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 3gvq_1_A DATA FIRST_RESID 11 DATA SEQUENCE FPELKNDTFL RAAWGEETDY TPVWCMRQAG RYLPEFRETR AAQDFFSTCR DATA SEQUENCE SPEACCELTL QPLRRFPLDA AIIFSDILVV PQALGMEVTM VPGKGPSFPE DATA SEQUENCE PLREEQDLER LRDPEVVASE LGYVFQAITL TRQRLAGRVP LIGFAGAPWT DATA SEQUENCE LMTYMVEGGG SSTMAQAKRW LYQRPQASHQ LLRILTDALV PYLVGQVVAG DATA SEQUENCE AQALQLFESH AGHLGPQLFN KFALPYIRDV AKQVKARLRE AGLAPVPMII DATA SEQUENCE FAKDGHFALE ELAQAGYEVV GLDWTVAPKK ARECVGKTVT LQGNLDPCAL DATA SEQUENCE YASEEEIGQL VKQMLDDFGP HRYIANLGHG LYPDMDPEHV GAFVDAVHKH DATA SEQUENCE SRLLRQ 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.806 175.800 0.010 0.000 0.967 11 F CA 0.000 58.005 58.000 0.009 0.000 1.383 11 F CB 0.000 39.006 39.000 0.010 0.000 1.145 12 P HA 0.088 nan 4.420 nan 0.000 0.267 12 P C -0.760 176.604 177.300 0.108 0.000 1.200 12 P CA -0.324 62.852 63.100 0.126 0.000 0.772 12 P CB 0.650 32.410 31.700 0.101 0.000 0.855 13 E N 1.302 121.546 120.200 0.074 0.000 2.324 13 E HA 0.055 4.405 4.350 -0.000 0.000 0.271 13 E C -0.371 176.260 176.600 0.052 0.000 1.028 13 E CA -0.634 55.802 56.400 0.061 0.000 0.890 13 E CB 0.350 30.077 29.700 0.045 0.000 1.004 13 E HN 0.280 nan 8.360 nan 0.000 0.431 14 L N 5.587 126.840 121.223 0.050 0.000 2.559 14 L HA -0.057 4.283 4.340 -0.000 0.000 0.274 14 L C 0.747 177.643 176.870 0.043 0.000 1.205 14 L CA 0.967 55.833 54.840 0.043 0.000 0.907 14 L CB 0.455 42.542 42.059 0.046 0.000 1.153 14 L HN 0.556 nan 8.230 nan 0.000 0.490 15 K N 2.775 123.200 120.400 0.042 0.000 2.063 15 K HA 0.066 4.386 4.320 -0.000 0.000 0.204 15 K C 0.323 176.954 176.600 0.051 0.000 1.039 15 K CA 0.558 56.870 56.287 0.041 0.000 0.957 15 K CB 0.021 32.543 32.500 0.036 0.000 0.764 15 K HN 0.571 nan 8.250 nan 0.000 0.447 16 N N 1.972 120.708 118.700 0.059 0.000 2.457 16 N HA -0.013 4.727 4.740 -0.000 0.000 0.250 16 N C -1.120 174.442 175.510 0.087 0.000 0.982 16 N CA -0.263 52.835 53.050 0.081 0.000 0.941 16 N CB 1.042 39.588 38.487 0.098 0.000 1.120 16 N HN 0.134 nan 8.380 nan 0.000 0.505 17 D N 1.710 122.160 120.400 0.082 0.000 2.501 17 D HA 0.071 4.710 4.640 -0.000 0.000 0.224 17 D C 0.454 176.798 176.300 0.073 0.000 1.202 17 D CA -0.116 53.939 54.000 0.092 0.000 0.829 17 D CB -0.177 40.671 40.800 0.081 0.000 1.023 17 D HN 0.335 nan 8.370 nan 0.000 0.499 18 T N 0.481 115.059 114.554 0.041 0.000 2.653 18 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 18 T C 1.350 176.033 174.700 -0.029 0.000 1.035 18 T CA 1.583 63.640 62.100 -0.072 0.000 1.154 18 T CB -0.636 68.069 68.868 -0.271 0.000 0.862 18 T HN 0.315 nan 8.240 nan 0.000 0.441 19 F N 1.795 121.701 119.950 -0.074 0.000 2.091 19 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 19 F C 1.932 177.696 175.800 -0.059 0.000 1.103 19 F CA 1.260 59.224 58.000 -0.060 0.000 1.228 19 F CB -0.523 38.447 39.000 -0.050 0.000 0.984 19 F HN 0.075 nan 8.300 nan 0.000 0.477 20 L N -0.161 121.009 121.223 -0.087 0.000 2.046 20 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 20 L C 2.676 179.521 176.870 -0.043 0.000 1.077 20 L CA 1.467 56.215 54.840 -0.154 0.000 0.747 20 L CB -0.728 41.400 42.059 0.115 0.000 0.896 20 L HN 0.048 nan 8.230 nan 0.000 0.432 21 R N 0.071 120.587 120.500 0.026 0.000 2.073 21 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 21 R C 2.494 178.797 176.300 0.004 0.000 1.134 21 R CA 1.487 57.628 56.100 0.069 0.000 0.952 21 R CB -0.579 29.735 30.300 0.024 0.000 0.850 21 R HN 0.359 nan 8.270 nan 0.000 0.433 22 A N 1.022 123.780 122.820 -0.102 0.000 1.908 22 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 22 A C 2.341 179.821 177.584 -0.174 0.000 1.181 22 A CA 1.817 53.781 52.037 -0.122 0.000 0.627 22 A CB -0.751 18.152 19.000 -0.162 0.000 0.818 22 A HN 0.435 nan 8.150 nan 0.000 0.445 23 A N -1.670 120.931 122.820 -0.366 0.000 1.933 23 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 23 A C 1.867 179.226 177.584 -0.376 0.000 1.175 23 A CA 1.211 52.949 52.037 -0.499 0.000 0.628 23 A CB -0.812 17.661 19.000 -0.878 0.000 0.814 23 A HN 0.768 nan 8.150 nan 0.000 0.444 24 W N -1.429 119.788 121.300 -0.138 0.000 3.180 24 W HA 0.358 5.018 4.660 -0.000 0.000 0.254 24 W C 1.611 178.100 176.519 -0.050 0.000 1.318 24 W CA 0.659 57.956 57.345 -0.080 0.000 1.608 24 W CB 0.299 29.716 29.460 -0.071 0.000 1.124 24 W HN 0.563 nan 8.180 nan 0.000 0.694 25 G N 0.201 109.079 108.800 0.130 0.000 2.179 25 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 25 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 25 G C 0.007 174.959 174.900 0.087 0.000 0.990 25 G CA -0.474 44.684 45.100 0.097 0.000 0.646 25 G HN 0.307 nan 8.290 nan 0.000 0.517 26 E N 0.500 120.754 120.200 0.091 0.000 2.343 26 E HA 0.475 4.825 4.350 -0.000 0.000 0.269 26 E C 0.260 176.895 176.600 0.057 0.000 1.047 26 E CA -0.551 55.888 56.400 0.065 0.000 0.874 26 E CB 0.874 30.609 29.700 0.059 0.000 1.033 26 E HN 0.280 nan 8.360 nan 0.000 0.409 27 E N 1.241 121.478 120.200 0.063 0.000 2.398 27 E HA 0.055 4.405 4.350 -0.000 0.000 0.263 27 E C -0.763 175.852 176.600 0.026 0.000 1.046 27 E CA 0.213 56.659 56.400 0.076 0.000 0.908 27 E CB 0.624 30.379 29.700 0.093 0.000 0.963 27 E HN 0.515 nan 8.360 nan 0.000 0.431 28 T N 0.186 114.741 114.554 0.001 0.000 2.865 28 T HA 0.338 4.688 4.350 -0.000 0.000 0.294 28 T C 0.021 174.700 174.700 -0.035 0.000 1.119 28 T CA -0.892 61.173 62.100 -0.058 0.000 1.007 28 T CB 1.155 69.921 68.868 -0.169 0.000 1.225 28 T HN 0.251 nan 8.240 nan 0.000 0.515 29 D N -0.271 120.118 120.400 -0.019 0.000 2.347 29 D HA 0.176 4.815 4.640 -0.000 0.000 0.213 29 D C 0.202 176.607 176.300 0.175 0.000 0.985 29 D CA 1.175 55.226 54.000 0.086 0.000 0.879 29 D CB -0.021 40.868 40.800 0.148 0.000 0.919 29 D HN 0.718 nan 8.370 nan 0.000 0.526 30 Y N -3.283 117.013 120.300 -0.007 0.000 2.677 30 Y HA 0.415 4.965 4.550 -0.000 0.000 0.334 30 Y C -0.774 175.138 175.900 0.020 0.000 1.196 30 Y CA -1.318 56.781 58.100 -0.002 0.000 1.059 30 Y CB 0.575 39.021 38.460 -0.024 0.000 1.315 30 Y HN -0.441 nan 8.280 nan 0.000 0.455 31 T N 5.216 119.836 114.554 0.110 0.000 2.794 31 T HA 0.338 4.688 4.350 -0.000 0.000 0.296 31 T C -2.579 172.147 174.700 0.043 0.000 0.949 31 T CA -1.049 61.043 62.100 -0.012 0.000 1.101 31 T CB 0.633 69.520 68.868 0.031 0.000 0.905 31 T HN 0.404 nan 8.240 nan 0.000 0.516 32 P HA 0.381 nan 4.420 nan 0.000 0.274 32 P C -0.915 176.453 177.300 0.113 0.000 1.231 32 P CA -0.439 62.717 63.100 0.094 0.000 0.790 32 P CB 1.110 32.855 31.700 0.076 0.000 0.951 33 V N 4.294 124.331 119.914 0.206 0.000 2.808 33 V HA 0.785 4.905 4.120 -0.000 0.000 0.308 33 V C -1.622 174.602 176.094 0.217 0.000 1.099 33 V CA -0.544 61.791 62.300 0.059 0.000 0.920 33 V CB 1.723 33.404 31.823 -0.236 0.000 1.014 33 V HN 0.804 nan 8.190 nan 0.000 0.425 34 W N 4.456 125.737 121.300 -0.031 0.000 3.047 34 W HA 0.787 5.447 4.660 -0.000 0.000 0.341 34 W C -2.053 174.464 176.519 -0.004 0.000 1.225 34 W CA -1.247 56.074 57.345 -0.039 0.000 1.150 34 W CB 1.154 30.530 29.460 -0.139 0.000 1.470 34 W HN 0.656 nan 8.180 nan 0.000 0.578 35 C N 2.592 121.900 119.300 0.012 0.000 2.369 35 C HA 0.484 4.944 4.460 -0.000 0.000 0.322 35 C C 0.723 175.552 174.990 -0.267 0.000 1.258 35 C CA -0.573 58.275 59.018 -0.283 0.000 1.487 35 C CB 0.642 28.267 27.740 -0.191 0.000 2.165 35 C HN 0.609 nan 8.230 nan 0.000 0.483 36 M N 2.627 121.889 119.600 -0.562 0.000 2.250 36 M HA 0.096 4.576 4.480 -0.000 0.000 0.337 36 M C 1.060 177.263 176.300 -0.163 0.000 1.161 36 M CA 0.970 56.103 55.300 -0.277 0.000 1.088 36 M CB 0.158 32.543 32.600 -0.357 0.000 1.639 36 M HN 0.754 nan 8.290 nan 0.000 0.447 37 R N 0.660 121.129 120.500 -0.052 0.000 3.627 37 R HA -0.259 4.080 4.340 -0.000 0.000 0.281 37 R C 1.268 177.610 176.300 0.069 0.000 1.140 37 R CA 1.069 57.156 56.100 -0.021 0.000 0.761 37 R CB -1.792 28.449 30.300 -0.099 0.000 1.181 37 R HN 0.861 nan 8.270 nan 0.000 0.472 38 Q N -0.589 119.299 119.800 0.147 0.000 2.234 38 Q HA -0.049 4.291 4.340 -0.000 0.000 0.206 38 Q C 0.681 176.908 176.000 0.378 0.000 0.980 38 Q CA 1.613 57.580 55.803 0.273 0.000 0.869 38 Q CB 0.185 29.095 28.738 0.287 0.000 0.912 38 Q HN 0.430 nan 8.270 nan 0.000 0.436 39 A N 1.007 123.994 122.820 0.279 0.000 2.366 39 A HA 0.647 4.967 4.320 -0.000 0.000 0.322 39 A C -0.007 177.582 177.584 0.009 0.000 1.397 39 A CA 0.165 52.352 52.037 0.251 0.000 0.984 39 A CB 0.438 19.658 19.000 0.367 0.000 1.149 39 A HN 0.421 nan 8.150 nan 0.000 0.540 40 G N 0.747 109.257 108.800 -0.483 0.000 2.608 40 G HA2 0.416 4.376 3.960 -0.000 0.000 0.291 40 G HA3 0.416 4.376 3.960 -0.000 0.000 0.291 40 G C 0.254 174.441 174.900 -1.189 0.000 1.425 40 G CA -0.831 43.656 45.100 -1.022 0.000 0.787 40 G HN 0.494 nan 8.290 nan 0.000 0.484 41 R N -0.720 119.277 120.500 -0.838 0.000 2.249 41 R HA -0.144 4.196 4.340 -0.000 0.000 0.230 41 R C 2.060 178.296 176.300 -0.108 0.000 1.121 41 R CA 1.801 57.713 56.100 -0.314 0.000 0.997 41 R CB -0.435 29.838 30.300 -0.045 0.000 0.867 41 R HN 0.722 nan 8.270 nan 0.000 0.465 42 Y N -0.234 119.975 120.300 -0.152 0.000 2.483 42 Y HA 0.015 4.565 4.550 -0.000 0.000 0.291 42 Y C 0.521 176.415 175.900 -0.010 0.000 1.143 42 Y CA 0.187 58.255 58.100 -0.053 0.000 1.289 42 Y CB -0.163 38.265 38.460 -0.054 0.000 0.983 42 Y HN -0.124 nan 8.280 nan 0.000 0.556 43 L N 2.808 123.582 121.223 -0.750 0.000 2.265 43 L HA 0.238 4.578 4.340 -0.000 0.000 0.288 43 L C -1.516 175.253 176.870 -0.168 0.000 1.058 43 L CA -2.139 52.390 54.840 -0.518 0.000 0.809 43 L CB 1.349 43.069 42.059 -0.566 0.000 1.179 43 L HN -0.075 nan 8.230 nan 0.000 0.429 44 P HA -0.215 nan 4.420 nan 0.000 0.215 44 P C 1.241 178.515 177.300 -0.043 0.000 1.153 44 P CA 1.073 64.144 63.100 -0.047 0.000 0.853 44 P CB 0.122 31.796 31.700 -0.043 0.000 0.788 45 E N -0.652 119.509 120.200 -0.066 0.000 2.265 45 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 45 E C 1.958 178.509 176.600 -0.081 0.000 0.996 45 E CA 0.955 57.309 56.400 -0.078 0.000 0.832 45 E CB -1.344 28.302 29.700 -0.091 0.000 0.756 45 E HN 0.291 nan 8.360 nan 0.000 0.491 46 F N 2.154 121.977 119.950 -0.213 0.000 2.084 46 F HA -0.031 4.496 4.527 -0.000 0.000 0.296 46 F C 2.632 178.298 175.800 -0.224 0.000 1.111 46 F CA 1.414 59.266 58.000 -0.246 0.000 1.224 46 F CB -0.012 38.829 39.000 -0.264 0.000 0.991 46 F HN -0.178 nan 8.300 nan 0.000 0.471 47 R N 0.339 120.934 120.500 0.157 0.000 2.096 47 R HA -0.252 4.087 4.340 -0.000 0.000 0.240 47 R C 2.306 178.545 176.300 -0.101 0.000 1.139 47 R CA 2.055 58.181 56.100 0.043 0.000 0.952 47 R CB -0.766 29.571 30.300 0.060 0.000 0.854 47 R HN 0.479 nan 8.270 nan 0.000 0.436 48 E N 0.087 120.229 120.200 -0.098 0.000 2.033 48 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 48 E C 1.829 178.328 176.600 -0.167 0.000 1.011 48 E CA 2.160 58.492 56.400 -0.113 0.000 0.815 48 E CB -0.055 29.590 29.700 -0.092 0.000 0.755 48 E HN 0.423 nan 8.360 nan 0.000 0.451 49 T N -1.514 112.899 114.554 -0.235 0.000 3.085 49 T HA 0.032 4.382 4.350 -0.000 0.000 0.263 49 T C 1.764 176.257 174.700 -0.345 0.000 1.127 49 T CA 0.180 62.119 62.100 -0.268 0.000 1.103 49 T CB -0.006 68.698 68.868 -0.274 0.000 0.921 49 T HN 0.014 nan 8.240 nan 0.000 0.510 50 R N 0.752 120.991 120.500 -0.434 0.000 2.127 50 R HA 0.346 4.686 4.340 -0.000 0.000 0.217 50 R C 2.761 178.913 176.300 -0.247 0.000 1.074 50 R CA 1.063 56.899 56.100 -0.440 0.000 0.991 50 R CB -0.975 28.962 30.300 -0.604 0.000 0.895 50 R HN 0.549 nan 8.270 nan 0.000 0.450 51 A N 0.963 123.676 122.820 -0.179 0.000 2.178 51 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 51 A C 2.049 179.578 177.584 -0.091 0.000 1.157 51 A CA 1.509 53.482 52.037 -0.106 0.000 0.689 51 A CB -0.281 18.672 19.000 -0.078 0.000 0.787 51 A HN 0.302 nan 8.150 nan 0.000 0.465 52 A N -1.745 121.007 122.820 -0.113 0.000 2.208 52 A HA 0.276 4.596 4.320 -0.000 0.000 0.209 52 A C 1.280 178.819 177.584 -0.077 0.000 1.161 52 A CA 1.122 53.105 52.037 -0.089 0.000 0.782 52 A CB -0.000 18.941 19.000 -0.098 0.000 0.816 52 A HN 0.645 nan 8.150 nan 0.000 0.477 53 Q N -1.209 118.540 119.800 -0.085 0.000 2.962 53 Q HA 0.483 4.823 4.340 -0.000 0.000 0.371 53 Q C -1.329 174.650 176.000 -0.036 0.000 0.809 53 Q CA -0.170 55.597 55.803 -0.060 0.000 0.839 53 Q CB 0.655 29.349 28.738 -0.073 0.000 2.192 53 Q HN 0.469 nan 8.270 nan 0.000 0.337 54 D N -1.823 118.569 120.400 -0.012 0.000 2.596 54 D HA 0.259 4.899 4.640 -0.000 0.000 0.262 54 D C -0.355 175.999 176.300 0.089 0.000 1.210 54 D CA -0.764 53.264 54.000 0.045 0.000 0.873 54 D CB 