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 3gvw_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 AQALQLYESH 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 0.009 0.000 0.967 11 F CA 0.000 58.005 58.000 0.008 0.000 1.383 11 F CB 0.000 39.006 39.000 0.010 0.000 1.145 12 P HA 0.207 nan 4.420 nan 0.000 0.272 12 P C -0.995 176.368 177.300 0.106 0.000 1.230 12 P CA -0.506 62.670 63.100 0.127 0.000 0.788 12 P CB 0.763 32.522 31.700 0.099 0.000 0.949 13 E N 0.519 120.762 120.200 0.071 0.000 2.331 13 E HA 0.183 4.533 4.350 -0.000 0.000 0.272 13 E C -0.776 175.851 176.600 0.045 0.000 1.036 13 E CA -0.788 55.646 56.400 0.057 0.000 0.864 13 E CB 0.594 30.321 29.700 0.045 0.000 1.035 13 E HN 0.262 nan 8.360 nan 0.000 0.408 14 L N 4.917 126.165 121.223 0.041 0.000 2.385 14 L HA 0.077 4.417 4.340 -0.000 0.000 0.281 14 L C 0.749 177.642 176.870 0.037 0.000 1.106 14 L CA 0.600 55.462 54.840 0.036 0.000 0.856 14 L CB 0.441 42.523 42.059 0.039 0.000 1.186 14 L HN 0.542 nan 8.230 nan 0.000 0.453 15 K N 2.482 122.903 120.400 0.035 0.000 2.007 15 K HA -0.017 4.302 4.320 -0.000 0.000 0.206 15 K C 0.528 177.155 176.600 0.044 0.000 1.047 15 K CA 0.899 57.207 56.287 0.035 0.000 0.937 15 K CB -0.082 32.435 32.500 0.030 0.000 0.718 15 K HN 0.480 nan 8.250 nan 0.000 0.438 16 N N 1.499 120.230 118.700 0.051 0.000 2.424 16 N HA 0.006 4.746 4.740 -0.000 0.000 0.271 16 N C -1.301 174.255 175.510 0.077 0.000 0.985 16 N CA -0.402 52.692 53.050 0.072 0.000 0.921 16 N CB 1.206 39.744 38.487 0.085 0.000 1.149 16 N HN 0.154 nan 8.380 nan 0.000 0.492 17 D N 1.297 121.743 120.400 0.076 0.000 2.594 17 D HA 0.072 4.711 4.640 -0.000 0.000 0.256 17 D C 0.449 176.785 176.300 0.059 0.000 1.393 17 D CA -0.121 53.930 54.000 0.084 0.000 0.797 17 D CB -0.434 40.412 40.800 0.077 0.000 1.110 17 D HN 0.364 nan 8.370 nan 0.000 0.495 18 T N 0.550 115.118 114.554 0.023 0.000 2.620 18 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 18 T C 1.398 176.066 174.700 -0.054 0.000 1.044 18 T CA 1.739 63.780 62.100 -0.098 0.000 1.161 18 T CB -0.665 68.009 68.868 -0.323 0.000 0.862 18 T HN 0.300 nan 8.240 nan 0.000 0.438 19 F N 1.736 121.625 119.950 -0.103 0.000 2.091 19 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 19 F C 1.968 177.707 175.800 -0.101 0.000 1.103 19 F CA 1.282 59.217 58.000 -0.108 0.000 1.228 19 F CB -0.526 38.395 39.000 -0.132 0.000 0.984 19 F HN 0.067 nan 8.300 nan 0.000 0.477 20 L N -0.344 120.775 121.223 -0.174 0.000 2.201 20 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 20 L C 2.588 179.417 176.870 -0.069 0.000 1.105 20 L CA 1.156 55.868 54.840 -0.214 0.000 0.775 20 L CB -0.506 41.617 42.059 0.106 0.000 0.913 20 L HN 0.080 nan 8.230 nan 0.000 0.440 21 R N -0.473 120.015 120.500 -0.020 0.000 2.066 21 R HA 0.006 4.345 4.340 -0.000 0.000 0.224 21 R C 2.502 178.790 176.300 -0.021 0.000 1.122 21 R CA 1.084 57.216 56.100 0.053 0.000 0.974 21 R CB -0.397 29.920 30.300 0.029 0.000 0.871 21 R HN 0.286 nan 8.270 nan 0.000 0.435 22 A N 1.333 124.076 122.820 -0.128 0.000 1.883 22 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 22 A C 2.360 179.827 177.584 -0.195 0.000 1.186 22 A CA 1.947 53.900 52.037 -0.140 0.000 0.624 22 A CB -0.966 17.925 19.000 -0.181 0.000 0.822 22 A HN 0.417 nan 8.150 nan 0.000 0.444 23 A N -1.415 121.156 122.820 -0.415 0.000 1.903 23 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 23 A C 1.986 179.358 177.584 -0.353 0.000 1.191 23 A CA 1.591 53.310 52.037 -0.530 0.000 0.638 23 A CB -1.082 17.361 19.000 -0.929 0.000 0.823 23 A HN 0.788 nan 8.150 nan 0.000 0.451 24 W N -1.609 119.597 121.300 -0.156 0.000 2.937 24 W HA 0.316 4.975 4.660 -0.000 0.000 0.245 24 W C 1.763 178.249 176.519 -0.055 0.000 1.306 24 W CA 0.685 57.975 57.345 -0.091 0.000 1.470 24 W CB 0.183 29.594 29.460 -0.081 0.000 1.132 24 W HN 0.661 nan 8.180 nan 0.000 0.675 25 G N -0.218 108.662 108.800 0.134 0.000 2.195 25 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.224 25 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.224 25 G C 0.143 175.101 174.900 0.096 0.000 0.990 25 G CA -0.165 44.997 45.100 0.104 0.000 0.639 25 G HN 0.217 nan 8.290 nan 0.000 0.514 26 E N 1.019 121.282 120.200 0.105 0.000 2.425 26 E HA 0.475 4.824 4.350 -0.000 0.000 0.258 26 E C 0.653 177.291 176.600 0.065 0.000 1.151 26 E CA 0.302 56.747 56.400 0.074 0.000 0.958 26 E CB 0.386 30.126 29.700 0.067 0.000 0.968 26 E HN 0.481 nan 8.360 nan 0.000 0.451 27 E N 0.050 120.288 120.200 0.063 0.000 2.277 27 E HA 0.358 4.708 4.350 -0.000 0.000 0.274 27 E C -0.705 175.908 176.600 0.022 0.000 1.022 27 E CA -0.391 56.052 56.400 0.072 0.000 0.853 27 E CB 1.405 31.164 29.700 0.099 0.000 1.086 27 E HN 0.555 nan 8.360 nan 0.000 0.397 28 T N -1.183 113.367 114.554 -0.007 0.000 2.883 28 T HA 0.235 4.585 4.350 -0.000 0.000 0.296 28 T C 0.096 174.774 174.700 -0.037 0.000 1.117 28 T CA -0.848 61.215 62.100 -0.061 0.000 1.006 28 T CB 1.364 70.127 68.868 -0.174 0.000 1.191 28 T HN 0.116 nan 8.240 nan 0.000 0.508 29 D N -0.235 120.161 120.400 -0.007 0.000 2.277 29 D HA 0.167 4.807 4.640 -0.000 0.000 0.208 29 D C 0.420 176.829 176.300 0.182 0.000 0.962 29 D CA 1.462 55.520 54.000 0.096 0.000 0.865 29 D CB -0.090 40.798 40.800 0.147 0.000 0.939 29 D HN 0.736 nan 8.370 nan 0.000 0.510 30 Y N -3.016 117.287 120.300 0.005 0.000 2.728 30 Y HA 0.557 5.107 4.550 -0.000 0.000 0.330 30 Y C -0.767 175.155 175.900 0.036 0.000 1.234 30 Y CA -1.325 56.786 58.100 0.019 0.000 1.070 30 Y CB 0.726 39.186 38.460 -0.001 0.000 1.300 30 Y HN -0.444 nan 8.280 nan 0.000 0.467 31 T N 4.478 119.101 114.554 0.115 0.000 2.744 31 T HA 0.396 4.746 4.350 -0.000 0.000 0.291 31 T C -2.731 172.005 174.700 0.060 0.000 0.957 31 T CA -1.353 60.743 62.100 -0.007 0.000 1.002 31 T CB 0.994 69.902 68.868 0.067 0.000 0.919 31 T HN 0.391 nan 8.240 nan 0.000 0.468 32 P HA 0.399 nan 4.420 nan 0.000 0.274 32 P C -0.882 176.492 177.300 0.123 0.000 1.231 32 P CA -0.450 62.713 63.100 0.105 0.000 0.790 32 P CB 1.179 32.927 31.700 0.081 0.000 0.951 33 V N 4.157 124.200 119.914 0.215 0.000 2.888 33 V HA 0.831 4.951 4.120 -0.000 0.000 0.309 33 V C -1.692 174.562 176.094 0.267 0.000 1.114 33 V CA -0.447 61.901 62.300 0.079 0.000 0.940 33 V CB 1.794 33.457 31.823 -0.265 0.000 1.021 33 V HN 0.837 nan 8.190 nan 0.000 0.426 34 W N 4.035 125.301 121.300 -0.057 0.000 3.005 34 W HA 0.729 5.389 4.660 -0.000 0.000 0.343 34 W C -2.187 174.317 176.519 -0.024 0.000 1.243 34 W CA -1.335 55.977 57.345 -0.055 0.000 1.186 34 W CB 0.817 30.200 29.460 -0.129 0.000 1.453 34 W HN 0.663 nan 8.180 nan 0.000 0.575 35 C N 2.195 121.426 119.300 -0.114 0.000 2.498 35 C HA 0.612 5.072 4.460 -0.000 0.000 0.316 35 C C 0.630 175.403 174.990 -0.362 0.000 1.209 35 C CA -0.592 58.203 59.018 -0.370 0.000 1.518 35 C CB 0.939 28.511 27.740 -0.281 0.000 2.147 35 C HN 0.559 nan 8.230 nan 0.000 0.483 36 M N 2.356 121.640 119.600 -0.527 0.000 2.238 36 M HA 0.269 4.749 4.480 -0.000 0.000 0.347 36 M C 1.021 177.172 176.300 -0.248 0.000 1.173 36 M CA 0.498 55.597 55.300 -0.336 0.000 1.147 36 M CB 0.243 32.640 32.600 -0.338 0.000 1.547 36 M HN 0.721 nan 8.290 nan 0.000 0.455 37 R N 1.240 121.650 120.500 -0.150 0.000 3.516 37 R HA -0.244 4.096 4.340 -0.000 0.000 0.271 37 R C 1.223 177.506 176.300 -0.028 0.000 1.098 37 R CA 1.049 57.093 56.100 -0.092 0.000 0.732 37 R CB -1.431 28.773 30.300 -0.160 0.000 1.152 37 R HN 0.888 nan 8.270 nan 0.000 0.455 38 Q N -1.006 118.818 119.800 0.039 0.000 2.224 38 Q HA -0.007 4.333 4.340 -0.000 0.000 0.203 38 Q C 0.672 176.912 176.000 0.400 0.000 0.970 38 Q CA 1.536 57.444 55.803 0.176 0.000 0.865 38 Q CB 0.294 29.134 28.738 0.171 0.000 0.922 38 Q HN 0.404 nan 8.270 nan 0.000 0.445 39 A N 1.039 124.045 122.820 0.310 0.000 2.774 39 A HA 0.653 4.972 4.320 -0.000 0.000 0.326 39 A C -0.050 177.651 177.584 0.195 0.000 1.478 39 A CA 0.075 52.320 52.037 0.346 0.000 1.099 39 A CB 0.245 19.523 19.000 0.463 0.000 1.148 39 A HN 0.418 nan 8.150 nan 0.000 0.519 40 G N 0.142 108.743 108.800 -0.332 0.000 2.687 40 G HA2 0.429 4.389 3.960 -0.000 0.000 0.291 40 G HA3 0.429 4.389 3.960 -0.000 0.000 0.291 40 G C 0.290 174.356 174.900 -1.391 0.000 1.420 40 G CA -0.775 43.792 45.100 -0.887 0.000 0.796 40 G HN 0.410 nan 8.290 nan 0.000 0.485 41 R N -0.750 119.230 120.500 -0.868 0.000 2.341 41 R HA -0.082 4.258 4.340 -0.000 0.000 0.213 41 R C 1.833 178.063 176.300 -0.117 0.000 1.082 41 R CA 1.231 57.109 56.100 -0.369 0.000 1.017 41 R CB -0.361 29.930 30.300 -0.016 0.000 0.860 41 R HN 0.693 nan 8.270 nan 0.000 0.473 42 Y N -0.841 119.343 120.300 -0.192 0.000 2.680 42 Y HA 0.114 4.663 4.550 -0.000 0.000 0.303 42 Y C 0.236 176.130 175.900 -0.011 0.000 1.166 42 Y CA 0.015 58.073 58.100 -0.070 0.000 1.344 42 Y CB -0.048 38.361 38.460 -0.084 0.000 1.002 42 Y HN -0.136 nan 8.280 nan 0.000 0.537 43 L N 2.183 123.074 121.223 -0.553 0.000 2.307 43 L HA 0.316 4.656 4.340 -0.000 0.000 0.284 43 L C -1.641 175.187 176.870 -0.071 0.000 1.023 43 L CA -2.308 52.312 54.840 -0.366 0.000 0.810 43 L CB 1.937 43.743 42.059 -0.423 0.000 1.231 43 L HN -0.140 nan 8.230 nan 0.000 0.423 44 P HA -0.169 nan 4.420 nan 0.000 0.216 44 P C 1.214 178.515 177.300 0.002 0.000 1.153 44 P CA 0.883 63.984 63.100 0.002 0.000 0.844 44 P CB 0.133 31.831 31.700 -0.004 0.000 0.787 45 E N -0.750 119.436 120.200 -0.023 0.000 2.219 45 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 45 E C 1.870 178.449 176.600 -0.035 0.000 0.998 45 E CA 1.071 57.448 56.400 -0.038 0.000 0.818 45 E CB -1.302 28.364 29.700 -0.056 0.000 0.741 45 E HN 0.265 nan 8.360 nan 0.000 0.477 46 F N 1.786 121.642 119.950 -0.156 0.000 2.128 46 F HA 0.036 4.563 4.527 -0.000 0.000 0.295 46 F C 2.557 178.273 175.800 -0.141 0.000 1.100 46 F CA 1.206 59.099 58.000 -0.178 0.000 1.260 46 F CB 0.088 38.967 39.000 -0.201 0.000 1.009 46 F HN -0.194 nan 8.300 nan 0.000 0.476 47 R N 0.213 120.814 120.500 0.169 0.000 2.092 47 R HA -0.157 4.183 4.340 -0.000 0.000 0.231 47 R C 2.100 178.382 176.300 -0.030 0.000 1.119 47 R CA 1.445 57.601 56.100 0.094 0.000 0.970 47 R CB -0.525 29.853 30.300 0.130 0.000 0.864 47 R HN 0.357 nan 8.270 nan 0.000 0.440 48 E N -0.483 119.692 120.200 -0.041 0.000 2.333 48 E HA -0.168 4.182 4.350 -0.000 0.000 0.200 48 E C 0.625 177.157 176.600 -0.112 0.000 1.010 48 E CA 1.338 57.700 56.400 -0.063 0.000 0.841 48 E CB 0.275 29.943 29.700 -0.053 0.000 0.757 48 E HN 0.298 nan 8.360 nan 0.000 0.508 49 T N -1.174 113.263 114.554 -0.194 0.000 3.098 49 T HA 0.081 4.431 4.350 -0.000 0.000 0.246 49 T C 1.522 176.029 174.700 -0.322 0.000 0.983 49 T CA -0.388 61.556 62.100 -0.261 0.000 1.094 49 T CB 0.086 68.751 68.868 -0.337 0.000 1.035 49 T HN -0.054 nan 8.240 nan 0.000 0.456 50 R N 2.343 122.567 120.500 -0.460 0.000 2.126 50 R HA 0.119 4.459 4.340 -0.000 0.000 0.224 50 R C 1.534 177.722 176.300 -0.187 0.000 1.128 50 R CA 1.698 57.525 56.100 -0.455 0.000 0.895 50 R CB -1.018 28.990 30.300 -0.487 0.000 0.817 50 R HN 0.349 nan 8.270 nan 0.000 0.435 51 A N 0.328 123.108 122.820 -0.066 0.000 3.033 51 A HA 0.397 4.717 4.320 -0.000 0.000 0.250 51 A C 0.364 177.931 177.584 -0.028 0.000 1.633 51 A CA 0.625 52.665 52.037 0.005 0.000 1.290 51 A CB -0.437 18.606 19.000 0.072 0.000 1.048 51 A HN 0.427 nan 8.150 nan 0.000 0.648 52 A N -0.654 122.125 122.820 -0.068 0.000 2.749 52 A HA 0.545 4.864 4.320 -0.000 0.000 0.299 52 A C 0.734 178.285 177.584 -0.055 0.000 1.105 52 A CA -0.029 51.972 52.037 -0.059 0.000 0.987 52 A CB 0.151 19.104 19.000 -0.078 0.000 1.180 52 A HN 0.501 nan 8.150 nan 0.000 0.528 53 Q N -0.707 119.069 119.800 -0.039 0.000 1.506 53 Q HA 0.092 4.431 4.340 -0.000 0.000 0.144 53 Q C -1.659 174.344 176.000 0.005 0.000 0.496 53 Q CA 0.832 56.621 55.803 -0.025 0.000 0.833 53 Q CB 0.306 29.019 28.738 -0.042 0.000 0.873 53 Q HN 0.514 nan 8.270 nan 0.000 0.178 54 D N -0.886 119.521 120.400 0.012 0.000 2.769 54 D HA 0.256 4.895 4.640 -0.000 0.000 0.219 54 D C -0.666 175.685 176.300 0.086 0.000 1.245 54 D CA -0.363 53.678 54.000 0.069 0.000 0.801 54 D CB 0.551 41.391 40.800 0.066 0.000 1.598 54 D HN 0.108 nan 8.370 nan 0.000 0.485 55 F N 1.538 121.489 119.950 0.003 0.000 2.293 55 F HA 0.232 4.759 4.527 -0.000 0.000 0.300 55 F C 1.087 176.802 175.800 -0.142 0.000 1.086 55 F CA 1.090 59.061 58.000 -0.049 0.000 1.375 55 F CB 0.152 39.125 39.000 -0.044 0.000 1.045 55 F HN 0.398 nan 8.300 nan 0.000 0.516 56 F N -1.592 118.455 119.950 0.162 0.000 2.746 56 F HA 0.124 4.651 