170 175.926 176.094 0.003 0.000 1.045 276 V CA -0.799 61.483 62.300 -0.030 0.000 0.905 276 V CB 2.117 33.780 31.823 -0.266 0.000 0.997 276 V HN 0.663 nan 8.190 nan 0.000 0.436 277 V N 3.346 123.222 119.914 -0.062 0.000 2.407 277 V HA 0.810 4.930 4.120 -0.000 0.000 0.291 277 V C 0.191 176.235 176.094 -0.084 0.000 1.018 277 V CA -0.441 61.805 62.300 -0.090 0.000 0.842 277 V CB 1.496 33.148 31.823 -0.285 0.000 0.996 277 V HN 1.018 nan 8.190 nan 0.000 0.426 278 A N 3.579 126.366 122.820 -0.056 0.000 2.337 278 A HA 1.030 5.350 4.320 -0.000 0.000 0.329 278 A C 0.130 177.671 177.584 -0.073 0.000 1.146 278 A CA -0.076 51.894 52.037 -0.111 0.000 0.800 278 A CB 1.796 20.693 19.000 -0.171 0.000 1.220 278 A HN 1.306 nan 8.150 nan 0.000 0.472 279 G N 0.429 109.151 108.800 -0.129 0.000 2.632 279 G HA2 0.543 4.503 3.960 -0.000 0.000 0.292 279 G HA3 0.543 4.503 3.960 -0.000 0.000 0.292 279 G C -1.764 172.965 174.900 -0.284 0.000 1.465 279 G CA -0.628 44.394 45.100 -0.131 0.000 0.824 279 G HN 0.720 nan 8.290 nan 0.000 0.509 280 Q N 0.289 119.851 119.800 -0.397 0.000 2.297 280 Q HA 0.724 5.064 4.340 -0.000 0.000 0.268 280 Q C 1.025 176.712 176.000 -0.522 0.000 1.045 280 Q CA 0.158 55.482 55.803 -0.798 0.000 0.861 280 Q CB 1.867 29.610 28.738 -1.660 0.000 1.344 280 Q HN 1.725 nan 8.270 nan 0.000 0.452 281 S N 0.666 116.094 115.700 -0.454 0.000 4.137 281 S HA -0.381 4.089 4.470 -0.000 0.000 0.541 281 S C 1.182 175.818 174.600 0.060 0.000 1.855 281 S CA 1.886 60.068 58.200 -0.030 0.000 4.197 281 S CB -1.308 62.025 63.200 0.221 0.000 0.627 281 S HN 0.539 nan 8.310 nan 0.000 0.490 282 F N 3.047 122.904 119.950 -0.155 0.000 2.202 282 F HA 0.126 4.653 4.527 -0.000 0.000 0.301 282 F C 2.947 178.611 175.800 -0.227 0.000 1.082 282 F CA 1.164 59.029 58.000 -0.224 0.000 1.313 282 F CB -1.622 37.255 39.000 -0.205 0.000 1.024 282 F HN 0.667 nan 8.300 nan 0.000 0.495 283 G N -0.576 108.229 108.800 0.008 0.000 2.408 283 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 283 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 283 G C 2.077 176.937 174.900 -0.067 0.000 1.150 283 G CA 0.802 45.882 45.100 -0.033 0.000 0.776 283 G HN 0.518 nan 8.290 nan 0.000 0.542 284 G N 0.770 109.475 108.800 -0.158 0.000 2.421 284 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 284 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 284 G C 1.689 176.505 174.900 -0.139 0.000 1.171 284 G CA 0.776 45.783 45.100 -0.154 0.000 0.775 284 G HN 0.341 nan 8.290 nan 0.000 0.543 285 L N 0.836 121.854 121.223 -0.343 0.000 2.012 285 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 285 L C 2.718 179.547 176.870 -0.069 0.000 1.073 285 L CA 2.433 57.036 54.840 -0.395 0.000 0.748 285 L CB -0.798 40.923 42.059 -0.562 0.000 0.891 285 L HN 0.320 nan 8.230 nan 0.000 0.431 286 S N -0.484 115.184 115.700 -0.052 0.000 2.370 286 S HA -0.172 4.298 4.470 -0.000 0.000 0.226 286 S C 2.121 176.851 174.600 0.216 0.000 1.033 286 S CA 1.347 59.649 58.200 0.170 0.000 1.011 286 S CB -0.184 63.161 63.200 0.242 0.000 0.852 286 S HN 0.661 nan 8.310 nan 0.000 0.457 287 A N 1.554 124.441 122.820 0.111 0.000 1.865 287 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 287 A C 2.236 179.782 177.584 -0.063 0.000 1.191 287 A CA 1.620 53.639 52.037 -0.030 0.000 0.623 287 A CB -0.973 18.014 19.000 -0.021 0.000 0.826 287 A HN 0.565 nan 8.150 nan 0.000 0.444 288 L N -1.807 119.466 121.223 0.083 0.000 2.017 288 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 288 L C 2.570 179.517 176.870 0.128 0.000 1.073 288 L CA 2.338 57.255 54.840 0.129 0.000 0.745 288 L CB -0.521 41.711 42.059 0.288 0.000 0.894 288 L HN 0.656 nan 8.230 nan 0.000 0.432 289 Y N 0.428 120.760 120.300 0.053 0.000 2.256 289 Y HA -0.300 4.250 4.550 -0.000 0.000 0.288 289 Y C 2.298 178.228 175.900 0.049 0.000 1.155 289 Y CA 1.696 59.854 58.100 0.097 0.000 1.203 289 Y CB -0.233 38.282 38.460 0.091 0.000 0.980 289 Y HN 0.236 nan 8.280 nan 0.000 0.530 290 A N 0.262 122.971 122.820 -0.186 0.000 1.854 290 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 