0.364 41.216 40.800 0.087 0.000 1.408 54 D HN 0.276 nan 8.370 nan 0.000 0.441 55 F N -0.435 119.548 119.950 0.055 0.000 2.032 55 F HA -0.177 4.350 4.527 -0.000 0.000 0.297 55 F C 1.555 177.309 175.800 -0.076 0.000 1.125 55 F CA 1.575 59.584 58.000 0.015 0.000 1.202 55 F CB -0.099 38.929 39.000 0.047 0.000 0.958 55 F HN 0.321 nan 8.300 nan 0.000 0.491 56 F N -1.327 118.787 119.950 0.274 0.000 2.743 56 F HA -0.007 4.520 4.527 -0.000 0.000 0.297 56 F C 2.443 178.245 175.800 0.004 0.000 1.131 56 F CA 0.826 58.906 58.000 0.134 0.000 1.426 56 F CB -0.568 38.463 39.000 0.052 0.000 1.116 56 F HN -0.066 nan 8.300 nan 0.000 0.583 57 S N -0.488 115.290 115.700 0.130 0.000 2.387 57 S HA -0.139 4.331 4.470 -0.000 0.000 0.226 57 S C 2.128 176.712 174.600 -0.027 0.000 1.026 57 S CA 1.933 60.140 58.200 0.012 0.000 0.972 57 S CB -0.420 62.787 63.200 0.012 0.000 0.814 57 S HN 0.326 nan 8.310 nan 0.000 0.477 58 T N 1.293 115.838 114.554 -0.014 0.000 2.708 58 T HA -0.122 4.227 4.350 -0.000 0.000 0.266 58 T C 1.978 176.711 174.700 0.055 0.000 1.037 58 T CA 1.499 63.580 62.100 -0.032 0.000 1.146 58 T CB -1.027 67.773 68.868 -0.114 0.000 0.865 58 T HN 0.525 nan 8.240 nan 0.000 0.435 59 C N 1.179 120.544 119.300 0.108 0.000 2.403 59 C HA -0.053 4.407 4.460 -0.000 0.000 0.279 59 C C 2.732 177.805 174.990 0.138 0.000 1.269 59 C CA 0.630 59.763 59.018 0.191 0.000 1.774 59 C CB -1.115 26.730 27.740 0.175 0.000 1.993 59 C HN 0.483 nan 8.230 nan 0.000 0.496 60 R N 0.277 120.671 120.500 -0.176 0.000 2.299 60 R HA 0.010 4.350 4.340 -0.000 0.000 0.197 60 R C 0.827 177.076 176.300 -0.084 0.000 0.971 60 R CA 0.223 56.066 56.100 -0.428 0.000 1.030 60 R CB 0.028 30.011 30.300 -0.528 0.000 0.932 60 R HN 0.381 nan 8.270 nan 0.000 0.477 61 S N 0.595 116.298 115.700 0.005 0.000 2.461 61 S HA 0.267 4.737 4.470 -0.000 0.000 0.322 61 S C -2.008 172.638 174.600 0.076 0.000 1.063 61 S CA -2.061 56.155 58.200 0.027 0.000 1.120 61 S CB 1.238 64.433 63.200 -0.010 0.000 0.968 61 S HN -0.135 nan 8.310 nan 0.000 0.467 62 P HA -0.150 nan 4.420 nan 0.000 0.216 62 P C 1.370 178.713 177.300 0.073 0.000 1.157 62 P CA 1.157 64.322 63.100 0.108 0.000 0.880 62 P CB 0.179 31.941 31.700 0.103 0.000 0.791 63 E N -0.701 119.524 120.200 0.043 0.000 2.077 63 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 63 E C 2.070 178.667 176.600 -0.004 0.000 0.989 63 E CA 1.485 57.895 56.400 0.018 0.000 0.800 63 E CB -0.787 28.916 29.700 0.005 0.000 0.746 63 E HN 0.171 nan 8.360 nan 0.000 0.452 64 A N 0.765 123.576 122.820 -0.016 0.000 1.898 64 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 64 A C 2.620 180.171 177.584 -0.055 0.000 1.181 64 A CA 1.357 53.354 52.037 -0.066 0.000 0.620 64 A CB -0.836 18.111 19.000 -0.089 0.000 0.819 64 A HN 0.332 nan 8.150 nan 0.000 0.442 65 C N -1.701 117.628 119.300 0.049 0.000 2.446 65 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 65 C C 2.957 178.013 174.990 0.111 0.000 1.275 65 C CA 0.563 59.674 59.018 0.155 0.000 1.727 65 C CB -1.676 26.212 27.740 0.247 0.000 2.010 65 C HN 0.788 nan 8.230 nan 0.000 0.486 66 C N 1.322 120.666 119.300 0.074 0.000 2.413 66 C HA -0.164 4.296 4.460 -0.000 0.000 0.276 66 C C 2.773 177.774 174.990 0.019 0.000 1.236 66 C CA 2.198 61.248 59.018 0.054 0.000 1.735 66 C CB -1.356 26.411 27.740 0.045 0.000 2.031 66 C HN 0.681 nan 8.230 nan 0.000 0.474 67 E N 0.579 120.766 120.200 -0.021 0.000 2.058 67 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 67 E C 2.026 178.578 176.600 -0.079 0.000 0.997 67 E CA 1.884 58.250 56.400 -0.058 0.000 0.801 67 E CB -0.648 28.998 29.700 -0.090 0.000 0.746 67 E HN 0.727 nan 8.360 nan 0.000 0.450 68 L N 0.042 121.183 121.223 -0.138 0.000 2.042 68 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 68 L C 2.533 179.412 176.870 0.016 0.000 1.076 68 L CA 1.760 56.494 54.840 -0.176 0.000 0.749 68 L CB -0.832 40.907 42.059 -0.534 0.000 0.893 68 L HN 0.228 nan 8.230 nan 0.000 0.432 69 T N 0.348 114.952 114.554 0.083 0.000 2.684 69 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 69 T C 1.948 176.693 174.700 0.075 0.000 1.036 69 T CA 1.342 63.517 62.100 0.125 0.000 1.148 69 T CB -0.259 68.683 68.868 0.124 0.000 0.863 69 T HN 0.214 nan 8.240 nan 0.000 0.436 70 L N 0.536 121.780 121.223 0.035 0.000 2.109 70 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 70 L C 2.875 179.746 176.870 0.000 0.000 1.086 70 L CA 1.062 55.910 54.840 0.014 0.000 0.760 70 L CB -0.662 41.396 42.059 -0.002 0.000 0.910 70 L HN 0.314 nan 8.230 nan 0.000 0.437 71 Q N 0.273 120.066 119.800 -0.012 0.000 2.047 71 Q HA -0.237 4.102 4.340 -0.000 0.000 0.211 71 Q C -0.481 175.486 176.000 -0.055 0.000 1.005 71 Q CA 2.429 58.206 55.803 -0.043 0.000 0.866 71 Q CB -1.250 27.459 28.738 -0.049 0.000 0.938 71 Q HN 0.435 nan 8.270 nan 0.000 0.414 72 P HA -0.163 nan 4.420 nan 0.000 0.218 72 P C 1.157 178.474 177.300 0.028 0.000 1.148 72 P CA 1.112 64.255 63.100 0.071 0.000 0.822 72 P CB -0.056 31.812 31.700 0.281 0.000 0.784 73 L N -0.280 120.969 121.223 0.044 0.000 2.275 73 L HA -0.066 4.274 4.340 -0.000 0.000 0.215 73 L C 2.558 179.411 176.870 -0.028 0.000 1.119 73 L CA 1.577 56.440 54.840 0.040 0.000 0.790 73 L CB -1.075 41.007 42.059 0.039 0.000 0.919 73 L HN 0.070 nan 8.230 nan 0.000 0.443 74 R N -0.931 119.518 120.500 -0.085 0.000 2.153 74 R HA -0.030 4.310 4.340 -0.000 0.000 0.218 74 R C 2.184 178.364 176.300 -0.200 0.000 1.072 74 R CA 0.393 56.426 56.100 -0.112 0.000 0.990 74 R CB -0.012 30.227 30.300 -0.102 0.000 0.889 74 R HN 0.345 nan 8.270 nan 0.000 0.452 75 R N -0.051 120.211 120.500 -0.397 0.000 2.090 75 R HA 0.125 4.465 4.340 -0.000 0.000 0.219 75 R C 0.063 175.993 176.300 -0.617 0.000 1.100 75 R CA 0.813 56.467 56.100 -0.743 0.000 0.991 75 R CB 0.334 29.702 30.300 -1.553 0.000 0.893 75 R HN 0.065 nan 8.270 nan 0.000 0.443 76 F N 0.648 120.635 119.950 0.062 0.000 2.565 76 F HA 0.340 4.867 4.527 -0.000 0.000 0.313 76 F C -2.026 173.818 175.800 0.074 0.000 1.091 76 F CA -2.794 55.247 58.000 0.068 0.000 0.915 76 F CB 1.879 40.929 39.000 0.083 0.000 1.208 76 F HN -0.204 nan 8.300 nan 0.000 0.453 77 P HA 0.123 nan 4.420 nan 0.000 0.226 77 P C -0.505 176.963 177.300 0.281 0.000 1.783 77 P CA 0.266 63.494 63.100 0.213 0.000 0.980 77 P CB -0.176 31.633 31.700 0.182 0.000 1.967 78 L N 1.211 122.582 121.223 0.247 0.000 2.426 78 L HA 0.125 4.465 4.340 -0.000 0.000 0.271 78 L C 1.553 178.541 176.870 0.198 0.000 1.169 78 L CA 0.176 55.154 54.840 0.230 0.000 0.836 78 L CB 0.399 42.594 42.059 0.226 0.000 1.112 78 L HN 0.058 nan 8.230 nan 0.000 0.465 79 D N 2.042 122.576 120.400 0.223 0.000 2.340 79 D HA 0.223 4.863 4.640 -0.000 0.000 0.220 79 D C 0.170 176.470 176.300 -0.000 0.000 1.039 79 D CA 0.377 54.490 54.000 0.188 0.000 0.866 79 D CB 0.695 41.678 40.800 0.306 0.000 0.913 79 D HN 0.551 nan 8.370 nan 0.000 0.523 80 A N 0.112 122.854 122.820 -0.130 0.000 2.604 80 A HA 0.668 4.988 4.320 -0.000 0.000 0.295 80 A C -1.395 176.012 177.584 -0.294 0.000 1.067 80 A CA -0.577 51.207 52.037 -0.422 0.000 0.683 80 A CB 1.487 19.762 19.000 -1.209 0.000 1.281 80 A HN 0.027 nan 8.150 nan 0.000 0.407 81 A N 0.656 123.303 122.820 -0.288 0.000 2.312 81 A HA 0.802 5.122 4.320 -0.000 0.000 0.328 81 A C -0.508 176.900 177.584 -0.292 0.000 1.158 81 A CA -0.415 51.516 52.037 -0.176 0.000 0.821 81 A CB 0.658 19.609 19.000 -0.082 0.000 1.170 81 A HN 1.596 nan 8.150 nan 0.000 0.490 82 I N 2.092 122.561 120.570 -0.169 0.000 2.465 82 I HA 0.459 4.629 4.170 -0.000 0.000 0.291 82 I C -0.612 175.548 176.117 0.072 0.000 1.014 82 I CA -1.166 60.048 61.300 -0.144 0.000 1.093 82 I CB 1.151 39.017 38.000 -0.225 0.000 1.267 82 I HN 0.698 nan 8.210 nan 0.000 0.431 83 I N 7.522 128.174 120.570 0.137 0.000 2.775 83 I HA -0.031 4.139 4.170 -0.000 0.000 0.290 83 I C -0.698 175.626 176.117 0.345 0.000 1.203 83 I CA 0.590 62.019 61.300 0.214 0.000 1.433 83 I CB 0.234 38.334 38.000 0.168 0.000 1.354 83 I HN 0.452 nan 8.210 nan 0.000 0.579 84 F N 7.924 127.993 119.950 0.199 0.000 2.445 84 F HA 0.501 5.028 4.527 -0.000 0.000 0.359 84 F C 0.363 176.318 175.800 0.257 0.000 1.101 84 F CA 0.680 58.815 58.000 0.226 0.000 1.177 84 F CB 0.418 39.514 39.000 0.160 0.000 1.110 84 F HN 0.573 nan 8.300 nan 0.000 0.522 85 S N 3.948 119.374 115.700 -0.456 0.000 2.755 85 S HA 0.337 4.807 4.470 -0.000 0.000 0.286 85 S C -2.097 172.313 174.600 -0.317 0.000 1.207 85 S CA -0.833 57.168 58.200 -0.333 0.000 0.892 85 S CB 1.167 64.303 63.200 -0.107 0.000 1.240 85 S HN 0.741 nan 8.310 nan 0.000 0.525 86 D N 0.515 120.832 120.400 -0.139 0.000 2.671 86 D HA 0.392 5.032 4.640 -0.000 0.000 0.232 86 D C 1.331 177.665 176.300 0.057 0.000 1.114 86 D CA -0.412 53.549 54.000 -0.066 0.000 0.858 86 D CB 1.669 42.295 40.800 -0.291 0.000 1.544 86 D HN 0.602 nan 8.370 nan 0.000 0.471 87 I N 0.369 121.004 120.570 0.108 0.000 2.454 87 I HA -0.147 4.022 4.170 -0.000 0.000 0.254 87 I C 1.554 177.685 176.117 0.023 0.000 1.156 87 I CA 0.947 62.305 61.300 0.096 0.000 1.433 87 I CB -0.127 37.913 38.000 0.067 0.000 1.082 87 I HN 0.286 nan 8.210 nan 0.000 0.432 88 L N 1.564 122.796 121.223 0.016 0.000 2.551 88 L HA -0.036 4.304 4.340 -0.000 0.000 0.228 88 L C 2.631 179.612 176.870 0.186 0.000 1.153 88 L CA 0.628 55.516 54.840 0.081 0.000 0.851 88 L CB -0.445 41.613 42.059 -0.002 0.000 0.959 88 L HN 0.420 nan 8.230 nan 0.000 0.451 89 V N -4.112 115.932 119.914 0.218 0.000 2.594 89 V HA -0.157 3.962 4.120 -0.000 0.000 0.253 89 V C 2.189 178.242 176.094 -0.068 0.000 1.069 89 V CA 1.158 63.551 62.300 0.154 0.000 1.082 89 V CB -0.579 31.297 31.823 0.089 0.000 0.680 89 V HN 0.164 nan 8.190 nan 0.000 0.469 90 V N 0.843 120.683 119.914 -0.124 0.000 2.255 90 V HA -0.044 4.076 4.120 -0.000 0.000 0.243 90 V C 0.542 176.581 176.094 -0.091 0.000 1.038 90 V CA 2.564 64.755 62.300 -0.181 0.000 1.008 90 V CB -1.792 29.949 31.823 -0.136 0.000 0.645 90 V HN 0.494 nan 8.190 nan 0.000 0.449 91 P HA -0.209 nan 4.420 nan 0.000 0.216 91 P C 1.730 178.999 177.300 -0.052 0.000 1.150 91 P CA 1.546 64.606 63.100 -0.067 0.000 0.837 91 P CB -0.035 31.649 31.700 -0.025 0.000 0.786 92 Q N -0.279 119.537 119.800 0.027 0.000 2.061 92 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 92 Q C 2.061 178.038 176.000 -0.039 0.000 0.984 92 Q CA 1.980 57.777 55.803 -0.011 0.000 0.846 92 Q CB -0.698 27.988 28.738 -0.086 0.000 0.902 92 Q HN 0.105 nan 8.270 nan 0.000 0.421 93 A N 0.453 123.241 122.820 -0.054 0.000 2.019 93 A HA -0.123 4.196 4.320 -0.000 0.000 0.219 93 A C 1.903 179.446 177.584 -0.069 0.000 1.164 93 A CA 0.910 52.905 52.037 -0.070 0.000 0.644 93 A CB -0.506 18.408 19.000 -0.144 0.000 0.805 93 A HN 0.472 nan 8.150 nan 0.000 0.449 94 L N -1.668 119.508 121.223 -0.079 0.000 2.552 94 L HA 0.106 4.446 4.340 -0.000 0.000 0.227 94 L C 1.670 178.496 176.870 -0.073 0.000 1.146 94 L CA 0.708 55.503 54.840 -0.076 0.000 0.858 94 L CB -0.035 41.968 42.059 -0.093 0.000 0.969 94 L HN 0.615 nan 8.230 nan 0.000 0.451 95 G N -0.870 107.888 108.800 -0.069 0.000 2.175 95 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.182 95 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.182 95 G C 0.192 175.046 174.900 -0.077 0.000 1.003 95 G CA -0.511 44.553 45.100 -0.061 0.000 0.666 95 G HN 0.131 nan 8.290 nan 0.000 0.506 96 M N 1.463 120.999 119.600 -0.107 0.000 2.233 96 M HA 0.382 4.862 4.480 -0.000 0.000 0.355 96 M C -0.038 176.278 176.300 0.026 0.000 1.191 96 M CA -0.390 54.836 55.300 -0.124 0.000 1.101 96 M CB 0.948 33.285 32.600 -0.438 0.000 1.592 96 M HN -0.012 nan 8.290 nan 0.000 0.461 97 E N 2.604 122.836 120.200 0.053 0.000 2.289 97 E HA 0.316 4.666 4.350 -0.000 0.000 0.278 97 E C -0.890 175.768 176.600 0.096 0.000 1.032 97 E CA -0.201 56.224 56.400 0.042 0.000 0.854 97 E CB 1.388 31.093 29.700 0.008 0.000 1.046 97 E HN 0.345 nan 8.360 nan 0.000 0.409 98 V N 2.300 122.137 119.914 -0.129 0.000 2.547 98 V HA 0.387 4.507 4.120 -0.000 0.000 0.299 98 V C 0.641 176.590 176.094 -0.242 0.000 1.040 98 V CA -0.609 61.471 62.300 -0.367 0.000 0.913 98 V CB 1.761 33.071 31.823 -0.855 0.000 0.992 98 V HN 0.827 nan 8.190 nan 0.000 0.449 99 T N 0.856 115.290 114.554 -0.200 0.000 3.732 99 T HA 0.363 4.713 4.350 -0.000 0.000 0.234 99 T C -0.210 174.457 174.700 -0.055 0.000 1.146 99 T CA -0.489 61.558 62.100 -0.088 0.000 1.454 99 T CB -0.161 68.680 68.868 -0.045 0.000 0.910 99 T HN 0.346 nan 8.240 nan 0.000 0.640 100 M N 2.543 122.123 119.600 -0.033 0.000 2.734 100 M HA 0.230 4.710 4.480 -0.000 0.000 0.356 100 M C -0.571 175.783 176.300 0.091 0.000 1.790 100 M CA 0.460 