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 3o96_1_A DATA FIRST_RESID 2 DATA SEQUENCE SDVAIVKEGW LHKRGEYIKT WRPRYFLLKN DGTFIGYKER PQDVXXXEAP DATA SEQUENCE LNNFSVAQCQ LMKTERPRPN TFIIRCLQWT TVIERTFXXX TPEEREEWTT DATA SEQUENCE AIQTVADGLK KQXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXVTMNEFE DATA SEQUENCE YLKLLGKGTF GKVILVKEKA TGRYYAMKIL KKEVIVAXXX XXXXXXXNRV DATA SEQUENCE LQNSRHPFLT ALKYSFQTHD RLCFVMEYAN GGELFFHLSR ERVFSEDRAR DATA SEQUENCE FYGAEIVSAL DYLHSEKNVV YRDLKLENLM LDKDGHIKIT DFGLCKEXXX DATA SEQUENCE XXXXXXXXXX XPEYLAPEVL EDNDYGRAVD WWGLGVVMYE MMCGRLPFYN DATA SEQUENCE QDHEKLFELI LMEEIRFPRT LGPEAKSLLS GLLKKDPKQR LGGGSEDAKE DATA SEQUENCE IMQHRFFAGI VWQHVYEKKL SPPFKPQV 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.610 174.600 0.016 0.000 1.055 2 S CA 0.000 58.209 58.200 0.015 0.000 1.107 2 S CB 0.000 63.211 63.200 0.018 0.000 0.593 3 D N 2.207 122.616 120.400 0.015 0.000 2.340 3 D HA 0.766 5.416 4.640 0.016 0.000 0.243 3 D C 0.093 176.404 176.300 0.019 0.000 0.988 3 D CA -0.715 53.294 54.000 0.016 0.000 0.959 3 D CB 1.504 42.311 40.800 0.012 0.000 1.226 3 D HN 0.927 nan 8.370 nan 0.000 0.509 4 V N -4.103 115.824 119.914 0.021 0.000 3.087 4 V HA 0.941 5.070 4.120 0.016 0.000 0.306 4 V C -0.830 175.279 176.094 0.025 0.000 1.187 4 V CA -0.931 61.385 62.300 0.026 0.000 0.999 4 V CB 1.015 32.859 31.823 0.035 0.000 1.049 4 V HN 1.087 nan 8.190 nan 0.000 0.431 5 A N 2.624 125.460 122.820 0.025 0.000 2.387 5 A HA 0.965 5.295 4.320 0.016 0.000 0.298 5 A C -0.823 176.780 177.584 0.030 0.000 1.165 5 A CA -0.908 51.142 52.037 0.022 0.000 0.814 5 A CB 1.257 20.264 19.000 0.013 0.000 1.357 5 A HN 0.956 nan 8.150 nan 0.000 0.443 6 I N 1.147 121.732 120.570 0.026 0.000 2.363 6 I HA 0.139 4.319 4.170 0.016 0.000 0.292 6 I C 1.227 177.350 176.117 0.011 0.000 1.075 6 I CA 0.406 61.725 61.300 0.032 0.000 1.333 6 I CB 0.959 38.979 38.000 0.032 0.000 1.415 6 I HN 0.352 nan 8.210 nan 0.000 0.502 7 V N 5.169 125.097 119.914 0.024 0.000 2.515 7 V HA -0.065 4.065 4.120 0.016 0.000 0.250 7 V C 0.890 176.934 176.094 -0.083 0.000 1.058 7 V CA 1.198 63.493 62.300 -0.007 0.000 1.064 7 V CB -0.816 31.026 31.823 0.031 0.000 0.675 7 V HN 0.831 nan 8.190 nan 0.000 0.461 8 K N -0.243 120.098 120.400 -0.098 0.000 2.653 8 K HA 0.364 4.694 4.320 0.016 0.000 0.274 8 K C -1.774 174.682 176.600 -0.240 0.000 0.974 8 K CA -0.583 55.515 56.287 -0.315 0.000 0.868 8 K CB 1.636 33.744 32.500 -0.655 0.000 1.408 8 K HN 0.415 nan 8.250 nan 0.000 0.397 9 E N 1.292 121.319 120.200 -0.288 0.000 2.437 9 E HA 0.787 5.147 4.350 0.016 0.000 0.280 9 E C -0.591 175.934 176.600 -0.126 0.000 1.044 9 E CA -1.130 55.226 56.400 -0.072 0.000 0.826 9 E CB 2.040 31.720 29.700 -0.033 0.000 1.358 9 E HN 0.817 nan 8.360 nan 0.000 0.459 10 G N -0.358 108.180 108.800 -0.437 0.000 2.341 10 G HA2 0.210 4.179 3.960 0.016 0.000 0.293 10 G HA3 0.210 4.179 3.960 0.016 0.000 0.293 10 G C -2.074 172.556 174.900 -0.450 0.000 1.298 10 G CA -1.051 43.865 45.100 -0.305 0.000 0.868 10 G HN 0.395 nan 8.290 nan 0.000 0.540 11 W N -0.052 121.304 121.300 0.093 0.000 2.261 11 W HA 0.723 5.393 4.660 0.018 0.000 0.323 11 W C 0.531 177.159 176.519 0.182 0.000 1.243 11 W CA -0.239 57.218 57.345 0.188 0.000 1.210 11 W CB 1.061 30.667 29.460 0.243 0.000 1.149 11 W HN 0.332 nan 8.180 nan 0.000 0.562 12 L N 2.559 124.058 121.223 0.460 0.000 2.393 12 L HA 0.322 4.671 4.340 0.016 0.000 0.260 12 L C -0.486 176.611 176.870 0.378 0.000 1.002 12 L CA -1.180 53.841 54.840 0.302 0.000 0.818 12 L CB 2.277 44.289 42.059 -0.078 0.000 1.369 12 L HN 0.318 nan 8.230 nan 0.000 0.412 13 H N 2.784 122.038 119.070 0.306 0.000 2.741 13 H HA 0.195 4.761 4.556 0.016 0.000 0.282 13 H C -0.611 175.020 175.328 0.504 0.000 1.122 13 H CA -0.204 56.070 56.048 0.377 0.000 1.293 13 H CB 1.486 31.392 29.762 0.240 0.000 1.415 13 H HN 0.309 nan 8.280 nan 0.000 0.472 14 K N 3.441 124.137 120.400 0.495 0.000 2.172 14 K HA 0.191 4.520 4.320 0.016 0.000 0.276 14 K C -0.033 176.689 176.600 0.203 0.000 1.013 14 K CA -0.718 55.803 56.287 0.390 0.000 0.913 14 K CB 1.217 33.957 32.500 0.400 0.000 1.055 14 K HN 0.432 nan 8.250 nan 0.000 0.461 15 R N 2.611 123.060 120.500 -0.085 0.000 2.294 15 R HA 0.229 4.579 4.340 0.016 0.000 0.319 15 R C -0.421 175.664 176.300 -0.358 0.000 0.984 15 R CA -0.364 55.440 56.100 -0.494 0.000 0.861 15 R CB 1.210 30.924 30.300 -0.977 0.000 1.104 15 R HN 0.908 nan 8.270 nan 0.000 0.451 16 G N 2.606 111.208 108.800 -0.331 0.000 2.380 16 G HA2 -0.028 3.942 3.960 0.016 0.000 0.242 16 G HA3 -0.028 3.942 3.960 0.016 0.000 0.242 16 G C 0.277 175.003 174.900 -0.291 0.000 1.298 16 G CA -0.254 44.700 45.100 -0.243 0.000 0.878 16 G HN 0.736 nan 8.290 nan 0.000 0.542 17 E N 1.163 121.203 120.200 -0.267 0.000 2.086 17 E HA 0.008 4.368 4.350 0.016 0.000 0.190 17 E C 1.056 177.311 176.600 -0.574 0.000 0.975 17 E CA 1.078 57.224 56.400 -0.425 0.000 0.813 17 E CB 0.103 29.534 29.700 -0.449 0.000 0.768 17 E HN 0.741 nan 8.360 nan 0.000 0.457 18 Y N -0.649 119.516 120.300 -0.226 0.000 2.462 18 Y HA 0.338 4.897 4.550 0.015 0.000 0.253 18 Y C 0.404 176.118 175.900 -0.311 0.000 1.095 18 Y CA -0.057 57.904 58.100 -0.231 0.000 1.283 18 Y CB 1.000 39.294 38.460 -0.276 0.000 1.138 18 Y HN -0.145 nan 8.280 nan 0.000 0.522 19 I N 1.152 121.583 120.570 -0.232 0.000 2.466 19 I HA 0.208 4.388 4.170 0.016 0.000 0.279 19 I C -0.164 175.838 176.117 -0.191 0.000 1.033 19 I CA -0.502 60.674 61.300 -0.206 0.000 1.123 19 I CB 1.334 39.173 38.000 -0.269 0.000 1.237 19 I HN -0.110 nan 8.210 nan 0.000 0.460 20 K N 3.630 123.919 120.400 -0.185 0.000 3.165 20 K HA 0.091 4.421 4.320 0.016 0.000 0.270 20 K C 0.706 177.117 176.600 -0.316 0.000 1.111 20 K CA -0.049 56.068 56.287 -0.283 0.000 1.216 20 K CB -0.036 32.305 32.500 -0.264 0.000 1.229 20 K HN 0.567 nan 8.250 nan 0.000 0.435 21 T N -0.717 113.701 114.554 -0.226 0.000 2.754 21 T HA 0.132 4.491 4.350 0.016 0.000 0.286 21 T C -0.513 174.035 174.700 -0.253 0.000 0.997 21 T CA -0.343 61.665 62.100 -0.153 0.000 0.982 21 T CB 0.494 69.344 68.868 -0.031 0.000 1.027 21 T HN 0.256 nan 8.240 nan 0.000 0.529 22 W N 1.819 123.163 121.300 0.074 0.000 2.390 22 W HA 0.616 5.286 4.660 0.016 0.000 0.312 22 W C 0.492 177.095 176.519 0.141 0.000 1.123 22 W CA -0.852 56.585 57.345 0.153 0.000 1.202 22 W CB 0.969 30.570 29.460 0.234 0.000 1.251 22 W HN 0.498 nan 8.180 nan 0.000 0.511 23 R N 3.588 124.290 120.500 0.338 0.000 2.628 23 R HA 0.380 4.730 4.340 0.016 0.000 0.288 23 R C -2.587 173.686 176.300 -0.046 0.000 0.980 23 R CA -1.981 54.187 56.100 0.113 0.000 0.891 23 R CB 1.975 32.329 30.300 0.090 0.000 1.188 23 R HN 0.114 nan 8.270 nan 0.000 0.450 24 P HA 0.194 nan 4.420 nan 0.000 0.281 24 P C -1.036 176.501 177.300 0.394 0.000 1.286 24 P CA -0.332 62.762 63.100 -0.011 0.000 0.772 24 P CB 0.938 32.567 31.700 -0.118 0.000 0.862 25 R N 3.024 123.804 120.500 0.467 0.000 2.621 25 R HA 0.318 4.668 4.340 0.016 0.000 0.284 25 R C -1.024 175.311 176.300 0.057 0.000 0.998 25 R CA -0.990 55.249 56.100 0.231 0.000 0.895 25 R CB 1.365 31.712 30.300 0.077 0.000 1.195 25 R HN 0.477 nan 8.270 nan 0.000 0.450 26 Y N 2.558 122.501 120.300 -0.595 0.000 2.383 26 Y HA 0.354 4.913 4.550 0.015 0.000 0.344 26 Y C -0.804 174.799 175.900 -0.494 0.000 0.986 26 Y CA -0.164 57.509 58.100 -0.712 0.000 1.175 26 Y CB 0.388 38.193 38.460 -1.092 0.000 1.152 26 Y HN 0.427 nan 8.280 nan 0.000 0.511 27 F N 5.882 125.448 119.950 -0.641 0.000 2.440 27 F HA 0.662 5.198 4.527 0.014 0.000 0.328 27 F C -0.756 174.809 175.800 -0.391 0.000 1.070 27 F CA -0.938 56.712 58.000 -0.584 0.000 1.011 27 F CB 1.599 40.102 39.000 -0.829 0.000 1.226 27 F HN 0.362 nan 8.300 nan 0.000 0.491 28 L N 1.882 123.029 121.223 -0.128 0.000 2.505 28 L HA 0.676 5.025 4.340 0.016 0.000 0.266 28 L C -1.837 175.090 176.870 0.094 0.000 0.954 28 L CA -1.009 53.867 54.840 0.060 0.000 0.852 28 L CB 1.798 43.905 42.059 0.081 0.000 1.282 28 L HN 0.470 nan 8.230 nan 0.000 0.403 29 L N 2.804 124.200 121.223 0.287 0.000 2.287 29 L HA 0.666 5.015 4.340 0.016 0.000 0.287 29 L C -0.446 176.545 176.870 0.201 0.000 1.022 29 L CA 0.162 55.219 54.840 0.362 0.000 0.814 29 L CB 1.157 43.556 42.059 0.567 0.000 1.217 29 L HN 0.640 nan 8.230 nan 0.000 0.420 30 K N 2.572 123.071 120.400 0.165 0.000 2.185 30 K HA 0.460 4.789 4.320 0.016 0.000 0.240 30 K C 0.320 176.983 176.600 0.105 0.000 0.983 30 K CA -0.495 55.858 56.287 0.110 0.000 0.873 30 K CB 0.859 33.411 32.500 0.088 0.000 1.118 30 K HN 0.586 nan 8.250 nan 0.000 0.441 31 N N 1.790 120.535 118.700 0.075 0.000 2.375 31 N HA -0.072 4.677 4.740 0.016 0.000 0.220 31 N C -0.515 175.031 175.510 0.060 0.000 1.170 31 N CA 0.216 53.304 53.050 0.064 0.000 0.833 31 N CB 0.081 38.595 38.487 0.045 0.000 1.069 31 N HN 0.601 nan 8.380 nan 0.000 0.479 32 D N -0.731 119.710 120.400 0.069 0.000 2.360 32 D HA 0.091 4.741 4.640 0.016 0.000 0.210 32 D C 1.285 177.631 176.300 0.078 0.000 1.047 32 D CA 0.586 54.625 54.000 0.065 0.000 0.854 32 D CB 0.094 40.931 40.800 0.061 0.000 0.936 32 D HN 0.285 nan 8.370 nan 0.000 0.514 33 G N -0.108 108.751 108.800 0.098 0.000 2.253 33 G HA2 -0.232 3.737 3.960 0.016 0.000 0.209 33 G HA3 -0.232 3.737 3.960 0.016 0.000 0.209 33 G C 0.421 175.419 174.900 0.164 0.000 0.997 33 G CA 0.056 45.224 45.100 0.115 0.000 0.640 33 G HN 0.368 nan 8.290 nan 0.000 0.496 34 T N 1.547 116.196 114.554 0.159 0.000 2.831 34 T HA 0.374 4.734 4.350 0.016 0.000 0.291 34 T C -0.768 174.094 174.700 0.269 0.000 0.981 34 T CA 0.768 62.980 62.100 0.187 0.000 1.174 34 T CB 0.224 69.168 68.868 0.126 0.000 0.929 34 T HN 0.460 nan 8.240 nan 0.000 0.532 35 F N 6.021 126.047 119.950 0.127 0.000 2.500 35 F HA 0.605 5.141 4.527 0.013 0.000 0.349 35 F C -0.843 175.013 175.800 0.093 0.000 1.127 35 F CA -1.248 56.833 58.000 0.136 0.000 0.998 35 F CB 0.576 39.664 39.000 0.146 0.000 1.237 35 F HN 0.392 nan 8.300 nan 0.000 0.439 36 I N 4.654 124.974 120.570 -0.416 0.000 2.582 36 I HA 0.551 4.731 4.170 0.016 0.000 0.292 36 I C 0.074 175.497 176.117 -1.158 0.000 1.066 36 I CA -1.009 59.850 61.300 -0.734 0.000 1.053 36 I CB 2.209 39.725 38.000 -0.806 0.000 1.241 36 I HN 0.666 nan 8.210 nan 0.000 0.421 37 G N 4.359 112.251 108.800 -1.513 0.000 2.388 37 G HA2 0.670 4.640 3.960 0.016 0.000 0.330 37 G HA3 0.670 4.640 3.960 0.016 0.000 0.330 37 G C -1.673 172.435 174.900 -1.319 0.000 1.142 37 G CA -0.166 43.678 45.100 -2.093 0.000 0.908 37 G HN 0.356 nan 8.290 nan 0.000 0.473 38 Y N -0.251 119.631 120.300 -0.697 0.000 2.598 38 Y HA 0.361 4.920 4.550 0.015 0.000 0.340 38 Y C 1.530 177.259 175.900 -0.285 0.000 1.038 38 Y CA -1.065 56.787 58.100 -0.413 0.000 1.100 38 Y CB 2.431 40.694 38.460 -0.329 0.000 1.281 38 Y HN 0.538 nan 8.280 nan 0.000 0.488 39 K N 0.549 120.961 120.400 0.020 0.000 2.209 39 K HA -0.099 4.231 4.320 0.016 0.000 0.204 39 K C -0.515 176.129 176.600 0.073 0.000 1.048 39 K CA 1.577 57.883 56.287 0.032 0.000 0.940 39 K CB 0.072 32.588 32.500 0.027 0.000 0.729 39 K HN 0.736 nan 8.250 nan 0.000 0.451 40 E N -1.222 118.965 120.200 -0.022 0.000 2.403 40 E HA 0.218 4.578 4.350 0.016 0.000 0.280 40 E C -1.183 175.245 176.600 -0.286 0.000 1.101 40 E CA -1.137 55.230 56.400 -0.056 0.000 0.856 40 E CB 0.506 30.254 29.700 0.080 0.000 1.303 40 E HN -0.257 nan 8.360 nan 0.000 0.441 41 R N 2.319 122.548 120.500 -0.450 0.000 2.770 41 R HA 0.081 4.430 4.340 0.016 0.000 0.361 41 R C -1.845 174.176 176.300 -0.464 0.000 0.860 41 R CA -0.502 55.138 56.100 -0.767 0.000 1.071 41 R CB -0.619 29.276 30.300 -0.676 0.000 0.907 41 R HN 0.466 nan 8.270 nan 0.000 0.403 42 P HA 0.043 nan 4.420 nan 0.000 0.274 42 P C -0.235 176.893 177.300 -0.287 0.000 1.256 42 P CA -0.205 62.659 63.100 -0.393 0.000 0.795 42 P CB 0.677 32.020 31.700 -0.596 0.000 1.038 43 Q N 0.799 120.455 119.800 -0.240 0.000 2.377 43 Q HA -0.024 4.326 4.340 0.016 0.000 0.193 43 Q C 1.510 177.430 176.000 -0.134 0.000 0.986 43 Q CA 1.163 56.868 55.803 -0.164 0.000 0.851 43 Q CB -1.373 27.286 28.738 -0.132 0.000 0.986 43 Q HN 0.483 nan 8.270 nan 0.000 0.559 44 D N 0.683 121.006 120.400 -0.129 0.000 2.348 44 D HA 0.040 4.690 4.640 0.016 0.000 0.216 44 D C 0.078 176.325 176.300 -0.089 0.000 0.970 44 D CA 0.267 54.211 54.000 -0.094 0.000 0.889 44 D CB 0.280 41.032 40.800 -0.080 0.000 0.912 44 D HN 0.098 nan 8.370 nan 0.000 0.524 50 A N 4.209 127.044 122.820 0.024 0.000 2.412 50 A HA 0.678 5.008 4.320 0.016 0.000 0.334 50 A C -2.144 175.463 177.584 0.039 0.000 1.419 50 A CA -1.223 50.831 52.037 