290 A C 2.499 180.052 177.584 -0.051 0.000 1.192 290 A CA 1.501 53.226 52.037 -0.520 0.000 0.611 290 A CB -1.701 16.200 19.000 -1.831 0.000 0.832 290 A HN 0.576 nan 8.150 nan 0.000 0.442 291 G N 0.051 108.798 108.800 -0.089 0.000 2.491 291 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 291 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 291 G C 1.388 176.301 174.900 0.022 0.000 1.180 291 G CA 1.330 46.464 45.100 0.057 0.000 0.774 291 G HN 0.316 nan 8.290 nan 0.000 0.562 292 L N 0.437 121.631 121.223 -0.048 0.000 2.021 292 L HA -0.139 4.201 4.340 -0.000 0.000 0.215 292 L C 2.543 179.198 176.870 -0.359 0.000 1.074 292 L CA 1.966 56.704 54.840 -0.170 0.000 0.760 292 L CB -1.232 40.733 42.059 -0.157 0.000 0.889 292 L HN 0.357 nan 8.230 nan 0.000 0.433 293 H N -3.655 115.134 119.070 -0.469 0.000 2.497 293 H HA 0.057 4.613 4.556 -0.000 0.000 0.282 293 H C 0.176 175.038 175.328 -0.778 0.000 1.003 293 H CA 0.621 56.152 56.048 -0.862 0.000 1.307 293 H CB 0.147 28.899 29.762 -1.685 0.000 1.437 293 H HN 0.248 nan 8.280 nan 0.000 0.544 294 W N 2.002 123.329 121.300 0.045 0.000 1.890 294 W HA 0.227 4.887 4.660 -0.000 0.000 0.293 294 W C -2.249 174.293 176.519 0.037 0.000 0.895 294 W CA -1.643 55.738 57.345 0.060 0.000 1.968 294 W CB 0.814 30.352 29.460 0.130 0.000 2.198 294 W HN 0.113 nan 8.180 nan 0.000 0.401 295 P HA -0.173 nan 4.420 nan 0.000 0.229 295 P C 1.491 178.826 177.300 0.057 0.000 1.160 295 P CA 1.499 64.653 63.100 0.090 0.000 0.777 295 P CB 0.211 31.922 31.700 0.019 0.000 0.814 296 E N 0.721 120.948 120.200 0.046 0.000 2.150 296 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 296 E C 1.926 178.491 176.600 -0.058 0.000 0.985 296 E CA 1.003 57.408 56.400 0.008 0.000 0.814 296 E CB -0.484 29.229 29.700 0.020 0.000 0.752 296 E HN 0.071 nan 8.360 nan 0.000 0.466 297 R N 0.002 120.411 120.500 -0.152 0.000 2.156 297 R HA 0.202 4.542 4.340 -0.000 0.000 0.207 297 R C 0.015 175.943 176.300 -0.620 0.000 1.040 297 R CA 0.507 56.313 56.100 -0.489 0.000 1.013 297 R CB 0.060 29.855 30.300 -0.841 0.000 0.931 297 R HN 0.115 nan 8.270 nan 0.000 0.465 298 F N -0.737 119.247 119.950 0.055 0.000 2.434 298 F HA 0.374 4.901 4.527 -0.000 0.000 0.367 298 F C 1.273 177.078 175.800 0.008 0.000 1.093 298 F CA -0.676 57.331 58.000 0.012 0.000 1.085 298 F CB 1.943 40.917 39.000 -0.044 0.000 1.322 298 F HN 0.047 nan 8.300 nan 0.000 0.452 299 G N 1.037 109.934 108.800 0.162 0.000 2.408 299 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.215 299 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.215 299 G C 0.020 174.969 174.900 0.083 0.000 1.156 299 G CA 0.472 45.634 45.100 0.103 0.000 0.793 299 G HN 0.563 nan 8.290 nan 0.000 0.535 300 C N 0.175 119.517 119.300 0.070 0.000 2.498 300 C HA 0.725 5.185 4.460 -0.000 0.000 0.316 300 C C -0.278 174.694 174.990 -0.031 0.000 1.209 300 C CA -1.074 57.946 59.018 0.005 0.000 1.518 300 C CB 1.407 29.110 27.740 -0.062 0.000 2.147 300 C HN 0.072 nan 8.230 nan 0.000 0.483 301 V N 3.669 123.562 119.914 -0.035 0.000 2.555 301 V HA 0.600 4.719 4.120 -0.000 0.000 0.302 301 V C -0.625 175.423 176.094 -0.076 0.000 1.038 301 V CA -0.406 61.864 62.300 -0.051 0.000 0.887 301 V CB 1.677 33.492 31.823 -0.013 0.000 0.991 301 V HN 0.679 nan 8.190 nan 0.000 0.434 302 L N 4.661 125.817 121.223 -0.111 0.000 2.401 302 L HA 0.642 4.982 4.340 -0.000 0.000 0.263 302 L C -0.224 176.571 176.870 -0.125 0.000 1.004 302 L CA 0.115 54.870 54.840 -0.143 0.000 0.881 302 L CB 1.374 43.305 42.059 -0.213 0.000 1.219 302 L HN 0.635 nan 8.230 nan 0.000 0.441 303 S N 4.798 120.451 115.700 -0.078 0.000 2.474 303 S HA 0.605 5.075 4.470 -0.000 0.000 0.321 303 S C -0.721 173.810 174.600 -0.115 0.000 1.080 303 S CA -0.504 57.660 58.200 -0.060 0.000 1.106 303 S CB 0.548 63.814 63.200 0.109 0.000 0.984 303 S HN 0.708 nan 8.310 nan 0.000 0.464 304 Q N 2.997 122.647 119.800 -0.251 0.000 2.307 304 Q HA 0.414 4.754 4.340 -0.000 0.000 0.262 304 Q C 0.177 175.971 176.000 -0.344 0.000 0.961 304 Q CA -0.799 54.809 55.803 -0.325 0.000 