4.527 -0.000 0.000 0.320 56 F C 1.288 177.083 175.800 -0.009 0.000 1.097 56 F CA 0.033 58.081 58.000 0.080 0.000 1.195 56 F CB 0.424 39.477 39.000 0.087 0.000 1.056 56 F HN -0.095 nan 8.300 nan 0.000 0.562 57 S N -0.962 114.817 115.700 0.132 0.000 2.843 57 S HA 0.194 4.664 4.470 -0.000 0.000 0.249 57 S C 0.022 174.601 174.600 -0.035 0.000 1.047 57 S CA -0.033 58.169 58.200 0.002 0.000 1.042 57 S CB -0.278 62.908 63.200 -0.023 0.000 0.936 57 S HN 0.110 nan 8.310 nan 0.000 0.531 58 T N -1.817 112.727 114.554 -0.016 0.000 3.523 58 T HA 0.486 4.836 4.350 -0.000 0.000 0.265 58 T C 0.440 175.135 174.700 -0.008 0.000 0.986 58 T CA -0.092 61.989 62.100 -0.033 0.000 1.616 58 T CB -0.871 67.951 68.868 -0.077 0.000 0.803 58 T HN 0.382 nan 8.240 nan 0.000 0.603 59 C N 0.892 120.268 119.300 0.126 0.000 5.883 59 C HA -0.263 4.196 4.460 -0.000 0.000 0.328 59 C C 2.077 177.147 174.990 0.132 0.000 2.432 59 C CA 1.159 60.287 59.018 0.183 0.000 2.196 59 C CB -1.494 26.336 27.740 0.150 0.000 3.236 59 C HN 0.838 nan 8.230 nan 0.000 0.262 60 R N 1.857 122.271 120.500 -0.144 0.000 2.189 60 R HA 0.045 4.384 4.340 -0.000 0.000 0.223 60 R C 0.920 177.152 176.300 -0.114 0.000 1.092 60 R CA 1.510 57.347 56.100 -0.439 0.000 0.989 60 R CB -0.180 29.872 30.300 -0.415 0.000 0.876 60 R HN 0.661 nan 8.270 nan 0.000 0.457 61 S N 0.247 115.940 115.700 -0.012 0.000 2.404 61 S HA 0.283 4.753 4.470 -0.000 0.000 0.309 61 S C -1.975 172.671 174.600 0.076 0.000 1.076 61 S CA -1.900 56.314 58.200 0.024 0.000 1.095 61 S CB 1.143 64.337 63.200 -0.011 0.000 0.972 61 S HN -0.022 nan 8.310 nan 0.000 0.484 62 P HA -0.150 nan 4.420 nan 0.000 0.216 62 P C 1.363 178.706 177.300 0.072 0.000 1.154 62 P CA 1.076 64.246 63.100 0.116 0.000 0.865 62 P CB 0.188 31.957 31.700 0.115 0.000 0.789 63 E N -0.809 119.417 120.200 0.043 0.000 2.110 63 E HA -0.157 4.192 4.350 -0.000 0.000 0.193 63 E C 2.016 178.612 176.600 -0.007 0.000 0.988 63 E CA 1.501 57.912 56.400 0.018 0.000 0.804 63 E CB -0.638 29.066 29.700 0.007 0.000 0.745 63 E HN 0.183 nan 8.360 nan 0.000 0.458 64 A N 0.491 123.298 122.820 -0.021 0.000 1.929 64 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 64 A C 2.563 180.096 177.584 -0.085 0.000 1.176 64 A CA 1.019 53.010 52.037 -0.076 0.000 0.628 64 A CB -0.702 18.242 19.000 -0.093 0.000 0.816 64 A HN 0.303 nan 8.150 nan 0.000 0.444 65 C N -1.821 117.485 119.300 0.010 0.000 2.453 65 C HA -0.117 4.343 4.460 -0.000 0.000 0.277 65 C C 2.931 177.969 174.990 0.079 0.000 1.262 65 C CA 0.665 59.739 59.018 0.092 0.000 1.718 65 C CB -1.497 26.360 27.740 0.195 0.000 2.031 65 C HN 0.776 nan 8.230 nan 0.000 0.480 66 C N 1.193 120.530 119.300 0.062 0.000 2.385 66 C HA -0.194 4.266 4.460 -0.000 0.000 0.275 66 C C 2.754 177.751 174.990 0.011 0.000 1.207 66 C CA 2.350 61.396 59.018 0.047 0.000 1.760 66 C CB -1.338 26.426 27.740 0.040 0.000 2.051 66 C HN 0.713 nan 8.230 nan 0.000 0.467 67 E N 0.305 120.486 120.200 -0.033 0.000 2.072 67 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 67 E C 1.995 178.537 176.600 -0.096 0.000 0.985 67 E CA 1.549 57.910 56.400 -0.065 0.000 0.801 67 E CB -0.563 29.081 29.700 -0.093 0.000 0.750 67 E HN 0.715 nan 8.360 nan 0.000 0.452 68 L N 0.099 121.216 121.223 -0.175 0.000 2.083 68 L HA -0.163 4.176 4.340 -0.000 0.000 0.209 68 L C 2.460 179.325 176.870 -0.009 0.000 1.083 68 L CA 1.752 56.446 54.840 -0.243 0.000 0.752 68 L CB -0.679 40.973 42.059 -0.678 0.000 0.899 68 L HN 0.182 nan 8.230 nan 0.000 0.433 69 T N -0.096 114.500 114.554 0.069 0.000 2.821 69 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 69 T C 1.945 176.701 174.700 0.092 0.000 1.046 69 T CA 1.114 63.298 62.100 0.140 0.000 1.139 69 T CB -0.183 68.773 68.868 0.147 0.000 0.871 69 T HN 0.155 nan 8.240 nan 0.000 0.454 70 L N 0.631 121.883 121.223 0.048 0.000 2.156 70 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 70 L C 2.856 179.744 176.870 0.030 0.000 1.095 70 L CA 1.095 55.954 54.840 0.032 0.000 0.770 70 L CB -0.494 41.571 42.059 0.011 0.000 0.914 70 L HN 0.261 nan 8.230 nan 0.000 0.439 71 Q N -0.046 119.765 119.800 0.020 0.000 2.062 71 Q HA -0.231 4.109 4.340 -0.000 0.000 0.209 71 Q C -0.522 175.493 176.000 0.026 0.000 0.996 71 Q CA 2.184 57.989 55.803 0.004 0.000 0.859 71 Q CB -1.227 27.507 28.738 -0.007 0.000 0.920 71 Q HN 0.445 nan 8.270 nan 0.000 0.415 72 P HA -0.160 nan 4.420 nan 0.000 0.216 72 P C 1.308 178.723 177.300 0.193 0.000 1.153 72 P CA 1.120 64.368 63.100 0.246 0.000 0.848 72 P CB -0.161 31.769 31.700 0.383 0.000 0.787 73 L N -0.580 120.729 121.223 0.143 0.000 2.263 73 L HA -0.147 4.193 4.340 -0.000 0.000 0.216 73 L C 2.570 179.452 176.870 0.020 0.000 1.111 73 L CA 1.641 56.539 54.840 0.098 0.000 0.773 73 L CB -0.786 41.313 42.059 0.066 0.000 0.906 73 L HN 0.079 nan 8.230 nan 0.000 0.439 74 R N -0.434 120.047 120.500 -0.032 0.000 2.148 74 R HA -0.080 4.260 4.340 -0.000 0.000 0.223 74 R C 2.178 178.371 176.300 -0.178 0.000 1.088 74 R CA 0.730 56.780 56.100 -0.083 0.000 0.985 74 R CB -0.021 30.231 30.300 -0.081 0.000 0.880 74 R HN 0.427 nan 8.270 nan 0.000 0.451 75 R N -0.665 119.626 120.500 -0.347 0.000 2.175 75 R HA 0.155 4.495 4.340 -0.000 0.000 0.202 75 R C -0.104 175.740 176.300 -0.760 0.000 1.018 75 R CA 0.511 56.184 56.100 -0.710 0.000 1.029 75 R CB 0.432 29.954 30.300 -1.297 0.000 0.959 75 R HN 0.002 nan 8.270 nan 0.000 0.480 76 F N 1.050 121.031 119.950 0.051 0.000 2.556 76 F HA 0.350 4.877 4.527 -0.000 0.000 0.314 76 F C -2.038 173.801 175.800 0.065 0.000 1.106 76 F CA -3.068 54.966 58.000 0.057 0.000 0.911 76 F CB 1.631 40.674 39.000 0.072 0.000 1.190 76 F HN -0.255 nan 8.300 nan 0.000 0.448 77 P HA 0.085 nan 4.420 nan 0.000 0.232 77 P C -0.381 177.078 177.300 0.266 0.000 1.738 77 P CA 0.228 63.449 63.100 0.201 0.000 0.948 77 P CB -0.314 31.489 31.700 0.172 0.000 1.943 78 L N 0.916 122.283 121.223 0.240 0.000 2.514 78 L HA 0.026 4.365 4.340 -0.000 0.000 0.280 78 L C 1.670 178.649 176.870 0.180 0.000 1.223 78 L CA 0.384 55.351 54.840 0.211 0.000 0.864 78 L CB 0.156 42.337 42.059 0.204 0.000 1.118 78 L HN 0.069 nan 8.230 nan 0.000 0.494 79 D N 2.036 122.560 120.400 0.207 0.000 2.363 79 D HA 0.136 4.775 4.640 -0.000 0.000 0.220 79 D C 0.377 176.639 176.300 -0.064 0.000 0.994 79 D CA 0.585 54.678 54.000 0.155 0.000 0.890 79 D CB 0.538 41.504 40.800 0.277 0.000 0.906 79 D HN 0.613 nan 8.370 nan 0.000 0.530 80 A N -0.108 122.582 122.820 -0.216 0.000 2.602 80 A HA 0.706 5.026 4.320 -0.000 0.000 0.290 80 A C -1.536 175.839 177.584 -0.348 0.000 1.114 80 A CA -0.473 51.256 52.037 -0.513 0.000 0.683 80 A CB 1.589 19.773 19.000 -1.361 0.000 1.281 80 A HN 0.019 nan 8.150 nan 0.000 0.416 81 A N 0.090 122.702 122.820 -0.348 0.000 2.355 81 A HA 0.796 5.116 4.320 -0.000 0.000 0.324 81 A C -0.831 176.598 177.584 -0.258 0.000 1.117 81 A CA -0.387 51.535 52.037 -0.192 0.000 0.785 81 A CB 0.862 19.814 19.000 -0.079 0.000 1.254 81 A HN 1.667 nan 8.150 nan 0.000 0.453 82 I N 1.911 122.419 120.570 -0.104 0.000 2.474 82 I HA 0.527 4.697 4.170 -0.000 0.000 0.294 82 I C -0.727 175.456 176.117 0.110 0.000 1.005 82 I CA -1.116 60.156 61.300 -0.047 0.000 1.113 82 I CB 1.221 39.229 38.000 0.015 0.000 1.289 82 I HN 0.654 nan 8.210 nan 0.000 0.436 83 I N 7.471 128.146 120.570 0.175 0.000 2.648 83 I HA 0.071 4.241 4.170 -0.000 0.000 0.284 83 I C -0.738 175.588 176.117 0.348 0.000 1.153 83 I CA 0.367 61.810 61.300 0.239 0.000 1.426 83 I CB 0.258 38.376 38.000 0.197 0.000 1.381 83 I HN 0.449 nan 8.210 nan 0.000 0.571 84 F N 8.399 128.468 119.950 0.198 0.000 2.472 84 F HA 0.497 5.024 4.527 -0.000 0.000 0.364 84 F C 0.367 176.310 175.800 0.237 0.000 1.090 84 F CA 0.721 58.849 58.000 0.214 0.000 1.188 84 F CB 0.154 39.236 39.000 0.138 0.000 1.105 84 F HN 0.659 nan 8.300 nan 0.000 0.536 85 S N 3.671 119.137 115.700 -0.389 0.000 2.694 85 S HA 0.334 4.804 4.470 -0.000 0.000 0.273 85 S C -1.775 172.633 174.600 -0.321 0.000 1.180 85 S CA -1.184 56.817 58.200 -0.331 0.000 0.864 85 S CB 1.449 64.610 63.200 -0.066 0.000 1.198 85 S HN 0.573 nan 8.310 nan 0.000 0.499 86 D N 0.589 120.891 120.400 -0.162 0.000 2.256 86 D HA 0.349 4.989 4.640 -0.000 0.000 0.246 86 D C 1.863 178.196 176.300 0.055 0.000 1.042 86 D CA -0.882 53.071 54.000 -0.079 0.000 0.841 86 D CB 1.292 41.955 40.800 -0.229 0.000 1.223 86 D HN 0.591 nan 8.370 nan 0.000 0.470 87 I N 2.156 122.784 120.570 0.097 0.000 2.290 87 I HA -0.272 3.898 4.170 -0.000 0.000 0.253 87 I C 1.630 177.750 176.117 0.005 0.000 1.112 87 I CA 1.221 62.556 61.300 0.059 0.000 1.377 87 I CB -1.240 36.748 38.000 -0.020 0.000 1.060 87 I HN 0.474 nan 8.210 nan 0.000 0.428 88 L N 1.320 122.586 121.223 0.072 0.000 2.599 88 L HA 0.009 4.348 4.340 -0.000 0.000 0.230 88 L C 2.627 179.556 176.870 0.099 0.000 1.141 88 L CA 0.379 55.287 54.840 0.113 0.000 0.877 88 L CB -0.418 41.696 42.059 0.091 0.000 1.009 88 L HN 0.271 nan 8.230 nan 0.000 0.447 89 V N -3.826 116.147 119.914 0.098 0.000 2.626 89 V HA -0.151 3.968 4.120 -0.000 0.000 0.252 89 V C 2.198 178.195 176.094 -0.161 0.000 1.067 89 V CA 1.155 63.456 62.300 0.003 0.000 1.081 89 V CB -0.601 31.239 31.823 0.029 0.000 0.686 89 V HN 0.167 nan 8.190 nan 0.000 0.468 90 V N 1.314 121.107 119.914 -0.202 0.000 2.229 90 V HA -0.065 4.055 4.120 -0.000 0.000 0.243 90 V C 0.681 176.695 176.094 -0.133 0.000 1.042 90 V CA 2.518 64.671 62.300 -0.246 0.000 1.000 90 V CB -2.074 29.619 31.823 -0.217 0.000 0.637 90 V HN 0.485 nan 8.190 nan 0.000 0.446 91 P HA -0.236 nan 4.420 nan 0.000 0.216 91 P C 1.696 178.950 177.300 -0.076 0.000 1.150 91 P CA 1.712 64.758 63.100 -0.090 0.000 0.837 91 P CB -0.033 31.631 31.700 -0.059 0.000 0.786 92 Q N -0.009 119.800 119.800 0.015 0.000 2.030 92 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 92 Q C 2.244 178.193 176.000 -0.085 0.000 0.986 92 Q CA 2.165 57.943 55.803 -0.042 0.000 0.843 92 Q CB -0.675 27.950 28.738 -0.187 0.000 0.904 92 Q HN 0.115 nan 8.270 nan 0.000 0.420 93 A N 0.577 123.334 122.820 -0.106 0.000 1.978 93 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 93 A C 1.948 179.480 177.584 -0.087 0.000 1.170 93 A CA 1.144 53.120 52.037 -0.102 0.000 0.636 93 A CB -0.660 18.244 19.000 -0.160 0.000 0.810 93 A HN 0.489 nan 8.150 nan 0.000 0.448 94 L N -1.620 119.545 121.223 -0.098 0.000 2.551 94 L HA 0.079 4.419 4.340 -0.000 0.000 0.228 94 L C 1.638 178.458 176.870 -0.084 0.000 1.153 94 L CA 0.695 55.481 54.840 -0.089 0.000 0.851 94 L CB -0.075 41.920 42.059 -0.107 0.000 0.959 94 L HN 0.649 nan 8.230 nan 0.000 0.451 95 G N -0.960 107.792 108.800 -0.080 0.000 2.168 95 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.197 95 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.197 95 G C 0.213 175.066 174.900 -0.078 0.000 0.997 95 G CA -0.492 44.568 45.100 -0.068 0.000 0.658 95 G HN 0.130 nan 8.290 nan 0.000 0.513 96 M N 1.283 120.819 119.600 -0.108 0.000 2.233 96 M HA 0.373 4.853 4.480 -0.000 0.000 0.355 96 M C -0.090 176.254 176.300 0.074 0.000 1.191 96 M CA -0.255 54.972 55.300 -0.121 0.000 1.101 96 M CB 1.020 33.332 32.600 -0.480 0.000 1.592 96 M HN 0.002 nan 8.290 nan 0.000 0.461 97 E N 2.744 123.009 120.200 0.108 0.000 2.227 97 E HA 0.390 4.740 4.350 -0.000 0.000 0.282 97 E C -0.932 175.781 176.600 0.189 0.000 1.015 97 E CA -0.322 56.139 56.400 0.101 0.000 0.823 97 E CB 1.785 31.512 29.700 0.045 0.000 1.081 97 E HN 0.360 nan 8.360 nan 0.000 0.396 98 V N 2.285 122.203 119.914 0.007 0.000 2.713 98 V HA 0.453 4.573 4.120 -0.000 0.000 0.307 98 V C 0.754 176.820 176.094 -0.046 0.000 1.052 98 V CA -0.664 61.555 62.300 -0.135 0.000 0.967 98 V CB 1.624 33.221 31.823 -0.376 0.000 1.019 98 V HN 0.845 nan 8.190 nan 0.000 0.459 99 T N 0.088 114.622 114.554 -0.032 0.000 2.804 99 T HA 0.613 4.963 4.350 -0.000 0.000 0.272 99 T C 0.003 174.712 174.700 0.015 0.000 0.986 99 T CA -0.869 61.235 62.100 0.006 0.000 0.999 99 T CB 1.723 70.593 68.868 0.004 0.000 1.307 99 T HN 0.434 nan 8.240 nan 0.000 0.586 100 M N 0.351 119.952 119.600 0.002 0.000 2.625 100 M HA 0.313 4.793 4.480 -0.000 0.000 0.396 100 M C -0.056 176.210 176.300 -0.056 0.000 1.174 100 M CA -0.545 54.740 55.300 -0.025 0.000 0.898 100 M CB -0.425 32.188 32.600 0.021 0.000 1.450 100 M HN 0.344 nan 8.290 nan 0.000 0.522 101 V N 4.678 124.563 119.914 -0.048 0.000 2.877 101 V HA -0.105 4.015 4.120 -0.000 0.000 0.294 101 V C -0.976 175.087 176.094 -0.052 0.000 1.280 101 V CA 0.430 62.706 62.300 -0.041 0.000 1.372 101 V CB -0.466 31.339 31.823 -0.029 0.000 0.867 