0.028 0.000 0.930 50 A CB -0.007 19.004 19.000 0.018 0.000 1.149 50 A HN 0.170 nan 8.150 nan 0.000 0.515 51 P HA 0.316 nan 4.420 nan 0.000 0.271 51 P C -0.354 176.997 177.300 0.086 0.000 1.233 51 P CA -0.270 62.894 63.100 0.107 0.000 0.789 51 P CB 0.408 32.189 31.700 0.134 0.000 0.951 52 L N 1.392 122.677 121.223 0.103 0.000 2.418 52 L HA 0.185 4.535 4.340 0.016 0.000 0.265 52 L C 1.556 178.366 176.870 -0.100 0.000 1.143 52 L CA -0.291 54.509 54.840 -0.067 0.000 0.809 52 L CB 0.048 41.972 42.059 -0.224 0.000 1.124 52 L HN 0.260 nan 8.230 nan 0.000 0.456 53 N N 0.745 119.378 118.700 -0.112 0.000 2.519 53 N HA -0.134 4.616 4.740 0.016 0.000 0.186 53 N C 1.138 176.564 175.510 -0.141 0.000 1.062 53 N CA 0.725 53.726 53.050 -0.081 0.000 0.910 53 N CB -0.292 38.157 38.487 -0.062 0.000 0.958 53 N HN 0.542 nan 8.380 nan 0.000 0.445 54 N N -0.460 118.038 118.700 -0.337 0.000 2.223 54 N HA -0.071 4.678 4.740 0.016 0.000 0.185 54 N C 0.207 175.484 175.510 -0.389 0.000 1.016 54 N CA 0.860 53.636 53.050 -0.456 0.000 0.863 54 N CB -0.146 37.880 38.487 -0.767 0.000 0.983 54 N HN 0.249 nan 8.380 nan 0.000 0.429 55 F N -0.249 119.705 119.950 0.006 0.000 2.645 55 F HA 0.332 4.870 4.527 0.018 0.000 0.300 55 F C 0.914 176.772 175.800 0.098 0.000 1.115 55 F CA -0.611 57.411 58.000 0.036 0.000 1.355 55 F CB -0.390 38.577 39.000 -0.055 0.000 1.026 55 F HN -0.213 nan 8.300 nan 0.000 0.536 56 S N 0.768 116.569 115.700 0.168 0.000 2.525 56 S HA 0.415 4.894 4.470 0.016 0.000 0.278 56 S C 0.521 175.200 174.600 0.131 0.000 1.234 56 S CA -0.630 57.659 58.200 0.148 0.000 1.058 56 S CB 1.146 64.398 63.200 0.087 0.000 0.983 56 S HN 0.118 nan 8.310 nan 0.000 0.495 57 V N 3.189 123.181 119.914 0.129 0.000 3.095 57 V HA 0.685 4.814 4.120 0.016 0.000 0.388 57 V C 0.548 176.674 176.094 0.052 0.000 1.286 57 V CA -0.396 61.948 62.300 0.074 0.000 1.406 57 V CB -1.021 30.819 31.823 0.028 0.000 1.363 57 V HN 0.827 nan 8.190 nan 0.000 0.532 58 A N 0.587 123.441 122.820 0.057 0.000 2.340 58 A HA 0.572 4.902 4.320 0.016 0.000 0.268 58 A C 0.820 178.426 177.584 0.038 0.000 1.100 58 A CA -0.111 51.955 52.037 0.048 0.000 0.803 58 A CB 0.152 19.184 19.000 0.054 0.000 1.043 58 A HN 0.841 nan 8.150 nan 0.000 0.488 59 Q N -1.147 118.672 119.800 0.032 0.000 2.451 59 Q HA -0.205 4.145 4.340 0.016 0.000 0.305 59 Q C -0.539 175.467 176.000 0.011 0.000 1.345 59 Q CA 0.643 56.460 55.803 0.024 0.000 0.854 59 Q CB -2.400 26.358 28.738 0.033 0.000 1.162 59 Q HN 0.745 nan 8.270 nan 0.000 0.440 60 C N -0.021 119.284 119.300 0.007 0.000 2.771 60 C HA 0.810 5.279 4.460 0.016 0.000 0.333 60 C C 0.257 175.243 174.990 -0.006 0.000 1.267 60 C CA -0.570 58.445 59.018 -0.005 0.000 1.721 60 C CB 1.813 29.550 27.740 -0.006 0.000 2.222 60 C HN 0.655 nan 8.230 nan 0.000 0.485 61 Q N 0.359 120.152 119.800 -0.011 0.000 2.435 61 Q HA 0.844 5.194 4.340 0.016 0.000 0.282 61 Q C -1.872 174.134 176.000 0.010 0.000 1.020 61 Q CA -0.624 55.179 55.803 -0.000 0.000 0.820 61 Q CB 0.983 29.717 28.738 -0.006 0.000 1.436 61 Q HN 0.429 nan 8.270 nan 0.000 0.395 62 L N 0.842 122.086 121.223 0.035 0.000 2.687 62 L HA 0.748 5.098 4.340 0.016 0.000 0.252 62 L C -0.081 176.833 176.870 0.074 0.000 1.115 62 L CA -0.777 54.109 54.840 0.077 0.000 0.893 62 L CB 1.501 43.643 42.059 0.138 0.000 1.670 62 L HN 0.874 nan 8.230 nan 0.000 0.531 63 M N 0.114 119.785 119.600 0.119 0.000 2.853 63 M HA 0.296 4.786 4.480 0.016 0.000 0.273 63 M C -1.914 174.474 176.300 0.146 0.000 1.128 63 M CA -0.605 54.753 55.300 0.097 0.000 0.814 63 M CB 2.421 35.058 32.600 0.062 0.000 1.667 63 M HN 0.512 nan 8.290 nan 0.000 0.519 64 K N 0.457 120.923 120.400 0.110 0.000 2.477 64 K HA 0.800 5.129 4.320 0.016 0.000 0.255 64 K C -1.523 175.129 176.600 0.088 0.000 0.952 64 K CA -0.254 56.106 56.287 0.123 0.000 0.826 64 K CB 2.646 35.204 32.500 0.095 0.000 1.331 64 K HN 0.755 nan 8.250 nan 0.000 0.437 65 T N 1.257 115.866 114.554 0.091 0.000 2.893 65 T HA 0.237 4.597 4.350 0.016 0.000 0.337 65 T C -1.211 173.527 174.700 0.064 0.000 1.587 65 T CA -0.452 61.689 62.100 0.068 0.000 1.066 65 T CB 1.421 70.328 68.868 0.065 0.000 1.414 65 T HN 0.618 nan 8.240 nan 0.000 0.488 66 E N 1.459 121.687 120.200 0.046 0.000 2.501 66 E HA 0.309 4.669 4.350 0.016 0.000 0.200 66 E C 0.086 176.708 176.600 0.036 0.000 1.016 66 E CA -0.085 56.334 56.400 0.031 0.000 0.921 66 E CB 0.373 30.084 29.700 0.019 0.000 1.034 66 E HN 0.247 nan 8.360 nan 0.000 0.468 67 R N 0.570 121.103 120.500 0.056 0.000 2.514 67 R HA 0.294 4.644 4.340 0.016 0.000 0.301 67 R C -1.884 174.492 176.300 0.126 0.000 0.962 67 R CA -1.908 54.236 56.100 0.073 0.000 0.882 67 R CB 0.654 30.988 30.300 0.056 0.000 1.143 67 R HN -0.087 nan 8.270 nan 0.000 0.452 68 P HA 0.018 nan 4.420 nan 0.000 0.233 68 P C -0.254 177.101 177.300 0.092 0.000 1.167 68 P CA 0.699 63.895 63.100 0.159 0.000 0.770 68 P CB 0.741 32.592 31.700 0.252 0.000 0.837 69 R N -0.164 120.361 120.500 0.042 0.000 2.854 69 R HA 0.334 4.683 4.340 0.016 0.000 0.271 69 R C -1.834 174.432 176.300 -0.057 0.000 0.994 69 R CA -2.092 53.959 56.100 -0.080 0.000 0.945 69 R CB 1.490 31.615 30.300 -0.292 0.000 1.194 69 R HN -0.210 nan 8.270 nan 0.000 0.476 70 P HA -0.139 nan 4.420 nan 0.000 0.219 70 P C -0.636 176.655 177.300 -0.015 0.000 1.150 70 P CA 1.246 64.328 63.100 -0.029 0.000 0.814 70 P CB -0.143 31.536 31.700 -0.035 0.000 0.787 71 N N -0.221 118.455 118.700 -0.040 0.000 2.527 71 N HA 0.346 5.095 4.740 0.016 0.000 0.236 71 N C -1.038 174.507 175.510 0.058 0.000 0.999 71 N CA -0.447 52.606 53.050 0.005 0.000 0.935 71 N CB 0.599 39.077 38.487 -0.016 0.000 1.132 71 N HN -0.272 nan 8.380 nan 0.000 0.511 72 T N 1.717 116.361 114.554 0.149 0.000 3.097 72 T HA 0.415 4.774 4.350 0.016 0.000 0.332 72 T C -1.370 173.550 174.700 0.366 0.000 1.269 72 T CA -0.740 61.510 62.100 0.250 0.000 1.076 72 T CB 0.609 69.571 68.868 0.156 0.000 1.209 72 T HN 0.472 nan 8.240 nan 0.000 0.474 73 F N 1.001 121.024 119.950 0.122 0.000 2.620 73 F HA 0.957 5.493 4.527 0.015 0.000 0.320 73 F C -1.544 174.344 175.800 0.148 0.000 1.069 73 F CA -2.011 56.056 58.000 0.112 0.000 0.953 73 F CB 0.899 39.949 39.000 0.084 0.000 1.322 73 F HN 0.451 nan 8.300 nan 0.000 0.479 74 I N 2.418 123.018 120.570 0.050 0.000 2.686 74 I HA 0.469 4.648 4.170 0.016 0.000 0.295 74 I C -1.032 175.071 176.117 -0.023 0.000 1.114 74 I CA -0.738 60.499 61.300 -0.105 0.000 1.038 74 I CB 2.465 40.425 38.000 -0.066 0.000 1.238 74 I HN 0.537 nan 8.210 nan 0.000 0.420 75 I N 5.031 125.560 120.570 -0.069 0.000 2.493 75 I HA 0.511 4.690 4.170 0.016 0.000 0.298 75 I C -0.317 175.770 176.117 -0.050 0.000 0.998 75 I CA -0.745 60.542 61.300 -0.022 0.000 1.137 75 I CB 1.658 39.658 38.000 -0.001 0.000 1.310 75 I HN 0.412 nan 8.210 nan 0.000 0.445 76 R N 4.807 125.276 120.500 -0.050 0.000 2.468 76 R HA 0.481 4.830 4.340 0.016 0.000 0.302 76 R C -1.519 174.737 176.300 -0.073 0.000 1.041 76 R CA -0.520 55.528 56.100 -0.086 0.000 0.899 76 R CB 1.715 31.925 30.300 -0.150 0.000 1.167 76 R HN 0.659 nan 8.270 nan 0.000 0.483 77 C N 2.880 122.149 119.300 -0.051 0.000 2.391 77 C HA 0.448 4.918 4.460 0.016 0.000 0.339 77 C C 0.217 175.187 174.990 -0.032 0.000 1.205 77 C CA -1.055 57.948 59.018 -0.025 0.000 1.937 77 C CB 0.765 28.509 27.740 0.006 0.000 2.341 77 C HN 0.656 nan 8.230 nan 0.000 0.516 78 L N 3.076 124.290 121.223 -0.014 0.000 2.315 78 L HA 0.284 4.634 4.340 0.016 0.000 0.278 78 L C 0.030 176.910 176.870 0.016 0.000 1.088 78 L CA 0.592 55.428 54.840 -0.006 0.000 0.899 78 L CB -0.310 41.760 42.059 0.019 0.000 1.277 78 L HN 0.704 nan 8.230 nan 0.000 0.431 79 Q N 4.984 124.797 119.800 0.022 0.000 2.314 79 Q HA 0.057 4.406 4.340 0.016 0.000 0.257 79 Q C 0.165 176.246 176.000 0.135 0.000 0.975 79 Q CA -0.186 55.658 55.803 0.069 0.000 0.933 79 Q CB 0.741 29.506 28.738 0.045 0.000 1.195 79 Q HN 0.832 nan 8.270 nan 0.000 0.426 80 W N 1.888 123.129 121.300 -0.099 0.000 2.236 80 W HA -0.444 4.227 4.660 0.019 0.000 0.308 80 W C 1.006 177.321 176.519 -0.340 0.000 1.844 80 W CA 2.495 59.751 57.345 -0.149 0.000 2.021 80 W CB -1.177 28.211 29.460 -0.120 0.000 0.931 80 W HN 0.658 nan 8.180 nan 0.000 0.455 81 T N -1.299 112.990 114.554 -0.441 0.000 3.084 81 T HA 0.344 4.704 4.350 0.016 0.000 0.270 81 T C 0.107 174.526 174.700 -0.469 0.000 1.008 81 T CA 0.707 62.193 62.100 -1.024 0.000 0.900 81 T CB 0.504 68.761 68.868 -1.018 0.000 1.084 81 T HN 0.136 nan 8.240 nan 0.000 0.538 82 T N 1.720 116.177 114.554 -0.162 0.000 2.918 82 T HA 0.647 5.007 4.350 0.016 0.000 0.286 82 T C -0.676 174.022 174.700 -0.003 0.000 1.026 82 T CA -0.532 61.551 62.100 -0.028 0.000 1.031 82 T CB 2.106 70.986 68.868 0.021 0.000 1.046 82 T HN 0.031 nan 8.240 nan 0.000 0.479 83 V N 3.864 123.807 119.914 0.049 0.000 2.347 83 V HA 0.475 4.605 4.120 0.016 0.000 0.280 83 V C 0.135 176.279 176.094 0.083 0.000 1.021 83 V CA -0.729 61.557 62.300 -0.023 0.000 0.847 83 V CB 0.411 32.077 31.823 -0.263 0.000 0.990 83 V HN 0.745 nan 8.190 nan 0.000 0.444 84 I N 2.809 123.399 120.570 0.033 0.000 2.607 84 I HA 0.959 5.139 4.170 0.016 0.000 0.305 84 I C -0.357 175.781 176.117 0.035 0.000 0.995 84 I CA -0.487 60.854 61.300 0.069 0.000 1.148 84 I CB 2.073 40.096 38.000 0.038 0.000 1.323 84 I HN 0.801 nan 8.210 nan 0.000 0.461 85 E N 4.218 124.446 120.200 0.046 0.000 2.366 85 E HA 0.625 4.984 4.350 0.016 0.000 0.278 85 E C -1.615 174.922 176.600 -0.104 0.000 0.923 85 E CA -1.145 55.243 56.400 -0.020 0.000 0.761 85 E CB 2.055 31.772 29.700 0.028 0.000 1.231 85 E HN 0.721 nan 8.360 nan 0.000 0.443 86 R N 0.946 121.310 120.500 -0.227 0.000 2.750 86 R HA 0.556 4.905 4.340 0.016 0.000 0.281 86 R C -1.103 174.716 176.300 -0.802 0.000 0.972 86 R CA -1.031 54.796 56.100 -0.456 0.000 0.912 86 R CB 2.627 32.666 30.300 -0.435 0.000 1.187 86 R HN 0.588 nan 8.270 nan 0.000 0.464 87 T N 2.834 116.901 114.554 -0.812 0.000 2.786 87 T HA 0.491 4.851 4.350 0.016 0.000 0.283 87 T C -0.711 173.596 174.700 -0.656 0.000 0.992 87 T CA -0.405 61.302 62.100 -0.656 0.000 0.954 87 T CB 0.395 69.073 68.868 -0.317 0.000 0.934 87 T HN 0.243 nan 8.240 nan 0.000 0.440 93 P HA 0.044 nan 4.420 nan 0.000 0.229 93 P C 0.894 178.191 177.300 -0.003 0.000 1.150 93 P CA 0.850 63.950 63.100 0.001 0.000 0.765 93 P CB 0.113 31.811 31.700 -0.004 0.000 0.783 94 E N -0.202 119.996 120.200 -0.003 0.000 2.112 94 E HA -0.119 4.240 4.350 0.016 0.000 0.190 94 E C 1.803 178.392 176.600 -0.019 0.000 0.979 94 E CA 0.905 57.298 56.400 -0.012 0.000 0.814 94 E CB -0.539 29.154 29.700 -0.012 0.000 0.762 94 E HN 0.387 nan 8.360 nan 0.000 0.460 95 E N 0.515 120.716 120.200 0.000 0.000 2.110 95 E HA -0.138 4.221 4.350 0.016 0.000 0.193 95 E C 1.884 178.485 176.600 0.001 0.000 0.988 95 E CA 0.661 57.068 56.400 0.012 0.000 0.804 95 E CB -0.102 29.659 29.700 0.101 0.000 0.745 95 E HN 0.035 nan 8.360 nan 0.000 0.458 96 R N 0.819 121.300 120.500 -0.032 0.000 2.341 96 R HA -0.109 4.240 4.340 0.016 0.000 0.213 96 R C 0.783 176.991 176.300 -0.152 0.000 1.082 96 R CA 0.741 56.751 56.100 -0.150 0.000 1.017 96 R CB 0.236 30.491 30.300 -0.075 0.000 0.860 96 R HN 0.041 nan 8.270 nan 0.000 0.473 97 E N -0.620 119.530 120.200 -0.084 0.000 2.624 97 E HA -0.002 4.358 4.350 0.016 0.000 0.210 97 E C 0.287 176.845 176.600 -0.069 0.000 0.997 97 E CA 0.091 56.450 56.400 -0.068 0.000 0.999 97 E CB 0.963 30.638 29.700 -0.042 0.000 1.040 97 E HN 0.423 nan 8.360 nan 0.000 0.469 98 E N -1.309 118.840 120.200 -0.085 0.000 2.475 98 E HA 0.007 4.366 4.350 0.016 0.000 0.205 98 E C 1.282 177.813 176.600 -0.115 0.000 0.822 98 E CA -0.189 56.145 56.400 -0.111 0.000 1.240 98 E CB -0.040 29.568 29.700 -0.153 0.000 1.222 98 E HN 0.095 nan 8.360 nan 0.000 0.581 99 W N 2.099 123.263 121.300 -0.227 0.000 2.315 99 W HA -0.232 4.436 4.660 0.014 0.000 0.323 99 W C 2.565 178.908 176.519 -0.294 0.000 1.233 99 W CA 2.510 59.686 57.345 -0.281 0.000 1.267 99 W CB -0.326 28.845 29.460 -0.482 0.000 1.160 99 W HN 0.220 nan 8.180 nan 0.000 0.474 100 T N -3.558 110.930 114.554 -0.111 0.000 3.098 100 T HA -0.089 4.270 4.350 0.016 0.000 0.266 100 T C 1.245 175.930 174.700 -0.024 0.000 1.145 100 T CA 1.571 63.615 62.100 -0.094 0.000 1.092 100 T CB -0.477 68.315 68.868 -0.127 0.000 0.908 100 T HN -0.003 nan 8.240 nan 0.000 0.526 101 T N 1.415 115.952 114.554 -0.028 0.000 2.901 101 T HA 0.352 4.711 4.350 0.016 0.000 0.252 101 T C 2.486 177.180 174.700 -0.011 0.000 1.035 101 T CA 0.731 62.816 62.100 -0.025 0.000 1.142 101 T CB -0.542 68.300 68.868 -0.045 0.000 0.869 