55.777 55.300 0.028 0.000 1.231 100 M CB -0.350 32.308 32.600 0.097 0.000 2.102 100 M HN 0.412 nan 8.290 nan 0.000 0.463 101 V N 7.383 127.331 119.914 0.058 0.000 2.864 101 V HA 0.534 4.654 4.120 -0.000 0.000 0.314 101 V C -1.942 174.190 176.094 0.064 0.000 1.073 101 V CA -1.860 60.474 62.300 0.057 0.000 0.956 101 V CB 2.376 34.215 31.823 0.028 0.000 1.023 101 V HN 0.599 nan 8.190 nan 0.000 0.435 102 P HA -0.156 nan 4.420 nan 0.000 0.031 102 P C 0.687 178.023 177.300 0.060 0.000 0.512 102 P CA 1.712 64.846 63.100 0.056 0.000 1.035 102 P CB -0.893 30.829 31.700 0.038 0.000 1.839 103 G N 1.380 110.230 108.800 0.084 0.000 2.338 103 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.296 103 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.296 103 G C 0.731 175.674 174.900 0.071 0.000 1.040 103 G CA 0.411 45.564 45.100 0.088 0.000 1.004 103 G HN 0.527 nan 8.290 nan 0.000 0.509 104 K N -0.981 119.460 120.400 0.067 0.000 2.491 104 K HA 0.452 4.771 4.320 -0.000 0.000 0.211 104 K C 1.591 178.211 176.600 0.034 0.000 1.210 104 K CA 0.401 56.715 56.287 0.045 0.000 1.003 104 K CB 0.991 33.509 32.500 0.030 0.000 1.009 104 K HN 1.507 nan 8.250 nan 0.000 0.577 105 G N 2.087 110.907 108.800 0.034 0.000 2.527 105 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.227 105 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.227 105 G C -2.692 172.143 174.900 -0.108 0.000 1.291 105 G CA -1.045 44.039 45.100 -0.026 0.000 0.904 105 G HN -0.057 nan 8.290 nan 0.000 0.577 106 P HA 0.427 nan 4.420 nan 0.000 0.262 106 P C -0.391 176.800 177.300 -0.182 0.000 1.182 106 P CA 0.927 63.900 63.100 -0.210 0.000 0.761 106 P CB 1.296 32.910 31.700 -0.144 0.000 0.795 107 S N 2.979 118.484 115.700 -0.324 0.000 2.689 107 S HA 0.521 4.991 4.470 -0.000 0.000 0.274 107 S C -1.521 172.838 174.600 -0.401 0.000 1.176 107 S CA -0.557 57.492 58.200 -0.252 0.000 1.014 107 S CB 0.016 63.145 63.200 -0.117 0.000 1.071 107 S HN 0.121 nan 8.310 nan 0.000 0.478 108 F N 5.890 125.810 119.950 -0.050 0.000 2.334 108 F HA 0.376 4.903 4.527 -0.000 0.000 0.367 108 F C -1.201 174.571 175.800 -0.047 0.000 1.115 108 F CA -1.882 56.077 58.000 -0.069 0.000 1.116 108 F CB 1.583 40.540 39.000 -0.072 0.000 1.230 108 F HN 0.439 nan 8.300 nan 0.000 0.484 109 P HA -0.135 nan 4.420 nan 0.000 0.222 109 P C -0.242 177.093 177.300 0.059 0.000 1.147 109 P CA 1.183 64.318 63.100 0.058 0.000 0.790 109 P CB 0.292 32.010 31.700 0.030 0.000 0.780 110 E N 0.778 121.021 120.200 0.071 0.000 2.916 110 E HA 0.255 4.605 4.350 -0.000 0.000 0.217 110 E C -2.342 174.261 176.600 0.004 0.000 1.100 110 E CA -2.106 54.313 56.400 0.032 0.000 0.891 110 E CB 0.399 30.107 29.700 0.013 0.000 1.311 110 E HN 0.308 nan 8.360 nan 0.000 0.421 111 P HA 0.005 nan 4.420 nan 0.000 0.271 111 P C -0.166 177.085 177.300 -0.081 0.000 1.233 111 P CA -0.270 62.797 63.100 -0.055 0.000 0.789 111 P CB 0.958 32.649 31.700 -0.016 0.000 0.951 112 L N 2.366 123.492 121.223 -0.161 0.000 2.462 112 L HA 0.128 4.468 4.340 -0.000 0.000 0.272 112 L C 1.740 178.642 176.870 0.053 0.000 1.166 112 L CA 0.076 54.861 54.840 -0.092 0.000 0.880 112 L CB 0.103 42.011 42.059 -0.251 0.000 1.142 112 L HN 0.363 nan 8.230 nan 0.000 0.473 113 R N 1.547 122.184 120.500 0.228 0.000 2.507 113 R HA 0.180 4.520 4.340 -0.000 0.000 0.230 113 R C -0.004 176.532 176.300 0.395 0.000 0.897 113 R CA 0.256 56.561 56.100 0.342 0.000 1.006 113 R CB 0.724 31.123 30.300 0.165 0.000 1.341 113 R HN 0.807 nan 8.270 nan 0.000 0.604 114 E N -0.817 119.568 120.200 0.309 0.000 2.433 114 E HA 0.261 4.611 4.350 -0.000 0.000 0.273 114 E C -0.106 176.546 176.600 0.087 0.000 0.950 114 E CA -0.707 55.731 56.400 0.063 0.000 0.796 114 E CB 1.363 31.059 29.700 -0.006 0.000 1.330 114 E HN -0.171 nan 8.360 nan 0.000 0.455 115 E N 0.264 120.379 120.200 -0.142 0.000 2.160 115 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 115 E C 1.840 178.476 176.600 0.060 0.000 0.991 115 E CA 1.422 57.790 56.400 -0.054 0.000 0.810 115 E CB 0.143 29.766 29.700 -0.129 0.000 0.742 115 E HN 0.598 nan 8.360 nan 0.000 0.466 116 Q N 0.117 119.938 119.800 0.034 0.000 2.224 116 Q HA -0.161 4.178 4.340 -0.000 0.000 0.203 116 Q C 1.159 177.192 176.000 0.055 0.000 0.970 116 Q CA 1.384 57.208 55.803 0.036 0.000 0.865 116 Q CB 0.168 28.916 28.738 0.018 0.000 0.922 116 Q HN 0.289 nan 8.270 nan 0.000 0.445 117 D N 0.456 120.909 120.400 0.088 0.000 2.309 117 D HA -0.136 4.504 4.640 -0.000 0.000 0.212 117 D C 1.718 178.050 176.300 0.053 0.000 0.968 117 D CA 0.640 54.682 54.000 0.071 0.000 0.882 117 D CB -0.053 40.802 40.800 0.092 0.000 0.918 117 D HN 0.363 nan 8.370 nan 0.000 0.503 118 L N 0.667 121.944 121.223 0.091 0.000 2.187 118 L HA -0.152 4.188 4.340 -0.000 0.000 0.213 118 L C 2.065 178.951 176.870 0.027 0.000 1.100 118 L CA 1.026 55.904 54.840 0.062 0.000 0.765 118 L CB -0.449 41.671 42.059 0.103 0.000 0.904 118 L HN 0.019 nan 8.230 nan 0.000 0.437 119 E N 0.162 120.379 120.200 0.027 0.000 2.268 119 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 119 E C 2.172 178.773 176.600 0.001 0.000 0.995 119 E CA 0.541 56.950 56.400 0.015 0.000 0.836 119 E CB 0.006 29.715 29.700 0.016 0.000 0.763 119 E HN 0.476 nan 8.360 nan 0.000 0.491 120 R N 0.360 120.856 120.500 -0.007 0.000 2.189 120 R HA 0.004 4.343 4.340 -0.000 0.000 0.223 120 R C 0.617 176.897 176.300 -0.033 0.000 1.092 120 R CA 0.420 56.507 56.100 -0.022 0.000 0.989 120 R CB -0.168 30.110 30.300 -0.035 0.000 0.876 120 R HN 0.094 nan 8.270 nan 0.000 0.457 121 L N 1.536 122.738 121.223 -0.035 0.000 2.371 121 L HA 0.225 4.565 4.340 -0.000 0.000 0.272 121 L C 0.583 177.437 176.870 -0.027 0.000 1.124 121 L CA -0.585 54.228 54.840 -0.045 0.000 0.816 121 L CB 0.674 42.701 42.059 -0.052 0.000 1.129 121 L HN 0.025 nan 8.230 nan 0.000 0.448 122 R N 0.985 121.467 120.500 -0.029 0.000 2.694 122 R HA 0.007 4.347 4.340 -0.000 0.000 0.268 122 R C -0.076 176.219 176.300 -0.008 0.000 1.061 122 R CA -0.485 55.605 56.100 -0.016 0.000 1.133 122 R CB 0.350 30.639 30.300 -0.018 0.000 1.020 122 R HN 0.569 nan 8.270 nan 0.000 0.475 123 D N 3.056 123.457 120.400 0.002 0.000 2.493 123 D HA -0.026 4.614 4.640 -0.000 0.000 0.240 123 D C -1.377 174.931 176.300 0.012 0.000 1.142 123 D CA -1.344 52.663 54.000 0.011 0.000 0.872 123 D CB 1.104 41.914 40.800 0.016 0.000 1.173 123 D HN 0.253 nan 8.370 nan 0.000 0.467 124 P HA -0.129 nan 4.420 nan 0.000 0.221 124 P C 0.708 178.028 177.300 0.034 0.000 1.145 124 P CA 0.941 64.053 63.100 0.021 0.000 0.795 124 P CB 0.233 31.952 31.700 0.031 0.000 0.775 125 E N -0.178 120.044 120.200 0.037 0.000 2.409 125 E HA -0.063 4.287 4.350 -0.000 0.000 0.198 125 E C 1.616 178.243 176.600 0.045 0.000 1.024 125 E CA 0.908 57.334 56.400 0.044 0.000 0.861 125 E CB -0.145 29.579 29.700 0.040 0.000 0.788 125 E HN 0.267 nan 8.360 nan 0.000 0.521 126 V N -3.586 116.348 119.914 0.033 0.000 3.578 126 V HA 0.071 4.191 4.120 -0.000 0.000 0.290 126 V C 1.798 177.906 176.094 0.023 0.000 1.376 126 V CA 0.022 62.340 62.300 0.031 0.000 1.083 126 V CB 0.366 32.201 31.823 0.021 0.000 0.911 126 V HN -0.044 nan 8.190 nan 0.000 0.433 127 V N 1.647 121.568 119.914 0.013 0.000 2.407 127 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 127 V C 3.139 179.215 176.094 -0.029 0.000 1.055 127 V CA 2.469 64.752 62.300 -0.029 0.000 1.049 127 V CB -1.077 30.716 31.823 -0.050 0.000 0.662 127 V HN 0.671 nan 8.190 nan 0.000 0.455 128 A N 0.787 123.653 122.820 0.076 0.000 1.908 128 A HA -0.230 4.089 4.320 -0.000 0.000 0.218 128 A C 2.549 180.223 177.584 0.150 0.000 1.181 128 A CA 2.372 54.536 52.037 0.212 0.000 0.627 128 A CB -0.787 18.408 19.000 0.326 0.000 0.818 128 A HN 0.703 nan 8.150 nan 0.000 0.445 129 S N -0.427 115.338 115.700 0.108 0.000 2.423 129 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 129 S C 1.469 176.081 174.600 0.020 0.000 1.014 129 S CA 1.262 59.511 58.200 0.083 0.000 0.965 129 S CB -0.306 62.939 63.200 0.074 0.000 0.785 129 S HN 0.524 nan 8.310 nan 0.000 0.495 130 E N 1.284 121.473 120.200 -0.019 0.000 2.274 130 E HA 0.128 4.477 4.350 -0.000 0.000 0.194 130 E C 1.367 177.917 176.600 -0.085 0.000 0.996 130 E CA 0.558 56.943 56.400 -0.024 0.000 0.840 130 E CB -0.221 29.460 29.700 -0.031 0.000 0.772 130 E HN 0.595 nan 8.360 nan 0.000 0.491 131 L N -0.206 120.837 121.223 -0.301 0.000 2.818 131 L HA 0.241 4.581 4.340 -0.000 0.000 0.243 131 L C 1.901 178.207 176.870 -0.940 0.000 1.185 131 L CA -0.113 54.307 54.840 -0.700 0.000 0.988 131 L CB 0.255 41.812 42.059 -0.837 0.000 1.292 131 L HN 0.055 nan 8.230 nan 0.000 0.519 132 G N 1.133 109.658 108.800 -0.459 0.000 2.547 132 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.221 132 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.221 132 G C 1.348 176.168 174.900 -0.134 0.000 1.140 132 G CA 1.634 46.619 45.100 -0.193 0.000 0.760 132 G HN 0.623 nan 8.290 nan 0.000 0.583 133 Y N 0.253 120.492 120.300 -0.103 0.000 2.256 133 Y HA -0.007 4.543 4.550 -0.000 0.000 0.288 133 Y C 2.465 178.348 175.900 -0.029 0.000 1.155 133 Y CA 1.033 59.111 58.100 -0.037 0.000 1.203 133 Y CB -0.820 37.628 38.460 -0.021 0.000 0.980 133 Y HN 0.040 nan 8.280 nan 0.000 0.530 134 V N 0.856 120.407 119.914 -0.605 0.000 2.307 134 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 134 V C 2.316 178.387 176.094 -0.038 0.000 1.045 134 V CA 2.020 64.115 62.300 -0.342 0.000 1.024 134 V CB -1.027 30.530 31.823 -0.443 0.000 0.651 134 V HN 0.515 nan 8.190 nan 0.000 0.449 135 F N 0.208 120.138 119.950 -0.033 0.000 2.120 135 F HA -0.296 4.231 4.527 -0.000 0.000 0.300 135 F C 2.745 178.570 175.800 0.040 0.000 1.095 135 F CA 1.574 59.577 58.000 0.005 0.000 1.249 135 F CB -0.430 38.583 39.000 0.021 0.000 0.995 135 F HN 0.165 nan 8.300 nan 0.000 0.480 136 Q N 0.384 120.318 119.800 0.223 0.000 2.084 136 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 136 Q C 2.517 178.605 176.000 0.147 0.000 0.978 136 Q CA 1.400 57.306 55.803 0.172 0.000 0.844 136 Q CB -0.378 28.450 28.738 0.150 0.000 0.898 136 Q HN 0.459 nan 8.270 nan 0.000 0.426 137 A N 0.622 123.524 122.820 0.137 0.000 1.930 137 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 137 A C 2.012 179.661 177.584 0.108 0.000 1.175 137 A CA 1.029 53.141 52.037 0.125 0.000 0.627 137 A CB -0.521 18.564 19.000 0.142 0.000 0.815 137 A HN 0.299 nan 8.150 nan 0.000 0.443 138 I N -0.632 120.004 120.570 0.110 0.000 2.179 138 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 138 I C 2.629 178.779 176.117 0.054 0.000 1.088 138 I CA 1.734 63.076 61.300 0.070 0.000 1.357 138 I CB -0.550 37.492 38.000 0.069 0.000 1.051 138 I HN 0.242 nan 8.210 nan 0.000 0.409 139 T N 1.150 115.779 114.554 0.125 0.000 2.684 139 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 139 T C 1.863 176.679 174.700 0.193 0.000 1.036 139 T CA 1.409 63.636 62.100 0.211 0.000 1.148 139 T CB -0.369 68.653 68.868 0.256 0.000 0.863 139 T HN 0.145 nan 8.240 nan 0.000 0.436 140 L N 1.054 122.361 121.223 0.140 0.000 2.012 140 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 140 L C 2.550 179.470 176.870 0.083 0.000 1.073 140 L CA 1.933 56.839 54.840 0.109 0.000 0.748 140 L CB -1.234 40.880 42.059 0.090 0.000 0.891 140 L HN 0.225 nan 8.230 nan 0.000 0.431 141 T N -0.998 113.594 114.554 0.063 0.000 2.777 141 T HA -0.212 4.138 4.350 -0.000 0.000 0.266 141 T C 1.967 176.671 174.700 0.007 0.000 1.040 141 T CA 1.498 63.619 62.100 0.035 0.000 1.141 141 T CB -0.243 68.645 68.868 0.034 0.000 0.868 141 T HN 0.253 nan 8.240 nan 0.000 0.444 142 R N 1.275 121.755 120.500 -0.032 0.000 2.083 142 R HA -0.082 4.258 4.340 -0.000 0.000 0.237 142 R C 2.523 178.833 176.300 0.018 0.000 1.137 142 R CA 1.468 57.497 56.100 -0.120 0.000 0.951 142 R CB -0.405 29.631 30.300 -0.440 0.000 0.851 142 R HN 0.327 nan 8.270 nan 0.000 0.434 143 Q N 0.088 119.973 119.800 0.141 0.000 2.061 143 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 143 Q C 2.066 178.120 176.000 0.090 0.000 0.984 143 Q CA 1.429 57.334 55.803 0.171 0.000 0.846 143 Q CB -0.237 28.604 28.738 0.172 0.000 0.902 143 Q HN 0.352 nan 8.270 nan 0.000 0.421 144 R N 0.474 121.012 120.500 0.063 0.000 2.115 144 R HA 0.036 4.376 4.340 -0.000 0.000 0.226 144 R C 2.385 178.703 176.300 0.028 0.000 1.100 144 R CA 0.432 56.556 56.100 0.041 0.000 0.980 144 R CB -0.513 29.806 30.300 0.032 0.000 0.875 144 R HN 0.281 nan 8.270 nan 0.000 0.445 145 L N 0.617 121.853 121.223 0.022 0.000 2.201 145 L HA -0.039 4.301 4.340 -0.000 0.000 0.212 145 L C 1.009 177.890 176.870 0.019 0.000 1.105 145 L CA 0.844 55.690 54.840 