101 V HN 0.422 nan 8.190 nan 0.000 0.513 102 P HA -0.267 nan 4.420 nan 0.000 0.049 102 P C 0.929 178.209 177.300 -0.033 0.000 1.072 102 P CA 1.686 64.770 63.100 -0.026 0.000 1.019 102 P CB -1.010 30.679 31.700 -0.017 0.000 1.867 103 G N -2.537 106.230 108.800 -0.055 0.000 2.157 103 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 103 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 103 G C -0.304 174.557 174.900 -0.065 0.000 0.979 103 G CA 0.175 45.243 45.100 -0.054 0.000 0.650 103 G HN 0.572 nan 8.290 nan 0.000 0.529 104 K N 0.330 120.680 120.400 -0.083 0.000 2.507 104 K HA 0.743 5.063 4.320 -0.000 0.000 0.253 104 K C 0.648 177.161 176.600 -0.145 0.000 0.969 104 K CA -0.687 55.549 56.287 -0.086 0.000 0.908 104 K CB 1.118 33.597 32.500 -0.034 0.000 1.127 104 K HN 1.812 nan 8.250 nan 0.000 0.437 105 G N 3.038 111.680 108.800 -0.263 0.000 2.846 105 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.660 105 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.660 105 G C -2.743 171.928 174.900 -0.380 0.000 1.464 105 G CA -0.619 44.299 45.100 -0.303 0.000 0.891 105 G HN 0.606 nan 8.290 nan 0.000 0.552 106 P HA 0.804 nan 4.420 nan 0.000 0.288 106 P C -0.362 176.888 177.300 -0.084 0.000 1.300 106 P CA 0.175 63.201 63.100 -0.124 0.000 0.910 106 P CB 2.089 33.833 31.700 0.072 0.000 1.256 107 S N -1.441 114.168 115.700 -0.152 0.000 2.688 107 S HA 0.487 4.957 4.470 -0.000 0.000 0.266 107 S C -1.700 172.699 174.600 -0.336 0.000 1.061 107 S CA -0.896 57.151 58.200 -0.255 0.000 0.844 107 S CB -0.223 62.951 63.200 -0.044 0.000 1.103 107 S HN 0.130 nan 8.310 nan 0.000 0.471 108 F N 2.244 122.220 119.950 0.043 0.000 2.371 108 F HA 0.469 4.995 4.527 -0.000 0.000 0.363 108 F C -1.240 174.563 175.800 0.006 0.000 1.122 108 F CA -1.914 56.091 58.000 0.008 0.000 1.129 108 F CB 1.656 40.650 39.000 -0.010 0.000 1.173 108 F HN 0.440 nan 8.300 nan 0.000 0.489 109 P HA -0.121 nan 4.420 nan 0.000 0.223 109 P C -0.058 177.297 177.300 0.091 0.000 1.151 109 P CA 1.123 64.280 63.100 0.094 0.000 0.787 109 P CB 0.347 32.084 31.700 0.062 0.000 0.788 110 E N 0.815 121.079 120.200 0.106 0.000 3.167 110 E HA 0.246 4.596 4.350 -0.000 0.000 0.212 110 E C -2.309 174.307 176.600 0.026 0.000 1.143 110 E CA -2.067 54.367 56.400 0.057 0.000 1.002 110 E CB 0.270 29.992 29.700 0.037 0.000 1.315 110 E HN 0.332 nan 8.360 nan 0.000 0.422 111 P HA 0.036 nan 4.420 nan 0.000 0.272 111 P C -0.173 177.104 177.300 -0.039 0.000 1.230 111 P CA -0.311 62.768 63.100 -0.036 0.000 0.788 111 P CB 0.958 32.656 31.700 -0.002 0.000 0.949 112 L N 2.474 123.638 121.223 -0.098 0.000 2.453 112 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 112 L C 1.802 178.771 176.870 0.165 0.000 1.182 112 L CA 0.158 55.000 54.840 0.003 0.000 0.858 112 L CB 0.009 42.024 42.059 -0.074 0.000 1.120 112 L HN 0.366 nan 8.230 nan 0.000 0.474 113 R N 1.061 121.734 120.500 0.288 0.000 2.568 113 R HA 0.199 4.539 4.340 -0.000 0.000 0.254 113 R C -0.290 176.178 176.300 0.281 0.000 0.925 113 R CA 0.003 56.317 56.100 0.357 0.000 1.025 113 R CB 0.766 31.169 30.300 0.172 0.000 1.428 113 R HN 0.739 nan 8.270 nan 0.000 0.573 114 E N -0.022 120.282 120.200 0.173 0.000 2.383 114 E HA 0.122 4.471 4.350 -0.000 0.000 0.275 114 E C 0.297 176.869 176.600 -0.045 0.000 0.918 114 E CA -0.372 55.979 56.400 -0.081 0.000 0.764 114 E CB 1.772 31.443 29.700 -0.049 0.000 1.252 114 E HN -0.034 nan 8.360 nan 0.000 0.449 115 E N 2.127 122.196 120.200 -0.218 0.000 2.253 115 E HA -0.383 3.967 4.350 -0.000 0.000 0.202 115 E C 1.347 177.958 176.600 0.018 0.000 1.014 115 E CA 1.857 58.206 56.400 -0.085 0.000 0.823 115 E CB 0.165 29.785 29.700 -0.133 0.000 0.736 115 E HN 0.656 nan 8.360 nan 0.000 0.478 116 Q N 0.319 120.119 119.800 -0.000 0.000 2.030 116 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 116 Q C 1.433 177.453 176.000 0.034 0.000 0.986 116 Q CA 2.026 57.836 55.803 0.012 0.000 0.843 116 Q CB -0.112 28.627 28.738 0.001 0.000 0.904 116 Q HN 0.363 nan 8.270 nan 0.000 0.420 117 D N 0.739 121.171 120.400 0.054 0.000 2.280 117 D HA -0.194 4.445 4.640 -0.000 0.000 0.206 117 D C 1.809 178.131 176.300 0.037 0.000 0.988 117 D CA 0.818 54.848 54.000 0.050 0.000 0.886 117 D CB -0.310 40.535 40.800 0.075 0.000 0.914 117 D HN 0.364 nan 8.370 nan 0.000 0.473 118 L N 0.162 121.421 121.223 0.061 0.000 2.353 118 L HA -0.140 4.200 4.340 -0.000 0.000 0.220 118 L C 2.195 179.074 176.870 0.015 0.000 1.133 118 L CA 0.736 55.600 54.840 0.040 0.000 0.798 118 L CB -0.265 41.836 42.059 0.069 0.000 0.922 118 L HN -0.062 nan 8.230 nan 0.000 0.445 119 E N 0.718 120.927 120.200 0.015 0.000 2.208 119 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 119 E C 2.135 178.734 176.600 -0.003 0.000 0.988 119 E CA 0.521 56.925 56.400 0.007 0.000 0.828 119 E CB 0.095 29.800 29.700 0.009 0.000 0.763 119 E HN 0.417 nan 8.360 nan 0.000 0.478 120 R N 0.062 120.556 120.500 -0.010 0.000 2.316 120 R HA 0.021 4.361 4.340 -0.000 0.000 0.202 120 R C 0.024 176.304 176.300 -0.034 0.000 1.029 120 R CA 0.225 56.312 56.100 -0.021 0.000 1.018 120 R CB -0.272 30.013 30.300 -0.025 0.000 0.888 120 R HN 0.062 nan 8.270 nan 0.000 0.471 121 L N 2.042 123.244 121.223 -0.035 0.000 2.350 121 L HA 0.345 4.685 4.340 -0.000 0.000 0.275 121 L C 0.696 177.547 176.870 -0.031 0.000 1.099 121 L CA -0.905 53.907 54.840 -0.047 0.000 0.808 121 L CB 0.984 43.011 42.059 -0.053 0.000 1.149 121 L HN 0.144 nan 8.230 nan 0.000 0.442 122 R N 0.725 121.204 120.500 -0.035 0.000 2.919 122 R HA 0.032 4.371 4.340 -0.000 0.000 0.284 122 R C -0.226 176.066 176.300 -0.014 0.000 1.104 122 R CA -0.347 55.740 56.100 -0.022 0.000 1.207 122 R CB 0.303 30.588 30.300 -0.025 0.000 1.162 122 R HN 0.566 nan 8.270 nan 0.000 0.561 123 D N 0.199 120.596 120.400 -0.004 0.000 2.225 123 D HA 0.111 4.751 4.640 -0.000 0.000 0.248 123 D C -1.778 174.526 176.300 0.008 0.000 1.096 123 D CA -2.164 51.839 54.000 0.005 0.000 0.863 123 D CB 1.550 42.356 40.800 0.011 0.000 1.156 123 D HN 0.072 nan 8.370 nan 0.000 0.450 124 P HA -0.234 nan 4.420 nan 0.000 0.219 124 P C 0.586 177.904 177.300 0.030 0.000 1.158 124 P CA 1.784 64.895 63.100 0.020 0.000 0.895 124 P CB 0.309 32.028 31.700 0.032 0.000 0.792 125 E N -0.700 119.521 120.200 0.035 0.000 2.150 125 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 125 E C 1.940 178.567 176.600 0.046 0.000 0.985 125 E CA 1.137 57.564 56.400 0.046 0.000 0.814 125 E CB -1.592 28.134 29.700 0.043 0.000 0.752 125 E HN 0.271 nan 8.360 nan 0.000 0.466 126 V N -1.180 118.753 119.914 0.031 0.000 2.594 126 V HA -0.216 3.904 4.120 -0.000 0.000 0.253 126 V C 2.033 178.141 176.094 0.022 0.000 1.069 126 V CA 1.316 63.632 62.300 0.027 0.000 1.082 126 V CB -0.874 30.959 31.823 0.016 0.000 0.680 126 V HN 0.132 nan 8.190 nan 0.000 0.469 127 V N 1.351 121.271 119.914 0.011 0.000 2.324 127 V HA -0.285 3.834 4.120 -0.000 0.000 0.250 127 V C 3.156 179.246 176.094 -0.007 0.000 1.060 127 V CA 2.466 64.752 62.300 -0.023 0.000 1.042 127 V CB -1.560 30.238 31.823 -0.043 0.000 0.650 127 V HN 0.704 nan 8.190 nan 0.000 0.450 128 A N 0.910 123.777 122.820 0.079 0.000 1.873 128 A HA -0.268 4.051 4.320 -0.000 0.000 0.218 128 A C 2.559 180.229 177.584 0.145 0.000 1.193 128 A CA 2.730 54.882 52.037 0.192 0.000 0.629 128 A CB -0.990 18.169 19.000 0.265 0.000 0.826 128 A HN 0.735 nan 8.150 nan 0.000 0.447 129 S N -0.508 115.258 115.700 0.109 0.000 2.419 129 S HA -0.149 4.321 4.470 -0.000 0.000 0.233 129 S C 1.495 176.119 174.600 0.041 0.000 1.016 129 S CA 1.361 59.615 58.200 0.091 0.000 0.974 129 S CB -0.337 62.909 63.200 0.077 0.000 0.786 129 S HN 0.542 nan 8.310 nan 0.000 0.492 130 E N 1.378 121.580 120.200 0.003 0.000 2.208 130 E HA 0.110 4.460 4.350 -0.000 0.000 0.193 130 E C 1.208 177.789 176.600 -0.032 0.000 0.988 130 E CA 0.620 57.020 56.400 -0.001 0.000 0.828 130 E CB -0.244 29.444 29.700 -0.019 0.000 0.763 130 E HN 0.605 nan 8.360 nan 0.000 0.478 131 L N 0.164 121.255 121.223 -0.220 0.000 2.912 131 L HA 0.263 4.603 4.340 -0.000 0.000 0.240 131 L C 1.749 178.122 176.870 -0.828 0.000 1.262 131 L CA -0.221 54.282 54.840 -0.560 0.000 1.058 131 L CB 0.383 42.055 42.059 -0.646 0.000 1.383 131 L HN 0.016 nan 8.230 nan 0.000 0.512 132 G N 0.214 108.788 108.800 -0.377 0.000 2.470 132 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 132 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 132 G C 1.315 176.149 174.900 -0.111 0.000 1.121 132 G CA 0.860 45.851 45.100 -0.183 0.000 0.766 132 G HN 0.623 nan 8.290 nan 0.000 0.553 133 Y N -0.178 120.072 120.300 -0.083 0.000 2.352 133 Y HA 0.090 4.640 4.550 -0.000 0.000 0.292 133 Y C 2.390 178.284 175.900 -0.010 0.000 1.136 133 Y CA 0.556 58.645 58.100 -0.018 0.000 1.227 133 Y CB -0.659 37.797 38.460 -0.007 0.000 0.991 133 Y HN 0.002 nan 8.280 nan 0.000 0.545 134 V N 0.886 120.410 119.914 -0.649 0.000 2.307 134 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 134 V C 2.261 178.304 176.094 -0.085 0.000 1.045 134 V CA 1.972 64.029 62.300 -0.405 0.000 1.024 134 V CB -0.957 30.530 31.823 -0.560 0.000 0.651 134 V HN 0.494 nan 8.190 nan 0.000 0.449 135 F N -0.001 119.918 119.950 -0.053 0.000 2.126 135 F HA -0.278 4.248 4.527 -0.000 0.000 0.299 135 F C 2.737 178.558 175.800 0.036 0.000 1.096 135 F CA 1.567 59.565 58.000 -0.004 0.000 1.255 135 F CB -0.347 38.661 39.000 0.012 0.000 0.997 135 F HN 0.137 nan 8.300 nan 0.000 0.479 136 Q N 0.384 120.319 119.800 0.225 0.000 2.050 136 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 136 Q C 2.483 178.573 176.000 0.149 0.000 0.980 136 Q CA 1.527 57.436 55.803 0.177 0.000 0.840 136 Q CB -0.399 28.433 28.738 0.156 0.000 0.898 136 Q HN 0.419 nan 8.270 nan 0.000 0.424 137 A N 0.415 123.317 122.820 0.136 0.000 1.978 137 A HA -0.187 4.132 4.320 -0.000 0.000 0.220 137 A C 1.979 179.631 177.584 0.114 0.000 1.170 137 A CA 1.133 53.244 52.037 0.124 0.000 0.636 137 A CB -0.613 18.469 19.000 0.137 0.000 0.810 137 A HN 0.345 nan 8.150 nan 0.000 0.448 138 I N -1.003 119.639 120.570 0.120 0.000 2.133 138 I HA -0.213 3.956 4.170 -0.000 0.000 0.238 138 I C 2.695 178.863 176.117 0.085 0.000 1.074 138 I CA 1.793 63.148 61.300 0.093 0.000 1.342 138 I CB -0.705 37.359 38.000 0.106 0.000 1.053 138 I HN 0.246 nan 8.210 nan 0.000 0.404 139 T N 1.313 115.954 114.554 0.146 0.000 2.635 139 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 139 T C 1.881 176.710 174.700 0.215 0.000 1.040 139 T CA 1.527 63.764 62.100 0.229 0.000 1.156 139 T CB -0.459 68.560 68.868 0.253 0.000 0.863 139 T HN 0.105 nan 8.240 nan 0.000 0.430 140 L N 0.975 122.291 121.223 0.155 0.000 1.991 140 L HA -0.225 4.115 4.340 -0.000 0.000 0.221 140 L C 2.649 179.578 176.870 0.099 0.000 1.079 140 L CA 2.154 57.066 54.840 0.119 0.000 0.778 140 L CB -1.213 40.904 42.059 0.096 0.000 0.893 140 L HN 0.319 nan 8.230 nan 0.000 0.437 141 T N -1.736 112.863 114.554 0.075 0.000 2.867 141 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 141 T C 1.920 176.630 174.700 0.016 0.000 1.057 141 T CA 1.157 63.285 62.100 0.046 0.000 1.136 141 T CB -0.270 68.625 68.868 0.045 0.000 0.874 141 T HN 0.189 nan 8.240 nan 0.000 0.466 142 R N 1.543 122.035 120.500 -0.014 0.000 2.120 142 R HA -0.033 4.307 4.340 -0.000 0.000 0.234 142 R C 2.306 178.621 176.300 0.025 0.000 1.123 142 R CA 1.478 57.513 56.100 -0.109 0.000 0.975 142 R CB -0.597 29.456 30.300 -0.412 0.000 0.866 142 R HN 0.311 nan 8.270 nan 0.000 0.446 143 Q N -0.205 119.673 119.800 0.130 0.000 2.083 143 Q HA 0.036 4.376 4.340 -0.000 0.000 0.198 143 Q C 1.760 177.818 176.000 0.096 0.000 0.969 143 Q CA 1.579 57.487 55.803 0.176 0.000 0.838 143 Q CB 0.147 28.992 28.738 0.178 0.000 0.900 143 Q HN 0.276 nan 8.270 nan 0.000 0.436 144 R N -0.557 119.982 120.500 0.066 0.000 2.173 144 R HA 0.094 4.434 4.340 -0.000 0.000 0.208 144 R C 2.183 178.501 176.300 0.031 0.000 1.035 144 R CA 0.466 56.592 56.100 0.044 0.000 1.004 144 R CB -0.087 30.235 30.300 0.036 0.000 0.917 144 R HN 0.289 nan 8.270 nan 0.000 0.462 145 L N 0.967 122.204 121.223 0.023 0.000 2.191 145 L HA -0.040 4.300 4.340 -0.000 0.000 0.212 145 L C 1.093 177.974 176.870 0.019 0.000 1.103 145 L CA 0.851 55.698 54.840 0.012 0.000 0.769 145 L CB -0.422 41.633 42.059 -0.007 0.000 0.908 145 L HN 0.204 nan 8.230 nan 0.000 0.438 146 A N 0.308 123.148 122.820 0.034 0.000 2.687 146 A HA -0.119 4.201 4.320 -0.000 0.000 0.299 146 A C 1.315 178.922 177.584 0.037 0.000 1.497 146 A CA 0.660 52.724 52.037 0.046 0.000 0.751 146 A CB -2.079 16.945 19.000 0.039 0.000 1.048 146 A HN 1.004 nan 8.150 nan 0.000 0.464 147 G N -1.286 107.531 108.800 0.028 0.000 2.198 147 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.260 147 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.260 147 G C 0.725 175.636 174.900 0.018 0.000 1.025 147 G CA 1.497 46.610 45.100 0.021 0.000 0.769 147 G HN 1.814 nan 8.290 nan 0.000 0.507 148 R N -0.124 120.383 120.500 0.013 0.000 2.061 148 R HA 0.283 4.623 4.340 -0.000 0.000 0.230 148 R C 1.488 177.799 176.300 0.017 0.000 1.140 148 R CA 2.539 58.648 56.100 0.015 0.000 0.940 148 R CB -0.133 30.175 30.300 0.013 0.000 0.839 148 R HN 1.202 nan 8.270 nan 0.000 0.429 149 V N -4.580 115.333 119.914 -0.000 0.000 3.167 149 V HA 0.658 4.778 4.120 -0.000 0.000 0.310 149 V C -2.765 173.301 176.094 -0.046 0.000 1.207 149 V CA -2.963 59.332 62.300 -0.008 0.000 1.059 149 V CB 1.789 33.599 31.823 -0.022 0.000 1.079 149 V HN 0.027 nan 8.190 nan 0.000 0.446 150 P HA 0.486 nan 4.420 nan 0.000 0.274 150 P C -1.226 175.960 177.300 -0.189 0.000 1.256 150 P CA -0.276 62.774 63.100 -0.083 0.000 0.795 150 P CB 0.472 32.184 31.700 0.020 0.000 1.038 151 L N 1.220 122.342 121.223 -0.167 0.000 2.356 151 L HA 0.501 4.840 4.340 -0.000 0.000 0.277 151 L C -1.143 175.620 176.870 -0.178 0.000 0.996 151 L CA -0.419 54.312 54.840 -0.181 0.000 0.822 151 L CB 0.730 42.711 42.059 -0.130 0.000 1.256 151 L HN 0.181 nan 8.230 nan 0.000 0.413 152 I N 4.906 125.335 120.570 -0.235 0.000 2.331 152 I HA 0.536 4.706 4.170 -0.000 0.000 0.292 152 I C 1.001 177.115 176.117 -0.004 0.000 0.998 152 I CA -0.363 60.838 61.300 -0.164 0.000 1.267 152 I CB 1.400 39.192 38.000 -0.346 0.000 1.386 152 I HN 0.754 nan 8.210 nan 0.000 0.476 153 G N 5.173 113.997 108.800 0.041 0.000 2.562 153 G HA2 0.643 4.602 3.960 -0.000 0.000 0.275 153 G HA3 0.643 4.602 3.960 -0.000 0.000 0.275 153 G C -0.914 174.144 174.900 0.264 0.000 1.196 153 G CA -0.249 44.911 45.100 0.101 0.000 0.908 153 G HN 0.665 nan 8.290 nan 0.000 0.524 154 F N -1.754 118.214 119.950 0.031 0.000 2.779 154 F HA 0.843 5.370 4.527 -0.000 0.000 0.316 154 F C -0.518 175.375 175.800 0.154 0.000 1.164 154 F CA -0.825 57.263 58.000 0.146 0.000 0.924 154 F CB 1.246 40.423 39.000 0.294 0.000 1.348 154 F HN 1.045 nan 8.300 nan 0.000 0.467 155 A N 0.378 123.391 122.820 0.321 0.000 2.566 155 A HA 0.730 5.050 4.320 -0.000 0.000 0.290 155 A C -0.876 177.003 177.584 0.493 0.000 1.071 155 A CA -0.462 51.705 52.037 0.216 0.000 0.658 155 A CB 0.692 19.852 19.000 0.267 0.000 1.285 155 A HN 1.821 nan 8.150 nan 0.000 0.427 156 G N -0.395 108.621 108.800 0.360 0.000 2.476 156 G HA2 0.690 4.649 3.960 -0.000 0.000 0.286 156 G HA3 0.690 4.649 3.960 -0.000 0.000 0.286 156 G C 0.306 175.383 174.900 0.295 0.000 1.177 156 G CA 0.326 45.649 45.100 0.371 0.000 0.870 156 G HN 1.788 nan 8.290 nan 0.000 0.528 157 A N 2.243 125.239 122.820 0.294 0.000 2.287 157 A HA 0.642 4.962 4.320 -0.000 0.000 0.273 157 A C -0.879 176.816 177.584 0.186 0.000 1.091 157 A CA -1.049 51.135 52.037 0.245 0.000 0.817 157 A CB 0.660 19.810 19.000 0.250 0.000 1.069 157 A HN 0.435 nan 8.150 nan 0.000 0.492 158 P HA -0.226 nan 4.420 nan 0.000 0.213 158 P C 1.639 178.978 177.300 0.066 0.000 1.176 158 P CA 1.895 65.045 63.100 0.084 0.000 0.919 158 P CB -0.304 31.434 31.700 0.063 0.000 0.791 159 W N 0.344 121.636 121.300 -0.013 0.000 2.317 159 W HA -0.227 4.433 4.660 -0.000 0.000 0.318 159 W C 1.669 178.171 176.519 -0.029 0.000 1.227 159 W CA 2.365 59.687 57.345 -0.038 0.000 1.269 159 W CB -1.388 28.076 29.460 0.006 0.000 1.155 159 W HN -0.042 nan 8.180 nan 0.000 0.484 160 T N 2.481 116.935 114.554 -0.166 0.000 2.635 160 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 160 T C 2.011 176.590 174.700 -0.201 0.000 1.040 160 T CA 2.361 64.323 62.100 -0.229 0.000 1.156 160 T CB -0.751 68.227 68.868 0.184 0.000 0.863 160 T HN 0.168 nan 8.240 nan 0.000 0.430 161 L N 0.525 121.722 121.223 -0.045 0.000 2.043 161 L HA -0.164 4.175 4.340 -0.000 0.000 0.212 161 L C 2.673 179.433 176.870 -0.183 0.000 1.075 161 L CA 1.706 56.534 54.840 -0.021 0.000 0.752 161 L CB -0.624 41.432 42.059 -0.005 0.000 0.891 161 L HN 0.392 nan 8.230 nan 0.000 0.432 162 M N 0.049 119.444 119.600 -0.343 0.000 2.117 162 M HA -0.216 4.264 4.480 -0.000 0.000 0.262 162 M C 2.409 178.329 176.300 -0.633 0.000 1.065 162 M CA 2.423 57.441 55.300 -0.470 0.000 1.114 162 M CB -0.266 32.070 32.600 -0.441 0.000 1.361 162 M HN 0.350 nan 8.290 nan 0.000 0.408 163 T N -1.378 112.641 114.554 -0.891 0.000 2.821 163 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 163 T C 1.519 175.839 174.700 -0.632 0.000 1.046 163 T CA 1.481 63.032 62.100 -0.915 0.000 1.139 163 T CB -0.987 67.158 68.868 -1.205 0.000 0.871 163 T HN 0.616 nan 8.240 nan 0.000 0.454 164 Y N 1.170 121.234 120.300 -0.393 0.000 2.224 164 Y HA 0.125 4.675 4.550 -0.000 0.000 0.289 164 Y C 2.760 178.626 175.900 -0.057 0.000 1.146 164 Y CA 1.391 59.413 58.100 -0.130 0.000 1.182 164 Y CB -0.377 38.095 38.460 0.019 0.000 0.983 164 Y HN 0.205 nan 8.280 nan 0.000 0.524 165 M N -1.727 117.806 119.600 -0.112 0.000 2.349 165 M HA -0.124 4.356 4.480 -0.000 0.000 0.266 165 M C 1.659 177.753 176.300 -0.342 0.000 1.076 165 M CA 0.865 55.961 55.300 -0.341 0.000 1.126 165 M CB -0.058 32.303 32.600 -0.397 0.000 1.392 165 M HN 0.107 nan 8.290 nan 0.000 0.440 166 V N -0.988 118.694 119.914 -0.386 0.000 2.690 166 V HA -0.005 4.114 4.120 -0.000 0.000 0.240 166 V C 1.734 177.679 176.094 -0.249 0.000 1.078 166 V CA 0.978 63.011 62.300 -0.445 0.000 1.102 166 V CB 0.000 31.336 31.823 -0.812 0.000 0.800 166 V HN 0.240 nan 8.190 nan 0.000 0.479 167 E N 0.185 120.246 120.200 -0.232 0.000 2.359 167 E HA 0.149 4.499 4.350 -0.000 0.000 0.187 167 E C 1.714 178.289 176.600 -0.043 0.000 1.081 167 E CA 0.597 56.921 56.400 -0.127 0.000 0.929 167 E CB -0.070 29.538 29.700 -0.153 0.000 1.086 167 E HN 0.590 nan 8.360 nan 0.000 0.462 168 G N 0.338 109.148 108.800 0.017 0.000 2.451 168 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.253 168 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.253 168 G C 0.784 175.811 174.900 0.212 0.000 1.033 168 G CA 0.665 45.844 45.100 0.130 0.000 0.633 168 G HN 0.838 nan 8.290 nan 0.000 0.537 169 G N -1.492 107.390 108.800 0.137 0.000 2.292 169 G HA2 0.501 4.461 3.960 -0.000 0.000 0.194 169 G HA3 0.501 4.461 3.960 -0.000 0.000 0.194 169 G C 0.733 175.661 174.900 0.047 0.000 1.329 169 G CA 0.888 46.128 45.100 0.233 0.000 1.100 169 G HN 2.032 nan 8.290 nan 0.000 0.470 170 G N 0.527 109.424 108.800 0.162 0.000 2.093 170 G HA2 0.469 4.429 3.960 -0.000 0.000 0.257 170 G HA3 0.469 4.429 3.960 -0.000 0.000 0.257 170 G C 0.421 175.364 174.900 0.072 0.000 1.004 170 G CA 1.884 47.064 45.100 0.134 0.000 0.949 170 G HN 1.506 nan 8.290 nan 0.000 0.400 171 S N 1.429 117.187 115.700 0.097 0.000 2.823 171 S HA 0.825 5.295 4.470 -0.000 0.000 0.316 171 S C 0.767 175.432 174.600 0.107 0.000 1.116 171 S CA -0.009 58.249 58.200 0.096 0.000 0.911 171 S CB 2.013 65.295 63.200 0.136 0.000 1.276 171 S HN 0.601 nan 8.310 nan 0.000 0.565 172 S N -0.618 115.123 115.700 0.068 0.000 4.355 172 S HA 0.381 4.851 4.470 -0.000 0.000 0.201 172 S C -0.044 174.518 174.600 -0.064 0.000 1.044 172 S CA -0.085 58.132 58.200 0.028 0.000 1.777 172 S CB 0.011 63.214 63.200 0.005 0.000 0.797 172 S HN 0.783 nan 8.310 nan 0.000 0.774 173 T N 2.634 117.087 114.554 -0.168 0.000 3.327 173 T HA 0.452 4.802 4.350 -0.000 0.000 0.241 173 T C -0.252 174.142 174.700 -0.509 0.000 0.907 173 T CA 0.095 61.940 62.100 -0.425 0.000 0.931 173 T CB -0.516 68.230 68.868 -0.204 0.000 1.112 173 T HN 0.329 nan 8.240 nan 0.000 0.589 174 M N 0.123 119.483 119.600 -0.399 0.000 6.950 174 M HA -0.028 4.452 4.480 -0.000 0.000 0.142 174 M C -0.376 175.941 176.300 0.029 0.000 0.666 174 M CA 0.286 55.546 55.300 -0.066 0.000 1.286 174 M CB -1.082 31.556 32.600 0.064 0.000 0.592 174 M HN 0.396 nan 8.290 nan 0.000 0.338 175 A N 2.012 124.883 122.820 0.086 0.000 1.599 175 A HA 0.421 4.741 4.320 -0.000 0.000 0.160 175 A C 0.718 178.371 177.584 0.116 0.000 1.520 175 A CA 0.478 52.564 52.037 0.083 0.000 2.369 175 A CB -0.028 19.005 19.000 0.054 0.000 2.516 175 A HN 0.690 nan 8.150 nan 0.000 1.219 176 Q N 0.446 120.302 119.800 0.092 0.000 2.224 176 Q HA 0.006 4.346 4.340 -0.000 0.000 0.203 176 Q C 2.097 178.192 176.000 0.158 0.000 0.970 176 Q CA 1.560 57.449 55.803 0.143 0.000 0.865 176 Q CB -0.358 28.456 28.738 0.126 0.000 0.922 176 Q HN 0.662 nan 8.270 nan 0.000 0.445 177 A N 1.104 123.947 122.820 0.038 0.000 1.855 177 A HA -0.131 4.189 4.320 -0.000 0.000 0.213 177 A C 2.105 179.828 177.584 0.233 0.000 1.195 177 A CA 1.241 53.250 52.037 -0.047 0.000 0.610 177 A CB -0.383 18.471 19.000 -0.243 0.000 0.837 177 A HN 0.195 nan 8.150 nan 0.000 0.444 178 K N -0.710 119.893 120.400 0.337 0.000 2.160 178 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 178 K C 2.368 179.068 176.600 0.167 0.000 1.047 178 K CA 1.351 57.773 56.287 0.224 0.000 0.930 178 K CB -0.114 32.534 32.500 0.248 0.000 0.720 178 K HN 0.356 nan 8.250 nan 0.000 0.450 179 R N -0.118 120.533 120.500 0.252 0.000 2.062 179 R HA -0.135 4.205 4.340 -0.000 0.000 0.229 179 R C 1.744 178.212 176.300 0.281 0.000 1.128 179 R CA 1.404 57.672 56.100 0.280 0.000 0.960 179 R CB -0.438 30.006 30.300 0.240 0.000 0.855 179 R HN 0.239 nan 8.270 nan 0.000 0.432 180 W N 1.580 122.884 121.300 0.005 0.000 2.305 180 W HA -0.174 4.485 4.660 -0.000 0.000 0.308 180 W C 2.235 178.675 176.519 -0.131 0.000 1.226 180 W CA 1.221 58.538 57.345 -0.046 0.000 1.253 180 W CB -0.746 28.677 29.460 -0.062 0.000 1.146 180 W HN 0.092 nan 8.180 nan 0.000 0.507 181 L N -1.873 119.352 121.223 0.004 0.000 2.012 181 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 181 L C 2.169 178.865 176.870 -0.289 0.000 1.073 181 L CA 1.585 56.160 54.840 -0.441 0.000 0.748 181 L CB -1.166 40.420 42.059 -0.787 0.000 0.891 181 L HN 0.031 nan 8.230 nan 0.000 0.431 182 Y N -0.947 119.343 120.300 -0.017 0.000 2.337 182 Y HA -0.192 4.358 4.550 -0.000 0.000 0.293 182 Y C 2.808 178.712 175.900 0.008 0.000 1.123 182 Y CA 0.750 58.863 58.100 0.021 0.000 1.201 182 Y CB 0.041 38.519 38.460 0.030 0.000 1.011 182 Y HN 0.148 nan 8.280 nan 0.000 0.545 183 Q N 1.229 121.114 119.800 0.142 0.000 2.061 183 Q HA -0.035 4.305 4.340 -0.000 0.000 0.195 183 Q C 0.216 176.194 176.000 -0.036 0.000 0.967 183 Q CA 0.971 56.797 55.803 0.038 0.000 0.829 183 Q CB 0.313 29.040 28.738 -0.018 0.000 0.900 183 Q HN 0.376 nan 8.270 nan 0.000 0.450 184 R N -0.902 119.550 120.500 -0.081 0.000 2.687 184 R HA 0.334 4.673 4.340 -0.000 0.000 0.264 184 R C -2.502 173.771 176.300 -0.045 0.000 1.715 184 R CA -1.222 54.808 56.100 -0.117 0.000 1.633 184 R CB 1.050 31.167 30.300 -0.305 0.000 1.353 184 R HN 0.041 nan 8.270 nan 0.000 0.653 185 P HA -0.136 nan 4.420 nan 0.000 0.229 185 P C 0.413 177.680 177.300 -0.054 0.000 1.160 185 P CA 0.863 63.932 63.100 -0.052 0.000 0.777 185 P CB 0.527 32.245 31.700 0.029 0.000 0.814 186 Q N 0.739 120.573 119.800 0.057 0.000 1.990 186 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 186 Q C 2.486 178.582 176.000 0.159 0.000 0.980 186 Q CA 1.623 57.523 55.803 0.162 0.000 0.832 186 Q CB -1.187 27.623 28.738 0.120 0.000 0.897 186 Q HN 0.115 nan 8.270 nan 0.000 0.427 187 A N 1.367 124.243 122.820 0.095 0.000 1.948 187 A HA -0.240 4.079 4.320 -0.000 0.000 0.220 187 A C 2.325 180.054 177.584 0.242 0.000 1.177 187 A CA 2.003 54.122 52.037 0.137 0.000 0.636 187 A CB -0.713 18.302 19.000 0.026 0.000 0.815 187 A HN 0.323 nan 8.150 nan 0.000 0.449 188 S N -1.094 114.729 115.700 0.204 0.000 2.355 188 S HA -0.135 4.335 4.470 -0.000 0.000 0.222 188 S C 1.909 176.593 174.600 0.141 0.000 1.031 188 S CA 1.085 59.374 58.200 0.148 0.000 0.993 188 S CB -0.578 62.599 63.200 -0.039 0.000 0.859 188 S HN 0.712 nan 8.310 nan 0.000 0.453 189 H N 1.586 120.792 119.070 0.226 0.000 2.265 189 H HA -0.137 4.419 4.556 -0.000 0.000 0.293 189 H C 2.411 177.828 175.328 0.149 0.000 1.089 189 H CA 1.897 58.096 56.048 0.251 0.000 1.244 189 H CB -0.808 29.098 29.762 0.241 0.000 1.355 189 H HN 0.459 nan 8.280 nan 0.000 0.485 190 Q N 0.015 119.973 119.800 0.265 0.000 2.077 190 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 190 Q C 2.441 178.497 176.000 0.093 0.000 0.989 190 Q CA 1.724 57.625 55.803 0.163 0.000 0.853 190 Q CB -0.164 28.657 28.738 0.139 0.000 0.907 190 Q HN 0.271 nan 8.270 nan 0.000 0.418 191 L N 