0.882 304 Q CB 1.582 30.002 28.738 -0.530 0.000 1.264 304 Q HN 0.837 nan 8.270 nan 0.000 0.446 305 S N 0.571 116.196 115.700 -0.126 0.000 3.477 305 S HA -0.200 4.270 4.470 -0.000 0.000 0.357 305 S C 0.657 175.247 174.600 -0.017 0.000 1.083 305 S CA 0.419 58.622 58.200 0.006 0.000 1.042 305 S CB -1.537 61.735 63.200 0.119 0.000 0.911 305 S HN 0.968 nan 8.310 nan 0.000 0.490 306 G N 0.989 109.747 108.800 -0.069 0.000 2.287 306 G HA2 0.291 4.251 3.960 -0.000 0.000 0.235 306 G HA3 0.291 4.251 3.960 -0.000 0.000 0.235 306 G C 0.133 174.810 174.900 -0.371 0.000 1.258 306 G CA -0.180 44.727 45.100 -0.321 0.000 0.884 306 G HN 0.482 nan 8.290 nan 0.000 0.518 307 S N 2.325 117.821 115.700 -0.339 0.000 4.183 307 S HA 0.144 4.614 4.470 -0.000 0.000 0.195 307 S C 0.559 175.076 174.600 -0.139 0.000 1.421 307 S CA -0.352 57.807 58.200 -0.069 0.000 0.920 307 S CB -0.229 63.079 63.200 0.180 0.000 1.525 307 S HN 0.576 nan 8.310 nan 0.000 0.447 308 Y N -0.654 119.711 120.300 0.108 0.000 2.457 308 Y HA 0.029 4.579 4.550 -0.000 0.000 0.292 308 Y C 1.493 177.566 175.900 0.289 0.000 1.125 308 Y CA -0.019 58.155 58.100 0.123 0.000 1.254 308 Y CB -0.233 38.244 38.460 0.028 0.000 1.012 308 Y HN 0.649 nan 8.280 nan 0.000 0.555 309 W N -1.193 120.273 121.300 0.276 0.000 2.747 309 W HA -0.157 4.503 4.660 -0.000 0.000 0.244 309 W C 0.393 176.992 176.519 0.134 0.000 1.270 309 W CA -0.534 56.934 57.345 0.205 0.000 1.333 309 W CB -0.247 29.324 29.460 0.185 0.000 1.139 309 W HN 0.085 nan 8.180 nan 0.000 0.662 310 W N 3.339 124.738 121.300 0.164 0.000 2.210 310 W HA 0.022 4.682 4.660 -0.000 0.000 0.330 310 W C -1.752 174.662 176.519 -0.175 0.000 1.334 310 W CA -1.662 55.650 57.345 -0.055 0.000 1.227 310 W CB 0.827 30.157 29.460 -0.216 0.000 1.178 310 W HN -0.252 nan 8.180 nan 0.000 0.560 311 P HA -0.011 nan 4.420 nan 0.000 0.262 311 P C -0.611 176.288 177.300 -0.669 0.000 1.304 311 P CA 0.567 62.755 63.100 -1.520 0.000 0.859 311 P CB 0.209 30.853 31.700 -1.761 0.000 1.310 312 H N 0.866 119.804 119.070 -0.221 0.000 2.908 312 H HA 0.230 4.786 4.556 -0.000 0.000 0.269 312 H C 0.719 175.989 175.328 -0.095 0.000 1.303 312 H CA -0.379 55.572 56.048 -0.162 0.000 1.341 312 H CB 0.187 29.836 29.762 -0.189 0.000 1.519 312 H HN -0.076 nan 8.280 nan 0.000 0.505 313 R N 1.847 122.379 120.500 0.052 0.000 2.484 313 R HA 0.232 4.572 4.340 -0.000 0.000 0.293 313 R C 0.794 177.109 176.300 0.026 0.000 1.023 313 R CA 1.058 57.214 56.100 0.093 0.000 1.037 313 R CB 0.067 30.427 30.300 0.099 0.000 0.951 313 R HN 1.035 nan 8.270 nan 0.000 0.418 314 G N 2.299 111.129 108.800 0.049 0.000 2.472 314 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.205 314 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.205 314 G C 0.381 175.124 174.900 -0.261 0.000 1.270 314 G CA -0.302 44.793 45.100 -0.008 0.000 0.974 314 G HN 0.635 nan 8.290 nan 0.000 0.542 315 G N -0.205 108.496 108.800 -0.165 0.000 3.262 315 G HA2 0.371 4.331 3.960 -0.000 0.000 0.228 315 G HA3 0.371 4.331 3.960 -0.000 0.000 0.228 315 G C 1.131 175.841 174.900 -0.317 0.000 1.197 315 G CA 1.338 46.296 45.100 -0.238 0.000 0.819 315 G HN 0.708 nan 8.290 nan 0.000 0.531 316 Q N -0.595 119.003 119.800 -0.336 0.000 1.806 316 Q HA -0.032 4.308 4.340 -0.000 0.000 0.277 316 Q C 0.966 176.763 176.000 -0.337 0.000 0.993 316 Q CA 1.107 56.743 55.803 -0.280 0.000 0.888 316 Q CB -0.032 28.567 28.738 -0.232 0.000 0.941 316 Q HN 0.458 nan 8.270 nan 0.000 0.420 317 Q N 0.361 119.927 119.800 -0.389 0.000 2.397 317 Q HA 0.151 4.491 4.340 -0.000 0.000 0.275 317 Q C -1.694 174.185 176.000 -0.201 0.000 1.090 317 Q CA -0.576 55.039 55.803 -0.314 0.000 0.809 317 Q CB 1.685 30.145 28.738 -0.463 0.000 1.362 317 Q HN 0.230 nan 8.270 nan 0.000 0.431 318 E N 1.091 121.254 120.200 -0.062 0.000 2.467 318 E HA 0.285 4.635 4.350 -0.000 0.000 0.264 318 E C 0.153 176.977 176.600 0.374 0.000 1.020 318 E CA 0.156 56.696 56.400 0.233 0.000 0.945 318 E CB 0.138 30.009 29.700 0.285 0.000 0.942 318 E HN 0.686 nan 8.360 nan 0.000 0.449 319 G N 0.972 110.088 108.800 0.527 