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 2qew_1_A DATA FIRST_RESID 3 DATA SEQUENCE PQLHNGLDFS AKVIQGSLDS LPQEVRKFVE GNAQLCQPEY IHICDGSEEE DATA SEQUENCE YGRLLAHMQE EGVIRKLKKY DNCWLALTDP RDVARIESKT VIITQEQRDT DATA SEQUENCE VPIPKSGQSQ LGRWMSEEDF EKAFNARFPG CMKGRTMYVI PFSMGPLGSP DATA SEQUENCE LAKIGIELTD SPYVVASMRI MTRMGTSVLE ALGDGEFIKC LHSVGCPLPL DATA SEQUENCE KKPLVNNWAC NPELTLIAHL PDRREIISFG SGYGGNSLLG KKCFALRIAS DATA SEQUENCE RLAKEEGWLA EHMLILGITN PEGKKKYLAA AFPSACGKTN LAMMNPTLPG DATA SEQUENCE WKVECVGDDI AWMKFDAQGN LRAINPENGF FGVAPGTSVK TNPNAIKTIQ DATA SEQUENCE KNTIFTNVAE TSDGGVYWEG IDEPLAPGVT ITSWKNKEWR PQDEEPCAHP DATA SEQUENCE NSRFCTPASQ CPIIDPAWES PEGVPIEGII FGGRRPAGVP LVYEALSWQH DATA SEQUENCE GVFVGAAMRS EAXXXXXXXG KVIMHDPFAM RPFFGYNFGK YLAHWLSMAH DATA SEQUENCE RPAAKLPKIF HVNWFRKDKN GKFLWPGFGE NSRVLEWMFG RIEGEDSAKL DATA SEQUENCE TPIGYVPKED ALNLKGLGDV NVEELFGISK EFWEKEVEEI DKYLEDQVNA DATA SEQUENCE DLPYEIEREL RALKQRISQM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.312 177.300 0.020 0.000 1.155 3 P CA 0.000 63.110 63.100 0.017 0.000 0.800 3 P CB 0.000 31.708 31.700 0.013 0.000 0.726 4 Q N -0.197 119.606 119.800 0.005 0.000 2.666 4 Q HA 0.398 4.969 4.340 0.386 0.000 0.276 4 Q C -1.065 174.906 176.000 -0.048 0.000 0.952 4 Q CA -1.020 54.785 55.803 0.004 0.000 0.850 4 Q CB 1.074 29.829 28.738 0.029 0.000 1.512 4 Q HN 0.229 nan 8.270 nan 0.000 0.395 5 L N 0.448 121.616 121.223 -0.093 0.000 2.529 5 L HA 0.193 4.765 4.340 0.386 0.000 0.223 5 L C 0.693 177.206 176.870 -0.595 0.000 1.113 5 L CA 0.543 55.206 54.840 -0.294 0.000 0.861 5 L CB -0.005 41.871 42.059 -0.306 0.000 1.012 5 L HN 0.636 nan 8.230 nan 0.000 0.461 6 H N -1.608 117.461 119.070 -0.001 0.000 4.337 6 H HA 0.360 5.147 4.556 0.386 0.000 0.419 6 H C 0.011 175.330 175.328 -0.016 0.000 1.241 6 H CA -0.541 55.502 56.048 -0.009 0.000 0.804 6 H CB 0.603 30.360 29.762 -0.009 0.000 0.983 6 H HN -0.100 nan 8.280 nan 0.000 0.755 7 N N -0.023 118.755 118.700 0.129 0.000 2.217 7 N HA 0.111 5.082 4.740 0.386 0.000 0.239 7 N C 0.801 176.291 175.510 -0.032 0.000 1.330 7 N CA 0.258 53.323 53.050 0.025 0.000 0.838 7 N CB 1.819 40.309 38.487 0.005 0.000 1.287 7 N HN 0.515 nan 8.380 nan 0.000 0.498 8 G N 0.035 108.834 108.800 -0.002 0.000 3.159 8 G HA2 0.198 4.389 3.960 0.386 0.000 0.232 8 G HA3 0.198 4.389 3.960 0.386 0.000 0.232 8 G C 1.254 176.165 174.900 0.017 0.000 1.116 8 G CA -0.010 45.064 45.100 -0.044 0.000 0.767 8 G HN 0.073 nan 8.290 nan 0.000 0.547 9 L N -0.474 120.786 121.223 0.063 0.000 2.388 9 L HA 0.244 4.816 4.340 0.386 0.000 0.209 9 L C 0.405 177.409 176.870 0.222 0.000 1.061 9 L CA 0.008 54.945 54.840 0.162 0.000 0.834 9 L CB 0.230 42.360 42.059 0.118 0.000 1.029 9 L HN -0.001 nan 8.230 nan 0.000 0.473 10 D N 0.048 120.512 120.400 0.105 0.000 2.339 10 D HA 0.074 4.946 4.640 0.386 0.000 0.241 10 D C 0.057 176.398 176.300 0.069 0.000 1.183 10 D CA -0.037 54.031 54.000 0.114 0.000 0.859 10 D CB 0.869 41.699 40.800 0.050 0.000 1.067 10 D HN -0.024 nan 8.370 nan 0.000 0.484 11 F N 1.845 121.805 119.950 0.016 0.000 2.645 11 F HA 0.059 4.820 4.527 0.390 0.000 0.300 11 F C 2.261 178.072 175.800 0.019 0.000 1.115 11 F CA -0.281 57.729 58.000 0.016 0.000 1.355 11 F CB 0.417 39.424 39.000 0.011 0.000 1.026 11 F HN 0.290 nan 8.300 nan 0.000 0.536 12 S N 0.525 116.302 115.700 0.128 0.000 2.370 12 S HA -0.265 4.437 4.470 0.386 0.000 0.226 12 S C 2.398 177.034 174.600 0.059 0.000 1.033 12 S CA 1.363 59.612 58.200 0.082 0.000 1.011 12 S CB -0.345 62.885 63.200 0.050 0.000 0.852 12 S HN 0.456 nan 8.310 nan 0.000 0.457 13 A N 0.916 123.755 122.820 0.031 0.000 2.121 13 A HA 0.011 4.562 4.320 0.386 0.000 0.218 13 A C 1.854 179.476 177.584 0.064 0.000 1.154 13 A CA 0.976 53.027 52.037 0.024 0.000 0.679 13 A CB -0.212 18.783 19.000 -0.008 0.000 0.795 13 A HN 0.422 nan 8.150 nan 0.000 0.458 14 K N -0.352 120.109 120.400 0.102 0.000 2.404 14 K HA 0.191 4.743 4.320 0.386 0.000 0.194 14 K C -0.433 176.294 176.600 0.211 0.000 1.023 14 K CA -0.136 56.274 56.287 0.205 0.000 1.094 14 K CB 0.509 33.145 32.500 0.227 0.000 0.841 14 K HN 0.251 nan 8.250 nan 0.000 0.523 15 V N 3.256 123.240 119.914 0.116 0.000 2.439 15 V HA 0.024 4.375 4.120 0.386 0.000 0.271 15 V C 1.150 177.232 176.094 -0.020 0.000 1.040 15 V CA 0.178 62.509 62.300 0.052 0.000 1.002 15 V CB 0.461 32.303 31.823 0.030 0.000 1.000 15 V HN 0.254 nan 8.190 nan 0.000 0.477 16 I N 1.542 122.067 120.570 -0.074 0.000 3.941 16 I HA 0.409 4.811 4.170 0.386 0.000 0.321 16 I C 0.619 176.637 176.117 -0.165 0.000 1.284 16 I CA 0.351 61.556 61.300 -0.159 0.000 1.226 16 I CB 0.306 38.126 38.000 -0.301 0.000 1.045 16 I HN 0.623 nan 8.210 nan 0.000 0.420 17 Q N 1.333 121.002 119.800 -0.219 0.000 2.295 17 Q HA 0.530 5.101 4.340 0.386 0.000 0.268 17 Q C -0.175 175.701 176.000 -0.207 0.000 1.010 17 Q CA 0.060 55.688 55.803 -0.291 0.000 0.856 17 Q CB 2.148 30.499 28.738 -0.646 0.000 1.349 17 Q HN 0.497 nan 8.270 nan 0.000 0.412 18 G N 1.721 110.442 108.800 -0.132 0.000 2.632 18 G HA2 -0.125 4.067 3.960 0.386 0.000 0.224 18 G HA3 -0.125 4.067 3.960 0.386 0.000 0.224 18 G C -0.890 173.981 174.900 -0.048 0.000 1.341 18 G CA -0.200 44.852 45.100 -0.079 0.000 0.880 18 G HN 1.134 nan 8.290 nan 0.000 0.566 19 S N -1.606 114.078 115.700 -0.027 0.000 2.543 19 S HA 0.581 5.283 4.470 0.386 0.000 0.271 19 S C 1.119 175.721 174.600 0.003 0.000 1.148 19 S CA 0.199 58.393 58.200 -0.009 0.000 0.914 19 S CB 1.359 64.554 63.200 -0.007 0.000 1.096 19 S HN 1.118 nan 8.310 nan 0.000 0.471 20 L N 2.495 123.729 121.223 0.017 0.000 2.141 20 L HA -0.021 4.550 4.340 0.386 0.000 0.209 20 L C 1.744 178.629 176.870 0.025 0.000 1.094 20 L CA 1.067 55.924 54.840 0.027 0.000 0.763 20 L CB -0.388 41.700 42.059 0.048 0.000 0.908 20 L HN 0.653 nan 8.230 nan 0.000 0.437 21 D N -0.202 120.211 120.400 0.021 0.000 2.182 21 D HA -0.160 4.712 4.640 0.386 0.000 0.201 21 D C 2.359 178.666 176.300 0.013 0.000 0.986 21 D CA 1.762 55.773 54.000 0.018 0.000 0.847 21 D CB -0.014 40.795 40.800 0.014 0.000 0.942 21 D HN 0.370 nan 8.370 nan 0.000 0.467 22 S N -0.416 115.288 115.700 0.007 0.000 2.496 22 S HA 0.021 4.723 4.470 0.386 0.000 0.224 22 S C 1.133 175.733 174.600 0.000 0.000 0.996 22 S CA -0.187 58.014 58.200 0.002 0.000 0.927 22 S CB -0.261 62.937 63.200 -0.004 0.000 0.774 22 S HN 0.106 nan 8.310 nan 0.000 0.524 23 L N 2.353 123.578 121.223 0.003 0.000 2.461 23 L HA 0.324 4.895 4.340 0.386 0.000 0.272 23 L C -2.219 174.655 176.870 0.008 0.000 1.197 23 L CA -2.002 52.837 54.840 -0.002 0.000 0.836 23 L CB -0.284 41.777 42.059 0.004 0.000 1.105 23 L HN 0.054 nan 8.230 nan 0.000 0.477 24 P HA -0.033 nan 4.420 nan 0.000 0.268 24 P C 0.078 177.409 177.300 0.051 0.000 1.208 24 P CA -0.336 62.777 63.100 0.022 0.000 0.777 24 P CB 0.454 32.162 31.700 0.014 0.000 0.875 25 Q N 1.688 121.524 119.800 0.061 0.000 2.045 25 Q HA -0.272 4.299 4.340 0.386 0.000 0.206 25 Q C 1.101 177.169 176.000 0.112 0.000 0.991 25 Q CA 1.576 57.423 55.803 0.073 0.000 0.851 25 Q CB -0.611 28.162 28.738 0.059 0.000 0.911 25 Q HN 0.334 nan 8.270 nan 0.000 0.418 26 E N 0.508 120.801 120.200 0.155 0.000 2.204 26 E HA -0.072 4.510 4.350 0.386 0.000 0.194 26 E C 2.253 179.071 176.600 0.363 0.000 0.989 26 E CA 1.067 57.610 56.400 0.238 0.000 0.824 26 E CB -0.043 29.812 29.700 0.258 0.000 0.756 26 E HN 0.345 nan 8.360 nan 0.000 0.477 27 V N 1.164 121.222 119.914 0.240 0.000 2.379 27 V HA -0.183 4.168 4.120 0.386 0.000 0.245 27 V C 2.579 178.774 176.094 0.167 0.000 1.044 27 V CA 1.629 64.001 62.300 0.121 0.000 1.036 27 V CB -0.490 31.245 31.823 -0.146 0.000 0.664 27 V HN 0.173 nan 8.190 nan 0.000 0.453 28 R N 0.470 121.036 120.500 0.110 0.000 2.083 28 R HA -0.209 4.363 4.340 0.386 0.000 0.237 28 R C 2.429 178.792 176.300 0.104 0.000 1.137 28 R CA 1.877 58.028 56.100 0.085 0.000 0.951 28 R CB -0.188 30.150 30.300 0.064 0.000 0.851 28 R HN 0.466 nan 8.270 nan 0.000 0.434 29 K N -0.444 120.040 120.400 0.140 0.000 2.063 29 K HA -0.200 4.352 4.320 0.386 0.000 0.208 29 K C 1.913 178.621 176.600 0.181 0.000 1.048 29 K CA 1.808 58.179 56.287 0.139 0.000 0.928 29 K CB -0.360 32.224 32.500 0.139 0.000 0.713 29 K HN 0.138 nan 8.250 nan 0.000 0.442 30 F N 1.278 121.289 119.950 0.102 0.000 2.084 30 F HA -0.187 4.572 4.527 0.387 0.000 0.296 30 F C 1.889 177.726 175.800 0.061 0.000 1.111 30 F CA 1.098 59.167 58.000 0.115 0.000 1.224 30 F CB -0.498 38.652 39.000 0.250 0.000 0.991 30 F HN -0.276 nan 8.300 nan 0.000 0.471 31 V N 0.665 120.506 119.914 -0.120 0.000 2.261 31 V HA -0.275 4.076 4.120 0.386 0.000 0.246 31 V C 2.441 178.389 176.094 -0.243 0.000 1.047 31 V CA 2.342 64.488 62.300 -0.257 0.000 1.015 31 V CB -0.711 31.055 31.823 -0.094 0.000 0.642 31 V HN 0.335 nan 8.190 nan 0.000 0.446 32 E N 0.105 120.225 120.200 -0.132 0.000 2.072 32 E HA -0.152 4.430 4.350 0.386 0.000 0.191 32 E C 2.313 178.802 176.600 -0.185 0.000 0.985 32 E CA 1.236 57.543 56.400 -0.154 0.000 0.801 32 E CB -0.466 29.231 29.700 -0.005 0.000 0.750 32 E HN 0.644 nan 8.360 nan 0.000 0.452 33 G N 1.590 110.337 108.800 -0.089 0.000 2.440 33 G HA2 -0.265 3.926 3.960 0.386 0.000 0.218 33 G HA3 -0.265 3.926 3.960 0.386 0.000 0.218 33 G C 1.458 176.295 174.900 -0.105 0.000 1.154 33 G CA 0.607 45.676 45.100 -0.051 0.000 0.767 33 G HN 0.158 nan 8.290 nan 0.000 0.552 34 N N 0.954 119.542 118.700 -0.187 0.000 2.354 34 N HA 0.007 4.978 4.740 0.386 0.000 0.179 34 N C 2.494 177.858 175.510 -0.244 0.000 1.021 34 N CA 0.913 53.850 53.050 -0.189 0.000 0.887 34 N CB -0.148 38.170 38.487 -0.282 0.000 0.974 34 N HN 0.320 nan 8.380 nan 0.000 0.437 35 A N 1.405 123.968 122.820 -0.429 0.000 1.898 35 A HA -0.167 4.384 4.320 0.386 0.000 0.216 35 A C 2.178 179.334 177.584 -0.714 0.000 1.181 35 A CA 1.170 52.760 52.037 -0.745 0.000 0.620 35 A CB -0.565 17.633 19.000 -1.337 0.000 0.819 35 A HN 0.269 nan 8.150 nan 0.000 0.442 36 Q N -1.075 118.429 119.800 -0.494 0.000 2.061 36 Q HA -0.197 4.375 4.340 0.386 0.000 0.204 36 Q C 2.102 178.121 176.000 0.032 0.000 0.984 36 Q CA 1.687 57.484 55.803 -0.011 0.000 0.846 36 Q CB -0.352 28.430 28.738 0.072 0.000 0.902 36 Q HN 0.609 nan 8.270 nan 0.000 0.421 37 L N -0.330 120.884 121.223 -0.015 0.000 2.005 37 L HA -0.141 4.430 4.340 0.386 0.000 0.207 37 L C 1.975 178.859 176.870 0.024 0.000 1.072 37 L CA 1.796 56.652 54.840 0.027 0.000 0.744 37 L CB -0.463 41.629 42.059 0.055 0.000 0.895 37 L HN 0.268 nan 8.230 nan 0.000 0.433 38 C N -0.517 118.784 119.300 0.002 0.000 2.563 38 C HA 0.141 4.833 4.460 0.386 0.000 0.268 38 C C 0.777 175.780 174.990 0.022 0.000 1.365 38 C CA -0.429 58.606 59.018 0.028 0.000 1.754 38 C CB -0.712 27.055 27.740 0.044 0.000 1.932 38 C HN 0.672 nan 8.230 nan 0.000 0.536 39 Q N -0.574 119.246 119.800 0.035 0.000 2.460 39 Q HA -0.148 4.423 4.340 0.386 0.000 0.311 39 Q C -2.355 173.698 176.000 0.088 0.000 1.396 39 Q CA 0.715 56.590 55.803 0.121 0.000 0.838 39 Q CB -1.731 27.066 28.738 0.097 0.000 1.140 39 Q HN 0.468 nan 8.270 nan 0.000 0.415 40 P HA -0.010 nan 4.420 nan 0.000 0.272 40 P C 0.723 178.045 177.300 0.037 0.000 1.230 40 P CA 0.046 63.162 63.100 0.027 0.000 0.788 40 P CB 0.742 32.441 31.700 -0.002 0.000 0.949 41 E N 0.623 120.768 120.200 -0.091 0.000 2.107 41 E HA -0.117 4.465 4.350 0.386 0.000 0.191 41 E C -0.284 176.098 176.600 -0.364 0.000 0.982 41 