101 T HN 0.553 nan 8.240 nan 0.000 0.442 102 A N 1.352 124.168 122.820 -0.007 0.000 1.872 102 A HA 0.079 4.409 4.320 0.016 0.000 0.214 102 A C 2.250 179.864 177.584 0.050 0.000 1.187 102 A CA 0.952 52.994 52.037 0.008 0.000 0.614 102 A CB -0.800 18.186 19.000 -0.023 0.000 0.826 102 A HN 0.471 nan 8.150 nan 0.000 0.442 103 I N -0.699 119.917 120.570 0.076 0.000 2.151 103 I HA -0.322 3.857 4.170 0.016 0.000 0.243 103 I C 2.790 178.913 176.117 0.010 0.000 1.080 103 I CA 1.976 63.291 61.300 0.025 0.000 1.339 103 I CB -0.316 37.642 38.000 -0.071 0.000 1.039 103 I HN 0.385 nan 8.210 nan 0.000 0.409 104 Q N 0.598 120.405 119.800 0.012 0.000 2.119 104 Q HA -0.146 4.204 4.340 0.016 0.000 0.201 104 Q C 2.100 178.108 176.000 0.014 0.000 0.972 104 Q CA 2.126 57.935 55.803 0.011 0.000 0.847 104 Q CB -0.279 28.466 28.738 0.011 0.000 0.903 104 Q HN 0.422 nan 8.270 nan 0.000 0.433 105 T N -0.447 114.116 114.554 0.014 0.000 2.622 105 T HA -0.151 4.209 4.350 0.016 0.000 0.266 105 T C 1.752 176.466 174.700 0.022 0.000 1.047 105 T CA 1.721 63.830 62.100 0.014 0.000 1.159 105 T CB -0.537 68.336 68.868 0.008 0.000 0.863 105 T HN 0.111 nan 8.240 nan 0.000 0.422 106 V N 1.685 121.619 119.914 0.033 0.000 2.407 106 V HA -0.166 3.963 4.120 0.016 0.000 0.248 106 V C 2.865 178.983 176.094 0.041 0.000 1.055 106 V CA 1.605 63.931 62.300 0.044 0.000 1.049 106 V CB -1.273 30.591 31.823 0.068 0.000 0.662 106 V HN 0.549 nan 8.190 nan 0.000 0.455 107 A N -0.024 122.817 122.820 0.034 0.000 1.883 107 A HA -0.264 4.066 4.320 0.016 0.000 0.217 107 A C 2.052 179.652 177.584 0.027 0.000 1.186 107 A CA 2.116 54.171 52.037 0.030 0.000 0.624 107 A CB -0.598 18.412 19.000 0.017 0.000 0.822 107 A HN 0.566 nan 8.150 nan 0.000 0.444 108 D N -0.665 119.749 120.400 0.022 0.000 2.149 108 D HA -0.057 4.593 4.640 0.016 0.000 0.201 108 D C 2.060 178.373 176.300 0.022 0.000 0.972 108 D CA 1.298 55.310 54.000 0.020 0.000 0.835 108 D CB -0.518 40.291 40.800 0.015 0.000 0.966 108 D HN 0.468 nan 8.370 nan 0.000 0.476 109 G N 1.235 110.049 108.800 0.023 0.000 2.432 109 G HA2 -0.194 3.775 3.960 0.016 0.000 0.219 109 G HA3 -0.194 3.775 3.960 0.016 0.000 0.219 109 G C 1.666 176.583 174.900 0.029 0.000 1.135 109 G CA 0.063 45.178 45.100 0.024 0.000 0.767 109 G HN 0.246 nan 8.290 nan 0.000 0.550 110 L N -0.685 120.559 121.223 0.034 0.000 2.240 110 L HA 0.214 4.564 4.340 0.016 0.000 0.211 110 L C 2.622 179.513 176.870 0.036 0.000 1.106 110 L CA 0.805 55.668 54.840 0.038 0.000 0.793 110 L CB 0.005 42.091 42.059 0.046 0.000 0.927 110 L HN 0.075 nan 8.230 nan 0.000 0.446 111 K N -0.180 120.239 120.400 0.032 0.000 2.365 111 K HA -0.154 4.176 4.320 0.016 0.000 0.199 111 K C 1.885 178.502 176.600 0.028 0.000 1.045 111 K CA 0.574 56.879 56.287 0.031 0.000 0.962 111 K CB 0.098 32.614 32.500 0.026 0.000 0.759 111 K HN 0.027 nan 8.250 nan 0.000 0.469 112 K N 0.609 121.024 120.400 0.026 0.000 2.160 112 K HA -0.140 4.189 4.320 0.016 0.000 0.206 112 K C 0.393 177.008 176.600 0.025 0.000 1.047 112 K CA 1.332 57.633 56.287 0.023 0.000 0.930 112 K CB 0.121 32.634 32.500 0.021 0.000 0.720 112 K HN 0.116 nan 8.250 nan 0.000 0.450 146 T N 3.565 117.660 114.554 -0.764 0.000 2.937 146 T HA 0.477 4.837 4.350 0.016 0.000 0.283 146 T C 0.955 175.144 174.700 -0.853 0.000 1.012 146 T CA 0.043 61.648 62.100 -0.824 0.000 0.997 146 T CB 1.366 69.984 68.868 -0.418 0.000 1.136 146 T HN 1.013 nan 8.240 nan 0.000 0.551 147 M N 0.681 119.982 119.600 -0.499 0.000 2.346 147 M HA 0.050 4.539 4.480 0.016 0.000 0.263 147 M C 0.537 176.890 176.300 0.089 0.000 1.064 147 M CA 1.408 56.699 55.300 -0.016 0.000 1.083 147 M CB -0.967 31.673 32.600 0.068 0.000 1.399 147 M HN 0.720 nan 8.290 nan 0.000 0.435 148 N N 0.563 119.200 118.700 -0.105 0.000 2.750 148 N HA 0.131 4.881 4.740 0.016 0.000 0.253 148 N C -0.708 174.633 175.510 -0.281 0.000 1.408 148 N CA 0.123 53.112 53.050 -0.102 0.000 0.780 148 N CB 0.466 38.934 38.487 -0.031 0.000 1.191 148 N HN 0.193 nan 8.380 nan 0.000 0.511 149 E N 0.291 120.146 120.200 -0.576 0.000 2.479 149 E HA 0.199 4.559 4.350 0.016 0.000 0.193 149 E C -0.603 175.685 176.600 -0.520 0.000 1.049 149 E CA 0.364 56.408 56.400 -0.594 0.000 0.870 149 E CB 0.255 29.481 29.700 -0.790 0.000 0.944 149 E HN 0.355 nan 8.360 nan 0.000 0.492 150 F N 0.772 120.701 119.950 -0.035 0.000 2.470 150 F HA 0.387 4.923 4.527 0.015 0.000 0.329 150 F C 0.342 176.164 175.800 0.037 0.000 1.072 150 F CA -1.409 56.602 58.000 0.019 0.000 0.989 150 F CB 1.188 40.224 39.000 0.062 0.000 1.193 150 F HN -0.255 nan 8.300 nan 0.000 0.481 151 E N 2.025 122.378 120.200 0.255 0.000 2.216 151 E HA 0.190 4.550 4.350 0.016 0.000 0.260 151 E C -1.625 175.093 176.600 0.197 0.000 0.880 151 E CA -0.829 55.678 56.400 0.179 0.000 0.765 151 E CB 1.017 30.781 29.700 0.106 0.000 1.174 151 E HN 0.616 nan 8.360 nan 0.000 0.417 152 Y N 5.454 125.808 120.300 0.091 0.000 2.810 152 Y HA -0.097 4.462 4.550 0.016 0.000 0.332 152 Y C -0.019 175.923 175.900 0.070 0.000 1.243 152 Y CA 0.727 58.868 58.100 0.069 0.000 1.537 152 Y CB 0.535 39.025 38.460 0.049 0.000 1.265 152 Y HN 0.666 nan 8.280 nan 0.000 0.572 153 L N 4.353 125.358 121.223 -0.363 0.000 2.588 153 L HA 0.328 4.677 4.340 0.016 0.000 0.194 153 L C 0.119 176.806 176.870 -0.305 0.000 1.070 153 L CA 0.662 55.403 54.840 -0.165 0.000 0.852 153 L CB -0.022 42.017 42.059 -0.034 0.000 1.199 153 L HN 0.656 nan 8.230 nan 0.000 0.486 154 K N -0.859 119.154 120.400 -0.645 0.000 2.658 154 K HA 0.284 4.614 4.320 0.016 0.000 0.293 154 K C -1.822 174.511 176.600 -0.445 0.000 1.026 154 K CA -0.691 55.350 56.287 -0.409 0.000 0.871 154 K CB 1.905 34.313 32.500 -0.153 0.000 1.524 154 K HN -0.138 nan 8.250 nan 0.000 0.400 155 L N 3.856 125.012 121.223 -0.112 0.000 2.281 155 L HA 0.310 4.660 4.340 0.016 0.000 0.285 155 L C 0.155 176.956 176.870 -0.115 0.000 1.074 155 L CA 0.188 54.990 54.840 -0.062 0.000 0.817 155 L CB 0.646 42.746 42.059 0.068 0.000 1.168 155 L HN 0.758 nan 8.230 nan 0.000 0.434 156 L N 4.793 125.908 121.223 -0.180 0.000 2.270 156 L HA 0.416 4.765 4.340 0.016 0.000 0.210 156 L C 1.025 177.796 176.870 -0.165 0.000 1.104 156 L CA 0.549 55.263 54.840 -0.210 0.000 0.804 156 L CB -0.444 41.402 42.059 -0.355 0.000 0.937 156 L HN 0.846 nan 8.230 nan 0.000 0.450 157 G N -0.500 108.219 108.800 -0.135 0.000 2.338 157 G HA2 0.324 4.293 3.960 0.016 0.000 0.295 157 G HA3 0.324 4.293 3.960 0.016 0.000 0.295 157 G C -1.774 173.092 174.900 -0.057 0.000 1.461 157 G CA -0.736 44.312 45.100 -0.087 0.000 0.817 157 G HN -0.161 nan 8.290 nan 0.000 0.556 158 K N -0.714 119.667 120.400 -0.033 0.000 2.477 158 K HA 0.777 5.107 4.320 0.016 0.000 0.255 158 K C -0.252 176.335 176.600 -0.022 0.000 0.952 158 K CA -0.694 55.583 56.287 -0.017 0.000 0.826 158 K CB 2.849 35.346 32.500 -0.007 0.000 1.331 158 K HN 0.988 nan 8.250 nan 0.000 0.437 159 G N -0.493 108.295 108.800 -0.020 0.000 2.727 159 G HA2 0.245 4.214 3.960 0.016 0.000 0.289 159 G HA3 0.245 4.214 3.960 0.016 0.000 0.289 159 G C 0.446 175.297 174.900 -0.082 0.000 1.418 159 G CA -0.475 44.591 45.100 -0.057 0.000 0.818 159 G HN 0.428 nan 8.290 nan 0.000 0.486 160 T N 0.230 114.661 114.554 -0.205 0.000 2.699 160 T HA -0.144 4.216 4.350 0.016 0.000 0.268 160 T C 1.579 176.214 174.700 -0.108 0.000 1.036 160 T CA 1.697 63.632 62.100 -0.275 0.000 1.147 160 T CB -0.318 68.183 68.868 -0.611 0.000 0.862 160 T HN 0.350 nan 8.240 nan 0.000 0.446 161 F N 0.880 120.829 119.950 -0.001 0.000 2.727 161 F HA 0.446 4.982 4.527 0.016 0.000 0.302 161 F C 1.532 177.341 175.800 0.015 0.000 1.097 161 F CA -0.505 57.498 58.000 0.006 0.000 1.330 161 F CB 0.649 39.654 39.000 0.008 0.000 1.084 161 F HN 0.341 nan 8.300 nan 0.000 0.578 162 G N 0.936 109.832 108.800 0.159 0.000 2.345 162 G HA2 0.256 4.225 3.960 0.016 0.000 0.285 162 G HA3 0.256 4.225 3.960 0.016 0.000 0.285 162 G C -1.960 172.977 174.900 0.061 0.000 1.297 162 G CA -1.124 44.039 45.100 0.105 0.000 0.875 162 G HN 0.057 nan 8.290 nan 0.000 0.506 163 K N -1.326 119.102 120.400 0.047 0.000 2.385 163 K HA 0.835 5.164 4.320 0.016 0.000 0.248 163 K C -1.238 175.360 176.600 -0.002 0.000 0.955 163 K CA -0.999 55.299 56.287 0.019 0.000 0.816 163 K CB 2.818 35.335 32.500 0.028 0.000 1.250 163 K HN 0.476 nan 8.250 nan 0.000 0.434 164 V N 2.779 122.657 119.914 -0.061 0.000 2.459 164 V HA 0.426 4.556 4.120 0.016 0.000 0.295 164 V C -0.509 175.481 176.094 -0.173 0.000 1.029 164 V CA -0.881 61.338 62.300 -0.135 0.000 0.874 164 V CB 1.250 32.891 31.823 -0.302 0.000 0.985 164 V HN 0.673 nan 8.190 nan 0.000 0.438 165 I N 4.561 125.032 120.570 -0.165 0.000 2.646 165 I HA 0.465 4.645 4.170 0.016 0.000 0.299 165 I C -0.437 175.521 176.117 -0.265 0.000 1.036 165 I CA -0.944 60.232 61.300 -0.208 0.000 1.074 165 I CB 1.976 39.907 38.000 -0.115 0.000 1.258 165 I HN 0.448 nan 8.210 nan 0.000 0.430 166 L N 6.884 127.893 121.223 -0.356 0.000 2.276 166 L HA 0.554 4.904 4.340 0.016 0.000 0.286 166 L C -0.367 176.386 176.870 -0.195 0.000 1.061 166 L CA -0.258 54.398 54.840 -0.307 0.000 0.807 166 L CB 1.113 42.951 42.059 -0.367 0.000 1.177 166 L HN 0.384 nan 8.230 nan 0.000 0.429 167 V N 2.308 122.199 119.914 -0.040 0.000 2.656 167 V HA 0.586 4.715 4.120 0.016 0.000 0.307 167 V C -0.515 175.679 176.094 0.165 0.000 1.051 167 V CA -1.028 61.309 62.300 0.061 0.000 0.893 167 V CB 1.490 33.322 31.823 0.014 0.000 0.999 167 V HN 0.810 nan 8.190 nan 0.000 0.426 168 K N 2.908 123.356 120.400 0.081 0.000 2.201 168 K HA 0.357 4.686 4.320 0.016 0.000 0.278 168 K C -0.042 176.636 176.600 0.131 0.000 1.027 168 K CA -0.330 55.869 56.287 -0.147 0.000 0.909 168 K CB 1.275 33.537 32.500 -0.397 0.000 1.062 168 K HN 0.985 nan 8.250 nan 0.000 0.465 169 E N 3.935 124.262 120.200 0.213 0.000 2.217 169 E HA -0.018 4.342 4.350 0.016 0.000 0.279 169 E C 0.322 176.936 176.600 0.024 0.000 1.068 169 E CA -0.266 56.273 56.400 0.232 0.000 0.882 169 E CB 0.671 30.595 29.700 0.373 0.000 1.039 169 E HN 0.431 nan 8.360 nan 0.000 0.418 170 K N 3.043 123.416 120.400 -0.045 0.000 2.442 170 K HA -0.091 4.238 4.320 0.016 0.000 0.198 170 K C 1.047 177.611 176.600 -0.060 0.000 1.042 170 K CA 0.887 57.139 56.287 -0.058 0.000 0.958 170 K CB 0.155 32.611 32.500 -0.073 0.000 0.766 170 K HN 0.538 nan 8.250 nan 0.000 0.474 171 A N 0.051 122.831 122.820 -0.067 0.000 2.063 171 A HA -0.025 4.304 4.320 0.016 0.000 0.211 171 A C 1.957 179.541 177.584 -0.001 0.000 1.177 171 A CA 1.284 53.292 52.037 -0.048 0.000 0.759 171 A CB 0.032 18.985 19.000 -0.078 0.000 0.857 171 A HN 0.370 nan 8.150 nan 0.000 0.468 172 T N -6.227 108.345 114.554 0.031 0.000 3.026 172 T HA 0.437 4.797 4.350 0.016 0.000 0.245 172 T C 1.629 176.346 174.700 0.028 0.000 1.004 172 T CA 1.276 63.413 62.100 0.061 0.000 1.069 172 T CB 0.345 69.300 68.868 0.144 0.000 1.005 172 T HN 1.579 nan 8.240 nan 0.000 0.472 173 G N 2.860 111.653 108.800 -0.012 0.000 2.317 173 G HA2 -0.261 3.708 3.960 0.016 0.000 0.227 173 G HA3 -0.261 3.708 3.960 0.016 0.000 0.227 173 G C 0.361 175.147 174.900 -0.189 0.000 1.042 173 G CA -0.017 45.025 45.100 -0.096 0.000 0.623 173 G HN 0.980 nan 8.290 nan 0.000 0.509 174 R N 0.314 120.779 120.500 -0.057 0.000 2.543 174 R HA 0.542 4.891 4.340 0.016 0.000 0.277 174 R C -0.091 176.106 176.300 -0.172 0.000 1.074 174 R CA -0.358 55.716 56.100 -0.044 0.000 1.076 174 R CB 0.533 30.822 30.300 -0.020 0.000 0.993 174 R HN 0.280 nan 8.270 nan 0.000 0.459 175 Y N 1.059 121.261 120.300 -0.162 0.000 2.340 175 Y HA 0.367 4.926 4.550 0.015 0.000 0.327 175 Y C -0.140 175.529 175.900 -0.384 0.000 1.321 175 Y CA -0.179 57.847 58.100 -0.124 0.000 1.433 175 Y CB 0.803 39.232 38.460 -0.051 0.000 1.373 175 Y HN 0.483 nan 8.280 nan 0.000 0.538 176 Y N -1.412 119.022 120.300 0.224 0.000 2.638 176 Y HA 0.625 5.184 4.550 0.015 0.000 0.335 176 Y C -0.655 175.247 175.900 0.004 0.000 1.155 176 Y CA -1.668 56.523 58.100 0.151 0.000 1.046 176 Y CB 1.420 39.941 38.460 0.101 0.000 1.303 176 Y HN 0.585 nan 8.280 nan 0.000 0.460 177 A N 2.327 125.303 122.820 0.260 0.000 2.305 177 A HA 0.743 5.072 4.320 0.016 0.000 0.322 177 A C -0.900 176.742 177.584 0.097 0.000 1.187 177 A CA -0.617 51.487 52.037 0.111 0.000 0.825 177 A CB 0.734 19.932 19.000 0.329 0.000 1.164 177 A HN 0.764 nan 8.150 nan 0.000 0.498 178 M N 3.130 122.711 119.600 -0.032 0.000 2.085 178 M HA 0.356 4.845 4.480 0.016 0.000 0.309 178 M C -0.599 175.692 176.300 -0.015 0.000 0.947 178 M CA -0.354 54.906 55.300 -0.067 0.000 0.918 178 M CB 0.796 33.281 32.600 -0.190 0.000 1.504 178 