0.000 2.554 319 G HA2 0.020 3.980 3.960 -0.000 0.000 0.238 319 G HA3 0.020 3.980 3.960 -0.000 0.000 0.238 319 G C 0.613 175.670 174.900 0.262 0.000 1.259 319 G CA -0.369 44.959 45.100 0.380 0.000 0.843 319 G HN 0.513 nan 8.290 nan 0.000 0.582 320 V N 2.225 122.242 119.914 0.172 0.000 2.867 320 V HA -0.097 4.023 4.120 -0.000 0.000 0.260 320 V C 2.455 178.691 176.094 0.236 0.000 1.099 320 V CA 1.785 64.187 62.300 0.171 0.000 1.122 320 V CB -0.315 31.581 31.823 0.122 0.000 0.708 320 V HN 0.608 nan 8.190 nan 0.000 0.490 321 L N -1.184 120.211 121.223 0.287 0.000 2.168 321 L HA 0.109 4.449 4.340 -0.000 0.000 0.203 321 L C 2.101 179.101 176.870 0.216 0.000 1.078 321 L CA 1.553 56.563 54.840 0.283 0.000 0.780 321 L CB -0.298 41.971 42.059 0.349 0.000 0.939 321 L HN 0.203 nan 8.230 nan 0.000 0.451 322 L N -0.061 121.297 121.223 0.225 0.000 2.081 322 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 322 L C 2.437 179.392 176.870 0.142 0.000 1.080 322 L CA 2.139 57.083 54.840 0.174 0.000 0.754 322 L CB -0.394 41.804 42.059 0.232 0.000 0.893 322 L HN 0.543 nan 8.230 nan 0.000 0.433 323 E N -0.957 119.335 120.200 0.155 0.000 2.400 323 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 323 E C 1.970 178.631 176.600 0.102 0.000 1.012 323 E CA 0.171 56.642 56.400 0.119 0.000 0.875 323 E CB 0.003 29.776 29.700 0.121 0.000 0.859 323 E HN 0.310 nan 8.360 nan 0.000 0.498 324 K N 0.540 121.013 120.400 0.121 0.000 2.288 324 K HA 0.036 4.356 4.320 -0.000 0.000 0.201 324 K C 1.883 178.524 176.600 0.067 0.000 1.048 324 K CA 0.526 56.878 56.287 0.108 0.000 0.956 324 K CB 0.144 32.739 32.500 0.159 0.000 0.746 324 K HN 0.206 nan 8.250 nan 0.000 0.461 325 L N 0.366 121.629 121.223 0.067 0.000 2.084 325 L HA -0.093 4.247 4.340 -0.000 0.000 0.202 325 L C 2.489 179.376 176.870 0.028 0.000 1.074 325 L CA 0.831 55.691 54.840 0.033 0.000 0.757 325 L CB -0.370 41.709 42.059 0.033 0.000 0.918 325 L HN 0.078 nan 8.230 nan 0.000 0.444 326 K N 1.079 121.506 120.400 0.044 0.000 2.015 326 K HA -0.239 4.081 4.320 -0.000 0.000 0.216 326 K C 1.496 178.112 176.600 0.027 0.000 1.052 326 K CA 1.874 58.183 56.287 0.037 0.000 0.937 326 K CB -0.240 32.291 32.500 0.052 0.000 0.719 326 K HN 0.277 nan 8.250 nan 0.000 0.446 327 A N 0.827 123.667 122.820 0.033 0.000 2.081 327 A HA 0.118 4.438 4.320 -0.000 0.000 0.213 327 A C 0.986 178.578 177.584 0.013 0.000 1.374 327 A CA 0.915 52.967 52.037 0.025 0.000 1.203 327 A CB -1.377 17.642 19.000 0.033 0.000 0.786 327 A HN 0.632 nan 8.150 nan 0.000 0.535 328 G N -0.617 108.187 108.800 0.007 0.000 2.439 328 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.305 328 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.305 328 G C 0.785 175.675 174.900 -0.017 0.000 0.966 328 G CA 0.909 46.005 45.100 -0.007 0.000 0.890 328 G HN 0.669 nan 8.290 nan 0.000 0.513 329 E N -0.983 119.208 120.200 -0.014 0.000 2.033 329 E HA 0.092 4.442 4.350 -0.000 0.000 0.197 329 E C 1.364 177.922 176.600 -0.070 0.000 0.955 329 E CA 0.702 57.087 56.400 -0.024 0.000 0.855 329 E CB -0.042 29.661 29.700 0.005 0.000 0.841 329 E HN 0.288 nan 8.360 nan 0.000 0.476 330 V N 2.207 122.061 119.914 -0.100 0.000 2.686 330 V HA 0.126 4.246 4.120 -0.000 0.000 0.295 330 V C 0.373 176.372 176.094 -0.158 0.000 1.055 330 V CA -0.086 62.084 62.300 -0.217 0.000 1.050 330 V CB 1.150 32.749 31.823 -0.374 0.000 0.984 330 V HN 0.394 nan 8.190 nan 0.000 0.482 331 S N 2.384 117.980 115.700 -0.175 0.000 2.566 331 S HA 0.748 5.218 4.470 -0.000 0.000 0.298 331 S C 0.116 174.647 174.600 -0.116 0.000 1.083 331 S CA -0.202 57.929 58.200 -0.115 0.000 0.978 331 S CB 2.049 65.197 63.200 -0.086 0.000 1.073 331 S HN 1.155 nan 8.310 nan 0.000 0.491 332 A N 0.967 123.741 122.820 -0.076 0.000 2.579 332 A HA 0.359 4.679 4.320 -0.000 0.000 0.273 332 A C 0.203 177.760 177.584 -0.045 0.000 1.363 332 A CA -0.635 51.368 52.037 -0.057 0.000 0.953 332 A CB -1.190 17.789 19.000 -0.035 0.000 1.034 332 A HN 0.881 nan 8.150 nan 0.000 0.536 333 E N -0.047 120.121 120.200 -0.055 0.000 2.498 333 E HA 0.373 