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 1dgg_1_C DATA FIRST_RESID 5 DATA SEQUENCE RDPASDQMQH WKEQRAAQKA DVLTTGAGNP VGDKLNVITV GPRGPLLVQD DATA SEQUENCE VVFTDEMAHF DRERIPERVV HAKGAGAFGY FEVTHDITKY SKAKVFEHIG DATA SEQUENCE KKTPIAVRFS TVAGESGSAD TVRDPRGFAV KFYTEDGNWD LVGNNTPIFF DATA SEQUENCE IRDPILFPSF IHSQKRNPQT HLKDPDMVWD FWSLRPESLH QVSFLFSDRG DATA SEQUENCE IPDGHRHMNG YGSHTFKLVN ANGEAVYCKF HYKTDQGIKN LSVEDAARLS DATA SEQUENCE QEDPDYGIRD LFNAIATGKY PSWTFYIQVM TFNQAETFPF NPFDLTKVWP DATA SEQUENCE HKDYPLIPVG KLVLNRNPVN YFAEVEQIAF DPSNMPPGIE ASPDKMLQGR DATA SEQUENCE LFAYPDTHRH RLGPNYLHIP VNCPYRARVA NYQRDGPMCM QDNQGGAPNY DATA SEQUENCE YPNSFGAPEQ QPSALEHSIQ YSGEVRRFNT ANDDNVTQVR AFYVNVLNEE DATA SEQUENCE QRKRLCENIA GHLKDAQIFI QKKAVKNFTE VHPDYGSHIQ ALLDKYN 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.329 176.300 0.049 0.000 0.893 5 R CA 0.000 56.117 56.100 0.029 0.000 0.921 5 R CB 0.000 30.307 30.300 0.012 0.000 0.687 6 D N 1.454 121.881 120.400 0.045 0.000 2.362 6 D HA 0.125 4.765 4.640 -0.000 0.000 0.242 6 D C -1.738 174.621 176.300 0.098 0.000 1.132 6 D CA -1.339 52.703 54.000 0.071 0.000 0.907 6 D CB 0.718 41.552 40.800 0.056 0.000 1.195 6 D HN 0.068 nan 8.370 nan 0.000 0.429 7 P HA -0.167 nan 4.420 nan 0.000 0.216 7 P C 1.290 178.727 177.300 0.228 0.000 1.150 7 P CA 2.369 65.634 63.100 0.275 0.000 0.843 7 P CB 0.038 31.939 31.700 0.336 0.000 0.787 8 A N -0.851 122.053 122.820 0.140 0.000 1.902 8 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 8 A C 2.327 179.826 177.584 -0.141 0.000 1.181 8 A CA 2.134 54.085 52.037 -0.144 0.000 0.623 8 A CB -1.437 17.458 19.000 -0.175 0.000 0.818 8 A HN 0.137 nan 8.150 nan 0.000 0.443 9 S N 0.180 115.839 115.700 -0.069 0.000 2.402 9 S HA -0.092 4.378 4.470 -0.000 0.000 0.229 9 S C 0.951 175.491 174.600 -0.099 0.000 1.021 9 S CA 1.161 59.316 58.200 -0.075 0.000 0.974 9 S CB -0.264 62.910 63.200 -0.043 0.000 0.800 9 S HN 0.565 nan 8.310 nan 0.000 0.484 10 D N 1.189 121.507 120.400 -0.136 0.000 2.325 10 D HA 0.034 4.673 4.640 -0.000 0.000 0.234 10 D C 1.741 177.839 176.300 -0.337 0.000 1.122 10 D CA 0.021 53.834 54.000 -0.312 0.000 0.850 10 D CB -0.138 40.327 40.800 -0.559 0.000 0.921 10 D HN 0.265 nan 8.370 nan 0.000 0.513 11 Q N 0.571 120.302 119.800 -0.115 0.000 2.029 11 Q HA -0.191 4.149 4.340 -0.000 0.000 0.209 11 Q C 1.874 177.921 176.000 0.078 0.000 0.999 11 Q CA 1.331 57.146 55.803 0.019 0.000 0.857 11 Q CB -0.100 28.618 28.738 -0.034 0.000 0.926 11 Q HN 0.351 nan 8.270 nan 0.000 0.415 12 M N -0.052 119.561 119.600 0.020 0.000 2.159 12 M HA -0.184 4.295 4.480 -0.000 0.000 0.263 12 M C 2.252 178.644 176.300 0.153 0.000 1.063 12 M CA 1.271 56.620 55.300 0.082 0.000 1.110 12 M CB -0.286 32.318 32.600 0.006 0.000 1.374 12 M HN 0.152 nan 8.290 nan 0.000 0.411 13 Q N 0.011 119.830 119.800 0.032 0.000 2.020 13 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 13 Q C 1.967 178.063 176.000 0.160 0.000 0.982 13 Q CA 1.725 57.555 55.803 0.044 0.000 0.838 13 Q CB -0.555 28.140 28.738 -0.072 0.000 0.899 13 Q HN 0.570 nan 8.270 nan 0.000 0.423 14 H N -1.667 117.490 119.070 0.145 0.000 2.387 14 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 14 H C 1.642 177.053 175.328 0.139 0.000 1.090 14 H CA 1.119 57.245 56.048 0.128 0.000 1.332 14 H CB -0.710 29.136 29.762 0.141 0.000 1.386 14 H HN 0.382 nan 8.280 nan 0.000 0.516 15 W N 2.280 123.676 121.300 0.160 0.000 2.355 15 W HA -0.161 4.499 4.660 -0.000 0.000 0.309 15 W C 2.690 179.253 176.519 0.073 0.000 1.206 15 W CA 2.023 59.429 57.345 0.102 0.000 1.284 15 W CB -0.035 29.470 29.460 0.075 0.000 1.145 15 W HN 0.074 nan 8.180 nan 0.000 0.502 16 K N 0.459 121.059 120.400 0.334 0.000 2.063 16 K HA -0.252 4.068 4.320 -0.000 0.000 0.208 16 K C 1.788 178.384 176.600 -0.007 0.000 1.048 16 K CA 2.164 58.556 56.287 0.175 0.000 0.928 16 K CB -0.362 32.266 32.500 0.215 0.000 0.713 16 K HN 0.233 nan 8.250 nan 0.000 0.442 17 E N 0.322 120.545 120.200 0.038 0.000 2.106 17 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 17 E C 2.078 178.636 176.600 -0.069 0.000 0.984 17 E CA 1.068 57.474 56.400 0.010 0.000 0.806 17 E CB 0.043 29.790 29.700 0.078 0.000 0.750 17 E HN 0.422 nan 8.360 nan 0.000 0.458 18 Q N 0.209 119.931 119.800 -0.129 0.000 2.364 18 Q HA -0.073 4.267 4.340 -0.000 0.000 0.209 18 Q C 1.261 177.117 176.000 -0.241 0.000 0.977 18 Q CA 0.798 56.490 55.803 -0.185 0.000 0.885 18 Q CB 0.101 28.700 28.738 -0.231 0.000 0.941 18 Q HN 0.085 nan 8.270 nan 0.000 0.464 19 R N -0.717 119.608 120.500 -0.291 0.000 2.507 19 R HA 0.275 4.615 4.340 -0.000 0.000 0.298 19 R C 1.404 177.619 176.300 -0.141 0.000 0.999 19 R CA 0.311 56.255 56.100 -0.259 0.000 1.082 19 R CB 0.306 30.372 30.300 -0.390 0.000 1.246 19 R HN 0.136 nan 8.270 nan 0.000 0.553 20 A N 1.938 124.697 122.820 -0.102 0.000 1.883 20 A HA -0.407 3.913 4.320 -0.000 0.000 0.269 20 A C 2.125 179.683 177.584 -0.043 0.000 2.559 20 A CA 2.707 54.711 52.037 -0.055 0.000 0.908 20 A CB -1.286 17.687 19.000 -0.044 0.000 0.807 20 A HN 0.464 nan 8.150 nan 0.000 0.505 21 A N -1.768 121.026 122.820 -0.043 0.000 1.823 21 A HA 0.054 4.374 4.320 -0.000 0.000 0.214 21 A C 1.186 178.750 177.584 -0.033 0.000 1.227 21 A CA 1.413 53.431 52.037 -0.032 0.000 0.616 21 A CB -0.925 18.057 19.000 -0.031 0.000 0.874 21 A HN 0.813 nan 8.150 nan 0.000 0.455 22 Q N -0.336 119.439 119.800 -0.042 0.000 3.120 22 Q HA -0.184 4.156 4.340 -0.000 0.000 0.368 22 Q C -0.026 175.961 176.000 -0.022 0.000 1.306 22 Q CA 1.095 56.875 55.803 -0.039 0.000 0.806 22 Q CB 0.043 28.743 28.738 -0.064 0.000 1.338 22 Q HN 0.526 nan 8.270 nan 0.000 0.593 23 K N 1.484 121.878 120.400 -0.011 0.000 2.174 23 K HA 0.466 4.786 4.320 -0.000 0.000 0.275 23 K C -0.621 175.988 176.600 0.015 0.000 1.015 23 K CA 0.010 56.300 56.287 0.004 0.000 0.933 23 K CB 0.772 33.274 32.500 0.004 0.000 1.025 23 K HN 0.620 nan 8.250 nan 0.000 0.463 24 A N 3.948 126.788 122.820 0.032 0.000 2.498 24 A HA 0.050 4.370 4.320 -0.000 0.000 0.239 24 A C -0.288 177.326 177.584 0.049 0.000 1.068 24 A CA -0.168 51.904 52.037 0.057 0.000 0.766 24 A CB 0.097 19.140 19.000 0.071 0.000 1.003 24 A HN 0.858 nan 8.150 nan 0.000 0.497 25 D N 0.561 120.999 120.400 0.064 0.000 2.362 25 D HA 0.188 4.828 4.640 -0.000 0.000 0.238 25 D C 0.194 176.516 176.300 0.038 0.000 1.212 25 D CA 0.219 54.248 54.000 0.049 0.000 0.902 25 D CB 0.738 41.575 40.800 0.061 0.000 1.180 25 D HN 0.216 nan 8.370 nan 0.000 0.445 26 V N 2.125 122.054 119.914 0.025 0.000 2.555 26 V HA -0.022 4.098 4.120 -0.000 0.000 0.286 26 V C 0.455 176.558 176.094 0.015 0.000 1.044 26 V CA -0.520 61.791 62.300 0.018 0.000 1.026 26 V CB 1.054 32.884 31.823 0.012 0.000 0.981 26 V HN 0.284 nan 8.190 nan 0.000 0.480 27 L N 7.186 128.416 121.223 0.012 0.000 2.361 27 L HA 0.507 4.847 4.340 -0.000 0.000 0.278 27 L C 0.490 177.360 176.870 0.000 0.000 1.113 27 L CA 0.800 55.643 54.840 0.005 0.000 0.849 27 L CB 0.675 42.736 42.059 0.004 0.000 1.155 27 L HN 0.941 nan 8.230 nan 0.000 0.452 28 T N 0.657 115.207 114.554 -0.007 0.000 2.926 28 T HA 0.738 5.088 4.350 -0.000 0.000 0.289 28 T C 0.285 174.973 174.700 -0.019 0.000 1.054 28 T CA -0.153 61.941 62.100 -0.010 0.000 1.015 28 T CB 1.189 70.051 68.868 -0.009 0.000 1.167 28 T HN 0.745 nan 8.240 nan 0.000 0.526 29 T N -1.784 112.759 114.554 -0.017 0.000 2.770 29 T HA 0.480 4.830 4.350 -0.000 0.000 0.281 29 T C 1.837 176.515 174.700 -0.036 0.000 0.981 29 T CA -0.134 61.951 62.100 -0.024 0.000 0.955 29 T CB 0.122 68.982 68.868 -0.013 0.000 1.060 29 T HN 0.913 nan 8.240 nan 0.000 0.531 30 G N -0.127 108.646 108.800 -0.046 0.000 2.442 30 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.219 30 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.219 30 G C 1.488 176.369 174.900 -0.032 0.000 1.141 30 G CA 0.548 45.614 45.100 -0.056 0.000 0.763 30 G HN 1.114 nan 8.290 nan 0.000 0.554 31 A N -0.391 122.418 122.820 -0.019 0.000 2.259 31 A HA 0.479 4.799 4.320 -0.000 0.000 0.208 31 A C 1.980 179.558 177.584 -0.010 0.000 1.201 31 A CA 1.186 53.217 52.037 -0.010 0.000 0.824 31 A CB -0.508 18.489 19.000 -0.004 0.000 0.838 31 A HN 1.603 nan 8.150 nan 0.000 0.485 32 G N -0.506 108.286 108.800 -0.013 0.000 2.176 32 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.253 32 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.253 32 G C -0.084 174.813 174.900 -0.005 0.000 0.979 32 G CA 0.092 45.186 45.100 -0.010 0.000 0.641 32 G HN 0.667 nan 8.290 nan 0.000 0.530 33 N N 2.126 120.823 118.700 -0.004 0.000 2.470 33 N HA 0.467 5.207 4.740 -0.000 0.000 0.268 33 N C -2.603 172.907 175.510 0.000 0.000 1.136 33 N CA -1.186 51.864 53.050 -0.001 0.000 0.961 33 N CB 0.973 39.461 38.487 0.002 0.000 1.067 33 N HN 0.124 nan 8.380 nan 0.000 0.468 34 P HA -0.005 nan 4.420 nan 0.000 0.268 34 P C -0.774 176.529 177.300 0.005 0.000 1.205 34 P CA -0.024 63.078 63.100 0.003 0.000 0.771 34 P CB 0.693 32.396 31.700 0.004 0.000 0.858 35 V N 3.261 123.179 119.914 0.006 0.000 2.398 35 V HA 0.346 4.466 4.120 -0.000 0.000 0.286 35 V C 1.495 177.595 176.094 0.009 0.000 1.026 35 V CA 0.289 62.594 62.300 0.008 0.000 0.868 35 V CB 1.045 32.873 31.823 0.008 0.000 0.982 35 V HN 0.787 nan 8.190 nan 0.000 0.443 36 G N 2.790 111.596 108.800 0.010 0.000 2.395 36 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.214 36 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.214 36 G C 0.183 175.088 174.900 0.008 0.000 1.177 36 G CA 0.623 45.727 45.100 0.008 0.000 0.794 36 G HN 0.650 nan 8.290 nan 0.000 0.532 37 D N -1.317 119.089 120.400 0.010 0.000 2.616 37 D HA 0.243 4.883 4.640 -0.000 0.000 0.238 37 D C -0.223 176.086 176.300 0.014 0.000 1.354 37 D CA -0.542 53.463 54.000 0.009 0.000 0.970 37 D CB 1.326 42.129 40.800 0.005 0.000 1.369 37 D HN -0.006 nan 8.370 nan 0.000 0.585 38 K N 3.758 124.166 120.400 0.013 0.000 2.498 38 K HA 0.268 4.588 4.320 -0.000 0.000 0.207 38 K C 0.476 177.085 176.600 0.015 0.000 1.033 38 K CA -0.063 56.236 56.287 0.020 0.000 1.138 38 K CB 0.315 32.822 32.500 0.012 0.000 0.860 38 K HN 0.478 nan 8.250 nan 0.000 0.490 39 L N -0.247 120.981 121.223 0.008 0.000 2.858 39 L HA 0.246 4.586 4.340 -0.000 0.000 0.251 39 L C -0.746 176.120 176.870 -0.008 0.000 1.149 39 L CA -0.055 54.784 54.840 -0.001 0.000 0.955 39 L CB 0.468 42.524 42.059 -0.006 0.000 1.289 39 L HN 0.047 nan 8.230 nan 0.000 0.542 40 N N -1.283 117.413 118.700 -0.006 0.000 2.324 40 N HA 0.369 5.109 4.740 -0.000 0.000 0.285 40 N C -1.116 174.378 175.510 -0.027 0.000 1.076 40 N CA -0.342 52.694 53.050 -0.023 0.000 0.864 40 N CB 3.247 41.720 38.487 -0.022 0.000 1.632 40 N HN -0.274 nan 8.380 nan 0.000 0.478 41 V N 2.049 121.922 119.914 -0.068 0.000 3.036 41 V HA 0.425 4.545 4.120 -0.000 0.000 0.308 41 V C -0.194 175.853 176.094 -0.078 0.000 1.070 41 V CA -0.556 61.681 62.300 -0.105 0.000 1.056 41 V CB 0.991 32.656 31.823 -0.263 0.000 1.084 41 V HN 0.539 nan 8.190 nan 0.000 0.471 42 I N 4.047 124.577 120.570 -0.066 0.000 2.352 42 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 42 I C 0.323 176.407 176.117 -0.056 0.000 1.036 42 I CA 0.099 61.374 61.300 -0.042 0.000 1.336 42 I CB 1.040 39.031 38.000 -0.015 0.000 1.407 42 I HN 0.768 nan 8.210 nan 0.000 0.497 43 T N 2.496 117.022 114.554 -0.047 0.000 2.916 43 T HA 0.414 4.764 4.350 -0.000 0.000 0.292 43 T C -0.474 174.208 174.700 -0.030 0.000 1.064 43 T CA -0.803 61.270 62.100 -0.046 0.000 1.011 43 T CB 2.158 70.995 68.868 -0.052 0.000 1.152 43 T HN 0.222 nan 8.240 nan 0.000 0.510 44 V N 2.133 122.032 119.914 -0.026 0.000 2.322 44 V HA 0.611 4.731 4.120 -0.000 0.000 0.258 44 V C 0.650 176.734 176.094 -0.018 0.000 1.074 44 V CA 1.257 63.546 62.300 -0.018 0.000 0.909 44 V CB -0.776 31.038 31.823 -0.014 0.000 1.090 44 V HN 1.743 nan 8.190 nan 0.000 0.486 45 G N 6.918 115.707 108.800 -0.017 0.000 2.712 45 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 45 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 45 G C -1.747 173.141 174.900 -0.020 0.000 1.321 45 G CA -0.336 44.755 45.100 -0.016 0.000 0.813 45 G HN 0.560 nan 8.290 nan 0.000 0.599 46 P HA -0.118 nan 4.420 nan 0.000 0.216 46 P C 1.434 178.719 177.300 -0.025 0.000 1.154 46 P CA 1.694 64.781 63.100 -0.021 0.000 0.865 46 P CB 0.005 31.694 31.700 -0.017 0.000 0.789 47 R N -0.963 119.524 120.500 -0.022 0.000 2.696 47 R HA 0.352 4.691 4.340 -0.000 0.000 0.355 47 R C 0.861 177.146 176.300 -0.025 0.000 1.138 47 R CA -0.289 55.797 56.100 -0.024 0.000 1.059 47 R CB 0.560 30.848 30.300 -0.020 0.000 1.380 47 R HN 0.144 nan 8.270 nan 0.000 0.578 48 G N 1.559 110.343 108.800 -0.027 0.000 2.522 48 G HA2 0.437 4.397 3.960 -0.000 0.000 0.304 48 G HA3 0.437 4.397 3.960 -0.000 0.000 0.304 48 G C -2.498 172.381 174.900 -0.035 0.000 1.210 48 G CA -1.168 43.916 45.100 -0.026 0.000 0.960 48 G HN -0.100 nan 8.290 nan 0.000 0.497 49 P HA 0.245 nan 4.420 nan 0.000 0.274 49 P C -0.392 176.878 177.300 -0.049 0.000 1.256 49 P CA -0.675 62.402 63.100 -0.038 0.000 0.795 49 P CB 0.656 32.340 31.700 -0.026 0.000 1.038 50 L N 1.729 122.913 121.223 -0.065 0.000 2.349 50 L HA 0.224 4.564 4.340 -0.000 0.000 0.275 50 L C -0.927 175.917 176.870 -0.044 0.000 1.115 50 L CA 0.179 54.968 54.840 -0.086 0.000 0.820 50 L CB -0.373 41.598 42.059 -0.147 0.000 1.135 50 L HN 0.082 nan 8.230 nan 0.000 0.445 51 L N 6.062 127.266 121.223 -0.032 0.000 2.325 51 L HA 0.257 4.597 4.340 -0.000 0.000 0.279 51 L C 1.312 178.197 176.870 0.025 0.000 1.054 51 L CA -0.274 54.565 54.840 -0.002 0.000 0.804 51 L CB 1.480 43.539 42.059 -0.001 0.000 1.200 51 L HN 0.539 nan 8.230 nan 0.000 0.436 52 V N 2.344 122.279 119.914 0.036 0.000 2.594 52 V HA -0.249 3.871 4.120 -0.000 0.000 0.253 52 V C 2.250 178.381 176.094 0.060 0.000 1.069 52 V CA 1.415 63.750 62.300 0.058 0.000 1.082 52 V CB -0.483 31.367 31.823 0.045 0.000 0.680 52 V HN 0.821 nan 8.190 nan 0.000 0.469 53 Q N -0.510 119.315 119.800 0.042 0.000 2.308 53 Q HA -0.199 4.141 4.340 -0.000 0.000 0.209 53 Q C 1.083 177.114 176.000 0.052 0.000 0.985 53 Q CA 1.033 56.858 55.803 0.038 0.000 0.881 53 Q CB -0.160 28.593 28.738 0.025 0.000 0.917 53 Q HN 0.524 nan 8.270 nan 0.000 0.443 54 D N 0.430 120.872 120.400 0.071 0.000 2.541 54 D HA -0.030 4.610 4.640 -0.000 0.000 0.231 54 D C 1.028 177.412 176.300 0.141 0.000 1.163 54 D CA -0.091 53.971 54.000 0.102 0.000 1.077 54 D CB 0.624 41.489 40.800 0.110 0.000 1.110 54 D HN 0.078 nan 8.370 nan 0.000 0.499 55 V N 1.329 121.295 119.914 0.087 0.000 2.667 55 V HA -0.139 3.980 4.120 -0.000 0.000 0.252 55 V C 2.090 178.216 176.094 0.054 0.000 1.065 55 V CA 0.656 62.993 62.300 0.063 0.000 1.083 55 V CB -0.496 31.349 31.823 0.037 0.000 0.692 55 V HN 0.252 nan 8.190 nan 0.000 0.468 56 V N 0.323 120.279 119.914 0.071 0.000 2.295 56 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 56 V C 2.337 178.476 176.094 0.076 0.000 1.049 56 V CA 2.717 65.052 62.300 0.059 0.000 1.024 56 V CB -1.001 30.861 31.823 0.064 0.000 0.648 56 V HN 0.638 nan 8.190 nan 0.000 0.447 57 F N 1.666 121.616 119.950 -0.000 0.000 2.051 57 F HA -0.202 4.325 4.527 -0.000 0.000 0.296 57 F C 2.482 178.290 175.800 0.012 0.000 1.122 57 F CA 2.433 60.433 58.000 -0.001 0.000 1.201 57 F CB -0.974 38.024 39.000 -0.003 0.000 0.978 57 F HN 0.120 nan 8.300 nan 0.000 0.472 58 T N -0.083 114.331 114.554 -0.232 0.000 2.684 58 T HA -0.281 4.069 4.350 -0.000 0.000 0.267 58 T C 1.512 176.084 174.700 -0.213 0.000 1.036 58 T CA 1.883 63.807 62.100 -0.293 0.000 1.148 58 T CB -0.721 68.123 68.868 -0.040 0.000 0.863 58 T HN 0.478 nan 8.240 nan 0.000 0.436 59 D N 0.741 121.078 120.400 -0.105 0.000 2.116 59 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 59 D C 2.161 178.425 176.300 -0.060 0.000 0.998 59 D CA 1.574 55.539 54.000 -0.058 0.000 0.836 59 D CB -0.118 40.664 40.800 -0.030 0.000 0.951 59 D HN 0.563 nan 8.370 nan 0.000 0.449 60 E N -1.205 118.935 120.200 -0.100 0.000 2.072 60 E HA -0.182 4.168 4.350 -0.000 0.000 0.190 60 E C 2.002 178.563 176.600 -0.066 0.000 0.982 60 E CA 0.680 57.039 56.400 -0.068 0.000 0.803 60 E CB -0.138 29.518 29.700 -0.073 0.000 0.755 60 E HN 0.247 nan 8.360 nan 0.000 0.453 61 M N 1.010 120.454 119.600 -0.259 0.000 2.117 61 M HA -0.053 4.427 4.480 -0.000 0.000 0.262 61 M C 2.014 178.287 176.300 -0.045 0.000 1.065 61 M CA 1.836 57.003 55.300 -0.223 0.000 1.114 61 M CB -0.423 31.792 32.600 -0.642 0.000 1.361 61 M HN 0.175 nan 8.290 nan 0.000 0.408 62 A N -1.656 121.109 122.820 -0.090 0.000 1.933 62 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 62 A C 2.099 179.679 177.584 -0.006 0.000 1.175 62 A CA 2.179 54.192 52.037 -0.039 0.000 0.628 62 A CB -1.185 17.792 19.000 -0.040 0.000 0.814 62 A HN 0.751 nan 8.150 nan 0.000 0.444 63 H N -2.155 116.896 119.070 -0.032 0.000 2.403 63 H HA -0.030 4.526 4.556 -0.000 0.000 0.298 63 H C 1.621 176.944 175.328 -0.009 0.000 1.059 63 H CA 1.703 57.735 56.048 -0.026 0.000 1.363 63 H CB -0.246 29.501 29.762 -0.024 0.000 1.410 63 H HN 0.472 nan 8.280 nan 0.000 0.528 64 F N 1.345 121.280 119.950 -0.024 0.000 2.134 64 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 64 F C 1.574 177.310 175.800 -0.106 0.000 1.097 64 F CA 1.623 59.588 58.000 -0.059 0.000 1.264 64 F CB -0.302 38.672 39.000 -0.044 0.000 1.001 64 F HN 0.150 nan 8.300 nan 0.000 0.479 65 D N 0.251 120.548 120.400 -0.170 0.000 2.309 65 D HA -0.112 4.528 4.640 -0.000 0.000 0.212 65 D C 1.575 177.706 176.300 -0.281 0.000 0.968 65 D CA 1.030 54.880 54.000 -0.250 0.000 0.882 65 D CB -0.231 40.521 