M HN 0.671 nan 8.290 nan 0.000 0.420 179 K N 5.869 126.319 120.400 0.083 0.000 2.316 179 K HA 0.396 4.725 4.320 0.016 0.000 0.289 179 K C -1.242 175.411 176.600 0.087 0.000 1.070 179 K CA -0.069 56.301 56.287 0.138 0.000 0.928 179 K CB 0.443 33.098 32.500 0.260 0.000 1.039 179 K HN 0.744 nan 8.250 nan 0.000 0.480 180 I N 7.201 127.793 120.570 0.037 0.000 2.359 180 I HA 0.191 4.370 4.170 0.016 0.000 0.284 180 I C -0.429 175.711 176.117 0.039 0.000 1.018 180 I CA -0.647 60.645 61.300 -0.013 0.000 1.173 180 I CB 0.849 38.836 38.000 -0.022 0.000 1.326 180 I HN 0.414 nan 8.210 nan 0.000 0.462 181 L N 6.863 128.115 121.223 0.047 0.000 2.325 181 L HA 0.406 4.755 4.340 0.016 0.000 0.279 181 L C 0.375 177.260 176.870 0.025 0.000 1.054 181 L CA -0.987 53.900 54.840 0.078 0.000 0.804 181 L CB 1.187 43.323 42.059 0.128 0.000 1.200 181 L HN 0.545 nan 8.230 nan 0.000 0.436 182 K N 2.223 122.650 120.400 0.045 0.000 2.349 182 K HA 0.118 4.447 4.320 0.016 0.000 0.288 182 K C 0.407 177.003 176.600 -0.007 0.000 1.058 182 K CA -0.497 55.804 56.287 0.024 0.000 0.953 182 K CB 0.774 33.304 32.500 0.051 0.000 0.997 182 K HN 0.600 nan 8.250 nan 0.000 0.477 183 K N 2.599 122.988 120.400 -0.018 0.000 2.365 183 K HA -0.123 4.206 4.320 0.016 0.000 0.199 183 K C 0.917 177.499 176.600 -0.031 0.000 1.045 183 K CA 0.895 57.164 56.287 -0.031 0.000 0.962 183 K CB 0.188 32.670 32.500 -0.031 0.000 0.759 183 K HN 0.681 nan 8.250 nan 0.000 0.469 184 E N 1.252 121.442 120.200 -0.017 0.000 2.481 184 E HA -0.048 4.312 4.350 0.016 0.000 0.195 184 E C 1.678 178.263 176.600 -0.025 0.000 1.047 184 E CA 0.466 56.859 56.400 -0.012 0.000 0.867 184 E CB -0.119 29.584 29.700 0.005 0.000 0.858 184 E HN 0.208 nan 8.360 nan 0.000 0.513 185 V N 1.969 121.852 119.914 -0.051 0.000 2.719 185 V HA -0.120 4.009 4.120 0.016 0.000 0.252 185 V C 2.184 178.181 176.094 -0.162 0.000 1.065 185 V CA 1.434 63.672 62.300 -0.105 0.000 1.086 185 V CB -0.580 31.134 31.823 -0.182 0.000 0.700 185 V HN 0.360 nan 8.190 nan 0.000 0.467 186 I N -2.618 117.868 120.570 -0.140 0.000 4.728 186 I HA 0.216 4.396 4.170 0.016 0.000 0.233 186 I C 0.861 176.942 176.117 -0.060 0.000 1.004 186 I CA 0.116 61.346 61.300 -0.117 0.000 1.677 186 I CB -0.290 37.637 38.000 -0.121 0.000 1.509 186 I HN -0.186 nan 8.210 nan 0.000 0.463 187 V N 3.823 123.711 119.914 -0.043 0.000 2.180 187 V HA 0.349 4.478 4.120 0.016 0.000 0.238 187 V C 0.892 176.976 176.094 -0.017 0.000 1.337 187 V CA -0.047 62.239 62.300 -0.023 0.000 1.338 187 V CB -1.352 30.462 31.823 -0.016 0.000 1.431 187 V HN 0.498 nan 8.190 nan 0.000 0.498 200 R N 0.982 121.532 120.500 0.084 0.000 2.547 200 R HA 0.169 4.519 4.340 0.016 0.000 0.258 200 R C 0.560 176.929 176.300 0.115 0.000 1.115 200 R CA -0.168 55.987 56.100 0.092 0.000 1.152 200 R CB -0.337 30.012 30.300 0.083 0.000 1.221 200 R HN 0.473 nan 8.270 nan 0.000 0.539 201 V N 1.594 121.589 119.914 0.136 0.000 2.876 201 V HA -0.256 3.873 4.120 0.016 0.000 0.265 201 V C 1.931 178.182 176.094 0.262 0.000 1.135 201 V CA 1.704 64.115 62.300 0.186 0.000 1.152 201 V CB -0.729 31.227 31.823 0.221 0.000 0.727 201 V HN 0.463 nan 8.190 nan 0.000 0.511 202 L N -2.359 119.011 121.223 0.244 0.000 2.627 202 L HA 0.101 4.450 4.340 0.016 0.000 0.233 202 L C 1.781 178.773 176.870 0.203 0.000 1.144 202 L CA 0.882 55.905 54.840 0.305 0.000 0.892 202 L CB -0.616 41.549 42.059 0.176 0.000 1.039 202 L HN 0.224 nan 8.230 nan 0.000 0.442 203 Q N -0.107 119.785 119.800 0.152 0.000 2.392 203 Q HA 0.085 4.435 4.340 0.016 0.000 0.219 203 Q C 1.338 177.407 176.000 0.115 0.000 0.895 203 Q CA 0.297 56.165 55.803 0.109 0.000 0.929 203 Q CB 0.204 28.989 28.738 0.080 0.000 1.077 203 Q HN 0.510 nan 8.270 nan 0.000 0.532 204 N N 0.471 119.255 118.700 0.139 0.000 2.216 204 N HA -0.060 4.689 4.740 0.016 0.000 0.183 204 N C 0.959 176.585 175.510 0.194 0.000 1.017 204 N CA 0.986 54.122 53.050 0.145 0.000 0.861 204 N CB -0.006 38.559 38.487 0.130 0.000 0.986 204 N HN -0.041 nan 8.380 nan 0.000 0.428 205 S N 0.795 116.616 115.700 0.201 0.000 2.803 205 S HA 0.129 4.609 4.470 0.016 0.000 0.228 205 S C 0.253 174.954 174.600 0.169 0.000 0.953 205 S CA -0.091 58.234 58.200 0.208 0.000 0.983 205 S CB -0.059 63.191 63.200 0.084 0.000 0.784 205 S HN 0.123 nan 8.310 nan 0.000 0.498 206 R N 2.760 123.321 120.500 0.103 0.000 2.316 206 R HA 0.270 4.620 4.340 0.016 0.000 0.314 206 R C -0.245 175.945 176.300 -0.184 0.000 1.069 206 R CA 0.193 56.286 56.100 -0.011 0.000 0.959 206 R CB -0.153 30.140 30.300 -0.012 0.000 0.987 206 R HN 0.380 nan 8.270 nan 0.000 0.446 207 H N 4.755 123.609 119.070 -0.360 0.000 2.806 207 H HA 0.248 4.809 4.556 0.008 0.000 0.367 207 H C -1.903 173.117 175.328 -0.514 0.000 1.136 207 H CA -1.873 53.835 56.048 -0.567 0.000 1.178 207 H CB 2.763 32.088 29.762 -0.728 0.000 1.718 207 H HN 0.214 nan 8.280 nan 0.000 0.540 208 P HA -0.071 nan 4.420 nan 0.000 0.225 208 P C 0.418 177.333 177.300 -0.642 0.000 1.148 208 P CA 0.938 63.469 63.100 -0.949 0.000 0.779 208 P CB 0.102 30.909 31.700 -1.489 0.000 0.780 209 F N -1.143 118.820 119.950 0.021 0.000 2.683 209 F HA 0.333 4.871 4.527 0.018 0.000 0.306 209 F C 0.960 176.754 175.800 -0.009 0.000 1.102 209 F CA -0.667 57.355 58.000 0.038 0.000 1.244 209 F CB -0.108 38.932 39.000 0.067 0.000 1.029 209 F HN -0.250 nan 8.300 nan 0.000 0.545 210 L N 0.450 121.732 121.223 0.099 0.000 2.346 210 L HA 0.431 4.780 4.340 0.016 0.000 0.276 210 L C 0.425 177.303 176.870 0.014 0.000 1.006 210 L CA -1.042 53.801 54.840 0.006 0.000 0.817 210 L CB 1.933 43.972 42.059 -0.033 0.000 1.272 210 L HN 0.036 nan 8.230 nan 0.000 0.421 211 T N 0.196 114.751 114.554 0.002 0.000 2.853 211 T HA 0.435 4.795 4.350 0.016 0.000 0.298 211 T C 0.258 175.012 174.700 0.090 0.000 0.978 211 T CA -0.707 61.414 62.100 0.034 0.000 1.152 211 T CB 0.957 69.821 68.868 -0.007 0.000 0.914 211 T HN 0.647 nan 8.240 nan 0.000 0.539 212 A N 4.046 126.932 122.820 0.110 0.000 2.363 212 A HA 0.556 4.886 4.320 0.016 0.000 0.270 212 A C 0.103 177.793 177.584 0.177 0.000 1.121 212 A CA -0.845 51.276 52.037 0.141 0.000 0.800 212 A CB 0.192 19.253 19.000 0.101 0.000 1.052 212 A HN 0.926 nan 8.150 nan 0.000 0.493 213 L N 2.300 123.655 121.223 0.219 0.000 2.283 213 L HA 0.352 4.701 4.340 0.016 0.000 0.287 213 L C 1.080 177.980 176.870 0.050 0.000 1.073 213 L CA 0.403 55.328 54.840 0.142 0.000 0.822 213 L CB 0.512 42.633 42.059 0.104 0.000 1.186 213 L HN 0.900 nan 8.230 nan 0.000 0.436 214 K N 3.615 123.985 120.400 -0.050 0.000 2.244 214 K HA 0.136 4.465 4.320 0.016 0.000 0.200 214 K C -0.716 175.546 176.600 -0.563 0.000 1.052 214 K CA 0.475 56.569 56.287 -0.321 0.000 0.980 214 K CB 0.319 32.565 32.500 -0.424 0.000 0.838 214 K HN 0.515 nan 8.250 nan 0.000 0.481 215 Y N -0.189 120.130 120.300 0.032 0.000 2.492 215 Y HA 0.320 4.881 4.550 0.019 0.000 0.346 215 Y C -0.923 174.990 175.900 0.022 0.000 0.997 215 Y CA -1.307 56.835 58.100 0.070 0.000 1.025 215 Y CB 2.361 40.920 38.460 0.164 0.000 1.263 215 Y HN -0.043 nan 8.280 nan 0.000 0.454 216 S N 2.587 118.395 115.700 0.180 0.000 2.736 216 S HA 0.848 5.327 4.470 0.016 0.000 0.285 216 S C -1.271 173.301 174.600 -0.047 0.000 1.163 216 S CA -0.705 57.450 58.200 -0.075 0.000 1.025 216 S CB 0.346 63.554 63.200 0.014 0.000 1.030 216 S HN 0.611 nan 8.310 nan 0.000 0.486 217 F N -0.057 119.781 119.950 -0.186 0.000 2.599 217 F HA 0.759 5.295 4.527 0.015 0.000 0.311 217 F C -0.602 175.065 175.800 -0.222 0.000 1.076 217 F CA -1.103 56.806 58.000 -0.151 0.000 0.937 217 F CB 1.279 40.227 39.000 -0.086 0.000 1.282 217 F HN 0.499 nan 8.300 nan 0.000 0.460 218 Q N 1.102 120.946 119.800 0.073 0.000 2.248 218 Q HA 0.694 5.043 4.340 0.016 0.000 0.263 218 Q C -0.477 175.560 176.000 0.063 0.000 1.007 218 Q CA -0.737 55.052 55.803 -0.023 0.000 0.877 218 Q CB 2.557 31.266 28.738 -0.049 0.000 1.315 218 Q HN 0.977 nan 8.270 nan 0.000 0.454 219 T N -3.860 110.673 114.554 -0.034 0.000 2.550 219 T HA 0.210 4.570 4.350 0.016 0.000 0.256 219 T C 0.751 175.385 174.700 -0.111 0.000 0.866 219 T CA -0.446 61.561 62.100 -0.155 0.000 1.163 219 T CB -0.122 68.541 68.868 -0.341 0.000 1.460 219 T HN 0.707 nan 8.240 nan 0.000 0.498 220 H N 1.249 120.335 119.070 0.027 0.000 2.421 220 H HA 0.084 4.650 4.556 0.017 0.000 0.298 220 H C 0.725 176.058 175.328 0.007 0.000 1.087 220 H CA 1.562 57.618 56.048 0.013 0.000 1.330 220 H CB 0.007 29.777 29.762 0.012 0.000 1.388 220 H HN 0.756 nan 8.280 nan 0.000 0.526 221 D N -2.213 118.231 120.400 0.073 0.000 2.475 221 D HA 0.053 4.703 4.640 0.016 0.000 0.306 221 D C 0.142 176.440 176.300 -0.002 0.000 1.304 221 D CA -0.234 53.790 54.000 0.040 0.000 0.862 221 D CB 0.413 41.248 40.800 0.058 0.000 1.306 221 D HN -0.088 nan 8.370 nan 0.000 0.494 222 R N 0.598 121.076 120.500 -0.036 0.000 2.711 222 R HA 0.597 4.946 4.340 0.016 0.000 0.284 222 R C -0.742 175.474 176.300 -0.141 0.000 0.968 222 R CA -0.749 55.310 56.100 -0.069 0.000 0.924 222 R CB 1.831 32.094 30.300 -0.060 0.000 1.162 222 R HN 0.095 nan 8.270 nan 0.000 0.465 223 L N 2.021 123.135 121.223 -0.182 0.000 2.265 223 L HA 0.409 4.758 4.340 0.016 0.000 0.289 223 L C -0.603 175.909 176.870 -0.595 0.000 1.033 223 L CA -0.546 54.077 54.840 -0.361 0.000 0.814 223 L CB 1.246 43.163 42.059 -0.236 0.000 1.203 223 L HN 0.506 nan 8.230 nan 0.000 0.423 224 C N 3.757 122.505 119.300 -0.920 0.000 2.355 224 C HA 0.615 5.085 4.460 0.016 0.000 0.332 224 C C -0.385 173.842 174.990 -1.271 0.000 1.255 224 C CA -0.744 57.663 59.018 -1.017 0.000 1.792 224 C CB 0.484 27.388 27.740 -1.394 0.000 2.300 224 C HN 0.504 nan 8.230 nan 0.000 0.515 225 F N 1.700 121.423 119.950 -0.379 0.000 2.536 225 F HA 0.444 4.981 4.527 0.016 0.000 0.322 225 F C -0.144 175.540 175.800 -0.194 0.000 1.144 225 F CA -0.760 57.079 58.000 -0.269 0.000 0.924 225 F CB 1.346 40.223 39.000 -0.204 0.000 1.181 225 F HN 0.191 nan 8.300 nan 0.000 0.438 226 V N 5.525 125.439 119.914 0.001 0.000 2.288 226 V HA 0.343 4.472 4.120 0.016 0.000 0.266 226 V C 0.197 176.338 176.094 0.078 0.000 1.048 226 V CA -0.484 61.797 62.300 -0.032 0.000 0.842 226 V CB 0.468 32.225 31.823 -0.111 0.000 1.064 226 V HN 0.678 nan 8.190 nan 0.000 0.472 227 M N 2.874 122.589 119.600 0.191 0.000 2.478 227 M HA 0.645 5.135 4.480 0.016 0.000 0.327 227 M C 0.239 176.794 176.300 0.425 0.000 1.187 227 M CA -0.689 54.767 55.300 0.260 0.000 1.022 227 M CB 1.227 33.970 32.600 0.239 0.000 1.629 227 M HN 0.686 nan 8.290 nan 0.000 0.461 228 E N 0.785 121.215 120.200 0.383 0.000 2.409 228 E HA 0.130 4.489 4.350 0.016 0.000 0.257 228 E C -1.740 175.070 176.600 0.350 0.000 1.150 228 E CA -0.344 56.281 56.400 0.374 0.000 0.942 228 E CB 0.610 30.445 29.700 0.226 0.000 0.979 228 E HN 0.645 nan 8.360 nan 0.000 0.447 229 Y N 0.307 120.674 120.300 0.111 0.000 2.350 229 Y HA 0.469 5.028 4.550 0.015 0.000 0.338 229 Y C -0.821 175.127 175.900 0.078 0.000 0.961 229 Y CA -0.920 57.252 58.100 0.120 0.000 1.100 229 Y CB 1.621 40.144 38.460 0.106 0.000 1.179 229 Y HN 0.744 nan 8.280 nan 0.000 0.454 230 A N 4.984 127.548 122.820 -0.426 0.000 2.328 230 A HA 0.293 4.622 4.320 0.016 0.000 0.284 230 A C 0.327 177.664 177.584 -0.411 0.000 1.160 230 A CA -0.505 51.360 52.037 -0.287 0.000 0.818 230 A CB 0.315 19.218 19.000 -0.162 0.000 1.087 230 A HN 0.945 nan 8.150 nan 0.000 0.504 231 N N 2.776 121.392 118.700 -0.141 0.000 2.333 231 N HA -0.064 4.685 4.740 0.016 0.000 0.178 231 N C 1.256 176.763 175.510 -0.005 0.000 1.018 231 N CA 1.193 54.209 53.050 -0.057 0.000 0.882 231 N CB 0.116 38.613 38.487 0.017 0.000 0.984 231 N HN 0.704 nan 8.380 nan 0.000 0.434 232 G N 0.567 109.389 108.800 0.036 0.000 3.374 232 G HA2 0.408 4.377 3.960 0.016 0.000 0.252 232 G HA3 0.408 4.377 3.960 0.016 0.000 0.252 232 G C 0.792 175.844 174.900 0.253 0.000 1.326 232 G CA 0.228 45.411 45.100 0.140 0.000 1.133 232 G HN 0.475 nan 8.290 nan 0.000 0.528 233 G N 0.407 109.283 108.800 0.125 0.000 2.894 233 G HA2 -0.005 3.965 3.960 0.016 0.000 0.247 233 G HA3 -0.005 3.965 3.960 0.016 0.000 0.247 233 G C -0.066 174.866 174.900 0.054 0.000 1.442 233 G CA -0.063 45.073 45.100 0.060 0.000 0.897 233 G HN 0.852 nan 8.290 nan 0.000 0.550 234 E N -0.056 120.062 120.200 -0.136 0.000 2.222 234 E HA 0.545 4.905 4.350 0.016 0.000 0.267 234 E C 1.612 178.153 176.600 -0.098 0.000 0.963 234 E CA -0.933 55.424 56.400 -0.072 0.000 0.837 234 E CB 0.957 30.611 29.700 -0.076 0.000 1.183 234 E HN 0.520 nan 8.360 nan 0.000 0.403 235 L N 0.462 121.683 121.223 -0.003 0.000 2.013 235 L HA -0.176 4.174 