0.011 0.000 0.775 145 L CB -0.364 41.690 42.059 -0.008 0.000 0.913 145 L HN 0.222 nan 8.230 nan 0.000 0.440 146 A N 0.047 122.887 122.820 0.034 0.000 2.745 146 A HA -0.170 4.150 4.320 -0.000 0.000 0.296 146 A C 1.343 178.950 177.584 0.038 0.000 1.500 146 A CA 0.806 52.869 52.037 0.044 0.000 0.766 146 A CB -2.081 16.941 19.000 0.037 0.000 1.030 146 A HN 0.983 nan 8.150 nan 0.000 0.489 147 G N -1.598 107.221 108.800 0.031 0.000 2.162 147 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.260 147 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.260 147 G C 0.880 175.795 174.900 0.025 0.000 0.976 147 G CA 1.417 46.534 45.100 0.028 0.000 0.655 147 G HN 1.367 nan 8.290 nan 0.000 0.533 148 R N 0.043 120.555 120.500 0.020 0.000 2.097 148 R HA 0.102 4.441 4.340 -0.000 0.000 0.236 148 R C 1.385 177.701 176.300 0.028 0.000 1.135 148 R CA 2.566 58.679 56.100 0.023 0.000 0.934 148 R CB -0.209 30.102 30.300 0.019 0.000 0.846 148 R HN 1.167 nan 8.270 nan 0.000 0.431 149 V N -4.324 115.598 119.914 0.013 0.000 3.188 149 V HA 0.544 4.664 4.120 -0.000 0.000 0.305 149 V C -2.863 173.215 176.094 -0.027 0.000 1.232 149 V CA -2.767 59.539 62.300 0.009 0.000 1.043 149 V CB 1.808 33.632 31.823 0.003 0.000 1.068 149 V HN -0.011 nan 8.190 nan 0.000 0.439 150 P HA 0.391 nan 4.420 nan 0.000 0.269 150 P C -1.040 176.162 177.300 -0.164 0.000 1.215 150 P CA -0.108 62.961 63.100 -0.053 0.000 0.780 150 P CB 0.465 32.204 31.700 0.066 0.000 0.898 151 L N 3.443 124.576 121.223 -0.150 0.000 2.287 151 L HA 0.438 4.778 4.340 -0.000 0.000 0.287 151 L C -0.813 175.947 176.870 -0.184 0.000 1.022 151 L CA -0.388 54.346 54.840 -0.177 0.000 0.814 151 L CB 0.312 42.290 42.059 -0.135 0.000 1.217 151 L HN 0.215 nan 8.230 nan 0.000 0.420 152 I N 4.940 125.348 120.570 -0.270 0.000 2.342 152 I HA 0.460 4.630 4.170 -0.000 0.000 0.291 152 I C 1.030 177.119 176.117 -0.047 0.000 1.010 152 I CA -0.165 61.007 61.300 -0.214 0.000 1.308 152 I CB 1.192 38.907 38.000 -0.475 0.000 1.400 152 I HN 0.744 nan 8.210 nan 0.000 0.488 153 G N 5.292 114.095 108.800 0.005 0.000 2.502 153 G HA2 0.706 4.666 3.960 -0.000 0.000 0.305 153 G HA3 0.706 4.666 3.960 -0.000 0.000 0.305 153 G C -0.995 174.029 174.900 0.206 0.000 1.190 153 G CA -0.301 44.830 45.100 0.053 0.000 0.933 153 G HN 0.642 nan 8.290 nan 0.000 0.503 154 F N -1.889 118.074 119.950 0.023 0.000 2.741 154 F HA 0.829 5.356 4.527 -0.000 0.000 0.311 154 F C -0.582 175.321 175.800 0.172 0.000 1.149 154 F CA -1.038 57.060 58.000 0.164 0.000 0.930 154 F CB 1.198 40.426 39.000 0.378 0.000 1.312 154 F HN 1.008 nan 8.300 nan 0.000 0.450 155 A N 0.602 123.645 122.820 0.372 0.000 2.610 155 A HA 0.788 5.108 4.320 -0.000 0.000 0.291 155 A C -0.723 177.168 177.584 0.512 0.000 1.086 155 A CA -0.526 51.688 52.037 0.294 0.000 0.677 155 A CB 0.900 20.052 19.000 0.254 0.000 1.278 155 A HN 1.832 nan 8.150 nan 0.000 0.414 156 G N -0.065 108.960 108.800 0.377 0.000 2.444 156 G HA2 0.655 4.615 3.960 -0.000 0.000 0.268 156 G HA3 0.655 4.615 3.960 -0.000 0.000 0.268 156 G C 0.400 175.475 174.900 0.291 0.000 1.203 156 G CA 0.379 45.689 45.100 0.350 0.000 0.835 156 G HN 1.734 nan 8.290 nan 0.000 0.543 157 A N 3.185 126.179 122.820 0.290 0.000 2.406 157 A HA 0.526 4.846 4.320 -0.000 0.000 0.243 157 A C -0.791 176.910 177.584 0.195 0.000 1.082 157 A CA -0.861 51.323 52.037 0.245 0.000 0.786 157 A CB 0.549 19.697 19.000 0.248 0.000 1.029 157 A HN 0.460 nan 8.150 nan 0.000 0.495 158 P HA -0.197 nan 4.420 nan 0.000 0.214 158 P C 1.609 178.974 177.300 0.107 0.000 1.163 158 P CA 1.672 64.833 63.100 0.101 0.000 0.889 158 P CB -0.231 31.506 31.700 0.061 0.000 0.790 159 W N 0.429 121.739 121.300 0.018 0.000 2.318 159 W HA -0.200 4.460 4.660 -0.000 0.000 0.313 159 W C 1.453 178.008 176.519 0.060 0.000 1.221 159 W CA 2.040 59.395 57.345 0.017 0.000 1.266 159 W CB -1.148 28.337 29.460 0.041 0.000 1.150 159 W HN -0.048 nan 8.180 nan 0.000 0.496 160 T N 2.174 116.673 114.554 -0.093 0.000 2.788 160 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 160 T C 1.951 176.610 174.700 -0.067 0.000 1.044 160 T CA 1.837 63.830 62.100 -0.178 0.000 1.139 160 T CB -0.518 68.374 68.868 0.041 0.000 0.867 160 T HN 0.155 nan 8.240 nan 0.000 0.454 161 L N 0.491 121.721 121.223 0.013 0.000 2.093 161 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 161 L C 2.636 179.464 176.870 -0.070 0.000 1.085 161 L CA 1.132 56.008 54.840 0.060 0.000 0.755 161 L CB -0.557 41.526 42.059 0.042 0.000 0.904 161 L HN 0.331 nan 8.230 nan 0.000 0.435 162 M N 0.298 119.768 119.600 -0.217 0.000 2.108 162 M HA -0.226 4.254 4.480 -0.000 0.000 0.261 162 M C 2.436 178.432 176.300 -0.506 0.000 1.066 162 M CA 2.488 57.572 55.300 -0.360 0.000 1.107 162 M CB -0.320 32.090 32.600 -0.317 0.000 1.356 162 M HN 0.387 nan 8.290 nan 0.000 0.406 163 T N -1.385 112.739 114.554 -0.716 0.000 2.720 163 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 163 T C 1.542 175.996 174.700 -0.411 0.000 1.037 163 T CA 1.836 63.518 62.100 -0.697 0.000 1.144 163 T CB -1.294 67.116 68.868 -0.764 0.000 0.864 163 T HN 0.616 nan 8.240 nan 0.000 0.444 164 Y N 1.434 121.646 120.300 -0.147 0.000 2.181 164 Y HA 0.046 4.596 4.550 -0.000 0.000 0.288 164 Y C 2.892 178.822 175.900 0.050 0.000 1.146 164 Y CA 1.448 59.570 58.100 0.037 0.000 1.164 164 Y CB -0.483 38.063 38.460 0.145 0.000 0.982 164 Y HN 0.161 nan 8.280 nan 0.000 0.515 165 M N -1.333 118.245 119.600 -0.038 0.000 2.229 165 M HA -0.186 4.294 4.480 -0.000 0.000 0.264 165 M C 1.858 177.954 176.300 -0.341 0.000 1.063 165 M CA 1.140 56.218 55.300 -0.369 0.000 1.114 165 M CB -0.321 32.012 32.600 -0.446 0.000 1.387 165 M HN 0.096 nan 8.290 nan 0.000 0.420 166 V N -0.514 119.182 119.914 -0.363 0.000 2.500 166 V HA -0.086 4.034 4.120 -0.000 0.000 0.243 166 V C 2.239 178.209 176.094 -0.208 0.000 1.039 166 V CA 1.241 63.301 62.300 -0.400 0.000 1.053 166 V CB -0.365 31.060 31.823 -0.663 0.000 0.695 166 V HN 0.325 nan 8.190 nan 0.000 0.463 167 E N 0.306 120.395 120.200 -0.184 0.000 2.152 167 E HA -0.018 4.332 4.350 -0.000 0.000 0.192 167 E C 1.983 178.571 176.600 -0.019 0.000 0.983 167 E CA 1.122 57.453 56.400 -0.116 0.000 0.818 167 E CB -0.174 29.413 29.700 -0.189 0.000 0.758 167 E HN 0.644 nan 8.360 nan 0.000 0.467 168 G N 0.135 108.978 108.800 0.073 0.000 2.194 168 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.236 168 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.236 168 G C 0.612 175.630 174.900 0.197 0.000 0.987 168 G CA 0.530 45.743 45.100 0.189 0.000 0.635 168 G HN 0.780 nan 8.290 nan 0.000 0.520 169 G N -1.285 107.613 108.800 0.164 0.000 2.441 169 G HA2 0.616 4.576 3.960 -0.000 0.000 0.225 169 G HA3 0.616 4.576 3.960 -0.000 0.000 0.225 169 G C 0.373 175.316 174.900 0.071 0.000 1.200 169 G CA 0.744 45.965 45.100 0.202 0.000 0.947 169 G HN 1.684 nan 8.290 nan 0.000 0.484 170 G N -0.532 108.324 108.800 0.094 0.000 2.544 170 G HA2 0.546 4.506 3.960 -0.000 0.000 0.242 170 G HA3 0.546 4.506 3.960 -0.000 0.000 0.242 170 G C 0.031 174.864 174.900 -0.112 0.000 1.247 170 G CA 1.184 46.275 45.100 -0.015 0.000 0.840 170 G HN 1.511 nan 8.290 nan 0.000 0.578 171 S N -1.310 114.263 115.700 -0.211 0.000 2.537 171 S HA 0.447 4.917 4.470 -0.000 0.000 0.270 171 S C 0.974 175.474 174.600 -0.167 0.000 1.142 171 S CA 0.245 58.327 58.200 -0.195 0.000 0.870 171 S CB 1.517 64.556 63.200 -0.268 0.000 1.112 171 S HN 1.231 nan 8.310 nan 0.000 0.466 172 S N 1.602 117.265 115.700 -0.062 0.000 2.478 172 S HA 0.027 4.497 4.470 -0.000 0.000 0.222 172 S C 1.285 175.939 174.600 0.090 0.000 1.008 172 S CA 1.359 59.581 58.200 0.037 0.000 0.928 172 S CB -0.415 62.808 63.200 0.038 0.000 0.781 172 S HN 0.997 nan 8.310 nan 0.000 0.518 173 T N -2.708 111.836 114.554 -0.017 0.000 2.958 173 T HA 0.324 4.674 4.350 -0.000 0.000 0.256 173 T C 0.727 175.390 174.700 -0.061 0.000 0.983 173 T CA 0.163 62.287 62.100 0.041 0.000 0.924 173 T CB -0.041 68.849 68.868 0.037 0.000 1.136 173 T HN 0.153 nan 8.240 nan 0.000 0.506 174 M N 0.842 120.287 119.600 -0.259 0.000 2.503 174 M HA -0.240 4.240 4.480 -0.000 0.000 0.199 174 M C 1.478 177.760 176.300 -0.030 0.000 0.466 174 M CA 0.729 55.887 55.300 -0.236 0.000 0.510 174 M CB -2.545 29.885 32.600 -0.283 0.000 1.858 174 M HN 0.612 nan 8.290 nan 0.000 0.799 175 A N -0.295 122.522 122.820 -0.006 0.000 1.917 175 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 175 A C 2.075 179.705 177.584 0.077 0.000 1.182 175 A CA 1.897 53.965 52.037 0.051 0.000 0.633 175 A CB -0.209 18.812 19.000 0.035 0.000 0.819 175 A HN 0.672 nan 8.150 nan 0.000 0.448 176 Q N -0.736 119.091 119.800 0.044 0.000 2.083 176 Q HA -0.055 4.285 4.340 -0.000 0.000 0.198 176 Q C 2.486 178.569 176.000 0.137 0.000 0.969 176 Q CA 1.554 57.412 55.803 0.091 0.000 0.838 176 Q CB -0.717 28.045 28.738 0.041 0.000 0.900 176 Q HN 0.658 nan 8.270 nan 0.000 0.436 177 A N 1.547 124.380 122.820 0.022 0.000 1.873 177 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 177 A C 2.082 179.815 177.584 0.248 0.000 1.186 177 A CA 1.558 53.597 52.037 0.004 0.000 0.616 177 A CB -0.313 18.562 19.000 -0.209 0.000 0.823 177 A HN 0.249 nan 8.150 nan 0.000 0.442 178 K N -0.825 119.727 120.400 0.253 0.000 2.148 178 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 178 K C 2.280 179.008 176.600 0.213 0.000 1.050 178 K CA 1.175 57.578 56.287 0.192 0.000 0.942 178 K CB -0.132 32.498 32.500 0.216 0.000 0.724 178 K HN 0.461 nan 8.250 nan 0.000 0.446 179 R N 0.113 120.757 120.500 0.239 0.000 2.091 179 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 179 R C 1.656 178.079 176.300 0.206 0.000 1.136 179 R CA 1.585 57.821 56.100 0.226 0.000 0.959 179 R CB -0.171 30.233 30.300 0.173 0.000 0.856 179 R HN 0.239 nan 8.270 nan 0.000 0.437 180 W N 0.960 122.252 121.300 -0.014 0.000 2.335 180 W HA -0.129 4.530 4.660 -0.000 0.000 0.311 180 W C 1.981 178.397 176.519 -0.172 0.000 1.213 180 W CA 1.194 58.502 57.345 -0.063 0.000 1.274 180 W CB -0.510 28.913 29.460 -0.063 0.000 1.148 180 W HN 0.079 nan 8.180 nan 0.000 0.498 181 L N -1.637 119.526 121.223 -0.099 0.000 2.042 181 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 181 L C 2.134 178.742 176.870 -0.436 0.000 1.076 181 L CA 1.614 56.048 54.840 -0.677 0.000 0.749 181 L CB -1.190 40.232 42.059 -1.061 0.000 0.893 181 L HN 0.081 nan 8.230 nan 0.000 0.432 182 Y N -0.679 119.563 120.300 -0.095 0.000 2.269 182 Y HA -0.153 4.397 4.550 -0.000 0.000 0.294 182 Y C 2.785 178.679 175.900 -0.011 0.000 1.120 182 Y CA 0.859 58.947 58.100 -0.020 0.000 1.159 182 Y CB 0.070 38.525 38.460 -0.009 0.000 1.024 182 Y HN 0.129 nan 8.280 nan 0.000 0.532 183 Q N -0.225 119.645 119.800 0.116 0.000 2.302 183 Q HA 0.077 4.417 4.340 -0.000 0.000 0.202 183 Q C 0.273 176.238 176.000 -0.059 0.000 0.936 183 Q CA 0.573 56.386 55.803 0.016 0.000 0.886 183 Q CB 0.446 29.167 28.738 -0.028 0.000 0.986 183 Q HN 0.279 nan 8.270 nan 0.000 0.487 184 R N 0.236 120.671 120.500 -0.108 0.000 2.886 184 R HA 0.180 4.520 4.340 -0.000 0.000 0.306 184 R C -2.158 174.136 176.300 -0.011 0.000 1.300 184 R CA -1.187 54.817 56.100 -0.159 0.000 1.441 184 R CB 0.843 30.844 30.300 -0.498 0.000 1.328 184 R HN 0.095 nan 8.270 nan 0.000 0.629 185 P HA -0.209 nan 4.420 nan 0.000 0.216 185 P C 0.853 178.361 177.300 0.347 0.000 1.153 185 P CA 1.321 64.573 63.100 0.254 0.000 0.848 185 P CB 0.419 32.329 31.700 0.350 0.000 0.787 186 Q N -0.100 119.852 119.800 0.254 0.000 2.050 186 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 186 Q C 2.466 178.603 176.000 0.229 0.000 0.980 186 Q CA 1.816 57.769 55.803 0.250 0.000 0.840 186 Q CB -0.756 28.065 28.738 0.139 0.000 0.898 186 Q HN 0.183 nan 8.270 nan 0.000 0.424 187 A N 0.565 123.471 122.820 0.144 0.000 1.933 187 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 187 A C 2.273 180.056 177.584 0.332 0.000 1.175 187 A CA 1.695 53.836 52.037 0.174 0.000 0.628 187 A CB -0.493 18.504 19.000 -0.005 0.000 0.814 187 A HN 0.249 nan 8.150 nan 0.000 0.444 188 S N -0.774 115.128 115.700 0.336 0.000 2.348 188 S HA -0.160 4.310 4.470 -0.000 0.000 0.221 188 S C 1.915 176.644 174.600 0.215 0.000 1.033 188 S CA 1.221 59.601 58.200 0.300 0.000 1.010 188 S CB -0.621 62.640 63.200 0.102 0.000 0.891 188 S HN 0.709 nan 8.310 nan 0.000 0.442 189 H N 1.260 120.542 119.070 0.354 0.000 2.353 189 H HA -0.110 4.446 4.556 -0.000 0.000 0.298 189 H C 2.423 177.853 175.328 0.169 0.000 1.103 189 H CA 1.682 57.910 56.048 0.300 0.000 1.293 189 H CB -0.481 29.451 29.762 0.283 0.000 1.372 189 H HN 0.494 nan 8.280 nan 0.000 0.501 190 Q N 0.293 