40.800 -0.081 0.000 0.918 65 D HN 0.428 nan 8.370 nan 0.000 0.503 66 R N -0.058 120.257 120.500 -0.307 0.000 2.577 66 R HA 0.197 4.537 4.340 -0.000 0.000 0.344 66 R C 1.239 177.323 176.300 -0.360 0.000 1.037 66 R CA -0.123 55.797 56.100 -0.300 0.000 1.102 66 R CB 0.587 30.720 30.300 -0.277 0.000 1.313 66 R HN 0.135 nan 8.270 nan 0.000 0.561 67 E N 0.925 120.885 120.200 -0.400 0.000 2.110 67 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 67 E C 0.263 176.701 176.600 -0.272 0.000 0.988 67 E CA 0.894 57.068 56.400 -0.377 0.000 0.804 67 E CB 0.240 29.736 29.700 -0.341 0.000 0.745 67 E HN 0.095 nan 8.360 nan 0.000 0.458 68 R N 1.327 121.711 120.500 -0.194 0.000 2.390 68 R HA 0.319 4.659 4.340 -0.000 0.000 0.291 68 R C 0.449 176.744 176.300 -0.009 0.000 1.070 68 R CA -0.122 55.938 56.100 -0.065 0.000 1.014 68 R CB 0.409 30.663 30.300 -0.077 0.000 1.007 68 R HN 0.183 nan 8.270 nan 0.000 0.466 69 I N -0.997 119.622 120.570 0.082 0.000 2.846 69 I HA 0.587 4.757 4.170 -0.000 0.000 0.307 69 I C -2.295 173.839 176.117 0.028 0.000 1.053 69 I CA -3.004 58.326 61.300 0.050 0.000 1.050 69 I CB 1.858 39.919 38.000 0.101 0.000 1.239 69 I HN 0.244 nan 8.210 nan 0.000 0.439 70 P HA 0.099 nan 4.420 nan 0.000 0.266 70 P C -0.886 176.430 177.300 0.026 0.000 1.195 70 P CA -0.094 63.005 63.100 -0.001 0.000 0.768 70 P CB 0.436 32.113 31.700 -0.038 0.000 0.838 71 E N 2.551 122.782 120.200 0.051 0.000 2.376 71 E HA 0.220 4.570 4.350 -0.000 0.000 0.254 71 E C -0.440 176.199 176.600 0.065 0.000 1.213 71 E CA -0.872 55.566 56.400 0.064 0.000 0.945 71 E CB 0.578 30.322 29.700 0.073 0.000 1.057 71 E HN 0.254 nan 8.360 nan 0.000 0.479 72 R N 0.371 120.917 120.500 0.077 0.000 2.623 72 R HA -0.009 4.331 4.340 -0.000 0.000 0.271 72 R C 1.041 177.386 176.300 0.076 0.000 1.043 72 R CA -0.031 56.118 56.100 0.081 0.000 1.083 72 R CB 0.765 31.134 30.300 0.116 0.000 0.974 72 R HN 0.513 nan 8.270 nan 0.000 0.436 73 V N 3.710 123.658 119.914 0.058 0.000 2.392 73 V HA -0.128 3.992 4.120 -0.000 0.000 0.249 73 V C 0.574 176.709 176.094 0.068 0.000 1.059 73 V CA 1.818 64.149 62.300 0.052 0.000 1.051 73 V CB 0.225 32.067 31.823 0.033 0.000 0.658 73 V HN 0.554 nan 8.190 nan 0.000 0.455 74 V N -4.421 115.567 119.914 0.122 0.000 3.078 74 V HA 0.586 4.706 4.120 -0.000 0.000 0.311 74 V C 0.220 176.492 176.094 0.296 0.000 1.138 74 V CA -0.631 61.778 62.300 0.181 0.000 1.007 74 V CB 1.468 33.478 31.823 0.312 0.000 1.045 74 V HN 0.472 nan 8.190 nan 0.000 0.432 75 H N 0.296 119.426 119.070 0.100 0.000 2.862 75 H HA -0.226 4.330 4.556 -0.000 0.000 0.290 75 H C 1.536 176.926 175.328 0.102 0.000 1.211 75 H CA 0.731 56.847 56.048 0.114 0.000 1.140 75 H CB -1.130 28.711 29.762 0.133 0.000 1.341 75 H HN 1.193 nan 8.280 nan 0.000 0.392 76 A N 0.699 123.613 122.820 0.156 0.000 1.877 76 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 76 A C 1.556 179.228 177.584 0.146 0.000 1.186 76 A CA 1.638 53.755 52.037 0.132 0.000 0.620 76 A CB -0.027 19.026 19.000 0.089 0.000 0.822 76 A HN 0.234 nan 8.150 nan 0.000 0.443 77 K N 0.257 120.738 120.400 0.134 0.000 2.284 77 K HA 0.498 4.818 4.320 -0.000 0.000 0.287 77 K C 0.021 176.739 176.600 0.195 0.000 1.081 77 K CA 0.672 57.050 56.287 0.151 0.000 0.910 77 K CB 0.368 32.936 32.500 0.114 0.000 1.088 77 K HN 0.363 nan 8.250 nan 0.000 0.478 78 G N 1.325 110.271 108.800 0.244 0.000 2.749 78 G HA2 0.787 4.747 3.960 -0.000 0.000 0.300 78 G HA3 0.787 4.747 3.960 -0.000 0.000 0.300 78 G C -1.697 173.406 174.900 0.337 0.000 1.352 78 G CA -0.475 44.777 45.100 0.254 0.000 0.789 78 G HN 0.707 nan 8.290 nan 0.000 0.509 79 A N -1.529 121.448 122.820 0.262 0.000 2.515 79 A HA 0.957 5.277 4.320 -0.000 0.000 0.298 79 A C -0.117 177.570 177.584 0.172 0.000 1.059 79 A CA 0.069 52.307 52.037 0.335 0.000 0.698 79 A CB 1.794 21.031 19.000 0.395 0.000 1.289 79 A HN 1.987 nan 8.150 nan 0.000 0.404 80 G N -0.792 108.086 108.800 0.130 0.000 2.605 80 G HA2 0.955 4.915 3.960 -0.000 0.000 0.296 80 G HA3 0.955 4.915 3.960 -0.000 0.000 0.296 80 G C -0.621 174.240 174.900 -0.064 0.000 1.304 80 G CA -0.081 44.969 45.100 -0.083 0.000 0.941 80 G HN 2.079 nan 8.290 nan 0.000 0.475 81 A N -0.689 121.928 122.820 -0.337 0.000 2.586 81 A HA 0.830 5.150 4.320 -0.000 0.000 0.290 81 A C -1.993 175.192 177.584 -0.664 0.000 1.086 81 A CA -0.705 51.181 52.037 -0.252 0.000 0.665 81 A CB 0.939 19.954 19.000 0.026 0.000 1.279 81 A HN 0.739 nan 8.150 nan 0.000 0.423 82 F N -0.515 119.449 119.950 0.024 0.000 2.593 82 F HA 0.854 5.381 4.527 -0.000 0.000 0.320 82 F C 0.949 176.752 175.800 0.005 0.000 1.060 82 F CA 0.535 58.545 58.000 0.017 0.000 0.940 82 F CB 2.666 41.681 39.000 0.024 0.000 1.268 82 F HN 1.171 nan 8.300 nan 0.000 0.475 83 G N 0.283 109.198 108.800 0.191 0.000 2.565 83 G HA2 0.455 4.415 3.960 -0.000 0.000 0.142 83 G HA3 0.455 4.415 3.960 -0.000 0.000 0.142 83 G C -2.087 172.932 174.900 0.199 0.000 1.181 83 G CA -0.287 44.884 45.100 0.118 0.000 1.066 83 G HN 0.803 nan 8.290 nan 0.000 0.530 84 Y N -1.600 118.742 120.300 0.070 0.000 2.670 84 Y HA 0.825 5.375 4.550 -0.000 0.000 0.334 84 Y C -1.779 174.206 175.900 0.141 0.000 1.185 84 Y CA -2.141 56.015 58.100 0.093 0.000 1.053 84 Y CB 1.676 40.175 38.460 0.066 0.000 1.298 84 Y HN 0.787 nan 8.280 nan 0.000 0.459 85 F N 1.946 122.012 119.950 0.195 0.000 2.482 85 F HA 0.624 5.151 4.527 -0.000 0.000 0.331 85 F C -0.886 175.082 175.800 0.280 0.000 1.115 85 F CA -0.795 57.286 58.000 0.134 0.000 0.955 85 F CB 1.757 40.854 39.000 0.162 0.000 1.136 85 F HN 0.764 nan 8.300 nan 0.000 0.452 86 E N 5.474 125.368 120.200 -0.510 0.000 2.199 86 E HA 0.497 4.847 4.350 -0.000 0.000 0.265 86 E C -1.567 174.623 176.600 -0.684 0.000 0.882 86 E CA -0.908 55.257 56.400 -0.391 0.000 0.759 86 E CB 1.986 31.706 29.700 0.034 0.000 1.148 86 E HN 0.557 nan 8.360 nan 0.000 0.412 87 V N 4.020 123.651 119.914 -0.472 0.000 2.572 87 V HA 0.064 4.184 4.120 -0.000 0.000 0.291 87 V C 1.255 177.308 176.094 -0.068 0.000 1.039 87 V CA 0.727 62.902 62.300 -0.209 0.000 1.055 87 V CB 0.992 32.832 31.823 0.028 0.000 0.969 87 V HN 0.964 nan 8.190 nan 0.000 0.482 88 T N 0.353 114.921 114.554 0.022 0.000 2.955 88 T HA 0.253 4.603 4.350 -0.000 0.000 0.251 88 T C 0.421 175.017 174.700 -0.174 0.000 1.002 88 T CA 0.118 62.206 62.100 -0.020 0.000 0.970 88 T CB 0.116 69.026 68.868 0.071 0.000 1.091 88 T HN 0.661 nan 8.240 nan 0.000 0.495 89 H N 0.235 119.340 119.070 0.060 0.000 2.907 89 H HA 0.675 5.231 4.556 -0.000 0.000 0.361 89 H C -1.468 173.904 175.328 0.073 0.000 1.194 89 H CA -0.942 55.147 56.048 0.068 0.000 1.152 89 H CB 1.388 31.197 29.762 0.078 0.000 1.867 89 H HN -0.000 nan 8.280 nan 0.000 0.561 90 D N 1.713 122.220 120.400 0.178 0.000 2.359 90 D HA 0.145 4.785 4.640 -0.000 0.000 0.230 90 D C 0.221 176.566 176.300 0.074 0.000 1.118 90 D CA -0.330 53.729 54.000 0.099 0.000 0.844 90 D CB 0.526 41.360 40.800 0.056 0.000 1.059 90 D HN 0.631 nan 8.370 nan 0.000 0.493 91 I N 0.991 121.593 120.570 0.053 0.000 3.707 91 I HA 0.166 4.336 4.170 -0.000 0.000 0.330 91 I C 1.298 177.409 176.117 -0.009 0.000 1.572 91 I CA -0.464 60.861 61.300 0.041 0.000 1.104 91 I CB 0.322 38.382 38.000 0.100 0.000 1.240 91 I HN 0.130 nan 8.210 nan 0.000 0.475 92 T N -1.047 113.490 114.554 -0.028 0.000 3.007 92 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 92 T C 1.610 176.262 174.700 -0.081 0.000 1.107 92 T CA 1.389 63.474 62.100 -0.025 0.000 1.118 92 T CB -0.398 68.445 68.868 -0.043 0.000 0.889 92 T HN 0.709 nan 8.240 nan 0.000 0.506 93 K N -0.133 120.141 120.400 -0.209 0.000 2.365 93 K HA -0.019 4.301 4.320 -0.000 0.000 0.199 93 K C 1.379 177.824 176.600 -0.259 0.000 1.045 93 K CA 0.834 56.945 56.287 -0.293 0.000 0.962 93 K CB -0.370 31.856 32.500 -0.457 0.000 0.759 93 K HN 0.523 nan 8.250 nan 0.000 0.469 94 Y N 0.411 120.710 120.300 -0.002 0.000 2.464 94 Y HA 0.170 4.720 4.550 -0.000 0.000 0.288 94 Y C 1.061 176.961 175.900 -0.000 0.000 1.133 94 Y CA -0.518 57.580 58.100 -0.003 0.000 1.223 94 Y CB 1.063 39.523 38.460 -0.000 0.000 1.187 94 Y HN -0.011 nan 8.280 nan 0.000 0.539 95 S N 0.220 116.019 115.700 0.164 0.000 2.547 95 S HA 0.255 4.725 4.470 -0.000 0.000 0.281 95 S C -0.060 174.610 174.600 0.116 0.000 1.118 95 S CA -0.910 57.376 58.200 0.142 0.000 0.947 95 S CB 1.170 64.505 63.200 0.224 0.000 1.053 95 S HN 0.363 nan 8.310 nan 0.000 0.482 96 K N 2.562 122.999 120.400 0.062 0.000 2.404 96 K HA 0.462 4.782 4.320 -0.000 0.000 0.194 96 K C 0.625 177.224 176.600 -0.001 0.000 1.023 96 K CA -0.015 56.285 56.287 0.022 0.000 1.094 96 K CB 0.045 32.543 32.500 -0.003 0.000 0.841 96 K HN 0.515 nan 8.250 nan 0.000 0.523 97 A N 2.314 125.137 122.820 0.005 0.000 2.567 97 A HA -0.008 4.312 4.320 -0.000 0.000 0.240 97 A C 0.675 178.165 177.584 -0.157 0.000 1.053 97 A CA -0.041 51.901 52.037 -0.158 0.000 0.755 97 A CB 0.235 19.003 19.000 -0.387 0.000 0.978 97 A HN 0.395 nan 8.150 nan 0.000 0.507 98 K N 2.149 122.447 120.400 -0.170 0.000 2.152 98 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 98 K C 1.725 178.249 176.600 -0.127 0.000 1.048 98 K CA 1.315 57.535 56.287 -0.112 0.000 0.933 98 K CB -0.259 32.191 32.500 -0.084 0.000 0.721 98 K HN 0.580 nan 8.250 nan 0.000 0.447 99 V N 0.762 120.501 119.914 -0.290 0.000 2.688 99 V HA -0.209 3.910 4.120 -0.000 0.000 0.256 99 V C 0.976 176.986 176.094 -0.139 0.000 1.084 99 V CA 1.717 63.844 62.300 -0.289 0.000 1.103 99 V CB -0.294 31.168 31.823 -0.602 0.000 0.688 99 V HN 0.187 nan 8.190 nan 0.000 0.480 100 F N 0.397 120.369 119.950 0.038 0.000 2.678 100 F HA 0.235 4.762 4.527 -0.000 0.000 0.305 100 F C 2.052 177.860 175.800 0.013 0.000 1.090 100 F CA 0.039 58.087 58.000 0.080 0.000 1.272 100 F CB -0.564 38.472 39.000 0.060 0.000 1.060 100 F HN 0.360 nan 8.300 nan 0.000 0.576 101 E N 0.266 120.526 120.200 0.100 0.000 2.171 101 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 101 E C -0.220 176.222 176.600 -0.263 0.000 0.997 101 E CA 1.592 57.942 56.400 -0.084 0.000 0.810 101 E CB -0.429 29.196 29.700 -0.125 0.000 0.738 101 E HN 0.456 nan 8.360 nan 0.000 0.467 102 H N -0.917 118.201 119.070 0.080 0.000 2.865 102 H HA 0.395 4.951 4.556 -0.000 0.000 0.362 102 H C -0.822 174.530 175.328 0.041 0.000 1.114 102 H CA -0.915 55.162 56.048 0.049 0.000 1.208 102 H CB 1.715 31.491 29.762 0.023 0.000 1.727 102 H HN -0.037 nan 8.280 nan 0.000 0.534 103 I N 2.614 123.288 120.570 0.173 0.000 2.668 103 I HA 0.053 4.223 4.170 -0.000 0.000 0.285 103 I C 1.214 177.357 176.117 0.042 0.000 1.168 103 I CA 1.399 62.743 61.300 0.075 0.000 1.424 103 I CB 0.417 38.435 38.000 0.029 0.000 1.377 103 I HN 1.106 nan 8.210 nan 0.000 0.560 104 G N 4.693 113.494 108.800 0.002 0.000 2.176 104 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.232 104 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.232 104 G C 0.365 175.254 174.900 -0.019 0.000 0.986 104 G CA -0.192 44.896 45.100 -0.020 0.000 0.643 104 G HN 0.634 nan 8.290 nan 0.000 0.522 105 K N 1.310 121.719 120.400 0.014 0.000 2.339 105 K HA 0.431 4.751 4.320 -0.000 0.000 0.286 105 K C 0.142 176.743 176.600 0.003 0.000 1.050 105 K CA -0.130 56.175 56.287 0.029 0.000 0.956 105 K CB 0.206 32.761 32.500 0.092 0.000 0.990 105 K HN 0.228 nan 8.250 nan 0.000 0.475 106 K N 2.561 122.964 120.400 0.005 0.000 2.159 106 K HA 0.268 4.588 4.320 -0.000 0.000 0.266 106 K C -0.918 175.752 176.600 0.118 0.000 0.975 106 K CA -0.654 55.657 56.287 0.040 0.000 0.865 106 K CB 2.017 34.471 32.500 -0.076 0.000 1.087 106 K HN 0.490 nan 8.250 nan 0.000 0.446 107 T N 3.897 118.597 114.554 0.243 0.000 2.841 107 T HA 0.309 4.659 4.350 -0.000 0.000 0.285 107 T C -2.675 172.205 174.700 0.300 0.000 0.991 107 T CA -1.754 60.503 62.100 0.262 0.000 0.966 107 T CB 1.780 70.857 68.868 0.347 0.000 0.962 107 T HN 0.249 nan 8.240 nan 0.000 0.438 108 P HA 0.318 nan 4.420 nan 0.000 0.268 108 P C -0.615 176.894 177.300 0.349 0.000 1.205 108 P CA -0.300 62.973 63.100 0.289 0.000 0.771 108 P CB 0.276 32.110 31.700 0.224 0.000 0.858 109 I N -0.927 119.794 120.570 0.252 0.000 2.828 109 I HA 0.906 5.076 4.170 -0.000 0.000 0.302 109 I C -1.247 174.955 176.117 0.143 0.000 1.101 109 I CA -1.517 59.791 61.300 0.014 0.000 1.031 109 I CB 2.657 40.432 38.000 -0.376 0.000 1.231 109 I HN 0.214 nan 8.210 nan 0.000 0.427 110 A N 4.162 126.965 122.820 -0.029 0.000 2.355 110 A HA 0.882 5.202 4.320 -0.000 0.000 0.317 110 A C -1.055 176.357 177.584 -0.287 0.000 1.094 110 A CA -0.637 51.334 52.037 -0.111 0.000 0.764 110 A CB 1.803 20.897 19.000 0.156 0.000 1.230 110 A HN 0.592 nan 8.150 nan 0.000 0.448 111 V N 1.662 121.299 119.914 -0.462 0.000 2.925 111 V HA 0.709 4.829 4.120 -0.000 0.000 0.311 111 V C -0.243 175.564 176.094 -0.478 0.000 1.104 111 V CA -0.665 61.356 62.300 -0.465 0.000 0.954 111 V CB 2.189 33.659 31.823 -0.589 0.000 1.022 111 V HN 0.980 nan 8.190 nan 0.000 0.427 112 R N 2.477 122.659 120.500 -0.530 0.000 2.538 112 R HA 0.625 4.965 4.340 -0.000 0.000 0.292 112 R C -1.918 174.038 176.300 -0.573 0.000 1.008 112 R CA -0.399 55.457 56.100 -0.406 0.000 0.896 112 R CB 1.414 31.681 30.300 -0.056 0.000 1.187 112 R HN 0.557 nan 8.270 nan 0.000 0.440 113 F N 1.806 121.557 119.950 -0.331 0.000 2.432 113 F HA 0.616 5.143 4.527 -0.000 0.000 0.329 113 F C 0.507 176.153 175.800 -0.258 0.000 1.076 113 F CA -0.126 57.589 58.000 -0.476 0.000 1.018 113 F CB 2.182 40.473 39.000 -1.182 0.000 1.201 113 F HN 0.652 nan 8.300 nan 0.000 0.489 114 S N -1.039 114.744 115.700 0.140 0.000 2.627 114 S HA 0.569 5.039 4.470 -0.000 0.000 0.268 114 S C -0.717 174.025 174.600 0.236 0.000 1.130 114 S CA -0.808 57.527 58.200 0.225 0.000 0.819 114 S CB 1.134 64.498 63.200 0.273 0.000 1.100 114 S HN 0.758 nan 8.310 nan 0.000 0.465 115 T N -1.381 113.264 114.554 0.152 0.000 2.902 115 T HA 0.755 5.105 4.350 -0.000 0.000 0.287 115 T C 0.818 175.420 174.700 -0.163 0.000 1.048 115 T CA -0.000 62.129 62.100 0.050 0.000 0.941 115 T CB 0.443 69.343 68.868 0.054 0.000 1.432 115 T HN 0.777 nan 8.240 nan 0.000 0.586 116 V N -0.341 119.451 119.914 -0.203 0.000 2.950 116 V HA 0.336 4.456 4.120 -0.000 0.000 0.231 116 V C 2.803 178.785 176.094 -0.187 0.000 1.205 116 V CA 0.719 62.805 62.300 -0.356 0.000 1.239 116 V CB -0.893 30.769 31.823 -0.268 0.000 1.050 116 V HN 1.005 nan 8.190 nan 0.000 0.498 117 A N 0.715 123.439 122.820 -0.160 0.000 1.874 117 A HA 0.261 4.581 4.320 -0.000 0.000 0.214 117 A C 1.654 179.170 177.584 -0.113 0.000 1.189 117 A CA 1.167 53.103 52.037 -0.168 0.000 0.615 117 A CB -1.135 17.737 19.000 -0.214 0.000 0.830 117 A HN 0.591 nan 8.150 nan 0.000 0.443 118 G N 0.293 109.047 108.800 -0.077 0.000 2.484 118 G HA2 0.371 4.331 3.960 -0.000 0.000 0.235 118 G HA3 0.371 4.331 3.960 -0.000 0.000 0.235 118 G C -0.177 174.713 174.900 -0.017 0.000 1.282 118 G CA -0.153 44.920 45.100 -0.045 0.000 0.857 118 G HN 0.478 nan 8.290 nan 0.000 0.571 119 E N 0.047 120.240 120.200 -0.011 0.000 2.622 119 E HA 0.359 4.709 4.350 -0.000 0.000 0.255 119 E C 0.611 177.234 176.600 0.039 0.000 1.313 119 E CA -0.268 56.142 56.400 0.016 0.000 1.011 119 E CB 0.350 30.059 29.700 0.015 0.000 1.173 119 E HN 0.342 nan 8.360 nan 0.000 0.601 120 S N -0.111 115.622 115.700 0.054 0.000 2.531 120 S HA 0.415 4.885 4.470 -0.000 0.000 0.279 120 S C 0.972 175.600 174.600 0.046 0.000 1.305 120 S CA 0.407 58.646 58.200 0.066 0.000 1.058 120 S CB 0.521 63.768 63.200 0.079 0.000 0.899 120 S HN 0.758 nan 8.310 nan 0.000 0.493 121 G N 2.315 111.140 108.800 0.041 0.000 2.339 121 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.209 121 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.209 121 G C 0.370 175.287 174.900 0.028 0.000 1.015 121 G CA -0.060 45.057 45.100 0.029 0.000 0.635 121 G HN 1.126 nan 8.290 nan 0.000 0.499 122 S N 0.911 116.628 115.700 0.029 0.000 2.587 122 S HA 0.652 5.122 4.470 -0.000 0.000 0.260 122 S C 0.733 175.353 174.600 0.035 0.000 1.353 122 S CA 0.690 58.904 58.200 0.023 0.000 0.995 122 S CB 1.394 64.602 63.200 0.013 0.000 0.912 122 S HN 1.991 nan 8.310 nan 0.000 0.568 123 A N 0.631 123.468 122.820 0.029 0.000 2.340 123 A HA 0.419 4.739 4.320 -0.000 0.000 0.268 123 A C 0.666 178.281 177.584 0.051 0.000 1.100 123 A CA -0.610 51.450 52.037 0.038 0.000 0.803 123 A CB 0.004 19.017 19.000 0.022 0.000 1.043 123 A HN 0.865 nan 8.150 nan 0.000 0.488 124 D N 0.488 120.932 120.400 0.073 0.000 2.137 124 D HA -0.054 4.586 4.640 -0.000 0.000 0.202 124 D C 1.388 177.720 176.300 0.055 0.000 0.970 124 D CA 2.154 56.210 54.000 0.094 0.000 0.837 124 D CB -0.354 40.523 40.800 0.128 0.000 0.981 124 D HN 0.670 nan 8.370 nan 0.000 0.475 125 T N 0.167 114.727 114.554 0.010 0.000 4.508 125 T HA 0.342 4.692 4.350 -0.000 0.000 0.232 125 T C 0.318 174.999 174.700 -0.031 0.000 1.027 125 T CA -0.559 61.511 62.100 -0.049 0.000 0.999 125 T CB -1.060 67.704 68.868 -0.172 0.000 1.402 125 T HN -0.049 nan 8.240 nan 0.000 1.003 126 V N -1.027 118.885 119.914 -0.004 0.000 3.001 126 V HA 0.645 4.765 4.120 -0.000 0.000 0.314 126 V C 0.072 176.161 176.094 -0.008 0.000 1.099 126 V CA -1.938 60.359 62.300 -0.005 0.000 0.989 126 V CB 1.854 33.676 31.823 -0.002 0.000 1.040 126 V HN 0.540 nan 8.190 nan 0.000 0.434 127 R N 1.765 122.250 120.500 -0.026 0.000 2.421 127 R HA 0.480 4.819 4.340 -0.000 0.000 0.305 127 R C -1.082 175.180 176.300 -0.063 0.000 1.039 127 R CA 0.533 56.595 56.100 -0.063 0.000 1.003 127 R CB -0.079 30.139 30.300 -0.137 0.000 0.959 127 R HN 1.005 nan 8.270 nan 0.000 0.427 128 D N 3.983 124.371 120.400 -0.020 0.000 