E CA 1.077 57.300 56.400 -0.296 0.000 0.809 41 E CB 0.076 29.484 29.700 -0.487 0.000 0.756 41 E HN 0.419 nan 8.360 nan 0.000 0.459 42 Y N -0.963 119.346 120.300 0.016 0.000 2.581 42 Y HA 0.482 5.263 4.550 0.385 0.000 0.345 42 Y C -0.440 175.443 175.900 -0.029 0.000 1.036 42 Y CA -1.090 57.010 58.100 0.000 0.000 1.042 42 Y CB 1.504 39.940 38.460 -0.040 0.000 1.289 42 Y HN -0.154 nan 8.280 nan 0.000 0.471 43 I N 1.491 122.170 120.570 0.182 0.000 2.418 43 I HA 0.276 4.678 4.170 0.386 0.000 0.287 43 I C -1.143 174.997 176.117 0.038 0.000 1.008 43 I CA -0.576 60.761 61.300 0.062 0.000 1.104 43 I CB 1.631 39.668 38.000 0.061 0.000 1.264 43 I HN 0.628 nan 8.210 nan 0.000 0.438 44 H N 6.847 125.847 119.070 -0.117 0.000 2.685 44 H HA 0.525 5.313 4.556 0.385 0.000 0.307 44 H C -0.902 174.442 175.328 0.027 0.000 1.017 44 H CA -0.502 55.503 56.048 -0.072 0.000 1.237 44 H CB 0.935 30.604 29.762 -0.155 0.000 1.409 44 H HN 0.481 nan 8.280 nan 0.000 0.488 45 I N 6.018 126.532 120.570 -0.093 0.000 2.308 45 I HA 0.063 4.465 4.170 0.386 0.000 0.293 45 I C 0.162 176.281 176.117 0.004 0.000 1.078 45 I CA -0.437 60.863 61.300 -0.001 0.000 1.292 45 I CB 0.242 38.224 38.000 -0.030 0.000 1.423 45 I HN 0.627 nan 8.210 nan 0.000 0.493 46 C N 5.258 124.678 119.300 0.200 0.000 2.642 46 C HA 0.002 4.694 4.460 0.386 0.000 0.420 46 C C 1.558 176.612 174.990 0.107 0.000 1.349 46 C CA -0.328 58.831 59.018 0.234 0.000 1.821 46 C CB -0.306 27.580 27.740 0.244 0.000 2.637 46 C HN 0.819 nan 8.230 nan 0.000 0.605 47 D N -0.011 120.447 120.400 0.096 0.000 2.389 47 D HA 0.164 5.036 4.640 0.386 0.000 0.206 47 D C 1.474 177.805 176.300 0.051 0.000 1.055 47 D CA 0.697 54.728 54.000 0.052 0.000 0.856 47 D CB -0.259 40.558 40.800 0.028 0.000 0.957 47 D HN 0.932 nan 8.370 nan 0.000 0.509 48 G N 0.593 109.433 108.800 0.066 0.000 2.162 48 G HA2 -0.305 3.886 3.960 0.386 0.000 0.260 48 G HA3 -0.305 3.886 3.960 0.386 0.000 0.260 48 G C 0.449 175.362 174.900 0.021 0.000 0.976 48 G CA 0.662 45.779 45.100 0.029 0.000 0.655 48 G HN 0.886 nan 8.290 nan 0.000 0.533 49 S N -0.483 115.248 115.700 0.052 0.000 2.584 49 S HA 0.489 5.190 4.470 0.386 0.000 0.270 49 S C 1.149 175.800 174.600 0.086 0.000 1.346 49 S CA 0.685 58.919 58.200 0.055 0.000 1.018 49 S CB 1.848 65.084 63.200 0.059 0.000 0.899 49 S HN 0.346 nan 8.310 nan 0.000 0.542 50 E N 0.807 121.060 120.200 0.087 0.000 2.110 50 E HA -0.175 4.407 4.350 0.386 0.000 0.193 50 E C 1.871 178.568 176.600 0.161 0.000 0.988 50 E CA 1.829 58.314 56.400 0.142 0.000 0.804 50 E CB -0.298 29.472 29.700 0.116 0.000 0.745 50 E HN 0.855 nan 8.360 nan 0.000 0.458 51 E N 0.185 120.451 120.200 0.110 0.000 2.038 51 E HA -0.284 4.298 4.350 0.386 0.000 0.195 51 E C 2.041 178.700 176.600 0.097 0.000 1.000 51 E CA 1.440 57.895 56.400 0.092 0.000 0.803 51 E CB -0.169 29.573 29.700 0.070 0.000 0.750 51 E HN 0.411 nan 8.360 nan 0.000 0.448 52 E N -0.557 119.714 120.200 0.117 0.000 2.070 52 E HA -0.271 4.311 4.350 0.386 0.000 0.197 52 E C 2.065 178.735 176.600 0.117 0.000 1.004 52 E CA 1.495 57.976 56.400 0.134 0.000 0.805 52 E CB -0.343 29.462 29.700 0.175 0.000 0.744 52 E HN 0.343 nan 8.360 nan 0.000 0.451 53 Y N 0.629 120.922 120.300 -0.011 0.000 2.114 53 Y HA -0.069 4.713 4.550 0.387 0.000 0.284 53 Y C 2.195 178.052 175.900 -0.072 0.000 1.143 53 Y CA 2.049 60.114 58.100 -0.058 0.000 1.135 53 Y CB -0.911 37.526 38.460 -0.039 0.000 0.980 53 Y HN 0.111 nan 8.280 nan 0.000 0.499 54 G N -0.193 108.573 108.800 -0.057 0.000 2.440 54 G HA2 -0.267 3.925 3.960 0.386 0.000 0.218 54 G HA3 -0.267 3.925 3.960 0.386 0.000 0.218 54 G C 1.793 176.625 174.900 -0.113 0.000 1.154 54 G CA 0.959 45.989 45.100 -0.117 0.000 0.767 54 G HN 0.374 nan 8.290 nan 0.000 0.552 55 R N -0.819 119.654 120.500 -0.045 0.000 2.090 55 R HA 0.128 4.700 4.340 0.386 0.000 0.228 55 R C 2.419 178.690 176.300 -0.048 0.000 1.110 55 R CA 0.595 56.682 56.100 -0.021 0.000 0.973 55 R CB -0.413 29.895 30.300 0.013 0.000 0.869 55 R HN 0.326 nan 8.270 nan 0.000 0.440 56 L N 0.742 121.906 121.223 -0.098 0.000 2.056 56 L HA -0.102 4.469 4.340 0.386 0.000 0.207 56 L C 1.814 178.556 176.870 -0.213 0.000 1.078 56 L CA 1.586 56.357 54.840 -0.114 0.000 0.749 56 L CB -0.230 41.729 42.059 -0.167 0.000 0.901 56 L HN 0.140 nan 8.230 nan 0.000 0.433 57 L N -0.995 119.962 121.223 -0.442 0.000 2.017 57 L HA -0.191 4.380 4.340 0.386 0.000 0.208 57 L C 2.665 179.217 176.870 -0.531 0.000 1.073 57 L CA 1.256 55.634 54.840 -0.770 0.000 0.745 57 L CB -0.921 40.303 42.059 -1.393 0.000 0.894 57 L HN 0.331 nan 8.230 nan 0.000 0.432 58 A N -1.046 121.625 122.820 -0.247 0.000 1.908 58 A HA -0.299 4.253 4.320 0.386 0.000 0.218 58 A C 2.280 179.890 177.584 0.045 0.000 1.181 58 A CA 1.888 53.924 52.037 -0.002 0.000 0.627 58 A CB -1.018 18.019 19.000 0.062 0.000 0.818 58 A HN 0.566 nan 8.150 nan 0.000 0.445 59 H N -0.877 118.152 119.070 -0.068 0.000 2.353 59 H HA -0.064 4.724 4.556 0.385 0.000 0.300 59 H C 2.055 177.370 175.328 -0.023 0.000 1.090 59 H CA 1.830 57.861 56.048 -0.030 0.000 1.327 59 H CB -0.133 29.612 29.762 -0.029 0.000 1.383 59 H HN 0.469 nan 8.280 nan 0.000 0.508 60 M N 0.399 119.881 119.600 -0.198 0.000 2.159 60 M HA -0.202 4.510 4.480 0.386 0.000 0.263 60 M C 2.626 178.873 176.300 -0.088 0.000 1.063 60 M CA 1.535 56.714 55.300 -0.202 0.000 1.110 60 M CB -0.263 32.250 32.600 -0.144 0.000 1.374 60 M HN 0.376 nan 8.290 nan 0.000 0.411 61 Q N 0.750 120.539 119.800 -0.017 0.000 2.135 61 Q HA -0.224 4.347 4.340 0.386 0.000 0.204 61 Q C 1.539 177.579 176.000 0.066 0.000 0.981 61 Q CA 1.684 57.554 55.803 0.111 0.000 0.856 61 Q CB 0.065 28.958 28.738 0.259 0.000 0.902 61 Q HN 0.562 nan 8.270 nan 0.000 0.425 62 E N 0.070 120.283 120.200 0.022 0.000 2.152 62 E HA -0.136 4.446 4.350 0.386 0.000 0.192 62 E C 1.185 177.777 176.600 -0.014 0.000 0.983 62 E CA 0.859 57.273 56.400 0.022 0.000 0.818 62 E CB 0.161 29.892 29.700 0.052 0.000 0.758 62 E HN 0.389 nan 8.360 nan 0.000 0.467 63 E N -0.412 119.734 120.200 -0.090 0.000 2.476 63 E HA 0.056 4.638 4.350 0.386 0.000 0.191 63 E C 0.612 177.199 176.600 -0.023 0.000 1.064 63 E CA 0.203 56.554 56.400 -0.082 0.000 0.866 63 E CB 0.532 30.122 29.700 -0.183 0.000 0.952 63 E HN 0.355 nan 8.360 nan 0.000 0.492 64 G N 0.923 109.730 108.800 0.011 0.000 2.153 64 G HA2 -0.301 3.890 3.960 0.386 0.000 0.252 64 G HA3 -0.301 3.890 3.960 0.386 0.000 0.252 64 G C 0.963 175.907 174.900 0.075 0.000 0.994 64 G CA 0.501 45.630 45.100 0.049 0.000 0.698 64 G HN 0.276 nan 8.290 nan 0.000 0.521 65 V N 0.321 120.272 119.914 0.061 0.000 2.649 65 V HA 0.297 4.649 4.120 0.386 0.000 0.248 65 V C 1.473 177.676 176.094 0.181 0.000 1.054 65 V CA 1.928 64.292 62.300 0.106 0.000 1.073 65 V CB -0.311 31.535 31.823 0.038 0.000 0.699 65 V HN 0.810 nan 8.190 nan 0.000 0.463 66 I N -2.516 118.158 120.570 0.172 0.000 2.969 66 I HA 0.653 5.055 4.170 0.386 0.000 0.307 66 I C -0.754 175.540 176.117 0.294 0.000 1.149 66 I CA -1.158 60.298 61.300 0.261 0.000 1.008 66 I CB 2.443 40.614 38.000 0.286 0.000 1.232 66 I HN -0.196 nan 8.210 nan 0.000 0.435 67 R N 2.184 122.887 120.500 0.339 0.000 2.670 67 R HA 0.457 5.028 4.340 0.386 0.000 0.289 67 R C -0.919 175.558 176.300 0.296 0.000 0.965 67 R CA -1.008 55.259 56.100 0.279 0.000 0.899 67 R CB 2.521 32.922 30.300 0.168 0.000 1.173 67 R HN 0.573 nan 8.270 nan 0.000 0.456 68 K N 2.699 123.148 120.400 0.082 0.000 2.322 68 K HA 0.173 4.725 4.320 0.386 0.000 0.283 68 K C -0.651 175.813 176.600 -0.227 0.000 1.042 68 K CA -0.186 55.857 56.287 -0.407 0.000 0.958 68 K CB 0.548 32.657 32.500 -0.651 0.000 0.984 68 K HN 0.425 nan 8.250 nan 0.000 0.473 69 L N 6.863 127.944 121.223 -0.237 0.000 2.302 69 L HA 0.169 4.741 4.340 0.386 0.000 0.285 69 L C 1.329 178.080 176.870 -0.199 0.000 1.090 69 L CA -0.211 54.557 54.840 -0.120 0.000 0.866 69 L CB 0.682 42.777 42.059 0.060 0.000 1.244 69 L HN 0.724 nan 8.230 nan 0.000 0.435 70 K N 1.884 122.157 120.400 -0.211 0.000 2.362 70 K HA -0.152 4.399 4.320 0.386 0.000 0.200 70 K C 1.595 178.048 176.600 -0.246 0.000 1.046 70 K CA 0.871 57.035 56.287 -0.204 0.000 0.952 70 K CB 0.095 32.503 32.500 -0.154 0.000 0.753 70 K HN 0.409 nan 8.250 nan 0.000 0.466 71 K N 0.051 120.201 120.400 -0.416 0.000 2.217 71 K HA -0.037 4.515 4.320 0.386 0.000 0.202 71 K C -0.272 176.020 176.600 -0.513 0.000 1.051 71 K CA 0.754 56.694 56.287 -0.578 0.000 0.952 71 K CB 0.142 32.082 32.500 -0.934 0.000 0.736 71 K HN 0.097 nan 8.250 nan 0.000 0.453 72 Y N -0.193 120.074 120.300 -0.055 0.000 2.631 72 Y HA 0.222 5.004 4.550 0.387 0.000 0.328 72 Y C -0.318 175.561 175.900 -0.035 0.000 1.118 72 Y CA -2.272 55.813 58.100 -0.024 0.000 1.206 72 Y CB 0.435 38.909 38.460 0.023 0.000 1.337 72 Y HN -0.142 nan 8.280 nan 0.000 0.515 73 D N 1.395 121.907 120.400 0.186 0.000 2.365 73 D HA 0.070 4.942 4.640 0.386 0.000 0.237 73 D C -0.108 176.253 176.300 0.102 0.000 1.190 73 D CA 0.100 54.161 54.000 0.102 0.000 0.867 73 D CB -0.358 40.501 40.800 0.098 0.000 1.050 73 D HN 0.615 nan 8.370 nan 0.000 0.491 74 N N 2.690 121.410 118.700 0.034 0.000 2.714 74 N HA -0.211 4.761 4.740 0.386 0.000 0.253 74 N C -1.621 173.936 175.510 0.079 0.000 1.024 74 N CA 0.492 53.581 53.050 0.064 0.000 0.726 74 N CB -1.465 37.157 38.487 0.226 0.000 0.908 74 N HN 0.306 nan 8.380 nan 0.000 0.542 75 C N 0.231 119.456 119.300 -0.125 0.000 2.493 75 C HA 0.812 5.504 4.460 0.386 0.000 0.326 75 C C -0.152 174.707 174.990 -0.219 0.000 1.200 75 C CA -0.561 58.512 59.018 0.091 0.000 1.739 75 C CB 0.493 28.457 27.740 0.373 0.000 2.300 75 C HN 0.541 nan 8.230 nan 0.000 0.500 76 W N 1.619 123.116 121.300 0.329 0.000 3.031 76 W HA 0.714 5.606 4.660 0.387 0.000 0.337 76 W C -0.903 175.836 176.519 0.367 0.000 1.187 76 W CA -0.713 56.795 57.345 0.271 0.000 1.166 76 W CB 1.028 30.593 29.460 0.176 0.000 1.437 76 W HN 0.329 nan 8.180 nan 0.000 0.551 77 L N 2.522 124.061 121.223 0.527 0.000 2.409 77 L HA 0.901 5.473 4.340 0.386 0.000 0.272 77 L C -0.807 176.291 176.870 0.380 0.000 0.980 77 L CA -0.845 54.256 54.840 0.436 0.000 0.826 77 L CB 1.231 43.475 42.059 0.307 0.000 1.268 77 L HN 0.523 nan 8.230 nan 0.000 0.407 78 A N 5.980 129.023 122.820 0.371 0.000 2.330 78 A HA 0.827 5.378 4.320 0.386 0.000 0.327 78 A C -1.322 176.359 177.584 0.161 0.000 1.155 78 A CA -0.539 51.673 52.037 0.292 0.000 0.803 78 A CB 0.853 20.075 19.000 0.370 0.000 1.208 78 A HN 0.710 nan 8.150 nan 0.000 0.477 79 L N 2.581 123.868 121.223 0.106 0.000 2.333 79 L HA 0.511 5.083 4.340 0.386 0.000 0.280 79 L C 0.700 177.498 176.870 -0.120 0.000 1.004 79 L CA -0.619 54.251 54.840 0.050 0.000 0.820 79 L CB 2.104 44.219 42.059 0.095 0.000 1.247 79 L HN 0.933 nan 8.230 nan 0.000 0.416 80 T N -2.240 112.120 114.554 -0.323 0.000 2.881 80 T HA 0.209 4.790 4.350 0.386 0.000 0.278 80 T C -0.069 174.447 174.700 -0.307 0.000 0.982 80 T CA -0.832 60.782 62.100 -0.812 0.000 0.989 80 T CB 1.680 69.719 68.868 -1.381 0.000 1.058 80 T HN 0.466 nan 8.240 nan 0.000 0.529 81 D N 1.943 122.200 120.400 -0.237 0.000 2.450 81 D HA 0.096 4.968 4.640 0.386 0.000 0.247 81 D C -1.124 175.158 176.300 -0.030 0.000 1.162 81 D CA -1.889 52.111 54.000 0.001 0.000 0.879 81 D CB 1.279 42.199 40.800 0.199 0.000 1.163 81 D HN 0.289 nan 8.370 nan 0.000 0.472 82 P HA -0.097 nan 4.420 nan 0.000 0.228 82 P C 0.919 178.255 177.300 0.059 0.000 