120.257 119.800 0.273 0.000 2.030 190 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 190 Q C 2.431 178.496 176.000 0.107 0.000 0.986 190 Q CA 1.403 57.310 55.803 0.173 0.000 0.843 190 Q CB -0.130 28.702 28.738 0.155 0.000 0.904 190 Q HN 0.247 nan 8.270 nan 0.000 0.420 191 L N 0.752 122.038 121.223 0.105 0.000 2.043 191 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 191 L C 2.095 178.923 176.870 -0.070 0.000 1.075 191 L CA 1.694 56.541 54.840 0.012 0.000 0.752 191 L CB -0.562 41.482 42.059 -0.025 0.000 0.891 191 L HN 0.314 nan 8.230 nan 0.000 0.432 192 L N -1.184 119.956 121.223 -0.137 0.000 2.093 192 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 192 L C 2.701 179.321 176.870 -0.417 0.000 1.085 192 L CA 1.126 55.710 54.840 -0.427 0.000 0.755 192 L CB -0.505 41.029 42.059 -0.875 0.000 0.904 192 L HN 0.238 nan 8.230 nan 0.000 0.435 193 R N 0.929 121.343 120.500 -0.144 0.000 2.066 193 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 193 R C 2.102 178.434 176.300 0.053 0.000 1.131 193 R CA 1.574 57.722 56.100 0.080 0.000 0.955 193 R CB -0.629 29.781 30.300 0.183 0.000 0.851 193 R HN 0.218 nan 8.270 nan 0.000 0.432 194 I N 0.307 120.892 120.570 0.026 0.000 2.151 194 I HA -0.348 3.822 4.170 -0.000 0.000 0.243 194 I C 2.100 178.222 176.117 0.009 0.000 1.080 194 I CA 1.470 62.781 61.300 0.019 0.000 1.339 194 I CB -0.306 37.696 38.000 0.003 0.000 1.039 194 I HN 0.179 nan 8.210 nan 0.000 0.409 195 L N -0.215 120.995 121.223 -0.021 0.000 2.017 195 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 195 L C 2.653 179.550 176.870 0.046 0.000 1.073 195 L CA 1.667 56.502 54.840 -0.008 0.000 0.745 195 L CB -0.899 41.135 42.059 -0.040 0.000 0.894 195 L HN 0.248 nan 8.230 nan 0.000 0.432 196 T N -0.840 113.751 114.554 0.062 0.000 2.665 196 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 196 T C 1.425 176.199 174.700 0.124 0.000 1.035 196 T CA 1.736 63.918 62.100 0.136 0.000 1.151 196 T CB -0.298 68.704 68.868 0.222 0.000 0.862 196 T HN 0.312 nan 8.240 nan 0.000 0.438 197 D N 0.836 121.296 120.400 0.100 0.000 2.264 197 D HA 0.085 4.725 4.640 -0.000 0.000 0.208 197 D C 2.154 178.503 176.300 0.083 0.000 0.966 197 D CA 0.861 54.914 54.000 0.089 0.000 0.864 197 D CB -0.253 40.592 40.800 0.074 0.000 0.933 197 D HN 0.442 nan 8.370 nan 0.000 0.499 198 A N 0.164 123.028 122.820 0.075 0.000 1.903 198 A HA 0.036 4.356 4.320 -0.000 0.000 0.213 198 A C 2.274 179.935 177.584 0.129 0.000 1.185 198 A CA 0.313 52.393 52.037 0.072 0.000 0.628 198 A CB -0.511 18.503 19.000 0.023 0.000 0.830 198 A HN 0.146 nan 8.150 nan 0.000 0.446 199 L N -0.393 120.917 121.223 0.146 0.000 2.046 199 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 199 L C 2.529 179.522 176.870 0.205 0.000 1.077 199 L CA 0.956 55.926 54.840 0.216 0.000 0.747 199 L CB -0.508 41.668 42.059 0.196 0.000 0.896 199 L HN 0.238 nan 8.230 nan 0.000 0.432 200 V N 0.506 120.511 119.914 0.152 0.000 2.233 200 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 200 V C -0.190 175.972 176.094 0.113 0.000 1.050 200 V CA 2.262 64.632 62.300 0.116 0.000 1.010 200 V CB -1.789 30.091 31.823 0.094 0.000 0.637 200 V HN 0.364 nan 8.190 nan 0.000 0.444 201 P HA -0.217 nan 4.420 nan 0.000 0.218 201 P C 1.537 178.973 177.300 0.226 0.000 1.148 201 P CA 1.720 64.901 63.100 0.134 0.000 0.822 201 P CB -0.181 31.598 31.700 0.132 0.000 0.784 202 Y N 1.253 121.637 120.300 0.140 0.000 2.145 202 Y HA -0.148 4.402 4.550 -0.000 0.000 0.286 202 Y C 2.357 178.374 175.900 0.195 0.000 1.145 202 Y CA 1.278 59.515 58.100 0.229 0.000 1.148 202 Y CB -1.352 37.174 38.460 0.110 0.000 0.981 202 Y HN -0.241 nan 8.280 nan 0.000 0.507 203 L N -1.271 119.938 121.223 -0.022 0.000 2.046 203 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 203 L C 2.430 179.235 176.870 -0.109 0.000 1.077 203 L CA 1.124 55.879 54.840 -0.143 0.000 0.747 203 L CB -0.852 41.187 42.059 -0.035 0.000 0.896 203 L HN 0.061 nan 8.230 nan 0.000 0.432 204 V N 0.305 120.185 119.914 -0.057 0.000 2.255 204 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 204 V C 2.669 178.646 176.094 -0.195 0.000 1.051 204 V CA 2.127 64.376 62.300 -0.085 0.000 1.018 204 V CB -1.454 30.344 31.823 -0.043 0.000 0.641 204 V HN 0.584 nan 8.190 nan 0.000 0.445 205 G N -0.924 107.701 108.800 -0.292 0.000 2.469 205 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.219 205 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.219 205 G C 1.472 175.835 174.900 -0.894 0.000 1.150 205 G CA 1.031 45.618 45.100 -0.855 0.000 0.763 205 G HN 0.592 nan 8.290 nan 0.000 0.561 206 Q N -0.300 119.275 119.800 -0.374 0.000 2.124 206 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 206 Q C 2.836 178.742 176.000 -0.156 0.000 0.977 206 Q CA 1.259 56.967 55.803 -0.159 0.000 0.850 206 Q CB -0.233 28.395 28.738 -0.183 0.000 0.901 206 Q HN 0.435 nan 8.270 nan 0.000 0.429 207 V N 0.296 120.116 119.914 -0.157 0.000 2.379 207 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 207 V C 2.272 178.313 176.094 -0.089 0.000 1.044 207 V CA 1.223 63.462 62.300 -0.102 0.000 1.036 207 V CB -0.353 31.429 31.823 -0.069 0.000 0.664 207 V HN 0.160 nan 8.190 nan 0.000 0.453 208 V N 0.597 120.430 119.914 -0.136 0.000 2.392 208 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 208 V C 2.590 178.665 176.094 -0.031 0.000 1.059 208 V CA 2.102 64.344 62.300 -0.098 0.000 1.051 208 V CB -1.082 30.637 31.823 -0.173 0.000 0.658 208 V HN 0.571 nan 8.190 nan 0.000 0.455 209 A N -1.038 121.724 122.820 -0.096 0.000 2.167 209 A HA 0.354 4.674 4.320 -0.000 0.000 0.214 209 A C 1.918 179.543 177.584 0.069 0.000 1.151 209 A CA 1.358 53.419 52.037 0.040 0.000 0.735 209 A CB -0.197 18.831 19.000 0.047 0.000 0.802 209 A HN 1.135 nan 8.150 nan 0.000 0.467 210 G N -2.696 106.060 108.800 -0.073 0.000 2.273 210 G HA2 0.245 4.205 3.960 -0.000 0.000 0.162 210 G HA3 0.245 4.205 3.960 -0.000 0.000 0.162 210 G C 0.329 175.040 174.900 -0.314 0.000 1.006 210 G CA -0.030 44.845 45.100 -0.376 0.000 0.704 210 G HN 1.364 nan 8.290 nan 0.000 0.487 211 A N 0.103 122.824 122.820 -0.166 0.000 2.511 211 A HA 0.570 4.890 4.320 -0.000 0.000 0.242 211 A C 1.036 178.562 177.584 -0.096 0.000 1.069 211 A CA 1.171 53.135 52.037 -0.122 0.000 0.763 211 A CB 0.265 19.214 19.000 -0.085 0.000 1.001 211 A HN 0.479 nan 8.150 nan 0.000 0.498 212 Q N 0.268 120.024 119.800 -0.073 0.000 2.282 212 Q HA 0.450 4.790 4.340 -0.000 0.000 0.206 212 Q C 0.159 176.180 176.000 0.034 0.000 0.878 212 Q CA 0.696 56.491 55.803 -0.014 0.000 0.944 212 Q CB 0.583 29.318 28.738 -0.006 0.000 1.100 212 Q HN 0.925 nan 8.270 nan 0.000 0.509 213 A N 0.336 123.166 122.820 0.017 0.000 2.601 213 A HA 0.713 5.033 4.320 -0.000 0.000 0.291 213 A C -1.948 175.645 177.584 0.016 0.000 1.075 213 A CA -0.650 51.407 52.037 0.033 0.000 0.671 213 A CB 1.138 20.248 19.000 0.183 0.000 1.277 213 A HN 0.139 nan 8.150 nan 0.000 0.417 214 L N 0.684 121.925 121.223 0.029 0.000 2.431 214 L HA 0.641 4.981 4.340 -0.000 0.000 0.266 214 L C -0.410 176.534 176.870 0.122 0.000 0.978 214 L CA -0.403 54.476 54.840 0.064 0.000 0.822 214 L CB 2.332 44.417 42.059 0.042 0.000 1.310 214 L HN 0.887 nan 8.230 nan 0.000 0.409 215 Q N 2.632 122.536 119.800 0.174 0.000 2.331 215 Q HA 0.554 4.894 4.340 -0.000 0.000 0.267 215 Q C -1.687 174.442 176.000 0.215 0.000 1.006 215 Q CA -0.772 55.114 55.803 0.138 0.000 0.818 215 Q CB 2.298 31.039 28.738 0.005 0.000 1.276 215 Q HN 0.526 nan 8.270 nan 0.000 0.450 216 L N 4.545 125.880 121.223 0.186 0.000 2.264 216 L HA 0.466 4.805 4.340 -0.000 0.000 0.289 216 L C -1.536 175.447 176.870 0.188 0.000 1.044 216 L CA 0.085 55.078 54.840 0.256 0.000 0.807 216 L CB 0.675 42.903 42.059 0.282 0.000 1.192 216 L HN 0.656 nan 8.230 nan 0.000 0.425 217 F N 3.454 123.593 119.950 0.315 0.000 2.303 217 F HA 0.278 4.805 4.527 -0.000 0.000 0.368 217 F C 0.493 176.452 175.800 0.264 0.000 1.105 217 F CA -0.442 57.772 58.000 0.358 0.000 1.153 217 F CB 0.899 40.103 39.000 0.340 0.000 1.362 217 F HN 0.472 nan 8.300 nan 0.000 0.511 218 E N 1.556 121.952 120.200 0.326 0.000 2.127 218 E HA 0.172 4.522 4.350 -0.000 0.000 0.262 218 E C 0.578 177.297 176.600 0.199 0.000 1.144 218 E CA -0.012 56.540 56.400 0.253 0.000 1.144 218 E CB 0.134 29.963 29.700 0.215 0.000 1.297 218 E HN 0.472 nan 8.360 nan 0.000 0.469 219 S N 1.361 117.209 115.700 0.246 0.000 2.423 219 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 219 S C 0.662 175.452 174.600 0.318 0.000 1.014 219 S CA 0.807 59.152 58.200 0.242 0.000 0.965 219 S CB -0.235 63.082 63.200 0.196 0.000 0.785 219 S HN 0.643 nan 8.310 nan 0.000 0.495 220 H N 0.019 119.278 119.070 0.314 0.000 2.488 220 H HA 0.476 5.032 4.556 -0.000 0.000 0.294 220 H C 1.728 177.454 175.328 0.663 0.000 1.088 220 H CA -0.075 56.230 56.048 0.427 0.000 1.086 220 H CB 0.205 30.064 29.762 0.161 0.000 1.569 220 H HN 0.366 nan 8.280 nan 0.000 0.548 221 A N 0.702 123.876 122.820 0.590 0.000 1.883 221 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 221 A C 2.549 180.418 177.584 0.475 0.000 1.186 221 A CA 1.757 54.119 52.037 0.542 0.000 0.624 221 A CB -1.001 18.157 19.000 0.263 0.000 0.822 221 A HN 0.546 nan 8.150 nan 0.000 0.444 222 G N -1.996 106.973 108.800 0.282 0.000 2.559 222 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.216 222 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.216 222 G C 1.145 176.123 174.900 0.130 0.000 1.126 222 G CA 1.000 46.226 45.100 0.211 0.000 0.778 222 G HN 0.762 nan 8.290 nan 0.000 0.543 223 H N -0.541 118.690 119.070 0.268 0.000 2.495 223 H HA 0.207 4.763 4.556 -0.000 0.000 0.287 223 H C 0.922 176.333 175.328 0.138 0.000 1.033 223 H CA 0.216 56.385 56.048 0.201 0.000 1.307 223 H CB 0.084 29.993 29.762 0.244 0.000 1.401 223 H HN 0.204 nan 8.280 nan 0.000 0.555 224 L N 0.540 121.903 121.223 0.233 0.000 2.334 224 L HA 0.331 4.671 4.340 -0.000 0.000 0.277 224 L C 1.184 177.931 176.870 -0.205 0.000 1.075 224 L CA -0.818 54.040 54.840 0.029 0.000 0.804 224 L CB 1.402 43.456 42.059 -0.009 0.000 1.174 224 L HN 0.205 nan 8.230 nan 0.000 0.438 225 G N 1.560 110.179 108.800 -0.301 0.000 2.588 225 G HA2 0.295 4.254 3.960 -0.000 0.000 0.281 225 G HA3 0.295 4.254 3.960 -0.000 0.000 0.281 225 G C -1.993 172.480 174.900 -0.711 0.000 1.236 225 G CA -0.973 43.740 45.100 -0.644 0.000 0.969 225 G HN 0.427 nan 8.290 nan 0.000 0.504 226 P HA -0.154 nan 4.420 nan 0.000 0.215 226 P C 1.713 179.013 177.300 -0.001 0.000 1.157 226 P CA 1.536 64.489 63.100 -0.245 0.000 0.874 226 P CB 0.165 31.778 31.700 -0.145 0.000 0.790 227 Q N -0.966 118.813 119.800 -0.035 0.000 2.046 227 Q HA -0.069 4.270 4.340 -0.000 0.000 0.200 227 Q C 2.300 178.331 176.000 0.052 0.000 0.975 227 Q CA 1.160 56.978 55.803 0.025 0.000 0.836 227 Q CB -1.068 27.686 28.738 0.027 0.000 0.896 227 Q HN 0.209 nan 8.270 nan 0.000 0.428 228 L N -0.465 120.777 121.223 0.032 0.000 2.046 228 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 228 L C 2.246 179.161 176.870 0.076 0.000 1.077 228 L CA 1.186 56.053 54.840 0.045 0.000 0.747 228 L CB -0.372 41.612 42.059 -0.124 0.000 0.896 228 L HN 0.259 nan 8.230 nan 0.000 0.432 229 F N 1.409 121.324 119.950 -0.058 0.000 2.095 229 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 229 F C 2.372 178.195 175.800 0.038 0.000 1.104 229 F CA 1.775 59.781 58.000 0.011 0.000 1.232 229 F CB -0.186 38.953 39.000 0.232 0.000 0.987 229 F HN 0.147 nan 8.300 nan 0.000 0.475 230 N N 0.636 119.499 118.700 0.272 0.000 2.223 230 N HA -0.155 4.585 4.740 -0.000 0.000 0.185 230 N C 1.631 177.112 175.510 -0.049 0.000 1.016 230 N CA 1.340 54.462 53.050 0.120 0.000 0.863 230 N CB -0.321 38.240 38.487 0.124 0.000 0.983 230 N HN 0.431 nan 8.380 nan 0.000 0.429 231 K N -0.954 119.385 120.400 -0.101 0.000 2.137 231 K HA 0.088 4.408 4.320 -0.000 0.000 0.202 231 K C 0.954 177.327 176.600 -0.379 0.000 1.052 231 K CA 0.825 56.924 56.287 -0.312 0.000 0.961 231 K CB 0.086 32.253 32.500 -0.555 0.000 0.741 231 K HN 0.159 nan 8.250 nan 0.000 0.452 232 F N -1.246 118.672 119.950 -0.053 0.000 2.752 232 F HA 0.251 4.778 4.527 -0.000 0.000 0.310 232 F C 1.747 177.579 175.800 0.054 0.000 1.097 232 F CA -0.145 57.859 58.000 0.007 0.000 1.238 232 F CB 0.640 39.499 39.000 -0.235 0.000 1.061 232 F HN -0.069 nan 8.300 nan 0.000 0.591 233 A N -0.350 122.410 122.820 -0.101 0.000 1.969 233 A HA 0.145 4.464 4.320 -0.000 0.000 0.205 233 A C 1.694 179.082 177.584 -0.326 0.000 1.364 233 A CA 0.271 52.144 52.037 -0.274 0.000 0.756 233 A CB -0.859 17.663 19.000 -0.797 0.000 0.988 233 A HN 0.156 nan 8.150 