2.842 128 D HA 0.158 4.798 4.640 -0.000 0.000 0.248 128 D C -2.790 173.562 176.300 0.087 0.000 1.140 128 D CA -0.811 53.201 54.000 0.021 0.000 0.728 128 D CB 1.681 42.481 40.800 0.000 0.000 1.595 128 D HN 0.241 nan 8.370 nan 0.000 0.450 129 P HA 0.296 nan 4.420 nan 0.000 0.274 129 P C -0.622 176.796 177.300 0.196 0.000 1.260 129 P CA -0.483 62.738 63.100 0.201 0.000 0.793 129 P CB 0.663 32.542 31.700 0.299 0.000 1.048 130 R N -0.146 120.503 120.500 0.249 0.000 2.534 130 R HA 0.509 4.849 4.340 -0.000 0.000 0.301 130 R C 0.361 176.876 176.300 0.359 0.000 0.961 130 R CA -0.611 55.658 56.100 0.280 0.000 0.871 130 R CB 1.746 32.216 30.300 0.282 0.000 1.170 130 R HN 0.624 nan 8.270 nan 0.000 0.446 131 G N 1.330 110.377 108.800 0.412 0.000 2.467 131 G HA2 0.367 4.327 3.960 -0.000 0.000 0.257 131 G HA3 0.367 4.327 3.960 -0.000 0.000 0.257 131 G C -0.939 174.102 174.900 0.236 0.000 1.227 131 G CA 0.041 45.364 45.100 0.370 0.000 0.835 131 G HN 0.405 nan 8.290 nan 0.000 0.556 132 F N 2.061 121.952 119.950 -0.098 0.000 2.946 132 F HA 0.561 5.088 4.527 -0.000 0.000 0.375 132 F C 0.109 175.663 175.800 -0.409 0.000 1.320 132 F CA -1.817 56.033 58.000 -0.250 0.000 1.181 132 F CB 0.462 39.438 39.000 -0.041 0.000 2.051 132 F HN 0.663 nan 8.300 nan 0.000 0.622 133 A N 2.887 125.443 122.820 -0.441 0.000 2.328 133 A HA 0.734 5.053 4.320 -0.000 0.000 0.284 133 A C -1.016 176.010 177.584 -0.930 0.000 1.160 133 A CA -0.366 51.123 52.037 -0.913 0.000 0.818 133 A CB 0.787 18.734 19.000 -1.756 0.000 1.087 133 A HN 0.294 nan 8.150 nan 0.000 0.504 134 V N 3.174 122.630 119.914 -0.762 0.000 2.444 134 V HA 0.388 4.508 4.120 -0.000 0.000 0.294 134 V C 0.075 175.780 176.094 -0.648 0.000 1.022 134 V CA -0.693 61.150 62.300 -0.762 0.000 0.850 134 V CB 1.499 32.668 31.823 -1.089 0.000 0.992 134 V HN 0.917 nan 8.190 nan 0.000 0.426 135 K N 4.469 124.587 120.400 -0.470 0.000 2.263 135 K HA 0.555 4.875 4.320 -0.000 0.000 0.272 135 K C -1.531 174.610 176.600 -0.764 0.000 1.033 135 K CA -0.451 55.546 56.287 -0.483 0.000 0.884 135 K CB 0.660 32.867 32.500 -0.488 0.000 1.107 135 K HN 0.482 nan 8.250 nan 0.000 0.460 136 F N 4.534 124.159 119.950 -0.541 0.000 2.361 136 F HA 0.248 4.775 4.527 -0.000 0.000 0.364 136 F C -0.497 175.130 175.800 -0.288 0.000 1.120 136 F CA -0.701 57.078 58.000 -0.367 0.000 1.102 136 F CB 0.597 39.404 39.000 -0.322 0.000 1.183 136 F HN 0.426 nan 8.300 nan 0.000 0.476 137 Y N 1.847 122.145 120.300 -0.003 0.000 2.594 137 Y HA 0.229 4.779 4.550 -0.000 0.000 0.344 137 Y C 1.079 176.906 175.900 -0.121 0.000 1.185 137 Y CA -0.689 57.328 58.100 -0.139 0.000 1.565 137 Y CB -0.269 37.982 38.460 -0.348 0.000 1.415 137 Y HN 0.555 nan 8.280 nan 0.000 0.488 138 T N -2.138 112.441 114.554 0.041 0.000 2.897 138 T HA 0.254 4.604 4.350 -0.000 0.000 0.278 138 T C 0.968 175.644 174.700 -0.040 0.000 0.981 138 T CA -0.754 61.347 62.100 0.002 0.000 0.973 138 T CB 1.253 70.106 68.868 -0.025 0.000 1.092 138 T HN 0.490 nan 8.240 nan 0.000 0.543 139 E N 0.006 120.180 120.200 -0.044 0.000 2.268 139 E HA 0.024 4.373 4.350 -0.000 0.000 0.195 139 E C 0.590 177.161 176.600 -0.048 0.000 0.995 139 E CA 0.703 57.075 56.400 -0.046 0.000 0.836 139 E CB -0.028 29.651 29.700 -0.035 0.000 0.763 139 E HN 0.565 nan 8.360 nan 0.000 0.491 140 D N 0.174 120.539 120.400 -0.057 0.000 2.561 140 D HA 0.272 4.912 4.640 -0.000 0.000 0.232 140 D C 0.264 176.533 176.300 -0.052 0.000 1.198 140 D CA 0.572 54.535 54.000 -0.060 0.000 0.826 140 D CB 0.159 40.909 40.800 -0.084 0.000 0.992 140 D HN 0.182 nan 8.370 nan 0.000 0.490 141 G N 0.650 109.425 108.800 -0.041 0.000 2.710 141 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.668 141 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.668 141 G C -0.363 174.529 174.900 -0.014 0.000 1.320 141 G CA -1.066 44.018 45.100 -0.027 0.000 0.860 141 G HN 0.148 nan 8.290 nan 0.000 0.538 142 N N -0.583 118.110 118.700 -0.012 0.000 2.530 142 N HA 0.474 5.214 4.740 -0.000 0.000 0.273 142 N C -0.551 175.000 175.510 0.068 0.000 1.173 142 N CA 0.054 53.088 53.050 -0.026 0.000 0.967 142 N CB 0.996 39.419 38.487 -0.108 0.000 1.109 142 N HN 0.699 nan 8.380 nan 0.000 0.453 143 W N 2.581 123.801 121.300 -0.132 0.000 2.475 143 W HA 0.357 5.016 4.660 -0.000 0.000 0.320 143 W C -1.473 175.027 176.519 -0.032 0.000 1.022 143 W CA -0.958 56.301 57.345 -0.144 0.000 1.240 143 W CB 0.557 29.826 29.460 -0.318 0.000 1.328 143 W HN 0.316 nan 8.180 nan 0.000 0.439 144 D N 6.049 126.410 120.400 -0.065 0.000 2.392 144 D HA 0.181 4.821 4.640 -0.000 0.000 0.228 144 D C -0.858 175.222 176.300 -0.367 0.000 1.074 144 D CA -0.362 53.521 54.000 -0.196 0.000 0.838 144 D CB 1.852 42.659 40.800 0.011 0.000 1.067 144 D HN 0.361 nan 8.370 nan 0.000 0.511 145 L N 4.136 125.002 121.223 -0.595 0.000 2.314 145 L HA 0.225 4.565 4.340 -0.000 0.000 0.275 145 L C -0.857 175.797 176.870 -0.358 0.000 1.068 145 L CA -0.647 53.881 54.840 -0.521 0.000 0.894 145 L CB 0.911 42.524 42.059 -0.743 0.000 1.275 145 L HN 0.074 nan 8.230 nan 0.000 0.432 146 V N 5.583 125.352 119.914 -0.241 0.000 2.276 146 V HA 0.538 4.658 4.120 -0.000 0.000 0.249 146 V C 1.098 177.107 176.094 -0.140 0.000 1.160 146 V CA 0.028 62.160 62.300 -0.280 0.000 1.042 146 V CB -0.389 31.251 31.823 -0.304 0.000 1.224 146 V HN 0.799 nan 8.190 nan 0.000 0.496 147 G N 3.136 111.867 108.800 -0.114 0.000 2.613 147 G HA2 0.580 4.539 3.960 -0.000 0.000 0.303 147 G HA3 0.580 4.539 3.960 -0.000 0.000 0.303 147 G C -0.635 174.292 174.900 0.045 0.000 1.312 147 G CA -0.627 44.466 45.100 -0.012 0.000 1.036 147 G HN 0.491 nan 8.290 nan 0.000 0.513 148 N N -0.881 117.878 118.700 0.098 0.000 2.577 148 N HA 0.208 4.948 4.740 -0.000 0.000 0.285 148 N C 0.344 176.010 175.510 0.260 0.000 1.309 148 N CA -0.742 52.441 53.050 0.221 0.000 0.798 148 N CB 1.460 40.096 38.487 0.249 0.000 1.463 148 N HN 0.527 nan 8.380 nan 0.000 0.518 149 N N -1.138 117.756 118.700 0.323 0.000 2.362 149 N HA -0.014 4.726 4.740 -0.000 0.000 0.204 149 N C -0.363 175.401 175.510 0.424 0.000 1.166 149 N CA 0.077 53.353 53.050 0.377 0.000 0.831 149 N CB 0.013 38.697 38.487 0.327 0.000 1.008 149 N HN 0.376 nan 8.380 nan 0.000 0.472 150 T N -0.081 114.643 114.554 0.283 0.000 2.909 150 T HA 0.382 4.732 4.350 -0.000 0.000 0.299 150 T C -2.459 171.990 174.700 -0.418 0.000 1.073 150 T CA -1.772 60.279 62.100 -0.081 0.000 0.999 150 T CB 2.280 71.132 68.868 -0.028 0.000 1.098 150 T HN -0.171 nan 8.240 nan 0.000 0.477 151 P HA 0.199 nan 4.420 nan 0.000 0.240 151 P C 0.507 177.525 177.300 -0.470 0.000 1.190 151 P CA 0.265 62.909 63.100 -0.760 0.000 0.781 151 P CB -0.005 31.190 31.700 -0.841 0.000 0.931 152 I N -5.517 114.776 120.570 -0.462 0.000 3.436 152 I HA 0.694 4.864 4.170 -0.000 0.000 0.300 152 I C -0.839 175.100 176.117 -0.298 0.000 1.131 152 I CA -1.598 59.429 61.300 -0.454 0.000 1.001 152 I CB 1.680 39.220 38.000 -0.768 0.000 1.305 152 I HN -0.295 nan 8.210 nan 0.000 0.494 153 F N -0.696 118.971 119.950 -0.472 0.000 2.685 153 F HA 0.480 5.007 4.527 -0.000 0.000 0.315 153 F C -0.130 175.416 175.800 -0.424 0.000 1.126 153 F CA -0.726 57.028 58.000 -0.409 0.000 0.950 153 F CB 1.897 40.821 39.000 -0.127 0.000 1.360 153 F HN 0.414 nan 8.300 nan 0.000 0.469 154 F N 2.197 121.653 119.950 -0.823 0.000 2.186 154 F HA 0.028 4.555 4.527 -0.000 0.000 0.299 154 F C 0.804 176.456 175.800 -0.247 0.000 1.090 154 F CA 0.904 58.535 58.000 -0.615 0.000 1.307 154 F CB -0.346 38.055 39.000 -0.999 0.000 1.019 154 F HN 0.110 nan 8.300 nan 0.000 0.489 155 I N -1.535 119.163 120.570 0.213 0.000 3.067 155 I HA 0.506 4.675 4.170 -0.000 0.000 0.312 155 I C 0.576 176.838 176.117 0.242 0.000 1.073 155 I CA -1.138 60.303 61.300 0.235 0.000 1.016 155 I CB 2.275 40.461 38.000 0.310 0.000 1.227 155 I HN -0.035 nan 8.210 nan 0.000 0.456 156 R N 0.113 120.714 120.500 0.169 0.000 2.535 156 R HA 0.405 4.745 4.340 -0.000 0.000 0.323 156 R C -0.751 175.625 176.300 0.127 0.000 0.979 156 R CA -0.331 55.849 56.100 0.133 0.000 1.120 156 R CB 0.398 30.753 30.300 0.091 0.000 1.306 156 R HN 0.709 nan 8.270 nan 0.000 0.540 157 D N 1.435 121.927 120.400 0.153 0.000 2.788 157 D HA 0.178 4.818 4.640 -0.000 0.000 0.247 157 D C -1.964 174.439 176.300 0.171 0.000 1.236 157 D CA -2.079 52.001 54.000 0.133 0.000 0.898 157 D CB 2.673 43.545 40.800 0.120 0.000 1.401 157 D HN -0.169 nan 8.370 nan 0.000 0.549 158 P HA -0.098 nan 4.420 nan 0.000 0.219 158 P C 1.756 179.169 177.300 0.188 0.000 1.146 158 P CA 0.417 63.603 63.100 0.144 0.000 0.808 158 P CB 0.667 32.400 31.700 0.055 0.000 0.779 159 I N -1.119 119.537 120.570 0.143 0.000 2.916 159 I HA -0.146 4.024 4.170 -0.000 0.000 0.267 159 I C 1.907 178.121 176.117 0.161 0.000 1.263 159 I CA 0.759 62.135 61.300 0.126 0.000 1.471 159 I CB -0.066 37.985 38.000 0.084 0.000 1.089 159 I HN -0.134 nan 8.210 nan 0.000 0.468 160 L N -1.245 120.113 121.223 0.225 0.000 2.513 160 L HA -0.004 4.336 4.340 -0.000 0.000 0.222 160 L C 1.891 178.934 176.870 0.288 0.000 1.096 160 L CA 0.174 55.181 54.840 0.278 0.000 0.857 160 L CB -0.306 41.964 42.059 0.352 0.000 1.026 160 L HN 0.149 nan 8.230 nan 0.000 0.469 161 F N 2.121 122.173 119.950 0.170 0.000 2.091 161 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 161 F C -0.495 175.331 175.800 0.044 0.000 1.103 161 F CA 1.944 60.060 58.000 0.194 0.000 1.228 161 F CB -1.041 38.056 39.000 0.162 0.000 0.984 161 F HN 0.079 nan 8.300 nan 0.000 0.477 162 P HA -0.156 nan 4.420 nan 0.000 0.215 162 P C 1.844 178.755 177.300 -0.649 0.000 1.153 162 P CA 2.327 65.235 63.100 -0.320 0.000 0.853 162 P CB -0.067 31.501 31.700 -0.220 0.000 0.788 163 S N -1.288 114.170 115.700 -0.404 0.000 2.368 163 S HA -0.167 4.302 4.470 -0.000 0.000 0.225 163 S C 1.647 175.845 174.600 -0.669 0.000 1.030 163 S CA 1.046 59.014 58.200 -0.386 0.000 0.999 163 S CB -1.255 61.904 63.200 -0.069 0.000 0.844 163 S HN 0.183 nan 8.310 nan 0.000 0.459 164 F N 2.336 121.707 119.950 -0.965 0.000 2.069 164 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 164 F C 1.894 177.175 175.800 -0.865 0.000 1.113 164 F CA 1.338 58.573 58.000 -1.276 0.000 1.214 164 F CB -0.153 38.414 39.000 -0.721 0.000 0.978 164 F HN 0.087 nan 8.300 nan 0.000 0.474 165 I N 0.502 120.442 120.570 -1.050 0.000 2.286 165 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 165 I C 2.369 178.144 176.117 -0.571 0.000 1.115 165 I CA 1.649 62.383 61.300 -0.944 0.000 1.392 165 I CB -1.835 35.739 38.000 -0.710 0.000 1.065 165 I HN 0.377 nan 8.210 nan 0.000 0.418 166 H N 0.557 119.299 119.070 -0.546 0.000 2.293 166 H HA -0.138 4.418 4.556 -0.000 0.000 0.300 166 H C 2.476 177.540 175.328 -0.440 0.000 1.082 166 H CA 1.632 57.446 56.048 -0.390 0.000 1.308 166 H CB 0.159 29.757 29.762 -0.273 0.000 1.375 166 H HN 0.368 nan 8.280 nan 0.000 0.495 167 S N 0.596 116.043 115.700 -0.421 0.000 2.419 167 S HA -0.160 4.309 4.470 -0.000 0.000 0.235 167 S C 1.839 176.103 174.600 -0.560 0.000 1.019 167 S CA 0.962 58.889 58.200 -0.455 0.000 0.982 167 S CB -0.023 62.859 63.200 -0.530 0.000 0.789 167 S HN 0.375 nan 8.310 nan 0.000 0.490 168 Q N 0.804 120.166 119.800 -0.730 0.000 2.398 168 Q HA 0.281 4.621 4.340 -0.000 0.000 0.204 168 Q C 0.840 176.569 176.000 -0.452 0.000 0.932 168 Q CA 0.639 56.019 55.803 -0.704 0.000 0.916 168 Q CB 0.130 28.299 28.738 -0.948 0.000 1.024 168 Q HN 0.662 nan 8.270 nan 0.000 0.504 169 K N 0.146 120.320 120.400 -0.376 0.000 2.727 169 K HA 0.338 4.658 4.320 -0.000 0.000 0.299 169 K C 0.185 176.639 176.600 -0.242 0.000 0.996 169 K CA -0.683 55.437 56.287 -0.279 0.000 1.212 169 K CB 0.534 32.889 32.500 -0.241 0.000 1.529 169 K HN -0.127 nan 8.250 nan 0.000 0.646 170 R N 1.746 122.101 120.500 -0.242 0.000 2.490 170 R HA 0.085 4.424 4.340 -0.000 0.000 0.278 170 R C 0.154 176.353 176.300 -0.168 0.000 1.069 170 R CA -0.513 55.444 56.100 -0.238 0.000 1.080 170 R CB 0.284 30.341 30.300 -0.405 0.000 1.030 170 R HN 0.472 nan 8.270 nan 0.000 0.491 171 N N 3.687 122.316 118.700 -0.118 0.000 2.454 171 N HA -0.019 4.721 4.740 -0.000 0.000 0.260 171 N C -1.540 173.943 175.510 -0.046 0.000 1.218 171 N CA -1.168 51.837 53.050 -0.075 0.000 0.904 171 N CB 0.983 39.445 38.487 -0.042 0.000 1.065 171 N HN 0.363 nan 8.380 nan 0.000 0.462 172 P HA -0.186 nan 4.420 nan 0.000 0.221 172 P C 0.802 178.095 177.300 -0.012 0.000 1.145 172 P CA 1.456 64.528 63.100 -0.047 0.000 0.795 172 P CB 0.439 32.095 31.700 -0.073 0.000 0.775 173 Q N 0.018 119.815 119.800 -0.004 0.000 2.388 173 Q HA -0.026 4.314 4.340 -0.000 0.000 0.204 173 Q C 2.113 178.126 176.000 0.021 0.000 0.946 173 Q CA 1.385 57.189 55.803 0.003 0.000 0.880 173 Q CB -0.272 28.465 28.738 -0.001 0.000 0.997 173 Q HN 0.174 nan 8.270 nan 0.000 0.552 174 T N -2.959 111.611 114.554 0.027 0.000 3.067 174 T HA -0.060 4.289 4.350 -0.000 0.000 0.261 174 T C 0.433 175.199 174.700 0.110 0.000 1.110 174 T CA 1.021 63.147 62.100 0.044 0.000 1.113 174 T CB -0.216 68.664 68.868 0.021 0.000 0.917 174 T HN 0.641 nan 8.240 nan 0.000 0.499 175 H N -0.102 118.942 119.070 -0.043 0.000 3.047 175 H HA -0.113 4.443 4.556 -0.000 0.000 0.263 175 H C -0.641 174.661 175.328 -0.043 0.000 1.168 175 H CA 0.617 56.636 56.048 -0.048 0.000 1.152 175 H CB -2.223 27.516 29.762 -0.038 0.000 1.278 175 H HN 0.554 nan 8.280 nan 0.000 0.339 176 L N 0.325 121.519 121.223 -0.048 0.000 2.334 176 L HA 0.397 4.737 4.340 -0.000 0.000 0.272 176 L C 0.691 177.503 176.870 -0.097 0.000 1.020 176 L CA -1.351 53.446 54.840 -0.071 0.000 0.812 176 L CB 1.047 43.092 42.059 -0.023 0.000 1.264 176 L HN -0.103 nan 8.230 nan 0.000 0.439 177 K N 1.553 121.900 120.400 -0.089 0.000 2.448 177 K HA 0.057 4.377 4.320 -0.000 0.000 0.278 177 K C -0.647 175.922 176.600 -0.052 0.000 1.009 177 K CA 0.198 56.436 56.287 -0.081 0.000 0.995 177 K CB 0.314 32.790 32.500 -0.041 0.000 0.917 177 K HN 0.429 nan 8.250 nan 0.000 0.481 178 D N 4.219 124.581 120.400 -0.062 0.000 2.440 178 D HA 0.175 4.815 4.640 -0.000 0.000 0.252 178 D C -1.743 174.549 176.300 -0.014 0.000 1.180 178 D CA -2.017 51.960 54.000 -0.037 0.000 0.894 178 D CB 1.443 42.214 40.800 -0.049 0.000 1.111 178 D HN 0.092 nan 8.370 nan 0.000 0.544 179 P HA -0.099 nan 4.420 nan 0.000 0.220 179 P C 0.715 178.110 177.300 0.158 0.000 1.148 179 P CA 0.632 63.806 63.100 0.122 0.000 0.803 179 P CB 0.833 32.539 31.700 0.009 0.000 0.782 180 D N -0.697 119.746 120.400 0.071 0.000 2.117 180 D HA -0.061 4.579 4.640 -0.000 0.000 0.198 180 D C 2.165 178.494 176.300 0.048 0.000 0.982 180 D CA 1.116 55.152 54.000 0.059 0.000 0.828 180 D CB -0.588 40.236 40.800 0.039 0.000 0.967 180 D HN 0.135 nan 8.370 nan 0.000 0.464 181 M N -0.319 119.282 119.600 0.001 0.000 2.086 181 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 181 M C 2.262 178.493 176.300 -0.115 0.000 1.067 181 M CA 0.847 56.121 55.300 -0.043 0.000 1.116 181 M CB -0.141 32.402 32.600 -0.095 0.000 1.348 181 M HN -0.103 nan 8.290 nan 0.000 0.407 182 V N -0.826 118.962 119.914 -0.211 0.000 2.231 182 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 182 V C 1.768 177.552 176.094 -0.517 0.000 1.054 182 V CA 2.218 64.202 62.300 -0.525 0.000 1.015 182 V CB -0.785 30.737 31.823 -0.502 0.000 0.638 182 V HN 0.594 nan 8.190 nan 0.000 0.444 183 W N -0.251 121.046 121.300 -0.005 0.000 2.584 183 W HA -0.026 4.634 4.660 -0.000 0.000 0.264 183 W C 2.258 178.820 176.519 0.071 0.000 1.264 183 W CA 0.889 58.306 57.345 0.120 0.000 1.306 183 W CB -0.250 29.288 29.460 0.129 0.000 1.110 183 W HN 0.304 nan 8.180 nan 0.000 0.606 184 D N -0.161 120.351 120.400 0.187 0.000 2.097 184 D HA -0.236 4.404 4.640 -0.000 0.000 0.197 184 D C 1.854 178.240 176.300 0.142 0.000 0.984 184 D CA 1.245 55.318 54.000 0.122 0.000 0.826 184 D CB -0.499 40.362 40.800 0.101 0.000 0.973 184 D HN 0.085 nan 8.370 nan 0.000 0.460 185 F N -0.179 119.775 119.950 0.007 0.000 2.069 185 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 185 F C 1.940 177.821 175.800 0.135 0.000 1.113 185 F CA 1.558 59.568 58.000 0.018 0.000 1.214 185 F CB -0.288 38.660 39.000 -0.086 0.000 0.978 185 F HN 0.051 nan 8.300 nan 0.000 0.474 186 W N 0.971 122.327 121.300 0.094 0.000 2.338 186 W HA -0.184 4.476 4.660 -0.000 0.000 0.304 186 W C 3.091 179.586 176.519 -0.041 0.000 1.212 186 W CA 1.906 59.246 57.345 -0.008 0.000 1.264 186 W CB -1.687 27.721 29.460 -0.088 0.000 1.142 186 W HN 0.262 nan 8.180 nan 0.000 0.512 187 S N -0.625 115.237 115.700 0.271 0.000 2.387 187 S HA -0.124 4.346 4.470 -0.000 0.000 0.226 187 S C 1.864 176.467 174.600 0.004 0.000 1.026 187 S CA 0.956 59.226 58.200 0.115 0.000 0.972 187 S CB -0.803 62.474 63.200 0.129 0.000 0.814 187 S HN 0.038 nan 8.310 nan 0.000 0.477 188 L N 0.938 122.145 121.223 -0.027 0.000 2.313 188 L HA 0.285 4.625 4.340 -0.000 0.000 0.214 188 L C 0.786 177.557 176.870 -0.165 0.000 1.119 188 L CA 0.961 55.751 54.840 -0.083 0.000 0.809 188 L CB -0.396 41.612 42.059 -0.086 0.000 0.933 188 L HN 0.185 nan 8.230 nan 0.000 0.449 189 R N 0.035 120.393 120.500 -0.237 0.000 2.477 189 R HA 0.291 4.631 4.340 -0.000 0.000 0.285 189 R C -1.913 174.309 176.300 -0.131 0.000 1.415 189 R CA -1.936 54.013 56.100 -0.251 0.000 1.446 189 R CB 0.164 30.145 30.300 -0.533 0.000 1.110 189 R HN 0.012 nan 8.270 nan 0.000 0.590 190 P HA -0.088 nan 4.420 nan 0.000 0.236 190 P C -0.038 177.198 177.300 -0.107 0.000 1.172 190 P CA 0.702 63.729 63.100 -0.123 0.000 0.759 190 P CB 0.527 32.156 31.700 -0.118 0.000 0.843 191 E N 0.549 120.703 120.200 -0.077 0.000 2.268 191 