4.340 0.016 0.000 0.212 235 L C 2.363 179.251 176.870 0.029 0.000 1.073 235 L CA 1.722 56.567 54.840 0.008 0.000 0.753 235 L CB -0.570 41.461 42.059 -0.046 0.000 0.890 235 L HN 0.571 nan 8.230 nan 0.000 0.432 236 F N 0.034 119.947 119.950 -0.062 0.000 2.082 236 F HA -0.386 4.150 4.527 0.016 0.000 0.298 236 F C 2.269 178.091 175.800 0.036 0.000 1.091 236 F CA 1.645 59.636 58.000 -0.014 0.000 1.230 236 F CB -0.215 38.791 39.000 0.011 0.000 0.983 236 F HN -0.100 nan 8.300 nan 0.000 0.485 237 F N 0.658 120.529 119.950 -0.132 0.000 1.993 237 F HA -0.257 4.280 4.527 0.017 0.000 0.297 237 F C 2.676 178.290 175.800 -0.310 0.000 1.177 237 F CA 2.371 60.200 58.000 -0.284 0.000 1.182 237 F CB -1.522 37.196 39.000 -0.471 0.000 0.958 237 F HN 0.062 nan 8.300 nan 0.000 0.496 238 H N -1.117 117.993 119.070 0.067 0.000 2.543 238 H HA -0.105 4.460 4.556 0.015 0.000 0.286 238 H C 1.820 177.099 175.328 -0.082 0.000 1.037 238 H CA 0.842 56.804 56.048 -0.144 0.000 1.250 238 H CB -0.197 29.229 29.762 -0.560 0.000 1.373 238 H HN 0.205 nan 8.280 nan 0.000 0.580 239 L N -0.162 121.004 121.223 -0.095 0.000 2.375 239 L HA 0.034 4.383 4.340 0.016 0.000 0.215 239 L C 1.907 178.548 176.870 -0.382 0.000 1.108 239 L CA 0.903 55.481 54.840 -0.436 0.000 0.830 239 L CB -0.056 41.670 42.059 -0.554 0.000 0.959 239 L HN 0.005 nan 8.230 nan 0.000 0.457 240 S N -0.105 115.397 115.700 -0.330 0.000 2.368 240 S HA -0.050 4.430 4.470 0.016 0.000 0.224 240 S C 1.876 176.351 174.600 -0.209 0.000 1.029 240 S CA 0.865 58.876 58.200 -0.316 0.000 0.988 240 S CB -0.218 62.768 63.200 -0.358 0.000 0.838 240 S HN 0.441 nan 8.310 nan 0.000 0.462 241 R N 1.457 121.867 120.500 -0.151 0.000 2.189 241 R HA 0.136 4.486 4.340 0.016 0.000 0.218 241 R C 1.343 177.627 176.300 -0.027 0.000 1.074 241 R CA 0.701 56.756 56.100 -0.074 0.000 0.991 241 R CB -0.463 29.829 30.300 -0.014 0.000 0.883 241 R HN 0.461 nan 8.270 nan 0.000 0.457 242 E N 0.066 120.250 120.200 -0.027 0.000 2.431 242 E HA 0.127 4.486 4.350 0.016 0.000 0.200 242 E C 0.572 177.135 176.600 -0.062 0.000 0.995 242 E CA -0.251 56.171 56.400 0.037 0.000 0.915 242 E CB 0.350 30.206 29.700 0.261 0.000 0.930 242 E HN 0.095 nan 8.360 nan 0.000 0.496 243 R N -0.847 119.551 120.500 -0.169 0.000 2.198 243 R HA -0.177 4.173 4.340 0.016 0.000 0.155 243 R C 0.491 176.646 176.300 -0.240 0.000 0.877 243 R CA 1.558 57.548 56.100 -0.183 0.000 1.870 243 R CB -1.566 28.671 30.300 -0.105 0.000 0.812 243 R HN 0.280 nan 8.270 nan 0.000 0.662 244 V N 0.015 119.800 119.914 -0.214 0.000 3.216 244 V HA 0.711 4.841 4.120 0.016 0.000 0.302 244 V C -1.595 174.467 176.094 -0.053 0.000 1.286 244 V CA -0.831 61.341 62.300 -0.214 0.000 1.048 244 V CB 2.299 34.067 31.823 -0.092 0.000 1.081 244 V HN 0.059 nan 8.190 nan 0.000 0.442 245 F N 2.238 122.190 119.950 0.003 0.000 2.532 245 F HA 0.683 5.219 4.527 0.015 0.000 0.321 245 F C 0.795 176.620 175.800 0.042 0.000 1.089 245 F CA -0.748 57.276 58.000 0.040 0.000 0.926 245 F CB 2.011 41.065 39.000 0.091 0.000 1.168 245 F HN 0.712 nan 8.300 nan 0.000 0.459 246 S N 1.197 117.044 115.700 0.246 0.000 2.580 246 S HA 0.039 4.518 4.470 0.016 0.000 0.261 246 S C 0.972 175.675 174.600 0.171 0.000 1.366 246 S CA -0.283 58.003 58.200 0.143 0.000 0.996 246 S CB 0.554 63.803 63.200 0.082 0.000 0.902 246 S HN 0.701 nan 8.310 nan 0.000 0.566 247 E N 0.551 120.843 120.200 0.154 0.000 2.072 247 E HA -0.138 4.221 4.350 0.016 0.000 0.190 247 E C 1.376 178.113 176.600 0.228 0.000 0.982 247 E CA 1.184 57.737 56.400 0.257 0.000 0.803 247 E CB -0.234 29.639 29.700 0.287 0.000 0.755 247 E HN 0.639 nan 8.360 nan 0.000 0.453 248 D N 0.637 121.089 120.400 0.087 0.000 2.116 248 D HA -0.187 4.462 4.640 0.016 0.000 0.193 248 D C 1.919 178.250 176.300 0.052 0.000 0.998 248 D CA 1.096 55.108 54.000 0.020 0.000 0.836 248 D CB -0.212 40.575 40.800 -0.022 0.000 0.951 248 D HN 0.038 nan 8.370 nan 0.000 0.449 249 R N 0.261 120.783 120.500 0.037 0.000 2.115 249 R HA -0.000 4.349 4.340 0.016 0.000 0.230 249 R C 1.964 178.355 176.300 0.151 0.000 1.111 249 R CA 1.239 57.319 56.100 -0.033 0.000 0.976 249 R CB -0.051 30.155 30.300 -0.157 0.000 0.870 249 R HN 0.116 nan 8.270 nan 0.000 0.445 250 A N 0.613 123.604 122.820 0.285 0.000 2.014 250 A HA -0.104 4.226 4.320 0.016 0.000 0.218 250 A C 2.088 179.931 177.584 0.433 0.000 1.163 250 A CA 0.998 53.278 52.037 0.404 0.000 0.652 250 A CB -0.378 18.830 19.000 0.346 0.000 0.808 250 A HN 0.353 nan 8.150 nan 0.000 0.449 251 R N -1.545 119.205 120.500 0.417 0.000 2.189 251 R HA -0.061 4.288 4.340 0.016 0.000 0.218 251 R C 1.729 178.209 176.300 0.301 0.000 1.074 251 R CA 1.374 57.740 56.100 0.444 0.000 0.991 251 R CB -0.374 29.973 30.300 0.079 0.000 0.883 251 R HN 0.533 nan 8.270 nan 0.000 0.457 252 F N -0.304 119.646 119.950 -0.000 0.000 2.163 252 F HA -0.106 4.432 4.527 0.019 0.000 0.297 252 F C 1.055 176.731 175.800 -0.207 0.000 1.094 252 F CA 1.220 59.103 58.000 -0.195 0.000 1.290 252 F CB -0.114 38.628 39.000 -0.429 0.000 1.017 252 F HN -0.045 nan 8.300 nan 0.000 0.483 253 Y N 0.453 120.873 120.300 0.200 0.000 2.286 253 Y HA 0.130 4.689 4.550 0.015 0.000 0.293 253 Y C 2.686 178.605 175.900 0.032 0.000 1.124 253 Y CA 0.970 59.113 58.100 0.072 0.000 1.178 253 Y CB -1.277 37.313 38.460 0.218 0.000 1.010 253 Y HN 0.117 nan 8.280 nan 0.000 0.536 254 G N -0.286 108.711 108.800 0.328 0.000 2.422 254 G HA2 -0.232 3.738 3.960 0.016 0.000 0.218 254 G HA3 -0.232 3.738 3.960 0.016 0.000 0.218 254 G C 1.926 176.976 174.900 0.248 0.000 1.146 254 G CA 1.024 46.339 45.100 0.358 0.000 0.769 254 G HN 0.451 nan 8.290 nan 0.000 0.547 255 A N 0.936 123.844 122.820 0.147 0.000 1.902 255 A HA -0.019 4.310 4.320 0.016 0.000 0.217 255 A C 2.174 179.758 177.584 -0.000 0.000 1.181 255 A CA 1.835 53.885 52.037 0.021 0.000 0.623 255 A CB -0.343 18.527 19.000 -0.217 0.000 0.818 255 A HN 0.453 nan 8.150 nan 0.000 0.443 256 E N -0.423 119.583 120.200 -0.322 0.000 2.152 256 E HA -0.073 4.287 4.350 0.016 0.000 0.192 256 E C 1.857 178.282 176.600 -0.291 0.000 0.983 256 E CA 0.831 56.816 56.400 -0.692 0.000 0.818 256 E CB -0.233 28.612 29.700 -1.426 0.000 0.758 256 E HN 0.700 nan 8.360 nan 0.000 0.467 257 I N 0.736 121.242 120.570 -0.106 0.000 2.252 257 I HA -0.236 3.943 4.170 0.016 0.000 0.245 257 I C 2.377 178.527 176.117 0.054 0.000 1.102 257 I CA 0.783 62.078 61.300 -0.007 0.000 1.385 257 I CB -0.184 37.857 38.000 0.068 0.000 1.064 257 I HN -0.026 nan 8.210 nan 0.000 0.414 258 V N 0.025 120.016 119.914 0.128 0.000 2.343 258 V HA -0.301 3.829 4.120 0.016 0.000 0.247 258 V C 2.635 178.787 176.094 0.096 0.000 1.051 258 V CA 2.184 64.578 62.300 0.156 0.000 1.036 258 V CB -0.513 31.289 31.823 -0.034 0.000 0.654 258 V HN 0.475 nan 8.190 nan 0.000 0.451 259 S N 0.067 115.879 115.700 0.187 0.000 2.359 259 S HA -0.256 4.223 4.470 0.016 0.000 0.223 259 S C 2.148 176.840 174.600 0.152 0.000 1.039 259 S CA 1.982 60.372 58.200 0.317 0.000 1.042 259 S CB -0.410 63.160 63.200 0.617 0.000 0.915 259 S HN 0.627 nan 8.310 nan 0.000 0.439 260 A N 1.095 123.928 122.820 0.022 0.000 1.902 260 A HA 0.059 4.389 4.320 0.016 0.000 0.217 260 A C 2.279 179.706 177.584 -0.263 0.000 1.181 260 A CA 1.516 53.329 52.037 -0.373 0.000 0.623 260 A CB -0.743 18.145 19.000 -0.186 0.000 0.818 260 A HN 0.593 nan 8.150 nan 0.000 0.443 261 L N -0.850 120.244 121.223 -0.214 0.000 2.109 261 L HA -0.138 4.212 4.340 0.016 0.000 0.207 261 L C 2.386 178.980 176.870 -0.460 0.000 1.086 261 L CA 1.459 56.045 54.840 -0.423 0.000 0.760 261 L CB -0.542 41.165 42.059 -0.587 0.000 0.910 261 L HN 0.426 nan 8.230 nan 0.000 0.437 262 D N -0.275 120.051 120.400 -0.124 0.000 2.133 262 D HA -0.311 4.338 4.640 0.016 0.000 0.195 262 D C 2.072 178.382 176.300 0.017 0.000 0.997 262 D CA 1.522 55.520 54.000 -0.003 0.000 0.840 262 D CB -0.117 40.711 40.800 0.046 0.000 0.947 262 D HN 0.332 nan 8.370 nan 0.000 0.452 263 Y N 0.529 120.766 120.300 -0.105 0.000 2.181 263 Y HA -0.050 4.513 4.550 0.023 0.000 0.288 263 Y C 1.993 177.844 175.900 -0.083 0.000 1.146 263 Y CA 1.377 59.437 58.100 -0.067 0.000 1.164 263 Y CB -0.265 38.109 38.460 -0.144 0.000 0.982 263 Y HN 0.036 nan 8.280 nan 0.000 0.515 264 L N -0.918 120.188 121.223 -0.194 0.000 2.156 264 L HA -0.200 4.149 4.340 0.016 0.000 0.208 264 L C 2.318 179.150 176.870 -0.064 0.000 1.095 264 L CA 1.312 56.026 54.840 -0.210 0.000 0.770 264 L CB -0.580 41.412 42.059 -0.112 0.000 0.914 264 L HN 0.395 nan 8.230 nan 0.000 0.439 265 H N -1.386 117.600 119.070 -0.140 0.000 2.317 265 H HA -0.068 4.494 4.556 0.010 0.000 0.304 265 H C 2.457 177.733 175.328 -0.086 0.000 1.067 265 H CA 1.162 57.162 56.048 -0.080 0.000 1.352 265 H CB 0.290 30.061 29.762 0.015 0.000 1.398 265 H HN 0.236 nan 8.280 nan 0.000 0.510 266 S N 0.382 116.114 115.700 0.054 0.000 2.345 266 S HA -0.099 4.381 4.470 0.016 0.000 0.219 266 S C 1.922 176.466 174.600 -0.093 0.000 1.031 266 S CA 0.942 59.139 58.200 -0.006 0.000 0.984 266 S CB 0.072 63.279 63.200 0.011 0.000 0.874 266 S HN 0.362 nan 8.310 nan 0.000 0.451 267 E N 1.040 121.105 120.200 -0.226 0.000 2.042 267 E HA 0.074 4.433 4.350 0.016 0.000 0.189 267 E C 1.674 178.108 176.600 -0.277 0.000 0.974 267 E CA 0.847 57.069 56.400 -0.296 0.000 0.806 267 E CB -0.076 29.277 29.700 -0.578 0.000 0.769 267 E HN 0.178 nan 8.360 nan 0.000 0.451 268 K N 0.647 120.837 120.400 -0.350 0.000 2.361 268 K HA 0.061 4.390 4.320 0.016 0.000 0.194 268 K C 0.369 176.873 176.600 -0.161 0.000 1.032 268 K CA -0.136 55.996 56.287 -0.258 0.000 1.048 268 K CB -0.328 31.972 32.500 -0.334 0.000 0.842 268 K HN 0.184 nan 8.250 nan 0.000 0.526 269 N N 1.084 119.708 118.700 -0.128 0.000 2.725 269 N HA -0.179 4.571 4.740 0.016 0.000 0.251 269 N C -0.936 174.511 175.510 -0.104 0.000 1.031 269 N CA 0.622 53.619 53.050 -0.088 0.000 0.720 269 N CB -0.907 37.541 38.487 -0.066 0.000 0.930 269 N HN 0.024 nan 8.380 nan 0.000 0.543 270 V N -2.018 117.836 119.914 -0.100 0.000 2.789 270 V HA 0.789 4.919 4.120 0.016 0.000 0.311 270 V C 0.645 176.711 176.094 -0.047 0.000 1.073 270 V CA -0.812 61.424 62.300 -0.106 0.000 0.921 270 V CB 1.812 33.568 31.823 -0.112 0.000 1.009 270 V HN 0.129 nan 8.190 nan 0.000 0.426 271 V N 2.297 122.162 119.914 -0.082 0.000 2.607 271 V HA 0.461 4.591 4.120 0.016 0.000 0.289 271 V C 0.789 176.906 176.094 0.038 0.000 1.053 271 V CA 0.000 62.294 62.300 -0.010 0.000 0.996 271 V CB 0.900 32.711 31.823 -0.020 0.000 0.995 271 V HN 1.009 nan 8.190 nan 0.000 0.476 272 Y N 3.816 124.080 120.300 -0.060 0.000 2.262 272 Y HA 0.193 4.751 4.550 0.013 0.000 0.295 272 Y C 2.254 178.109 175.900 -0.075 0.000 1.121 272 Y CA 1.485 59.536 58.100 -0.082 0.000 1.144 272 Y CB -0.013 38.384 38.460 -0.105 0.000 1.043 272 Y HN 0.915 nan 8.280 nan 0.000 0.528 273 R N -0.604 119.834 120.500 -0.103 0.000 3.884 273 R HA -0.263 4.086 4.340 0.016 0.000 0.464 273 R C -0.163 175.986 176.300 -0.253 0.000 0.963 273 R CA 1.470 57.456 56.100 -0.190 0.000 1.408 273 R CB -1.902 28.262 30.300 -0.227 0.000 2.054 273 R HN 0.479 nan 8.270 nan 0.000 0.522 274 D N 0.089 120.196 120.400 -0.488 0.000 2.462 274 D HA 0.160 4.809 4.640 0.016 0.000 0.221 274 D C -0.521 175.757 176.300 -0.036 0.000 1.173 274 D CA -0.277 53.496 54.000 -0.378 0.000 0.831 274 D CB 0.338 40.754 40.800 -0.640 0.000 1.001 274 D HN 0.050 nan 8.370 nan 0.000 0.499 275 L N 2.289 123.615 121.223 0.172 0.000 2.562 275 L HA 0.171 4.521 4.340 0.016 0.000 0.271 275 L C 0.022 176.861 176.870 -0.052 0.000 1.167 275 L CA 0.837 55.796 54.840 0.198 0.000 0.917 275 L CB -0.374 41.800 42.059 0.191 0.000 1.187 275 L HN 0.066 nan 8.230 nan 0.000 0.482 276 K N 2.837 123.082 120.400 -0.259 0.000 2.551 276 K HA 0.260 4.590 4.320 0.016 0.000 0.269 276 K C 0.134 176.440 176.600 -0.491 0.000 0.949 276 K CA -0.947 54.781 56.287 -0.931 0.000 0.849 276 K CB 0.926 32.782 32.500 -1.073 0.000 1.411 276 K HN 0.257 nan 8.250 nan 0.000 0.432 277 L N 1.502 122.468 121.223 -0.430 0.000 2.129 277 L HA -0.156 4.193 4.340 0.016 0.000 0.212 277 L C 1.454 178.319 176.870 -0.009 0.000 1.087 277 L CA 2.046 56.882 54.840 -0.008 0.000 0.757 277 L CB -0.346 41.874 42.059 0.268 0.000 0.896 277 L HN 0.834 nan 8.230 nan 0.000 0.434 278 E N -1.277 118.851 120.200 -0.121 0.000 2.481 278 E HA -0.038 4.322 4.350 0.016 0.000 0.195 278 E C 1.149 177.705 176.600 -0.073 0.000 1.047 278 E CA 0.305 56.629 56.400 -0.127 0.000 0.867 278 E CB -0.136 29.387 29.700 -0.295 0.000 0.858 278 E HN 0.365 nan 8.360 nan 0.000 0.513 279 N N 0.004 118.659 118.700 -0.075 0.000 