1.151 82 P CA 0.724 63.896 63.100 0.120 0.000 0.770 82 P CB 0.258 32.019 31.700 0.102 0.000 0.786 83 R N -0.412 120.113 120.500 0.042 0.000 2.235 83 R HA -0.010 4.561 4.340 0.386 0.000 0.213 83 R C 0.437 176.749 176.300 0.021 0.000 1.059 83 R CA 0.669 56.794 56.100 0.041 0.000 0.997 83 R CB -0.237 30.099 30.300 0.060 0.000 0.884 83 R HN 0.113 nan 8.270 nan 0.000 0.462 84 D N 0.134 120.534 120.400 -0.001 0.000 2.434 84 D HA 0.088 4.960 4.640 0.386 0.000 0.275 84 D C 0.318 176.474 176.300 -0.240 0.000 1.172 84 D CA -0.316 53.693 54.000 0.015 0.000 0.916 84 D CB 1.218 42.193 40.800 0.291 0.000 1.041 84 D HN -0.041 nan 8.370 nan 0.000 0.501 85 V N 0.297 119.908 119.914 -0.505 0.000 3.382 85 V HA 0.834 5.186 4.120 0.386 0.000 0.296 85 V C 0.430 175.688 176.094 -1.394 0.000 1.529 85 V CA 0.330 61.975 62.300 -1.091 0.000 1.048 85 V CB -0.128 31.052 31.823 -1.072 0.000 0.878 85 V HN 0.423 nan 8.190 nan 0.000 0.442 86 A N 0.088 122.446 122.820 -0.770 0.000 2.601 86 A HA 0.722 5.273 4.320 0.386 0.000 0.291 86 A C -0.576 176.993 177.584 -0.024 0.000 1.075 86 A CA -1.024 50.813 52.037 -0.333 0.000 0.671 86 A CB 0.987 19.896 19.000 -0.152 0.000 1.277 86 A HN 0.238 nan 8.150 nan 0.000 0.417 87 R N -0.099 120.473 120.500 0.119 0.000 2.585 87 R HA 0.248 4.820 4.340 0.386 0.000 0.275 87 R C -0.848 175.506 176.300 0.089 0.000 1.018 87 R CA 0.670 56.860 56.100 0.151 0.000 1.072 87 R CB 0.058 30.469 30.300 0.185 0.000 0.953 87 R HN 0.509 nan 8.270 nan 0.000 0.419 88 I N 2.768 123.399 120.570 0.101 0.000 2.405 88 I HA 0.053 4.455 4.170 0.386 0.000 0.280 88 I C 1.193 177.358 176.117 0.080 0.000 1.027 88 I CA -0.174 61.172 61.300 0.077 0.000 1.161 88 I CB 1.499 39.546 38.000 0.079 0.000 1.300 88 I HN 0.696 nan 8.210 nan 0.000 0.463 89 E N 2.489 122.717 120.200 0.047 0.000 2.097 89 E HA -0.222 4.359 4.350 0.386 0.000 0.196 89 E C 2.012 178.643 176.600 0.052 0.000 1.000 89 E CA 1.912 58.330 56.400 0.031 0.000 0.804 89 E CB 0.223 29.915 29.700 -0.013 0.000 0.740 89 E HN 0.775 nan 8.360 nan 0.000 0.454 90 S N 0.141 115.872 115.700 0.053 0.000 2.507 90 S HA -0.068 4.634 4.470 0.386 0.000 0.235 90 S C 1.355 176.003 174.600 0.079 0.000 0.988 90 S CA 0.745 58.981 58.200 0.060 0.000 0.944 90 S CB 0.019 63.249 63.200 0.051 0.000 0.762 90 S HN 0.115 nan 8.310 nan 0.000 0.526 91 K N 0.832 121.290 120.400 0.097 0.000 2.438 91 K HA 0.208 4.760 4.320 0.386 0.000 0.205 91 K C -0.654 176.038 176.600 0.154 0.000 1.033 91 K CA -0.031 56.329 56.287 0.122 0.000 1.089 91 K CB 1.001 33.577 32.500 0.127 0.000 0.857 91 K HN 0.184 nan 8.250 nan 0.000 0.522 92 T N 2.034 116.677 114.554 0.148 0.000 2.756 92 T HA 0.343 4.924 4.350 0.386 0.000 0.290 92 T C -0.373 174.435 174.700 0.180 0.000 0.985 92 T CA -0.655 61.563 62.100 0.197 0.000 0.955 92 T CB 1.281 70.264 68.868 0.190 0.000 0.930 92 T HN 0.010 nan 8.240 nan 0.000 0.451 93 V N 1.531 121.577 119.914 0.220 0.000 3.040 93 V HA 0.767 5.119 4.120 0.386 0.000 0.312 93 V C -0.858 175.352 176.094 0.194 0.000 1.115 93 V CA -1.229 61.165 62.300 0.157 0.000 0.998 93 V CB 1.944 33.820 31.823 0.087 0.000 1.042 93 V HN 0.793 nan 8.190 nan 0.000 0.433 94 I N 2.861 123.500 120.570 0.115 0.000 2.465 94 I HA 0.523 4.925 4.170 0.386 0.000 0.291 94 I C -1.152 174.981 176.117 0.027 0.000 1.014 94 I CA -0.612 60.749 61.300 0.102 0.000 1.093 94 I CB 2.090 40.161 38.000 0.117 0.000 1.267 94 I HN 0.515 nan 8.210 nan 0.000 0.431 95 I N 5.463 126.003 120.570 -0.050 0.000 2.339 95 I HA 0.410 4.812 4.170 0.386 0.000 0.290 95 I C 0.235 176.382 176.117 0.050 0.000 0.994 95 I CA 0.156 61.386 61.300 -0.116 0.000 1.191 95 I CB 1.705 39.552 38.000 -0.255 0.000 1.343 95 I HN 0.613 nan 8.210 nan 0.000 0.458 96 T N 0.831 115.527 114.554 0.236 0.000 2.864 96 T HA 0.289 4.871 4.350 0.386 0.000 0.299 96 T C 0.409 175.333 174.700 0.374 0.000 1.166 96 T CA -0.752 61.509 62.100 0.268 0.000 1.007 96 T CB 1.606 70.626 68.868 0.253 0.000 1.219 96 T HN 0.575 nan 8.240 nan 0.000 0.506 97 Q N 0.073 120.000 119.800 0.212 0.000 2.061 97 Q HA -0.094 4.478 4.340 0.386 0.000 0.204 97 Q C -0.055 176.081 176.000 0.226 0.000 0.984 97 Q CA 1.372 57.290 55.803 0.192 0.000 0.846 97 Q CB 0.161 28.955 28.738 0.093 0.000 0.902 97 Q HN 0.625 nan 8.270 nan 0.000 0.421 98 E N 0.209 120.474 120.200 0.108 0.000 2.171 98 E HA 0.027 4.609 4.350 0.386 0.000 0.271 98 E C -0.163 176.206 176.600 -0.384 0.000 0.916 98 E CA -0.212 56.130 56.400 -0.096 0.000 0.774 98 E CB 1.688 31.330 29.700 -0.098 0.000 1.128 98 E HN 0.317 nan 8.360 nan 0.000 0.403 99 Q N 3.217 122.392 119.800 -1.042 0.000 2.096 99 Q HA -0.205 4.367 4.340 0.386 0.000 0.204 99 Q C 1.885 177.501 176.000 -0.640 0.000 0.982 99 Q CA 1.519 56.349 55.803 -1.621 0.000 0.850 99 Q CB 0.142 27.855 28.738 -1.707 0.000 0.901 99 Q HN 0.401 nan 8.270 nan 0.000 0.422 100 R N 0.083 120.341 120.500 -0.404 0.000 2.159 100 R HA -0.166 4.406 4.340 0.386 0.000 0.237 100 R C 0.998 177.224 176.300 -0.123 0.000 1.131 100 R CA 1.680 57.652 56.100 -0.214 0.000 0.982 100 R CB -0.028 30.176 30.300 -0.160 0.000 0.868 100 R HN 0.380 nan 8.270 nan 0.000 0.453 101 D N -0.935 119.403 120.400 -0.104 0.000 2.269 101 D HA -0.074 4.798 4.640 0.386 0.000 0.208 101 D C 1.340 177.674 176.300 0.058 0.000 0.963 101 D CA 1.211 55.206 54.000 -0.007 0.000 0.864 101 D CB 0.121 40.924 40.800 0.005 0.000 0.936 101 D HN 0.237 nan 8.370 nan 0.000 0.505 102 T N -0.287 114.281 114.554 0.023 0.000 2.953 102 T HA 0.096 4.678 4.350 0.386 0.000 0.247 102 T C 0.910 175.639 174.700 0.049 0.000 1.029 102 T CA 0.366 62.529 62.100 0.105 0.000 1.144 102 T CB 0.631 69.644 68.868 0.243 0.000 0.870 102 T HN 0.019 nan 8.240 nan 0.000 0.446 103 V N -0.735 119.167 119.914 -0.021 0.000 3.007 103 V HA 0.671 5.023 4.120 0.386 0.000 0.311 103 V C -3.282 172.763 176.094 -0.083 0.000 1.120 103 V CA -3.308 58.966 62.300 -0.043 0.000 0.980 103 V CB 1.897 33.711 31.823 -0.014 0.000 1.033 103 V HN -0.129 nan 8.190 nan 0.000 0.429 104 P HA 0.325 nan 4.420 nan 0.000 0.272 104 P C -0.554 176.689 177.300 -0.095 0.000 1.223 104 P CA -0.240 62.805 63.100 -0.091 0.000 0.784 104 P CB 0.328 31.974 31.700 -0.090 0.000 0.923 105 I N 3.701 124.211 120.570 -0.099 0.000 2.421 105 I HA 0.168 4.569 4.170 0.386 0.000 0.291 105 I C -2.053 174.016 176.117 -0.080 0.000 1.089 105 I CA -2.738 58.506 61.300 -0.093 0.000 1.354 105 I CB -0.393 37.548 38.000 -0.097 0.000 1.413 105 I HN 0.145 nan 8.210 nan 0.000 0.513 106 P HA 0.161 nan 4.420 nan 0.000 0.272 106 P C 0.771 178.032 177.300 -0.066 0.000 1.223 106 P CA -0.433 62.618 63.100 -0.081 0.000 0.784 106 P CB 1.216 32.870 31.700 -0.077 0.000 0.923 107 K N 1.121 121.480 120.400 -0.068 0.000 2.057 107 K HA -0.103 4.449 4.320 0.386 0.000 0.206 107 K C 1.276 177.851 176.600 -0.041 0.000 1.050 107 K CA 2.114 58.370 56.287 -0.052 0.000 0.935 107 K CB 0.016 32.486 32.500 -0.051 0.000 0.715 107 K HN 0.578 nan 8.250 nan 0.000 0.439 108 S N -2.061 113.614 115.700 -0.042 0.000 2.882 108 S HA 0.253 4.954 4.470 0.386 0.000 0.258 108 S C 0.800 175.385 174.600 -0.025 0.000 1.081 108 S CA -0.197 57.986 58.200 -0.029 0.000 0.886 108 S CB 0.733 63.918 63.200 -0.025 0.000 0.855 108 S HN 0.262 nan 8.310 nan 0.000 0.467 109 G N 1.045 109.825 108.800 -0.032 0.000 2.753 109 G HA2 0.573 4.764 3.960 0.386 0.000 0.285 109 G HA3 0.573 4.764 3.960 0.386 0.000 0.285 109 G C -1.108 173.779 174.900 -0.020 0.000 1.344 109 G CA -0.727 44.360 45.100 -0.022 0.000 1.050 109 G HN 0.332 nan 8.290 nan 0.000 0.532 110 Q N -0.179 119.617 119.800 -0.008 0.000 2.293 110 Q HA 0.439 5.010 4.340 0.386 0.000 0.251 110 Q C 0.421 176.415 176.000 -0.010 0.000 0.930 110 Q CA -0.176 55.627 55.803 0.001 0.000 0.893 110 Q CB 1.116 29.863 28.738 0.015 0.000 1.215 110 Q HN 0.468 nan 8.270 nan 0.000 0.425 111 S N 2.190 117.885 115.700 -0.007 0.000 2.533 111 S HA 0.017 4.719 4.470 0.386 0.000 0.282 111 S C 0.212 174.812 174.600 -0.000 0.000 1.304 111 S CA 0.014 58.202 58.200 -0.019 0.000 1.063 111 S CB 0.291 63.483 63.200 -0.013 0.000 0.881 111 S HN 0.747 nan 8.310 nan 0.000 0.493 112 Q N 4.341 124.137 119.800 -0.006 0.000 2.172 112 Q HA 0.292 4.864 4.340 0.386 0.000 0.217 112 Q C 0.299 176.306 176.000 0.013 0.000 0.832 112 Q CA -0.027 55.786 55.803 0.016 0.000 1.010 112 Q CB -0.062 28.703 28.738 0.044 0.000 1.133 112 Q HN 0.712 nan 8.270 nan 0.000 0.489 113 L N 0.564 121.785 121.223 -0.003 0.000 2.700 113 L HA 0.509 5.081 4.340 0.386 0.000 0.234 113 L C 0.565 177.470 176.870 0.059 0.000 1.156 113 L CA 0.154 54.999 54.840 0.010 0.000 0.946 113 L CB 0.604 42.598 42.059 -0.107 0.000 1.216 113 L HN 0.431 nan 8.230 nan 0.000 0.493 114 G N -0.076 108.749 108.800 0.042 0.000 2.356 114 G HA2 0.169 4.361 3.960 0.386 0.000 0.300 114 G HA3 0.169 4.361 3.960 0.386 0.000 0.300 114 G C -1.633 173.314 174.900 0.079 0.000 1.331 114 G CA -0.939 44.196 45.100 0.059 0.000 0.905 114 G HN -0.093 nan 8.290 nan 0.000 0.587 115 R N -0.432 120.132 120.500 0.107 0.000 2.473 115 R HA 0.299 4.871 4.340 0.386 0.000 0.303 115 R C -1.441 174.977 176.300 0.197 0.000 1.002 115 R CA -0.590 55.592 56.100 0.137 0.000 0.884 115 R CB 1.949 32.310 30.300 0.101 0.000 1.173 115 R HN 0.603 nan 8.270 nan 0.000 0.464 116 W N 5.612 126.935 121.300 0.038 0.000 2.316 116 W HA 0.438 5.326 4.660 0.380 0.000 0.321 116 W C -0.630 175.923 176.519 0.055 0.000 1.203 116 W CA -0.551 56.819 57.345 0.041 0.000 1.214 116 W CB 0.910 30.387 29.460 0.029 0.000 1.169 116 W HN 0.402 nan 8.180 nan 0.000 0.561 117 M N 6.213 125.380 119.600 -0.721 0.000 2.327 117 M HA 0.303 5.014 4.480 0.386 0.000 0.298 117 M C -0.068 175.469 176.300 -1.271 0.000 1.065 117 M CA -0.594 54.224 55.300 -0.803 0.000 0.916 117 M CB 1.605 34.040 32.600 -0.274 0.000 1.630 117 M HN 0.572 nan 8.290 nan 0.000 0.442 118 S N 2.723 117.678 115.700 -1.242 0.000 2.573 118 S HA 0.099 4.801 4.470 0.386 0.000 0.277 118 S C 0.579 175.020 174.600 -0.266 0.000 1.346 118 S CA -0.084 57.671 58.200 -0.741 0.000 1.034 118 S CB 0.754 63.735 63.200 -0.365 0.000 0.879 118 S HN 0.876 nan 8.310 nan 0.000 0.528 119 E N 1.434 121.581 120.200 -0.088 0.000 2.118 119 E HA -0.207 4.375 4.350 0.386 0.000 0.195 119 E C 1.770 178.395 176.600 0.043 0.000 0.992 119 E CA 1.837 58.245 56.400 0.014 0.000 0.804 119 E CB -0.153 29.569 29.700 0.036 0.000 0.741 119 E HN 0.797 nan 8.360 nan 0.000 0.458 120 E N 0.753 120.959 120.200 0.009 0.000 2.072 120 E HA -0.146 4.435 4.350 0.386 0.000 0.190 120 E C 1.640 178.238 176.600 -0.003 0.000 0.982 120 E CA 1.022 57.427 56.400 0.008 0.000 0.803 120 E CB -0.074 29.632 29.700 0.011 0.000 0.755 120 E HN 0.169 nan 8.360 nan 0.000 0.453 121 D N -0.353 120.032 120.400 -0.025 0.000 2.144 121 D HA -0.122 4.750 4.640 0.386 0.000 0.200 121 D C 1.589 177.901 176.300 0.020 0.000 0.978 121 D CA 0.609 54.595 54.000 -0.023 0.000 0.833 121 D CB -0.198 40.563 40.800 -0.066 0.000 0.961 121 D HN 0.124 nan 8.370 nan 0.000 0.470 122 F N 2.015 121.917 119.950 -0.080 0.000 2.146 122 F HA -0.105 4.660 4.527 0.397 0.000 0.298 122 F C 2.129 177.947 175.800 0.029 0.000 1.096 122 F CA 1.070 59.052 58.000 -0.029 0.000 1.275 122 F CB 0.111 39.076 39.000 -0.058 0.000 1.008 122 F HN -0.216 nan 8.300 nan 0.000 0.480 123 E N 0.840 120.975 120.200 -0.109 0.000 2.085 123 E HA -0.233 4.349 4.350 0.386 0.000 0.194 123 E C 2.164 178.695 176.600 -0.114 0.000 0.994 123 E CA 1.469 57.780 