0.543 121.810 121.223 0.073 0.000 2.017 191 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 191 L C 2.088 178.914 176.870 -0.074 0.000 1.073 191 L CA 1.602 56.440 54.840 -0.002 0.000 0.745 191 L CB -0.658 41.385 42.059 -0.027 0.000 0.894 191 L HN 0.290 nan 8.230 nan 0.000 0.432 192 L N -0.646 120.495 121.223 -0.136 0.000 2.079 192 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 192 L C 2.787 179.458 176.870 -0.331 0.000 1.081 192 L CA 1.372 55.990 54.840 -0.371 0.000 0.752 192 L CB -0.524 41.110 42.059 -0.708 0.000 0.896 192 L HN 0.314 nan 8.230 nan 0.000 0.433 193 R N 0.879 121.327 120.500 -0.087 0.000 2.073 193 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 193 R C 2.035 178.367 176.300 0.053 0.000 1.134 193 R CA 1.714 57.870 56.100 0.095 0.000 0.952 193 R CB -0.648 29.747 30.300 0.157 0.000 0.850 193 R HN 0.279 nan 8.270 nan 0.000 0.433 194 I N 0.153 120.735 120.570 0.020 0.000 2.226 194 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 194 I C 2.086 178.203 176.117 0.001 0.000 1.100 194 I CA 1.236 62.544 61.300 0.012 0.000 1.374 194 I CB -0.284 37.714 38.000 -0.003 0.000 1.057 194 I HN 0.137 nan 8.210 nan 0.000 0.413 195 L N -0.029 121.176 121.223 -0.030 0.000 2.083 195 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 195 L C 2.584 179.475 176.870 0.035 0.000 1.083 195 L CA 1.479 56.306 54.840 -0.021 0.000 0.752 195 L CB -0.853 41.171 42.059 -0.058 0.000 0.899 195 L HN 0.278 nan 8.230 nan 0.000 0.433 196 T N -1.409 113.180 114.554 0.057 0.000 2.777 196 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 196 T C 1.404 176.173 174.700 0.115 0.000 1.040 196 T CA 1.269 63.446 62.100 0.127 0.000 1.141 196 T CB -0.182 68.814 68.868 0.214 0.000 0.868 196 T HN 0.275 nan 8.240 nan 0.000 0.444 197 D N 1.105 121.560 120.400 0.092 0.000 2.269 197 D HA 0.119 4.759 4.640 -0.000 0.000 0.208 197 D C 2.194 178.539 176.300 0.075 0.000 0.963 197 D CA 0.716 54.765 54.000 0.081 0.000 0.864 197 D CB -0.190 40.650 40.800 0.067 0.000 0.936 197 D HN 0.408 nan 8.370 nan 0.000 0.505 198 A N 0.271 123.130 122.820 0.065 0.000 1.930 198 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 198 A C 2.269 179.922 177.584 0.115 0.000 1.176 198 A CA 0.449 52.523 52.037 0.062 0.000 0.632 198 A CB -0.494 18.514 19.000 0.014 0.000 0.819 198 A HN 0.160 nan 8.150 nan 0.000 0.445 199 L N -0.433 120.869 121.223 0.133 0.000 2.156 199 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 199 L C 2.473 179.460 176.870 0.196 0.000 1.095 199 L CA 0.635 55.596 54.840 0.202 0.000 0.770 199 L CB -0.422 41.751 42.059 0.190 0.000 0.914 199 L HN 0.232 nan 8.230 nan 0.000 0.439 200 V N 0.731 120.732 119.914 0.146 0.000 2.220 200 V HA -0.187 3.932 4.120 -0.000 0.000 0.246 200 V C -0.208 175.955 176.094 0.114 0.000 1.049 200 V CA 2.254 64.622 62.300 0.114 0.000 1.003 200 V CB -1.887 29.990 31.823 0.091 0.000 0.634 200 V HN 0.379 nan 8.190 nan 0.000 0.444 201 P HA -0.204 nan 4.420 nan 0.000 0.222 201 P C 1.525 178.963 177.300 0.229 0.000 1.147 201 P CA 1.568 64.748 63.100 0.134 0.000 0.790 201 P CB -0.152 31.623 31.700 0.125 0.000 0.780 202 Y N 1.174 121.549 120.300 0.124 0.000 2.242 202 Y HA -0.088 4.462 4.550 -0.000 0.000 0.291 202 Y C 2.219 178.237 175.900 0.196 0.000 1.137 202 Y CA 1.197 59.413 58.100 0.193 0.000 1.181 202 Y CB -1.164 37.346 38.460 0.083 0.000 0.989 202 Y HN -0.225 nan 8.280 nan 0.000 0.527 203 L N -1.509 119.734 121.223 0.033 0.000 2.131 203 L HA -0.123 4.216 4.340 -0.000 0.000 0.206 203 L C 2.384 179.212 176.870 -0.069 0.000 1.087 203 L CA 0.643 55.425 54.840 -0.096 0.000 0.767 203 L CB -0.666 41.386 42.059 -0.012 0.000 0.917 203 L HN 0.010 nan 8.230 nan 0.000 0.441 204 V N 0.480 120.377 119.914 -0.028 0.000 2.255 204 V HA -0.273 3.846 4.120 -0.000 0.000 0.247 204 V C 2.689 178.685 176.094 -0.163 0.000 1.051 204 V CA 2.145 64.408 62.300 -0.062 0.000 1.018 204 V CB -1.502 30.302 31.823 -0.031 0.000 0.641 204 V HN 0.578 nan 8.190 nan 0.000 0.445 205 G N -0.442 108.226 108.800 -0.219 0.000 2.649 205 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.220 205 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.220 205 G C 1.424 175.911 174.900 -0.687 0.000 1.189 205 G CA 1.442 46.114 45.100 -0.714 0.000 0.777 205 G HN 0.613 nan 8.290 nan 0.000 0.602 206 Q N -0.256 119.413 119.800 -0.218 0.000 2.124 206 Q HA -0.034 4.306 4.340 -0.000 0.000 0.202 206 Q C 2.855 178.782 176.000 -0.121 0.000 0.977 206 Q CA 1.404 57.154 55.803 -0.088 0.000 0.850 206 Q CB -0.247 28.426 28.738 -0.109 0.000 0.901 206 Q HN 0.468 nan 8.270 nan 0.000 0.429 207 V N 0.278 120.116 119.914 -0.127 0.000 2.379 207 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 207 V C 2.298 178.343 176.094 -0.080 0.000 1.044 207 V CA 1.078 63.327 62.300 -0.085 0.000 1.036 207 V CB -0.451 31.340 31.823 -0.053 0.000 0.664 207 V HN 0.139 nan 8.190 nan 0.000 0.453 208 V N 0.905 120.743 119.914 -0.127 0.000 2.252 208 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 208 V C 2.706 178.777 176.094 -0.039 0.000 1.056 208 V CA 2.220 64.463 62.300 -0.095 0.000 1.022 208 V CB -1.220 30.500 31.823 -0.171 0.000 0.641 208 V HN 0.568 nan 8.190 nan 0.000 0.445 209 A N -0.738 122.008 122.820 -0.124 0.000 2.225 209 A HA 0.225 4.544 4.320 -0.000 0.000 0.215 209 A C 1.903 179.539 177.584 0.087 0.000 1.164 209 A CA 1.477 53.522 52.037 0.014 0.000 0.710 209 A CB -0.653 18.362 19.000 0.025 0.000 0.780 209 A HN 1.381 nan 8.150 nan 0.000 0.473 210 G N -2.986 105.791 108.800 -0.038 0.000 2.159 210 G HA2 0.223 4.183 3.960 -0.000 0.000 0.170 210 G HA3 0.223 4.183 3.960 -0.000 0.000 0.170 210 G C 0.244 174.966 174.900 -0.296 0.000 1.007 210 G CA -0.004 44.899 45.100 -0.328 0.000 0.672 210 G HN 1.490 nan 8.290 nan 0.000 0.507 211 A N 0.020 122.753 122.820 -0.145 0.000 2.492 211 A HA 0.615 4.935 4.320 -0.000 0.000 0.254 211 A C 1.076 178.608 177.584 -0.087 0.000 1.091 211 A CA 0.987 52.962 52.037 -0.105 0.000 0.768 211 A CB 0.303 19.265 19.000 -0.064 0.000 1.028 211 A HN 0.496 nan 8.150 nan 0.000 0.498 212 Q N 0.664 120.418 119.800 -0.077 0.000 2.356 212 Q HA 0.409 4.749 4.340 -0.000 0.000 0.205 212 Q C 0.253 176.266 176.000 0.021 0.000 0.901 212 Q CA 0.792 56.578 55.803 -0.028 0.000 0.938 212 Q CB 0.495 29.213 28.738 -0.034 0.000 1.081 212 Q HN 0.912 nan 8.270 nan 0.000 0.517 213 A N 0.436 123.261 122.820 0.008 0.000 2.605 213 A HA 0.666 4.986 4.320 -0.000 0.000 0.294 213 A C -1.874 175.725 177.584 0.025 0.000 1.062 213 A CA -0.693 51.358 52.037 0.023 0.000 0.682 213 A CB 1.114 20.191 19.000 0.128 0.000 1.278 213 A HN 0.141 nan 8.150 nan 0.000 0.410 214 L N 0.844 122.094 121.223 0.045 0.000 2.386 214 L HA 0.667 5.006 4.340 -0.000 0.000 0.271 214 L C -0.219 176.748 176.870 0.163 0.000 0.993 214 L CA -0.492 54.405 54.840 0.096 0.000 0.819 214 L CB 2.223 44.328 42.059 0.078 0.000 1.294 214 L HN 0.867 nan 8.230 nan 0.000 0.414 215 Q N 2.434 122.377 119.800 0.239 0.000 2.333 215 Q HA 0.535 4.875 4.340 -0.000 0.000 0.265 215 Q C -1.551 174.632 176.000 0.306 0.000 0.989 215 Q CA -0.736 55.206 55.803 0.233 0.000 0.842 215 Q CB 1.980 30.845 28.738 0.212 0.000 1.262 215 Q HN 0.497 nan 8.270 nan 0.000 0.451 216 L N 4.542 125.897 121.223 0.219 0.000 2.275 216 L HA 0.404 4.744 4.340 -0.000 0.000 0.288 216 L C -1.559 175.404 176.870 0.155 0.000 1.046 216 L CA -0.106 54.894 54.840 0.267 0.000 0.805 216 L CB 0.724 42.937 42.059 0.256 0.000 1.193 216 L HN 0.633 nan 8.230 nan 0.000 0.426 217 Y N 2.863 123.360 120.300 0.329 0.000 2.331 217 Y HA 0.416 4.965 4.550 -0.000 0.000 0.338 217 Y C 0.008 176.071 175.900 0.272 0.000 0.976 217 Y CA -0.469 57.843 58.100 0.354 0.000 1.137 217 Y CB 1.377 40.073 38.460 0.394 0.000 1.172 217 Y HN 0.502 nan 8.280 nan 0.000 0.478 218 E N 1.188 121.561 120.200 0.288 0.000 2.546 218 E HA 0.293 4.643 4.350 -0.000 0.000 0.227 218 E C -0.033 176.654 176.600 0.144 0.000 1.009 218 E CA -0.108 56.439 56.400 0.244 0.000 0.813 218 E CB 0.355 30.179 29.700 0.207 0.000 1.269 218 E HN 0.597 nan 8.360 nan 0.000 0.432 219 S N 1.629 117.490 115.700 0.268 0.000 2.428 219 S HA -0.086 4.383 4.470 -0.000 0.000 0.230 219 S C 0.509 175.069 174.600 -0.067 0.000 1.014 219 S CA 0.718 58.998 58.200 0.132 0.000 0.957 219 S CB -0.219 63.170 63.200 0.315 0.000 0.784 219 S HN 0.538 nan 8.310 nan 0.000 0.499 220 H N 0.478 119.577 119.070 0.049 0.000 2.539 220 H HA 0.608 5.164 4.556 -0.000 0.000 0.293 220 H C 1.301 176.792 175.328 0.273 0.000 1.156 220 H CA 0.032 56.022 56.048 -0.095 0.000 1.012 220 H CB -0.282 29.177 29.762 -0.505 0.000 1.600 220 H HN 0.324 nan 8.280 nan 0.000 0.538 221 A N 0.246 123.239 122.820 0.290 0.000 1.873 221 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 221 A C 2.649 180.437 177.584 0.340 0.000 1.186 221 A CA 1.446 53.671 52.037 0.312 0.000 0.616 221 A CB -0.919 18.123 19.000 0.071 0.000 0.823 221 A HN 0.569 nan 8.150 nan 0.000 0.442 222 G N -0.838 108.120 108.800 0.264 0.000 2.469 222 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 222 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 222 G C 1.333 176.445 174.900 0.354 0.000 1.136 222 G CA 1.162 46.452 45.100 0.318 0.000 0.759 222 G HN 0.808 nan 8.290 nan 0.000 0.562 223 H N 0.123 119.311 119.070 0.197 0.000 2.325 223 H HA -0.069 4.487 4.556 -0.000 0.000 0.293 223 H C 0.803 176.182 175.328 0.085 0.000 1.106 223 H CA 0.491 56.649 56.048 0.182 0.000 1.247 223 H CB -0.236 29.730 29.762 0.340 0.000 1.359 223 H HN 0.236 nan 8.280 nan 0.000 0.488 224 L N 0.953 122.293 121.223 0.195 0.000 2.395 224 L HA 0.234 4.574 4.340 -0.000 0.000 0.269 224 L C 1.255 177.996 176.870 -0.215 0.000 1.133 224 L CA -0.623 54.208 54.840 -0.014 0.000 0.812 224 L CB 0.987 43.002 42.059 -0.073 0.000 1.125 224 L HN 0.138 nan 8.230 nan 0.000 0.452 225 G N 1.370 110.043 108.800 -0.212 0.000 2.667 225 G HA2 0.179 4.139 3.960 -0.000 0.000 0.250 225 G HA3 0.179 4.139 3.960 -0.000 0.000 0.250 225 G C -1.828 172.760 174.900 -0.520 0.000 1.212 225 G CA -0.853 44.019 45.100 -0.380 0.000 0.874 225 G HN 0.459 nan 8.290 nan 0.000 0.561 226 P HA -0.188 nan 4.420 nan 0.000 0.215 226 P C 1.772 179.102 177.300 0.050 0.000 1.163 226 P CA 1.567 64.560 63.100 -0.178 0.000 0.894 226 P CB 0.141 31.781 31.700 -0.101 0.000 0.791 227 Q N -0.795 119.000 119.800 -0.008 0.000 2.020 227 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 227 Q C 2.351 178.366 176.000 0.025 0.000 0.982 227 Q CA 1.275 57.089 55.803 0.019 0.000 0.838 227 Q CB -1.310 27.438 28.738 0.017 0.000 0.899 227 Q HN 0.205 nan 8.270 nan 0.000 0.423 228 L N -0.494 120.751 121.223 0.037 0.000 1.990 228 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 228 L C 2.295 179.222 176.870 0.095 0.000 1.072 228 L CA 1.564 56.456 54.840 0.087 0.000 0.755 228 L CB -0.512 41.530 42.059 -0.030 0.000 0.889 228 L HN 0.263 nan 8.230 nan 0.000 0.432 229 F N 1.429 121.364 119.950 -0.026 0.000 2.154 229 F HA -0.281 4.246 4.527 -0.000 0.000 0.301 229 F C 2.260 178.076 175.800 0.027 0.000 1.087 229 F CA 1.866 59.888 58.000 0.036 0.000 1.274 229 F CB -0.177 38.996 39.000 0.288 0.000 1.009 229 F HN 0.192 nan 8.300 nan 0.000 0.485 230 N N 0.364 119.124 118.700 0.099 0.000 2.376 230 N HA -0.069 4.671 4.740 -0.000 0.000 0.177 230 N C 1.374 176.774 175.510 -0.184 0.000 1.024 230 N CA 1.113 54.146 53.050 -0.028 0.000 0.893 230 N CB -0.254 38.264 38.487 0.052 0.000 0.980 230 N HN 0.427 nan 8.380 nan 0.000 0.439 231 K N -0.959 119.263 120.400 -0.296 0.000 2.361 231 K HA 0.162 4.482 4.320 -0.000 0.000 0.196 231 K C 0.664 176.872 176.600 -0.654 0.000 1.039 231 K CA 0.669 56.606 56.287 -0.583 0.000 1.001 231 K CB 0.259 32.192 32.500 -0.946 0.000 0.795 231 K HN 0.155 nan 8.250 nan 0.000 0.495 232 F N -1.005 118.911 119.950 -0.056 0.000 2.754 232 F HA 0.280 4.807 4.527 -0.000 0.000 0.316 232 F C 1.965 177.801 175.800 0.061 0.000 0.959 232 F CA -0.215 57.809 58.000 0.040 0.000 1.148 232 F CB 0.531 39.451 39.000 -0.132 0.000 0.951 232 F HN -0.069 nan 8.300 nan 0.000 0.625 233 A N -0.175 122.580 122.820 -0.109 0.000 1.944 233 A HA 0.117 4.437 4.320 -0.000 0.000 0.207 233 A C 1.729 179.126 177.584 -0.311 0.000 1.265 233 A CA 0.402 52.310 52.037 -0.215 0.000 0.712 233 A CB -0.735 17.948 19.000 -0.528 0.000 0.915 233 A HN 0.189 nan 8.150 nan 0.000 0.470 234 L N 0.872 121.697 121.223 -0.663 0.000 1.990 234 L HA -0.070 4.270 4.340 -0.000 0.000 0.213 234 L C -0.860 175.909 176.870 -0.168 0.000 1.072 234 L CA 2.532 57.136 54.840 -0.393 0.000 0.755 234 L CB -1.184 