2.270 279 N HA 0.119 4.869 4.740 0.016 0.000 0.198 279 N C -0.776 174.720 175.510 -0.024 0.000 1.117 279 N CA 0.200 53.237 53.050 -0.020 0.000 0.845 279 N CB 0.416 38.916 38.487 0.022 0.000 0.980 279 N HN 0.117 nan 8.380 nan 0.000 0.486 280 L N 0.858 122.065 121.223 -0.025 0.000 2.294 280 L HA 0.473 4.823 4.340 0.016 0.000 0.283 280 L C -0.022 176.846 176.870 -0.003 0.000 1.015 280 L CA -0.208 54.621 54.840 -0.018 0.000 0.831 280 L CB 1.220 43.266 42.059 -0.021 0.000 1.217 280 L HN -0.158 nan 8.230 nan 0.000 0.420 281 M N 3.363 122.967 119.600 0.007 0.000 2.753 281 M HA 0.603 5.092 4.480 0.016 0.000 0.299 281 M C -0.666 175.683 176.300 0.082 0.000 1.219 281 M CA -0.719 54.593 55.300 0.019 0.000 0.900 281 M CB 2.232 34.809 32.600 -0.039 0.000 1.628 281 M HN 0.383 nan 8.290 nan 0.000 0.502 282 L N 0.633 121.925 121.223 0.116 0.000 2.334 282 L HA 0.407 4.757 4.340 0.016 0.000 0.273 282 L C -0.447 176.493 176.870 0.116 0.000 1.013 282 L CA -1.079 53.867 54.840 0.177 0.000 0.816 282 L CB 1.562 43.763 42.059 0.237 0.000 1.278 282 L HN 0.696 nan 8.230 nan 0.000 0.431 283 D N 0.929 121.417 120.400 0.147 0.000 2.376 283 D HA 0.027 4.677 4.640 0.016 0.000 0.268 283 D C 0.844 177.202 176.300 0.097 0.000 1.252 283 D CA -0.454 53.608 54.000 0.102 0.000 1.041 283 D CB 0.458 41.336 40.800 0.131 0.000 1.109 283 D HN 0.568 nan 8.370 nan 0.000 0.552 284 K N -1.188 119.257 120.400 0.076 0.000 2.283 284 K HA -0.093 4.236 4.320 0.016 0.000 0.202 284 K C 0.392 177.024 176.600 0.054 0.000 1.048 284 K CA 1.161 57.483 56.287 0.058 0.000 0.948 284 K CB -0.155 32.373 32.500 0.045 0.000 0.742 284 K HN 0.262 nan 8.250 nan 0.000 0.458 285 D N 0.128 120.583 120.400 0.092 0.000 2.354 285 D HA 0.050 4.699 4.640 0.016 0.000 0.209 285 D C 0.965 177.269 176.300 0.007 0.000 1.015 285 D CA 0.963 55.008 54.000 0.074 0.000 0.867 285 D CB 0.947 41.857 40.800 0.184 0.000 0.933 285 D HN 0.533 nan 8.370 nan 0.000 0.520 286 G N 1.000 109.841 108.800 0.068 0.000 2.163 286 G HA2 -0.187 3.783 3.960 0.016 0.000 0.213 286 G HA3 -0.187 3.783 3.960 0.016 0.000 0.213 286 G C 0.197 175.183 174.900 0.143 0.000 0.991 286 G CA -0.433 44.708 45.100 0.068 0.000 0.653 286 G HN 0.333 nan 8.290 nan 0.000 0.518 287 H N 0.237 119.485 119.070 0.298 0.000 2.551 287 H HA 0.373 4.940 4.556 0.018 0.000 0.358 287 H C 1.125 176.638 175.328 0.307 0.000 1.151 287 H CA -0.272 55.995 56.048 0.365 0.000 1.374 287 H CB 0.946 30.923 29.762 0.358 0.000 1.473 287 H HN 0.044 nan 8.280 nan 0.000 0.574 288 I N 2.202 122.989 120.570 0.362 0.000 2.752 288 I HA -0.098 4.081 4.170 0.016 0.000 0.287 288 I C 0.622 176.895 176.117 0.261 0.000 1.188 288 I CA 0.619 62.062 61.300 0.237 0.000 1.427 288 I CB 0.103 38.120 38.000 0.029 0.000 1.365 288 I HN 0.288 nan 8.210 nan 0.000 0.585 289 K N 7.138 127.626 120.400 0.147 0.000 2.690 289 K HA 0.450 4.779 4.320 0.016 0.000 0.243 289 K C -0.693 175.908 176.600 0.002 0.000 0.982 289 K CA -0.519 55.821 56.287 0.088 0.000 0.955 289 K CB 1.746 34.277 32.500 0.052 0.000 1.185 289 K HN 0.431 nan 8.250 nan 0.000 0.467 290 I N 3.120 123.666 120.570 -0.040 0.000 2.533 290 I HA -0.026 4.154 4.170 0.016 0.000 0.284 290 I C 1.326 177.349 176.117 -0.157 0.000 1.109 290 I CA 0.261 61.478 61.300 -0.139 0.000 1.412 290 I CB 0.613 38.434 38.000 -0.297 0.000 1.396 290 I HN 0.512 nan 8.210 nan 0.000 0.543 291 T N 1.086 115.541 114.554 -0.165 0.000 2.849 291 T HA 0.228 4.587 4.350 0.016 0.000 0.284 291 T C -0.198 174.336 174.700 -0.277 0.000 1.004 291 T CA -0.710 61.175 62.100 -0.358 0.000 1.021 291 T CB 1.749 70.330 68.868 -0.479 0.000 1.013 291 T HN 0.556 nan 8.240 nan 0.000 0.527 292 D N -0.061 120.017 120.400 -0.536 0.000 2.656 292 D HA 0.264 4.914 4.640 0.016 0.000 0.303 292 D C -0.897 175.320 176.300 -0.139 0.000 1.199 292 D CA -0.732 53.165 54.000 -0.171 0.000 0.797 292 D CB -0.592 40.219 40.800 0.018 0.000 1.170 292 D HN 0.604 nan 8.370 nan 0.000 0.509 293 F N 0.024 120.026 119.950 0.087 0.000 2.668 293 F HA 0.356 4.894 4.527 0.019 0.000 0.301 293 F C 1.688 177.508 175.800 0.034 0.000 1.106 293 F CA -0.932 57.103 58.000 0.059 0.000 1.289 293 F CB 1.197 40.230 39.000 0.055 0.000 1.006 293 F HN 0.247 nan 8.300 nan 0.000 0.535 294 G N 1.432 110.330 108.800 0.164 0.000 2.254 294 G HA2 0.191 4.160 3.960 0.016 0.000 0.253 294 G HA3 0.191 4.160 3.960 0.016 0.000 0.253 294 G C 0.514 175.480 174.900 0.110 0.000 1.246 294 G CA 0.015 45.172 45.100 0.094 0.000 0.946 294 G HN 0.438 nan 8.290 nan 0.000 0.474 295 L N 1.550 122.821 121.223 0.080 0.000 2.717 295 L HA 0.249 4.599 4.340 0.016 0.000 0.239 295 L C 1.537 178.394 176.870 -0.023 0.000 1.086 295 L CA -0.041 54.846 54.840 0.079 0.000 0.897 295 L CB 0.566 42.654 42.059 0.048 0.000 1.214 295 L HN 0.690 nan 8.230 nan 0.000 0.508 296 C N -1.301 117.950 119.300 -0.083 0.000 3.427 296 C HA 0.068 4.538 4.460 0.016 0.000 0.116 296 C C -0.063 174.862 174.990 -0.108 0.000 2.712 296 C CA -0.419 58.484 59.018 -0.191 0.000 0.807 296 C CB 0.235 27.716 27.740 -0.433 0.000 1.572 296 C HN 0.187 nan 8.230 nan 0.000 0.637 297 K N 2.055 122.382 120.400 -0.121 0.000 2.187 297 K HA 0.417 4.746 4.320 0.016 0.000 0.242 297 K C -0.414 176.186 176.600 -0.001 0.000 1.179 297 K CA 0.655 56.907 56.287 -0.058 0.000 1.097 297 K CB -0.601 31.846 32.500 -0.089 0.000 1.634 297 K HN 0.714 nan 8.250 nan 0.000 0.335 314 E N -0.166 120.093 120.200 0.099 0.000 2.265 314 E HA -0.049 4.311 4.350 0.016 0.000 0.196 314 E C 1.243 177.800 176.600 -0.072 0.000 0.996 314 E CA 1.137 57.548 56.400 0.019 0.000 0.832 314 E CB -0.332 29.341 29.700 -0.045 0.000 0.756 314 E HN 0.542 nan 8.360 nan 0.000 0.491 315 Y N -0.947 119.442 120.300 0.148 0.000 2.458 315 Y HA 0.139 4.699 4.550 0.017 0.000 0.254 315 Y C 0.274 176.311 175.900 0.229 0.000 1.120 315 Y CA -0.506 57.711 58.100 0.195 0.000 1.282 315 Y CB 0.575 39.108 38.460 0.122 0.000 1.109 315 Y HN -0.058 nan 8.280 nan 0.000 0.526 316 L N 0.564 121.875 121.223 0.148 0.000 2.395 316 L HA 0.441 4.790 4.340 0.016 0.000 0.269 316 L C 0.647 177.319 176.870 -0.331 0.000 1.133 316 L CA -0.856 53.921 54.840 -0.105 0.000 0.812 316 L CB 0.278 42.122 42.059 -0.358 0.000 1.125 316 L HN 0.061 nan 8.230 nan 0.000 0.452 317 A N 5.062 127.450 122.820 -0.720 0.000 2.287 317 A HA 0.533 4.863 4.320 0.016 0.000 0.273 317 A C -1.544 175.466 177.584 -0.958 0.000 1.091 317 A CA -0.992 50.125 52.037 -1.534 0.000 0.817 317 A CB -0.224 18.068 19.000 -1.179 0.000 1.069 317 A HN 0.675 nan 8.150 nan 0.000 0.492 318 P HA -0.209 nan 4.420 nan 0.000 0.215 318 P C 1.223 178.293 177.300 -0.383 0.000 1.157 318 P CA 1.746 64.505 63.100 -0.568 0.000 0.874 318 P CB 0.014 31.423 31.700 -0.485 0.000 0.790 319 E N -0.256 119.743 120.200 -0.335 0.000 2.333 319 E HA -0.090 4.269 4.350 0.016 0.000 0.198 319 E C 1.635 178.136 176.600 -0.164 0.000 1.007 319 E CA 1.141 57.433 56.400 -0.179 0.000 0.845 319 E CB -1.072 28.577 29.700 -0.085 0.000 0.766 319 E HN 0.140 nan 8.360 nan 0.000 0.507 320 V N 1.189 120.931 119.914 -0.286 0.000 2.685 320 V HA -0.068 4.061 4.120 0.016 0.000 0.244 320 V C 2.427 178.376 176.094 -0.243 0.000 1.054 320 V CA 0.681 62.804 62.300 -0.295 0.000 1.076 320 V CB -0.289 31.273 31.823 -0.435 0.000 0.725 320 V HN 0.171 nan 8.190 nan 0.000 0.467 321 L N -0.330 120.700 121.223 -0.322 0.000 2.291 321 L HA -0.036 4.314 4.340 0.016 0.000 0.214 321 L C 2.230 178.922 176.870 -0.296 0.000 1.120 321 L CA 1.278 55.902 54.840 -0.361 0.000 0.799 321 L CB -0.324 41.434 42.059 -0.503 0.000 0.925 321 L HN 0.373 nan 8.230 nan 0.000 0.446 322 E N -0.862 119.203 120.200 -0.224 0.000 2.447 322 E HA -0.125 4.235 4.350 0.016 0.000 0.195 322 E C 0.006 176.551 176.600 -0.092 0.000 1.028 322 E CA 0.004 56.311 56.400 -0.155 0.000 0.876 322 E CB 0.386 30.007 29.700 -0.131 0.000 0.885 322 E HN 0.210 nan 8.360 nan 0.000 0.500 323 D N 0.600 120.957 120.400 -0.071 0.000 3.017 323 D HA -0.128 4.521 4.640 0.016 0.000 0.220 323 D C -0.511 175.800 176.300 0.018 0.000 1.141 323 D CA 0.401 54.397 54.000 -0.006 0.000 0.848 323 D CB -1.224 39.567 40.800 -0.016 0.000 1.102 323 D HN 0.115 nan 8.370 nan 0.000 0.427 324 N N 0.616 119.321 118.700 0.008 0.000 2.418 324 N HA 0.183 4.932 4.740 0.016 0.000 0.283 324 N C -0.250 175.275 175.510 0.024 0.000 1.267 324 N CA -0.116 52.934 53.050 0.001 0.000 0.975 324 N CB 0.316 38.796 38.487 -0.012 0.000 1.167 324 N HN 0.036 nan 8.380 nan 0.000 0.581 325 D N 0.374 120.751 120.400 -0.039 0.000 2.425 325 D HA 0.095 4.745 4.640 0.016 0.000 0.247 325 D C -0.210 176.111 176.300 0.035 0.000 1.147 325 D CA 0.678 54.614 54.000 -0.108 0.000 0.879 325 D CB -0.125 40.622 40.800 -0.088 0.000 1.179 325 D HN 0.399 nan 8.370 nan 0.000 0.456 326 Y N -0.746 119.546 120.300 -0.015 0.000 2.605 326 Y HA 0.754 5.313 4.550 0.014 0.000 0.343 326 Y C 0.140 176.111 175.900 0.120 0.000 1.036 326 Y CA -1.099 57.024 58.100 0.039 0.000 1.065 326 Y CB 1.398 39.872 38.460 0.024 0.000 1.288 326 Y HN 0.384 nan 8.280 nan 0.000 0.481 327 G N 0.882 109.848 108.800 0.277 0.000 3.100 327 G HA2 0.256 4.226 3.960 0.016 0.000 0.174 327 G HA3 0.256 4.226 3.960 0.016 0.000 0.174 327 G C -0.192 174.774 174.900 0.109 0.000 1.136 327 G CA -1.109 44.084 45.100 0.156 0.000 0.881 327 G HN 0.552 nan 8.290 nan 0.000 0.616 328 R N 0.250 120.738 120.500 -0.020 0.000 2.280 328 R HA 0.151 4.500 4.340 0.016 0.000 0.207 328 R C 2.458 178.748 176.300 -0.016 0.000 1.043 328 R CA 0.990 56.966 56.100 -0.207 0.000 1.006 328 R CB -0.091 30.028 30.300 -0.301 0.000 0.885 328 R HN 0.362 nan 8.270 nan 0.000 0.467 329 A N 0.993 123.914 122.820 0.168 0.000 2.014 329 A HA -0.086 4.244 4.320 0.016 0.000 0.218 329 A C 2.243 179.958 177.584 0.218 0.000 1.163 329 A CA 1.215 53.436 52.037 0.307 0.000 0.652 329 A CB -0.406 18.762 19.000 0.280 0.000 0.808 329 A HN 0.248 nan 8.150 nan 0.000 0.449 330 V N -2.179 117.800 119.914 0.109 0.000 2.759 330 V HA -0.168 3.962 4.120 0.016 0.000 0.256 330 V C 1.519 177.661 176.094 0.080 0.000 1.080 330 V CA 2.414 64.746 62.300 0.053 0.000 1.101 330 V CB -0.681 31.081 31.823 -0.101 0.000 0.698 330 V HN 0.347 nan 8.190 nan 0.000 0.477 331 D N -0.046 120.318 120.400 -0.060 0.000 2.162 331 D HA -0.057 4.593 4.640 0.016 0.000 0.203 331 D C 1.795 178.021 176.300 -0.123 0.000 0.967 331 D CA 1.645 55.533 54.000 -0.188 0.000 0.840 331 D CB -0.260 40.268 40.800 -0.454 0.000 0.972 331 D HN 0.741 nan 8.370 nan 0.000 0.482 332 W N 0.377 121.832 121.300 0.258 0.000 2.453 332 W HA -0.023 4.644 4.660 0.012 0.000 0.289 332 W C 2.335 178.996 176.519 0.237 0.000 1.215 332 W CA -0.452 57.024 57.345 0.217 0.000 1.297 332 W CB -0.438 29.142 29.460 0.200 0.000 1.113 332 W HN 0.022 nan 8.180 nan 0.000 0.551 333 W N 1.711 123.185 121.300 0.290 0.000 2.302 333 W HA -0.231 4.437 4.660 0.014 0.000 0.320 333 W C 1.940 178.577 176.519 0.197 0.000 1.241 333 W CA 2.542 60.007 57.345 0.199 0.000 1.264 333 W CB -1.101 28.428 29.460 0.114 0.000 1.154 333 W HN -0.013 nan 8.180 nan 0.000 0.483 334 G N 1.128 110.175 108.800 0.413 0.000 2.448 334 G HA2 -0.282 3.687 3.960 0.016 0.000 0.219 334 G HA3 -0.282 3.687 3.960 0.016 0.000 0.219 334 G C 1.420 176.464 174.900 0.240 0.000 1.127 334 G CA 0.937 46.231 45.100 0.324 0.000 0.766 334 G HN 0.325 nan 8.290 nan 0.000 0.552 335 L N 1.500 122.875 121.223 0.252 0.000 2.012 335 L HA 0.111 4.460 4.340 0.016 0.000 0.210 335 L C 2.809 179.797 176.870 0.195 0.000 1.073 335 L CA 2.412 57.413 54.840 0.268 0.000 0.748 335 L CB -0.958 41.355 42.059 0.424 0.000 0.891 335 L HN 0.153 nan 8.230 nan 0.000 0.431 336 G N -0.966 107.908 108.800 0.123 0.000 2.476 336 G HA2 -0.247 3.723 3.960 0.016 0.000 0.218 336 G HA3 -0.247 3.723 3.960 0.016 0.000 0.218 336 G C 1.504 176.398 174.900 -0.010 0.000 1.164 336 G CA 1.300 46.401 45.100 0.002 0.000 0.768 336 G HN 0.354 nan 8.290 nan 0.000 0.560 337 V N 0.271 120.146 119.914 -0.065 0.000 2.307 337 V HA -0.142 3.987 4.120 0.016 0.000 0.245 337 V C 3.020 179.218 176.094 0.173 0.000 1.045 337 V CA 1.405 63.695 62.300 -0.018 0.000 1.024 337 V CB -0.370 31.441 31.823 -0.019 0.000 0.651 337 V HN 0.243 nan 8.190 nan 0.000 0.449 338 V N -0.618 119.459 119.914 0.272 0.000 2.343 338 V HA -0.314 3.815 4.120 0.016 0.000 0.247 338 V C 2.326 178.556 176.094 0.226 0.000 1.051 338 V CA 2.347 64.824 62.300 0.295 0.000 1.036 338 V CB -0.496 31.477 31.823 0.249 0.000 0.654 338 V HN 0.459 nan 8.190 nan 0.000 0.451 339 M N -1.764 117.955 119.600 0.197 0.000 2.288 339 M HA -0.108 4.382 4.480 0.016 0.000 0.266 339 M C 2.196 178.568 176.300 0.119 0.000 1.072 