56.400 -0.149 0.000 0.801 123 E CB -0.365 29.309 29.700 -0.044 0.000 0.743 123 E HN 0.500 nan 8.360 nan 0.000 0.453 124 K N 0.459 120.808 120.400 -0.085 0.000 2.057 124 K HA -0.088 4.464 4.320 0.386 0.000 0.207 124 K C 2.197 178.732 176.600 -0.108 0.000 1.049 124 K CA 1.219 57.464 56.287 -0.070 0.000 0.931 124 K CB -0.157 32.316 32.500 -0.045 0.000 0.714 124 K HN 0.046 nan 8.250 nan 0.000 0.440 125 A N 1.074 123.806 122.820 -0.146 0.000 1.902 125 A HA -0.178 4.374 4.320 0.386 0.000 0.217 125 A C 2.014 179.457 177.584 -0.234 0.000 1.181 125 A CA 1.182 53.121 52.037 -0.164 0.000 0.623 125 A CB -0.725 18.219 19.000 -0.094 0.000 0.818 125 A HN 0.342 nan 8.150 nan 0.000 0.443 126 F N 1.646 121.268 119.950 -0.546 0.000 2.069 126 F HA -0.241 4.515 4.527 0.382 0.000 0.298 126 F C 1.990 177.676 175.800 -0.190 0.000 1.113 126 F CA 2.228 59.971 58.000 -0.430 0.000 1.214 126 F CB -0.271 38.297 39.000 -0.720 0.000 0.978 126 F HN 0.221 nan 8.300 nan 0.000 0.474 127 N N 0.603 119.270 118.700 -0.054 0.000 2.289 127 N HA -0.122 4.849 4.740 0.386 0.000 0.184 127 N C 1.647 177.051 175.510 -0.176 0.000 1.016 127 N CA 1.269 54.267 53.050 -0.087 0.000 0.872 127 N CB -0.690 37.791 38.487 -0.009 0.000 0.973 127 N HN 0.416 nan 8.380 nan 0.000 0.433 128 A N -0.136 122.560 122.820 -0.207 0.000 2.238 128 A HA 0.150 4.702 4.320 0.386 0.000 0.208 128 A C 1.976 179.346 177.584 -0.358 0.000 1.177 128 A CA 0.372 52.277 52.037 -0.219 0.000 0.804 128 A CB 0.128 19.029 19.000 -0.165 0.000 0.823 128 A HN 0.162 nan 8.150 nan 0.000 0.482 129 R N -2.787 117.377 120.500 -0.560 0.000 2.342 129 R HA 0.304 4.876 4.340 0.386 0.000 0.179 129 R C 1.259 176.983 176.300 -0.960 0.000 0.989 129 R CA 0.455 55.892 56.100 -1.105 0.000 1.125 129 R CB -0.148 29.059 30.300 -1.821 0.000 1.211 129 R HN 0.398 nan 8.270 nan 0.000 0.568 130 F N 1.808 121.305 119.950 -0.755 0.000 2.234 130 F HA 0.122 4.878 4.527 0.382 0.000 0.296 130 F C -1.363 174.261 175.800 -0.293 0.000 1.089 130 F CA -0.239 57.452 58.000 -0.516 0.000 1.343 130 F CB -0.853 37.634 39.000 -0.855 0.000 1.040 130 F HN -0.189 nan 8.300 nan 0.000 0.498 131 P HA 0.079 nan 4.420 nan 0.000 0.260 131 P C 0.686 177.963 177.300 -0.038 0.000 1.185 131 P CA 1.546 64.612 63.100 -0.058 0.000 0.763 131 P CB 0.136 31.799 31.700 -0.062 0.000 0.776 132 G N 2.994 111.792 108.800 -0.004 0.000 2.168 132 G HA2 -0.397 3.795 3.960 0.386 0.000 0.263 132 G HA3 -0.397 3.795 3.960 0.386 0.000 0.263 132 G C 1.166 176.064 174.900 -0.004 0.000 0.977 132 G CA 0.321 45.421 45.100 -0.000 0.000 0.659 132 G HN 0.688 nan 8.290 nan 0.000 0.533 133 C N -1.137 118.164 119.300 0.002 0.000 2.432 133 C HA 0.445 5.137 4.460 0.386 0.000 0.282 133 C C 2.357 177.333 174.990 -0.024 0.000 1.388 133 C CA 1.403 60.421 59.018 0.001 0.000 1.777 133 C CB -0.671 27.097 27.740 0.046 0.000 1.882 133 C HN 0.482 nan 8.230 nan 0.000 0.520 134 M N 0.626 120.222 119.600 -0.007 0.000 2.419 134 M HA 0.176 4.887 4.480 0.386 0.000 0.252 134 M C 0.603 176.892 176.300 -0.018 0.000 1.143 134 M CA -0.052 55.237 55.300 -0.017 0.000 0.985 134 M CB -0.185 32.413 32.600 -0.004 0.000 1.489 134 M HN 0.261 nan 8.290 nan 0.000 0.484 135 K N 1.081 121.471 120.400 -0.017 0.000 2.491 135 K HA 0.090 4.642 4.320 0.386 0.000 0.279 135 K C 1.148 177.726 176.600 -0.037 0.000 1.026 135 K CA 1.341 57.615 56.287 -0.022 0.000 1.070 135 K CB 0.148 32.637 32.500 -0.019 0.000 0.887 135 K HN 0.449 nan 8.250 nan 0.000 0.481 136 G N 3.323 112.090 108.800 -0.056 0.000 2.184 136 G HA2 -0.301 3.891 3.960 0.386 0.000 0.264 136 G HA3 -0.301 3.891 3.960 0.386 0.000 0.264 136 G C -0.092 174.775 174.900 -0.056 0.000 0.975 136 G CA 0.445 45.504 45.100 -0.067 0.000 0.642 136 G HN 0.629 nan 8.290 nan 0.000 0.536 137 R N -0.345 120.129 120.500 -0.044 0.000 2.873 137 R HA 0.617 5.189 4.340 0.386 0.000 0.264 137 R C -0.540 175.748 176.300 -0.021 0.000 1.026 137 R CA -0.544 55.551 56.100 -0.009 0.000 1.002 137 R CB 1.039 31.341 30.300 0.002 0.000 1.174 137 R HN 0.104 nan 8.270 nan 0.000 0.488 138 T N 2.313 116.858 114.554 -0.014 0.000 2.780 138 T HA 0.171 4.752 4.350 0.386 0.000 0.294 138 T C 0.146 174.715 174.700 -0.218 0.000 0.949 138 T CA -0.186 61.822 62.100 -0.153 0.000 1.074 138 T CB 0.547 69.165 68.868 -0.416 0.000 0.910 138 T HN 0.329 nan 8.240 nan 0.000 0.501 139 M N 5.083 124.590 119.600 -0.156 0.000 2.108 139 M HA 0.318 5.029 4.480 0.386 0.000 0.347 139 M C -1.473 174.742 176.300 -0.141 0.000 1.326 139 M CA -0.499 54.751 55.300 -0.083 0.000 1.126 139 M CB 0.046 32.615 32.600 -0.051 0.000 1.606 139 M HN 0.564 nan 8.290 nan 0.000 0.462 140 Y N 3.851 124.207 120.300 0.094 0.000 2.313 140 Y HA 0.417 5.198 4.550 0.385 0.000 0.332 140 Y C -0.081 175.892 175.900 0.121 0.000 1.071 140 Y CA -0.621 57.551 58.100 0.120 0.000 1.169 140 Y CB 1.120 39.621 38.460 0.069 0.000 1.192 140 Y HN 0.351 nan 8.280 nan 0.000 0.487 141 V N 5.906 125.982 119.914 0.269 0.000 2.328 141 V HA 0.307 4.659 4.120 0.386 0.000 0.278 141 V C -0.160 176.068 176.094 0.224 0.000 1.021 141 V CA -0.745 61.675 62.300 0.200 0.000 0.838 141 V CB 0.659 32.553 31.823 0.117 0.000 0.999 141 V HN 0.586 nan 8.190 nan 0.000 0.447 142 I N 7.868 128.587 120.570 0.249 0.000 2.337 142 I HA 0.339 4.741 4.170 0.386 0.000 0.285 142 I C -2.430 173.880 176.117 0.322 0.000 1.041 142 I CA -1.895 59.558 61.300 0.254 0.000 1.199 142 I CB 1.752 39.883 38.000 0.219 0.000 1.370 142 I HN 0.407 nan 8.210 nan 0.000 0.470 143 P HA 0.268 nan 4.420 nan 0.000 0.287 143 P C -1.004 176.415 177.300 0.199 0.000 1.294 143 P CA -0.112 63.061 63.100 0.122 0.000 0.776 143 P CB 0.287 32.002 31.700 0.026 0.000 0.889 144 F N -0.110 119.869 119.950 0.048 0.000 2.599 144 F HA 0.762 5.500 4.527 0.352 0.000 0.311 144 F C -0.669 175.151 175.800 0.033 0.000 1.076 144 F CA -1.398 56.617 58.000 0.026 0.000 0.937 144 F CB 1.421 40.432 39.000 0.018 0.000 1.282 144 F HN 0.145 nan 8.300 nan 0.000 0.460 145 S N 3.389 119.146 115.700 0.096 0.000 2.451 145 S HA 0.622 5.324 4.470 0.386 0.000 0.301 145 S C -0.618 173.981 174.600 -0.002 0.000 1.116 145 S CA -0.787 57.408 58.200 -0.007 0.000 1.093 145 S CB 0.583 63.765 63.200 -0.030 0.000 1.017 145 S HN 0.612 nan 8.310 nan 0.000 0.482 146 M N 4.484 124.018 119.600 -0.110 0.000 2.111 146 M HA 0.455 5.167 4.480 0.386 0.000 0.351 146 M C 0.677 176.776 176.300 -0.334 0.000 1.214 146 M CA 0.111 55.219 55.300 -0.320 0.000 1.120 146 M CB -0.425 31.800 32.600 -0.624 0.000 1.443 146 M HN 1.011 nan 8.290 nan 0.000 0.429 147 G N 5.419 114.032 108.800 -0.310 0.000 2.515 147 G HA2 -0.015 4.176 3.960 0.386 0.000 0.686 147 G HA3 -0.015 4.176 3.960 0.386 0.000 0.686 147 G C -3.376 171.403 174.900 -0.201 0.000 1.274 147 G CA -1.428 43.514 45.100 -0.263 0.000 0.874 147 G HN 0.360 nan 8.290 nan 0.000 0.631 148 P HA 0.234 nan 4.420 nan 0.000 0.263 148 P C 0.755 177.963 177.300 -0.152 0.000 1.175 148 P CA -0.064 62.900 63.100 -0.228 0.000 0.761 148 P CB 0.283 31.831 31.700 -0.253 0.000 0.794 149 L N 2.691 123.835 121.223 -0.132 0.000 2.601 149 L HA 0.042 4.614 4.340 0.386 0.000 0.277 149 L C 1.796 178.617 176.870 -0.082 0.000 1.219 149 L CA 0.818 55.604 54.840 -0.090 0.000 0.915 149 L CB -1.049 40.964 42.059 -0.077 0.000 1.160 149 L HN 0.812 nan 8.230 nan 0.000 0.494 150 G N 2.159 110.922 108.800 -0.062 0.000 2.184 150 G HA2 -0.321 3.870 3.960 0.386 0.000 0.264 150 G HA3 -0.321 3.870 3.960 0.386 0.000 0.264 150 G C 0.454 175.316 174.900 -0.064 0.000 0.975 150 G CA 0.425 45.492 45.100 -0.055 0.000 0.642 150 G HN 0.725 nan 8.290 nan 0.000 0.536 151 S N 0.777 116.430 115.700 -0.078 0.000 2.549 151 S HA 0.431 5.133 4.470 0.386 0.000 0.286 151 S C -0.068 174.487 174.600 -0.074 0.000 1.314 151 S CA -0.193 57.955 58.200 -0.086 0.000 1.062 151 S CB 1.056 64.193 63.200 -0.105 0.000 0.865 151 S HN 0.083 nan 8.310 nan 0.000 0.498 152 P HA -0.027 nan 4.420 nan 0.000 0.223 152 P C 0.699 177.921 177.300 -0.131 0.000 1.144 152 P CA 1.032 64.078 63.100 -0.090 0.000 0.783 152 P CB 0.060 31.707 31.700 -0.088 0.000 0.771 153 L N -2.677 118.464 121.223 -0.136 0.000 2.585 153 L HA 0.243 4.815 4.340 0.386 0.000 0.226 153 L C 1.188 178.040 176.870 -0.030 0.000 1.113 153 L CA -0.428 54.297 54.840 -0.191 0.000 0.876 153 L CB -0.437 41.524 42.059 -0.164 0.000 1.072 153 L HN -0.139 nan 8.230 nan 0.000 0.468 154 A N 0.896 123.720 122.820 0.007 0.000 2.386 154 A HA 0.442 4.994 4.320 0.386 0.000 0.248 154 A C -0.006 177.688 177.584 0.183 0.000 1.082 154 A CA 0.066 52.160 52.037 0.094 0.000 0.789 154 A CB 0.408 19.403 19.000 -0.009 0.000 1.025 154 A HN 0.046 nan 8.150 nan 0.000 0.490 155 K N 1.056 121.647 120.400 0.319 0.000 2.426 155 K HA 0.556 5.107 4.320 0.386 0.000 0.251 155 K C -1.304 175.464 176.600 0.279 0.000 0.941 155 K CA -0.288 56.215 56.287 0.360 0.000 0.808 155 K CB 2.152 35.029 32.500 0.628 0.000 1.265 155 K HN 0.637 nan 8.250 nan 0.000 0.432 156 I N 0.852 121.558 120.570 0.226 0.000 2.460 156 I HA 0.456 4.857 4.170 0.386 0.000 0.298 156 I C 0.593 176.752 176.117 0.070 0.000 0.989 156 I CA -0.560 60.776 61.300 0.061 0.000 1.173 156 I CB 2.026 40.035 38.000 0.014 0.000 1.338 156 I HN 0.644 nan 8.210 nan 0.000 0.456 157 G N 6.020 114.586 108.800 -0.390 0.000 2.569 157 G HA2 0.735 4.927 3.960 0.386 0.000 0.300 157 G HA3 0.735 4.927 3.960 0.386 0.000 0.300 157 G C -1.173 173.399 174.900 -0.548 0.000 1.269 157 G CA -0.403 44.410 45.100 -0.477 0.000 0.959 157 G HN 0.314 nan 8.290 nan 0.000 0.478 158 I N 0.851 121.398 120.570 -0.039 0.000 2.439 158 I HA 0.343 4.744 4.170 0.386 0.000 0.285 158 I C -0.468 175.963 176.117 0.523 0.000 1.021 158 I CA -0.661 60.746 61.300 0.179 0.000 1.091 158 I CB 1.604 39.629 38.000 0.042 0.000 1.242 158 I HN 0.650 nan 8.210 nan 0.000 0.439 159 E N 7.255 127.831 120.200 0.627 0.000 2.151 159 E HA 0.568 5.150 4.350 0.386 0.000 0.275 159 E C -1.410 175.420 176.600 0.383 0.000 0.936 159 E CA -0.604 56.114 56.400 0.530 0.000 0.777 159 E CB 1.419 31.365 29.700 0.409 0.000 1.108 159 E HN 0.498 nan 8.360 nan 0.000 0.401 160 L N 3.762 125.193 121.223 0.346 0.000 2.289 160 L HA 0.516 5.088 4.340 0.386 0.000 0.285 160 L C 0.213 177.238 176.870 0.259 0.000 1.049 160 L CA -0.533 54.433 54.840 0.211 0.000 0.804 160 L CB 1.680 43.754 42.059 0.025 0.000 1.195 160 L HN 0.523 nan 8.230 nan 0.000 0.428 161 T N -0.580 114.131 114.554 0.261 0.000 2.889 161 T HA 0.277 4.858 4.350 0.386 0.000 0.315 161 T C -0.661 174.211 174.700 0.288 0.000 1.291 161 T CA -0.619 61.669 62.100 0.312 0.000 1.028 161 T CB 1.588 70.676 68.868 0.366 0.000 1.235 161 T HN 0.739 nan 8.240 nan 0.000 0.491 162 D N 1.122 121.643 120.400 0.201 0.000 2.388 162 D HA 0.236 5.108 4.640 0.386 0.000 0.221 162 D C 0.281 176.692 176.300 0.185 0.000 1.133 162 D CA -0.221 53.887 54.000 0.181 0.000 0.831 162 D CB 0.272 41.093 40.800 0.036 0.000 0.962 162 D HN 0.250 nan 8.370 nan 0.000 0.502 163 S N 0.634 116.444 115.700 0.182 0.000 2.498 163 S HA 0.413 5.115 4.470 0.386 0.000 0.324 163 S C -1.947 172.604 174.600 -0.081 0.000 1.071 163 S CA -1.511 56.723 58.200 0.057 0.000 1.113 163 S CB 1.618 64.862 63.200 0.073 0.000 0.976 163 S HN -0.263 nan 8.310 nan 0.000 0.462 164 P HA -0.125 nan 4.420 nan 0.000 0.216 164 P C 0.981 178.163 177.300 -0.196 0.000 1.150 164 P CA 0.892 63.776 63.100 -0.361 0.000 0.837 164 P CB -0.097 31.486 31.700 -0.195 0.000 0.786 165 Y N 0.383 120.570 