40.716 42.059 -0.266 0.000 0.889 234 L HN 0.152 nan 8.230 nan 0.000 0.432 235 P HA -0.207 nan 4.420 nan 0.000 0.216 235 P C 1.103 178.221 177.300 -0.303 0.000 1.153 235 P CA 1.851 64.744 63.100 -0.345 0.000 0.858 235 P CB -0.158 31.155 31.700 -0.644 0.000 0.789 236 Y N -1.434 118.878 120.300 0.020 0.000 2.243 236 Y HA -0.037 4.513 4.550 -0.000 0.000 0.293 236 Y C 2.348 178.306 175.900 0.096 0.000 1.124 236 Y CA 0.488 58.629 58.100 0.068 0.000 1.159 236 Y CB -1.234 37.283 38.460 0.095 0.000 1.008 236 Y HN -0.179 nan 8.280 nan 0.000 0.527 237 I N 0.230 120.935 120.570 0.226 0.000 2.236 237 I HA -0.401 3.769 4.170 -0.000 0.000 0.249 237 I C 2.346 178.632 176.117 0.282 0.000 1.102 237 I CA 1.606 63.038 61.300 0.220 0.000 1.365 237 I CB -0.326 37.741 38.000 0.112 0.000 1.051 237 I HN 0.200 nan 8.210 nan 0.000 0.420 238 R N 0.319 120.917 120.500 0.164 0.000 2.062 238 R HA -0.134 4.206 4.340 -0.000 0.000 0.229 238 R C 1.969 178.322 176.300 0.088 0.000 1.128 238 R CA 1.599 57.777 56.100 0.129 0.000 0.960 238 R CB -0.363 29.962 30.300 0.041 0.000 0.855 238 R HN 0.355 nan 8.270 nan 0.000 0.432 239 D N 0.318 120.757 120.400 0.065 0.000 2.117 239 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 239 D C 2.011 178.364 176.300 0.089 0.000 0.987 239 D CA 0.973 55.010 54.000 0.061 0.000 0.829 239 D CB -0.413 40.426 40.800 0.066 0.000 0.961 239 D HN -0.013 nan 8.370 nan 0.000 0.460 240 V N 1.649 121.648 119.914 0.141 0.000 2.252 240 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 240 V C 2.585 178.725 176.094 0.076 0.000 1.056 240 V CA 2.096 64.481 62.300 0.141 0.000 1.022 240 V CB -0.912 31.037 31.823 0.209 0.000 0.641 240 V HN 0.225 nan 8.190 nan 0.000 0.445 241 A N -0.653 122.193 122.820 0.044 0.000 1.883 241 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 241 A C 2.354 179.880 177.584 -0.096 0.000 1.186 241 A CA 2.290 54.227 52.037 -0.167 0.000 0.624 241 A CB -0.564 18.125 19.000 -0.518 0.000 0.822 241 A HN 0.520 nan 8.150 nan 0.000 0.444 242 K N -0.555 119.823 120.400 -0.036 0.000 2.009 242 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 242 K C 2.238 178.833 176.600 -0.008 0.000 1.049 242 K CA 1.973 58.248 56.287 -0.021 0.000 0.929 242 K CB -0.210 32.288 32.500 -0.002 0.000 0.714 242 K HN 0.676 nan 8.250 nan 0.000 0.440 243 Q N -0.264 119.543 119.800 0.012 0.000 2.245 243 Q HA -0.051 4.289 4.340 -0.000 0.000 0.201 243 Q C 2.033 178.043 176.000 0.016 0.000 0.955 243 Q CA 0.770 56.586 55.803 0.021 0.000 0.870 243 Q CB 0.317 29.079 28.738 0.040 0.000 0.945 243 Q HN 0.132 nan 8.270 nan 0.000 0.461 244 V N 1.364 121.284 119.914 0.011 0.000 2.548 244 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 244 V C 2.023 178.115 176.094 -0.005 0.000 1.055 244 V CA 1.559 63.863 62.300 0.007 0.000 1.065 244 V CB -0.294 31.533 31.823 0.007 0.000 0.681 244 V HN 0.269 nan 8.190 nan 0.000 0.462 245 K N 0.255 120.645 120.400 -0.016 0.000 2.057 245 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 245 K C 2.348 178.948 176.600 0.000 0.000 1.050 245 K CA 1.368 57.650 56.287 -0.008 0.000 0.935 245 K CB -0.376 32.113 32.500 -0.018 0.000 0.715 245 K HN 0.451 nan 8.250 nan 0.000 0.439 246 A N 1.979 124.799 122.820 -0.000 0.000 1.865 246 A HA -0.189 4.130 4.320 -0.000 0.000 0.217 246 A C 2.096 179.682 177.584 0.004 0.000 1.191 246 A CA 1.392 53.431 52.037 0.003 0.000 0.623 246 A CB -0.485 18.518 19.000 0.005 0.000 0.826 246 A HN 0.205 nan 8.150 nan 0.000 0.444 247 R N -0.781 119.723 120.500 0.006 0.000 2.152 247 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 247 R C 2.005 178.306 176.300 0.001 0.000 1.117 247 R CA 1.213 57.316 56.100 0.006 0.000 0.981 247 R CB -0.473 29.833 30.300 0.010 0.000 0.870 247 R HN 0.538 nan 8.270 nan 0.000 0.451 248 L N 0.217 121.441 121.223 0.001 0.000 2.109 248 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 248 L C 2.562 179.433 176.870 0.003 0.000 1.086 248 L CA 0.894 55.734 54.840 0.001 0.000 0.760 248 L CB -0.270 41.793 42.059 0.006 0.000 0.910 248 L HN 0.103 nan 8.230 nan 0.000 0.437 249 R N 0.476 120.978 120.500 0.003 0.000 2.096 249 R HA -0.222 4.117 4.340 -0.000 0.000 0.229 249 R C 2.036 178.335 176.300 -0.001 0.000 1.134 249 R CA 1.647 57.747 56.100 0.001 0.000 0.917 249 R CB -0.887 29.413 30.300 -0.000 0.000 0.832 249 R HN 0.298 nan 8.270 nan 0.000 0.430 250 E N 0.827 121.027 120.200 0.000 0.000 2.136 250 E HA -0.219 4.131 4.350 -0.000 0.000 0.208 250 E C 1.845 178.444 176.600 -0.002 0.000 1.035 250 E CA 2.105 58.505 56.400 -0.000 0.000 0.838 250 E CB -0.297 29.404 29.700 0.002 0.000 0.748 250 E HN 0.481 nan 8.360 nan 0.000 0.459 251 A N -0.436 122.383 122.820 -0.003 0.000 2.216 251 A HA 0.138 4.458 4.320 -0.000 0.000 0.214 251 A C 1.793 179.375 177.584 -0.003 0.000 1.160 251 A CA 1.054 53.088 52.037 -0.005 0.000 0.725 251 A CB -0.734 18.260 19.000 -0.010 0.000 0.784 251 A HN 0.401 nan 8.150 nan 0.000 0.472 252 G N -1.491 107.308 108.800 -0.002 0.000 2.179 252 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.257 252 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.257 252 G C -0.006 174.895 174.900 0.002 0.000 1.010 252 G CA 0.546 45.645 45.100 -0.002 0.000 0.736 252 G HN 0.483 nan 8.290 nan 0.000 0.513 253 L N 0.153 121.379 121.223 0.004 0.000 2.334 253 L HA 0.726 5.066 4.340 -0.000 0.000 0.275 253 L C 1.100 177.979 176.870 0.015 0.000 1.036 253 L CA -0.685 54.162 54.840 0.012 0.000 0.807 253 L CB 1.705 43.771 42.059 0.012 0.000 1.231 253 L HN 0.278 nan 8.230 nan 0.000 0.438 254 A N 4.111 126.943 122.820 0.021 0.000 2.522 254 A HA 0.389 4.709 4.320 -0.000 0.000 0.256 254 A C -2.185 175.435 177.584 0.060 0.000 1.086 254 A CA -0.783 51.270 52.037 0.026 0.000 0.763 254 A CB -0.730 18.285 19.000 0.024 0.000 1.024 254 A HN 0.426 nan 8.150 nan 0.000 0.502 255 P HA 0.343 nan 4.420 nan 0.000 0.271 255 P C -0.436 177.009 177.300 0.242 0.000 1.244 255 P CA -0.139 63.035 63.100 0.123 0.000 0.793 255 P CB 0.604 32.378 31.700 0.124 0.000 0.984 256 V N -3.507 116.532 119.914 0.208 0.000 3.007 256 V HA 0.622 4.742 4.120 -0.000 0.000 0.311 256 V C -2.848 173.206 176.094 -0.067 0.000 1.120 256 V CA -3.092 59.316 62.300 0.180 0.000 0.980 256 V CB 1.411 33.274 31.823 0.068 0.000 1.033 256 V HN 0.272 nan 8.190 nan 0.000 0.429 257 P HA 0.271 nan 4.420 nan 0.000 0.264 257 P C -0.575 176.553 177.300 -0.285 0.000 1.193 257 P CA 0.535 63.207 63.100 -0.713 0.000 0.763 257 P CB 0.217 31.381 31.700 -0.893 0.000 0.810 258 M N 3.554 123.025 119.600 -0.215 0.000 2.364 258 M HA 0.476 4.955 4.480 -0.000 0.000 0.334 258 M C -0.219 176.189 176.300 0.181 0.000 1.107 258 M CA -0.513 54.783 55.300 -0.006 0.000 0.988 258 M CB 1.552 34.084 32.600 -0.113 0.000 1.673 258 M HN 0.142 nan 8.290 nan 0.000 0.441 259 I N 3.146 123.878 120.570 0.269 0.000 2.465 259 I HA 0.485 4.655 4.170 -0.000 0.000 0.291 259 I C -0.983 175.213 176.117 0.131 0.000 1.014 259 I CA -0.838 60.583 61.300 0.201 0.000 1.093 259 I CB 2.160 40.249 38.000 0.148 0.000 1.267 259 I HN 0.550 nan 8.210 nan 0.000 0.431 260 I N 6.621 127.127 120.570 -0.106 0.000 2.378 260 I HA 0.476 4.646 4.170 -0.000 0.000 0.291 260 I C -1.518 174.548 176.117 -0.086 0.000 0.992 260 I CA -0.315 60.787 61.300 -0.329 0.000 1.154 260 I CB 1.155 38.617 38.000 -0.897 0.000 1.315 260 I HN 0.416 nan 8.210 nan 0.000 0.448 261 F N 8.240 128.049 119.950 -0.234 0.000 2.427 261 F HA 0.819 5.345 4.527 -0.000 0.000 0.348 261 F C -0.703 175.034 175.800 -0.106 0.000 1.125 261 F CA -0.869 57.015 58.000 -0.193 0.000 0.989 261 F CB 1.244 40.050 39.000 -0.322 0.000 1.165 261 F HN 0.568 nan 8.300 nan 0.000 0.442 262 A N 7.104 129.538 122.820 -0.642 0.000 2.323 262 A HA 0.389 4.709 4.320 -0.000 0.000 0.305 262 A C -0.530 176.560 177.584 -0.823 0.000 1.275 262 A CA -0.873 50.819 52.037 -0.576 0.000 0.804 262 A CB 0.438 19.221 19.000 -0.362 0.000 1.152 262 A HN 0.773 nan 8.150 nan 0.000 0.487 263 K N 2.651 122.534 120.400 -0.862 0.000 2.412 263 K HA 0.114 4.433 4.320 -0.000 0.000 0.281 263 K C -0.648 175.734 176.600 -0.364 0.000 1.027 263 K CA 0.187 56.093 56.287 -0.634 0.000 0.989 263 K CB 0.152 32.390 32.500 -0.437 0.000 0.935 263 K HN 0.756 nan 8.250 nan 0.000 0.475 264 D N 2.593 122.802 120.400 -0.319 0.000 2.699 264 D HA -0.149 4.491 4.640 -0.000 0.000 0.239 264 D C 0.133 176.355 176.300 -0.130 0.000 1.136 264 D CA 1.136 55.047 54.000 -0.148 0.000 0.668 264 D CB -1.140 39.641 40.800 -0.033 0.000 1.060 264 D HN 0.871 nan 8.370 nan 0.000 0.429 265 G N 0.028 108.608 108.800 -0.367 0.000 3.774 265 G HA2 0.034 3.994 3.960 -0.000 0.000 0.287 265 G HA3 0.034 3.994 3.960 -0.000 0.000 0.287 265 G C 1.323 175.744 174.900 -0.799 0.000 1.030 265 G CA 0.111 44.705 45.100 -0.843 0.000 0.824 265 G HN 0.530 nan 8.290 nan 0.000 0.518 266 H N 1.232 120.045 119.070 -0.428 0.000 2.325 266 H HA -0.275 4.281 4.556 -0.000 0.000 0.293 266 H C 1.996 177.175 175.328 -0.249 0.000 1.106 266 H CA 1.665 57.565 56.048 -0.247 0.000 1.247 266 H CB -1.051 28.648 29.762 -0.104 0.000 1.359 266 H HN 0.564 nan 8.280 nan 0.000 0.488 267 F N 0.832 119.981 119.950 -1.335 0.000 2.451 267 F HA 0.384 4.910 4.527 -0.000 0.000 0.299 267 F C 2.207 177.703 175.800 -0.506 0.000 1.101 267 F CA 0.604 58.074 58.000 -0.883 0.000 1.436 267 F CB -0.271 38.212 39.000 -0.861 0.000 1.074 267 F HN 0.316 nan 8.300 nan 0.000 0.553 268 A N 0.386 122.595 122.820 -1.019 0.000 2.508 268 A HA 0.402 4.722 4.320 -0.000 0.000 0.257 268 A C 1.754 179.091 177.584 -0.412 0.000 1.226 268 A CA -0.271 51.319 52.037 -0.744 0.000 0.947 268 A CB -0.713 17.439 19.000 -1.414 0.000 1.079 268 A HN 0.428 nan 8.150 nan 0.000 0.531 269 L N -0.338 120.683 121.223 -0.336 0.000 2.079 269 L HA -0.215 4.124 4.340 -0.000 0.000 0.210 269 L C 2.391 179.205 176.870 -0.094 0.000 1.081 269 L CA 1.570 56.302 54.840 -0.181 0.000 0.752 269 L CB -0.608 41.372 42.059 -0.131 0.000 0.896 269 L HN 0.482 nan 8.230 nan 0.000 0.433 270 E N 0.227 120.378 120.200 -0.082 0.000 2.038 270 E HA -0.230 4.119 4.350 -0.000 0.000 0.195 270 E C 2.072 178.667 176.600 -0.007 0.000 1.000 270 E CA 1.671 58.052 56.400 -0.032 0.000 0.803 270 E CB -0.070 29.616 29.700 -0.023 0.000 0.750 270 E HN 0.617 nan 8.360 nan 0.000 0.448 271 E N 0.826 121.026 120.200 -0.001 0.000 2.158 271 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 271 E C 2.377 179.008 176.600 0.053 0.000 0.982 271 E CA 0.445 56.870 56.400 0.042 0.000 0.823 271 E CB -0.432 29.320 29.700 0.087 0.000 0.766 271 E HN 0.299 nan 8.360 nan 0.000 0.468 272 L N 1.129 122.367 121.223 0.024 0.000 2.083 272 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 272 L C 2.654 179.552 176.870 0.046 0.000 1.083 272 L CA 1.087 55.940 54.840 0.022 0.000 0.752 272 L CB -0.618 41.407 42.059 -0.057 0.000 0.899 272 L HN 0.125 nan 8.230 nan 0.000 0.433 273 A N -0.071 122.768 122.820 0.032 0.000 2.076 273 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 273 A C 1.769 179.396 177.584 0.072 0.000 1.160 273 A CA 1.614 53.681 52.037 0.051 0.000 0.653 273 A CB -0.340 18.679 19.000 0.033 0.000 0.801 273 A HN 0.659 nan 8.150 nan 0.000 0.455 274 Q N -1.716 118.128 119.800 0.073 0.000 2.158 274 Q HA 0.589 4.929 4.340 -0.000 0.000 0.306 274 Q C 0.327 176.386 176.000 0.099 0.000 0.878 274 Q CA 0.416 56.265 55.803 0.077 0.000 1.136 274 Q CB 0.242 29.011 28.738 0.051 0.000 1.253 274 Q HN 0.334 nan 8.270 nan 0.000 0.441 275 A N 0.474 123.391 122.820 0.161 0.000 2.379 275 A HA 0.508 4.827 4.320 -0.000 0.000 0.236 275 A C 1.300 179.021 177.584 0.229 0.000 1.272 275 A CA 0.266 52.433 52.037 0.217 0.000 0.886 275 A CB -0.333 18.841 19.000 0.290 0.000 0.962 275 A HN 0.801 nan 8.150 nan 0.000 0.504 276 G N -1.063 107.828 108.800 0.151 0.000 2.272 276 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.280 276 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.280 276 G C -0.341 174.508 174.900 -0.084 0.000 1.067 276 G CA 0.285 45.407 45.100 0.037 0.000 0.902 276 G HN 0.419 nan 8.290 nan 0.000 0.500 277 Y N -0.729 119.584 120.300 0.021 0.000 2.387 277 Y HA 0.516 5.066 4.550 -0.000 0.000 0.336 277 Y C 1.436 177.321 175.900 -0.024 0.000 1.067 277 Y CA -0.872 57.228 58.100 -0.001 0.000 1.114 277 Y CB 1.405 39.872 38.460 0.012 0.000 1.208 277 Y HN 0.140 nan 8.280 nan 0.000 0.458 278 E N 0.965 121.173 120.200 0.013 0.000 2.204 278 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 278 E C -0.439 176.152 176.600 -0.015 0.000 0.989 278 E CA 0.747 57.113 56.400 -0.056 0.000 0.824 278 E CB 0.044 29.561 