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 191 E C 2.151 178.697 176.600 -0.089 0.000 0.995 191 E CA 1.391 57.755 56.400 -0.060 0.000 0.836 191 E CB -0.921 28.768 29.700 -0.019 0.000 0.763 191 E HN 0.394 nan 8.360 nan 0.000 0.491 192 S N 0.755 116.395 115.700 -0.099 0.000 2.447 192 S HA -0.085 4.385 4.470 -0.000 0.000 0.233 192 S C 1.908 176.364 174.600 -0.239 0.000 1.006 192 S CA 0.404 58.508 58.200 -0.159 0.000 0.957 192 S CB -0.484 62.612 63.200 -0.173 0.000 0.773 192 S HN 0.191 nan 8.310 nan 0.000 0.507 193 L N 0.840 121.951 121.223 -0.186 0.000 2.064 193 L HA -0.271 4.069 4.340 -0.000 0.000 0.216 193 L C 2.857 179.716 176.870 -0.018 0.000 1.077 193 L CA 2.305 57.078 54.840 -0.111 0.000 0.766 193 L CB -0.837 41.155 42.059 -0.111 0.000 0.890 193 L HN 0.540 nan 8.230 nan 0.000 0.435 194 H N -0.994 117.922 119.070 -0.255 0.000 2.299 194 H HA -0.221 4.335 4.556 -0.000 0.000 0.302 194 H C 2.418 177.333 175.328 -0.690 0.000 1.078 194 H CA 1.418 57.213 56.048 -0.421 0.000 1.323 194 H CB 0.362 29.829 29.762 -0.492 0.000 1.381 194 H HN 0.200 nan 8.280 nan 0.000 0.498 195 Q N 0.567 119.964 119.800 -0.671 0.000 2.123 195 Q HA -0.076 4.264 4.340 -0.000 0.000 0.199 195 Q C 2.305 177.991 176.000 -0.524 0.000 0.966 195 Q CA 1.323 56.575 55.803 -0.918 0.000 0.845 195 Q CB -0.335 27.574 28.738 -1.381 0.000 0.907 195 Q HN 0.328 nan 8.270 nan 0.000 0.439 196 V N 0.217 119.938 119.914 -0.321 0.000 2.332 196 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 196 V C 2.214 178.462 176.094 0.256 0.000 1.055 196 V CA 2.061 64.308 62.300 -0.088 0.000 1.038 196 V CB -0.742 30.923 31.823 -0.263 0.000 0.651 196 V HN 0.385 nan 8.190 nan 0.000 0.450 197 S N -0.701 115.159 115.700 0.266 0.000 2.382 197 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 197 S C 1.787 176.689 174.600 0.504 0.000 1.027 197 S CA 1.596 60.092 58.200 0.494 0.000 0.991 197 S CB -0.440 63.115 63.200 0.592 0.000 0.823 197 S HN 0.590 nan 8.310 nan 0.000 0.469 198 F N 0.757 120.638 119.950 -0.116 0.000 2.113 198 F HA -0.087 4.439 4.527 -0.000 0.000 0.297 198 F C 2.284 178.071 175.800 -0.022 0.000 1.103 198 F CA 0.342 58.226 58.000 -0.193 0.000 1.248 198 F CB -0.245 38.509 39.000 -0.410 0.000 0.999 198 F HN 0.186 nan 8.300 nan 0.000 0.475 199 L N -0.151 121.170 121.223 0.163 0.000 2.042 199 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 199 L C 1.503 178.351 176.870 -0.037 0.000 1.076 199 L CA 1.969 56.832 54.840 0.038 0.000 0.749 199 L CB -0.910 41.156 42.059 0.013 0.000 0.893 199 L HN 0.005 nan 8.230 nan 0.000 0.432 200 F N -0.638 119.427 119.950 0.193 0.000 2.773 200 F HA 0.161 4.687 4.527 -0.000 0.000 0.304 200 F C 1.642 177.547 175.800 0.175 0.000 1.129 200 F CA 0.203 58.318 58.000 0.192 0.000 1.378 200 F CB -0.470 38.660 39.000 0.218 0.000 1.095 200 F HN 0.175 nan 8.300 nan 0.000 0.565 201 S N -1.070 114.812 115.700 0.304 0.000 2.671 201 S HA 0.115 4.585 4.470 -0.000 0.000 0.272 201 S C 1.143 175.828 174.600 0.142 0.000 1.174 201 S CA -0.646 57.694 58.200 0.234 0.000 1.004 201 S CB 0.628 64.002 63.200 0.290 0.000 1.077 201 S HN 0.061 nan 8.310 nan 0.000 0.553 202 D N 0.556 121.013 120.400 0.095 0.000 2.182 202 D HA -0.074 4.566 4.640 -0.000 0.000 0.201 202 D C 1.707 178.040 176.300 0.055 0.000 0.986 202 D CA 1.178 55.214 54.000 0.060 0.000 0.847 202 D CB -0.293 40.527 40.800 0.033 0.000 0.942 202 D HN 0.518 nan 8.370 nan 0.000 0.467 203 R N 0.326 120.861 120.500 0.059 0.000 2.328 203 R HA 0.108 4.448 4.340 -0.000 0.000 0.200 203 R C 1.980 178.319 176.300 0.064 0.000 0.983 203 R CA 0.314 56.449 56.100 0.058 0.000 1.062 203 R CB -0.127 30.199 30.300 0.044 0.000 0.956 203 R HN 0.109 nan 8.270 nan 0.000 0.479 204 G N 1.187 110.020 108.800 0.055 0.000 2.443 204 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.219 204 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.219 204 G C 0.815 175.732 174.900 0.028 0.000 1.131 204 G CA 0.361 45.478 45.100 0.028 0.000 0.775 204 G HN 0.195 nan 8.290 nan 0.000 0.547 205 I N 1.432 122.021 120.570 0.032 0.000 2.623 205 I HA 0.255 4.425 4.170 -0.000 0.000 0.275 205 I C -2.671 173.464 176.117 0.030 0.000 1.108 205 I CA -2.009 59.305 61.300 0.023 0.000 1.120 205 I CB 2.369 40.368 38.000 -0.002 0.000 1.249 205 I HN -0.164 nan 8.210 nan 0.000 0.500 206 P HA -0.032 nan 4.420 nan 0.000 0.269 206 P C -0.294 177.047 177.300 0.068 0.000 1.215 206 P CA -0.096 63.053 63.100 0.081 0.000 0.780 206 P CB 0.638 32.408 31.700 0.118 0.000 0.898 207 D N 2.294 122.752 120.400 0.097 0.000 2.558 207 D HA 0.328 4.968 4.640 -0.000 0.000 0.221 207 D C 0.702 177.162 176.300 0.266 0.000 1.143 207 D CA 0.683 54.771 54.000 0.147 0.000 1.010 207 D CB -1.188 39.656 40.800 0.073 0.000 1.068 207 D HN 0.567 nan 8.370 nan 0.000 0.511 208 G N 2.768 111.676 108.800 0.180 0.000 2.757 208 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.638 208 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.638 208 G C 0.649 175.432 174.900 -0.196 0.000 1.344 208 G CA -0.548 44.520 45.100 -0.053 0.000 0.855 208 G HN 0.502 nan 8.290 nan 0.000 0.537 209 H N 0.457 119.388 119.070 -0.233 0.000 2.512 209 H HA 0.055 4.611 4.556 -0.000 0.000 0.279 209 H C 2.701 177.775 175.328 -0.424 0.000 0.999 209 H CA 1.372 57.065 56.048 -0.591 0.000 1.283 209 H CB 0.171 29.074 29.762 -1.433 0.000 1.421 209 H HN 0.529 nan 8.280 nan 0.000 0.554 210 R N 0.194 120.583 120.500 -0.186 0.000 2.236 210 R HA 0.002 4.342 4.340 -0.000 0.000 0.208 210 R C 0.381 176.490 176.300 -0.317 0.000 1.036 210 R CA 0.507 56.479 56.100 -0.213 0.000 1.001 210 R CB 0.030 30.090 30.300 -0.400 0.000 0.896 210 R HN 0.432 nan 8.270 nan 0.000 0.464 211 H N 0.329 119.414 119.070 0.024 0.000 2.524 211 H HA 0.232 4.788 4.556 -0.000 0.000 0.297 211 H C -0.043 175.355 175.328 0.117 0.000 1.115 211 H CA -0.420 55.650 56.048 0.036 0.000 1.027 211 H CB 0.161 29.934 29.762 0.018 0.000 1.591 211 H HN 0.101 nan 8.280 nan 0.000 0.543 212 M N -1.681 118.105 119.600 0.309 0.000 2.550 212 M HA 0.520 5.000 4.480 -0.000 0.000 0.292 212 M C -1.313 175.305 176.300 0.531 0.000 1.221 212 M CA -1.197 54.309 55.300 0.344 0.000 0.873 212 M CB 2.184 34.955 32.600 0.286 0.000 1.727 212 M HN -0.193 nan 8.290 nan 0.000 0.459 213 N N 0.376 119.307 118.700 0.385 0.000 2.434 213 N HA 0.754 5.494 4.740 -0.000 0.000 0.266 213 N C -0.556 175.013 175.510 0.099 0.000 1.223 213 N CA -0.050 53.153 53.050 0.256 0.000 0.972 213 N CB 1.479 39.945 38.487 -0.035 0.000 1.207 213 N HN 0.897 nan 8.380 nan 0.000 0.525 214 G N -0.427 108.046 108.800 -0.544 0.000 2.591 214 G HA2 0.651 4.611 3.960 -0.000 0.000 0.306 214 G HA3 0.651 4.611 3.960 -0.000 0.000 0.306 214 G C -1.788 171.973 174.900 -1.900 0.000 1.334 214 G CA -0.282 44.075 45.100 -1.237 0.000 0.981 214 G HN 0.385 nan 8.290 nan 0.000 0.491 215 Y N -0.224 119.514 120.300 -0.936 0.000 2.524 215 Y HA 0.493 5.043 4.550 -0.000 0.000 0.347 215 Y C 1.152 176.872 175.900 -0.300 0.000 1.005 215 Y CA -0.411 57.331 58.100 -0.597 0.000 1.025 215 Y CB 2.664 40.894 38.460 -0.383 0.000 1.275 215 Y HN 0.628 nan 8.280 nan 0.000 0.460 216 G N -0.057 108.792 108.800 0.081 0.000 2.572 216 G HA2 0.093 4.052 3.960 -0.000 0.000 0.216 216 G HA3 0.093 4.052 3.960 -0.000 0.000 0.216 216 G C 0.907 175.899 174.900 0.152 0.000 1.133 216 G CA 0.850 46.125 45.100 0.292 0.000 0.791 216 G HN 0.729 nan 8.290 nan 0.000 0.538 217 S N -0.785 114.878 115.700 -0.061 0.000 1.728 217 S HA -0.256 4.214 4.470 -0.000 0.000 0.226 217 S C 0.989 175.389 174.600 -0.333 0.000 0.868 217 S CA 1.517 59.554 58.200 -0.272 0.000 1.531 217 S CB -1.239 61.746 63.200 -0.357 0.000 2.005 217 S HN 0.682 nan 8.310 nan 0.000 0.534 218 H N 1.813 120.807 119.070 -0.127 0.000 2.730 218 H HA 0.348 4.904 4.556 0.000 0.000 0.376 218 H C 0.546 175.636 175.328 -0.397 0.000 1.299 218 H CA 0.894 56.742 56.048 -0.334 0.000 1.447 218 H CB 0.057 29.442 29.762 -0.629 0.000 1.493 218 H HN 0.356 nan 8.280 nan 0.000 0.619 219 T N 2.256 116.651 114.554 -0.265 0.000 2.845 219 T HA 0.370 4.720 4.350 -0.000 0.000 0.288 219 T C -0.138 174.402 174.700 -0.267 0.000 0.980 219 T CA -0.213 61.758 62.100 -0.216 0.000 1.071 219 T CB 0.165 69.041 68.868 0.014 0.000 0.941 219 T HN 0.208 nan 8.240 nan 0.000 0.487 220 F N 1.094 121.073 119.950 0.049 0.000 2.639 220 F HA 0.629 5.155 4.527 -0.000 0.000 0.339 220 F C 0.366 176.317 175.800 0.250 0.000 1.071 220 F CA -1.191 56.895 58.000 0.144 0.000 0.994 220 F CB 1.717 40.817 39.000 0.167 0.000 1.341 220 F HN 0.243 nan 8.300 nan 0.000 0.498 221 K N 1.426 122.100 120.400 0.457 0.000 2.270 221 K HA 0.704 5.024 4.320 -0.000 0.000 0.255 221 K C -1.842 174.871 176.600 0.189 0.000 0.936 221 K CA -0.435 56.032 56.287 0.301 0.000 0.809 221 K CB 1.213 33.868 32.500 0.258 0.000 1.131 221 K HN 0.575 nan 8.250 nan 0.000 0.427 222 L N 4.022 125.306 121.223 0.102 0.000 2.346 222 L HA 0.550 4.890 4.340 -0.000 0.000 0.276 222 L C -0.953 175.925 176.870 0.015 0.000 1.006 222 L CA -1.283 53.606 54.840 0.082 0.000 0.817 222 L CB 2.013 44.135 42.059 0.104 0.000 1.272 222 L HN 0.346 nan 8.230 nan 0.000 0.421 223 V N 1.892 121.813 119.914 0.012 0.000 2.540 223 V HA 0.376 4.496 4.120 -0.000 0.000 0.302 223 V C -0.361 175.739 176.094 0.010 0.000 1.035 223 V CA -0.849 61.436 62.300 -0.025 0.000 0.873 223 V CB 1.858 33.668 31.823 -0.021 0.000 0.992 223 V HN 0.903 nan 8.190 nan 0.000 0.428 224 N N 3.776 122.478 118.700 0.003 0.000 2.478 224 N HA 0.526 5.266 4.740 -0.000 0.000 0.275 224 N C 1.043 176.551 175.510 -0.004 0.000 1.221 224 N CA -0.154 52.900 53.050 0.006 0.000 0.979 224 N CB 1.145 39.631 38.487 -0.002 0.000 1.202 224 N HN 0.572 nan 8.380 nan 0.000 0.564 225 A N 0.248 123.063 122.820 -0.009 0.000 2.032 225 A HA -0.239 4.081 4.320 -0.000 0.000 0.221 225 A C 1.322 178.901 177.584 -0.009 0.000 1.165 225 A CA 1.627 53.658 52.037 -0.010 0.000 0.645 225 A CB -1.291 17.699 19.000 -0.015 0.000 0.807 225 A HN 0.853 nan 8.150 nan 0.000 0.453 226 N N -1.175 117.518 118.700 -0.013 0.000 2.461 226 N HA 0.284 5.024 4.740 -0.000 0.000 0.188 226 N C 1.010 176.516 175.510 -0.007 0.000 1.134 226 N CA 0.452 53.494 53.050 -0.013 0.000 0.878 226 N CB 0.109 38.584 38.487 -0.020 0.000 0.972 226 N HN 0.620 nan 8.380 nan 0.000 0.456 227 G N 0.972 109.772 108.800 0.001 0.000 2.159 227 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.256 227 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.256 227 G C -0.272 174.638 174.900 0.017 0.000 0.977 227 G CA -0.145 44.971 45.100 0.027 0.000 0.652 227 G HN 0.399 nan 8.290 nan 0.000 0.531 228 E N 0.498 120.674 120.200 -0.040 0.000 2.313 228 E HA 0.602 4.952 4.350 -0.000 0.000 0.276 228 E C 0.467 176.950 176.600 -0.196 0.000 1.031 228 E CA 0.343 56.679 56.400 -0.107 0.000 0.857 228 E CB 1.276 30.932 29.700 -0.073 0.000 1.040 228 E HN 0.703 nan 8.360 nan 0.000 0.408 229 A N 2.402 124.968 122.820 -0.424 0.000 2.374 229 A HA 0.727 5.047 4.320 -0.000 0.000 0.317 229 A C -0.666 176.728 177.584 -0.317 0.000 1.094 229 A CA -0.697 51.036 52.037 -0.505 0.000 0.765 229 A CB 1.201 19.551 19.000 -1.084 0.000 1.268 229 A HN 0.445 nan 8.150 nan 0.000 0.438 230 V N -1.441 118.441 119.914 -0.054 0.000 3.114 230 V HA 0.772 4.892 4.120 -0.000 0.000 0.308 230 V C -1.306 174.795 176.094 0.011 0.000 1.168 230 V CA -1.069 61.276 62.300 0.074 0.000 1.015 230 V CB 1.134 32.996 31.823 0.065 0.000 1.050 230 V HN 0.759 nan 8.190 nan 0.000 0.433 231 Y N 1.372 121.790 120.300 0.197 0.000 2.354 231 Y HA 0.827 5.377 4.550 -0.000 0.000 0.322 231 Y C 0.743 176.769 175.900 0.210 0.000 1.253 231 Y CA -0.097 58.115 58.100 0.187 0.000 1.272 231 Y CB 1.564 40.130 38.460 0.177 0.000 1.255 231 Y HN 1.268 nan 8.280 nan 0.000 0.500 232 C N 0.449 119.941 119.300 0.321 0.000 3.318 232 C HA 0.809 5.269 4.460 -0.000 0.000 0.322 232 C C -1.634 173.130 174.990 -0.378 0.000 1.398 232 C CA -1.254 57.767 59.018 0.004 0.000 1.339 232 C CB 2.073 29.694 27.740 -0.199 0.000 1.668 232 C HN 0.713 nan 8.230 nan 0.000 0.462 233 K N 0.774 120.868 120.400 -0.511 0.000 2.427 233 K HA 0.661 4.981 4.320 -0.000 0.000 0.252 233 K C -1.783 174.620 176.600 -0.329 0.000 0.931 233 K CA -0.144 55.826 56.287 -0.529 0.000 0.793 233 K CB 1.748 33.897 32.500 -0.586 0.000 1.211 233 K HN 0.715 nan 8.250 nan 0.000 0.426 234 F N 2.273 122.225 119.950 0.002 0.000 2.436 234 F HA 0.386 4.913 4.527 -0.000 0.000 0.340 234 F C 0.767 176.460 175.800 -0.179 0.000 1.113 234 F CA -0.346 57.639 58.000 -0.024 0.000 1.022 234 F CB 1.092 40.122 39.000 0.049 0.000 1.128 234 F HN 0.262 nan 8.300 nan 0.000 0.466 235 H N 3.066 122.118 119.070 -0.030 0.000 2.679 235 H HA 0.343 4.899 4.556 -0.000 0.000 0.360 235 H C -1.518 173.767 175.328 -0.072 0.000 1.105 235 H CA -0.849 55.133 56.048 -0.111 0.000 1.196 235 H CB 2.297 32.062 29.762 0.005 0.000 1.636 235 H HN 0.683 nan 8.280 nan 0.000 0.531 236 Y N 0.566 120.756 120.300 -0.184 0.000 2.488 236 Y HA 0.357 4.907 4.550 -0.000 0.000 0.330 236 Y C -0.479 175.576 175.900 0.258 0.000 1.013 236 Y CA -1.313 56.804 58.100 0.027 0.000 1.304 236 Y CB 0.691 39.111 38.460 -0.067 0.000 1.098 236 Y HN 0.143 nan 8.280 nan 0.000 0.498 237 K N 2.041 122.727 120.400 0.477 0.000 2.298 237 K HA 0.154 4.474 4.320 -0.000 0.000 0.280 237 K C 0.220 177.087 176.600 0.444 0.000 1.032 237 K CA -0.280 56.249 56.287 0.404 0.000 0.958 237 K CB 1.749 34.451 32.500 0.337 0.000 0.978 237 K HN 0.801 nan 8.250 nan 0.000 0.472 238 T N 1.437 116.147 114.554 0.260 0.000 2.870 238 T HA 0.033 4.383 4.350 -0.000 0.000 0.300 238 T C 0.493 175.062 174.700 -0.217 0.000 0.989 238 T CA -0.386 61.524 62.100 -0.317 0.000 1.139 238 T CB 0.216 68.984 68.868 -0.167 0.000 0.920 238 T HN 0.303 nan 8.240 nan 0.000 0.537 239 D N 3.570 123.754 120.400 -0.360 0.000 2.323 239 D HA 0.015 4.654 4.640 -0.000 0.000 0.209 239 D C 1.654 177.866 176.300 -0.148 0.000 0.973 239 D CA 0.671 54.575 54.000 -0.159 0.000 0.874 239 D CB 0.249 40.978 40.800 -0.118 0.000 0.930 239 D HN 0.594 nan 8.370 nan 0.000 0.521 240 Q N 0.156 119.809 119.800 -0.245 0.000 2.444 240 Q HA 0.322 4.662 4.340 -0.000 0.000 0.206 240 Q C 0.709 176.761 176.000 0.086 0.000 0.948 240 Q CA 0.253 55.976 55.803 -0.133 0.000 0.946 240 Q CB 0.380 28.902 28.738 -0.360 0.000 1.027 240 Q HN 0.201 nan 8.270 nan 0.000 0.513 241 G N 0.411 109.243 108.800 0.054 0.000 2.722 241 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.686 241 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.686 241 G C -0.640 174.366 174.900 0.177 0.000 1.282 241 G CA -0.829 44.333 45.100 0.104 0.000 0.817 241 G HN 0.204 nan 8.290 nan 0.000 0.605 242 I N 1.491 122.129 120.570 0.112 0.000 2.471 242 I HA 0.399 4.569 4.170 -0.000 0.000 0.286 242 I C 0.661 176.796 176.117 0.030 0.000 1.079 242 I CA 0.283 61.652 61.300 0.115 0.000 1.398 242 I CB 1.102 39.164 38.000 0.102 0.000 1.403 242 I HN 0.560 nan 8.210 nan 0.000 0.530 243 K N 6.611 127.012 120.400 0.000 0.000 2.535 243 K HA 0.419 4.739 4.320 -0.000 0.000 0.250 243 K C -1.273 175.302 176.600 -0.043 0.000 0.948 243 K CA -0.694 55.509 56.287 -0.140 0.000 0.796 243 K CB 1.355 33.530 32.500 -0.542 0.000 1.216 243 K HN 0.536 nan 8.250 nan 0.000 0.432 244 N N 3.172 121.854 118.700 -0.031 0.000 2.592 244 N HA 0.517 5.257 4.740 -0.000 0.000 0.292 244 N C -0.864 174.632 175.510 -0.024 0.000 1.260 244 N CA -0.594 52.454 53.050 -0.003 0.000 0.910 244 N CB 1.144 39.638 38.487 0.012 0.000 1.257 244 N HN 0.373 nan 8.380 nan 0.000 0.569 245 L N 0.592 121.800 121.223 -0.025 0.000 2.346 245 L HA 0.363 4.703 4.340 -0.000 0.000 0.274 245 L C 0.702 177.553 176.870 -0.032 0.000 1.007 245 L CA -0.799 54.010 54.840 -0.051 0.000 0.818 245 L CB 1.782 43.781 42.059 -0.100 0.000 1.284 245 L HN 0.608 nan 8.230 nan 0.000 0.424 246 S N 0.956 116.637 115.700 -0.032 0.000 2.585 246 S HA 0.162 4.632 4.470 -0.000 0.000 0.273 246 S C 1.159 175.753 174.600 -0.010 0.000 1.339 246 S CA -0.854 57.339 58.200 -0.012 0.000 1.028 246 S CB 1.506 64.700 63.200 -0.011 0.000 0.906 246 S HN 0.349 nan 8.310 nan 0.000 0.528 247 V N 1.828 121.751 119.914 0.013 0.000 2.324 247 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 247 V C 2.768 178.865 176.094 0.005 0.000 1.060 247 V CA 2.542 64.856 62.300 0.023 0.000 1.042 247 V CB -1.274 30.581 31.823 0.053 0.000 0.650 247 V HN 1.070 nan 8.190 nan 0.000 0.450 248 E N -0.069 120.132 120.200 0.001 0.000 2.051 248 E HA -0.256 4.093 4.350 -0.000 0.000 0.192 248 E C 1.872 178.457 176.600 -0.025 0.000 0.991 248 E CA 1.711 58.107 56.400 -0.008 0.000 0.799 248 E CB -0.134 29.563 29.700 -0.005 0.000 0.748 248 E HN 0.599 nan 8.360 nan 0.000 0.449 249 D N 0.167 120.544 120.400 -0.038 0.000 2.097 249 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 249 D C 1.875 178.115 176.300 -0.100 0.000 0.984 249 D CA 1.494 55.455 54.000 -0.067 0.000 0.826 249 D CB -0.491 40.263 40.800 -0.076 0.000 0.973 249 D HN 0.326 nan 8.370 nan 0.000 0.460 250 A N 0.963 123.725 122.820 -0.097 0.000 1.940 250 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 250 A C 2.287 179.824 177.584 -0.079 0.000 1.176 250 A CA 2.435 54.404 52.037 -0.113 0.000 0.631 250 A CB -0.746 18.210 19.000 -0.073 0.000 0.814 250 A HN 0.248 nan 8.150 nan 0.000 0.446 251 A N -0.585 122.208 122.820 -0.044 0.000 1.873 251 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 251 A C 2.271 179.837 177.584 -0.031 0.000 1.186 251 A CA 1.644 53.666 52.037 -0.025 0.000 0.616 251 A CB -0.512 18.483 19.000 -0.008 0.000 0.823 251 A HN 0.535 nan 8.150 nan 0.000 0.442 252 R N -0.411 120.066 120.500 -0.039 0.000 