120.300 -0.188 0.000 2.151 165 Y HA -0.248 4.532 4.550 0.382 0.000 0.284 165 Y C 2.028 177.856 175.900 -0.121 0.000 1.166 165 Y CA 1.460 59.491 58.100 -0.115 0.000 1.163 165 Y CB -0.949 37.468 38.460 -0.073 0.000 0.974 165 Y HN -0.270 nan 8.280 nan 0.000 0.511 166 V N -0.785 119.095 119.914 -0.057 0.000 2.295 166 V HA -0.323 4.029 4.120 0.386 0.000 0.246 166 V C 2.358 178.313 176.094 -0.231 0.000 1.049 166 V CA 1.724 63.927 62.300 -0.163 0.000 1.024 166 V CB -0.885 30.880 31.823 -0.097 0.000 0.648 166 V HN 0.383 nan 8.190 nan 0.000 0.447 167 V N 0.508 120.286 119.914 -0.227 0.000 2.282 167 V HA -0.320 4.032 4.120 0.386 0.000 0.249 167 V C 2.724 178.711 176.094 -0.179 0.000 1.057 167 V CA 2.297 64.465 62.300 -0.220 0.000 1.032 167 V CB -1.314 30.292 31.823 -0.362 0.000 0.645 167 V HN 0.570 nan 8.190 nan 0.000 0.447 168 A N -0.380 122.334 122.820 -0.176 0.000 1.902 168 A HA -0.201 4.351 4.320 0.386 0.000 0.217 168 A C 2.473 179.986 177.584 -0.119 0.000 1.181 168 A CA 2.299 54.323 52.037 -0.023 0.000 0.623 168 A CB -0.715 18.240 19.000 -0.075 0.000 0.818 168 A HN 0.522 nan 8.150 nan 0.000 0.443 169 S N -0.427 115.090 115.700 -0.306 0.000 2.383 169 S HA -0.097 4.605 4.470 0.386 0.000 0.227 169 S C 1.988 176.408 174.600 -0.299 0.000 1.026 169 S CA 1.478 59.473 58.200 -0.341 0.000 0.981 169 S CB -0.290 62.587 63.200 -0.538 0.000 0.818 169 S HN 0.458 nan 8.310 nan 0.000 0.472 170 M N 1.130 120.551 119.600 -0.300 0.000 2.213 170 M HA -0.007 4.705 4.480 0.386 0.000 0.263 170 M C 2.179 178.334 176.300 -0.241 0.000 1.062 170 M CA 1.113 56.231 55.300 -0.303 0.000 1.105 170 M CB -1.028 31.384 32.600 -0.313 0.000 1.385 170 M HN 0.280 nan 8.290 nan 0.000 0.417 171 R N 0.513 120.881 120.500 -0.220 0.000 2.096 171 R HA -0.116 4.456 4.340 0.386 0.000 0.235 171 R C 1.988 178.133 176.300 -0.258 0.000 1.127 171 R CA 1.297 57.252 56.100 -0.243 0.000 0.968 171 R CB -0.138 29.948 30.300 -0.356 0.000 0.861 171 R HN 0.329 nan 8.270 nan 0.000 0.440 172 I N -0.016 120.403 120.570 -0.251 0.000 2.277 172 I HA -0.224 4.178 4.170 0.386 0.000 0.243 172 I C 2.055 178.067 176.117 -0.174 0.000 1.094 172 I CA 0.810 61.991 61.300 -0.198 0.000 1.393 172 I CB -0.089 37.827 38.000 -0.140 0.000 1.078 172 I HN 0.166 nan 8.210 nan 0.000 0.417 173 M N 0.184 119.666 119.600 -0.197 0.000 2.506 173 M HA 0.066 4.778 4.480 0.386 0.000 0.260 173 M C 1.025 177.210 176.300 -0.192 0.000 1.104 173 M CA 0.779 55.959 55.300 -0.201 0.000 1.112 173 M CB -1.060 31.387 32.600 -0.255 0.000 1.401 173 M HN 0.348 nan 8.290 nan 0.000 0.473 174 T N -1.527 112.919 114.554 -0.180 0.000 2.864 174 T HA 0.636 5.218 4.350 0.386 0.000 0.289 174 T C -0.416 174.246 174.700 -0.064 0.000 1.082 174 T CA -0.993 61.037 62.100 -0.117 0.000 1.009 174 T CB 2.123 70.922 68.868 -0.114 0.000 1.234 174 T HN 0.076 nan 8.240 nan 0.000 0.526 175 R N 1.027 121.519 120.500 -0.015 0.000 2.196 175 R HA 0.606 5.178 4.340 0.386 0.000 0.340 175 R C -0.162 176.165 176.300 0.045 0.000 1.043 175 R CA -0.463 55.629 56.100 -0.013 0.000 0.883 175 R CB 0.637 30.914 30.300 -0.039 0.000 1.078 175 R HN 0.773 nan 8.270 nan 0.000 0.462 176 M N 0.718 120.333 119.600 0.024 0.000 2.530 176 M HA 0.860 5.572 4.480 0.386 0.000 0.307 176 M C -0.089 176.232 176.300 0.036 0.000 1.161 176 M CA -0.209 55.132 55.300 0.069 0.000 0.903 176 M CB 2.528 35.179 32.600 0.085 0.000 1.711 176 M HN 0.535 nan 8.290 nan 0.000 0.451 177 G N 0.642 109.474 108.800 0.053 0.000 2.293 177 G HA2 0.051 4.243 3.960 0.386 0.000 0.282 177 G HA3 0.051 4.243 3.960 0.386 0.000 0.282 177 G C -0.077 174.837 174.900 0.023 0.000 1.299 177 G CA -0.190 44.933 45.100 0.039 0.000 1.018 177 G HN 0.866 nan 8.290 nan 0.000 0.478 178 T N 0.950 115.513 114.554 0.014 0.000 2.720 178 T HA -0.129 4.452 4.350 0.386 0.000 0.268 178 T C 2.902 177.599 174.700 -0.006 0.000 1.037 178 T CA 3.224 65.325 62.100 0.002 0.000 1.144 178 T CB -0.607 68.261 68.868 0.000 0.000 0.864 178 T HN 1.525 nan 8.240 nan 0.000 0.444 179 S N 1.397 117.093 115.700 -0.006 0.000 2.400 179 S HA -0.112 4.589 4.470 0.386 0.000 0.232 179 S C 2.131 176.720 174.600 -0.017 0.000 1.025 179 S CA 1.093 59.285 58.200 -0.013 0.000 0.993 179 S CB -0.961 62.230 63.200 -0.016 0.000 0.808 179 S HN 0.337 nan 8.310 nan 0.000 0.478 180 V N 2.112 122.018 119.914 -0.014 0.000 2.307 180 V HA -0.107 4.245 4.120 0.386 0.000 0.245 180 V C 2.612 178.684 176.094 -0.036 0.000 1.045 180 V CA 1.788 64.075 62.300 -0.022 0.000 1.024 180 V CB -0.929 30.888 31.823 -0.009 0.000 0.651 180 V HN 0.444 nan 8.190 nan 0.000 0.449 181 L N -0.198 121.004 121.223 -0.036 0.000 2.012 181 L HA -0.244 4.328 4.340 0.386 0.000 0.210 181 L C 2.683 179.531 176.870 -0.037 0.000 1.073 181 L CA 1.959 56.769 54.840 -0.050 0.000 0.748 181 L CB -0.635 41.400 42.059 -0.040 0.000 0.891 181 L HN 0.403 nan 8.230 nan 0.000 0.431 182 E N -0.187 119.998 120.200 -0.025 0.000 2.085 182 E HA -0.234 4.348 4.350 0.386 0.000 0.194 182 E C 2.229 178.818 176.600 -0.018 0.000 0.994 182 E CA 1.184 57.573 56.400 -0.019 0.000 0.801 182 E CB -0.193 29.498 29.700 -0.015 0.000 0.743 182 E HN 0.529 nan 8.360 nan 0.000 0.453 183 A N 1.095 123.903 122.820 -0.020 0.000 1.930 183 A HA -0.129 4.423 4.320 0.386 0.000 0.217 183 A C 2.140 179.716 177.584 -0.013 0.000 1.175 183 A CA 0.792 52.818 52.037 -0.018 0.000 0.627 183 A CB -0.413 18.574 19.000 -0.023 0.000 0.815 183 A HN 0.209 nan 8.150 nan 0.000 0.443 184 L N -0.530 120.682 121.223 -0.019 0.000 2.017 184 L HA 0.119 4.691 4.340 0.386 0.000 0.208 184 L C 1.779 178.653 176.870 0.007 0.000 1.073 184 L CA 2.011 56.846 54.840 -0.009 0.000 0.745 184 L CB -1.235 40.796 42.059 -0.045 0.000 0.894 184 L HN 0.722 nan 8.230 nan 0.000 0.432 185 G N -0.716 108.083 108.800 -0.003 0.000 2.634 185 G HA2 -0.410 3.781 3.960 0.386 0.000 0.309 185 G HA3 -0.410 3.781 3.960 0.386 0.000 0.309 185 G C 0.552 175.469 174.900 0.028 0.000 1.265 185 G CA 0.487 45.592 45.100 0.008 0.000 0.998 185 G HN 0.410 nan 8.290 nan 0.000 0.551 186 D N 2.361 122.783 120.400 0.037 0.000 2.336 186 D HA 0.325 5.196 4.640 0.386 0.000 0.228 186 D C 1.453 177.795 176.300 0.071 0.000 1.120 186 D CA 0.888 54.922 54.000 0.057 0.000 0.839 186 D CB -0.382 40.441 40.800 0.040 0.000 0.932 186 D HN 0.667 nan 8.370 nan 0.000 0.509 187 G N 1.073 109.917 108.800 0.074 0.000 2.684 187 G HA2 0.149 4.340 3.960 0.386 0.000 0.255 187 G HA3 0.149 4.340 3.960 0.386 0.000 0.255 187 G C 0.297 175.272 174.900 0.125 0.000 1.219 187 G CA -0.511 44.634 45.100 0.075 0.000 0.901 187 G HN 0.156 nan 8.290 nan 0.000 0.548 188 E N -1.155 119.081 120.200 0.061 0.000 2.390 188 E HA 0.484 5.066 4.350 0.386 0.000 0.261 188 E C -0.833 175.819 176.600 0.088 0.000 1.076 188 E CA -0.421 55.973 56.400 -0.011 0.000 0.905 188 E CB 0.897 30.551 29.700 -0.077 0.000 0.984 188 E HN 0.425 nan 8.360 nan 0.000 0.427 189 F N -0.479 119.406 119.950 -0.109 0.000 2.645 189 F HA 0.500 5.254 4.527 0.378 0.000 0.310 189 F C -1.190 174.474 175.800 -0.226 0.000 1.102 189 F CA -1.704 56.212 58.000 -0.141 0.000 0.952 189 F CB 0.839 39.749 39.000 -0.149 0.000 1.326 189 F HN 0.194 nan 8.300 nan 0.000 0.456 190 I N 2.544 123.037 120.570 -0.128 0.000 2.352 190 I HA 0.223 4.624 4.170 0.386 0.000 0.290 190 I C -0.113 175.890 176.117 -0.189 0.000 1.036 190 I CA -0.604 60.493 61.300 -0.338 0.000 1.336 190 I CB 0.986 38.548 38.000 -0.731 0.000 1.407 190 I HN 0.641 nan 8.210 nan 0.000 0.497 191 K N 5.592 125.766 120.400 -0.376 0.000 2.338 191 K HA 0.311 4.863 4.320 0.386 0.000 0.290 191 K C -0.869 175.693 176.600 -0.064 0.000 1.069 191 K CA -0.161 55.816 56.287 -0.515 0.000 0.941 191 K CB 0.474 32.499 32.500 -0.791 0.000 1.023 191 K HN 0.551 nan 8.250 nan 0.000 0.477 192 C N 4.493 123.944 119.300 0.252 0.000 2.319 192 C HA 0.451 5.143 4.460 0.386 0.000 0.323 192 C C -0.714 174.587 174.990 0.518 0.000 1.277 192 C CA -1.070 58.170 59.018 0.371 0.000 1.517 192 C CB -0.102 27.895 27.740 0.429 0.000 2.206 192 C HN 0.678 nan 8.230 nan 0.000 0.486 193 L N 4.792 126.259 121.223 0.406 0.000 2.356 193 L HA 0.618 5.189 4.340 0.386 0.000 0.277 193 L C -0.560 176.564 176.870 0.422 0.000 0.996 193 L CA 0.185 55.242 54.840 0.362 0.000 0.822 193 L CB 0.708 42.906 42.059 0.230 0.000 1.256 193 L HN 0.835 nan 8.230 nan 0.000 0.413 194 H N 3.376 122.635 119.070 0.314 0.000 2.679 194 H HA 0.656 5.446 4.556 0.391 0.000 0.360 194 H C -1.887 173.602 175.328 0.269 0.000 1.105 194 H CA -0.397 55.833 56.048 0.305 0.000 1.196 194 H CB 2.104 31.981 29.762 0.192 0.000 1.636 194 H HN 0.661 nan 8.280 nan 0.000 0.531 195 S N 3.403 118.787 115.700 -0.526 0.000 2.548 195 S HA 0.191 4.892 4.470 0.386 0.000 0.276 195 S C 1.044 175.069 174.600 -0.958 0.000 1.129 195 S CA -0.234 57.583 58.200 -0.639 0.000 0.931 195 S CB 1.159 64.186 63.200 -0.289 0.000 1.068 195 S HN 0.572 nan 8.310 nan 0.000 0.480 196 V N 2.265 121.752 119.914 -0.713 0.000 3.078 196 V HA 0.292 4.644 4.120 0.386 0.000 0.265 196 V C 1.478 177.156 176.094 -0.693 0.000 1.122 196 V CA 1.186 63.158 62.300 -0.546 0.000 1.141 196 V CB -1.548 30.060 31.823 -0.358 0.000 0.735 196 V HN 1.897 nan 8.190 nan 0.000 0.498 197 G N -0.594 107.693 108.800 -0.854 0.000 2.225 197 G HA2 -0.247 3.945 3.960 0.386 0.000 0.264 197 G HA3 -0.247 3.945 3.960 0.386 0.000 0.264 197 G C -0.018 174.668 174.900 -0.357 0.000 1.060 197 G CA 0.058 44.601 45.100 -0.927 0.000 0.833 197 G HN 0.861 nan 8.290 nan 0.000 0.498 198 C N 1.896 121.045 119.300 -0.251 0.000 3.414 198 C HA 0.408 5.099 4.460 0.386 0.000 0.208 198 C C -1.337 173.595 174.990 -0.097 0.000 1.422 198 C CA -1.514 57.419 59.018 -0.141 0.000 1.437 198 C CB 0.420 28.078 27.740 -0.138 0.000 1.850 198 C HN 0.535 nan 8.230 nan 0.000 0.481 199 P HA 0.117 nan 4.420 nan 0.000 0.267 199 P C -0.619 176.658 177.300 -0.039 0.000 1.200 199 P CA 0.554 63.626 63.100 -0.048 0.000 0.772 199 P CB 0.955 32.636 31.700 -0.031 0.000 0.855 200 L N 3.968 125.171 121.223 -0.033 0.000 2.334 200 L HA 0.404 4.976 4.340 0.386 0.000 0.277 200 L C -1.637 175.219 176.870 -0.024 0.000 1.075 200 L CA -2.248 52.576 54.840 -0.026 0.000 0.804 200 L CB 0.693 42.738 42.059 -0.023 0.000 1.174 200 L HN 0.272 nan 8.230 nan 0.000 0.438 201 P HA 0.122 nan 4.420 nan 0.000 0.271 201 P C -0.580 176.710 177.300 -0.017 0.000 1.216 201 P CA -0.370 62.720 63.100 -0.016 0.000 0.776 201 P CB 0.675 32.367 31.700 -0.012 0.000 0.881 202 L N 3.232 124.445 121.223 -0.016 0.000 2.540 202 L HA -0.019 4.553 4.340 0.386 0.000 0.276 202 L C 1.791 178.653 176.870 -0.013 0.000 1.212 202 L CA 0.285 55.114 54.840 -0.018 0.000 0.893 202 L CB 0.086 42.136 42.059 -0.015 0.000 1.138 202 L HN 0.349 nan 8.230 nan 0.000 0.491 203 K N 2.440 122.832 120.400 -0.013 0.000 2.356 203 K HA 0.178 4.729 4.320 0.386 0.000 0.195 203 K C 0.110 176.707 176.600 -0.005 0.000 1.037 203 K CA 0.606 56.888 56.287 -0.009 0.000 1.014 203 K CB 0.454 32.949 32.500 -0.009 0.000 0.815 203 K HN 0.537 nan 8.250 nan 0.000 0.507 204 K N 0.991 121.388 120.400 -0.005 0.000 2.443 204 K HA 0.377 4.929 4.320 0.386 0.000 0.251 204 K C -2.722 173.879 176.600 0.002 0.000 0.972 204 K CA -1.987 54.300 56.287 0.001 0.000 0.833 204 K CB 1.483 33.985 32.500 0.003 0.000 1.317 204 K HN -0.250 nan 8.250 nan 0.000 0.441 205 P HA -0.018 nan 4.420 nan 0.000 0.265 205 P C -1.073 176.237 177.300 0.016 0.000 1.193 205 P CA -0.397 62.710 63.100 0.011 0.000 