4.723 4.350 -0.000 0.000 0.252 333 E C 0.845 177.429 176.600 -0.027 0.000 1.025 333 E CA 0.416 56.791 56.400 -0.041 0.000 0.938 333 E CB -0.445 29.227 29.700 -0.047 0.000 0.947 333 E HN 0.786 nan 8.360 nan 0.000 0.478 334 G N 3.516 112.307 108.800 -0.015 0.000 2.351 334 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.297 334 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.297 334 G C -0.463 174.445 174.900 0.013 0.000 1.054 334 G CA 0.181 45.281 45.100 -0.000 0.000 1.123 334 G HN 0.432 nan 8.290 nan 0.000 0.512 335 L N -0.526 120.707 121.223 0.017 0.000 2.408 335 L HA 0.705 5.045 4.340 -0.000 0.000 0.268 335 L C 0.526 177.421 176.870 0.041 0.000 0.986 335 L CA -1.337 53.523 54.840 0.033 0.000 0.820 335 L CB 1.822 43.898 42.059 0.029 0.000 1.303 335 L HN 0.230 nan 8.230 nan 0.000 0.411 336 R N 3.454 123.990 120.500 0.060 0.000 2.404 336 R HA 0.810 5.150 4.340 -0.000 0.000 0.291 336 R C -0.727 175.630 176.300 0.095 0.000 1.025 336 R CA -0.634 55.520 56.100 0.090 0.000 0.991 336 R CB 1.881 32.257 30.300 0.128 0.000 1.053 336 R HN 0.736 nan 8.270 nan 0.000 0.479 337 I N -1.002 119.650 120.570 0.136 0.000 2.680 337 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 337 I C -1.380 174.838 176.117 0.170 0.000 1.244 337 I CA -1.130 60.233 61.300 0.105 0.000 1.042 337 I CB 2.247 40.284 38.000 0.062 0.000 1.277 337 I HN 0.301 nan 8.210 nan 0.000 0.423 338 V N 7.450 127.408 119.914 0.074 0.000 2.406 338 V HA 0.369 4.489 4.120 -0.000 0.000 0.272 338 V C -0.041 176.060 176.094 0.011 0.000 1.043 338 V CA -0.363 61.961 62.300 0.040 0.000 0.915 338 V CB 1.300 33.044 31.823 -0.131 0.000 0.988 338 V HN 0.573 nan 8.190 nan 0.000 0.466 339 L N 6.132 127.370 121.223 0.025 0.000 2.388 339 L HA 0.572 4.912 4.340 -0.000 0.000 0.267 339 L C -0.209 176.553 176.870 -0.180 0.000 0.995 339 L CA -0.229 54.616 54.840 0.008 0.000 0.864 339 L CB 1.483 43.623 42.059 0.134 0.000 1.216 339 L HN 0.906 nan 8.230 nan 0.000 0.430 340 E N 4.607 124.689 120.200 -0.197 0.000 2.288 340 E HA 0.890 5.240 4.350 -0.000 0.000 0.268 340 E C -1.650 174.817 176.600 -0.222 0.000 0.885 340 E CA -0.702 55.515 56.400 -0.305 0.000 0.767 340 E CB 2.693 32.261 29.700 -0.220 0.000 1.220 340 E HN 0.519 nan 8.360 nan 0.000 0.427 341 A N 1.893 124.555 122.820 -0.264 0.000 2.612 341 A HA 0.752 5.072 4.320 -0.000 0.000 0.293 341 A C -0.577 176.953 177.584 -0.091 0.000 1.075 341 A CA -0.413 51.561 52.037 -0.104 0.000 0.680 341 A CB 1.502 20.466 19.000 -0.060 0.000 1.279 341 A HN 0.763 nan 8.150 nan 0.000 0.411 342 G N -0.466 108.340 108.800 0.010 0.000 2.410 342 G HA2 0.522 4.482 3.960 -0.000 0.000 0.330 342 G HA3 0.522 4.482 3.960 -0.000 0.000 0.330 342 G C 0.694 175.616 174.900 0.037 0.000 1.142 342 G CA -0.299 44.807 45.100 0.011 0.000 0.902 342 G HN 0.908 nan 8.290 nan 0.000 0.491 343 I N 0.245 120.833 120.570 0.031 0.000 2.179 343 I HA -0.092 4.078 4.170 -0.000 0.000 0.242 343 I C 2.027 178.188 176.117 0.074 0.000 1.088 343 I CA 0.840 62.169 61.300 0.048 0.000 1.357 343 I CB -0.227 37.799 38.000 0.043 0.000 1.051 343 I HN 0.335 nan 8.210 nan 0.000 0.409 344 R N 2.073 122.635 120.500 0.103 0.000 2.849 344 R HA 0.012 4.352 4.340 -0.000 0.000 0.238 344 R C 0.441 176.902 176.300 0.269 0.000 1.403 344 R CA 0.472 56.683 56.100 0.184 0.000 1.303 344 R CB -0.825 29.603 30.300 0.212 0.000 1.191 344 R HN 0.670 nan 8.270 nan 0.000 0.533 345 E N -0.763 119.561 120.200 0.207 0.000 2.810 345 E HA 0.192 4.542 4.350 -0.000 0.000 0.214 345 E C -2.288 174.449 176.600 0.227 0.000 0.980 345 E CA -1.067 55.474 56.400 0.235 0.000 1.159 345 E CB 0.390 30.231 29.700 0.235 0.000 1.047 345 E HN 0.093 nan 8.360 nan 0.000 0.484 351 A N 1.301 123.637 122.820 -0.805 0.000 1.986 351 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 351 A C 1.533 178.849 177.584 -0.446 0.000 1.171 351 A CA 1.756 52.958 52.037 -1.391 0.000 0.640 351 A CB -0.648 17.443 19.000 -1.515 0.000 0.811 351 A HN 0.483 nan 8.150 nan 0.000 0.451 352 N N -0.538 118.094 118.700 -0.113 0.000 2.251 352 N HA -0.130 4.610 4.740 -0.000 0.000 