29.700 -0.304 0.000 0.756 278 E HN 0.263 nan 8.360 nan 0.000 0.477 279 V N 0.164 120.104 119.914 0.043 0.000 2.789 279 V HA 0.371 4.491 4.120 -0.000 0.000 0.311 279 V C -0.649 175.491 176.094 0.077 0.000 1.073 279 V CA -1.049 61.275 62.300 0.039 0.000 0.921 279 V CB 2.480 34.301 31.823 -0.004 0.000 1.009 279 V HN -0.285 nan 8.190 nan 0.000 0.426 280 V N 2.661 122.616 119.914 0.068 0.000 2.409 280 V HA 0.712 4.832 4.120 -0.000 0.000 0.291 280 V C 0.650 176.802 176.094 0.097 0.000 1.020 280 V CA -0.299 62.034 62.300 0.055 0.000 0.848 280 V CB 1.735 33.579 31.823 0.036 0.000 0.990 280 V HN 1.018 nan 8.190 nan 0.000 0.430 281 G N 5.191 114.074 108.800 0.139 0.000 2.356 281 G HA2 0.693 4.653 3.960 -0.000 0.000 0.298 281 G HA3 0.693 4.653 3.960 -0.000 0.000 0.298 281 G C -0.885 174.235 174.900 0.365 0.000 1.145 281 G CA -0.378 44.882 45.100 0.266 0.000 0.850 281 G HN 0.573 nan 8.290 nan 0.000 0.487 282 L N 1.359 122.780 121.223 0.330 0.000 2.333 282 L HA 0.462 4.802 4.340 -0.000 0.000 0.263 282 L C -0.532 176.536 176.870 0.331 0.000 1.014 282 L CA -1.313 53.671 54.840 0.239 0.000 0.820 282 L CB 2.349 44.532 42.059 0.207 0.000 1.352 282 L HN 0.603 nan 8.230 nan 0.000 0.421 283 D N -1.044 119.439 120.400 0.139 0.000 2.466 283 D HA 0.080 4.720 4.640 -0.000 0.000 0.262 283 D C 0.567 176.882 176.300 0.024 0.000 1.177 283 D CA -0.684 53.340 54.000 0.040 0.000 1.035 283 D CB 0.396 40.943 40.800 -0.421 0.000 1.105 283 D HN 0.642 nan 8.370 nan 0.000 0.551 284 W N -1.282 120.071 121.300 0.089 0.000 2.825 284 W HA 0.025 4.685 4.660 -0.000 0.000 0.243 284 W C 1.470 178.009 176.519 0.033 0.000 1.293 284 W CA 0.788 58.168 57.345 0.058 0.000 1.403 284 W CB -0.995 28.485 29.460 0.034 0.000 1.134 284 W HN 0.397 nan 8.180 nan 0.000 0.666 285 T N -0.962 113.275 114.554 -0.528 0.000 3.043 285 T HA 0.047 4.396 4.350 -0.000 0.000 0.263 285 T C 0.634 175.235 174.700 -0.165 0.000 1.094 285 T CA 0.511 62.393 62.100 -0.364 0.000 1.127 285 T CB -0.737 67.845 68.868 -0.476 0.000 0.905 285 T HN -0.062 nan 8.240 nan 0.000 0.490 286 V N 2.184 122.024 119.914 -0.124 0.000 2.607 286 V HA 0.691 4.811 4.120 -0.000 0.000 0.289 286 V C 0.777 176.846 176.094 -0.043 0.000 1.053 286 V CA -1.262 61.001 62.300 -0.061 0.000 0.996 286 V CB 0.618 32.418 31.823 -0.038 0.000 0.995 286 V HN 0.562 nan 8.190 nan 0.000 0.476 287 A N 5.652 128.434 122.820 -0.064 0.000 2.362 287 A HA 0.550 4.870 4.320 -0.000 0.000 0.276 287 A C -1.329 176.139 177.584 -0.193 0.000 1.153 287 A CA -1.248 50.729 52.037 -0.101 0.000 0.813 287 A CB 0.337 19.287 19.000 -0.083 0.000 1.081 287 A HN 0.726 nan 8.150 nan 0.000 0.507 288 P HA -0.172 nan 4.420 nan 0.000 0.216 288 P C 1.155 178.164 177.300 -0.484 0.000 1.153 288 P CA 1.522 64.168 63.100 -0.756 0.000 0.858 288 P CB 0.182 31.062 31.700 -1.366 0.000 0.789 289 K N -0.234 119.974 120.400 -0.320 0.000 2.057 289 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 289 K C 2.121 178.648 176.600 -0.122 0.000 1.050 289 K CA 1.372 57.545 56.287 -0.191 0.000 0.935 289 K CB -0.268 32.150 32.500 -0.137 0.000 0.715 289 K HN 0.008 nan 8.250 nan 0.000 0.439 290 K N 0.616 120.950 120.400 -0.109 0.000 2.283 290 K HA -0.036 4.284 4.320 -0.000 0.000 0.202 290 K C 1.795 178.362 176.600 -0.055 0.000 1.048 290 K CA 1.027 57.274 56.287 -0.066 0.000 0.948 290 K CB 0.043 32.510 32.500 -0.054 0.000 0.742 290 K HN 0.128 nan 8.250 nan 0.000 0.458 291 A N 0.931 123.706 122.820 -0.075 0.000 1.897 291 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 291 A C 2.113 179.693 177.584 -0.007 0.000 1.181 291 A CA 1.390 53.406 52.037 -0.034 0.000 0.620 291 A CB -0.456 18.533 19.000 -0.017 0.000 0.821 291 A HN 0.314 nan 8.150 nan 0.000 0.443 292 R N 0.341 120.827 120.500 -0.025 0.000 2.073 292 R HA -0.052 4.287 4.340 -0.000 0.000 0.229 292 R C 1.927 178.229 176.300 0.003 0.000 1.120 292 R CA 1.878 57.984 56.100 0.011 0.000 0.967 292 R CB -0.633 29.667 30.300 0.000 0.000 0.862 292 R HN 0.667 nan 8.270 nan 0.000 0.436 293 E N -0.316 119.875 120.200 -0.016 0.000 2.019 293 E HA -0.280 4.070 4.350 -0.000 0.000 0.208 293 E C 1.806 178.403 176.600 -0.005 0.000 1.030 293 E CA 2.089 58.482 56.400 -0.011 0.000 0.856 293 E CB -0.423 29.265 29.700 -0.020 0.000 0.781 293 E HN 0.402 nan 8.360 nan 0.000 0.471 294 C N -0.039 119.255 119.300 -0.010 0.000 2.397 294 C HA -0.174 4.286 4.460 -0.000 0.000 0.282 294 C C 2.681 177.669 174.990 -0.003 0.000 1.252 294 C CA 1.382 60.394 59.018 -0.010 0.000 1.811 294 C CB -0.961 26.766 27.740 -0.021 0.000 2.027 294 C HN 0.605 nan 8.230 nan 0.000 0.503 295 V N -2.816 117.103 119.914 0.009 0.000 3.455 295 V HA 0.582 4.702 4.120 -0.000 0.000 0.250 295 V C 1.093 177.204 176.094 0.027 0.000 1.230 295 V CA 1.151 63.463 62.300 0.020 0.000 1.105 295 V CB -0.751 31.093 31.823 0.036 0.000 0.850 295 V HN 0.866 nan 8.190 nan 0.000 0.461 296 G N 1.580 110.396 108.800 0.026 0.000 2.527 296 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.227 296 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.227 296 G C 0.197 175.119 174.900 0.037 0.000 1.291 296 G CA 0.244 45.359 45.100 0.026 0.000 0.904 296 G HN 0.422 nan 8.290 nan 0.000 0.577 297 K N -0.160 120.260 120.400 0.033 0.000 2.450 297 K HA 0.129 4.449 4.320 -0.000 0.000 0.206 297 K C 2.503 179.127 176.600 0.040 0.000 1.148 297 K CA 1.299 57.607 56.287 0.036 0.000 1.014 297 K CB 0.335 32.846 32.500 0.017 0.000 0.966 297 K HN 0.688 nan 8.250 nan 0.000 0.566 298 T N 1.002 115.581 114.554 0.040 0.000 2.759 298 T HA -0.076 4.274 4.350 -0.000 0.000 0.269 298 T C 1.393 176.129 174.700 0.060 0.000 1.042 298 T CA 0.876 63.005 62.100 0.048 0.000 1.140 298 T CB -0.778 68.118 68.868 0.047 0.000 0.864 298 T HN 0.073 nan 8.240 nan 0.000 0.455 299 V N -0.379 119.572 119.914 0.062 0.000 2.617 299 V HA 0.630 4.750 4.120 -0.000 0.000 0.298 299 V C -0.135 176.004 176.094 0.075 0.000 1.048 299 V CA -0.968 61.371 62.300 0.066 0.000 0.964 299 V CB 1.427 33.291 31.823 0.068 0.000 1.004 299 V HN 0.125 nan 8.190 nan 0.000 0.466 300 T N 5.426 120.016 114.554 0.061 0.000 2.882 300 T HA 0.602 4.952 4.350 -0.000 0.000 0.287 300 T C -0.149 174.604 174.700 0.088 0.000 0.992 300 T CA -0.137 62.005 62.100 0.069 0.000 1.076 300 T CB 0.790 69.661 68.868 0.004 0.000 0.961 300 T HN 0.613 nan 8.240 nan 0.000 0.490 301 L N 2.686 123.996 121.223 0.144 0.000 2.344 301 L HA 0.584 4.923 4.340 -0.000 0.000 0.272 301 L C 0.171 177.110 176.870 0.115 0.000 1.035 301 L CA -0.708 54.230 54.840 0.164 0.000 0.807 301 L CB 1.570 43.800 42.059 0.285 0.000 1.237 301 L HN 0.491 nan 8.230 nan 0.000 0.442 302 Q N 0.812 120.658 119.800 0.077 0.000 2.305 302 Q HA 0.619 4.959 4.340 -0.000 0.000 0.271 302 Q C -0.603 175.402 176.000 0.009 0.000 1.046 302 Q CA -0.050 55.752 55.803 -0.001 0.000 0.798 302 Q CB 2.453 31.212 28.738 0.035 0.000 1.286 302 Q HN 0.843 nan 8.270 nan 0.000 0.435 303 G N 2.623 111.393 108.800 -0.050 0.000 2.247 303 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.229 303 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.229 303 G C -1.211 173.770 174.900 0.135 0.000 1.345 303 G CA 0.004 45.124 45.100 0.033 0.000 1.100 303 G HN 0.734 nan 8.290 nan 0.000 0.473 304 N N -0.195 118.689 118.700 0.306 0.000 2.451 304 N HA 0.345 5.085 4.740 -0.000 0.000 0.271 304 N C 0.008 175.670 175.510 0.254 0.000 1.410 304 N CA -0.254 52.962 53.050 0.276 0.000 0.884 304 N CB 0.442 39.147 38.487 0.364 0.000 1.332 304 N HN 0.763 nan 8.380 nan 0.000 0.498 305 L N 1.500 122.807 121.223 0.140 0.000 2.578 305 L HA 0.091 4.431 4.340 -0.000 0.000 0.279 305 L C 0.224 177.042 176.870 -0.087 0.000 1.227 305 L CA 0.303 55.154 54.840 0.017 0.000 0.900 305 L CB 0.182 42.166 42.059 -0.126 0.000 1.144 305 L HN 0.163 nan 8.230 nan 0.000 0.496 306 D N 7.134 127.457 120.400 -0.129 0.000 2.451 306 D HA 0.015 4.655 4.640 -0.000 0.000 0.254 306 D C -1.666 174.298 176.300 -0.560 0.000 1.204 306 D CA -1.375 52.316 54.000 -0.514 0.000 0.896 306 D CB 1.147 41.560 40.800 -0.645 0.000 1.136 306 D HN 0.362 nan 8.370 nan 0.000 0.499 307 P HA -0.116 nan 4.420 nan 0.000 0.218 307 P C 1.343 178.237 177.300 -0.676 0.000 1.148 307 P CA 0.678 63.327 63.100 -0.752 0.000 0.822 307 P CB 0.058 31.140 31.700 -1.030 0.000 0.784 308 C N -0.586 118.431 119.300 -0.471 0.000 2.409 308 C HA 0.007 4.467 4.460 -0.000 0.000 0.288 308 C C 2.819 177.688 174.990 -0.201 0.000 1.395 308 C CA 0.866 59.781 59.018 -0.170 0.000 1.792 308 C CB -2.006 25.756 27.740 0.036 0.000 1.847 308 C HN 0.245 nan 8.230 nan 0.000 0.534 309 A N 0.506 123.143 122.820 -0.304 0.000 2.070 309 A HA -0.034 4.286 4.320 -0.000 0.000 0.220 309 A C 1.915 179.344 177.584 -0.259 0.000 1.159 309 A CA 1.082 52.986 52.037 -0.222 0.000 0.656 309 A CB -0.492 18.386 19.000 -0.203 0.000 0.800 309 A HN 0.674 nan 8.150 nan 0.000 0.453 310 L N -1.856 119.110 121.223 -0.429 0.000 2.549 310 L HA -0.112 4.228 4.340 -0.000 0.000 0.229 310 L C 1.725 178.283 176.870 -0.521 0.000 1.158 310 L CA 0.609 55.180 54.840 -0.449 0.000 0.842 310 L CB -0.550 41.194 42.059 -0.525 0.000 0.952 310 L HN 0.511 nan 8.230 nan 0.000 0.452 311 Y N 0.108 120.245 120.300 -0.271 0.000 2.519 311 Y HA 0.146 4.696 4.550 -0.000 0.000 0.287 311 Y C 1.926 177.659 175.900 -0.278 0.000 1.128 311 Y CA -0.323 57.614 58.100 -0.272 0.000 1.282 311 Y CB -0.023 38.340 38.460 -0.161 0.000 1.027 311 Y HN 0.166 nan 8.280 nan 0.000 0.551 312 A N 0.491 123.249 122.820 -0.103 0.000 2.262 312 A HA 0.311 4.631 4.320 -0.000 0.000 0.273 312 A C 0.650 178.172 177.584 -0.104 0.000 1.202 312 A CA -0.048 51.944 52.037 -0.075 0.000 0.811 312 A CB -0.263 18.712 19.000 -0.041 0.000 1.159 312 A HN 0.272 nan 8.150 nan 0.000 0.505 313 S N -0.936 114.771 115.700 0.013 0.000 2.617 313 S HA 0.206 4.675 4.470 -0.000 0.000 0.269 313 S C 0.717 175.420 174.600 0.171 0.000 1.292 313 S CA 0.052 58.324 58.200 0.120 0.000 1.010 313 S CB 0.670 63.923 63.200 0.088 0.000 0.944 313 S HN 0.634 nan 8.310 nan 0.000 0.536 314 E N 1.272 121.617 120.200 0.241 0.000 2.114 314 E HA -0.275 4.074 4.350 -0.000 0.000 0.199 314 E C 1.789 178.450 176.600 0.103 0.000 1.008 314 E CA 1.732 58.227 56.400 0.157 0.000 0.810 314 E CB -0.408 29.336 29.700 0.073 0.000 0.739 314 E HN 0.932 nan 8.360 nan 0.000 0.456 315 E N 1.553 121.803 120.200 0.084 0.000 2.046 315 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 315 E C 1.801 178.430 176.600 0.048 0.000 0.982 315 E CA 1.023 57.461 56.400 0.063 0.000 0.800 315 E CB -0.031 29.701 29.700 0.053 0.000 0.756 315 E HN 0.198 nan 8.360 nan 0.000 0.449 316 E N 0.840 121.065 120.200 0.043 0.000 2.086 316 E HA -0.200 4.149 4.350 -0.000 0.000 0.200 316 E C 2.194 178.805 176.600 0.018 0.000 1.012 316 E CA 2.062 58.475 56.400 0.023 0.000 0.812 316 E CB -0.256 29.452 29.700 0.014 0.000 0.743 316 E HN 0.391 nan 8.360 nan 0.000 0.453 317 I N 0.352 120.944 120.570 0.037 0.000 2.118 317 I HA -0.277 3.893 4.170 -0.000 0.000 0.241 317 I C 2.532 178.667 176.117 0.031 0.000 1.070 317 I CA 1.330 62.655 61.300 0.042 0.000 1.327 317 I CB -1.024 37.025 38.000 0.080 0.000 1.034 317 I HN 0.237 nan 8.210 nan 0.000 0.405 318 G N 0.754 109.571 108.800 0.029 0.000 2.679 318 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.222 318 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.222 318 G C 1.477 176.278 174.900 -0.165 0.000 1.164 318 G CA 1.628 46.712 45.100 -0.028 0.000 0.769 318 G HN 0.472 nan 8.290 nan 0.000 0.610 319 Q N 0.117 119.860 119.800 -0.096 0.000 2.187 319 Q HA 0.271 4.611 4.340 -0.000 0.000 0.199 319 Q C 2.603 178.568 176.000 -0.059 0.000 0.957 319 Q CA 0.434 56.176 55.803 -0.101 0.000 0.857 319 Q CB -0.373 28.335 28.738 -0.049 0.000 0.929 319 Q HN 0.497 nan 8.270 nan 0.000 0.453 320 L N -0.020 121.189 121.223 -0.024 0.000 2.012 320 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 320 L C 2.135 179.023 176.870 0.031 0.000 1.073 320 L CA 1.018 55.861 54.840 0.005 0.000 0.748 320 L CB -0.674 41.389 42.059 0.007 0.000 0.891 320 L HN 0.149 nan 8.230 nan 0.000 0.431 321 V N -0.035 119.899 119.914 0.032 0.000 2.255 321 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 321 V C 2.532 178.630 176.094 0.007 0.000 1.051 321 V CA 2.068 64.405 62.300 0.061 0.000 1.018 321 V CB -0.648 31.195 31.823 0.033 0.000 0.641 321 V HN 0.412 nan 8.190 nan 0.000 0.445 322 K N -0.539 119.784 120.400 -0.128 0.000 2.044 322 K HA -0.287 4.033 4.320 -0.000 0.000 0.210 322 K C 2.437 179.022 176.600 -0.025 0.000 1.049 322 K CA 1.866 58.068 56.287 -0.142 0.000 0.927 