2.081 252 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 252 R C 1.996 178.272 176.300 -0.040 0.000 1.131 252 R CA 1.600 57.680 56.100 -0.033 0.000 0.960 252 R CB -0.390 29.891 30.300 -0.032 0.000 0.856 252 R HN 0.538 nan 8.270 nan 0.000 0.436 253 L N 0.613 121.789 121.223 -0.079 0.000 2.141 253 L HA -0.131 4.208 4.340 -0.000 0.000 0.209 253 L C 2.532 179.372 176.870 -0.050 0.000 1.094 253 L CA 1.394 56.178 54.840 -0.094 0.000 0.763 253 L CB -0.416 41.487 42.059 -0.260 0.000 0.908 253 L HN 0.338 nan 8.230 nan 0.000 0.437 254 S N -1.026 114.644 115.700 -0.050 0.000 2.442 254 S HA -0.248 4.222 4.470 -0.000 0.000 0.236 254 S C 1.857 176.456 174.600 -0.002 0.000 1.007 254 S CA 1.185 59.374 58.200 -0.018 0.000 0.965 254 S CB -0.194 62.996 63.200 -0.016 0.000 0.773 254 S HN 0.516 nan 8.310 nan 0.000 0.504 255 Q N 1.120 120.917 119.800 -0.005 0.000 2.274 255 Q HA 0.045 4.385 4.340 -0.000 0.000 0.198 255 Q C 1.908 177.913 176.000 0.009 0.000 0.955 255 Q CA 0.934 56.738 55.803 0.003 0.000 0.859 255 Q CB -0.213 28.524 28.738 -0.001 0.000 0.956 255 Q HN 0.741 nan 8.270 nan 0.000 0.516 256 E N 0.582 120.788 120.200 0.009 0.000 2.051 256 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 256 E C -0.029 176.593 176.600 0.037 0.000 0.991 256 E CA 1.161 57.573 56.400 0.020 0.000 0.799 256 E CB 0.184 29.897 29.700 0.021 0.000 0.748 256 E HN 0.145 nan 8.360 nan 0.000 0.449 257 D N -1.418 119.014 120.400 0.053 0.000 2.381 257 D HA 0.139 4.779 4.640 -0.000 0.000 0.245 257 D C -2.346 174.008 176.300 0.089 0.000 1.297 257 D CA -2.022 52.025 54.000 0.079 0.000 0.931 257 D CB 1.187 42.064 40.800 0.129 0.000 1.334 257 D HN -0.264 nan 8.370 nan 0.000 0.535 258 P HA -0.014 nan 4.420 nan 0.000 0.223 258 P C -0.112 177.236 177.300 0.080 0.000 1.144 258 P CA 0.840 63.973 63.100 0.055 0.000 0.783 258 P CB 0.309 32.030 31.700 0.035 0.000 0.771 259 D N -2.457 117.993 120.400 0.082 0.000 2.738 259 D HA 0.048 4.688 4.640 -0.000 0.000 0.246 259 D C 1.031 177.393 176.300 0.104 0.000 1.270 259 D CA -0.441 53.608 54.000 0.082 0.000 0.833 259 D CB -0.550 40.269 40.800 0.031 0.000 1.040 259 D HN 0.191 nan 8.370 nan 0.000 0.487 260 Y N 1.893 122.192 120.300 -0.002 0.000 2.081 260 Y HA -0.252 4.298 4.550 -0.000 0.000 0.280 260 Y C 2.359 178.236 175.900 -0.039 0.000 1.163 260 Y CA 2.346 60.436 58.100 -0.017 0.000 1.135 260 Y CB -0.168 38.274 38.460 -0.030 0.000 0.970 260 Y HN 0.131 nan 8.280 nan 0.000 0.498 261 G N 0.249 109.076 108.800 0.044 0.000 2.440 261 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 261 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 261 G C 1.676 176.563 174.900 -0.021 0.000 1.154 261 G CA 1.362 46.339 45.100 -0.206 0.000 0.767 261 G HN 0.521 nan 8.290 nan 0.000 0.552 262 I N -0.067 120.577 120.570 0.123 0.000 2.142 262 I HA -0.140 4.029 4.170 -0.000 0.000 0.240 262 I C 2.844 179.043 176.117 0.137 0.000 1.078 262 I CA 1.240 62.655 61.300 0.192 0.000 1.343 262 I CB -0.289 37.804 38.000 0.156 0.000 1.046 262 I HN 0.111 nan 8.210 nan 0.000 0.405 263 R N 1.047 121.567 120.500 0.032 0.000 2.083 263 R HA -0.265 4.075 4.340 -0.000 0.000 0.237 263 R C 2.007 178.307 176.300 0.000 0.000 1.137 263 R CA 2.529 58.633 56.100 0.008 0.000 0.951 263 R CB -0.388 29.878 30.300 -0.055 0.000 0.851 263 R HN 0.380 nan 8.270 nan 0.000 0.434 264 D N -0.090 120.215 120.400 -0.159 0.000 2.092 264 D HA -0.222 4.418 4.640 -0.000 0.000 0.193 264 D C 1.976 178.252 176.300 -0.039 0.000 0.994 264 D CA 1.368 55.251 54.000 -0.197 0.000 0.828 264 D CB -0.081 40.467 40.800 -0.421 0.000 0.963 264 D HN 0.206 nan 8.370 nan 0.000 0.450 265 L N -0.571 120.666 121.223 0.023 0.000 2.017 265 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 265 L C 2.049 179.017 176.870 0.164 0.000 1.073 265 L CA 1.655 56.558 54.840 0.105 0.000 0.745 265 L CB -1.051 41.124 42.059 0.193 0.000 0.894 265 L HN 0.189 nan 8.230 nan 0.000 0.432 266 F N 0.615 120.618 119.950 0.090 0.000 2.069 266 F HA -0.288 4.239 4.527 -0.000 0.000 0.298 266 F C 2.383 178.239 175.800 0.092 0.000 1.113 266 F CA 2.120 60.188 58.000 0.112 0.000 1.214 266 F CB -0.451 38.614 39.000 0.108 0.000 0.978 266 F HN 0.252 nan 8.300 nan 0.000 0.474 267 N N 0.610 119.504 118.700 0.324 0.000 2.166 267 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 267 N C 1.952 177.508 175.510 0.077 0.000 1.019 267 N CA 1.336 54.506 53.050 0.199 0.000 0.856 267 N CB -0.831 37.735 38.487 0.132 0.000 0.993 267 N HN 0.425 nan 8.380 nan 0.000 0.426 268 A N 1.381 124.229 122.820 0.046 0.000 1.858 268 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 268 A C 2.332 179.920 177.584 0.005 0.000 1.190 268 A CA 1.045 53.085 52.037 0.004 0.000 0.617 268 A CB -0.690 18.308 19.000 -0.003 0.000 0.827 268 A HN 0.215 nan 8.150 nan 0.000 0.443 269 I N -0.347 120.256 120.570 0.056 0.000 2.252 269 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 269 I C 2.931 179.102 176.117 0.091 0.000 1.102 269 I CA 0.958 62.352 61.300 0.157 0.000 1.385 269 I CB -0.376 37.682 38.000 0.097 0.000 1.064 269 I HN 0.357 nan 8.210 nan 0.000 0.414 270 A N 0.709 123.505 122.820 -0.039 0.000 1.972 270 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 270 A C 2.226 179.828 177.584 0.030 0.000 1.169 270 A CA 2.255 54.283 52.037 -0.014 0.000 0.635 270 A CB -0.981 18.049 19.000 0.050 0.000 0.810 270 A HN 0.530 nan 8.150 nan 0.000 0.446 271 T N -5.006 109.546 114.554 -0.003 0.000 3.122 271 T HA 0.442 4.792 4.350 -0.000 0.000 0.250 271 T C 1.254 175.869 174.700 -0.140 0.000 1.067 271 T CA 0.971 63.049 62.100 -0.037 0.000 0.966 271 T CB 0.258 69.115 68.868 -0.017 0.000 1.002 271 T HN 1.646 nan 8.240 nan 0.000 0.542 272 G N 1.976 110.610 108.800 -0.276 0.000 2.175 272 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 272 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 272 G C 0.181 174.586 174.900 -0.826 0.000 0.982 272 G CA -0.132 44.564 45.100 -0.673 0.000 0.641 272 G HN 0.578 nan 8.290 nan 0.000 0.527 273 K N 1.213 121.356 120.400 -0.429 0.000 2.502 273 K HA 0.296 4.616 4.320 -0.000 0.000 0.244 273 K C -0.329 176.180 176.600 -0.152 0.000 1.249 273 K CA -0.371 55.759 56.287 -0.263 0.000 1.193 273 K CB -0.221 32.203 32.500 -0.128 0.000 1.674 273 K HN 0.524 nan 8.250 nan 0.000 0.302 274 Y N 3.208 123.509 120.300 0.002 0.000 2.650 274 Y HA 0.011 4.561 4.550 -0.000 0.000 0.342 274 Y C -1.416 174.479 175.900 -0.008 0.000 1.110 274 Y CA -2.206 55.905 58.100 0.018 0.000 1.438 274 Y CB -0.283 38.203 38.460 0.042 0.000 1.181 274 Y HN 0.337 nan 8.280 nan 0.000 0.526 275 P HA 0.079 nan 4.420 nan 0.000 0.275 275 P C -0.683 176.627 177.300 0.016 0.000 1.228 275 P CA -0.180 62.890 63.100 -0.051 0.000 0.786 275 P CB 1.600 33.267 31.700 -0.055 0.000 0.927 276 S N 1.505 117.064 115.700 -0.234 0.000 2.588 276 S HA 0.698 5.168 4.470 -0.000 0.000 0.275 276 S C -1.442 173.085 174.600 -0.121 0.000 1.130 276 S CA -0.811 57.416 58.200 0.046 0.000 0.855 276 S CB 1.636 64.878 63.200 0.071 0.000 1.116 276 S HN 0.538 nan 8.310 nan 0.000 0.472 277 W N 0.587 122.011 121.300 0.207 0.000 2.936 277 W HA 0.423 5.083 4.660 0.000 0.000 0.338 277 W C -0.892 175.778 176.519 0.251 0.000 1.121 277 W CA -0.777 56.731 57.345 0.271 0.000 1.209 277 W CB 2.547 32.248 29.460 0.403 0.000 1.420 277 W HN 0.607 nan 8.180 nan 0.000 0.516 278 T N 2.787 117.599 114.554 0.429 0.000 2.743 278 T HA 0.233 4.583 4.350 -0.000 0.000 0.293 278 T C -0.697 174.162 174.700 0.264 0.000 0.945 278 T CA -0.171 62.076 62.100 0.244 0.000 1.030 278 T CB 0.460 69.398 68.868 0.116 0.000 0.912 278 T HN 0.120 nan 8.240 nan 0.000 0.483 279 F N 4.235 124.240 119.950 0.091 0.000 2.420 279 F HA 0.516 5.043 4.527 -0.000 0.000 0.352 279 F C -0.658 175.146 175.800 0.007 0.000 1.108 279 F CA -0.407 57.718 58.000 0.209 0.000 1.162 279 F CB 0.355 39.585 39.000 0.382 0.000 1.118 279 F HN 0.534 nan 8.300 nan 0.000 0.510 280 Y N 5.117 125.411 120.300 -0.011 0.000 2.665 280 Y HA 0.687 5.236 4.550 -0.000 0.000 0.336 280 Y C -0.395 175.525 175.900 0.033 0.000 1.085 280 Y CA -1.373 56.757 58.100 0.049 0.000 1.096 280 Y CB 1.759 40.213 38.460 -0.010 0.000 1.301 280 Y HN 0.444 nan 8.280 nan 0.000 0.493 281 I N -1.271 119.461 120.570 0.271 0.000 2.827 281 I HA 0.603 4.773 4.170 -0.000 0.000 0.298 281 I C -1.673 174.505 176.117 0.103 0.000 1.235 281 I CA -1.073 60.328 61.300 0.168 0.000 1.021 281 I CB 2.514 40.573 38.000 0.099 0.000 1.259 281 I HN 0.509 nan 8.210 nan 0.000 0.427 282 Q N 3.001 122.857 119.800 0.093 0.000 2.274 282 Q HA 0.742 5.082 4.340 -0.000 0.000 0.260 282 Q C -1.348 174.776 176.000 0.206 0.000 0.974 282 Q CA -1.008 54.908 55.803 0.187 0.000 0.876 282 Q CB 3.221 32.151 28.738 0.319 0.000 1.297 282 Q HN 0.604 nan 8.270 nan 0.000 0.446 283 V N 3.135 123.170 119.914 0.201 0.000 2.604 283 V HA 0.531 4.651 4.120 -0.000 0.000 0.305 283 V C -0.611 175.564 176.094 0.134 0.000 1.043 283 V CA -0.675 61.671 62.300 0.076 0.000 0.888 283 V CB 1.856 33.479 31.823 -0.333 0.000 0.995 283 V HN 0.777 nan 8.190 nan 0.000 0.429 284 M N 4.833 124.443 119.600 0.015 0.000 2.165 284 M HA 0.445 4.925 4.480 -0.000 0.000 0.283 284 M C 0.037 176.337 176.300 -0.000 0.000 0.978 284 M CA -0.319 54.865 55.300 -0.193 0.000 0.948 284 M CB 1.951 33.930 32.600 -1.034 0.000 1.599 284 M HN 0.898 nan 8.290 nan 0.000 0.450 285 T N 0.985 115.582 114.554 0.071 0.000 2.813 285 T HA 0.233 4.583 4.350 -0.000 0.000 0.297 285 T C 0.767 175.597 174.700 0.217 0.000 1.036 285 T CA -0.227 61.969 62.100 0.160 0.000 1.044 285 T CB 0.471 69.421 68.868 0.137 0.000 0.993 285 T HN 0.533 nan 8.240 nan 0.000 0.535 286 F N 1.203 121.145 119.950 -0.013 0.000 2.216 286 F HA 0.008 4.535 4.527 -0.000 0.000 0.300 286 F C 2.515 178.351 175.800 0.060 0.000 1.085 286 F CA 1.266 59.297 58.000 0.052 0.000 1.326 286 F CB -1.100 37.899 39.000 -0.001 0.000 1.027 286 F HN 0.659 nan 8.300 nan 0.000 0.497 287 N N 0.356 119.187 118.700 0.218 0.000 2.142 287 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 287 N C 1.636 177.196 175.510 0.084 0.000 1.023 287 N CA 1.503 54.629 53.050 0.126 0.000 0.852 287 N CB -0.259 38.286 38.487 0.096 0.000 0.998 287 N HN 0.353 nan 8.380 nan 0.000 0.424 288 Q N -0.727 119.118 119.800 0.074 0.000 2.230 288 Q HA 0.106 4.446 4.340 -0.000 0.000 0.202 288 Q C 1.877 177.866 176.000 -0.017 0.000 0.963 288 Q CA 1.077 56.910 55.803 0.051 0.000 0.866 288 Q CB -0.100 28.687 28.738 0.082 0.000 0.931 288 Q HN 0.506 nan 8.270 nan 0.000 0.452 289 A N 1.038 123.818 122.820 -0.067 0.000 2.070 289 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 289 A C 1.755 179.289 177.584 -0.083 0.000 1.159 289 A CA 1.079 53.008 52.037 -0.180 0.000 0.656 289 A CB -0.087 18.830 19.000 -0.139 0.000 0.800 289 A HN 0.175 nan 8.150 nan 0.000 0.453 290 E N -0.392 119.807 120.200 -0.001 0.000 2.076 290 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 290 E C 2.248 178.857 176.600 0.014 0.000 0.979 290 E CA 1.752 58.162 56.400 0.016 0.000 0.807 290 E CB -0.797 28.925 29.700 0.037 0.000 0.761 290 E HN 0.789 nan 8.360 nan 0.000 0.454 291 T N -1.547 113.025 114.554 0.029 0.000 3.067 291 T HA -0.001 4.349 4.350 -0.000 0.000 0.261 291 T C 0.877 175.597 174.700 0.032 0.000 1.110 291 T CA -0.367 61.746 62.100 0.021 0.000 1.113 291 T CB -0.578 68.306 68.868 0.027 0.000 0.917 291 T HN -0.009 nan 8.240 nan 0.000 0.499 292 F N 3.576 123.459 119.950 -0.112 0.000 2.612 292 F HA 0.176 4.703 4.527 -0.000 0.000 0.389 292 F C -1.415 174.292 175.800 -0.154 0.000 1.055 292 F CA -2.045 55.880 58.000 -0.124 0.000 1.232 292 F CB 0.839 39.706 39.000 -0.221 0.000 1.044 292 F HN 0.029 nan 8.300 nan 0.000 0.560 293 P HA -0.114 nan 4.420 nan 0.000 0.226 293 P C -0.721 175.927 177.300 -1.086 0.000 1.146 293 P CA 1.464 64.042 63.100 -0.871 0.000 0.773 293 P CB 0.031 31.122 31.700 -1.016 0.000 0.772 294 F N -2.640 116.977 119.950 -0.555 0.000 2.691 294 F HA 0.369 4.896 4.527 -0.000 0.000 0.334 294 F C 0.634 176.495 175.800 0.101 0.000 1.107 294 F CA -1.446 56.453 58.000 -0.168 0.000 0.991 294 F CB 0.031 38.967 39.000 -0.107 0.000 1.400 294 F HN -0.467 nan 8.300 nan 0.000 0.503 295 N N 3.363 122.244 118.700 0.301 0.000 2.405 295 N HA 0.179 4.919 4.740 -0.000 0.000 0.260 295 N C -1.786 173.758 175.510 0.057 0.000 1.152 295 N CA -2.241 50.881 53.050 0.120 0.000 0.948 295 N CB 0.809 39.356 38.487 0.101 0.000 1.111 295 N HN 0.173 nan 8.380 nan 0.000 0.485 296 P HA -0.087 nan 4.420 nan 0.000 0.229 296 P C -0.009 176.960 177.300 -0.552 0.000 1.150 296 P CA 0.989 63.727 63.100 -0.604 0.000 0.765 296 P CB -0.057 30.954 31.700 -1.149 0.000 0.783 297 F N -0.899 119.025 119.950 -0.043 0.000 2.661 297 F HA 0.261 4.789 4.527 0.000 0.000 0.306 297 F C 0.805 176.584 175.800 -0.035 0.000 1.094 297 F CA -1.325 56.618 58.000 -0.094 0.000 1.254 297 F CB -0.496 38.409 39.000 -0.157 0.000 1.040 297 F HN -0.171 nan 8.300 nan 0.000 0.562 298 D N 1.459 121.924 120.400 0.109 0.000 2.325 298 D HA 0.037 4.676 4.640 -0.000 0.000 0.251 298 D C 1.114 177.435 176.300 0.034 0.000 1.196 298 D CA 0.045 54.096 54.000 0.085 0.000 0.866 298 D CB 1.130 41.983 40.800 0.089 0.000 1.101 298 D HN 0.108 nan 8.370 nan 0.000 0.476 299 L N 3.985 125.225 121.223 0.029 0.000 2.549 299 L HA -0.039 4.301 4.340 -0.000 0.000 0.229 299 L C 1.970 178.786 176.870 -0.089 0.000 1.158 299 L CA 1.491 56.312 54.840 -0.032 0.000 0.842 299 L CB -0.558 41.510 42.059 0.014 0.000 0.952 299 L HN 0.618 nan 8.230 nan 0.000 0.452 300 T N -4.246 110.269 114.554 -0.065 0.000 3.107 300 T HA 0.146 4.496 4.350 -0.000 0.000 0.249 300 T C 0.679 175.326 174.700 -0.089 0.000 1.096 300 T CA -0.267 61.763 62.100 -0.117 0.000 1.012 300 T CB -0.016 68.810 68.868 -0.070 0.000 0.977 300 T HN -0.038 nan 8.240 nan 0.000 0.527 301 K N 1.762 122.106 120.400 -0.094 0.000 2.267 301 K HA 0.701 5.021 4.320 -0.000 0.000 0.246 301 K C -0.259 176.304 176.600 -0.061 0.000 0.954 301 K CA -0.795 55.440 56.287 -0.087 0.000 0.824 301 K CB 2.491 34.956 32.500 -0.058 0.000 1.167 301 K HN 0.182 nan 8.250 nan 0.000 0.431 302 V N -2.394 117.529 119.914 0.016 0.000 3.113 302 V HA 0.637 4.757 4.120 -0.000 0.000 0.316 302 V C -1.274 175.025 176.094 0.341 0.000 1.125 302 V CA -1.031 61.284 62.300 0.025 0.000 1.026 302 V CB 1.838 33.656 31.823 -0.008 0.000 1.080 302 V HN 0.569 nan 8.190 nan 0.000 0.444 303 W N 1.057 122.366 121.300 0.015 0.000 2.291 303 W HA 0.612 5.272 4.660 -0.000 0.000 0.312 303 W C -2.581 174.049 176.519 0.186 0.000 1.061 303 W CA -2.813 54.588 57.345 0.092 0.000 1.296 303 W CB 0.132 29.467 29.460 -0.209 0.000 1.223 303 W HN 0.410 nan 8.180 nan 0.000 0.421 304 P HA -0.056 nan 4.420 nan 0.000 0.261 304 P C 0.808 178.286 177.300 0.297 0.000 1.183 304 P CA 0.742 64.004 63.100 0.270 0.000 0.761 304 P CB 0.450 32.319 31.700 0.281 0.000 0.785 305 H N 2.023 121.227 119.070 0.224 0.000 2.426 305 H HA -0.215 4.340 4.556 -0.000 0.000 0.298 305 H C 2.013 177.397 175.328 0.094 0.000 1.107 305 H CA 1.305 57.437 56.048 0.140 0.000 1.298 305 H CB 0.153 29.954 29.762 0.065 0.000 1.377 305 H HN 0.442 nan 8.280 nan 0.000 0.519 306 K N 0.687 121.208 120.400 0.202 0.000 2.032 306 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 306 K C 1.236 177.844 176.600 0.013 0.000 1.048 306 K CA 2.057 58.401 56.287 0.096 0.000 0.927 306 K CB 0.142 32.689 32.500 0.079 0.000 0.712 306 K HN 0.360 nan 8.250 nan 0.000 0.441 307 D N -1.167 119.216 120.400 -0.029 0.000 2.249 307 D HA -0.071 4.569 4.640 -0.000 0.000 0.205 307 D C -0.164 175.703 176.300 -0.721 0.000 0.962 307 D CA 0.866 54.660 54.000 -0.344 0.000 0.860 307 D CB 0.322 40.911 40.800 -0.351 0.000 0.955 307 D HN 0.234 nan 8.370 nan 0.000 0.505 308 Y N 0.275 120.659 120.300 0.141 0.000 2.681 308 Y HA 0.316 4.866 4.550 -0.000 0.000 0.347 308 Y C -2.483 173.514 175.900 0.162 0.000 1.029 308 Y CA -2.437 55.753 58.100 0.149 0.000 1.279 308 Y CB 1.442 40.039 38.460 0.229 0.000 1.096 308 Y HN -0.216 nan 8.280 nan 0.000 0.580 309 P HA 0.046 nan 4.420 nan 0.000 0.269 309 P C -0.164 177.167 177.300 0.051 0.000 1.209 309 P CA -0.069 63.082 63.100 0.085 0.000 0.776 309 P CB 0.930 32.658 31.700 0.047 0.000 0.876 310 L N 3.429 124.596 121.223 -0.094 0.000 2.410 310 L HA 0.197 4.537 4.340 -0.000 0.000 0.273 310 L C 0.466 177.355 176.870 0.031 0.000 1.152 310 L CA 0.174 54.912 54.840 -0.170 0.000 0.855 310 L CB -0.197 41.502 42.059 -0.600 0.000 1.129 310 L HN 0.251 nan 8.230 nan 0.000 0.463 311 I N 5.828 126.487 120.570 0.149 0.000 2.339 311 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 311 I C -1.996 174.269 176.117 0.246 0.000 0.994 311 I CA -2.117 59.288 61.300 0.175 0.000 1.191 311 I CB 1.768 39.858 38.000 0.150 0.000 1.343 311 I HN 0.365 nan 8.210 nan 0.000 0.458 312 P HA 0.069 nan 4.420 nan 0.000 0.271 312 P C 0.075 177.288 177.300 -0.144 0.000 1.216 312 P CA 0.063 63.011 63.100 -0.252 0.000 0.776 312 P CB 2.243 33.555 31.700 -0.646 0.000 0.881 313 V N 1.791 121.740 119.914 0.059 0.000 3.102 313 V HA 0.431 4.551 4.120 -0.000 0.000 0.225 313 V C 1.058 177.362 176.094 0.350 0.000 1.301 313 V CA 1.289 63.761 62.300 0.287 0.000 1.308 313 V CB 0.178 32.265 31.823 0.440 0.000 1.129 313 V HN 0.844 nan 8.190 nan 0.000 0.502 314 G N -0.313 108.709 108.800 0.371 0.000 2.578 314 G HA2 0.508 4.468 3.960 -0.000 0.000 0.302 314 G HA3 0.508 4.468 3.960 -0.000 0.000 0.302 314 G C -1.963 173.074 174.900 0.229 0.000 1.243 314 G CA -0.437 44.779 45.100 0.195 0.000 0.843 314 G HN -0.045 nan 8.290 nan 0.000 0.486 315 K N -0.397 120.054 120.400 0.084 0.000 2.375 315 K HA 