339 M CA 1.630 57.028 55.300 0.162 0.000 1.132 339 M CB -0.341 32.334 32.600 0.124 0.000 1.386 339 M HN 0.485 nan 8.290 nan 0.000 0.432 340 Y N 1.159 121.454 120.300 -0.008 0.000 2.200 340 Y HA -0.241 4.319 4.550 0.015 0.000 0.290 340 Y C 2.223 178.102 175.900 -0.035 0.000 1.137 340 Y CA 2.044 60.122 58.100 -0.038 0.000 1.163 340 Y CB -0.270 38.132 38.460 -0.097 0.000 0.988 340 Y HN 0.264 nan 8.280 nan 0.000 0.518 341 E N -0.320 120.043 120.200 0.272 0.000 2.110 341 E HA -0.218 4.141 4.350 0.016 0.000 0.193 341 E C 2.118 178.722 176.600 0.007 0.000 0.988 341 E CA 1.470 57.965 56.400 0.159 0.000 0.804 341 E CB -0.165 29.633 29.700 0.163 0.000 0.745 341 E HN 0.563 nan 8.360 nan 0.000 0.458 342 M N -0.408 119.221 119.600 0.048 0.000 2.099 342 M HA -0.115 4.374 4.480 0.016 0.000 0.262 342 M C 2.236 178.543 176.300 0.011 0.000 1.067 342 M CA 1.376 56.701 55.300 0.042 0.000 1.124 342 M CB -0.051 32.711 32.600 0.271 0.000 1.353 342 M HN 0.201 nan 8.290 nan 0.000 0.410 343 M N -1.527 118.065 119.600 -0.014 0.000 2.558 343 M HA -0.074 4.415 4.480 0.016 0.000 0.255 343 M C 1.290 177.494 176.300 -0.160 0.000 1.113 343 M CA 0.498 55.767 55.300 -0.052 0.000 1.097 343 M CB 0.089 32.636 32.600 -0.089 0.000 1.426 343 M HN 0.406 nan 8.290 nan 0.000 0.488 344 C N -1.358 117.791 119.300 -0.252 0.000 3.449 344 C HA 0.413 4.883 4.460 0.016 0.000 0.404 344 C C 1.764 176.645 174.990 -0.182 0.000 1.383 344 C CA 0.269 59.107 59.018 -0.299 0.000 1.936 344 C CB 0.366 27.713 27.740 -0.655 0.000 2.738 344 C HN 0.744 nan 8.230 nan 0.000 0.663 345 G N 1.852 110.554 108.800 -0.163 0.000 2.217 345 G HA2 -0.217 3.752 3.960 0.016 0.000 0.246 345 G HA3 -0.217 3.752 3.960 0.016 0.000 0.246 345 G C 0.092 174.925 174.900 -0.113 0.000 0.990 345 G CA 0.421 45.428 45.100 -0.156 0.000 0.627 345 G HN 0.727 nan 8.290 nan 0.000 0.522 346 R N -0.251 120.223 120.500 -0.044 0.000 2.795 346 R HA 0.778 5.128 4.340 0.016 0.000 0.275 346 R C -0.021 176.333 176.300 0.089 0.000 0.981 346 R CA -1.209 54.889 56.100 -0.002 0.000 0.917 346 R CB 1.230 31.535 30.300 0.010 0.000 1.202 346 R HN 0.154 nan 8.270 nan 0.000 0.469 347 L N 2.458 123.676 121.223 -0.008 0.000 2.514 347 L HA 0.071 4.420 4.340 0.016 0.000 0.280 347 L C -1.100 175.643 176.870 -0.213 0.000 1.223 347 L CA -1.288 53.508 54.840 -0.074 0.000 0.864 347 L CB 0.533 42.547 42.059 -0.075 0.000 1.118 347 L HN 0.596 nan 8.230 nan 0.000 0.494 348 P HA -0.121 nan 4.420 nan 0.000 0.219 348 P C -0.176 176.433 177.300 -1.152 0.000 1.150 348 P CA 1.319 63.585 63.100 -1.390 0.000 0.814 348 P CB 0.181 30.762 31.700 -1.865 0.000 0.787 349 F N -0.735 119.087 119.950 -0.214 0.000 2.716 349 F HA 0.440 4.976 4.527 0.015 0.000 0.354 349 F C -0.372 175.441 175.800 0.022 0.000 1.168 349 F CA -1.085 56.864 58.000 -0.084 0.000 1.045 349 F CB 1.092 40.066 39.000 -0.043 0.000 1.311 349 F HN -0.208 nan 8.300 nan 0.000 0.477 350 Y N 3.133 123.449 120.300 0.026 0.000 2.534 350 Y HA 0.633 5.192 4.550 0.015 0.000 0.345 350 Y C -1.369 174.525 175.900 -0.010 0.000 1.031 350 Y CA -0.981 57.121 58.100 0.005 0.000 1.022 350 Y CB 1.836 40.284 38.460 -0.019 0.000 1.292 350 Y HN 0.618 nan 8.280 nan 0.000 0.459 351 N N 3.516 121.653 118.700 -0.938 0.000 2.647 351 N HA 0.044 4.793 4.740 0.016 0.000 0.259 351 N C -0.276 174.717 175.510 -0.861 0.000 1.098 351 N CA -0.144 52.498 53.050 -0.680 0.000 0.984 351 N CB 1.899 40.200 38.487 -0.310 0.000 1.683 351 N HN 0.905 nan 8.380 nan 0.000 0.501 352 Q N 0.751 120.225 119.800 -0.544 0.000 2.181 352 Q HA -0.071 4.278 4.340 0.016 0.000 0.205 352 Q C -0.043 175.681 176.000 -0.460 0.000 0.980 352 Q CA 1.362 56.928 55.803 -0.395 0.000 0.862 352 Q CB -0.109 28.528 28.738 -0.170 0.000 0.905 352 Q HN 0.511 nan 8.270 nan 0.000 0.429 353 D N -0.389 119.783 120.400 -0.380 0.000 2.308 353 D HA 0.008 4.658 4.640 0.016 0.000 0.251 353 D C 0.385 176.448 176.300 -0.396 0.000 1.127 353 D CA -0.246 53.537 54.000 -0.361 0.000 0.876 353 D CB 0.709 41.382 40.800 -0.212 0.000 1.176 353 D HN 0.144 nan 8.370 nan 0.000 0.446 354 H N 2.742 121.623 119.070 -0.314 0.000 2.436 354 H HA 0.003 4.568 4.556 0.016 0.000 0.294 354 H C 1.147 176.098 175.328 -0.628 0.000 1.048 354 H CA 0.881 56.594 56.048 -0.558 0.000 1.353 354 H CB 0.315 29.798 29.762 -0.465 0.000 1.414 354 H HN 0.635 nan 8.280 nan 0.000 0.536 355 E N 0.571 120.681 120.200 -0.151 0.000 2.208 355 E HA -0.098 4.261 4.350 0.016 0.000 0.193 355 E C 1.955 178.529 176.600 -0.043 0.000 0.988 355 E CA 0.671 57.058 56.400 -0.022 0.000 0.828 355 E CB 0.217 29.931 29.700 0.024 0.000 0.763 355 E HN 0.250 nan 8.360 nan 0.000 0.478 356 K N 0.370 120.704 120.400 -0.109 0.000 2.116 356 K HA -0.075 4.254 4.320 0.016 0.000 0.203 356 K C 1.934 178.473 176.600 -0.101 0.000 1.052 356 K CA 0.330 56.564 56.287 -0.088 0.000 0.952 356 K CB -0.040 32.394 32.500 -0.110 0.000 0.729 356 K HN -0.008 nan 8.250 nan 0.000 0.446 357 L N 0.375 121.471 121.223 -0.211 0.000 2.017 357 L HA -0.101 4.248 4.340 0.016 0.000 0.208 357 L C 1.654 178.488 176.870 -0.060 0.000 1.073 357 L CA 1.756 56.477 54.840 -0.199 0.000 0.745 357 L CB -0.447 41.408 42.059 -0.339 0.000 0.894 357 L HN 0.183 nan 8.230 nan 0.000 0.432 358 F N -0.592 119.337 119.950 -0.035 0.000 2.234 358 F HA -0.152 4.385 4.527 0.016 0.000 0.299 358 F C 2.616 178.370 175.800 -0.077 0.000 1.087 358 F CA 0.841 58.798 58.000 -0.071 0.000 1.340 358 F CB -0.255 38.713 39.000 -0.054 0.000 1.031 358 F HN 0.232 nan 8.300 nan 0.000 0.500 359 E N 0.898 121.174 120.200 0.126 0.000 2.106 359 E HA -0.169 4.191 4.350 0.016 0.000 0.192 359 E C 2.194 178.820 176.600 0.043 0.000 0.984 359 E CA 0.926 57.364 56.400 0.063 0.000 0.806 359 E CB -0.111 29.615 29.700 0.044 0.000 0.750 359 E HN 0.234 nan 8.360 nan 0.000 0.458 360 L N 1.233 122.488 121.223 0.053 0.000 1.994 360 L HA -0.145 4.204 4.340 0.016 0.000 0.208 360 L C 2.586 179.474 176.870 0.030 0.000 1.071 360 L CA 1.360 56.271 54.840 0.119 0.000 0.745 360 L CB -1.160 41.017 42.059 0.197 0.000 0.892 360 L HN 0.194 nan 8.230 nan 0.000 0.431 361 I N -1.090 119.370 120.570 -0.183 0.000 2.226 361 I HA -0.331 3.848 4.170 0.016 0.000 0.245 361 I C 2.348 178.273 176.117 -0.320 0.000 1.100 361 I CA 1.165 62.117 61.300 -0.579 0.000 1.374 361 I CB -0.200 37.586 38.000 -0.358 0.000 1.057 361 I HN 0.204 nan 8.210 nan 0.000 0.413 362 L N -0.828 120.299 121.223 -0.159 0.000 2.109 362 L HA -0.133 4.216 4.340 0.016 0.000 0.207 362 L C 2.287 179.134 176.870 -0.039 0.000 1.086 362 L CA 0.909 55.679 54.840 -0.115 0.000 0.760 362 L CB -0.247 41.763 42.059 -0.082 0.000 0.910 362 L HN 0.272 nan 8.230 nan 0.000 0.437 363 M N -1.921 117.679 119.600 0.001 0.000 2.740 363 M HA 0.201 4.691 4.480 0.016 0.000 0.253 363 M C 0.568 176.909 176.300 0.069 0.000 1.341 363 M CA 0.631 55.951 55.300 0.033 0.000 1.176 363 M CB 0.147 32.765 32.600 0.030 0.000 1.310 363 M HN 0.016 nan 8.290 nan 0.000 0.531 364 E N 1.831 122.097 120.200 0.109 0.000 2.222 364 E HA 0.254 4.613 4.350 0.016 0.000 0.272 364 E C -0.298 176.404 176.600 0.170 0.000 0.982 364 E CA -0.348 56.127 56.400 0.126 0.000 0.842 364 E CB 1.613 31.387 29.700 0.123 0.000 1.144 364 E HN 0.311 nan 8.360 nan 0.000 0.397 365 E N 1.900 122.155 120.200 0.092 0.000 2.391 365 E HA 0.237 4.597 4.350 0.016 0.000 0.255 365 E C -0.381 176.198 176.600 -0.036 0.000 1.187 365 E CA -0.407 56.023 56.400 0.051 0.000 0.941 365 E CB 0.937 30.648 29.700 0.017 0.000 1.010 365 E HN 0.416 nan 8.360 nan 0.000 0.458 366 I N 0.654 121.130 120.570 -0.157 0.000 2.404 366 I HA 0.342 4.522 4.170 0.016 0.000 0.293 366 I C -0.640 175.158 176.117 -0.532 0.000 0.992 366 I CA -0.937 60.105 61.300 -0.430 0.000 1.149 366 I CB 0.983 38.656 38.000 -0.545 0.000 1.315 366 I HN 0.550 nan 8.210 nan 0.000 0.446 367 R N 6.319 126.543 120.500 -0.461 0.000 2.407 367 R HA 0.489 4.839 4.340 0.016 0.000 0.303 367 R C -1.613 174.442 176.300 -0.408 0.000 0.981 367 R CA -0.525 55.362 56.100 -0.353 0.000 0.905 367 R CB 1.578 31.787 30.300 -0.151 0.000 1.099 367 R HN 0.425 nan 8.270 nan 0.000 0.459 368 F N 3.175 123.139 119.950 0.023 0.000 2.436 368 F HA 0.352 4.888 4.527 0.015 0.000 0.340 368 F C -1.363 174.406 175.800 -0.053 0.000 1.113 368 F CA -2.578 55.405 58.000 -0.029 0.000 1.022 368 F CB 0.722 39.699 39.000 -0.039 0.000 1.128 368 F HN 0.320 nan 8.300 nan 0.000 0.466 369 P HA 0.138 nan 4.420 nan 0.000 0.269 369 P C 0.417 177.741 177.300 0.040 0.000 1.215 369 P CA -0.322 62.793 63.100 0.025 0.000 0.780 369 P CB 0.963 32.645 31.700 -0.031 0.000 0.898 370 R N 0.426 120.939 120.500 0.021 0.000 2.237 370 R HA -0.060 4.289 4.340 0.016 0.000 0.219 370 R C 1.985 178.286 176.300 0.001 0.000 1.080 370 R CA 1.716 57.826 56.100 0.017 0.000 0.995 370 R CB -1.068 29.239 30.300 0.011 0.000 0.875 370 R HN 0.707 nan 8.270 nan 0.000 0.462 371 T N -0.678 113.872 114.554 -0.007 0.000 2.881 371 T HA -0.107 4.253 4.350 0.016 0.000 0.270 371 T C 1.001 175.688 174.700 -0.020 0.000 1.068 371 T CA 0.385 62.477 62.100 -0.013 0.000 1.131 371 T CB -0.164 68.694 68.868 -0.016 0.000 0.871 371 T HN -0.071 nan 8.240 nan 0.000 0.479 372 L N 2.812 124.015 121.223 -0.033 0.000 2.418 372 L HA 0.538 4.887 4.340 0.016 0.000 0.274 372 L C 1.086 177.910 176.870 -0.077 0.000 1.135 372 L CA -0.323 54.476 54.840 -0.069 0.000 0.870 372 L CB 0.016 42.007 42.059 -0.114 0.000 1.154 372 L HN 0.386 nan 8.230 nan 0.000 0.462 373 G N 5.774 114.544 108.800 -0.050 0.000 2.667 373 G HA2 0.242 4.211 3.960 0.016 0.000 0.250 373 G HA3 0.242 4.211 3.960 0.016 0.000 0.250 373 G C -1.724 173.132 174.900 -0.073 0.000 1.212 373 G CA -0.471 44.608 45.100 -0.034 0.000 0.874 373 G HN 0.674 nan 8.290 nan 0.000 0.561 374 P HA -0.059 nan 4.420 nan 0.000 0.217 374 P C 1.043 178.319 177.300 -0.041 0.000 1.151 374 P CA 1.180 64.242 63.100 -0.063 0.000 0.828 374 P CB 0.366 32.047 31.700 -0.031 0.000 0.788 375 E N 0.585 120.805 120.200 0.033 0.000 2.072 375 E HA -0.061 4.298 4.350 0.016 0.000 0.191 375 E C 2.334 178.976 176.600 0.070 0.000 0.985 375 E CA 1.442 57.928 56.400 0.144 0.000 0.801 375 E CB -1.059 28.778 29.700 0.227 0.000 0.750 375 E HN 0.183 nan 8.360 nan 0.000 0.452 376 A N 1.571 124.365 122.820 -0.042 0.000 1.972 376 A HA -0.228 4.101 4.320 0.016 0.000 0.219 376 A C 1.953 179.252 177.584 -0.475 0.000 1.169 376 A CA 1.849 53.633 52.037 -0.421 0.000 0.635 376 A CB -0.402 18.429 19.000 -0.282 0.000 0.810 376 A HN 0.294 nan 8.150 nan 0.000 0.446 377 K N -1.620 118.505 120.400 -0.459 0.000 2.284 377 K HA 0.130 4.459 4.320 0.016 0.000 0.198 377 K C 1.972 178.306 176.600 -0.443 0.000 1.048 377 K CA 1.057 56.877 56.287 -0.779 0.000 0.987 377 K CB -0.318 31.417 32.500 -1.275 0.000 0.800 377 K HN 0.172 nan 8.250 nan 0.000 0.486 378 S N 1.066 116.642 115.700 -0.207 0.000 2.399 378 S HA -0.113 4.367 4.470 0.016 0.000 0.231 378 S C 1.859 176.422 174.600 -0.061 0.000 1.022 378 S CA 0.893 59.088 58.200 -0.007 0.000 0.983 378 S CB -0.239 63.063 63.200 0.170 0.000 0.803 378 S HN 0.415 nan 8.310 nan 0.000 0.480 379 L N 0.943 121.960 121.223 -0.344 0.000 2.095 379 L HA 0.234 4.583 4.340 0.016 0.000 0.204 379 L C 2.095 178.780 176.870 -0.307 0.000 1.080 379 L CA 1.480 55.917 54.840 -0.672 0.000 0.759 379 L CB -0.396 41.146 42.059 -0.861 0.000 0.914 379 L HN 0.337 nan 8.230 nan 0.000 0.439 380 L N -1.280 119.814 121.223 -0.215 0.000 2.109 380 L HA -0.128 4.221 4.340 0.016 0.000 0.207 380 L C 2.482 179.420 176.870 0.113 0.000 1.086 380 L CA 1.121 55.958 54.840 -0.004 0.000 0.760 380 L CB -0.605 41.558 42.059 0.172 0.000 0.910 380 L HN 0.210 nan 8.230 nan 0.000 0.437 381 S N 0.152 115.952 115.700 0.167 0.000 2.368 381 S HA -0.136 4.344 4.470 0.016 0.000 0.225 381 S C 1.999 176.676 174.600 0.127 0.000 1.030 381 S CA 1.333 59.664 58.200 0.219 0.000 0.999 381 S CB -0.562 62.767 63.200 0.215 0.000 0.844 381 S HN 0.607 nan 8.310 nan 0.000 0.459 382 G N 1.367 110.213 108.800 0.076 0.000 2.402 382 G HA2 -0.068 3.901 3.960 0.016 0.000 0.216 382 G HA3 -0.068 3.901 3.960 0.016 0.000 0.216 382 G C 1.302 176.263 174.900 0.102 0.000 1.162 382 G CA 0.361 45.513 45.100 0.086 0.000 0.777 382 G HN 0.433 nan 8.290 nan 0.000 0.539 383 L N -0.320 120.943 121.223 0.066 0.000 2.201 383 L HA 0.161 4.510 4.340 0.016 0.000 0.212 383 L C 1.955 178.892 176.870 0.113 0.000 1.105 383 L CA 0.481 55.390 54.840 0.114 0.000 0.775 383 L CB -0.071 42.034 42.059 0.075 0.000 0.913 383 L HN 0.154 nan 8.230 nan 0.000 0.440 384 L N -0.617 120.621 121.223 0.025 0.000 2.872 384 L HA 0.146 4.495 4.340 0.016 0.000 0.245 384 L C 0.400 177.394 