nan 0.000 0.490 234 L N 1.021 121.898 121.223 -0.577 0.000 2.013 234 L HA -0.052 4.288 4.340 -0.000 0.000 0.212 234 L C -0.959 175.837 176.870 -0.124 0.000 1.073 234 L CA 2.587 57.273 54.840 -0.257 0.000 0.753 234 L CB -1.134 40.895 42.059 -0.049 0.000 0.890 234 L HN 0.174 nan 8.230 nan 0.000 0.432 235 P HA -0.182 nan 4.420 nan 0.000 0.215 235 P C 1.164 178.256 177.300 -0.346 0.000 1.153 235 P CA 1.752 64.647 63.100 -0.342 0.000 0.853 235 P CB -0.185 31.165 31.700 -0.584 0.000 0.788 236 Y N -1.192 119.132 120.300 0.039 0.000 2.263 236 Y HA -0.045 4.505 4.550 -0.000 0.000 0.292 236 Y C 2.376 178.340 175.900 0.108 0.000 1.130 236 Y CA 0.476 58.625 58.100 0.081 0.000 1.179 236 Y CB -1.116 37.406 38.460 0.102 0.000 0.998 236 Y HN -0.150 nan 8.280 nan 0.000 0.532 237 I N 0.120 120.816 120.570 0.210 0.000 2.208 237 I HA -0.336 3.833 4.170 -0.000 0.000 0.245 237 I C 2.331 178.630 176.117 0.303 0.000 1.097 237 I CA 1.502 62.937 61.300 0.224 0.000 1.363 237 I CB -0.328 37.736 38.000 0.107 0.000 1.051 237 I HN 0.174 nan 8.210 nan 0.000 0.413 238 R N 0.479 121.091 120.500 0.188 0.000 2.066 238 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 238 R C 1.982 178.348 176.300 0.110 0.000 1.131 238 R CA 1.632 57.829 56.100 0.162 0.000 0.955 238 R CB -0.458 29.886 30.300 0.073 0.000 0.851 238 R HN 0.317 nan 8.270 nan 0.000 0.432 239 D N 0.327 120.776 120.400 0.082 0.000 2.116 239 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 239 D C 1.983 178.346 176.300 0.104 0.000 0.998 239 D CA 1.169 55.218 54.000 0.081 0.000 0.836 239 D CB -0.360 40.497 40.800 0.095 0.000 0.951 239 D HN -0.010 nan 8.370 nan 0.000 0.449 240 V N 1.321 121.331 119.914 0.159 0.000 2.255 240 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 240 V C 2.522 178.653 176.094 0.061 0.000 1.051 240 V CA 2.049 64.440 62.300 0.151 0.000 1.018 240 V CB -0.912 31.049 31.823 0.230 0.000 0.641 240 V HN 0.226 nan 8.190 nan 0.000 0.445 241 A N -0.457 122.357 122.820 -0.010 0.000 1.865 241 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 241 A C 2.355 179.869 177.584 -0.118 0.000 1.191 241 A CA 2.333 54.223 52.037 -0.245 0.000 0.623 241 A CB -0.586 18.015 19.000 -0.665 0.000 0.826 241 A HN 0.519 nan 8.150 nan 0.000 0.444 242 K N -0.616 119.754 120.400 -0.050 0.000 2.032 242 K HA -0.237 4.083 4.320 -0.000 0.000 0.209 242 K C 2.274 178.870 176.600 -0.007 0.000 1.048 242 K CA 1.973 58.247 56.287 -0.021 0.000 0.927 242 K CB -0.218 32.283 32.500 0.002 0.000 0.712 242 K HN 0.661 nan 8.250 nan 0.000 0.441 243 Q N -0.205 119.602 119.800 0.011 0.000 2.123 243 Q HA -0.080 4.260 4.340 -0.000 0.000 0.199 243 Q C 2.120 178.129 176.000 0.015 0.000 0.966 243 Q CA 1.051 56.867 55.803 0.022 0.000 0.845 243 Q CB 0.223 28.988 28.738 0.044 0.000 0.907 243 Q HN 0.144 nan 8.270 nan 0.000 0.439 244 V N 1.331 121.249 119.914 0.006 0.000 2.307 244 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 244 V C 2.039 178.127 176.094 -0.010 0.000 1.045 244 V CA 1.747 64.046 62.300 -0.001 0.000 1.024 244 V CB -0.367 31.451 31.823 -0.010 0.000 0.651 244 V HN 0.277 nan 8.190 nan 0.000 0.449 245 K N 0.102 120.489 120.400 -0.021 0.000 2.063 245 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 245 K C 2.298 178.898 176.600 -0.001 0.000 1.048 245 K CA 1.529 57.809 56.287 -0.011 0.000 0.928 245 K CB -0.425 32.064 32.500 -0.019 0.000 0.713 245 K HN 0.482 nan 8.250 nan 0.000 0.442 246 A N 1.745 124.565 122.820 -0.001 0.000 1.845 246 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 246 A C 2.064 179.650 177.584 0.004 0.000 1.195 246 A CA 1.358 53.397 52.037 0.003 0.000 0.616 246 A CB -0.490 18.514 19.000 0.006 0.000 0.832 246 A HN 0.189 nan 8.150 nan 0.000 0.443 247 R N -0.571 119.932 120.500 0.005 0.000 2.113 247 R HA -0.163 4.177 4.340 -0.000 0.000 0.244 247 R C 2.142 178.441 176.300 -0.002 0.000 1.142 247 R CA 1.687 57.789 56.100 0.004 0.000 0.953 247 R CB -0.780 29.524 30.300 0.006 0.000 0.860 247 R HN 0.542 nan 8.270 nan 0.000 0.438 248 L N 0.157 121.378 121.223 -0.003 0.000 2.046 248 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 248 L C 2.741 179.612 176.870 0.001 0.000 1.077 248 L CA 1.425 56.263 54.840 -0.003 0.000 0.747 248 L CB -0.402 41.657 42.059 0.001 0.000 0.896 248 L HN 0.197 nan 8.230 nan 0.000 0.432 249 R N 0.205 120.707 120.500 0.003 0.000 2.080 249 R HA -0.203 4.137 4.340 -0.000 0.000 0.236 249 R C 2.164 178.464 176.300 -0.001 0.000 1.137 249 R CA 1.847 57.948 56.100 0.001 0.000 0.943 249 R CB -0.410 29.890 30.300 0.001 0.000 0.846 249 R HN 0.440 nan 8.270 nan 0.000 0.431 250 E N 0.338 120.537 120.200 -0.001 0.000 2.160 250 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 250 E C 1.663 178.262 176.600 -0.002 0.000 0.991 250 E CA 1.116 57.516 56.400 -0.001 0.000 0.810 250 E CB -0.068 29.632 29.700 0.001 0.000 0.742 250 E HN 0.372 nan 8.360 nan 0.000 0.466 251 A N 0.343 123.161 122.820 -0.004 0.000 2.235 251 A HA 0.226 4.546 4.320 -0.000 0.000 0.208 251 A C 1.747 179.328 177.584 -0.005 0.000 1.172 251 A CA 0.746 52.780 52.037 -0.006 0.000 0.786 251 A CB -0.462 18.532 19.000 -0.012 0.000 0.804 251 A HN 0.330 nan 8.150 nan 0.000 0.479 252 G N -1.403 107.395 108.800 -0.003 0.000 2.143 252 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.248 252 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.248 252 G C 0.022 174.922 174.900 0.000 0.000 0.991 252 G CA 0.477 45.575 45.100 -0.003 0.000 0.689 252 G HN 0.454 nan 8.290 nan 0.000 0.522 253 L N 0.136 121.360 121.223 0.003 0.000 2.344 253 L HA 0.775 5.115 4.340 -0.000 0.000 0.272 253 L C 1.031 177.909 176.870 0.013 0.000 1.035 253 L CA -0.684 54.162 54.840 0.010 0.000 0.807 253 L CB 1.662 43.726 42.059 0.008 0.000 1.237 253 L HN 0.263 nan 8.230 nan 0.000 0.442 254 A N 3.052 125.885 122.820 0.022 0.000 2.388 254 A HA 0.509 4.829 4.320 -0.000 0.000 0.257 254 A C -2.140 175.480 177.584 0.059 0.000 1.095 254 A CA -1.085 50.969 52.037 0.028 0.000 0.791 254 A CB -0.478 18.538 19.000 0.027 0.000 1.029 254 A HN 0.469 nan 8.150 nan 0.000 0.489 255 P HA 0.277 nan 4.420 nan 0.000 0.269 255 P C -0.263 177.176 177.300 0.232 0.000 1.217 255 P CA 0.066 63.252 63.100 0.142 0.000 0.783 255 P CB 0.557 32.374 31.700 0.195 0.000 0.898 256 V N -2.676 117.343 119.914 0.174 0.000 2.960 256 V HA 0.619 4.739 4.120 -0.000 0.000 0.315 256 V C -2.777 173.284 176.094 -0.054 0.000 1.087 256 V CA -3.248 59.141 62.300 0.149 0.000 0.982 256 V CB 1.125 32.979 31.823 0.052 0.000 1.039 256 V HN 0.280 nan 8.190 nan 0.000 0.437 257 P HA 0.331 nan 4.420 nan 0.000 0.268 257 P C -0.688 176.427 177.300 -0.309 0.000 1.204 257 P CA 0.336 62.990 63.100 -0.743 0.000 0.768 257 P CB 0.273 31.421 31.700 -0.921 0.000 0.842 258 M N 3.299 122.756 119.600 -0.239 0.000 2.383 258 M HA 0.446 4.926 4.480 -0.000 0.000 0.325 258 M C -0.327 176.058 176.300 0.142 0.000 1.092 258 M CA -0.589 54.689 55.300 -0.036 0.000 0.961 258 M CB 1.564 34.085 32.600 -0.132 0.000 1.672 258 M HN 0.140 nan 8.290 nan 0.000 0.438 259 I N 3.325 124.032 120.570 0.228 0.000 2.378 259 I HA 0.410 4.580 4.170 -0.000 0.000 0.291 259 I C -0.760 175.456 176.117 0.165 0.000 0.992 259 I CA -0.677 60.740 61.300 0.196 0.000 1.154 259 I CB 1.667 39.750 38.000 0.138 0.000 1.315 259 I HN 0.505 nan 8.210 nan 0.000 0.448 260 I N 7.269 127.797 120.570 -0.070 0.000 2.321 260 I HA 0.391 4.561 4.170 -0.000 0.000 0.291 260 I C -1.264 174.823 176.117 -0.050 0.000 0.998 260 I CA -0.354 60.758 61.300 -0.313 0.000 1.227 260 I CB 0.712 38.185 38.000 -0.879 0.000 1.368 260 I HN 0.389 nan 8.210 nan 0.000 0.466 261 F N 8.469 128.320 119.950 -0.165 0.000 2.402 261 F HA 0.775 5.301 4.527 -0.000 0.000 0.355 261 F C -0.426 175.370 175.800 -0.007 0.000 1.123 261 F CA -0.895 57.042 58.000 -0.106 0.000 1.021 261 F CB 1.046 39.925 39.000 -0.202 0.000 1.160 261 F HN 0.548 nan 8.300 nan 0.000 0.451 262 A N 7.387 129.896 122.820 -0.518 0.000 2.508 262 A HA 0.317 4.637 4.320 -0.000 0.000 0.336 262 A C -0.248 176.924 177.584 -0.687 0.000 1.360 262 A CA -0.842 50.913 52.037 -0.470 0.000 0.841 262 A CB 0.123 18.985 19.000 -0.229 0.000 1.136 262 A HN 0.750 nan 8.150 nan 0.000 0.489 263 K N 2.330 122.205 120.400 -0.874 0.000 2.451 263 K HA 0.042 4.362 4.320 -0.000 0.000 0.280 263 K C -0.627 175.816 176.600 -0.262 0.000 1.020 263 K CA 0.390 56.349 56.287 -0.546 0.000 1.008 263 K CB 0.150 32.539 32.500 -0.185 0.000 0.917 263 K HN 0.715 nan 8.250 nan 0.000 0.478 264 D N 2.305 122.554 120.400 -0.252 0.000 2.870 264 D HA -0.146 4.494 4.640 -0.000 0.000 0.228 264 D C 0.211 176.395 176.300 -0.194 0.000 1.147 264 D CA 1.278 55.184 54.000 -0.157 0.000 0.757 264 D CB -1.134 39.609 40.800 -0.096 0.000 1.091 264 D HN 0.853 nan 8.370 nan 0.000 0.429 265 G N 0.103 108.652 108.800 -0.418 0.000 3.805 265 G HA2 0.046 4.006 3.960 -0.000 0.000 0.290 265 G HA3 0.046 4.006 3.960 -0.000 0.000 0.290 265 G C 1.328 175.648 174.900 -0.967 0.000 1.077 265 G CA 0.106 44.650 45.100 -0.928 0.000 0.852 265 G HN 0.537 nan 8.290 nan 0.000 0.531 266 H N 0.788 119.560 119.070 -0.496 0.000 2.400 266 H HA -0.267 4.288 4.556 -0.000 0.000 0.295 266 H C 1.909 177.060 175.328 -0.296 0.000 1.118 266 H CA 1.598 57.466 56.048 -0.300 0.000 1.256 266 H CB -0.839 28.836 29.762 -0.146 0.000 1.365 266 H HN 0.572 nan 8.280 nan 0.000 0.502 267 F N 0.793 120.126 119.950 -1.028 0.000 2.502 267 F HA 0.449 4.976 4.527 -0.000 0.000 0.298 267 F C 2.268 177.810 175.800 -0.430 0.000 1.111 267 F CA 0.413 58.035 58.000 -0.631 0.000 1.445 267 F CB -0.237 38.356 39.000 -0.678 0.000 1.081 267 F HN 0.286 nan 8.300 nan 0.000 0.558 268 A N 0.364 122.639 122.820 -0.908 0.000 2.431 268 A HA 0.383 4.703 4.320 -0.000 0.000 0.239 268 A C 1.838 179.189 177.584 -0.388 0.000 1.230 268 A CA -0.225 51.400 52.037 -0.687 0.000 0.928 268 A CB -0.712 17.439 19.000 -1.415 0.000 1.006 268 A HN 0.430 nan 8.150 nan 0.000 0.520 269 L N -0.396 120.632 121.223 -0.325 0.000 2.042 269 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 269 L C 2.478 179.297 176.870 -0.085 0.000 1.076 269 L CA 1.676 56.410 54.840 -0.175 0.000 0.749 269 L CB -0.472 41.513 42.059 -0.123 0.000 0.893 269 L HN 0.494 nan 8.230 nan 0.000 0.432 270 E N 0.018 120.177 120.200 -0.067 0.000 2.051 270 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 270 E C 2.109 178.709 176.600 -0.001 0.000 0.991 270 E CA 1.355 57.742 56.400 -0.021 0.000 0.799 270 E CB 0.010 29.704 29.700 -0.010 0.000 0.748 270 E HN 0.553 nan 8.360 nan 0.000 0.449 271 E N 0.481 120.679 120.200 -0.002 0.000 2.072 271 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 271 E C 2.293 178.927 176.600 0.056 0.000 0.985 271 E CA 0.598 57.023 56.400 0.042 0.000 0.801 271 E CB -0.054 29.695 29.700 0.081 0.000 0.750 271 E HN 0.248 nan 8.360 nan 0.000 0.452 272 L N 0.665 121.901 121.223 0.022 0.000 2.131 272 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 272 L C 2.510 179.408 176.870 0.047 0.000 1.092 272 L CA 0.734 55.588 54.840 0.024 0.000 0.759 272 L CB -0.389 41.641 42.059 -0.048 0.000 0.903 272 L HN 0.129 nan 8.230 nan 0.000 0.435 273 A N -1.033 121.809 122.820 0.037 0.000 2.125 273 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 273 A C 1.940 179.571 177.584 0.078 0.000 1.156 273 A CA 1.130 53.202 52.037 0.059 0.000 0.671 273 A CB -0.144 18.881 19.000 0.042 0.000 0.794 273 A HN 0.398 nan 8.150 nan 0.000 0.459 274 Q N -1.337 118.510 119.800 0.078 0.000 2.220 274 Q HA 0.347 4.687 4.340 -0.000 0.000 0.205 274 Q C 1.331 177.395 176.000 0.107 0.000 0.865 274 Q CA 0.694 56.545 55.803 0.080 0.000 0.960 274 Q CB 0.306 29.080 28.738 0.059 0.000 1.097 274 Q HN 0.609 nan 8.270 nan 0.000 0.493 275 A N -0.270 122.648 122.820 0.164 0.000 2.275 275 A HA 0.454 4.774 4.320 -0.000 0.000 0.212 275 A C 1.285 179.041 177.584 0.288 0.000 1.201 275 A CA 0.739 52.915 52.037 0.231 0.000 0.843 275 A CB 0.194 19.349 19.000 0.257 0.000 0.873 275 A HN 0.335 nan 8.150 nan 0.000 0.492 276 G N -2.164 106.762 108.800 0.210 0.000 2.143 276 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.175 276 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.175 276 G C -0.361 174.473 174.900 -0.109 0.000 1.004 276 G CA -0.133 44.986 45.100 0.031 0.000 0.671 276 G HN 0.323 nan 8.290 nan 0.000 0.512 277 Y N 0.196 120.510 120.300 0.023 0.000 2.360 277 Y HA 0.585 5.135 4.550 -0.000 0.000 0.337 277 Y C 1.360 177.244 175.900 -0.027 0.000 1.039 277 Y CA -0.806 57.293 58.100 -0.002 0.000 1.109 277 Y CB 1.580 40.049 38.460 0.014 0.000 1.201 277 Y HN 0.058 nan 8.280 nan 0.000 0.458 278 E N 1.139 121.344 120.200 0.007 0.000 2.150 