0.665 4.985 4.320 -0.000 0.000 0.249 315 K C -1.643 175.092 176.600 0.225 0.000 0.942 315 K CA -0.803 55.592 56.287 0.180 0.000 0.806 315 K CB 2.550 35.111 32.500 0.101 0.000 1.227 315 K HN 0.220 nan 8.250 nan 0.000 0.430 316 L N 2.323 123.727 121.223 0.303 0.000 2.319 316 L HA 0.399 4.739 4.340 -0.000 0.000 0.281 316 L C -1.021 175.944 176.870 0.158 0.000 1.005 316 L CA -0.734 54.249 54.840 0.239 0.000 0.828 316 L CB 1.661 43.900 42.059 0.299 0.000 1.227 316 L HN 0.262 nan 8.230 nan 0.000 0.415 317 V N 5.339 125.146 119.914 -0.179 0.000 2.487 317 V HA 0.480 4.600 4.120 -0.000 0.000 0.298 317 V C -0.681 175.299 176.094 -0.189 0.000 1.028 317 V CA -0.747 61.404 62.300 -0.247 0.000 0.860 317 V CB 2.043 33.459 31.823 -0.679 0.000 0.991 317 V HN 0.325 nan 8.190 nan 0.000 0.427 318 L N 5.554 126.810 121.223 0.054 0.000 2.277 318 L HA 0.530 4.869 4.340 -0.000 0.000 0.284 318 L C 0.478 177.361 176.870 0.022 0.000 1.028 318 L CA 0.031 54.917 54.840 0.076 0.000 0.835 318 L CB 1.145 43.338 42.059 0.223 0.000 1.215 318 L HN 0.888 nan 8.230 nan 0.000 0.425 319 N N 2.229 120.851 118.700 -0.130 0.000 2.241 319 N HA 0.172 4.912 4.740 -0.000 0.000 0.238 319 N C -0.016 175.343 175.510 -0.252 0.000 1.244 319 N CA -0.361 52.388 53.050 -0.503 0.000 0.880 319 N CB 0.585 38.578 38.487 -0.824 0.000 1.179 319 N HN 0.421 nan 8.380 nan 0.000 0.513 320 R N 0.251 120.741 120.500 -0.016 0.000 2.522 320 R HA 0.339 4.678 4.340 -0.000 0.000 0.283 320 R C -1.366 175.018 176.300 0.139 0.000 1.074 320 R CA -0.526 55.606 56.100 0.053 0.000 0.925 320 R CB 0.929 31.280 30.300 0.085 0.000 1.205 320 R HN 0.001 nan 8.270 nan 0.000 0.436 321 N N 3.095 121.818 118.700 0.039 0.000 2.445 321 N HA 0.337 5.077 4.740 -0.000 0.000 0.264 321 N C -2.440 173.210 175.510 0.234 0.000 1.227 321 N CA -1.462 51.610 53.050 0.037 0.000 0.963 321 N CB 0.873 39.116 38.487 -0.406 0.000 1.188 321 N HN 0.367 nan 8.380 nan 0.000 0.491 322 P HA 0.134 nan 4.420 nan 0.000 0.275 322 P C 0.559 178.037 177.300 0.297 0.000 1.228 322 P CA -0.348 62.978 63.100 0.377 0.000 0.786 322 P CB 0.944 32.889 31.700 0.408 0.000 0.927 323 V N 0.717 120.744 119.914 0.189 0.000 2.685 323 V HA 0.037 4.157 4.120 -0.000 0.000 0.244 323 V C 0.885 177.098 176.094 0.198 0.000 1.054 323 V CA 1.222 63.633 62.300 0.185 0.000 1.076 323 V CB -0.534 31.354 31.823 0.107 0.000 0.725 323 V HN 0.645 nan 8.190 nan 0.000 0.467 324 N N -1.146 117.663 118.700 0.181 0.000 2.504 324 N HA 0.135 4.874 4.740 -0.000 0.000 0.280 324 N C 0.221 175.883 175.510 0.254 0.000 1.052 324 N CA -0.386 52.785 53.050 0.202 0.000 0.887 324 N CB 1.920 40.502 38.487 0.158 0.000 1.323 324 N HN 0.227 nan 8.380 nan 0.000 0.509 325 Y N 4.498 124.911 120.300 0.187 0.000 2.128 325 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 325 Y C 1.761 177.771 175.900 0.183 0.000 1.154 325 Y CA 1.858 60.072 58.100 0.191 0.000 1.149 325 Y CB -0.137 38.426 38.460 0.171 0.000 0.976 325 Y HN 0.666 nan 8.280 nan 0.000 0.505 326 F N 0.370 120.490 119.950 0.283 0.000 2.046 326 F HA -0.251 4.276 4.527 -0.000 0.000 0.297 326 F C 2.395 178.231 175.800 0.058 0.000 1.123 326 F CA 2.045 60.150 58.000 0.174 0.000 1.199 326 F CB -0.876 38.215 39.000 0.151 0.000 0.972 326 F HN 0.083 nan 8.300 nan 0.000 0.474 327 A N -0.360 122.591 122.820 0.219 0.000 1.933 327 A HA -0.197 4.122 4.320 -0.000 0.000 0.218 327 A C 1.999 179.565 177.584 -0.029 0.000 1.175 327 A CA 2.087 54.176 52.037 0.087 0.000 0.628 327 A CB -0.701 18.388 19.000 0.148 0.000 0.814 327 A HN 0.633 nan 8.150 nan 0.000 0.444 328 E N -1.475 118.723 120.200 -0.004 0.000 2.389 328 E HA 0.119 4.469 4.350 -0.000 0.000 0.199 328 E C 1.461 178.060 176.600 -0.003 0.000 0.978 328 E CA 0.590 57.025 56.400 0.058 0.000 0.912 328 E CB 0.453 30.260 29.700 0.179 0.000 0.907 328 E HN 0.413 nan 8.360 nan 0.000 0.494 329 V N 0.306 120.067 119.914 -0.255 0.000 2.840 329 V HA -0.046 4.074 4.120 -0.000 0.000 0.234 329 V C 2.039 177.891 176.094 -0.402 0.000 1.159 329 V CA 0.818 62.851 62.300 -0.445 0.000 1.194 329 V CB 0.001 31.224 31.823 -1.000 0.000 0.971 329 V HN 0.013 nan 8.190 nan 0.000 0.494 330 E N 0.983 120.909 120.200 -0.456 0.000 2.110 330 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 330 E C 2.114 178.514 176.600 -0.334 0.000 0.988 330 E CA 1.674 57.910 56.400 -0.273 0.000 0.804 330 E CB -0.176 29.397 29.700 -0.211 0.000 0.745 330 E HN 0.617 nan 8.360 nan 0.000 0.458 331 Q N -0.336 119.202 119.800 -0.437 0.000 2.425 331 Q HA 0.133 4.473 4.340 -0.000 0.000 0.204 331 Q C 0.534 176.388 176.000 -0.244 0.000 0.933 331 Q CA -0.225 55.367 55.803 -0.351 0.000 0.939 331 Q CB 0.218 28.736 28.738 -0.366 0.000 1.044 331 Q HN 0.373 nan 8.270 nan 0.000 0.513 332 I N 0.833 121.259 120.570 -0.239 0.000 2.836 332 I HA 0.077 4.247 4.170 -0.000 0.000 0.285 332 I C -0.689 175.195 176.117 -0.388 0.000 1.174 332 I CA -0.111 61.003 61.300 -0.310 0.000 1.405 332 I CB 0.610 38.403 38.000 -0.345 0.000 1.385 332 I HN -0.041 nan 8.210 nan 0.000 0.594 333 A N 7.298 129.774 122.820 -0.574 0.000 2.408 333 A HA 0.664 4.983 4.320 -0.000 0.000 0.295 333 A C -1.404 175.849 177.584 -0.551 0.000 1.040 333 A CA -0.422 51.231 52.037 -0.640 0.000 0.707 333 A CB 0.660 19.070 19.000 -0.985 0.000 1.235 333 A HN 0.568 nan 8.150 nan 0.000 0.418 334 F N 1.518 121.469 119.950 0.003 0.000 2.458 334 F HA 0.504 5.031 4.527 -0.000 0.000 0.336 334 F C -0.263 175.661 175.800 0.206 0.000 1.114 334 F CA -0.449 57.570 58.000 0.031 0.000 0.987 334 F CB 2.224 41.178 39.000 -0.077 0.000 1.130 334 F HN 0.414 nan 8.300 nan 0.000 0.458 335 D N 4.630 125.179 120.400 0.249 0.000 2.471 335 D HA 0.232 4.872 4.640 -0.000 0.000 0.245 335 D C -2.062 174.228 176.300 -0.018 0.000 1.116 335 D CA -1.563 52.527 54.000 0.150 0.000 0.853 335 D CB 2.096 43.038 40.800 0.236 0.000 1.123 335 D HN 0.157 nan 8.370 nan 0.000 0.540 336 P HA -0.165 nan 4.420 nan 0.000 0.220 336 P C 1.385 178.713 177.300 0.048 0.000 1.144 336 P CA 1.105 64.137 63.100 -0.114 0.000 0.800 336 P CB 0.280 31.825 31.700 -0.257 0.000 0.772 337 S N -2.538 113.186 115.700 0.040 0.000 2.515 337 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 337 S C 1.037 175.695 174.600 0.097 0.000 0.987 337 S CA 0.324 58.574 58.200 0.083 0.000 0.936 337 S CB -1.029 62.221 63.200 0.083 0.000 0.766 337 S HN 0.047 nan 8.310 nan 0.000 0.528 338 N N 2.414 121.176 118.700 0.102 0.000 2.671 338 N HA 0.341 5.081 4.740 -0.000 0.000 0.274 338 N C -0.976 174.631 175.510 0.162 0.000 1.188 338 N CA 0.534 53.647 53.050 0.105 0.000 1.065 338 N CB -0.078 38.460 38.487 0.084 0.000 1.415 338 N HN 0.558 nan 8.380 nan 0.000 0.511 339 M N 2.470 122.128 119.600 0.097 0.000 2.259 339 M HA 0.413 4.893 4.480 -0.000 0.000 0.304 339 M C -2.271 173.987 176.300 -0.071 0.000 1.019 339 M CA -1.641 53.667 55.300 0.014 0.000 0.922 339 M CB 2.867 35.486 32.600 0.032 0.000 1.600 339 M HN 0.099 nan 8.290 nan 0.000 0.433 340 P HA 0.486 nan 4.420 nan 0.000 0.280 340 P C -2.868 174.333 177.300 -0.165 0.000 1.272 340 P CA -1.720 61.282 63.100 -0.163 0.000 0.819 340 P CB -0.330 31.237 31.700 -0.221 0.000 1.122 341 P HA 0.102 nan 4.420 nan 0.000 0.262 341 P C 0.931 178.167 177.300 -0.106 0.000 1.182 341 P CA 1.504 64.558 63.100 -0.077 0.000 0.761 341 P CB -0.217 31.450 31.700 -0.054 0.000 0.795 342 G N 2.456 111.217 108.800 -0.066 0.000 2.238 342 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 342 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 342 G C -0.030 174.841 174.900 -0.049 0.000 0.996 342 G CA -0.378 44.693 45.100 -0.048 0.000 0.632 342 G HN 0.488 nan 8.290 nan 0.000 0.503 343 I N 1.311 121.812 120.570 -0.115 0.000 2.478 343 I HA 0.568 4.738 4.170 -0.000 0.000 0.287 343 I C -0.341 175.777 176.117 0.002 0.000 1.042 343 I CA -0.643 60.598 61.300 -0.099 0.000 1.067 343 I CB 1.945 39.693 38.000 -0.420 0.000 1.233 343 I HN 0.126 nan 8.210 nan 0.000 0.431 344 E N 3.416 123.696 120.200 0.134 0.000 2.423 344 E HA 0.771 5.121 4.350 -0.000 0.000 0.269 344 E C -0.880 175.907 176.600 0.313 0.000 0.948 344 E CA -1.066 55.445 56.400 0.186 0.000 0.802 344 E CB 2.316 32.112 29.700 0.160 0.000 1.339 344 E HN 0.616 nan 8.360 nan 0.000 0.445 345 A N 0.775 123.740 122.820 0.241 0.000 2.286 345 A HA 0.545 4.865 4.320 -0.000 0.000 0.286 345 A C -0.001 177.646 177.584 0.105 0.000 1.097 345 A CA -0.315 51.826 52.037 0.174 0.000 0.821 345 A CB 0.629 19.668 19.000 0.066 0.000 1.076 345 A HN 0.521 nan 8.150 nan 0.000 0.490 346 S N 0.458 116.123 115.700 -0.058 0.000 2.718 346 S HA 0.647 5.117 4.470 -0.000 0.000 0.300 346 S C -2.214 172.177 174.600 -0.348 0.000 1.117 346 S CA -1.181 56.926 58.200 -0.156 0.000 1.002 346 S CB 1.375 64.436 63.200 -0.231 0.000 1.092 346 S HN 0.496 nan 8.310 nan 0.000 0.542 347 P HA 0.048 nan 4.420 nan 0.000 0.252 347 P C -0.251 176.808 177.300 -0.402 0.000 1.265 347 P CA 0.132 62.919 63.100 -0.520 0.000 0.775 347 P CB -0.563 30.786 31.700 -0.585 0.000 1.128 348 D N 1.459 121.654 120.400 -0.342 0.000 2.426 348 D HA -0.054 4.586 4.640 -0.000 0.000 0.261 348 D C 1.139 177.352 176.300 -0.144 0.000 1.245 348 D CA 0.322 54.240 54.000 -0.135 0.000 0.917 348 D CB 0.732 41.467 40.800 -0.110 0.000 1.123 348 D HN 0.034 nan 8.370 nan 0.000 0.508 349 K N 3.525 123.883 120.400 -0.070 0.000 2.089 349 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 349 K C 1.983 178.551 176.600 -0.055 0.000 1.048 349 K CA 1.081 57.337 56.287 -0.052 0.000 0.926 349 K CB -0.042 32.461 32.500 0.005 0.000 0.714 349 K HN 0.519 nan 8.250 nan 0.000 0.448 350 M N 0.473 120.055 119.600 -0.030 0.000 2.086 350 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 350 M C 2.369 178.561 176.300 -0.179 0.000 1.067 350 M CA 1.209 56.495 55.300 -0.022 0.000 1.116 350 M CB -0.908 31.758 32.600 0.109 0.000 1.348 350 M HN 0.174 nan 8.290 nan 0.000 0.407 351 L N 1.049 122.001 121.223 -0.452 0.000 2.046 351 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 351 L C 2.417 179.090 176.870 -0.329 0.000 1.077 351 L CA 1.853 56.237 54.840 -0.760 0.000 0.747 351 L CB -0.888 40.581 42.059 -0.983 0.000 0.896 351 L HN 0.306 nan 8.230 nan 0.000 0.432 352 Q N -0.205 119.462 119.800 -0.221 0.000 2.135 352 Q HA -0.127 4.212 4.340 -0.000 0.000 0.204 352 Q C 2.124 178.099 176.000 -0.041 0.000 0.981 352 Q CA 1.625 57.359 55.803 -0.116 0.000 0.856 352 Q CB -0.759 27.912 28.738 -0.111 0.000 0.902 352 Q HN 0.689 nan 8.270 nan 0.000 0.425 353 G N 0.863 109.641 108.800 -0.037 0.000 2.408 353 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 353 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 353 G C 1.518 176.468 174.900 0.082 0.000 1.150 353 G CA 0.260 45.381 45.100 0.035 0.000 0.776 353 G HN 0.266 nan 8.290 nan 0.000 0.542 354 R N -0.606 119.901 120.500 0.012 0.000 2.148 354 R HA 0.046 4.386 4.340 -0.000 0.000 0.227 354 R C 2.315 178.687 176.300 0.120 0.000 1.103 354 R CA 0.326 56.494 56.100 0.113 0.000 0.983 354 R CB -0.363 29.946 30.300 0.015 0.000 0.874 354 R HN 0.225 nan 8.270 nan 0.000 0.451 355 L N -0.117 121.137 121.223 0.051 0.000 2.079 355 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 355 L C 1.948 178.902 176.870 0.140 0.000 1.081 355 L CA 1.703 56.586 54.840 0.072 0.000 0.752 355 L CB -0.581 41.510 42.059 0.054 0.000 0.896 355 L HN 0.128 nan 8.230 nan 0.000 0.433 356 F N -0.534 119.436 119.950 0.032 0.000 2.220 356 F HA 0.135 4.662 4.527 -0.000 0.000 0.290 356 F C 2.316 178.133 175.800 0.029 0.000 1.080 356 F CA 0.872 58.890 58.000 0.030 0.000 1.318 356 F CB -0.603 38.400 39.000 0.005 0.000 1.063 356 F HN -0.031 nan 8.300 nan 0.000 0.498 357 A N 0.487 123.131 122.820 -0.295 0.000 1.903 357 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 357 A C 2.114 179.395 177.584 -0.505 0.000 1.191 357 A CA 2.279 54.033 52.037 -0.472 0.000 0.638 357 A CB -1.797 17.069 19.000 -0.223 0.000 0.823 357 A HN 0.630 nan 8.150 nan 0.000 0.451 358 Y N -0.120 119.955 120.300 -0.375 0.000 2.089 358 Y HA -0.129 4.421 4.550 -0.000 0.000 0.282 358 Y C -0.016 175.549 175.900 -0.557 0.000 1.139 358 Y CA 1.993 59.821 58.100 -0.453 0.000 1.123 358 Y CB -1.508 36.821 38.460 -0.219 0.000 0.980 358 Y HN 0.296 nan 8.280 nan 0.000 0.493 359 P HA -0.137 nan 4.420 nan 0.000 0.218 359 P C 0.806 178.000 177.300 -0.176 0.000 1.149 359 P CA 2.021 65.134 63.100 0.020 0.000 0.817 359 P CB 0.009 31.784 31.700 0.125 0.000 0.785 360 D N -1.473 118.702 120.400 -0.376 0.000 2.092 360 D HA -0.165 4.474 4.640 -0.000 0.000 0.193 360 D C 2.041 178.158 176.300 -0.305 0.000 0.994 360 D CA 1.643 55.395 54.000 -0.413 0.000 0.828 360 D CB -0.842 39.419 40.800 -0.898 0.000 0.963 360 D HN -0.048 nan 8.370 nan 0.000 0.450 361 T N -1.847 112.463 114.554 -0.407 0.000 2.833 361 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 361 T C 1.554 176.111 174.700 -0.238 0.000 1.054 361 T CA 1.502 63.420 62.100 -0.303 0.000 1.135 361 T CB -0.412 68.221 68.868 -0.391 0.000 0.869 361 T HN 0.346 nan 8.240 nan 0.000 0.466 362 H N -0.114 118.743 119.070 -0.355 0.000 2.389 362 H HA 0.115 4.671 4.556 -0.000 0.000 0.299 362 H C 2.612 177.611 175.328 -0.548 0.000 1.081 362 H CA 0.890 56.559 56.048 -0.632 0.000 1.345 362 H CB 0.147 29.122 29.762 -1.311 0.000 1.393 362 H HN 0.236 nan 8.280 nan 0.000 0.520 363 R N -0.506 119.869 120.500 -0.208 0.000 2.189 363 R HA -0.132 4.208 4.340 -0.000 0.000 0.223 363 R C 1.887 178.201 176.300 0.023 0.000 1.092 363 R CA 1.313 57.409 56.100 -0.006 0.000 0.989 363 R CB -0.072 30.269 30.300 0.068 0.000 0.876 363 R HN 0.473 nan 8.270 nan 0.000 0.457 364 H N 0.486 119.505 119.070 -0.084 0.000 2.300 364 H HA 0.068 4.624 4.556 -0.000 0.000 0.312 364 H C 2.151 177.453 175.328 -0.043 0.000 1.057 364 H CA 1.368 57.384 56.048 -0.053 0.000 1.380 364 H CB 0.047 29.772 29.762 -0.062 0.000 1.424 364 H HN -0.089 nan 8.280 nan 0.000 0.534 365 R N -0.191 120.176 120.500 -0.223 0.000 2.083 365 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 365 R C 1.737 177.937 176.300 -0.167 0.000 1.137 365 R CA 2.200 58.161 56.100 -0.232 0.000 0.951 365 R CB -0.131 30.138 30.300 -0.052 0.000 0.851 365 R HN 0.450 nan 8.270 nan 0.000 0.434 366 L N -1.959 119.192 121.223 -0.120 0.000 2.347 366 L HA 0.381 4.721 4.340 -0.000 0.000 0.196 366 L C 0.875 177.734 176.870 -0.018 0.000 1.072 366 L CA 0.322 55.123 54.840 -0.064 0.000 0.817 366 L CB 0.467 42.495 42.059 -0.053 0.000 1.029 366 L HN 0.460 nan 8.230 nan 0.000 0.478 367 G N -1.645 107.159 108.800 0.007 0.000 2.333 367 G HA2 0.035 3.995 3.960 -0.000 0.000 0.330 367 G HA3 0.035 3.995 3.960 -0.000 0.000 0.330 367 G C -2.692 172.276 174.900 0.113 0.000 1.465 367 G CA -0.760 44.364 45.100 0.040 0.000 0.996 367 G HN -0.258 nan 8.290 nan 0.000 0.655 368 P HA -0.098 nan 4.420 nan 0.000 0.217 368 P C 0.989 178.304 177.300 0.024 0.000 1.151 368 P CA 1.540 64.685 63.100 0.075 0.000 0.849 368 P CB 0.021 31.736 31.700 0.025 0.000 0.787 369 N N -1.880 116.768 118.700 -0.087 0.000 2.453 369 N HA 0.066 4.806 4.740 -0.000 0.000 0.270 369 N C 0.863 176.225 175.510 -0.246 0.000 1.195 369 N CA -0.373 52.456 53.050 -0.369 0.000 0.902 369 N CB -0.361 37.722 38.487 -0.673 0.000 1.186 369 N HN 0.286 nan 8.380 nan 0.000 0.510 370 Y N -0.973 119.249 120.300 -0.130 0.000 2.298 370 Y HA -0.138 4.412 4.550 -0.000 0.000 0.287 370 Y C 1.322 177.184 175.900 -0.063 0.000 1.164 370 Y CA 0.844 58.892 58.100 -0.087 0.000 1.229 370 Y CB -0.336 38.073 38.460 -0.085 0.000 0.977 370 Y HN 0.114 nan 8.280 nan 0.000 0.538 371 L N 0.244 121.072 121.223 -0.658 0.000 2.456 371 L HA -0.149 4.191 4.340 -0.000 0.000 0.224 371 L C 2.032 178.883 176.870 -0.033 0.000 1.148 371 L CA 1.015 55.609 54.840 -0.411 0.000 0.825 371 L CB -0.665 41.128 42.059 -0.443 0.000 0.937 371 L HN 0.506 nan 8.230 nan 0.000 0.450 372 H N -0.527 118.464 119.070 -0.133 0.000 2.512 372 H HA 0.113 4.669 4.556 -0.000 0.000 0.279 372 H C 0.882 176.185 175.328 -0.042 0.000 0.999 372 H CA -0.483 55.525 56.048 -0.067 0.000 1.283 372 H CB 0.391 30.128 29.762 -0.042 0.000 1.421 372 H HN 0.212 nan 8.280 nan 0.000 0.554 373 I N 2.757 123.380 120.570 0.088 0.000 2.741 373 I HA -0.096 4.074 4.170 -0.000 0.000 0.288 373 I C -1.378 174.750 176.117 0.019 0.000 1.192 373 I CA -1.324 60.002 61.300 0.043 0.000 1.426 373 I CB 0.788 38.800 38.000 0.021 0.000 1.367 373 I HN -0.029 nan 8.210 nan 0.000 0.563 374 P HA -0.273 nan 4.420 nan 0.000 0.219 374 P C 1.691 178.978 177.300 -0.021 0.000 1.161 374 P CA 1.237 64.312 63.100 -0.043 0.000 0.909 374 P CB 0.148 31.800 31.700 -0.079 0.000 0.793 375 V N -0.756 119.153 119.914 -0.008 0.000 2.913 375 V HA -0.151 3.969 4.120 -0.000 0.000 0.260 375 V C 1.424 177.604 176.094 0.144 0.000 1.098 375 V CA 1.934 64.275 62.300 0.069 0.000 1.121 375 V CB -0.964 30.895 31.823 0.060 0.000 0.714 375 V HN 0.126 nan 8.190 nan 0.000 0.487 376 N N -1.083 117.651 118.700 0.056 0.000 2.325 376 N HA 0.069 4.809 4.740 -0.000 0.000 0.182 376 N C 0.658 176.209 175.510 0.068 0.000 1.088 376 N CA 0.538 53.593 53.050 0.009 0.000 0.879 376 N CB -0.176 38.274 38.487 -0.061 0.000 0.983 376 N HN 0.495 nan 8.380 nan 0.000 0.471 377 C N 4.466 123.840 119.300 0.123 0.000 2.648 377 C HA 0.150 4.610 4.460 -0.000 0.000 0.419 377 C C -1.761 173.376 174.990 0.245 0.000 1.352 377 C CA -1.113 57.983 59.018 0.130 0.000 1.816 377 C CB 0.126 27.923 27.740 0.095 0.000 2.598 377 C HN 0.238 nan 8.230 nan 0.000 0.598 378 P HA 0.106 nan 4.420 nan 0.000 0.225 378 P C -0.042 177.290 177.300 0.053 0.000 1.813 378 P CA 0.017 63.177 63.100 0.100 0.000 1.013 378 P CB -0.678 31.036 