0.181 352 N C 1.999 177.643 175.510 0.224 0.000 1.019 352 N CA 1.228 54.356 53.050 0.129 0.000 0.862 352 N CB -0.157 38.479 38.487 0.249 0.000 0.992 352 N HN 0.804 nan 8.380 nan 0.000 0.429 353 Q N 0.851 120.804 119.800 0.256 0.000 2.224 353 Q HA 0.037 4.377 4.340 -0.000 0.000 0.203 353 Q C 1.993 177.997 176.000 0.006 0.000 0.970 353 Q CA 1.044 56.925 55.803 0.129 0.000 0.865 353 Q CB -0.214 28.637 28.738 0.187 0.000 0.922 353 Q HN 0.173 nan 8.270 nan 0.000 0.445 354 A N 2.182 124.995 122.820 -0.012 0.000 1.873 354 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 354 A C 2.179 179.752 177.584 -0.018 0.000 1.193 354 A CA 1.624 53.661 52.037 -0.000 0.000 0.629 354 A CB -0.870 18.126 19.000 -0.006 0.000 0.826 354 A HN 0.383 nan 8.150 nan 0.000 0.447 355 L N -1.771 119.415 121.223 -0.062 0.000 2.042 355 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 355 L C 2.387 179.234 176.870 -0.038 0.000 1.076 355 L CA 2.192 56.972 54.840 -0.099 0.000 0.749 355 L CB -0.492 41.383 42.059 -0.307 0.000 0.893 355 L HN 0.579 nan 8.230 nan 0.000 0.432 356 Y N -0.574 119.581 120.300 -0.242 0.000 2.165 356 Y HA -0.352 4.198 4.550 -0.000 0.000 0.286 356 Y C 2.399 178.148 175.900 -0.251 0.000 1.155 356 Y CA 1.066 58.955 58.100 -0.352 0.000 1.164 356 Y CB -0.062 37.896 38.460 -0.836 0.000 0.978 356 Y HN 0.366 nan 8.280 nan 0.000 0.513 357 A N 0.148 122.851 122.820 -0.195 0.000 1.858 357 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 357 A C 1.961 179.484 177.584 -0.102 0.000 1.190 357 A CA 1.643 53.556 52.037 -0.206 0.000 0.617 357 A CB -0.864 18.053 19.000 -0.139 0.000 0.827 357 A HN 0.510 nan 8.150 nan 0.000 0.443 358 Q N -0.638 119.131 119.800 -0.052 0.000 2.576 358 Q HA -0.029 4.311 4.340 -0.000 0.000 0.218 358 Q C 0.152 176.144 176.000 -0.013 0.000 0.983 358 Q CA 0.687 56.478 55.803 -0.019 0.000 0.920 358 Q CB -0.244 28.495 28.738 0.003 0.000 0.973 358 Q HN 0.679 nan 8.270 nan 0.000 0.528 359 L N -0.489 120.722 121.223 -0.020 0.000 3.047 359 L HA 0.176 4.516 4.340 -0.000 0.000 0.242 359 L C 1.000 177.849 176.870 -0.034 0.000 1.315 359 L CA -0.310 54.525 54.840 -0.009 0.000 1.042 359 L CB 0.041 42.112 42.059 0.020 0.000 1.420 359 L HN 0.024 nan 8.230 nan 0.000 0.517 360 H N 1.340 120.336 119.070 -0.123 0.000 2.457 360 H HA -0.034 4.522 4.556 -0.000 0.000 0.294 360 H C -0.613 174.658 175.328 -0.096 0.000 1.064 360 H CA 1.373 57.334 56.048 -0.145 0.000 1.330 360 H CB -0.165 29.512 29.762 -0.143 0.000 1.395 360 H HN 0.237 nan 8.280 nan 0.000 0.541 361 P HA -0.178 nan 4.420 nan 0.000 0.213 361 P C 1.155 178.376 177.300 -0.131 0.000 1.170 361 P CA 1.395 64.438 63.100 -0.095 0.000 0.902 361 P CB 0.011 31.686 31.700 -0.043 0.000 0.789 362 I N -1.641 118.875 120.570 -0.090 0.000 3.251 362 I HA 0.011 4.181 4.170 -0.000 0.000 0.277 362 I C 1.752 177.829 176.117 -0.066 0.000 1.268 362 I CA 0.524 61.787 61.300 -0.062 0.000 1.449 362 I CB -1.474 36.513 38.000 -0.022 0.000 1.083 362 I HN 0.006 nan 8.210 nan 0.000 0.464 363 K N 1.360 121.690 120.400 -0.117 0.000 2.270 363 K HA -0.318 4.002 4.320 -0.000 0.000 0.208 363 K C 1.939 178.507 176.600 -0.054 0.000 1.041 363 K CA 2.464 58.689 56.287 -0.103 0.000 0.935 363 K CB -0.077 32.222 32.500 -0.335 0.000 0.731 363 K HN 0.469 nan 8.250 nan 0.000 0.482 364 E N 0.076 120.219 120.200 -0.096 0.000 2.076 364 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 364 E C 1.023 177.560 176.600 -0.105 0.000 0.979 364 E CA 1.285 57.629 56.400 -0.093 0.000 0.807 364 E CB 0.191 29.836 29.700 -0.092 0.000 0.761 364 E HN 0.279 nan 8.360 nan 0.000 0.454 365 S N -0.109 115.544 115.700 -0.079 0.000 2.602 365 S HA 0.296 4.766 4.470 -0.000 0.000 0.246 365 S C 0.248 174.814 174.600 -0.056 0.000 1.009 365 S CA -0.412 57.737 58.200 -0.085 0.000 1.052 365 S CB -0.178 63.005 63.200 -0.028 0.000 0.778 365 S HN 0.129 nan 8.310 nan 0.000 0.455 366 I N 2.139 122.674 120.570 -0.060 0.000 2.382 366 I HA 0.402 4.572 4.170 -0.000 0.000 0.285 366 I C -0.958 175.151 176.117 -0.013 0.000 1.007 366 I CA -0.996 60.323 61.300 0.032 0.000 