322 K CB -0.210 32.130 32.500 -0.267 0.000 0.713 322 K HN 0.301 nan 8.250 nan 0.000 0.443 323 Q N 0.509 120.300 119.800 -0.016 0.000 2.046 323 Q HA -0.153 4.186 4.340 -0.000 0.000 0.200 323 Q C 1.988 178.003 176.000 0.026 0.000 0.975 323 Q CA 1.796 57.600 55.803 0.001 0.000 0.836 323 Q CB -0.251 28.486 28.738 -0.003 0.000 0.896 323 Q HN 0.423 nan 8.270 nan 0.000 0.428 324 M N -0.616 119.027 119.600 0.072 0.000 2.082 324 M HA -0.232 4.248 4.480 -0.000 0.000 0.258 324 M C 1.623 178.035 176.300 0.186 0.000 1.069 324 M CA 1.395 56.788 55.300 0.154 0.000 1.102 324 M CB -0.091 32.657 32.600 0.247 0.000 1.336 324 M HN 0.222 nan 8.290 nan 0.000 0.404 325 L N 0.627 121.953 121.223 0.171 0.000 2.083 325 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 325 L C 1.670 178.601 176.870 0.103 0.000 1.083 325 L CA 1.945 56.895 54.840 0.183 0.000 0.752 325 L CB -1.015 41.150 42.059 0.175 0.000 0.899 325 L HN 0.333 nan 8.230 nan 0.000 0.433 326 D N -1.158 119.277 120.400 0.058 0.000 2.103 326 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 326 D C 1.832 178.122 176.300 -0.018 0.000 0.978 326 D CA 0.973 54.987 54.000 0.024 0.000 0.829 326 D CB -0.051 40.757 40.800 0.014 0.000 0.981 326 D HN 0.200 nan 8.370 nan 0.000 0.464 327 D N -0.468 119.899 120.400 -0.055 0.000 2.133 327 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 327 D C 1.752 177.894 176.300 -0.263 0.000 0.997 327 D CA 0.921 54.822 54.000 -0.166 0.000 0.840 327 D CB -0.200 40.464 40.800 -0.226 0.000 0.947 327 D HN 0.236 nan 8.370 nan 0.000 0.452 328 F N 0.119 119.930 119.950 -0.233 0.000 2.219 328 F HA 0.166 4.693 4.527 -0.000 0.000 0.294 328 F C 1.561 177.209 175.800 -0.253 0.000 1.086 328 F CA 0.819 58.578 58.000 -0.402 0.000 1.330 328 F CB 0.030 38.389 39.000 -1.069 0.000 1.047 328 F HN -0.002 nan 8.300 nan 0.000 0.495 329 G N 0.766 109.584 108.800 0.030 0.000 2.778 329 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 329 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 329 G C -1.658 173.284 174.900 0.070 0.000 1.309 329 G CA -0.488 44.642 45.100 0.050 0.000 0.904 329 G HN 0.143 nan 8.290 nan 0.000 0.593 330 P HA -0.202 nan 4.420 nan 0.000 0.217 330 P C 0.728 178.015 177.300 -0.021 0.000 1.158 330 P CA 1.586 64.655 63.100 -0.051 0.000 0.887 330 P CB -0.248 31.303 31.700 -0.250 0.000 0.792 331 H N 0.065 119.203 119.070 0.114 0.000 2.679 331 H HA 0.193 4.749 4.556 -0.000 0.000 0.369 331 H C 0.687 176.092 175.328 0.127 0.000 1.178 331 H CA -0.242 55.863 56.048 0.096 0.000 1.419 331 H CB 0.009 29.813 29.762 0.070 0.000 1.458 331 H HN 0.003 nan 8.280 nan 0.000 0.605 332 R N 0.316 120.949 120.500 0.221 0.000 3.038 332 R HA -0.254 4.086 4.340 -0.000 0.000 0.242 332 R C -1.389 175.042 176.300 0.218 0.000 0.866 332 R CA 0.652 56.851 56.100 0.166 0.000 0.601 332 R CB -1.540 28.849 30.300 0.149 0.000 1.107 332 R HN 0.509 nan 8.270 nan 0.000 0.492 333 Y N -0.054 120.236 120.300 -0.018 0.000 2.424 333 Y HA 0.477 5.027 4.550 -0.000 0.000 0.323 333 Y C -1.389 174.453 175.900 -0.096 0.000 1.174 333 Y CA -1.528 56.521 58.100 -0.085 0.000 1.060 333 Y CB 1.305 39.715 38.460 -0.083 0.000 1.314 333 Y HN 0.117 nan 8.280 nan 0.000 0.439 334 I N 5.822 126.002 120.570 -0.650 0.000 2.411 334 I HA 0.669 4.839 4.170 -0.000 0.000 0.284 334 I C 0.094 175.693 176.117 -0.864 0.000 1.012 334 I CA -0.806 60.150 61.300 -0.575 0.000 1.119 334 I CB 1.627 39.593 38.000 -0.057 0.000 1.261 334 I HN 0.839 nan 8.210 nan 0.000 0.448 335 A N 5.588 127.888 122.820 -0.866 0.000 2.483 335 A HA 0.494 4.814 4.320 -0.000 0.000 0.238 335 A C -0.022 177.429 177.584 -0.222 0.000 1.070 335 A CA 0.331 52.073 52.037 -0.492 0.000 0.770 335 A CB 0.273 19.101 19.000 -0.287 0.000 1.008 335 A HN 0.767 nan 8.150 nan 0.000 0.497 336 N N -0.188 118.464 118.700 -0.079 0.000 3.185 336 N HA 0.280 5.020 4.740 -0.000 0.000 0.238 336 N C -1.484 173.943 175.510 -0.138 0.000 1.451 336 N CA -0.608 52.325 53.050 -0.195 0.000 0.888 336 N CB 0.634 38.808 38.487 -0.522 0.000 1.413 336 N HN 0.491 nan 8.380 nan 0.000 0.511 337 L N 0.845 121.857 121.223 -0.351 0.000 2.397 337 L HA 0.359 4.698 4.340 -0.000 0.000 0.271 337 L C 1.986 178.755 176.870 -0.168 0.000 1.148 337 L CA -0.246 54.378 54.840 -0.361 0.000 0.825 337 L CB 0.561 42.299 42.059 -0.535 0.000 1.117 337 L HN 0.812 nan 8.230 nan 0.000 0.456 338 G N 0.411 109.263 108.800 0.086 0.000 2.586 338 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.215 338 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.215 338 G C 0.426 175.634 174.900 0.514 0.000 1.128 338 G CA 0.446 45.764 45.100 0.363 0.000 0.774 338 G HN 0.792 nan 8.290 nan 0.000 0.543 339 H N -2.351 116.830 119.070 0.184 0.000 2.981 339 H HA 0.439 4.995 4.556 -0.000 0.000 0.327 339 H C 0.247 175.491 175.328 -0.140 0.000 1.342 339 H CA -0.818 55.331 56.048 0.169 0.000 1.123 339 H CB 1.185 31.205 29.762 0.429 0.000 1.851 339 H HN 0.101 nan 8.280 nan 0.000 0.531 340 G N 1.329 109.911 108.800 -0.364 0.000 2.614 340 G HA2 0.257 4.217 3.960 -0.000 0.000 0.239 340 G HA3 0.257 4.217 3.960 -0.000 0.000 0.239 340 G C 0.026 174.522 174.900 -0.673 0.000 1.240 340 G CA -0.496 44.305 45.100 -0.499 0.000 0.842 340 G HN 0.475 nan 8.290 nan 0.000 0.584 341 L N -0.241 120.612 121.223 -0.616 0.000 2.472 341 L HA 0.111 4.451 4.340 -0.000 0.000 0.273 341 L C 0.101 176.689 176.870 -0.470 0.000 1.254 341 L CA 0.277 54.684 54.840 -0.721 0.000 0.823 341 L CB 0.221 41.790 42.059 -0.817 0.000 1.096 341 L HN 0.494 nan 8.230 nan 0.000 0.521 342 Y N -0.087 120.033 120.300 -0.299 0.000 2.496 342 Y HA 0.253 4.803 4.550 -0.000 0.000 0.331 342 Y C -1.523 174.346 175.900 -0.051 0.000 1.140 342 Y CA -2.111 55.907 58.100 -0.136 0.000 1.166 342 Y CB 0.868 39.294 38.460 -0.057 0.000 1.249 342 Y HN 0.419 nan 8.280 nan 0.000 0.479 343 P HA -0.074 nan 4.420 nan 0.000 0.241 343 P C 0.040 177.440 177.300 0.166 0.000 1.191 343 P CA 1.096 64.287 63.100 0.152 0.000 0.771 343 P CB 0.238 32.003 31.700 0.108 0.000 0.929 344 D N -2.295 118.220 120.400 0.192 0.000 2.462 344 D HA 0.087 4.727 4.640 -0.000 0.000 0.221 344 D C 0.255 176.690 176.300 0.225 0.000 1.173 344 D CA -0.023 54.091 54.000 0.189 0.000 0.831 344 D CB -0.135 40.767 40.800 0.171 0.000 1.001 344 D HN 0.147 nan 8.370 nan 0.000 0.499 345 M N 0.931 120.638 119.600 0.179 0.000 2.277 345 M HA 0.131 4.611 4.480 -0.000 0.000 0.350 345 M C -0.182 176.216 176.300 0.163 0.000 1.180 345 M CA -0.586 54.758 55.300 0.074 0.000 1.103 345 M CB 1.516 33.993 32.600 -0.204 0.000 1.577 345 M HN -0.251 nan 8.290 nan 0.000 0.459 346 D N 4.040 124.541 120.400 0.169 0.000 2.338 346 D HA 0.145 4.784 4.640 -0.000 0.000 0.255 346 D C -1.809 174.636 176.300 0.241 0.000 1.237 346 D CA -1.842 52.310 54.000 0.254 0.000 0.883 346 D CB 1.111 42.169 40.800 0.430 0.000 1.087 346 D HN 0.207 nan 8.370 nan 0.000 0.485 347 P HA -0.194 nan 4.420 nan 0.000 0.218 347 P C 0.939 178.413 177.300 0.290 0.000 1.150 347 P CA 1.055 64.374 63.100 0.366 0.000 0.841 347 P CB 0.410 32.287 31.700 0.294 0.000 0.784 348 E N -1.605 118.668 120.200 0.121 0.000 2.051 348 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 348 E C 2.025 178.574 176.600 -0.085 0.000 0.991 348 E CA 1.277 57.663 56.400 -0.024 0.000 0.799 348 E CB -0.854 28.728 29.700 -0.198 0.000 0.748 348 E HN 0.477 nan 8.360 nan 0.000 0.449 349 H N -0.818 118.278 119.070 0.044 0.000 2.462 349 H HA 0.016 4.572 4.556 -0.000 0.000 0.292 349 H C 2.129 177.413 175.328 -0.073 0.000 1.049 349 H CA 1.098 57.135 56.048 -0.018 0.000 1.334 349 H CB -0.058 29.666 29.762 -0.064 0.000 1.404 349 H HN 0.045 nan 8.280 nan 0.000 0.544 350 V N 0.652 120.545 119.914 -0.034 0.000 2.392 350 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 350 V C 2.710 178.632 176.094 -0.287 0.000 1.059 350 V CA 1.919 64.060 62.300 -0.265 0.000 1.051 350 V CB -0.970 30.559 31.823 -0.490 0.000 0.658 350 V HN 0.515 nan 8.190 nan 0.000 0.455 351 G N -0.826 107.897 108.800 -0.127 0.000 2.430 351 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.216 351 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.216 351 G C 1.747 176.668 174.900 0.037 0.000 1.146 351 G CA 0.813 45.949 45.100 0.059 0.000 0.793 351 G HN 0.583 nan 8.290 nan 0.000 0.537 352 A N 0.893 123.738 122.820 0.042 0.000 1.883 352 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 352 A C 2.103 179.720 177.584 0.055 0.000 1.186 352 A CA 1.646 53.712 52.037 0.049 0.000 0.624 352 A CB -0.629 18.412 19.000 0.068 0.000 0.822 352 A HN 0.420 nan 8.150 nan 0.000 0.444 353 F N 1.148 121.043 119.950 -0.091 0.000 2.025 353 F HA -0.222 4.305 4.527 -0.000 0.000 0.297 353 F C 2.247 177.961 175.800 -0.144 0.000 1.132 353 F CA 2.239 60.164 58.000 -0.126 0.000 1.191 353 F CB -0.888 37.995 39.000 -0.194 0.000 0.963 353 F HN 0.034 nan 8.300 nan 0.000 0.481 354 V N 1.261 120.901 119.914 -0.457 0.000 2.231 354 V HA -0.391 3.729 4.120 -0.000 0.000 0.250 354 V C 2.317 178.140 176.094 -0.452 0.000 1.058 354 V CA 2.381 64.337 62.300 -0.574 0.000 1.022 354 V CB -0.961 30.677 31.823 -0.309 0.000 0.640 354 V HN 0.375 nan 8.190 nan 0.000 0.445 355 D N 0.349 120.639 120.400 -0.183 0.000 2.133 355 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 355 D C 2.183 178.452 176.300 -0.051 0.000 0.997 355 D CA 1.886 55.845 54.000 -0.069 0.000 0.840 355 D CB -0.359 40.444 40.800 0.006 0.000 0.947 355 D HN 0.502 nan 8.370 nan 0.000 0.452 356 A N 0.668 123.462 122.820 -0.043 0.000 1.930 356 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 356 A C 2.574 180.197 177.584 0.065 0.000 1.175 356 A CA 0.964 53.063 52.037 0.103 0.000 0.627 356 A CB -0.593 18.467 19.000 0.100 0.000 0.815 356 A HN 0.137 nan 8.150 nan 0.000 0.443 357 V N -0.091 119.714 119.914 -0.182 0.000 2.233 357 V HA -0.348 3.772 4.120 -0.000 0.000 0.247 357 V C 2.302 178.411 176.094 0.024 0.000 1.050 357 V CA 2.464 64.660 62.300 -0.173 0.000 1.010 357 V CB -1.374 30.172 31.823 -0.462 0.000 0.637 357 V HN 0.748 nan 8.190 nan 0.000 0.444 358 H N -0.336 118.717 119.070 -0.028 0.000 2.293 358 H HA -0.127 4.429 4.556 -0.000 0.000 0.300 358 H C 2.484 177.793 175.328 -0.033 0.000 1.082 358 H CA 1.318 57.349 56.048 -0.029 0.000 1.308 358 H CB -0.066 29.620 29.762 -0.126 0.000 1.375 358 H HN 0.212 nan 8.280 nan 0.000 0.495 359 K N 0.746 121.193 120.400 0.078 0.000 1.990 359 K HA -0.217 4.103 4.320 -0.000 0.000 0.225 359 K C 1.979 178.525 176.600 -0.089 0.000 1.053 359 K CA 1.948 58.203 56.287 -0.053 0.000 0.982 359 K CB -0.775 31.654 32.500 -0.118 0.000 0.734 359 K HN 0.512 nan 8.250 nan 0.000 0.448 360 H N -0.047 119.047 119.070 0.041 0.000 2.555 360 H HA 0.016 4.572 4.556 -0.000 0.000 0.269 360 H C 2.114 177.483 175.328 0.068 0.000 0.988 360 H CA 1.018 57.095 56.048 0.048 0.000 1.178 360 H CB 0.124 29.913 29.762 0.044 0.000 1.373 360 H HN 0.327 nan 8.280 nan 0.000 0.588 361 S N 0.533 116.346 115.700 0.187 0.000 2.377 361 S HA -0.096 4.374 4.470 -0.000 0.000 0.223 361 S C 1.912 176.592 174.600 0.134 0.000 1.030 361 S CA 0.351 58.655 58.200 0.172 0.000 0.970 361 S CB 0.042 63.366 63.200 0.208 0.000 0.830 361 S HN 0.367 nan 8.310 nan 0.000 0.473 362 R N 0.635 121.206 120.500 0.119 0.000 2.115 362 R HA 0.207 4.547 4.340 -0.000 0.000 0.226 362 R C 2.201 178.528 176.300 0.045 0.000 1.100 362 R CA 0.876 57.024 56.100 0.080 0.000 0.980 362 R CB -0.655 29.672 30.300 0.045 0.000 0.875 362 R HN 0.282 nan 8.270 nan 0.000 0.445 363 L N 1.254 122.496 121.223 0.033 0.000 2.027 363 L HA -0.099 4.241 4.340 -0.000 0.000 0.206 363 L C 2.202 179.105 176.870 0.055 0.000 1.074 363 L CA 1.332 56.186 54.840 0.023 0.000 0.745 363 L CB -0.374 41.676 42.059 -0.015 0.000 0.898 363 L HN 0.179 nan 8.230 nan 0.000 0.433 364 L N -0.307 120.966 121.223 0.083 0.000 2.043 364 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 364 L C 1.288 178.186 176.870 0.047 0.000 1.075 364 L CA 1.276 56.160 54.840 0.074 0.000 0.752 364 L CB -0.142 41.969 42.059 0.088 0.000 0.891 364 L HN 0.170 nan 8.230 nan 0.000 0.432 365 R N 1.220 121.746 120.500 0.043 0.000 4.154 365 R HA 0.029 4.369 4.340 -0.000 0.000 0.186 365 R C 0.032 176.350 176.300 0.030 0.000 1.750 365 R CA -0.374 55.743 56.100 0.029 0.000 1.431 365 R CB -0.306 30.013 30.300 0.032 0.000 1.383 365 R HN 0.470 nan 8.270 nan 0.000 0.788 366 Q N 0.000 119.817 119.800 0.028 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.818 55.803 0.024 0.000 1.022 366 Q CB 0.000 28.752 28.738 0.023 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481