31.700 0.022 0.000 1.961 379 Y N 0.289 120.615 120.300 0.043 0.000 2.716 379 Y HA 0.020 4.570 4.550 -0.000 0.000 0.302 379 Y C 1.336 177.218 175.900 -0.031 0.000 1.160 379 Y CA 0.343 58.422 58.100 -0.036 0.000 1.362 379 Y CB -0.638 37.755 38.460 -0.112 0.000 0.988 379 Y HN -0.031 nan 8.280 nan 0.000 0.546 380 R N 0.803 121.111 120.500 -0.321 0.000 2.507 380 R HA 0.591 4.931 4.340 -0.000 0.000 0.298 380 R C -0.363 175.879 176.300 -0.096 0.000 0.999 380 R CA 0.349 56.318 56.100 -0.217 0.000 1.082 380 R CB 0.520 30.641 30.300 -0.298 0.000 1.246 380 R HN 0.339 nan 8.270 nan 0.000 0.553 381 A N 0.857 123.640 122.820 -0.061 0.000 2.539 381 A HA 0.477 4.797 4.320 -0.000 0.000 0.296 381 A C -1.192 176.374 177.584 -0.030 0.000 1.073 381 A CA -0.824 51.188 52.037 -0.041 0.000 0.700 381 A CB 1.321 20.296 19.000 -0.041 0.000 1.296 381 A HN 0.245 nan 8.150 nan 0.000 0.405 382 R N 1.822 122.301 120.500 -0.034 0.000 2.196 382 R HA 0.493 4.833 4.340 -0.000 0.000 0.340 382 R C -1.267 175.004 176.300 -0.049 0.000 1.043 382 R CA -0.274 55.803 56.100 -0.039 0.000 0.883 382 R CB 0.387 30.662 30.300 -0.041 0.000 1.078 382 R HN 0.463 nan 8.270 nan 0.000 0.462 383 V N 4.322 124.206 119.914 -0.050 0.000 2.415 383 V HA 0.330 4.450 4.120 -0.000 0.000 0.267 383 V C 0.203 176.248 176.094 -0.082 0.000 1.042 383 V CA -0.021 62.245 62.300 -0.057 0.000 1.000 383 V CB 0.722 32.517 31.823 -0.047 0.000 1.015 383 V HN 0.865 nan 8.190 nan 0.000 0.478 384 A N 6.522 129.282 122.820 -0.101 0.000 2.411 384 A HA 0.797 5.117 4.320 -0.000 0.000 0.285 384 A C -0.175 177.284 177.584 -0.209 0.000 1.129 384 A CA -0.680 51.264 52.037 -0.155 0.000 0.736 384 A CB 0.882 19.796 19.000 -0.143 0.000 1.186 384 A HN 0.912 nan 8.150 nan 0.000 0.445 385 N N 0.011 118.539 118.700 -0.286 0.000 3.526 385 N HA 0.309 5.048 4.740 -0.000 0.000 0.328 385 N C -1.083 174.086 175.510 -0.569 0.000 1.601 385 N CA -0.592 52.251 53.050 -0.344 0.000 0.834 385 N CB 0.650 39.079 38.487 -0.097 0.000 1.983 385 N HN 0.269 nan 8.380 nan 0.000 0.579 386 Y N -0.030 120.245 120.300 -0.042 0.000 2.681 386 Y HA 0.323 4.874 4.550 0.001 0.000 0.267 386 Y C -0.009 175.907 175.900 0.027 0.000 1.166 386 Y CA -0.425 57.676 58.100 0.001 0.000 1.209 386 Y CB 0.500 38.974 38.460 0.024 0.000 1.161 386 Y HN 0.178 nan 8.280 nan 0.000 0.534 387 Q N 1.393 121.245 119.800 0.086 0.000 2.243 387 Q HA 0.549 4.889 4.340 -0.000 0.000 0.252 387 Q C -0.171 175.865 176.000 0.059 0.000 0.909 387 Q CA -0.574 55.276 55.803 0.078 0.000 0.922 387 Q CB 1.504 30.275 28.738 0.055 0.000 1.215 387 Q HN 0.138 nan 8.270 nan 0.000 0.427 388 R N 1.657 122.197 120.500 0.067 0.000 2.799 388 R HA 0.362 4.702 4.340 -0.000 0.000 0.270 388 R C -0.603 175.731 176.300 0.056 0.000 1.010 388 R CA -0.637 55.500 56.100 0.061 0.000 0.916 388 R CB 1.123 31.461 30.300 0.064 0.000 1.228 388 R HN 0.714 nan 8.270 nan 0.000 0.469 389 D N -0.096 120.339 120.400 0.057 0.000 3.301 389 D HA -0.208 4.432 4.640 -0.000 0.000 0.217 389 D C 0.439 176.760 176.300 0.034 0.000 1.548 389 D CA 2.100 56.129 54.000 0.049 0.000 1.118 389 D CB -1.069 39.756 40.800 0.042 0.000 0.684 389 D HN 0.910 nan 8.370 nan 0.000 0.821 390 G N -1.324 107.491 108.800 0.025 0.000 2.690 390 G HA2 0.136 4.096 3.960 -0.000 0.000 0.686 390 G HA3 0.136 4.096 3.960 -0.000 0.000 0.686 390 G C -2.910 171.995 174.900 0.008 0.000 1.277 390 G CA -0.410 44.695 45.100 0.009 0.000 0.799 390 G HN 0.508 nan 8.290 nan 0.000 0.613 391 P HA 0.317 nan 4.420 nan 0.000 0.265 391 P C 0.735 178.040 177.300 0.010 0.000 1.187 391 P CA 0.279 63.386 63.100 0.012 0.000 0.766 391 P CB 0.257 31.964 31.700 0.012 0.000 0.820 392 M N -0.341 119.275 119.600 0.028 0.000 2.516 392 M HA -0.180 4.300 4.480 -0.000 0.000 0.183 392 M C -0.273 176.073 176.300 0.077 0.000 0.928 392 M CA 0.164 55.492 55.300 0.046 0.000 0.573 392 M CB -2.430 30.197 32.600 0.044 0.000 1.126 392 M HN 0.410 nan 8.290 nan 0.000 0.859 393 C N 2.296 121.651 119.300 0.092 0.000 2.311 393 C HA 0.349 4.809 4.460 -0.000 0.000 0.357 393 C C 1.753 176.839 174.990 0.160 0.000 1.086 393 C CA -0.372 58.748 59.018 0.171 0.000 1.486 393 C CB -0.495 27.316 27.740 0.119 0.000 1.974 393 C HN 0.706 nan 8.230 nan 0.000 0.508 394 M N 3.025 122.766 119.600 0.235 0.000 2.556 394 M HA 0.162 4.642 4.480 -0.000 0.000 0.245 394 M C 1.113 177.386 176.300 -0.045 0.000 1.128 394 M CA 1.092 56.441 55.300 0.083 0.000 1.069 394 M CB -0.241 32.416 32.600 0.095 0.000 1.469 394 M HN 0.728 nan 8.290 nan 0.000 0.494 395 Q N -0.546 119.160 119.800 -0.157 0.000 2.427 395 Q HA 0.145 4.485 4.340 -0.000 0.000 0.232 395 Q C 0.583 176.520 176.000 -0.105 0.000 1.018 395 Q CA -0.369 55.313 55.803 -0.201 0.000 0.965 395 Q CB 0.583 29.087 28.738 -0.390 0.000 1.232 395 Q HN 0.207 nan 8.270 nan 0.000 0.510 396 D N -0.198 120.147 120.400 -0.092 0.000 2.392 396 D HA -0.168 4.472 4.640 -0.000 0.000 0.228 396 D C -0.009 176.267 176.300 -0.041 0.000 1.003 396 D CA 0.358 54.325 54.000 -0.055 0.000 0.917 396 D CB -0.308 40.461 40.800 -0.052 0.000 0.890 396 D HN 0.606 nan 8.370 nan 0.000 0.532 397 N N 0.895 119.567 118.700 -0.046 0.000 2.725 397 N HA -0.298 4.442 4.740 -0.000 0.000 0.249 397 N C -0.609 174.886 175.510 -0.024 0.000 1.103 397 N CA 1.151 54.196 53.050 -0.008 0.000 0.707 397 N CB -1.546 36.954 38.487 0.022 0.000 1.043 397 N HN 0.507 nan 8.380 nan 0.000 0.553 398 Q N -3.210 116.559 119.800 -0.052 0.000 2.480 398 Q HA -0.243 4.096 4.340 -0.000 0.000 0.265 398 Q C 1.175 177.146 176.000 -0.049 0.000 1.072 398 Q CA 1.228 56.993 55.803 -0.063 0.000 1.018 398 Q CB -1.781 26.907 28.738 -0.084 0.000 1.433 398 Q HN 0.943 nan 8.270 nan 0.000 0.513 399 G N -0.541 108.238 108.800 -0.035 0.000 2.652 399 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.318 399 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.318 399 G C 0.550 175.440 174.900 -0.017 0.000 1.295 399 G CA 0.402 45.487 45.100 -0.025 0.000 0.999 399 G HN 0.913 nan 8.290 nan 0.000 0.548 400 G N 0.496 109.287 108.800 -0.016 0.000 3.371 400 G HA2 0.639 4.599 3.960 -0.000 0.000 0.248 400 G HA3 0.639 4.599 3.960 -0.000 0.000 0.248 400 G C 0.680 175.574 174.900 -0.010 0.000 1.161 400 G CA 1.168 46.262 45.100 -0.010 0.000 0.796 400 G HN 1.750 nan 8.290 nan 0.000 0.539 401 A N 1.163 123.970 122.820 -0.021 0.000 2.540 401 A HA 0.493 4.813 4.320 -0.000 0.000 0.239 401 A C -1.920 175.663 177.584 -0.002 0.000 1.061 401 A CA -0.722 51.298 52.037 -0.027 0.000 0.758 401 A CB 0.029 18.984 19.000 -0.075 0.000 0.991 401 A HN 0.190 nan 8.150 nan 0.000 0.502 402 P HA -0.019 nan 4.420 nan 0.000 0.261 402 P C 0.217 177.597 177.300 0.133 0.000 1.173 402 P CA 0.467 63.601 63.100 0.058 0.000 0.760 402 P CB 0.207 31.908 31.700 0.001 0.000 0.783 403 N N 2.461 121.315 118.700 0.257 0.000 2.295 403 N HA 0.041 4.781 4.740 -0.000 0.000 0.221 403 N C -0.670 175.150 175.510 0.517 0.000 1.129 403 N CA -0.590 52.678 53.050 0.362 0.000 0.836 403 N CB -0.146 38.484 38.487 0.237 0.000 1.040 403 N HN 0.429 nan 8.380 nan 0.000 0.494 404 Y N -2.816 117.681 120.300 0.328 0.000 2.492 404 Y HA 0.601 5.151 4.550 -0.000 0.000 0.346 404 Y C -1.826 173.958 175.900 -0.193 0.000 0.997 404 Y CA -1.743 56.389 58.100 0.053 0.000 1.025 404 Y CB 0.901 39.392 38.460 0.052 0.000 1.263 404 Y HN -0.093 nan 8.280 nan 0.000 0.454 405 Y N 5.439 125.373 120.300 -0.609 0.000 2.376 405 Y HA 0.688 5.239 4.550 0.001 0.000 0.340 405 Y C -2.427 173.342 175.900 -0.219 0.000 0.965 405 Y CA -3.049 54.647 58.100 -0.674 0.000 1.078 405 Y CB 1.681 39.506 38.460 -1.059 0.000 1.193 405 Y HN 0.748 nan 8.280 nan 0.000 0.452 406 P HA 0.395 nan 4.420 nan 0.000 0.276 406 P C -1.788 175.412 177.300 -0.167 0.000 1.261 406 P CA -0.480 62.278 63.100 -0.571 0.000 0.800 406 P CB 1.751 33.144 31.700 -0.513 0.000 1.066 407 N N -2.699 115.933 118.700 -0.113 0.000 2.591 407 N HA 0.263 5.003 4.740 -0.000 0.000 0.263 407 N C -0.606 174.913 175.510 0.015 0.000 1.308 407 N CA -0.884 52.146 53.050 -0.034 0.000 0.837 407 N CB 0.757 39.031 38.487 -0.355 0.000 1.548 407 N HN 0.051 nan 8.380 nan 0.000 0.493 408 S N -0.300 115.401 115.700 0.003 0.000 2.572 408 S HA 0.257 4.727 4.470 -0.000 0.000 0.228 408 S C -0.414 173.894 174.600 -0.487 0.000 0.963 408 S CA -0.356 57.692 58.200 -0.253 0.000 0.939 408 S CB -0.699 62.278 63.200 -0.372 0.000 0.804 408 S HN 0.523 nan 8.310 nan 0.000 0.480 409 F N 1.159 121.123 119.950 0.022 0.000 2.647 409 F HA 0.377 4.903 4.527 -0.001 0.000 0.300 409 F C 1.628 177.441 175.800 0.021 0.000 1.106 409 F CA -0.287 57.729 58.000 0.026 0.000 1.313 409 F CB 0.186 39.209 39.000 0.038 0.000 1.007 409 F HN 0.279 nan 8.300 nan 0.000 0.536 410 G N 0.550 109.416 108.800 0.110 0.000 2.143 410 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.249 410 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.249 410 G C 0.556 175.508 174.900 0.086 0.000 0.981 410 G CA -0.064 45.087 45.100 0.086 0.000 0.665 410 G HN 0.662 nan 8.290 nan 0.000 0.528 411 A N 0.239 123.131 122.820 0.119 0.000 2.346 411 A HA 0.683 5.002 4.320 -0.000 0.000 0.255 411 A C -1.142 176.480 177.584 0.062 0.000 1.113 411 A CA -0.425 51.653 52.037 0.068 0.000 0.798 411 A CB -0.175 18.902 19.000 0.128 0.000 1.073 411 A HN 0.241 nan 8.150 nan 0.000 0.502 412 P HA 0.067 nan 4.420 nan 0.000 0.263 412 P C -0.484 176.799 177.300 -0.028 0.000 1.175 412 P CA 0.662 63.698 63.100 -0.106 0.000 0.761 412 P CB 0.327 31.856 31.700 -0.285 0.000 0.794 413 E N 2.084 122.278 120.200 -0.010 0.000 2.207 413 E HA 0.144 4.494 4.350 -0.000 0.000 0.270 413 E C 0.042 176.640 176.600 -0.005 0.000 0.927 413 E CA -0.673 55.758 56.400 0.051 0.000 0.799 413 E CB 1.340 31.114 29.700 0.123 0.000 1.172 413 E HN 0.469 nan 8.360 nan 0.000 0.404 414 Q N 0.882 120.714 119.800 0.053 0.000 2.373 414 Q HA 0.123 4.463 4.340 -0.000 0.000 0.255 414 Q C -0.348 175.685 176.000 0.055 0.000 0.980 414 Q CA -0.366 55.465 55.803 0.046 0.000 0.882 414 Q CB 0.455 29.268 28.738 0.124 0.000 1.249 414 Q HN 0.375 nan 8.270 nan 0.000 0.438 415 Q N 1.496 121.314 119.800 0.030 0.000 2.394 415 Q HA 0.322 4.662 4.340 -0.000 0.000 0.259 415 Q C -2.335 173.680 176.000 0.026 0.000 1.021 415 Q CA -2.087 53.731 55.803 0.025 0.000 0.805 415 Q CB 1.457 30.201 28.738 0.009 0.000 1.226 415 Q HN 0.392 nan 8.270 nan 0.000 0.476 416 P HA -0.322 nan 4.420 nan 0.000 0.218 416 P C 1.394 178.705 177.300 0.019 0.000 1.152 416 P CA 2.213 65.329 63.100 0.028 0.000 0.857 416 P CB 0.160 31.875 31.700 0.025 0.000 0.787 417 S N -0.622 115.086 115.700 0.014 0.000 2.420 417 S HA -0.179 4.291 4.470 -0.000 0.000 0.237 417 S C 1.913 176.518 174.600 0.008 0.000 1.023 417 S CA 1.247 59.452 58.200 0.008 0.000 0.991 417 S CB -1.266 61.936 63.200 0.003 0.000 0.792 417 S HN 0.188 nan 8.310 nan 0.000 0.488 418 A N 0.681 123.507 122.820 0.009 0.000 2.238 418 A HA 0.459 4.779 4.320 -0.000 0.000 0.208 418 A C 0.868 178.463 177.584 0.019 0.000 1.177 418 A CA -0.316 51.726 52.037 0.007 0.000 0.804 418 A CB -0.493 18.508 19.000 0.002 0.000 0.823 418 A HN 0.573 nan 8.150 nan 0.000 0.482 419 L N 1.054 122.292 121.223 0.025 0.000 2.529 419 L HA -0.004 4.336 4.340 -0.000 0.000 0.287 419 L C 0.242 177.138 176.870 0.042 0.000 1.241 419 L CA -0.183 54.676 54.840 0.032 0.000 0.857 419 L CB 0.427 42.502 42.059 0.026 0.000 1.113 419 L HN 0.420 nan 8.230 nan 0.000 0.504 420 E N 1.588 121.820 120.200 0.053 0.000 2.374 420 E HA 0.110 4.460 4.350 -0.000 0.000 0.260 420 E C -0.207 176.451 176.600 0.096 0.000 1.101 420 E CA -0.355 56.094 56.400 0.082 0.000 0.907 420 E CB 0.333 30.086 29.700 0.087 0.000 1.014 420 E HN 0.339 nan 8.360 nan 0.000 0.427 421 H N 1.220 120.313 119.070 0.037 0.000 2.819 421 H HA 0.111 4.667 4.556 0.000 0.000 0.303 421 H C -0.783 174.575 175.328 0.050 0.000 1.058 421 H CA -0.301 55.763 56.048 0.025 0.000 1.471 421 H CB 0.496 30.270 29.762 0.020 0.000 1.480 421 H HN 0.477 nan 8.280 nan 0.000 0.517 422 S N 6.299 121.763 115.700 -0.394 0.000 2.480 422 S HA 0.546 5.015 4.470 -0.000 0.000 0.286 422 S C -0.031 174.378 174.600 -0.317 0.000 1.180 422 S CA -0.888 57.176 58.200 -0.228 0.000 1.075 422 S CB 1.132 64.258 63.200 -0.123 0.000 0.996 422 S HN 0.540 nan 8.310 nan 0.000 0.487 423 I N 1.859 122.376 120.570 -0.088 0.000 2.689 423 I HA 0.396 4.566 4.170 -0.000 0.000 0.299 423 I C -0.262 175.769 176.117 -0.144 0.000 1.059 423 I CA -0.916 60.309 61.300 -0.126 0.000 1.055 423 I CB 2.095 40.020 38.000 -0.125 0.000 1.243 423 I HN 0.510 nan 8.210 nan 0.000 0.425 424 Q N 4.119 123.816 119.800 -0.173 0.000 2.303 424 Q HA 0.368 4.707 4.340 -0.000 0.000 0.257 424 Q C -1.859 174.034 176.000 -0.179 0.000 0.941 424 Q CA -0.296 55.457 55.803 -0.083 0.000 0.931 424 Q CB 1.122 29.839 28.738 -0.035 0.000 1.215 424 Q HN 0.438 nan 8.270 nan 0.000 0.437 425 Y N 0.544 120.868 120.300 0.041 0.000 2.377 425 Y HA 0.389 4.939 4.550 -0.001 0.000 0.339 425 Y C 0.327 176.242 175.900 0.024 0.000 1.011 425 Y CA -0.458 57.661 58.100 0.030 0.000 1.093 425 Y CB 2.147 40.614 38.460 0.011 0.000 1.201 425 Y HN 0.399 nan 8.280 nan 0.000 0.455 426 S N 1.224 117.021 115.700 0.162 0.000 2.532 426 S HA 0.884 5.353 4.470 -0.000 0.000 0.301 426 S C -0.201 174.450 174.600 0.086 0.000 1.083 426 S CA -0.321 57.942 58.200 0.105 0.000 1.025 426 S CB 1.740 64.981 63.200 0.069 0.000 1.056 426 S HN 1.097 nan 8.310 nan 0.000 0.494 427 G N 1.678 110.534 108.800 0.093 0.000 2.362 427 G HA2 0.071 4.031 3.960 -0.000 0.000 0.656 427 G HA3 0.071 4.031 3.960 -0.000 0.000 0.656 427 G C -1.551 173.455 174.900 0.176 0.000 1.376 427 G CA -1.065 44.106 45.100 0.119 0.000 0.971 427 G HN 0.600 nan 8.290 nan 0.000 0.636 428 E N -1.115 119.247 120.200 0.269 0.000 2.392 428 E HA 0.395 4.744 4.350 -0.000 0.000 0.259 428 E C 0.062 176.822 176.600 0.266 0.000 1.108 428 E CA -0.530 55.998 56.400 0.213 0.000 0.916 428 E CB 1.719 31.506 29.700 0.145 0.000 0.989 428 E HN 0.313 nan 8.360 nan 0.000 0.432 429 V N 3.557 123.555 119.914 0.139 0.000 2.339 429 V HA 0.243 4.363 4.120 -0.000 0.000 0.261 429 V C 0.193 176.312 176.094 0.043 0.000 1.058 429 V CA 0.205 62.574 62.300 0.115 0.000 0.897 429 V CB -0.834 31.023 31.823 0.057 0.000 1.052 429 V HN 0.642 nan 8.190 nan 0.000 0.480 430 R N 3.597 124.114 120.500 0.028 0.000 2.826 430 R HA 0.593 4.933 4.340 -0.000 0.000 0.269 430 R C -1.122 175.072 176.300 -0.175 0.000 1.031 430 R CA -1.254 54.751 56.100 -0.159 0.000 0.900 430 R CB 1.479 31.574 30.300 -0.342 0.000 1.318 430 R HN 0.297 nan 8.270 nan 0.000 0.447 431 R N 0.895 121.270 120.500 -0.209 0.000 2.220 431 R HA 0.270 4.610 4.340 -0.000 0.000 0.340 431 R C -1.016 175.162 176.300 -0.204 0.000 1.076 431 R CA -0.167 55.871 56.100 -0.103 0.000 0.920 431 R CB 0.195 30.458 30.300 -0.061 0.000 1.062 431 R HN 0.262 nan 8.270 nan 0.000 0.469 432 F N 2.043 122.000 119.950 0.010 0.000 2.411 432 F HA 0.124 4.651 4.527 -0.001 0.000 0.355 432 F C 1.024 176.837 175.800 0.022 0.000 1.117 432 F CA -0.756 57.255 58.000 0.017 0.000 1.139 432 F CB 0.700 39.713 39.000 0.022 0.000 1.120 432 F HN 0.424 nan 8.300 nan 0.000 0.493 433 N N 1.369 120.155 118.700 0.144 0.000 2.492 433 N HA 0.079 4.819 4.740 -0.000 0.000 0.262 433 N C 0.467 176.050 175.510 0.121 0.000 1.202 433 N CA 0.334 53.445 53.050 0.102 0.000 0.926 433 N CB 0.747 39.269 38.487 0.059 0.000 1.078 433 N HN 0.701 nan 8.380 nan 0.000 0.454 434 T N -0.436 114.176 114.554 0.096 0.000 3.209 434 T HA 0.362 4.712 4.350 -0.000 0.000 0.295 434 T C 1.177 175.914 174.700 0.062 0.000 0.977 434 T CA 0.064 62.216 62.100 0.087 0.000 0.922 434 T CB -0.126 68.799 68.868 0.094 0.000 1.152 434 T HN 0.380 nan 8.240 nan 0.000 0.527 435 A N 2.587 125.436 122.820 0.049 0.000 2.019 435 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 435 A C 1.837 179.431 177.584 0.017 0.000 1.164 435 A CA 1.315 53.368 52.037 0.026 0.000 0.644 435 A CB -0.759 18.250 19.000 0.014 0.000 0.805 435 A HN 0.664 nan 8.150 nan 0.000 0.449 436 N N 0.017 118.733 118.700 0.026 0.000 2.270 436 N HA 0.098 4.838 4.740 -0.000 0.000 0.198 436 N C -0.928 174.600 175.510 0.030 0.000 1.117 436 N CA -0.279 52.784 53.050 0.021 0.000 0.845 436 N CB 0.211 38.710 38.487 0.020 0.000 0.980 436 N HN 0.348 nan 8.380 nan 0.000 0.486 437 D N 1.176 121.601 120.400 0.043 0.000 2.400 437 D HA -0.074 4.566 4.640 -0.000 0.000 0.238 437 D C 0.144 176.479 176.300 0.058 0.000 1.157 437 D CA 0.245 54.281 54.000 0.060 0.000 0.889 437 D CB 0.415 41.259 40.800 0.073 0.000 1.199 437 D HN 0.057 nan 8.370 nan 0.000 0.436 438 D N 1.396 121.852 120.400 0.094 0.000 2.660 438 D HA -0.136 4.504 4.640 -0.000 0.000 0.253 438 D C 0.090 176.412 176.300 0.037 0.000 1.256 438 D CA 0.346 54.406 54.000 0.099 0.000 0.914 438 D CB 0.230 41.171 40.800 0.235 0.000 1.137 438 D HN 0.228 nan 8.370 nan 0.000 0.542 439 N N 2.778 121.479 118.700 0.001 0.000 2.280 439 N HA -0.019 4.720 4.740 -0.000 0.000 0.192 439 N C 1.248 176.722 175.510 -0.060 0.000 1.109 439 N CA 0.235 53.261 53.050 -0.041 0.000 0.855 439 N CB 0.939 39.398 38.487 -0.046 0.000 0.974 439 N HN 0.426 nan 8.380 nan 0.000 0.482 440 V N -4.635 115.258 119.914 -0.035 0.000 3.251 440 V HA 0.157 4.277 4.120 -0.000 0.000 0.239 440 V C 1.947 178.029 176.094 -0.020 0.000 1.332 440 V CA 0.279 62.565 62.300 -0.024 0.000 1.224 440 V CB -0.331 31.499 31.823 0.011 0.000 1.004 440 V HN -0.123 nan 8.190 nan 0.000 0.464 441 T N 1.320 115.887 114.554 0.022 0.000 2.564 441 T HA -0.346 4.004 4.350 -0.000 0.000 0.264 441 T C 1.928 176.620 174.700 -0.014 0.000 1.100 441 T CA 3.043 65.184 62.100 0.069 0.000 1.171 441 T