1.142 366 I CB 1.216 39.272 38.000 0.093 0.000 1.289 366 I HN 0.143 nan 8.210 nan 0.000 0.453 367 F N 6.295 126.265 119.950 0.032 0.000 2.504 367 F HA 0.106 4.633 4.527 -0.000 0.000 0.369 367 F C 0.081 175.902 175.800 0.036 0.000 1.082 367 F CA 0.022 58.041 58.000 0.032 0.000 1.216 367 F CB 0.467 39.461 39.000 -0.009 0.000 1.108 367 F HN 0.482 nan 8.300 nan 0.000 0.554 368 W N 7.028 128.305 121.300 -0.037 0.000 2.475 368 W HA 0.483 5.143 4.660 -0.000 0.000 0.320 368 W C -1.411 175.058 176.519 -0.083 0.000 1.022 368 W CA -0.982 56.237 57.345 -0.210 0.000 1.240 368 W CB 1.139 30.248 29.460 -0.585 0.000 1.328 368 W HN 0.490 nan 8.180 nan 0.000 0.439 369 R N 4.538 124.645 120.500 -0.655 0.000 2.686 369 R HA 0.398 4.738 4.340 -0.000 0.000 0.286 369 R C -1.104 174.789 176.300 -0.678 0.000 0.969 369 R CA -1.093 54.708 56.100 -0.498 0.000 0.898 369 R CB 2.222 32.377 30.300 -0.242 0.000 1.183 369 R HN 0.552 nan 8.270 nan 0.000 0.456 370 Q N 1.453 120.998 119.800 -0.425 0.000 2.381 370 Q HA 0.378 4.718 4.340 -0.000 0.000 0.263 370 Q C -0.425 175.486 176.000 -0.149 0.000 1.030 370 Q CA -0.561 55.062 55.803 -0.300 0.000 0.772 370 Q CB 2.198 30.833 28.738 -0.171 0.000 1.232 370 Q HN 0.417 nan 8.270 nan 0.000 0.476 371 V N 0.107 119.946 119.914 -0.126 0.000 3.211 371 V HA 0.269 4.389 4.120 -0.000 0.000 0.319 371 V C 0.476 176.543 176.094 -0.045 0.000 1.096 371 V CA -0.775 61.479 62.300 -0.077 0.000 1.029 371 V CB 1.338 33.114 31.823 -0.077 0.000 1.137 371 V HN 0.632 nan 8.190 nan 0.000 0.453 372 D N 1.277 121.652 120.400 -0.042 0.000 2.332 372 D HA 0.166 4.805 4.640 -0.000 0.000 0.244 372 D C 0.754 177.022 176.300 -0.053 0.000 1.136 372 D CA 0.453 54.437 54.000 -0.027 0.000 0.884 372 D CB -0.166 40.615 40.800 -0.032 0.000 0.906 372 D HN 0.731 nan 8.370 nan 0.000 0.520 373 G N -0.611 108.153 108.800 -0.061 0.000 2.448 373 G HA2 0.495 4.455 3.960 -0.000 0.000 0.285 373 G HA3 0.495 4.455 3.960 -0.000 0.000 0.285 373 G C 0.605 175.487 174.900 -0.030 0.000 1.176 373 G CA -0.363 44.680 45.100 -0.095 0.000 0.852 373 G HN 0.125 nan 8.290 nan 0.000 0.530 374 G N -1.289 107.471 108.800 -0.066 0.000 2.543 374 G HA2 0.381 4.341 3.960 -0.000 0.000 0.267 374 G HA3 0.381 4.341 3.960 -0.000 0.000 0.267 374 G C -0.587 174.286 174.900 -0.045 0.000 1.406 374 G CA -0.698 44.409 45.100 0.010 0.000 1.048 374 G HN 0.710 nan 8.290 nan 0.000 0.548 375 H N 0.231 119.243 119.070 -0.097 0.000 3.014 375 H HA 0.424 4.980 4.556 -0.000 0.000 0.266 375 H C -1.135 173.845 175.328 -0.580 0.000 1.455 375 H CA -0.002 55.969 56.048 -0.127 0.000 1.402 375 H CB -0.006 29.784 29.762 0.046 0.000 1.626 375 H HN 0.262 nan 8.280 nan 0.000 0.520 376 D N 2.716 122.303 120.400 -1.355 0.000 2.861 376 D HA 0.148 4.788 4.640 -0.000 0.000 0.216 376 D C 0.768 176.164 176.300 -1.507 0.000 1.323 376 D CA -0.003 53.318 54.000 -1.131 0.000 0.917 376 D CB 1.235 41.716 40.800 -0.531 0.000 1.582 376 D HN 0.519 nan 8.370 nan 0.000 0.576 377 A N 3.278 125.492 122.820 -1.010 0.000 1.958 377 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 377 A C 1.918 179.277 177.584 -0.376 0.000 1.178 377 A CA 1.375 53.109 52.037 -0.506 0.000 0.642 377 A CB -0.297 18.359 19.000 -0.574 0.000 0.816 377 A HN 0.531 nan 8.150 nan 0.000 0.453 378 L N -0.772 120.211 121.223 -0.400 0.000 2.141 378 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 378 L C 2.446 179.095 176.870 -0.368 0.000 1.094 378 L CA 1.813 56.415 54.840 -0.396 0.000 0.763 378 L CB -0.660 41.266 42.059 -0.221 0.000 0.908 378 L HN 0.521 nan 8.230 nan 0.000 0.437 379 C N -2.250 116.834 119.300 -0.359 0.000 2.518 379 C HA -0.100 4.360 4.460 -0.000 0.000 0.279 379 C C 2.388 177.326 174.990 -0.087 0.000 1.279 379 C CA -0.219 58.640 59.018 -0.264 0.000 1.703 379 C CB -1.251 26.324 27.740 -0.276 0.000 2.072 379 C HN 0.690 nan 8.230 nan 0.000 0.487 380 W N 2.466 123.675 121.300 -0.152 0.000 2.276 380 W HA -0.251 4.409 4.660 -0.000 0.000 0.307 380 W C 2.511 178.960 176.519 -0.117 0.000 1.240 380 W CA 2.099 59.382 57.345 -0.103 0.000 1.249 380 W CB -1.249 28.210 