0.765 205 P CB 0.341 32.049 31.700 0.013 0.000 0.823 206 L N 4.903 126.136 121.223 0.018 0.000 2.290 206 L HA 0.243 4.815 4.340 0.386 0.000 0.284 206 L C -0.719 176.177 176.870 0.044 0.000 1.078 206 L CA -0.126 54.731 54.840 0.028 0.000 0.815 206 L CB 0.810 42.880 42.059 0.020 0.000 1.162 206 L HN 0.073 nan 8.230 nan 0.000 0.435 207 V N 5.788 125.744 119.914 0.069 0.000 2.398 207 V HA 0.329 4.681 4.120 0.386 0.000 0.286 207 V C 0.535 176.691 176.094 0.104 0.000 1.026 207 V CA -0.662 61.679 62.300 0.069 0.000 0.868 207 V CB 0.992 32.853 31.823 0.063 0.000 0.982 207 V HN 0.945 nan 8.190 nan 0.000 0.443 208 N N 3.850 122.592 118.700 0.070 0.000 2.721 208 N HA -0.247 4.725 4.740 0.386 0.000 0.249 208 N C 0.218 175.814 175.510 0.144 0.000 1.072 208 N CA 0.601 53.699 53.050 0.081 0.000 0.710 208 N CB -1.124 37.393 38.487 0.049 0.000 0.993 208 N HN 0.978 nan 8.380 nan 0.000 0.547 209 N N -1.868 116.904 118.700 0.120 0.000 2.710 209 N HA -0.225 4.747 4.740 0.386 0.000 0.249 209 N C -1.222 174.398 175.510 0.183 0.000 1.059 209 N CA 1.240 54.359 53.050 0.116 0.000 0.720 209 N CB -0.527 38.015 38.487 0.092 0.000 0.983 209 N HN 0.582 nan 8.380 nan 0.000 0.544 210 W N 1.036 122.328 121.300 -0.013 0.000 2.391 210 W HA 0.664 5.551 4.660 0.379 0.000 0.312 210 W C -0.528 175.976 176.519 -0.025 0.000 1.003 210 W CA -0.931 56.399 57.345 -0.025 0.000 1.375 210 W CB 0.565 30.014 29.460 -0.018 0.000 1.253 210 W HN 0.069 nan 8.180 nan 0.000 0.416 211 A N 5.229 127.851 122.820 -0.330 0.000 2.492 211 A HA 0.498 5.049 4.320 0.386 0.000 0.254 211 A C -0.032 177.346 177.584 -0.343 0.000 1.091 211 A CA 0.542 52.415 52.037 -0.274 0.000 0.768 211 A CB -0.340 18.505 19.000 -0.259 0.000 1.028 211 A HN 0.876 nan 8.150 nan 0.000 0.498 212 C N 1.251 120.465 119.300 -0.143 0.000 3.312 212 C HA 0.766 5.458 4.460 0.386 0.000 0.332 212 C C -0.867 174.077 174.990 -0.077 0.000 1.340 212 C CA -0.993 57.974 59.018 -0.085 0.000 1.265 212 C CB 1.601 29.420 27.740 0.131 0.000 1.563 212 C HN 0.788 nan 8.230 nan 0.000 0.471 213 N N 1.194 119.838 118.700 -0.094 0.000 2.727 213 N HA 0.406 5.377 4.740 0.386 0.000 0.252 213 N C -2.154 173.369 175.510 0.023 0.000 1.283 213 N CA -1.377 51.642 53.050 -0.051 0.000 0.782 213 N CB 1.551 39.969 38.487 -0.115 0.000 1.199 213 N HN 0.488 nan 8.380 nan 0.000 0.520 214 P HA -0.093 nan 4.420 nan 0.000 0.215 214 P C 0.741 178.087 177.300 0.076 0.000 1.153 214 P CA 1.340 64.482 63.100 0.070 0.000 0.853 214 P CB 0.618 32.357 31.700 0.065 0.000 0.788 215 E N -0.801 119.440 120.200 0.068 0.000 2.153 215 E HA -0.093 4.489 4.350 0.386 0.000 0.194 215 E C 1.501 178.153 176.600 0.085 0.000 0.988 215 E CA 0.927 57.366 56.400 0.066 0.000 0.811 215 E CB -0.647 29.084 29.700 0.051 0.000 0.746 215 E HN 0.255 nan 8.360 nan 0.000 0.466 216 L N 0.476 121.775 121.223 0.126 0.000 2.700 216 L HA 0.168 4.740 4.340 0.386 0.000 0.234 216 L C 0.127 177.156 176.870 0.266 0.000 1.156 216 L CA -0.281 54.664 54.840 0.175 0.000 0.946 216 L CB 0.198 42.400 42.059 0.238 0.000 1.216 216 L HN -0.093 nan 8.230 nan 0.000 0.493 217 T N 2.423 117.097 114.554 0.199 0.000 2.871 217 T HA 0.238 4.820 4.350 0.386 0.000 0.296 217 T C -0.402 174.430 174.700 0.220 0.000 0.998 217 T CA 0.587 62.810 62.100 0.206 0.000 1.162 217 T CB 0.726 69.683 68.868 0.148 0.000 0.947 217 T HN -0.027 nan 8.240 nan 0.000 0.536 218 L N 5.224 126.614 121.223 0.278 0.000 2.543 218 L HA 0.571 5.143 4.340 0.386 0.000 0.265 218 L C -1.750 175.306 176.870 0.309 0.000 0.945 218 L CA -0.496 54.508 54.840 0.273 0.000 0.869 218 L CB 1.627 43.854 42.059 0.280 0.000 1.294 218 L HN 0.496 nan 8.230 nan 0.000 0.405 219 I N 5.133 125.856 120.570 0.254 0.000 2.405 219 I HA 0.762 5.163 4.170 0.386 0.000 0.280 219 I C 0.118 176.309 176.117 0.123 0.000 1.027 219 I CA -0.102 61.323 61.300 0.208 0.000 1.161 219 I CB 1.545 39.678 38.000 0.222 0.000 1.300 219 I HN 0.692 nan 8.210 nan 0.000 0.463 220 A N 5.053 127.883 122.820 0.017 0.000 2.337 220 A HA 0.868 5.419 4.320 0.386 0.000 0.329 220 A C -1.070 176.282 177.584 -0.386 0.000 1.146 220 A CA -0.507 51.467 52.037 -0.105 0.000 0.800 220 A CB 0.461 19.364 19.000 -0.162 0.000 1.220 220 A HN 0.685 nan 8.150 nan 0.000 0.472 221 H N 0.621 119.619 119.070 -0.119 0.000 2.589 221 H HA 0.587 5.338 4.556 0.326 0.000 0.351 221 H C -1.319 173.907 175.328 -0.169 0.000 1.074 221 H CA -0.478 55.517 56.048 -0.088 0.000 1.203 221 H CB 1.397 31.163 29.762 0.007 0.000 1.558 221 H HN 0.396 nan 8.280 nan 0.000 0.522 222 L N 5.249 126.423 121.223 -0.082 0.000 2.457 222 L HA 0.287 4.859 4.340 0.386 0.000 0.252 222 L C -1.733 175.092 176.870 -0.076 0.000 1.132 222 L CA -1.185 53.579 54.840 -0.127 0.000 0.938 222 L CB 1.482 43.408 42.059 -0.222 0.000 1.246 222 L HN 0.533 nan 8.230 nan 0.000 0.476 223 P HA -0.157 nan 4.420 nan 0.000 0.218 223 P C 0.539 177.794 177.300 -0.074 0.000 1.148 223 P CA 1.259 64.334 63.100 -0.042 0.000 0.822 223 P CB 0.477 32.171 31.700 -0.010 0.000 0.784 224 D N -0.287 120.074 120.400 -0.064 0.000 2.219 224 D HA -0.077 4.795 4.640 0.386 0.000 0.205 224 D C 1.934 178.178 176.300 -0.093 0.000 0.970 224 D CA 0.856 54.813 54.000 -0.071 0.000 0.851 224 D CB -0.175 40.597 40.800 -0.047 0.000 0.943 224 D HN 0.273 nan 8.370 nan 0.000 0.488 225 R N 0.107 120.542 120.500 -0.107 0.000 2.334 225 R HA 0.135 4.707 4.340 0.386 0.000 0.216 225 R C 0.002 176.195 176.300 -0.177 0.000 0.905 225 R CA -0.234 55.787 56.100 -0.132 0.000 1.064 225 R CB 0.579 30.804 30.300 -0.126 0.000 1.046 225 R HN -0.111 nan 8.270 nan 0.000 0.508 226 R N 1.290 121.687 120.500 -0.173 0.000 3.336 226 R HA -0.167 4.404 4.340 0.386 0.000 0.260 226 R C -1.127 175.026 176.300 -0.244 0.000 1.032 226 R CA 0.900 56.868 56.100 -0.220 0.000 0.693 226 R CB -2.351 27.785 30.300 -0.274 0.000 1.134 226 R HN 0.474 nan 8.270 nan 0.000 0.433 227 E N -0.030 120.063 120.200 -0.179 0.000 2.248 227 E HA 0.593 5.175 4.350 0.386 0.000 0.267 227 E C -0.180 176.359 176.600 -0.102 0.000 0.877 227 E CA -0.864 55.448 56.400 -0.146 0.000 0.759 227 E CB 1.874 31.499 29.700 -0.125 0.000 1.182 227 E HN 0.093 nan 8.360 nan 0.000 0.418 228 I N 3.579 124.121 120.570 -0.047 0.000 2.406 228 I HA 0.424 4.825 4.170 0.386 0.000 0.290 228 I C -0.685 175.463 176.117 0.051 0.000 0.999 228 I CA -0.505 60.769 61.300 -0.044 0.000 1.124 228 I CB 1.314 39.322 38.000 0.013 0.000 1.289 228 I HN 0.340 nan 8.210 nan 0.000 0.441 229 I N 5.036 125.633 120.570 0.046 0.000 2.468 229 I HA 0.322 4.724 4.170 0.386 0.000 0.284 229 I C -0.478 175.853 176.117 0.358 0.000 1.038 229 I CA -0.237 61.199 61.300 0.228 0.000 1.083 229 I CB 1.926 40.109 38.000 0.306 0.000 1.223 229 I HN 0.453 nan 8.210 nan 0.000 0.443 230 S N 6.732 122.723 115.700 0.485 0.000 2.532 230 S HA 0.700 5.402 4.470 0.386 0.000 0.299 230 S C -1.378 173.584 174.600 0.604 0.000 1.105 230 S CA -0.380 58.117 58.200 0.495 0.000 1.018 230 S CB 1.097 64.531 63.200 0.390 0.000 1.021 230 S HN 0.409 nan 8.310 nan 0.000 0.483 231 F N 3.524 123.639 119.950 0.275 0.000 2.556 231 F HA 0.658 5.414 4.527 0.381 0.000 0.314 231 F C 0.835 176.632 175.800 -0.004 0.000 1.106 231 F CA 0.576 58.569 58.000 -0.011 0.000 0.911 231 F CB 1.728 40.587 39.000 -0.235 0.000 1.190 231 F HN 0.854 nan 8.300 nan 0.000 0.448 232 G N 2.669 111.096 108.800 -0.621 0.000 2.234 232 G HA2 -0.190 4.002 3.960 0.386 0.000 0.235 232 G HA3 -0.190 4.002 3.960 0.386 0.000 0.235 232 G C -0.088 174.750 174.900 -0.104 0.000 0.997 232 G CA 0.116 44.971 45.100 -0.408 0.000 0.623 232 G HN 1.040 nan 8.290 nan 0.000 0.514 233 S N -0.039 115.694 115.700 0.055 0.000 2.482 233 S HA 0.631 5.333 4.470 0.386 0.000 0.303 233 S C 1.090 175.868 174.600 0.296 0.000 1.091 233 S CA 0.760 59.080 58.200 0.199 0.000 1.057 233 S CB 1.536 64.883 63.200 0.245 0.000 1.031 233 S HN 1.358 nan 8.310 nan 0.000 0.485 234 G N 2.562 111.535 108.800 0.289 0.000 3.189 234 G HA2 0.157 4.348 3.960 0.386 0.000 0.225 234 G HA3 0.157 4.348 3.960 0.386 0.000 0.225 234 G C -0.305 174.849 174.900 0.423 0.000 1.159 234 G CA -0.049 45.163 45.100 0.186 0.000 0.763 234 G HN 0.680 nan 8.290 nan 0.000 0.549 235 Y N 1.332 121.860 120.300 0.380 0.000 2.326 235 Y HA 0.435 5.213 4.550 0.380 0.000 0.337 235 Y C 1.451 177.499 175.900 0.246 0.000 1.023 235 Y CA 0.327 58.642 58.100 0.359 0.000 1.143 235 Y CB 1.190 39.797 38.460 0.245 0.000 1.183 235 Y HN 0.326 nan 8.280 nan 0.000 0.485 236 G N 3.924 112.712 108.800 -0.020 0.000 2.693 236 G HA2 -0.457 3.735 3.960 0.386 0.000 0.354 236 G HA3 -0.457 3.735 3.960 0.386 0.000 0.354 236 G C 1.374 176.257 174.900 -0.029 0.000 1.207 236 G CA 0.785 45.850 45.100 -0.058 0.000 0.958 236 G HN 1.307 nan 8.290 nan 0.000 0.560 237 G N 0.033 108.937 108.800 0.174 0.000 2.498 237 G HA2 -0.079 4.113 3.960 0.386 0.000 0.219 237 G HA3 -0.079 4.113 3.960 0.386 0.000 0.219 237 G C 1.482 176.485 174.900 0.171 0.000 1.119 237 G CA 1.502 46.692 45.100 0.151 0.000 0.766 237 G HN 0.580 nan 8.290 nan 0.000 0.552 238 N N 0.398 119.219 118.700 0.201 0.000 2.395 238 N HA -0.039 4.933 4.740 0.386 0.000 0.175 238 N C 2.347 177.925 175.510 0.115 0.000 1.029 238 N CA 1.374 54.544 53.050 0.200 0.000 0.897 238 N CB 0.245 38.882 38.487 0.251 0.000 0.991 238 N HN 0.491 nan 8.380 nan 0.000 0.441 239 S N -0.456 115.236 115.700 -0.013 0.000 2.613 239 S HA 0.222 4.924 4.470 0.386 0.000 0.235 239 S C 0.661 175.065 174.600 -0.327 0.000 1.073 239 S CA -0.381 57.614 58.200 -0.341 0.000 0.899 239 S CB -0.076 62.919 63.200 -0.341 0.000 0.818 239 S HN 0.025 nan 8.310 nan 0.000 0.484 240 L N 3.298 124.383 121.223 -0.229 0.000 2.375 240 L HA 0.388 4.960 4.340 0.386 0.000 0.276 240 L C 0.784 177.548 176.870 -0.177 0.000 1.162 240 L CA -0.287 54.386 54.840 -0.277 0.000 0.991 240 L CB 0.169 41.983 42.059 -0.409 0.000 1.315 240 L HN 0.243 nan 8.230 nan 0.000 0.431 241 L N 1.860 123.016 121.223 -0.112 0.000 2.376 241 L HA -0.046 4.526 4.340 0.386 0.000 0.219 241 L C 2.427 179.408 176.870 0.185 0.000 1.133 241 L CA 0.887 55.771 54.840 0.073 0.000 0.816 241 L CB -0.380 41.780 42.059 0.169 0.000 0.933 241 L HN 0.790 nan 8.230 nan 0.000 0.449 242 G N 0.376 109.167 108.800 -0.015 0.000 2.408 242 G HA2 -0.298 3.894 3.960 0.386 0.000 0.217 242 G HA3 -0.298 3.894 3.960 0.386 0.000 0.217 242 G C 1.639 176.552 174.900 0.022 0.000 1.150 242 G CA 0.693 45.815 45.100 0.036 0.000 0.776 242 G HN 0.201 nan 8.290 nan 0.000 0.542 243 K N 0.164 120.522 120.400 -0.069 0.000 2.044 243 K HA -0.101 4.450 4.320 0.386 0.000 0.210 243 K C 2.045 178.628 176.600 -0.028 0.000 1.049 243 K CA 1.550 57.783 56.287 -0.091 0.000 0.927 243 K CB 0.078 32.470 32.500 -0.181 0.000 0.713 243 K HN 0.177 nan 8.250 nan 0.000 0.443 244 K N -2.142 118.289 120.400 0.052 0.000 2.665 244 K HA 0.165 4.716 4.320 0.386 0.000 0.197 244 K C 2.182 178.918 176.600 0.227 0.000 1.463 244 K CA 0.616 56.928 56.287 0.041 0.000 1.107 244 K CB -0.469 32.060 32.500 0.048 0.000 1.584 244 K HN 0.104 nan 8.250 nan 0.000 0.558 245 C N 1.592 121.093 119.300 0.335 0.000 2.413 245 C HA -0.075 4.616 4.460 0.386 0.000 0.277 245 C C 2.484 177.773 174.990 0.499 0.000 1.228 245 C CA 0.713 60.038 59.018 0.511 0.000 1.731 245 C CB -0.828 27.155 27.740 0.406 0.000 2.042 245 C HN 0.353 nan 8.230 nan 0.000 0.468 246 F N 1.943 122.071 119.950 0.298 0.000 2.123 246 F HA 0.208 4.873 4.527 0.231 0.000 0.289 246 F C 2.411 178.455 