278 E HA -0.011 4.339 4.350 -0.000 0.000 0.193 278 E C -0.431 176.151 176.600 -0.030 0.000 0.985 278 E CA 0.883 57.238 56.400 -0.075 0.000 0.814 278 E CB 0.128 29.619 29.700 -0.349 0.000 0.752 278 E HN 0.283 nan 8.360 nan 0.000 0.466 279 V N 0.293 120.218 119.914 0.018 0.000 2.709 279 V HA 0.338 4.458 4.120 -0.000 0.000 0.308 279 V C -0.717 175.421 176.094 0.074 0.000 1.062 279 V CA -0.988 61.326 62.300 0.023 0.000 0.901 279 V CB 2.383 34.192 31.823 -0.023 0.000 1.003 279 V HN -0.274 nan 8.190 nan 0.000 0.425 280 V N 3.112 123.067 119.914 0.068 0.000 2.378 280 V HA 0.698 4.818 4.120 -0.000 0.000 0.288 280 V C 0.700 176.854 176.094 0.099 0.000 1.016 280 V CA -0.292 62.043 62.300 0.059 0.000 0.840 280 V CB 1.687 33.535 31.823 0.041 0.000 0.994 280 V HN 0.998 nan 8.190 nan 0.000 0.431 281 G N 5.041 113.926 108.800 0.141 0.000 2.377 281 G HA2 0.683 4.643 3.960 -0.000 0.000 0.299 281 G HA3 0.683 4.643 3.960 -0.000 0.000 0.299 281 G C -0.884 174.223 174.900 0.344 0.000 1.150 281 G CA -0.430 44.814 45.100 0.239 0.000 0.847 281 G HN 0.587 nan 8.290 nan 0.000 0.501 282 L N 1.120 122.539 121.223 0.326 0.000 2.354 282 L HA 0.423 4.763 4.340 -0.000 0.000 0.269 282 L C -0.229 176.871 176.870 0.384 0.000 1.005 282 L CA -1.248 53.755 54.840 0.272 0.000 0.819 282 L CB 2.276 44.478 42.059 0.239 0.000 1.311 282 L HN 0.711 nan 8.230 nan 0.000 0.423 283 D N -0.902 119.640 120.400 0.237 0.000 2.411 283 D HA 0.047 4.686 4.640 -0.000 0.000 0.251 283 D C 0.631 177.007 176.300 0.126 0.000 1.201 283 D CA -0.581 53.537 54.000 0.198 0.000 0.996 283 D CB 0.536 41.229 40.800 -0.179 0.000 1.101 283 D HN 0.634 nan 8.370 nan 0.000 0.504 284 W N -0.907 120.458 121.300 0.108 0.000 3.077 284 W HA 0.061 4.721 4.660 -0.000 0.000 0.245 284 W C 1.350 177.892 176.519 0.039 0.000 1.316 284 W CA 0.537 57.923 57.345 0.069 0.000 1.537 284 W CB -0.931 28.551 29.460 0.036 0.000 1.131 284 W HN 0.401 nan 8.180 nan 0.000 0.695 285 T N -1.700 112.527 114.554 -0.544 0.000 3.088 285 T HA 0.097 4.447 4.350 -0.000 0.000 0.259 285 T C 0.496 175.090 174.700 -0.177 0.000 1.122 285 T CA 0.156 62.029 62.100 -0.379 0.000 1.095 285 T CB -0.625 67.953 68.868 -0.484 0.000 0.930 285 T HN -0.069 nan 8.240 nan 0.000 0.508 286 V N 2.405 122.251 119.914 -0.114 0.000 2.432 286 V HA 0.674 4.794 4.120 -0.000 0.000 0.275 286 V C 0.805 176.867 176.094 -0.053 0.000 1.043 286 V CA -1.451 60.810 62.300 -0.066 0.000 0.925 286 V CB 0.471 32.273 31.823 -0.034 0.000 0.985 286 V HN 0.604 nan 8.190 nan 0.000 0.466 287 A N 7.115 129.887 122.820 -0.079 0.000 2.520 287 A HA 0.362 4.682 4.320 -0.000 0.000 0.245 287 A C -1.155 176.307 177.584 -0.204 0.000 1.072 287 A CA -0.749 51.215 52.037 -0.122 0.000 0.761 287 A CB -0.038 18.899 19.000 -0.106 0.000 1.004 287 A HN 0.726 nan 8.150 nan 0.000 0.499 288 P HA -0.202 nan 4.420 nan 0.000 0.215 288 P C 1.232 178.260 177.300 -0.453 0.000 1.157 288 P CA 1.684 64.311 63.100 -0.787 0.000 0.874 288 P CB 0.093 30.784 31.700 -1.682 0.000 0.790 289 K N -0.380 119.820 120.400 -0.333 0.000 2.103 289 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 289 K C 2.135 178.666 176.600 -0.115 0.000 1.048 289 K CA 1.204 57.380 56.287 -0.185 0.000 0.930 289 K CB -0.252 32.165 32.500 -0.139 0.000 0.716 289 K HN 0.080 nan 8.250 nan 0.000 0.444 290 K N 0.368 120.704 120.400 -0.108 0.000 2.103 290 K HA -0.041 4.279 4.320 -0.000 0.000 0.204 290 K C 2.145 178.717 176.600 -0.046 0.000 1.052 290 K CA 0.988 57.236 56.287 -0.065 0.000 0.945 290 K CB -0.063 32.402 32.500 -0.058 0.000 0.722 290 K HN 0.115 nan 8.250 nan 0.000 0.443 291 A N 1.334 124.121 122.820 -0.055 0.000 1.902 291 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 291 A C 2.164 179.757 177.584 0.016 0.000 1.181 291 A CA 1.665 53.698 52.037 -0.007 0.000 0.623 291 A CB -0.377 18.645 19.000 0.036 0.000 0.818 291 A HN 0.155 nan 8.150 nan 0.000 0.443 292 R N 0.179 120.679 120.500 0.000 0.000 2.081 292 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 292 R C 1.958 178.267 176.300 0.015 0.000 1.131 292 R CA 2.009 58.124 56.100 0.025 0.000 0.960 292 R CB -0.553 29.754 30.300 0.011 0.000 0.856 292 R HN 0.706 nan 8.270 nan 0.000 0.436 293 E N -0.833 119.364 120.200 -0.005 0.000 2.049 293 E HA -0.261 4.089 4.350 -0.000 0.000 0.198 293 E C 2.131 178.733 176.600 0.004 0.000 1.007 293 E CA 1.782 58.181 56.400 -0.002 0.000 0.809 293 E CB -0.250 29.443 29.700 -0.012 0.000 0.749 293 E HN 0.383 nan 8.360 nan 0.000 0.450 294 C N 0.100 119.400 119.300 0.001 0.000 2.429 294 C HA -0.103 4.357 4.460 -0.000 0.000 0.277 294 C C 2.852 177.846 174.990 0.007 0.000 1.262 294 C CA 0.915 59.933 59.018 -0.000 0.000 1.733 294 C CB -0.883 26.850 27.740 -0.011 0.000 2.010 294 C HN 0.462 nan 8.230 nan 0.000 0.483 295 V N -0.555 119.370 119.914 0.019 0.000 3.052 295 V HA 0.473 4.593 4.120 -0.000 0.000 0.254 295 V C 1.174 177.289 176.094 0.035 0.000 1.100 295 V CA 0.997 63.315 62.300 0.030 0.000 1.112 295 V CB -1.431 30.420 31.823 0.048 0.000 0.738 295 V HN 0.851 nan 8.190 nan 0.000 0.469 296 G N 0.645 109.465 108.800 0.033 0.000 2.681 296 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 296 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 296 G C 0.271 175.197 174.900 0.043 0.000 1.353 296 G CA 0.343 45.462 45.100 0.033 0.000 0.872 296 G HN 0.499 nan 8.290 nan 0.000 0.557 297 K N -0.587 119.835 120.400 0.038 0.000 2.387 297 K HA 0.248 4.567 4.320 -0.000 0.000 0.198 297 K C 2.180 178.806 176.600 0.043 0.000 1.022 297 K CA 0.953 57.264 56.287 0.040 0.000 1.128 297 K CB -0.061 32.453 32.500 0.023 0.000 0.853 297 K HN 0.533 nan 8.250 nan 0.000 0.523 298 T N -0.357 114.225 114.554 0.046 0.000 3.051 298 T HA 0.046 4.396 4.350 -0.000 0.000 0.255 298 T C 0.490 175.227 174.700 0.061 0.000 1.085 298 T CA 0.325 62.455 62.100 0.050 0.000 1.109 298 T CB 0.198 69.093 68.868 0.046 0.000 0.921 298 T HN 0.045 nan 8.240 nan 0.000 0.488 299 V N -0.401 119.551 119.914 0.064 0.000 2.919 299 V HA 0.712 4.832 4.120 -0.000 0.000 0.316 299 V C -0.106 176.030 176.094 0.070 0.000 1.077 299 V CA -0.852 61.487 62.300 0.065 0.000 0.977 299 V CB 1.407 33.271 31.823 0.069 0.000 1.039 299 V HN 0.005 nan 8.190 nan 0.000 0.441 300 T N 4.001 118.584 114.554 0.049 0.000 2.909 300 T HA 0.624 4.974 4.350 -0.000 0.000 0.289 300 T C -0.212 174.534 174.700 0.077 0.000 1.005 300 T CA -0.111 62.021 62.100 0.053 0.000 1.084 300 T CB 0.713 69.571 68.868 -0.016 0.000 0.975 300 T HN 0.596 nan 8.240 nan 0.000 0.509 301 L N 2.689 123.989 121.223 0.128 0.000 2.331 301 L HA 0.584 4.923 4.340 -0.000 0.000 0.275 301 L C 0.092 177.022 176.870 0.099 0.000 1.022 301 L CA -0.731 54.199 54.840 0.150 0.000 0.812 301 L CB 1.682 43.895 42.059 0.258 0.000 1.257 301 L HN 0.528 nan 8.230 nan 0.000 0.435 302 Q N 1.352 121.189 119.800 0.062 0.000 2.356 302 Q HA 0.682 5.022 4.340 -0.000 0.000 0.270 302 Q C -0.544 175.449 176.000 -0.012 0.000 1.058 302 Q CA -0.132 55.652 55.803 -0.031 0.000 0.802 302 Q CB 2.464 31.210 28.738 0.013 0.000 1.303 302 Q HN 0.834 nan 8.270 nan 0.000 0.444 303 G N 2.450 111.200 108.800 -0.084 0.000 2.278 303 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.265 303 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.265 303 G C -1.278 173.704 174.900 0.138 0.000 1.329 303 G CA -0.060 45.057 45.100 0.027 0.000 1.017 303 G HN 0.800 nan 8.290 nan 0.000 0.472 304 N N -0.561 118.337 118.700 0.329 0.000 2.475 304 N HA 0.300 5.040 4.740 -0.000 0.000 0.272 304 N C -0.132 175.535 175.510 0.262 0.000 1.482 304 N CA -0.294 52.938 53.050 0.303 0.000 0.863 304 N CB 0.406 39.144 38.487 0.419 0.000 1.400 304 N HN 0.754 nan 8.380 nan 0.000 0.489 305 L N 1.857 123.160 121.223 0.132 0.000 2.559 305 L HA 0.110 4.449 4.340 -0.000 0.000 0.274 305 L C 0.278 177.075 176.870 -0.122 0.000 1.205 305 L CA 0.252 55.095 54.840 0.005 0.000 0.907 305 L CB 0.087 42.061 42.059 -0.142 0.000 1.153 305 L HN 0.189 nan 8.230 nan 0.000 0.490 306 D N 7.715 128.032 120.400 -0.137 0.000 2.570 306 D HA -0.043 4.597 4.640 -0.000 0.000 0.243 306 D C -1.534 174.385 176.300 -0.635 0.000 1.171 306 D CA -1.079 52.568 54.000 -0.587 0.000 0.879 306 D CB 0.960 41.390 40.800 -0.616 0.000 1.143 306 D HN 0.389 nan 8.370 nan 0.000 0.511 307 P HA -0.148 nan 4.420 nan 0.000 0.219 307 P C 1.274 178.074 177.300 -0.833 0.000 1.146 307 P CA 0.641 63.245 63.100 -0.826 0.000 0.808 307 P CB 0.030 31.124 31.700 -1.010 0.000 0.779 308 C N -0.284 118.595 119.300 -0.701 0.000 2.432 308 C HA 0.104 4.564 4.460 -0.000 0.000 0.282 308 C C 2.969 177.742 174.990 -0.362 0.000 1.388 308 C CA 0.785 59.516 59.018 -0.478 0.000 1.777 308 C CB -1.877 25.806 27.740 -0.094 0.000 1.882 308 C HN 0.253 nan 8.230 nan 0.000 0.520 309 A N 0.470 123.079 122.820 -0.351 0.000 2.076 309 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 309 A C 1.912 179.372 177.584 -0.206 0.000 1.160 309 A CA 1.248 53.155 52.037 -0.217 0.000 0.653 309 A CB -0.532 18.348 19.000 -0.200 0.000 0.801 309 A HN 0.680 nan 8.150 nan 0.000 0.455 310 L N -1.952 119.050 121.223 -0.368 0.000 2.610 310 L HA -0.074 4.266 4.340 -0.000 0.000 0.232 310 L C 1.687 178.501 176.870 -0.094 0.000 1.149 310 L CA 0.521 55.202 54.840 -0.266 0.000 0.872 310 L CB -0.491 41.317 42.059 -0.419 0.000 0.992 310 L HN 0.529 nan 8.230 nan 0.000 0.447 311 Y N 0.286 120.574 120.300 -0.020 0.000 2.519 311 Y HA 0.130 4.680 4.550 -0.000 0.000 0.287 311 Y C 1.862 177.805 175.900 0.071 0.000 1.128 311 Y CA -0.429 57.669 58.100 -0.003 0.000 1.282 311 Y CB 0.050 38.492 38.460 -0.030 0.000 1.027 311 Y HN 0.163 nan 8.280 nan 0.000 0.551 312 A N 0.533 123.474 122.820 0.203 0.000 2.292 312 A HA 0.309 4.629 4.320 -0.000 0.000 0.265 312 A C 0.606 178.284 177.584 0.157 0.000 1.133 312 A CA -0.122 51.997 52.037 0.136 0.000 0.807 312 A CB -0.127 18.903 19.000 0.051 0.000 1.102 312 A HN 0.280 nan 8.150 nan 0.000 0.502 313 S N -0.823 114.918 115.700 0.067 0.000 2.584 313 S HA 0.104 4.574 4.470 -0.000 0.000 0.270 313 S C 0.666 175.158 174.600 -0.180 0.000 1.346 313 S CA 0.406 58.603 58.200 -0.005 0.000 1.018 313 S CB 0.434 63.637 63.200 0.004 0.000 0.899 313 S HN 0.672 nan 8.310 nan 0.000 0.542 314 E N 0.904 120.904 120.200 -0.333 0.000 2.097 314 E HA -0.267 4.083 4.350 -0.000 0.000 0.196 314 E C 1.973 178.484 176.600 -0.147 0.000 1.000 314 E CA 1.652 57.864 56.400 -0.313 0.000 0.804 314 E CB -0.207 29.337 29.700 -0.260 0.000 0.740 314 E HN 0.942 nan 8.360 nan 0.000 0.454 315 E N 1.337 121.481 120.200 -0.094 0.000 2.077 315 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 315 E C 1.748 178.319 176.600 -0.049 0.000 0.989 315 E CA 1.313 57.679 56.400 -0.056 0.000 0.800 315 E CB 0.012 29.691 29.700 -0.035 0.000 0.746 315 E HN 0.289 nan 8.360 nan 0.000 0.452 316 E N 0.474 120.646 120.200 -0.046 0.000 2.072 316 E HA -0.151 4.198 4.350 -0.000 0.000 0.191 316 E C 2.250 178.829 176.600 -0.036 0.000 0.985 316 E CA 1.316 57.697 56.400 -0.032 0.000 0.801 316 E CB -0.113 29.578 29.700 -0.015 0.000 0.750 316 E HN 0.364 nan 8.360 nan 0.000 0.452 317 I N 0.898 121.437 120.570 -0.052 0.000 2.118 317 I HA -0.264 3.906 4.170 -0.000 0.000 0.241 317 I C 2.561 178.669 176.117 -0.015 0.000 1.070 317 I CA 1.387 62.666 61.300 -0.035 0.000 1.327 317 I CB -0.735 37.228 38.000 -0.062 0.000 1.034 317 I HN 0.204 nan 8.210 nan 0.000 0.405 318 G N 0.092 108.868 108.800 -0.040 0.000 2.513 318 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 318 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 318 G C 1.549 176.415 174.900 -0.057 0.000 1.160 318 G CA 0.935 46.008 45.100 -0.043 0.000 0.767 318 G HN 0.462 nan 8.290 nan 0.000 0.571 319 Q N -0.271 119.498 119.800 -0.053 0.000 2.079 319 Q HA 0.117 4.457 4.340 -0.000 0.000 0.200 319 Q C 2.699 178.665 176.000 -0.056 0.000 0.974 319 Q CA 0.764 56.528 55.803 -0.064 0.000 0.840 319 Q CB -0.240 28.471 28.738 -0.044 0.000 0.898 319 Q HN 0.440 nan 8.270 nan 0.000 0.430 320 L N 0.013 121.220 121.223 -0.026 0.000 2.141 320 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 320 L C 2.271 179.157 176.870 0.028 0.000 1.094 320 L CA 0.607 55.447 54.840 -0.001 0.000 0.763 320 L CB -0.304 41.756 42.059 0.003 0.000 0.908 320 L HN 0.107 nan 8.230 nan 0.000 0.437 321 V N 0.160 120.094 119.914 0.034 0.000 2.358 321 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 321 V C 2.549 178.637 176.094 -0.011 0.000 1.047 321 V CA 1.937 64.278 62.300 0.069 0.000 1.035 321 V CB -0.498 31.355 31.823 0.049 0.000 0.658 321 V HN 0.468 nan 8.190 nan 0.000 0.452 322 K N 0.186 120.473 120.400 -0.187 0.000 2.032 322 K HA -0.322 3.998 4.320 -0.000 