CB -0.534 68.479 68.868 0.241 0.000 0.863 441 T HN 0.640 nan 8.240 nan 0.000 0.430 442 Q N 0.096 119.776 119.800 -0.201 0.000 2.167 442 Q HA -0.051 4.288 4.340 -0.000 0.000 0.202 442 Q C 2.628 178.390 176.000 -0.397 0.000 0.970 442 Q CA 1.069 56.671 55.803 -0.336 0.000 0.855 442 Q CB -0.346 28.048 28.738 -0.573 0.000 0.911 442 Q HN 0.438 nan 8.270 nan 0.000 0.438 443 V N 0.802 120.462 119.914 -0.423 0.000 2.343 443 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 443 V C 2.303 178.492 176.094 0.159 0.000 1.051 443 V CA 2.035 64.236 62.300 -0.166 0.000 1.036 443 V CB -0.648 31.152 31.823 -0.038 0.000 0.654 443 V HN 0.299 nan 8.190 nan 0.000 0.451 444 R N 0.602 121.182 120.500 0.134 0.000 2.081 444 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 444 R C 2.319 178.743 176.300 0.208 0.000 1.131 444 R CA 1.608 57.842 56.100 0.224 0.000 0.960 444 R CB -0.518 29.909 30.300 0.211 0.000 0.856 444 R HN 0.465 nan 8.270 nan 0.000 0.436 445 A N 0.555 123.468 122.820 0.154 0.000 1.908 445 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 445 A C 2.005 179.693 177.584 0.172 0.000 1.181 445 A CA 1.477 53.598 52.037 0.140 0.000 0.627 445 A CB -0.886 18.188 19.000 0.123 0.000 0.818 445 A HN 0.558 nan 8.150 nan 0.000 0.445 446 F N -0.859 119.152 119.950 0.101 0.000 2.095 446 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 446 F C 2.139 177.992 175.800 0.089 0.000 1.104 446 F CA 1.916 60.007 58.000 0.152 0.000 1.232 446 F CB -0.736 38.462 39.000 0.331 0.000 0.987 446 F HN 0.377 nan 8.300 nan 0.000 0.475 447 Y N 0.036 120.251 120.300 -0.142 0.000 2.145 447 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 447 Y C 2.201 177.892 175.900 -0.348 0.000 1.145 447 Y CA 2.288 60.160 58.100 -0.379 0.000 1.148 447 Y CB -0.377 37.886 38.460 -0.327 0.000 0.981 447 Y HN -0.057 nan 8.280 nan 0.000 0.507 448 V N 0.170 119.983 119.914 -0.169 0.000 2.379 448 V HA -0.219 3.901 4.120 -0.000 0.000 0.243 448 V C 1.326 177.309 176.094 -0.186 0.000 1.035 448 V CA 2.269 64.438 62.300 -0.219 0.000 1.035 448 V CB -0.576 31.216 31.823 -0.052 0.000 0.673 448 V HN 0.402 nan 8.190 nan 0.000 0.457 449 N N -0.389 118.248 118.700 -0.104 0.000 2.402 449 N HA -0.003 4.737 4.740 -0.000 0.000 0.174 449 N C 1.556 177.007 175.510 -0.098 0.000 1.027 449 N CA 0.588 53.595 53.050 -0.073 0.000 0.891 449 N CB 0.338 38.826 38.487 0.001 0.000 1.016 449 N HN 0.247 nan 8.380 nan 0.000 0.439 450 V N 1.258 121.085 119.914 -0.146 0.000 2.379 450 V HA 0.065 4.185 4.120 -0.000 0.000 0.243 450 V C 0.852 176.784 176.094 -0.270 0.000 1.035 450 V CA 0.878 63.084 62.300 -0.157 0.000 1.035 450 V CB -0.244 31.532 31.823 -0.078 0.000 0.673 450 V HN 0.152 nan 8.190 nan 0.000 0.457 451 L N 1.485 122.435 121.223 -0.456 0.000 2.379 451 L HA 0.386 4.726 4.340 -0.000 0.000 0.269 451 L C 0.122 176.786 176.870 -0.344 0.000 1.084 451 L CA -0.472 54.112 54.840 -0.428 0.000 0.802 451 L CB 0.746 42.449 42.059 -0.594 0.000 1.175 451 L HN 0.396 nan 8.230 nan 0.000 0.448 452 N N -0.537 118.008 118.700 -0.259 0.000 2.491 452 N HA 0.142 4.882 4.740 -0.000 0.000 0.279 452 N C 0.456 175.832 175.510 -0.223 0.000 1.236 452 N CA -0.682 52.244 53.050 -0.207 0.000 0.982 452 N CB 0.506 38.912 38.487 -0.135 0.000 1.194 452 N HN 0.388 nan 8.380 nan 0.000 0.582 453 E N -0.044 120.055 120.200 -0.168 0.000 2.058 453 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 453 E C 1.384 177.926 176.600 -0.097 0.000 0.997 453 E CA 1.743 58.060 56.400 -0.138 0.000 0.801 453 E CB -0.406 29.241 29.700 -0.090 0.000 0.746 453 E HN 0.886 nan 8.360 nan 0.000 0.450 454 E N 0.239 120.394 120.200 -0.075 0.000 2.204 454 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 454 E C 1.996 178.562 176.600 -0.057 0.000 0.989 454 E CA 0.997 57.370 56.400 -0.045 0.000 0.824 454 E CB -0.279 29.400 29.700 -0.034 0.000 0.756 454 E HN 0.267 nan 8.360 nan 0.000 0.477 455 Q N 0.528 120.269 119.800 -0.100 0.000 2.123 455 Q HA 0.001 4.341 4.340 -0.000 0.000 0.199 455 Q C 2.271 178.194 176.000 -0.128 0.000 0.966 455 Q CA 1.033 56.771 55.803 -0.108 0.000 0.845 455 Q CB 0.002 28.650 28.738 -0.149 0.000 0.907 455 Q HN 0.263 nan 8.270 nan 0.000 0.439 456 R N 0.807 121.184 120.500 -0.205 0.000 2.096 456 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 456 R C 2.240 178.490 176.300 -0.085 0.000 1.127 456 R CA 1.170 57.139 56.100 -0.218 0.000 0.968 456 R CB -0.170 29.889 30.300 -0.401 0.000 0.861 456 R HN 0.108 nan 8.270 nan 0.000 0.440 457 K N 1.124 121.500 120.400 -0.040 0.000 2.032 457 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 457 K C 2.137 178.703 176.600 -0.057 0.000 1.048 457 K CA 1.490 57.772 56.287 -0.008 0.000 0.927 457 K CB 0.046 32.598 32.500 0.086 0.000 0.712 457 K HN 0.084 nan 8.250 nan 0.000 0.441 458 R N 0.368 120.861 120.500 -0.012 0.000 2.081 458 R HA -0.148 4.191 4.340 -0.000 0.000 0.235 458 R C 2.415 178.744 176.300 0.050 0.000 1.131 458 R CA 1.291 57.406 56.100 0.026 0.000 0.960 458 R CB -0.553 29.769 30.300 0.036 0.000 0.856 458 R HN 0.201 nan 8.270 nan 0.000 0.436 459 L N 0.974 122.225 121.223 0.046 0.000 1.990 459 L HA -0.244 4.095 4.340 -0.000 0.000 0.213 459 L C 2.124 179.028 176.870 0.057 0.000 1.072 459 L CA 1.741 56.651 54.840 0.117 0.000 0.755 459 L CB -0.763 41.369 42.059 0.122 0.000 0.889 459 L HN 0.200 nan 8.230 nan 0.000 0.432 460 C N -0.122 119.136 119.300 -0.069 0.000 2.432 460 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 460 C C 2.551 177.447 174.990 -0.156 0.000 1.249 460 C CA 1.001 59.898 59.018 -0.202 0.000 1.725 460 C CB -1.053 26.377 27.740 -0.516 0.000 2.028 460 C HN 0.616 nan 8.230 nan 0.000 0.477 461 E N 1.043 121.191 120.200 -0.086 0.000 2.085 461 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 461 E C 1.810 178.491 176.600 0.135 0.000 0.994 461 E CA 1.229 57.657 56.400 0.047 0.000 0.801 461 E CB -0.235 29.516 29.700 0.085 0.000 0.743 461 E HN 0.617 nan 8.360 nan 0.000 0.453 462 N N 0.725 119.518 118.700 0.155 0.000 2.142 462 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 462 N C 1.928 177.591 175.510 0.255 0.000 1.023 462 N CA 0.887 54.120 53.050 0.304 0.000 0.852 462 N CB -0.178 38.570 38.487 0.435 0.000 0.998 462 N HN 0.185 nan 8.380 nan 0.000 0.424 463 I N 1.109 121.628 120.570 -0.085 0.000 2.113 463 I HA -0.225 3.945 4.170 -0.000 0.000 0.238 463 I C 2.324 178.306 176.117 -0.226 0.000 1.070 463 I CA 1.106 62.094 61.300 -0.520 0.000 1.332 463 I CB -0.416 37.225 38.000 -0.598 0.000 1.044 463 I HN 0.056 nan 8.210 nan 0.000 0.402 464 A N 1.012 123.736 122.820 -0.160 0.000 1.940 464 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 464 A C 2.408 180.104 177.584 0.187 0.000 1.176 464 A CA 1.965 53.943 52.037 -0.099 0.000 0.631 464 A CB -1.497 17.373 19.000 -0.216 0.000 0.814 464 A HN 0.503 nan 8.150 nan 0.000 0.446 465 G N -1.970 107.032 108.800 0.337 0.000 2.462 465 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 465 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 465 G C 1.598 176.655 174.900 0.262 0.000 1.121 465 G CA 1.300 46.601 45.100 0.335 0.000 0.758 465 G HN 0.731 nan 8.290 nan 0.000 0.559 466 H N -0.520 118.690 119.070 0.234 0.000 2.476 466 H HA 0.146 4.702 4.556 -0.000 0.000 0.292 466 H C 2.335 177.814 175.328 0.251 0.000 1.019 466 H CA 0.581 56.822 56.048 0.321 0.000 1.330 466 H CB 0.134 30.247 29.762 0.586 0.000 1.451 466 H HN 0.222 nan 8.280 nan 0.000 0.535 467 L N 2.645 123.913 121.223 0.076 0.000 2.191 467 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 467 L C 2.232 178.949 176.870 -0.254 0.000 1.103 467 L CA 1.854 56.421 54.840 -0.456 0.000 0.769 467 L CB -0.522 40.985 42.059 -0.920 0.000 0.908 467 L HN 0.221 nan 8.230 nan 0.000 0.438 468 K N -1.538 118.812 120.400 -0.085 0.000 2.360 468 K HA -0.136 4.184 4.320 -0.000 0.000 0.201 468 K C 1.226 177.808 176.600 -0.030 0.000 1.046 468 K CA 1.791 58.070 56.287 -0.013 0.000 0.940 468 K CB -0.628 31.976 32.500 0.173 0.000 0.748 468 K HN 0.361 nan 8.250 nan 0.000 0.465 469 D N 0.424 120.787 120.400 -0.062 0.000 2.339 469 D HA 0.130 4.770 4.640 -0.000 0.000 0.217 469 D C 0.113 176.389 176.300 -0.040 0.000 1.050 469 D CA 0.347 54.314 54.000 -0.055 0.000 0.856 469 D CB 0.423 41.170 40.800 -0.088 0.000 0.922 469 D HN 0.411 nan 8.370 nan 0.000 0.518 470 A N 0.632 123.421 122.820 -0.052 0.000 2.286 470 A HA 0.286 4.606 4.320 -0.000 0.000 0.286 470 A C 0.528 178.069 177.584 -0.072 0.000 1.097 470 A CA -0.435 51.581 52.037 -0.035 0.000 0.821 470 A CB 0.857 19.847 19.000 -0.017 0.000 1.076 470 A HN -0.034 nan 8.150 nan 0.000 0.490 471 Q N 0.098 119.846 119.800 -0.087 0.000 2.428 471 Q HA 0.028 4.368 4.340 -0.000 0.000 0.276 471 Q C 0.879 176.823 176.000 -0.095 0.000 1.059 471 Q CA -0.470 55.303 55.803 -0.050 0.000 0.923 471 Q CB 0.372 29.131 28.738 0.035 0.000 1.283 471 Q HN 0.655 nan 8.270 nan 0.000 0.447 472 I N 1.669 122.248 120.570 0.016 0.000 2.194 472 I HA -0.302 3.868 4.170 -0.000 0.000 0.246 472 I C 2.101 178.240 176.117 0.038 0.000 1.093 472 I CA 1.607 62.919 61.300 0.020 0.000 1.355 472 I CB -1.189 36.847 38.000 0.060 0.000 1.046 472 I HN 0.744 nan 8.210 nan 0.000 0.413 473 F N 0.990 120.941 119.950 0.002 0.000 2.216 473 F HA -0.094 4.433 4.527 -0.000 0.000 0.300 473 F C 2.270 178.078 175.800 0.014 0.000 1.085 473 F CA 1.214 59.218 58.000 0.006 0.000 1.326 473 F CB -1.048 37.958 39.000 0.011 0.000 1.027 473 F HN -0.070 nan 8.300 nan 0.000 0.497 474 I N 0.541 120.648 120.570 -0.772 0.000 2.286 474 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 474 I C 2.522 178.500 176.117 -0.232 0.000 1.104 474 I CA 1.085 62.040 61.300 -0.575 0.000 1.397 474 I CB -0.687 36.984 38.000 -0.549 0.000 1.072 474 I HN 0.235 nan 8.210 nan 0.000 0.417 475 Q N 0.774 120.448 119.800 -0.209 0.000 2.096 475 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 475 Q C 2.223 178.153 176.000 -0.116 0.000 0.982 475 Q CA 1.296 56.990 55.803 -0.182 0.000 0.850 475 Q CB -0.043 28.602 28.738 -0.155 0.000 0.901 475 Q HN 0.331 nan 8.270 nan 0.000 0.422 476 K N 1.011 121.373 120.400 -0.064 0.000 2.002 476 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 476 K C 1.965 178.550 176.600 -0.024 0.000 1.048 476 K CA 1.286 57.559 56.287 -0.024 0.000 0.930 476 K CB -0.365 32.149 32.500 0.023 0.000 0.714 476 K HN -0.000 nan 8.250 nan 0.000 0.438 477 K N 1.068 121.460 120.400 -0.012 0.000 2.063 477 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 477 K C 1.956 178.522 176.600 -0.057 0.000 1.048 477 K CA 1.480 57.760 56.287 -0.012 0.000 0.928 477 K CB -0.388 32.125 32.500 0.022 0.000 0.713 477 K HN 0.134 nan 8.250 nan 0.000 0.442 478 A N -0.008 122.776 122.820 -0.061 0.000 1.877 478 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 478 A C 2.311 179.826 177.584 -0.114 0.000 1.186 478 A CA 1.899 53.879 52.037 -0.095 0.000 0.620 478 A CB -0.797 18.155 19.000 -0.080 0.000 0.822 478 A HN 0.144 nan 8.150 nan 0.000 0.443 479 V N 0.169 120.063 119.914 -0.034 0.000 2.515 479 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 479 V C 2.507 178.588 176.094 -0.023 0.000 1.058 479 V CA 2.256 64.568 62.300 0.020 0.000 1.064 479 V CB -0.600 31.206 31.823 -0.028 0.000 0.675 479 V HN 0.672 nan 8.190 nan 0.000 0.461 480 K N 0.215 120.583 120.400 -0.054 0.000 2.097 480 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 480 K C 2.001 178.546 176.600 -0.092 0.000 1.049 480 K CA 1.671 57.925 56.287 -0.054 0.000 0.933 480 K CB -0.100 32.375 32.500 -0.042 0.000 0.717 480 K HN 0.448 nan 8.250 nan 0.000 0.442 481 N N 0.267 118.862 118.700 -0.173 0.000 2.106 481 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 481 N C 1.661 177.001 175.510 -0.284 0.000 1.029 481 N CA 1.174 54.069 53.050 -0.259 0.000 0.848 481 N CB -0.434 37.821 38.487 -0.388 0.000 1.007 481 N HN 0.113 nan 8.380 nan 0.000 0.423 482 F N 1.638 121.455 119.950 -0.222 0.000 2.171 482 F HA -0.072 4.455 4.527 -0.000 0.000 0.300 482 F C 2.504 178.149 175.800 -0.258 0.000 1.090 482 F CA 0.923 58.677 58.000 -0.409 0.000 1.293 482 F CB -1.159 37.418 39.000 -0.704 0.000 1.013 482 F HN 0.001 nan 8.300 nan 0.000 0.486 483 T N -0.659 113.900 114.554 0.009 0.000 2.833 483 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 483 T C 1.734 176.438 174.700 0.008 0.000 1.054 483 T CA 1.495 63.604 62.100 0.016 0.000 1.135 483 T CB -0.306 68.562 68.868 -0.001 0.000 0.869 483 T HN 0.344 nan 8.240 nan 0.000 0.466 484 E N 0.268 120.459 120.200 -0.016 0.000 2.208 484 E HA -0.040 4.309 4.350 -0.000 0.000 0.193 484 E C 2.204 178.813 176.600 0.015 0.000 0.988 484 E CA 0.446 56.836 56.400 -0.017 0.000 0.828 484 E CB -0.046 29.631 29.700 -0.038 0.000 0.763 484 E HN 0.273 nan 8.360 nan 0.000 0.478 485 V N -0.232 119.715 119.914 0.056 0.000 2.323 485 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 485 V C 0.475 176.693 176.094 0.208 0.000 1.041 485 V CA 1.457 63.841 62.300 0.140 0.000 1.025 485 V CB -0.196 31.775 31.823 0.247 0.000 0.656 485 V HN 0.273 nan 8.190 nan 0.000 0.451 486 H N -1.218 117.914 119.070 0.103 0.000 3.163 486 H HA 0.235 4.791 4.556 -0.000 0.000 0.322 486 H C -2.241 173.134 175.328 0.079 0.000 1.047 486 H CA -0.974 55.130 56.048 0.093 0.000 1.418 486 H CB 2.254 32.077 29.762 0.102 0.000 2.016 486 H HN -0.171 nan 8.280 nan 0.000 0.454 487 P HA -0.198 nan 4.420 nan 0.000 0.217 487 P C 0.414 177.818 177.300 0.174 0.000 1.148 487 P CA 1.379 64.505 63.100 0.044 0.000 0.834 487 P CB 0.538 32.211 31.700 -0.045 0.000 0.783 488 D N -2.020 118.615 120.400 0.391 0.000 2.323 488 D HA -0.082 4.557 4.640 -0.000 0.000 0.209 488 D C 1.936 178.424 176.300 0.314 0.000 0.973 488 D CA 0.405 54.606 54.000 0.334 0.000 0.874 488 D CB -0.654 40.369 40.800 0.371 0.000 0.930 488 D HN 0.348 nan 8.370 nan 0.000 0.521 489 Y N 1.370 121.682 120.300 0.020 0.000 2.130 489 Y HA -0.115 4.435 4.550 -0.000 0.000 0.287 489 Y C 2.452 178.280 175.900 -0.120 0.000 1.124 489 Y CA 1.102 59.021 58.100 -0.302 0.000 1.118 489 Y CB 0.017 38.067 38.460 -0.683 0.000 0.994 489 Y HN -0.032 nan 8.280 nan 0.000 0.497 490 G N -0.111 108.716 108.800 0.046 0.000 2.440 490 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.218 490 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.218 490 G C 1.770 176.676 174.900 0.011 0.000 1.154 490 G CA 1.283 46.371 45.100 -0.021 0.000 0.767 490 G HN 0.533 nan 8.290 nan 0.000 0.552 491 S N -0.155 115.582 115.700 0.062 0.000 2.368 491 S HA -0.208 4.262 4.470 -0.000 0.000 0.225 491 S C 2.148 176.796 174.600 0.080 0.000 1.030 491 S CA 1.639 59.870 58.200 0.052 0.000 0.999 491 S CB -0.700 62.533 63.200 0.054 0.000 0.844 491 S HN 0.448 nan 8.310 nan 0.000 0.459 492 H N 2.042 121.119 119.070 0.012 0.000 2.353 492 H HA 0.124 4.679 4.556 -0.000 0.000 0.300 492 H C 1.892 177.182 175.328 -0.063 0.000 1.090 492 H CA 1.739 57.788 56.048 0.002 0.000 1.327 492 H CB -0.612 29.190 29.762 0.067 0.000 1.383 492 H HN 0.486 nan 8.280 nan 0.000 0.508 493 I N 0.217 120.798 120.570 0.018 0.000 2.202 493 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 493 I C 2.624 178.654 176.117 -0.146 0.000 1.091 493 I CA 1.462 62.665 61.300 -0.162 0.000 1.368 493 I CB -0.239 37.570 38.000 -0.317 0.000 1.058 493 I HN 0.235 nan 8.210 nan 0.000 0.410 494 Q N 1.337 121.082 119.800 -0.092 0.000 2.135 494 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 494 Q C 2.102 178.048 176.000 -0.090 0.000 0.981 494 Q CA 2.229 57.978 55.803 -0.090 0.000 0.856 494 Q CB -0.308 28.399 28.738 -0.052 0.000 0.902 494 Q HN 0.502 nan 8.270 nan 0.000 0.425 495 A N -0.061 122.727 122.820 -0.053 0.000 1.877 495 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 495 A C 2.117 179.625 177.584 -0.126 0.000 1.186 495 A CA 1.471 53.474 52.037 -0.056 0.000 0.620 495 A CB -0.765 18.225 19.000 -0.017 0.000 0.822 495 A HN 0.445 nan 8.150 nan 0.000 0.443 496 L N -0.636 120.479 121.223 -0.181 0.000 2.056 496 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 496 L C 2.545 179.000 176.870 -0.692 0.000 1.078 496 L CA 0.882 55.450 54.840 -0.453 0.000 0.749 496 L CB -0.457 41.328 42.059 -0.456 0.000 0.901 496 L HN 0.367 nan 8.230 nan 0.000 0.433 497 L N -0.501 120.466 121.223 -0.426 0.000 2.042 497 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 497 L C 2.248 179.006 176.870 -0.187 0.000 1.076 497 L CA 1.110 55.769 54.840 -0.301 0.000 0.749 497 L CB -0.659 41.282 42.059 -0.197 0.000 0.893 497 L HN 0.309 nan 8.230 nan 0.000 0.432 498 D N 0.364 120.672 120.400 -0.152 0.000 2.123 498 D HA -0.220 4.420 4.640 -0.000 0.000 0.196 498 D C 2.103 178.378 176.300 -0.043 0.000 0.992 498 D CA 1.738 55.691 54.000 -0.078 0.000 0.833 498 D CB -0.071 40.692 40.800 -0.062 0.000 0.954 498 D HN 0.473 nan 8.370 nan 0.000 0.455 499 K N -0.323 120.039 120.400 -0.063 0.000 2.116 499 K HA -0.113 4.207 4.320 -0.000 0.000 0.203 499 K C 1.967 178.673 176.600 0.176 0.000 1.052 499 K CA 0.791 57.102 56.287 0.041 0.000 0.952 499 K CB -0.497 32.036 32.500 0.055 0.000 0.729 499 K HN 0.018 nan 8.250 nan 0.000 0.446 500 Y N 2.015 122.309 120.300 -0.009 0.000 2.256 500 Y HA -0.062 4.488 4.550 -0.000 0.000 0.288 500 Y C 0.743 176.635 175.900 -0.014 0.000 1.155 500 Y CA 0.045 58.138 58.100 -0.011 0.000 1.203 500 Y CB -1.226 37.222 38.460 -0.019 0.000 0.980 500 Y HN 0.212 nan 8.280 nan 0.000 0.530 501 N N 0.000 118.781 118.700 0.135 0.000 1.763 501 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 501 N CA 0.000 53.090 53.050 0.066 0.000 0.885 501 N CB 0.000 38.503 38.487 0.027 0.000 1.341 501 N HN 0.000 nan 8.380 nan 0.000 0.667