175.800 0.407 0.000 1.099 246 F CA 1.145 59.350 58.000 0.341 0.000 1.234 246 F CB -1.260 37.974 39.000 0.390 0.000 1.034 246 F HN 0.130 nan 8.300 nan 0.000 0.479 247 A N 0.263 123.443 122.820 0.599 0.000 1.978 247 A HA -0.117 4.435 4.320 0.386 0.000 0.220 247 A C 2.235 180.185 177.584 0.609 0.000 1.170 247 A CA 2.154 54.531 52.037 0.566 0.000 0.636 247 A CB -0.746 18.359 19.000 0.175 0.000 0.810 247 A HN 0.502 nan 8.150 nan 0.000 0.448 248 L N -3.162 118.275 121.223 0.356 0.000 2.588 248 L HA 0.138 4.710 4.340 0.386 0.000 0.194 248 L C 2.700 179.705 176.870 0.226 0.000 1.070 248 L CA 0.128 55.116 54.840 0.245 0.000 0.852 248 L CB -0.376 41.694 42.059 0.019 0.000 1.199 248 L HN 0.180 nan 8.230 nan 0.000 0.486 249 R N 0.436 121.056 120.500 0.200 0.000 2.056 249 R HA -0.046 4.526 4.340 0.386 0.000 0.227 249 R C 2.180 178.567 176.300 0.144 0.000 1.149 249 R CA 1.166 57.331 56.100 0.108 0.000 0.937 249 R CB -0.220 29.991 30.300 -0.149 0.000 0.835 249 R HN 0.157 nan 8.270 nan 0.000 0.430 250 I N 1.144 121.832 120.570 0.196 0.000 2.179 250 I HA -0.211 4.191 4.170 0.386 0.000 0.242 250 I C 2.595 178.764 176.117 0.087 0.000 1.088 250 I CA 1.419 62.793 61.300 0.123 0.000 1.357 250 I CB -1.427 36.606 38.000 0.054 0.000 1.051 250 I HN 0.189 nan 8.210 nan 0.000 0.409 251 A N 1.122 124.057 122.820 0.191 0.000 1.940 251 A HA -0.216 4.336 4.320 0.386 0.000 0.219 251 A C 2.536 179.965 177.584 -0.258 0.000 1.176 251 A CA 2.390 54.424 52.037 -0.006 0.000 0.631 251 A CB -0.835 18.206 19.000 0.068 0.000 0.814 251 A HN 0.584 nan 8.150 nan 0.000 0.446 252 S N -0.667 115.020 115.700 -0.022 0.000 2.382 252 S HA -0.164 4.537 4.470 0.386 0.000 0.228 252 S C 2.080 176.681 174.600 0.001 0.000 1.027 252 S CA 1.103 59.341 58.200 0.063 0.000 0.991 252 S CB -0.427 62.986 63.200 0.354 0.000 0.823 252 S HN 0.509 nan 8.310 nan 0.000 0.469 253 R N 1.228 121.724 120.500 -0.006 0.000 2.075 253 R HA 0.149 4.721 4.340 0.386 0.000 0.232 253 R C 2.345 178.428 176.300 -0.362 0.000 1.126 253 R CA 1.205 57.172 56.100 -0.222 0.000 0.963 253 R CB -0.920 29.338 30.300 -0.071 0.000 0.858 253 R HN 0.508 nan 8.270 nan 0.000 0.435 254 L N 0.160 121.202 121.223 -0.302 0.000 2.042 254 L HA -0.192 4.380 4.340 0.386 0.000 0.210 254 L C 2.684 179.203 176.870 -0.585 0.000 1.076 254 L CA 1.547 56.206 54.840 -0.301 0.000 0.749 254 L CB -0.669 41.317 42.059 -0.123 0.000 0.893 254 L HN 0.200 nan 8.230 nan 0.000 0.432 255 A N -0.078 122.076 122.820 -1.109 0.000 1.902 255 A HA -0.259 4.293 4.320 0.386 0.000 0.217 255 A C 2.426 179.496 177.584 -0.857 0.000 1.181 255 A CA 1.959 52.984 52.037 -1.686 0.000 0.623 255 A CB -0.492 17.545 19.000 -1.604 0.000 0.818 255 A HN 0.328 nan 8.150 nan 0.000 0.443 256 K N -0.101 119.823 120.400 -0.793 0.000 2.032 256 K HA -0.214 4.337 4.320 0.386 0.000 0.209 256 K C 1.871 178.103 176.600 -0.614 0.000 1.048 256 K CA 1.857 57.539 56.287 -1.007 0.000 0.927 256 K CB -0.217 31.585 32.500 -1.163 0.000 0.712 256 K HN 0.657 nan 8.250 nan 0.000 0.441 257 E N 0.052 119.983 120.200 -0.449 0.000 2.106 257 E HA -0.169 4.413 4.350 0.386 0.000 0.192 257 E C 1.502 178.022 176.600 -0.133 0.000 0.984 257 E CA 1.290 57.539 56.400 -0.252 0.000 0.806 257 E CB 0.119 29.699 29.700 -0.199 0.000 0.750 257 E HN 0.436 nan 8.360 nan 0.000 0.458 258 E N -1.131 119.000 120.200 -0.115 0.000 2.476 258 E HA 0.126 4.707 4.350 0.386 0.000 0.199 258 E C 0.630 177.353 176.600 0.204 0.000 1.021 258 E CA 0.282 56.740 56.400 0.096 0.000 0.907 258 E CB 1.199 31.088 29.700 0.314 0.000 0.974 258 E HN 0.302 nan 8.360 nan 0.000 0.489 259 G N 1.557 110.442 108.800 0.143 0.000 2.130 259 G HA2 -0.174 4.018 3.960 0.386 0.000 0.216 259 G HA3 -0.174 4.018 3.960 0.386 0.000 0.216 259 G C -0.176 174.917 174.900 0.322 0.000 0.999 259 G CA 0.221 45.475 45.100 0.257 0.000 0.686 259 G HN 0.240 nan 8.290 nan 0.000 0.515 260 W N -1.009 120.372 121.300 0.136 0.000 3.518 260 W HA 0.848 5.727 4.660 0.365 0.000 0.331 260 W C -0.835 175.742 176.519 0.097 0.000 1.205 260 W CA -1.653 55.725 57.345 0.055 0.000 0.956 260 W CB 0.677 30.130 29.460 -0.012 0.000 1.645 260 W HN 0.123 nan 8.180 nan 0.000 0.615 261 L N 1.475 122.869 121.223 0.285 0.000 2.410 261 L HA 0.674 5.246 4.340 0.386 0.000 0.270 261 L C -0.379 176.661 176.870 0.284 0.000 0.983 261 L CA -0.993 53.919 54.840 0.119 0.000 0.822 261 L CB 1.789 43.822 42.059 -0.042 0.000 1.285 261 L HN 0.552 nan 8.230 nan 0.000 0.409 262 A N 2.727 125.643 122.820 0.161 0.000 2.285 262 A HA 0.801 5.353 4.320 0.386 0.000 0.310 262 A C -0.707 177.152 177.584 0.459 0.000 1.266 262 A CA -0.481 51.739 52.037 0.305 0.000 0.832 262 A CB 0.679 19.669 19.000 -0.017 0.000 1.163 262 A HN 0.598 nan 8.150 nan 0.000 0.499 263 E N 0.618 121.138 120.200 0.535 0.000 2.343 263 E HA 0.195 4.777 4.350 0.386 0.000 0.270 263 E C -0.998 175.871 176.600 0.449 0.000 0.895 263 E CA -0.583 56.136 56.400 0.532 0.000 0.767 263 E CB 1.494 31.556 29.700 0.603 0.000 1.248 263 E HN 0.780 nan 8.360 nan 0.000 0.440 264 H N 2.384 121.619 119.070 0.276 0.000 2.970 264 H HA 0.289 5.092 4.556 0.412 0.000 0.226 264 H C -0.651 174.769 175.328 0.153 0.000 1.909 264 H CA -0.003 56.135 56.048 0.151 0.000 1.388 264 H CB -0.135 29.701 29.762 0.123 0.000 1.773 264 H HN 0.186 nan 8.280 nan 0.000 0.559 265 M N 3.686 123.397 119.600 0.186 0.000 2.393 265 M HA 0.175 4.886 4.480 0.386 0.000 0.299 265 M C -0.777 175.551 176.300 0.047 0.000 1.103 265 M CA -1.339 53.998 55.300 0.061 0.000 0.910 265 M CB 2.582 35.264 32.600 0.136 0.000 1.659 265 M HN 0.258 nan 8.290 nan 0.000 0.445 266 L N 1.358 122.561 121.223 -0.033 0.000 2.464 266 L HA 0.652 5.224 4.340 0.386 0.000 0.264 266 L C -0.919 175.988 176.870 0.062 0.000 1.199 266 L CA 0.192 55.047 54.840 0.026 0.000 0.818 266 L CB 0.102 42.159 42.059 -0.003 0.000 1.102 266 L HN 0.565 nan 8.230 nan 0.000 0.473 267 I N 2.581 123.219 120.570 0.114 0.000 2.466 267 I HA 0.510 4.912 4.170 0.386 0.000 0.289 267 I C -0.851 175.378 176.117 0.187 0.000 1.026 267 I CA -0.704 60.688 61.300 0.154 0.000 1.078 267 I CB 1.808 39.908 38.000 0.167 0.000 1.249 267 I HN 0.688 nan 8.210 nan 0.000 0.429 268 L N 3.540 124.881 121.223 0.198 0.000 2.371 268 L HA 1.046 5.618 4.340 0.386 0.000 0.262 268 L C -0.257 176.710 176.870 0.161 0.000 1.006 268 L CA -0.442 54.504 54.840 0.178 0.000 0.818 268 L CB 1.767 43.895 42.059 0.116 0.000 1.354 268 L HN 0.513 nan 8.230 nan 0.000 0.415 269 G N 1.749 110.560 108.800 0.019 0.000 2.368 269 G HA2 0.667 4.858 3.960 0.386 0.000 0.320 269 G HA3 0.667 4.858 3.960 0.386 0.000 0.320 269 G C -1.342 173.480 174.900 -0.129 0.000 1.158 269 G CA -0.509 44.365 45.100 -0.377 0.000 0.912 269 G HN 0.908 nan 8.290 nan 0.000 0.456 270 I N 1.755 122.294 120.570 -0.052 0.000 2.465 270 I HA 0.579 4.981 4.170 0.386 0.000 0.291 270 I C -0.557 175.677 176.117 0.195 0.000 1.014 270 I CA -0.457 60.934 61.300 0.152 0.000 1.093 270 I CB 2.077 40.261 38.000 0.307 0.000 1.267 270 I HN 0.382 nan 8.210 nan 0.000 0.431 271 T N 6.728 121.341 114.554 0.097 0.000 2.807 271 T HA 0.340 4.922 4.350 0.386 0.000 0.279 271 T C -0.431 174.038 174.700 -0.384 0.000 0.993 271 T CA -0.671 61.394 62.100 -0.058 0.000 0.970 271 T CB 1.042 69.868 68.868 -0.070 0.000 0.950 271 T HN 0.775 nan 8.240 nan 0.000 0.441 272 N N 2.249 120.476 118.700 -0.789 0.000 2.478 272 N HA 0.378 5.350 4.740 0.386 0.000 0.275 272 N C -2.144 172.777 175.510 -0.982 0.000 1.221 272 N CA -2.112 49.973 53.050 -1.609 0.000 0.979 272 N CB 1.215 38.476 38.487 -2.044 0.000 1.202 272 N HN 0.098 nan 8.380 nan 0.000 0.564 273 P HA -0.059 nan 4.420 nan 0.000 0.231 273 P C 0.041 177.146 177.300 -0.325 0.000 1.158 273 P CA 0.964 63.756 63.100 -0.514 0.000 0.763 273 P CB 0.109 31.567 31.700 -0.403 0.000 0.805 274 E N -1.105 118.894 120.200 -0.336 0.000 2.463 274 E HA 0.188 4.769 4.350 0.386 0.000 0.193 274 E C 1.276 177.791 176.600 -0.142 0.000 1.041 274 E CA 0.287 56.575 56.400 -0.187 0.000 0.879 274 E CB -0.507 29.110 29.700 -0.138 0.000 0.997 274 E HN 0.167 nan 8.360 nan 0.000 0.478 275 G N 1.951 110.644 108.800 -0.179 0.000 2.176 275 G HA2 -0.303 3.888 3.960 0.386 0.000 0.252 275 G HA3 -0.303 3.888 3.960 0.386 0.000 0.252 275 G C -0.008 174.859 174.900 -0.055 0.000 1.024 275 G CA 0.400 45.434 45.100 -0.110 0.000 0.755 275 G HN 0.132 nan 8.290 nan 0.000 0.507 276 K N -0.112 120.260 120.400 -0.047 0.000 2.182 276 K HA 0.680 5.232 4.320 0.386 0.000 0.262 276 K C 0.114 176.833 176.600 0.198 0.000 0.957 276 K CA -0.622 55.728 56.287 0.105 0.000 0.842 276 K CB 1.760 34.398 32.500 0.230 0.000 1.099 276 K HN 0.206 nan 8.250 nan 0.000 0.438 277 K N 2.192 122.692 120.400 0.167 0.000 2.324 277 K HA 0.417 4.968 4.320 0.386 0.000 0.253 277 K C -1.145 175.495 176.600 0.067 0.000 0.932 277 K CA -0.691 55.670 56.287 0.124 0.000 0.799 277 K CB 0.945 33.445 32.500 0.001 0.000 1.154 277 K HN 0.391 nan 8.250 nan 0.000 0.425 278 K N 2.622 123.037 120.400 0.025 0.000 2.426 278 K HA 0.312 4.864 4.320 0.386 0.000 0.251 278 K C -1.522 175.003 176.600 -0.124 0.000 0.941 278 K CA -0.852 55.389 56.287 -0.076 0.000 0.808 278 K CB 1.663 33.981 32.500 -0.303 0.000 1.265 278 K HN 0.380 nan 8.250 nan 0.000 0.432 279 Y N 1.733 122.064 120.300 0.051 0.000 2.342 279 Y HA 0.462 5.244 4.550 0.387 0.000 0.334 279 Y C -0.089 175.851 175.900 0.067 0.000 1.067 279 Y CA -0.717 57.426 58.100 0.072 0.000 1.128 279 Y CB 1.098 39.596 38.460 0.062 0.000 1.200 279 Y HN 0.182 nan 8.280 nan 0.000 0.464 280 L N 2.753 124.106 121.223 0.216 0.000 2.370 280 L HA 0.922 5.493 4.340 0.386 0.000 0.266 280 L C -0.512 176.441 176.870 0.137 0.000 1.002 280 L CA -1.230 53.704 54.840 0.158 0.000 0.818 280 L CB 2.058 44.194 42.059 0.130 0.000 1.325 280 L HN 0.669 nan 8.230 nan 0.000 0.418 281 A N 1.616 124.494 122.820 0.096 0.000 2.337 281 A HA 0.969 5.521 4.320 0.386 0.000 0.331 281 A C -0.817 176.732 177.584 -0.058 0.000 1.137 281 A CA -0.449 51.618 52.037 0.051 0.000 0.807 281 A CB 1.742 20.797 19.000 0.091 0.000 1.250 281 A HN 0.810 nan 8.150 nan 0.000 0.468 282 A N 0.400 123.124 122.820 -0.160 0.000 2.427 282 A HA 0.761 5.313 4.320 0.386 0.000 0.298 282 A C -0.408 176.857 177.584 -0.531 0.000 1.036 282 A CA 0.160 51.937 52.037 -0.435 0.000 0.701 282 A CB 1.201 19.823 19.000 -0.631 0.000 1.250 282 A HN 2.281 nan 8.150 nan 0.000 0.412 283 A N 2.163 124.715 122.820 -0.447 0.000 2.273 283 A HA 0.798 5.349 4.320 0.386 0.000 0.315 283 A C -1.243 176.237 177.584 -0.173 0.000 1.256 283 A CA -0.230 51.685 52.037 -0.203 0.000 0.851 283 A CB -0.078 19.056 19.000 0.224 0.000 1.172 283 A HN 0.676 nan 8.150 nan 0.000 0.508 284 F N 2.249 122.176 119.950 -0.038 0.000 2.532 284 F HA 0.609 5.369 4.527 0.389 0.000 0.321 284 F C -2.245 173.534 175.800 -0.034 0.000 1.089 284 F CA -2.774 55.206 58.000 -0.033 0.000 0.926 284 F CB 1.490 40.483 39.000 -0.011 0.000 1.168 284 F HN 0.311 nan 8.300 nan 0.000 0.459 285 P HA 0.142 nan 4.420 nan 0.000 0.274 285 P C -0.562 176.811 177.300 0.121 0.000 1.260 285 P CA -0.532 62.649 63.100 0.136 0.000 0.793 285 P CB 0.323 32.057 31.700 0.056 0.000 1.048 286 S N -0.181 115.584 115.700 0.108 0.000 2.558 286 S HA 0.305 5.006 4.470 0.386 0.000 0.288 286 S C 0.670 175.272 174.600 0.003 0.000 1.318 286 S CA 0.011 58.258 58.200 0.078 0.000 1.056 286 S CB -0.786 62.455 63.200 0.067 0.000 0.853 286 S HN 0.824 nan 8.310 nan 0.000 0.505 287 