29.460 -0.001 0.000 1.140 380 W HN 0.527 nan 8.180 nan 0.000 0.519 381 R N -0.530 120.038 120.500 0.112 0.000 2.096 381 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 381 R C 2.503 178.826 176.300 0.039 0.000 1.127 381 R CA 1.832 57.901 56.100 -0.051 0.000 0.968 381 R CB -1.610 28.319 30.300 -0.619 0.000 0.861 381 R HN 0.087 nan 8.270 nan 0.000 0.440 382 G N 0.432 109.177 108.800 -0.091 0.000 2.404 382 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.215 382 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.215 382 G C 1.620 176.539 174.900 0.032 0.000 1.174 382 G CA 0.506 45.634 45.100 0.046 0.000 0.780 382 G HN 0.467 nan 8.290 nan 0.000 0.537 383 G N 0.466 109.259 108.800 -0.011 0.000 2.440 383 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.218 383 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.218 383 G C 1.042 175.881 174.900 -0.102 0.000 1.154 383 G CA 0.272 45.341 45.100 -0.052 0.000 0.767 383 G HN 0.392 nan 8.290 nan 0.000 0.552 387 G N 1.999 110.673 108.800 -0.209 0.000 2.505 387 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 387 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 387 G C 1.101 175.798 174.900 -0.338 0.000 1.145 387 G CA 1.435 46.360 45.100 -0.290 0.000 0.761 387 G HN 0.254 nan 8.290 nan 0.000 0.571 388 L N 0.641 121.687 121.223 -0.295 0.000 2.017 388 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 388 L C 2.918 179.658 176.870 -0.217 0.000 1.073 388 L CA 1.009 55.625 54.840 -0.374 0.000 0.745 388 L CB -0.904 41.020 42.059 -0.224 0.000 0.894 388 L HN 0.256 nan 8.230 nan 0.000 0.432 389 I N -0.404 120.123 120.570 -0.072 0.000 2.118 389 I HA -0.357 3.813 4.170 -0.000 0.000 0.241 389 I C 2.105 178.198 176.117 -0.039 0.000 1.070 389 I CA 1.532 62.848 61.300 0.027 0.000 1.327 389 I CB -0.445 37.551 38.000 -0.006 0.000 1.034 389 I HN 0.266 nan 8.210 nan 0.000 0.405 390 D N 0.481 120.736 120.400 -0.241 0.000 2.097 390 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 390 D C 2.141 178.229 176.300 -0.354 0.000 0.989 390 D CA 1.093 54.826 54.000 -0.444 0.000 0.827 390 D CB -0.287 39.906 40.800 -1.013 0.000 0.966 390 D HN 0.113 nan 8.370 nan 0.000 0.456 391 L N -0.361 120.641 121.223 -0.367 0.000 2.131 391 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 391 L C 1.532 178.364 176.870 -0.062 0.000 1.092 391 L CA 0.979 55.666 54.840 -0.255 0.000 0.759 391 L CB -0.985 40.801 42.059 -0.455 0.000 0.903 391 L HN 0.271 nan 8.230 nan 0.000 0.435 392 W N -0.666 120.627 121.300 -0.011 0.000 3.325 392 W HA 0.167 4.827 4.660 -0.000 0.000 0.370 392 W C 2.075 178.651 176.519 0.095 0.000 1.169 392 W CA -0.577 56.774 57.345 0.010 0.000 1.874 392 W CB -0.510 28.951 29.460 0.001 0.000 1.076 392 W HN 0.270 nan 8.180 nan 0.000 0.684 393 Q N 1.702 121.679 119.800 0.295 0.000 1.998 393 Q HA -0.192 4.148 4.340 -0.000 0.000 0.209 393 Q C -0.441 175.708 176.000 0.248 0.000 1.002 393 Q CA 2.532 58.515 55.803 0.299 0.000 0.858 393 Q CB -1.552 27.325 28.738 0.232 0.000 0.932 393 Q HN -0.003 nan 8.270 nan 0.000 0.416 394 P HA -0.215 nan 4.420 nan 0.000 0.221 394 P C 0.638 177.844 177.300 -0.156 0.000 1.153 394 P CA 1.125 64.274 63.100 0.082 0.000 0.858 394 P CB -0.059 31.710 31.700 0.115 0.000 0.783 395 L N -3.334 117.736 121.223 -0.256 0.000 2.478 395 L HA 0.004 4.344 4.340 -0.000 0.000 0.223 395 L C 0.867 177.190 176.870 -0.911 0.000 1.140 395 L CA 1.118 55.565 54.840 -0.654 0.000 0.842 395 L CB -1.071 40.613 42.059 -0.625 0.000 0.953 395 L HN -0.008 nan 8.230 nan 0.000 0.452 396 F N -0.131 119.664 119.950 -0.258 0.000 2.611 396 F HA 0.200 4.727 4.527 -0.000 0.000 0.321 396 F C 1.062 176.821 175.800 -0.068 0.000 1.208 396 F CA -1.187 56.724 58.000 -0.149 0.000 1.249 396 F CB -0.684 38.289 39.000 -0.044 0.000 1.514 396 F HN 0.123 nan 8.300 nan 0.000 0.561 397 H N 0.000 119.140 119.070 0.117 0.000 2.539 397 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 397 H CA 0.000 56.101 56.048 0.089 0.000 1.023 397 H CB 0.000 29.792 29.762 0.049 0.000 1.292 397 H HN 0.000 nan 8.280 nan 0.000 0.496