0.000 0.209 322 K C 2.243 178.685 176.600 -0.263 0.000 1.048 322 K CA 2.276 58.227 56.287 -0.561 0.000 0.927 322 K CB -0.209 31.925 32.500 -0.609 0.000 0.712 322 K HN 0.395 nan 8.250 nan 0.000 0.441 323 Q N 0.801 120.534 119.800 -0.113 0.000 2.079 323 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 323 Q C 2.072 178.079 176.000 0.012 0.000 0.974 323 Q CA 2.032 57.810 55.803 -0.041 0.000 0.840 323 Q CB -0.217 28.503 28.738 -0.030 0.000 0.898 323 Q HN 0.485 nan 8.270 nan 0.000 0.430 324 M N -0.913 118.727 119.600 0.067 0.000 2.080 324 M HA -0.184 4.296 4.480 -0.000 0.000 0.260 324 M C 1.205 177.645 176.300 0.234 0.000 1.068 324 M CA 1.387 56.784 55.300 0.161 0.000 1.109 324 M CB -0.035 32.733 32.600 0.278 0.000 1.342 324 M HN 0.350 nan 8.290 nan 0.000 0.405 325 L N 0.626 122.007 121.223 0.262 0.000 2.056 325 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 325 L C 1.949 178.941 176.870 0.203 0.000 1.078 325 L CA 1.684 56.710 54.840 0.309 0.000 0.749 325 L CB -1.164 41.168 42.059 0.454 0.000 0.901 325 L HN 0.274 nan 8.230 nan 0.000 0.433 326 D N -0.205 120.313 120.400 0.197 0.000 2.133 326 D HA -0.196 4.443 4.640 -0.000 0.000 0.195 326 D C 1.751 178.061 176.300 0.018 0.000 0.997 326 D CA 1.343 55.416 54.000 0.121 0.000 0.840 326 D CB -0.128 40.727 40.800 0.090 0.000 0.947 326 D HN 0.312 nan 8.370 nan 0.000 0.452 327 D N -0.870 119.502 120.400 -0.046 0.000 2.149 327 D HA -0.055 4.585 4.640 -0.000 0.000 0.201 327 D C 1.930 178.072 176.300 -0.263 0.000 0.972 327 D CA 0.440 54.334 54.000 -0.175 0.000 0.835 327 D CB -0.365 40.265 40.800 -0.283 0.000 0.966 327 D HN 0.252 nan 8.370 nan 0.000 0.476 328 F N 0.550 120.354 119.950 -0.244 0.000 2.234 328 F HA 0.169 4.695 4.527 -0.000 0.000 0.296 328 F C 1.725 177.377 175.800 -0.247 0.000 1.089 328 F CA 0.861 58.619 58.000 -0.404 0.000 1.343 328 F CB -0.034 38.297 39.000 -1.114 0.000 1.040 328 F HN 0.004 nan 8.300 nan 0.000 0.498 329 G N 0.303 109.109 108.800 0.011 0.000 2.781 329 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.683 329 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.683 329 G C -2.124 172.767 174.900 -0.015 0.000 1.390 329 G CA -0.416 44.681 45.100 -0.006 0.000 0.850 329 G HN 0.069 nan 8.290 nan 0.000 0.557 330 P HA 0.036 nan 4.420 nan 0.000 0.236 330 P C 0.280 177.490 177.300 -0.150 0.000 1.177 330 P CA 0.894 63.895 63.100 -0.165 0.000 0.773 330 P CB 0.078 31.606 31.700 -0.287 0.000 0.878 331 H N 0.767 119.900 119.070 0.105 0.000 2.467 331 H HA 0.332 4.888 4.556 -0.000 0.000 0.331 331 H C 0.571 175.971 175.328 0.121 0.000 1.120 331 H CA -0.579 55.523 56.048 0.089 0.000 1.270 331 H CB 0.700 30.501 29.762 0.064 0.000 1.466 331 H HN -0.077 nan 8.280 nan 0.000 0.504 332 R N 0.537 121.168 120.500 0.218 0.000 3.188 332 R HA -0.250 4.090 4.340 -0.000 0.000 0.247 332 R C -1.333 175.085 176.300 0.198 0.000 0.918 332 R CA 0.542 56.736 56.100 0.156 0.000 0.629 332 R CB -1.660 28.727 30.300 0.144 0.000 1.087 332 R HN 0.499 nan 8.270 nan 0.000 0.462 333 Y N 0.256 120.544 120.300 -0.020 0.000 2.401 333 Y HA 0.513 5.063 4.550 -0.000 0.000 0.330 333 Y C -0.981 174.854 175.900 -0.110 0.000 1.071 333 Y CA -1.732 56.310 58.100 -0.097 0.000 1.049 333 Y CB 1.241 39.643 38.460 -0.095 0.000 1.239 333 Y HN 0.135 nan 8.280 nan 0.000 0.437 334 I N 5.953 126.222 120.570 -0.502 0.000 2.355 334 I HA 0.628 4.798 4.170 -0.000 0.000 0.288 334 I C 0.109 175.683 176.117 -0.905 0.000 0.999 334 I CA -0.977 60.008 61.300 -0.525 0.000 1.163 334 I CB 1.598 39.553 38.000 -0.074 0.000 1.316 334 I HN 0.823 nan 8.210 nan 0.000 0.454 335 A N 5.940 128.195 122.820 -0.942 0.000 2.477 335 A HA 0.458 4.778 4.320 -0.000 0.000 0.246 335 A C -0.101 177.317 177.584 -0.277 0.000 1.078 335 A CA 0.233 51.910 52.037 -0.599 0.000 0.770 335 A CB 0.252 19.023 19.000 -0.381 0.000 1.011 335 A HN 0.800 nan 8.150 nan 0.000 0.494 336 N N 0.606 119.217 118.700 -0.149 0.000 3.179 336 N HA 0.414 5.154 4.740 -0.000 0.000 0.250 336 N C -1.079 174.344 175.510 -0.145 0.000 1.507 336 N CA -0.579 52.322 53.050 -0.247 0.000 0.883 336 N CB 0.702 38.811 38.487 -0.629 0.000 1.435 336 N HN 0.477 nan 8.380 nan 0.000 0.532 337 L N -0.114 120.890 121.223 -0.364 0.000 2.479 337 L HA 0.434 4.774 4.340 -0.000 0.000 0.249 337 L C 1.838 178.617 176.870 -0.152 0.000 1.178 337 L CA -0.288 54.337 54.840 -0.359 0.000 0.811 337 L CB 0.490 42.235 42.059 -0.523 0.000 1.187 337 L HN 0.803 nan 8.230 nan 0.000 0.480 338 G N -2.054 106.777 108.800 0.052 0.000 2.880 338 G HA2 0.024 3.984 3.960 -0.000 0.000 0.209 338 G HA3 0.024 3.984 3.960 -0.000 0.000 0.209 338 G C 0.302 175.534 174.900 0.553 0.000 1.157 338 G CA 0.306 45.642 45.100 0.394 0.000 0.779 338 G HN 0.672 nan 8.290 nan 0.000 0.539 339 H N -1.921 117.211 119.070 0.104 0.000 2.950 339 H HA 0.367 4.923 4.556 -0.000 0.000 0.307 339 H C -0.071 175.176 175.328 -0.135 0.000 1.403 339 H CA -0.515 55.616 56.048 0.139 0.000 1.145 339 H CB 1.118 31.121 29.762 0.402 0.000 1.844 339 H HN 0.119 nan 8.280 nan 0.000 0.515 340 G N 1.366 109.829 108.800 -0.561 0.000 2.554 340 G HA2 0.264 4.224 3.960 -0.000 0.000 0.238 340 G HA3 0.264 4.224 3.960 -0.000 0.000 0.238 340 G C 0.056 174.710 174.900 -0.410 0.000 1.259 340 G CA -0.519 44.320 45.100 -0.435 0.000 0.843 340 G HN 0.460 nan 8.290 nan 0.000 0.582 341 L N 0.893 121.860 121.223 -0.427 0.000 2.525 341 L HA 0.042 4.381 4.340 -0.000 0.000 0.278 341 L C 0.162 176.902 176.870 -0.217 0.000 1.218 341 L CA 0.146 54.679 54.840 -0.510 0.000 0.878 341 L CB 0.139 41.802 42.059 -0.660 0.000 1.127 341 L HN 0.480 nan 8.230 nan 0.000 0.492 342 Y N 3.861 124.027 120.300 -0.224 0.000 2.301 342 Y HA 0.143 4.693 4.550 -0.000 0.000 0.325 342 Y C -1.088 174.793 175.900 -0.032 0.000 1.203 342 Y CA -2.087 55.964 58.100 -0.082 0.000 1.255 342 Y CB 0.615 39.060 38.460 -0.025 0.000 1.232 342 Y HN 0.519 nan 8.280 nan 0.000 0.501 343 P HA -0.138 nan 4.420 nan 0.000 0.230 343 P C 0.137 177.533 177.300 0.160 0.000 1.158 343 P CA 1.242 64.433 63.100 0.151 0.000 0.769 343 P CB 0.077 31.840 31.700 0.104 0.000 0.807 344 D N -2.009 118.501 120.400 0.184 0.000 2.342 344 D HA 0.068 4.708 4.640 -0.000 0.000 0.221 344 D C 0.571 176.990 176.300 0.199 0.000 1.101 344 D CA -0.148 53.956 54.000 0.174 0.000 0.837 344 D CB -0.618 40.276 40.800 0.156 0.000 0.938 344 D HN 0.133 nan 8.370 nan 0.000 0.508 345 M N 0.416 120.107 119.600 0.152 0.000 2.288 345 M HA 0.173 4.653 4.480 -0.000 0.000 0.334 345 M C -0.102 176.246 176.300 0.079 0.000 1.150 345 M CA -0.601 54.719 55.300 0.033 0.000 1.118 345 M CB 1.165 33.634 32.600 -0.219 0.000 1.501 345 M HN -0.204 nan 8.290 nan 0.000 0.462 346 D N 2.490 122.875 120.400 -0.026 0.000 2.295 346 D HA 0.221 4.860 4.640 -0.000 0.000 0.248 346 D C -1.949 174.441 176.300 0.150 0.000 1.154 346 D CA -2.058 51.945 54.000 0.005 0.000 0.857 346 D CB 1.429 42.074 40.800 -0.258 0.000 1.117 346 D HN 0.168 nan 8.370 nan 0.000 0.468 347 P HA -0.143 nan 4.420 nan 0.000 0.217 347 P C 0.934 178.474 177.300 0.399 0.000 1.148 347 P CA 0.925 64.316 63.100 0.484 0.000 0.828 347 P CB 0.388 32.333 31.700 0.408 0.000 0.783 348 E N -1.352 119.029 120.200 0.302 0.000 2.153 348 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 348 E C 1.989 178.742 176.600 0.255 0.000 0.988 348 E CA 1.150 57.722 56.400 0.287 0.000 0.811 348 E CB -0.809 29.047 29.700 0.260 0.000 0.746 348 E HN 0.575 nan 8.360 nan 0.000 0.466 349 H N -0.363 118.718 119.070 0.019 0.000 2.436 349 H HA 0.018 4.574 4.556 -0.000 0.000 0.294 349 H C 2.207 177.457 175.328 -0.130 0.000 1.048 349 H CA 0.697 56.715 56.048 -0.050 0.000 1.353 349 H CB 0.507 30.228 29.762 -0.067 0.000 1.414 349 H HN -0.031 nan 8.280 nan 0.000 0.536 350 V N 0.554 120.413 119.914 -0.091 0.000 2.287 350 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 350 V C 2.744 178.548 176.094 -0.483 0.000 1.053 350 V CA 1.947 64.027 62.300 -0.367 0.000 1.027 350 V CB -0.985 30.504 31.823 -0.557 0.000 0.646 350 V HN 0.547 nan 8.190 nan 0.000 0.447 351 G N -0.501 108.022 108.800 -0.461 0.000 2.422 351 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 351 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 351 G C 1.764 176.613 174.900 -0.084 0.000 1.146 351 G CA 0.990 45.968 45.100 -0.204 0.000 0.769 351 G HN 0.619 nan 8.290 nan 0.000 0.547 352 A N 0.479 123.266 122.820 -0.055 0.000 1.940 352 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 352 A C 2.139 179.686 177.584 -0.063 0.000 1.176 352 A CA 1.672 53.671 52.037 -0.064 0.000 0.631 352 A CB -0.521 18.411 19.000 -0.113 0.000 0.814 352 A HN 0.470 nan 8.150 nan 0.000 0.446 353 F N 0.717 120.541 119.950 -0.210 0.000 2.113 353 F HA -0.115 4.412 4.527 -0.000 0.000 0.297 353 F C 2.176 177.840 175.800 -0.225 0.000 1.103 353 F CA 1.878 59.751 58.000 -0.212 0.000 1.248 353 F CB -0.526 38.322 39.000 -0.252 0.000 0.999 353 F HN 0.015 nan 8.300 nan 0.000 0.475 354 V N 1.037 120.668 119.914 -0.473 0.000 2.255 354 V HA -0.333 3.787 4.120 -0.000 0.000 0.247 354 V C 2.172 177.934 176.094 -0.553 0.000 1.051 354 V CA 2.355 64.302 62.300 -0.589 0.000 1.018 354 V CB -0.834 30.801 31.823 -0.314 0.000 0.641 354 V HN 0.303 nan 8.190 nan 0.000 0.445 355 D N 0.350 120.589 120.400 -0.269 0.000 2.149 355 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 355 D C 2.161 178.381 176.300 -0.134 0.000 0.990 355 D CA 1.678 55.596 54.000 -0.136 0.000 0.839 355 D CB -0.338 40.438 40.800 -0.041 0.000 0.948 355 D HN 0.472 nan 8.370 nan 0.000 0.460 356 A N 0.423 123.139 122.820 -0.173 0.000 1.968 356 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 356 A C 2.494 180.022 177.584 -0.094 0.000 1.169 356 A CA 0.743 52.719 52.037 -0.101 0.000 0.638 356 A CB -0.521 18.428 19.000 -0.084 0.000 0.812 356 A HN 0.127 nan 8.150 nan 0.000 0.446 357 V N -0.203 119.547 119.914 -0.274 0.000 2.261 357 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 357 V C 2.298 178.387 176.094 -0.008 0.000 1.047 357 V CA 2.373 64.546 62.300 -0.212 0.000 1.015 357 V CB -1.156 30.372 31.823 -0.493 0.000 0.642 357 V HN 0.745 nan 8.190 nan 0.000 0.446 358 H N -0.039 118.995 119.070 -0.060 0.000 2.270 358 H HA -0.207 4.349 4.556 -0.000 0.000 0.299 358 H C 2.437 177.748 175.328 -0.029 0.000 1.077 358 H CA 1.858 57.882 56.048 -0.040 0.000 1.294 358 H CB -0.038 29.637 29.762 -0.144 0.000 1.371 358 H HN 0.326 nan 8.280 nan 0.000 0.491 359 K N 0.392 120.852 120.400 0.100 0.000 2.009 359 K HA -0.267 4.053 4.320 -0.000 0.000 0.210 359 K C 2.229 178.881 176.600 0.087 0.000 1.049 359 K CA 1.977 58.302 56.287 0.064 0.000 0.929 359 K CB -0.191 32.337 32.500 0.046 0.000 0.714 359 K HN 0.309 nan 8.250 nan 0.000 0.440 360 H N 0.538 119.621 119.070 0.021 0.000 2.387 360 H HA -0.052 4.504 4.556 -0.000 0.000 0.299 360 H C 2.048 177.409 175.328 0.054 0.000 1.090 360 H CA 2.300 58.366 56.048 0.031 0.000 1.332 360 H CB -0.198 29.579 29.762 0.025 0.000 1.386 360 H HN 0.408 nan 8.280 nan 0.000 0.516 361 S N -0.078 115.605 115.700 -0.029 0.000 2.402 361 S HA -0.129 4.341 4.470 -0.000 0.000 0.229 361 S C 2.158 176.732 174.600 -0.044 0.000 1.021 361 S CA 0.850 59.023 58.200 -0.045 0.000 0.974 361 S CB -0.118 63.150 63.200 0.113 0.000 0.800 361 S HN 0.425 nan 8.310 nan 0.000 0.484 362 R N 0.604 121.107 120.500 0.004 0.000 2.062 362 R HA 0.183 4.523 4.340 -0.000 0.000 0.231 362 R C 2.497 178.772 176.300 -0.043 0.000 1.136 362 R CA 1.334 57.437 56.100 0.005 0.000 0.948 362 R CB -0.722 29.586 30.300 0.014 0.000 0.845 362 R HN 0.374 nan 8.270 nan 0.000 0.430 363 L N 1.044 122.228 121.223 -0.065 0.000 2.042 363 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 363 L C 2.318 179.113 176.870 -0.125 0.000 1.076 363 L CA 1.070 55.870 54.840 -0.066 0.000 0.749 363 L CB -0.167 41.883 42.059 -0.015 0.000 0.893 363 L HN 0.206 nan 8.230 nan 0.000 0.432 364 L N -0.348 120.708 121.223 -0.279 0.000 2.141 364 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 364 L C 2.524 179.323 176.870 -0.119 0.000 1.094 364 L CA 1.569 56.254 54.840 -0.259 0.000 0.763 364 L CB -0.338 41.473 42.059 -0.413 0.000 0.908 364 L HN 0.100 nan 8.230 nan 0.000 0.437 365 R N -1.082 119.364 120.500 -0.090 0.000 2.193 365 R HA 0.008 4.348 4.340 -0.000 0.000 0.213 365 R C 0.782 177.068 176.300 -0.023 0.000 1.055 365 R CA 0.226 56.299 56.100 -0.044 0.000 0.995 365 R CB 0.027 30.315 30.300 -0.020 0.000 0.893 365 R HN 0.418 nan 8.270 nan 0.000 0.459 366 Q N 0.000 119.785 119.800 -0.026 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 366 Q CB 0.000 28.734 28.738 -0.007 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481