176.870 0.206 0.000 1.211 384 L CA -0.284 54.464 54.840 -0.153 0.000 1.013 384 L CB 0.041 41.928 42.059 -0.287 0.000 1.326 384 L HN 0.016 nan 8.230 nan 0.000 0.525 385 K N 1.164 121.733 120.400 0.282 0.000 2.485 385 K HA 0.011 4.341 4.320 0.016 0.000 0.277 385 K C 0.831 177.684 176.600 0.420 0.000 0.990 385 K CA -0.002 56.461 56.287 0.293 0.000 0.994 385 K CB 1.028 33.658 32.500 0.217 0.000 0.906 385 K HN 0.017 nan 8.250 nan 0.000 0.488 386 K N 1.004 121.580 120.400 0.293 0.000 2.103 386 K HA -0.099 4.231 4.320 0.016 0.000 0.204 386 K C 0.480 177.125 176.600 0.075 0.000 1.052 386 K CA 0.861 57.251 56.287 0.172 0.000 0.945 386 K CB -0.043 32.513 32.500 0.093 0.000 0.722 386 K HN 0.540 nan 8.250 nan 0.000 0.443 387 D N 1.359 121.821 120.400 0.102 0.000 2.347 387 D HA 0.108 4.758 4.640 0.016 0.000 0.235 387 D C -1.953 174.406 176.300 0.099 0.000 1.149 387 D CA -2.560 51.483 54.000 0.071 0.000 0.850 387 D CB 1.654 42.493 40.800 0.065 0.000 1.061 387 D HN -0.211 nan 8.370 nan 0.000 0.487 388 P HA -0.161 nan 4.420 nan 0.000 0.216 388 P C 0.709 178.081 177.300 0.121 0.000 1.153 388 P CA 1.492 64.662 63.100 0.116 0.000 0.858 388 P CB 0.215 31.968 31.700 0.088 0.000 0.789 389 K N -0.897 119.556 120.400 0.088 0.000 2.504 389 K HA -0.073 4.257 4.320 0.016 0.000 0.195 389 K C 1.920 178.568 176.600 0.081 0.000 1.036 389 K CA 0.833 57.166 56.287 0.078 0.000 0.984 389 K CB -0.107 32.425 32.500 0.052 0.000 0.788 389 K HN 0.303 nan 8.250 nan 0.000 0.488 390 Q N -0.175 119.682 119.800 0.094 0.000 2.350 390 Q HA 0.077 4.427 4.340 0.016 0.000 0.225 390 Q C 0.158 176.229 176.000 0.119 0.000 0.878 390 Q CA -0.228 55.631 55.803 0.095 0.000 0.935 390 Q CB 0.712 29.503 28.738 0.089 0.000 1.099 390 Q HN 0.103 nan 8.270 nan 0.000 0.527 391 R N 1.708 122.300 120.500 0.153 0.000 2.522 391 R HA 0.020 4.370 4.340 0.016 0.000 0.284 391 R C -0.435 175.958 176.300 0.154 0.000 1.032 391 R CA -0.233 55.983 56.100 0.193 0.000 1.049 391 R CB 0.249 30.713 30.300 0.273 0.000 0.956 391 R HN 0.016 nan 8.270 nan 0.000 0.422 392 L N 5.514 126.809 121.223 0.120 0.000 2.700 392 L HA 0.020 4.370 4.340 0.016 0.000 0.276 392 L C 1.137 177.985 176.870 -0.037 0.000 1.200 392 L CA 2.250 57.118 54.840 0.046 0.000 0.951 392 L CB 0.482 42.559 42.059 0.031 0.000 1.226 392 L HN 0.986 nan 8.230 nan 0.000 0.489 393 G N 2.725 111.451 108.800 -0.122 0.000 2.232 393 G HA2 -0.235 3.735 3.960 0.016 0.000 0.226 393 G HA3 -0.235 3.735 3.960 0.016 0.000 0.226 393 G C 0.836 175.796 174.900 0.099 0.000 0.996 393 G CA 0.129 45.025 45.100 -0.340 0.000 0.626 393 G HN 1.228 nan 8.290 nan 0.000 0.509 394 G N 0.812 109.726 108.800 0.190 0.000 2.985 394 G HA2 0.505 4.475 3.960 0.016 0.000 0.209 394 G HA3 0.505 4.475 3.960 0.016 0.000 0.209 394 G C 0.988 175.973 174.900 0.141 0.000 1.165 394 G CA 1.200 46.438 45.100 0.230 0.000 0.776 394 G HN 1.157 nan 8.290 nan 0.000 0.541 395 G N 0.013 108.870 108.800 0.095 0.000 2.563 395 G HA2 0.332 4.302 3.960 0.016 0.000 0.283 395 G HA3 0.332 4.302 3.960 0.016 0.000 0.283 395 G C 1.446 176.386 174.900 0.066 0.000 1.309 395 G CA 0.613 45.752 45.100 0.065 0.000 1.022 395 G HN 0.390 nan 8.290 nan 0.000 0.501 396 S N -1.544 114.183 115.700 0.046 0.000 2.423 396 S HA -0.086 4.393 4.470 0.016 0.000 0.231 396 S C 1.591 176.217 174.600 0.044 0.000 1.014 396 S CA 1.732 59.958 58.200 0.042 0.000 0.965 396 S CB -0.159 63.058 63.200 0.028 0.000 0.785 396 S HN 0.659 nan 8.310 nan 0.000 0.495 397 E N 0.582 120.801 120.200 0.031 0.000 2.478 397 E HA 0.110 4.469 4.350 0.016 0.000 0.194 397 E C 0.636 177.252 176.600 0.026 0.000 1.045 397 E CA 0.329 56.740 56.400 0.018 0.000 0.868 397 E CB -0.041 29.654 29.700 -0.007 0.000 0.885 397 E HN 0.608 nan 8.360 nan 0.000 0.505 398 D N -0.111 120.326 120.400 0.062 0.000 3.845 398 D HA -0.366 4.284 4.640 0.016 0.000 0.144 398 D C 1.054 177.329 176.300 -0.042 0.000 0.889 398 D CA 2.285 56.381 54.000 0.160 0.000 1.096 398 D CB -1.223 39.754 40.800 0.295 0.000 0.515 398 D HN 0.115 nan 8.370 nan 0.000 0.525 399 A N -0.693 122.158 122.820 0.053 0.000 2.125 399 A HA -0.055 4.274 4.320 0.016 0.000 0.219 399 A C 1.988 179.343 177.584 -0.380 0.000 1.156 399 A CA 2.372 54.256 52.037 -0.255 0.000 0.671 399 A CB -0.397 18.626 19.000 0.038 0.000 0.794 399 A HN 0.411 nan 8.150 nan 0.000 0.459 400 K N 0.294 120.556 120.400 -0.231 0.000 2.097 400 K HA -0.140 4.189 4.320 0.016 0.000 0.205 400 K C 1.900 178.383 176.600 -0.195 0.000 1.050 400 K CA 1.548 57.699 56.287 -0.227 0.000 0.938 400 K CB -0.108 32.318 32.500 -0.123 0.000 0.718 400 K HN 0.840 nan 8.250 nan 0.000 0.442 401 E N 0.065 120.165 120.200 -0.167 0.000 2.347 401 E HA -0.136 4.224 4.350 0.016 0.000 0.196 401 E C 1.411 177.967 176.600 -0.074 0.000 1.008 401 E CA 0.731 57.075 56.400 -0.093 0.000 0.852 401 E CB -0.073 29.589 29.700 -0.064 0.000 0.783 401 E HN 0.084 nan 8.360 nan 0.000 0.505 402 I N 1.617 122.050 120.570 -0.229 0.000 2.162 402 I HA -0.197 3.983 4.170 0.016 0.000 0.238 402 I C 2.518 178.673 176.117 0.062 0.000 1.076 402 I CA 1.405 62.631 61.300 -0.123 0.000 1.353 402 I CB -0.395 37.349 38.000 -0.428 0.000 1.063 402 I HN 0.118 nan 8.210 nan 0.000 0.408 403 M N -0.626 118.785 119.600 -0.314 0.000 2.255 403 M HA -0.292 4.198 4.480 0.016 0.000 0.259 403 M C 1.594 178.024 176.300 0.217 0.000 1.071 403 M CA 1.722 56.792 55.300 -0.382 0.000 1.074 403 M CB -0.481 31.456 32.600 -1.106 0.000 1.384 403 M HN 0.340 nan 8.290 nan 0.000 0.415 404 Q N -1.439 118.448 119.800 0.146 0.000 2.247 404 Q HA 0.092 4.442 4.340 0.016 0.000 0.211 404 Q C 0.432 176.556 176.000 0.206 0.000 0.861 404 Q CA -0.214 55.693 55.803 0.174 0.000 0.949 404 Q CB 0.343 29.121 28.738 0.066 0.000 1.115 404 Q HN 0.443 nan 8.270 nan 0.000 0.507 405 H N 0.828 120.026 119.070 0.214 0.000 2.757 405 H HA 0.102 4.667 4.556 0.015 0.000 0.370 405 H C 0.830 176.269 175.328 0.186 0.000 1.172 405 H CA 0.780 56.933 56.048 0.175 0.000 1.426 405 H CB 0.865 30.732 29.762 0.175 0.000 1.438 405 H HN 0.022 nan 8.280 nan 0.000 0.612 406 R N 2.280 122.667 120.500 -0.189 0.000 2.148 406 R HA -0.133 4.217 4.340 0.016 0.000 0.227 406 R C 1.916 178.308 176.300 0.153 0.000 1.103 406 R CA 1.006 57.097 56.100 -0.015 0.000 0.983 406 R CB -0.144 30.076 30.300 -0.134 0.000 0.874 406 R HN 0.543 nan 8.270 nan 0.000 0.451 407 F N -0.448 119.614 119.950 0.188 0.000 2.451 407 F HA -0.072 4.464 4.527 0.015 0.000 0.299 407 F C 0.613 176.294 175.800 -0.198 0.000 1.101 407 F CA 1.153 59.104 58.000 -0.082 0.000 1.436 407 F CB 0.171 39.007 39.000 -0.274 0.000 1.074 407 F HN -0.081 nan 8.300 nan 0.000 0.553 408 F N 0.469 120.528 119.950 0.182 0.000 2.639 408 F HA 0.434 4.973 4.527 0.020 0.000 0.300 408 F C 1.231 177.038 175.800 0.011 0.000 1.109 408 F CA -0.376 57.665 58.000 0.069 0.000 1.335 408 F CB -0.677 38.544 39.000 0.368 0.000 1.014 408 F HN -0.050 nan 8.300 nan 0.000 0.537 409 A N 0.384 123.273 122.820 0.115 0.000 2.561 409 A HA 0.359 4.689 4.320 0.016 0.000 0.234 409 A C 1.577 179.159 177.584 -0.002 0.000 1.055 409 A CA 1.052 53.125 52.037 0.059 0.000 0.756 409 A CB -0.539 18.468 19.000 0.011 0.000 0.986 409 A HN 0.914 nan 8.150 nan 0.000 0.505 410 G N 0.995 109.791 108.800 -0.007 0.000 2.299 410 G HA2 -0.234 3.736 3.960 0.016 0.000 0.237 410 G HA3 -0.234 3.736 3.960 0.016 0.000 0.237 410 G C 0.333 175.171 174.900 -0.104 0.000 1.027 410 G CA 0.234 45.305 45.100 -0.049 0.000 0.619 410 G HN 0.903 nan 8.290 nan 0.000 0.513 411 I N 1.712 122.185 120.570 -0.161 0.000 2.556 411 I HA 0.389 4.568 4.170 0.016 0.000 0.284 411 I C 0.736 176.596 176.117 -0.428 0.000 1.114 411 I CA -0.197 60.882 61.300 -0.369 0.000 1.418 411 I CB 1.500 39.102 38.000 -0.664 0.000 1.394 411 I HN 0.104 nan 8.210 nan 0.000 0.552 412 V N 7.019 126.662 119.914 -0.451 0.000 2.370 412 V HA 0.218 4.347 4.120 0.016 0.000 0.283 412 V C -0.184 175.700 176.094 -0.350 0.000 1.023 412 V CA -0.340 61.724 62.300 -0.394 0.000 0.857 412 V CB 1.272 32.748 31.823 -0.578 0.000 0.985 412 V HN 0.844 nan 8.190 nan 0.000 0.443 413 W N 2.575 123.823 121.300 -0.087 0.000 2.770 413 W HA 0.089 4.759 4.660 0.017 0.000 0.256 413 W C 2.193 178.759 176.519 0.078 0.000 1.291 413 W CA 0.352 57.696 57.345 -0.002 0.000 1.396 413 W CB 0.146 29.601 29.460 -0.008 0.000 1.114 413 W HN 0.549 nan 8.180 nan 0.000 0.637 414 Q N -0.284 119.648 119.800 0.220 0.000 2.226 414 Q HA -0.181 4.168 4.340 0.016 0.000 0.204 414 Q C 1.736 177.920 176.000 0.306 0.000 0.975 414 Q CA 1.513 57.446 55.803 0.215 0.000 0.866 414 Q CB -0.541 28.283 28.738 0.143 0.000 0.915 414 Q HN 0.595 nan 8.270 nan 0.000 0.440 415 H N -1.084 118.026 119.070 0.067 0.000 2.357 415 H HA -0.065 4.499 4.556 0.015 0.000 0.301 415 H C 2.184 177.542 175.328 0.051 0.000 1.082 415 H CA 1.075 57.141 56.048 0.031 0.000 1.342 415 H CB 0.437 30.181 29.762 -0.030 0.000 1.389 415 H HN 0.018 nan 8.280 nan 0.000 0.511 416 V N 0.760 120.781 119.914 0.178 0.000 2.343 416 V HA -0.314 3.815 4.120 0.016 0.000 0.247 416 V C 2.121 178.409 176.094 0.323 0.000 1.051 416 V CA 1.923 64.331 62.300 0.179 0.000 1.036 416 V CB -0.787 31.104 31.823 0.114 0.000 0.654 416 V HN 0.421 nan 8.190 nan 0.000 0.451 417 Y N 1.394 121.801 120.300 0.180 0.000 2.165 417 Y HA -0.266 4.291 4.550 0.011 0.000 0.286 417 Y C 2.419 178.204 175.900 -0.190 0.000 1.155 417 Y CA 2.180 60.263 58.100 -0.030 0.000 1.164 417 Y CB -0.029 38.414 38.460 -0.029 0.000 0.978 417 Y HN 0.361 nan 8.280 nan 0.000 0.513 418 E N -0.009 120.258 120.200 0.112 0.000 2.502 418 E HA -0.045 4.314 4.350 0.016 0.000 0.194 418 E C 0.228 176.764 176.600 -0.107 0.000 1.062 418 E CA 0.449 56.848 56.400 -0.002 0.000 0.867 418 E CB 0.088 29.818 29.700 0.051 0.000 0.888 418 E HN 0.318 nan 8.360 nan 0.000 0.510 419 K N -0.354 120.000 120.400 -0.077 0.000 3.251 419 K HA -0.230 4.099 4.320 0.016 0.000 0.282 419 K C 0.303 176.939 176.600 0.060 0.000 1.201 419 K CA 0.472 56.703 56.287 -0.092 0.000 0.827 419 K CB -1.078 31.156 32.500 -0.443 0.000 1.286 419 K HN 0.053 nan 8.250 nan 0.000 0.503 420 K N 0.522 120.958 120.400 0.059 0.000 2.525 420 K HA 0.073 4.402 4.320 0.016 0.000 0.192 420 K C 0.575 177.237 176.600 0.103 0.000 1.029 420 K CA 0.358 56.667 56.287 0.036 0.000 1.029 420 K CB 0.106 32.557 32.500 -0.082 0.000 0.814 420 K HN 0.242 nan 8.250 nan 0.000 0.503 421 L N 1.045 122.384 121.223 0.194 0.000 2.371 421 L HA 0.072 4.422 4.340 0.016 0.000 0.272 421 L C 0.489 177.552 176.870 0.321 0.000 1.124 421 L CA -0.387 54.594 54.840 0.234 0.000 0.816 421 L CB 1.405 43.580 42.059 0.193 0.000 1.129 421 L HN -0.058 nan 8.230 nan 0.000 0.448 422 S N 4.199 119.993 115.700 0.156 0.000 2.455 422 S HA 0.264 4.744 4.470 0.016 0.000 0.278 422 S C -2.257 172.155 174.600 -0.312 0.000 1.216 422 S CA -1.259 56.927 58.200 -0.024 0.000 1.055 422 S CB 0.457 63.615 63.200 -0.071 0.000 0.939 422 S HN 0.252 nan 8.310 nan 0.000 0.494 423 P HA 0.209 nan 4.420 nan 0.000 0.271 423 P C -2.060 174.779 177.300 -0.768 0.000 1.233 423 P CA -1.223 61.255 63.100 -1.036 0.000 0.764 423 P CB 0.368 31.700 31.700 -0.614 0.000 0.825 424 P HA -0.002 nan 4.420 nan 0.000 0.226 424 P C -0.285 176.880 177.300 -0.224 0.000 1.153 424 P CA 1.032 63.837 63.100 -0.491 0.000 0.777 424 P CB 0.152 31.537 31.700 -0.526 0.000 0.794 425 F N -0.033 119.680 119.950 -0.394 0.000 2.671 425 F HA 0.365 4.901 4.527 0.015 0.000 0.332 425 F C -0.752 174.909 175.800 -0.232 0.000 1.189 425 F CA -1.100 56.744 58.000 -0.261 0.000 0.988 425 F CB 1.445 40.313 39.000 -0.219 0.000 1.258 425 F HN -0.512 nan 8.300 nan 0.000 0.471 426 K N 7.157 127.239 120.400 -0.530 0.000 2.264 426 K HA 0.383 4.712 4.320 0.016 0.000 0.277 426 K C -2.565 173.741 176.600 -0.489 0.000 1.067 426 K CA -1.877 54.184 56.287 -0.378 0.000 0.900 426 K CB 1.137 33.468 32.500 -0.281 0.000 1.124 426 K HN 0.351 nan 8.250 nan 0.000 0.469 427 P HA 0.024 nan 4.420 nan 0.000 0.269 427 P C -0.518 176.716 177.300 -0.109 0.000 1.209 427 P CA -0.058 62.974 63.100 -0.114 0.000 0.776 427 P CB 0.491 32.224 31.700 0.055 0.000 0.876 428 Q N 1.484 121.244 119.800 -0.067 0.000 2.678 428 Q HA 0.314 4.664 4.340 0.016 0.000 0.222 428 Q C -0.388 175.614 176.000 0.003 0.000 1.281 428 Q CA -0.124 55.652 55.803 -0.044 0.000 0.994 428 Q CB 0.140 28.859 28.738 -0.031 0.000 1.452 428 Q HN 0.208 nan 8.270 nan 0.000 0.570 429 V N 0.000 119.914 119.914 0.000 0.000 2.409 429 V HA 0.000 4.130 4.120 0.016 0.000 0.244 429 V CA 0.000 62.311 62.300 0.018 0.000 1.235 429 V CB 0.000 31.842 31.823 0.032 0.000 1.184 429 V HN 0.000 nan 8.190 nan 0.000 0.556