A N 0.952 123.770 122.820 -0.003 0.000 2.846 287 A HA -0.167 4.385 4.320 0.386 0.000 0.287 287 A C 0.848 178.353 177.584 -0.131 0.000 1.469 287 A CA 0.438 52.440 52.037 -0.060 0.000 0.757 287 A CB -2.510 16.432 19.000 -0.097 0.000 1.033 287 A HN 1.184 nan 8.150 nan 0.000 0.516 288 C N -1.083 118.202 119.300 -0.025 0.000 3.243 288 C HA 0.560 5.252 4.460 0.386 0.000 0.286 288 C C 1.908 177.035 174.990 0.228 0.000 1.373 288 C CA 0.334 59.348 59.018 -0.007 0.000 1.749 288 C CB -0.609 27.083 27.740 -0.080 0.000 2.313 288 C HN 2.445 nan 8.230 nan 0.000 0.644 289 G N 1.910 110.848 108.800 0.231 0.000 2.165 289 G HA2 -0.259 3.933 3.960 0.386 0.000 0.226 289 G HA3 -0.259 3.933 3.960 0.386 0.000 0.226 289 G C 0.834 175.935 174.900 0.334 0.000 1.035 289 G CA 0.618 45.877 45.100 0.265 0.000 0.744 289 G HN 0.527 nan 8.290 nan 0.000 0.501 290 K N -0.549 120.077 120.400 0.377 0.000 1.985 290 K HA -0.096 4.456 4.320 0.386 0.000 0.210 290 K C 2.614 179.337 176.600 0.205 0.000 1.047 290 K CA 2.092 58.623 56.287 0.408 0.000 0.932 290 K CB -0.298 32.355 32.500 0.256 0.000 0.716 290 K HN 0.324 nan 8.250 nan 0.000 0.439 291 T N 1.532 116.157 114.554 0.117 0.000 2.833 291 T HA -0.087 4.495 4.350 0.386 0.000 0.269 291 T C 1.459 176.177 174.700 0.031 0.000 1.054 291 T CA 1.361 63.481 62.100 0.034 0.000 1.135 291 T CB -0.321 68.551 68.868 0.007 0.000 0.869 291 T HN 0.284 nan 8.240 nan 0.000 0.466 292 N N 1.218 119.968 118.700 0.085 0.000 2.166 292 N HA -0.017 4.955 4.740 0.386 0.000 0.186 292 N C 1.671 177.223 175.510 0.069 0.000 1.019 292 N CA 0.584 53.678 53.050 0.074 0.000 0.856 292 N CB -0.594 37.960 38.487 0.113 0.000 0.993 292 N HN 0.240 nan 8.380 nan 0.000 0.426 293 L N 0.922 122.230 121.223 0.141 0.000 2.056 293 L HA 0.085 4.657 4.340 0.386 0.000 0.207 293 L C 2.008 178.937 176.870 0.099 0.000 1.078 293 L CA 1.307 56.240 54.840 0.156 0.000 0.749 293 L CB -0.870 41.407 42.059 0.364 0.000 0.901 293 L HN 0.120 nan 8.230 nan 0.000 0.433 294 A N -0.739 122.127 122.820 0.077 0.000 1.972 294 A HA -0.135 4.417 4.320 0.386 0.000 0.219 294 A C 1.941 179.521 177.584 -0.007 0.000 1.169 294 A CA 1.943 54.002 52.037 0.036 0.000 0.635 294 A CB -0.469 18.537 19.000 0.009 0.000 0.810 294 A HN 0.525 nan 8.150 nan 0.000 0.446 295 M N -0.138 119.438 119.600 -0.041 0.000 2.685 295 M HA 0.262 4.974 4.480 0.386 0.000 0.355 295 M C 0.234 176.511 176.300 -0.038 0.000 1.197 295 M CA -0.318 54.941 55.300 -0.068 0.000 0.947 295 M CB -0.045 32.470 32.600 -0.143 0.000 1.346 295 M HN 0.590 nan 8.290 nan 0.000 0.516 296 M N -0.239 119.354 119.600 -0.011 0.000 2.252 296 M HA 0.109 4.821 4.480 0.386 0.000 0.333 296 M C -0.245 176.045 176.300 -0.017 0.000 1.111 296 M CA 1.108 56.399 55.300 -0.015 0.000 1.140 296 M CB 0.303 32.893 32.600 -0.017 0.000 1.538 296 M HN 0.152 nan 8.290 nan 0.000 0.448 297 N N 4.845 123.528 118.700 -0.028 0.000 2.589 297 N HA 0.391 5.363 4.740 0.386 0.000 0.232 297 N C -2.519 172.975 175.510 -0.026 0.000 1.015 297 N CA -1.658 51.377 53.050 -0.026 0.000 0.931 297 N CB 0.867 39.329 38.487 -0.041 0.000 1.150 297 N HN 0.555 nan 8.380 nan 0.000 0.512 298 P HA 0.031 nan 4.420 nan 0.000 0.268 298 P C 0.776 178.066 177.300 -0.016 0.000 1.204 298 P CA -0.062 63.029 63.100 -0.016 0.000 0.768 298 P CB 1.017 32.741 31.700 0.039 0.000 0.842 299 T N -0.013 114.512 114.554 -0.049 0.000 3.043 299 T HA 0.078 4.659 4.350 0.386 0.000 0.263 299 T C 0.988 175.678 174.700 -0.016 0.000 1.094 299 T CA 0.175 62.249 62.100 -0.043 0.000 1.127 299 T CB -0.313 68.510 68.868 -0.075 0.000 0.905 299 T HN 0.208 nan 8.240 nan 0.000 0.490 300 L N 2.764 123.976 121.223 -0.018 0.000 2.360 300 L HA 0.348 4.920 4.340 0.386 0.000 0.276 300 L C -2.320 174.662 176.870 0.187 0.000 1.121 300 L CA -2.280 52.589 54.840 0.048 0.000 0.845 300 L CB 0.283 42.286 42.059 -0.093 0.000 1.143 300 L HN -0.002 nan 8.230 nan 0.000 0.452 301 P HA 0.093 nan 4.420 nan 0.000 0.268 301 P C 0.758 178.148 177.300 0.150 0.000 1.205 301 P CA 0.337 63.511 63.100 0.122 0.000 0.771 301 P CB 0.899 32.641 31.700 0.070 0.000 0.858 302 G N 0.235 109.067 108.800 0.053 0.000 2.179 302 G HA2 -0.225 3.967 3.960 0.386 0.000 0.260 302 G HA3 -0.225 3.967 3.960 0.386 0.000 0.260 302 G C -0.526 174.252 174.900 -0.203 0.000 0.977 302 G CA -0.520 44.531 45.100 -0.083 0.000 0.641 302 G HN 0.392 nan 8.290 nan 0.000 0.533 303 W N 0.498 121.757 121.300 -0.069 0.000 2.496 303 W HA 0.729 5.620 4.660 0.385 0.000 0.327 303 W C 0.473 176.958 176.519 -0.057 0.000 1.086 303 W CA -0.731 56.565 57.345 -0.081 0.000 1.222 303 W CB 1.298 30.710 29.460 -0.080 0.000 1.304 303 W HN 0.115 nan 8.180 nan 0.000 0.547 304 K N 1.911 122.411 120.400 0.166 0.000 2.427 304 K HA 0.682 5.234 4.320 0.386 0.000 0.252 304 K C -1.784 174.883 176.600 0.112 0.000 0.931 304 K CA -0.626 55.720 56.287 0.098 0.000 0.793 304 K CB 1.760 34.277 32.500 0.029 0.000 1.211 304 K HN 0.326 nan 8.250 nan 0.000 0.426 305 V N 3.361 123.325 119.914 0.083 0.000 2.495 305 V HA 0.429 4.781 4.120 0.386 0.000 0.298 305 V C -0.777 175.343 176.094 0.044 0.000 1.031 305 V CA -0.679 61.662 62.300 0.070 0.000 0.871 305 V CB 1.716 33.578 31.823 0.065 0.000 0.988 305 V HN 0.851 nan 8.190 nan 0.000 0.432 306 E N 1.808 122.034 120.200 0.044 0.000 2.288 306 E HA 0.473 5.055 4.350 0.386 0.000 0.268 306 E C -1.454 175.198 176.600 0.086 0.000 0.885 306 E CA -0.579 55.854 56.400 0.055 0.000 0.767 306 E CB 2.473 32.212 29.700 0.065 0.000 1.220 306 E HN 0.691 nan 8.360 nan 0.000 0.427 307 C N 2.965 122.317 119.300 0.086 0.000 2.273 307 C HA 0.363 5.055 4.460 0.386 0.000 0.328 307 C C 1.291 176.391 174.990 0.183 0.000 1.275 307 C CA -0.310 58.775 59.018 0.111 0.000 1.704 307 C CB -0.370 27.399 27.740 0.048 0.000 2.326 307 C HN 0.692 nan 8.230 nan 0.000 0.517 308 V N 5.256 125.317 119.914 0.246 0.000 2.492 308 V HA 0.382 4.734 4.120 0.386 0.000 0.241 308 V C 1.416 177.686 176.094 0.294 0.000 1.041 308 V CA 1.415 63.902 62.300 0.313 0.000 1.057 308 V CB -0.360 31.642 31.823 0.298 0.000 0.711 308 V HN 1.042 nan 8.190 nan 0.000 0.468 309 G N -0.087 108.864 108.800 0.252 0.000 2.677 309 G HA2 0.478 4.669 3.960 0.386 0.000 0.291 309 G HA3 0.478 4.669 3.960 0.386 0.000 0.291 309 G C -0.967 174.077 174.900 0.239 0.000 1.435 309 G CA 0.415 45.678 45.100 0.272 0.000 0.826 309 G HN 0.147 nan 8.290 nan 0.000 0.491 310 D N -1.290 119.282 120.400 0.287 0.000 2.469 310 D HA 0.192 5.063 4.640 0.386 0.000 0.215 310 D C 0.342 176.722 176.300 0.133 0.000 1.154 310 D CA 0.178 54.274 54.000 0.161 0.000 0.832 310 D CB 1.305 42.152 40.800 0.080 0.000 1.008 310 D HN 0.324 nan 8.370 nan 0.000 0.506 311 D N -0.800 119.688 120.400 0.147 0.000 2.315 311 D HA 0.171 5.043 4.640 0.386 0.000 0.272 311 D C -0.382 176.024 176.300 0.176 0.000 1.238 311 D CA 0.194 54.283 54.000 0.149 0.000 1.160 311 D CB 0.949 41.848 40.800 0.164 0.000 1.780 311 D HN -0.048 nan 8.370 nan 0.000 0.484 312 I N 1.701 122.348 120.570 0.128 0.000 2.509 312 I HA 0.720 5.122 4.170 0.386 0.000 0.293 312 I C -0.587 175.601 176.117 0.118 0.000 1.020 312 I CA -1.167 60.214 61.300 0.135 0.000 1.088 312 I CB 1.181 39.203 38.000 0.036 0.000 1.267 312 I HN 0.099 nan 8.210 nan 0.000 0.430 313 A N 5.822 128.786 122.820 0.239 0.000 2.356 313 A HA 0.743 5.295 4.320 0.386 0.000 0.310 313 A C -1.940 175.954 177.584 0.517 0.000 1.075 313 A CA -0.441 51.751 52.037 0.259 0.000 0.746 313 A CB 1.008 20.148 19.000 0.232 0.000 1.221 313 A HN 0.575 nan 8.150 nan 0.000 0.443 314 W N 2.374 123.773 121.300 0.166 0.000 2.417 314 W HA 0.692 5.517 4.660 0.275 0.000 0.315 314 W C -0.343 176.247 176.519 0.118 0.000 1.045 314 W CA -1.059 56.430 57.345 0.239 0.000 1.221 314 W CB 1.099 30.650 29.460 0.151 0.000 1.309 314 W HN 0.522 nan 8.180 nan 0.000 0.453 315 M N 3.552 123.378 119.600 0.377 0.000 2.393 315 M HA 0.467 5.179 4.480 0.386 0.000 0.299 315 M C -0.517 175.835 176.300 0.086 0.000 1.103 315 M CA -0.877 54.498 55.300 0.126 0.000 0.910 315 M CB 3.156 35.778 32.600 0.036 0.000 1.659 315 M HN 0.248 nan 8.290 nan 0.000 0.445 316 K N 2.503 122.866 120.400 -0.062 0.000 2.553 316 K HA 0.490 5.042 4.320 0.386 0.000 0.250 316 K C -1.761 174.766 176.600 -0.121 0.000 0.953 316 K CA -0.512 55.756 56.287 -0.031 0.000 0.800 316 K CB 1.771 34.256 32.500 -0.025 0.000 1.243 316 K HN 0.520 nan 8.250 nan 0.000 0.435 317 F N 3.926 123.867 119.950 -0.015 0.000 2.571 317 F HA -0.003 4.757 4.527 0.389 0.000 0.384 317 F C 1.177 176.954 175.800 -0.038 0.000 1.058 317 F CA 0.387 58.359 58.000 -0.047 0.000 1.200 317 F CB 0.294 39.244 39.000 -0.083 0.000 1.077 317 F HN 0.586 nan 8.300 nan 0.000 0.558 318 D N 2.235 122.711 120.400 0.125 0.000 2.478 318 D HA 0.325 5.196 4.640 0.386 0.000 0.269 318 D C 1.116 177.449 176.300 0.056 0.000 1.232 318 D CA -0.268 53.767 54.000 0.058 0.000 1.059 318 D CB 0.277 41.085 40.800 0.013 0.000 1.104 318 D HN 0.433 nan 8.370 nan 0.000 0.566 319 A N -0.756 122.078 122.820 0.023 0.000 2.024 319 A HA -0.206 4.346 4.320 0.386 0.000 0.220 319 A C 1.843 179.431 177.584 0.006 0.000 1.164 319 A CA 1.317 53.360 52.037 0.010 0.000 0.643 319 A CB -0.622 18.378 19.000 0.000 0.000 0.806 319 A HN 0.488 nan 8.150 nan 0.000 0.451 320 Q N -1.795 118.014 119.800 0.014 0.000 2.425 320 Q HA 0.179 4.751 4.340 0.386 0.000 0.204 320 Q C 1.338 177.348 176.000 0.018 0.000 0.933 320 Q CA 0.871 56.679 55.803 0.010 0.000 0.939 320 Q CB 0.072 28.816 28.738 0.009 0.000 1.044 320 Q HN 1.032 nan 8.270 nan 0.000 0.513 321 G N 1.302 110.130 108.800 0.048 0.000 2.175 321 G HA2 -0.246 3.945 3.960 0.386 0.000 0.244 321 G HA3 -0.246 3.945 3.960 0.386 0.000 0.244 321 G C -0.131 174.900 174.900 0.219 0.000 0.982 321 G CA 0.013 45.157 45.100 0.072 0.000 0.641 321 G HN 0.433 nan 8.290 nan 0.000 0.527 322 N N 0.111 118.901 118.700 0.150 0.000 2.520 322 N HA 0.492 5.464 4.740 0.386 0.000 0.273 322 N C -0.091 175.450 175.510 0.052 0.000 1.155 322 N CA -0.510 52.607 53.050 0.110 0.000 0.967 322 N CB 1.443 39.950 38.487 0.035 0.000 1.092 322 N HN 0.196 nan 8.380 nan 0.000 0.457 323 L N 3.089 124.245 121.223 -0.112 0.000 2.385 323 L HA 0.182 4.754 4.340 0.386 0.000 0.285 323 L C -0.262 176.464 176.870 -0.240 0.000 1.125 323 L CA -0.046 54.504 54.840 -0.484 0.000 0.890 323 L CB -0.453 41.164 42.059 -0.737 0.000 1.251 323 L HN 0.391 nan 8.230 nan 0.000 0.445 324 R N 4.320 124.708 120.500 -0.186 0.000 2.265 324 R HA 0.677 5.249 4.340 0.386 0.000 0.314 324 R C -0.537 175.698 176.300 -0.108 0.000 1.053 324 R CA -0.259 55.764 56.100 -0.128 0.000 0.931 324 R CB 1.298 31.537 30.300 -0.102 0.000 1.024 324 R HN 0.687 nan 8.270 nan 0.000 0.457 325 A N 4.404 127.168 122.820 -0.092 0.000 2.355 325 A HA 0.663 5.214 4.320 0.386 0.000 0.317 325 A C -0.142 177.417 177.584 -0.041 0.000 1.094 325 A CA -0.879 51.142 52.037 -0.028 0.000 0.764 325 A CB 0.941 19.945 19.000 0.007 0.000 1.230 325 A HN 0.781 nan 8.150 nan 0.000 0.448 326 I N -0.433 120.138 120.570 0.002 0.000 2.603 326 I HA 0.594 4.996 4.170 0.386 0.000 0.300 326 I C -0.280 175.815 176.117 -0.036 0.000 1.017 326 I CA -0.984 60.292 61.300 -0.040 0.000 1.098 326 I CB 1.998 39.948 38.000 -0.084 0.000 1.279 326 I HN 0.500 nan 8.210 nan 0.000 0.437 327 N N 6.177 124.856 118.700 -0.036 0.000 2.401 327 N HA 0.328 5.299 4.740 0.386 0.000 0.255 327 N C -1.774 173.606 175.510 -0.216 0.000 1.110 327 N CA -2.449 50.569 53.050 -0.054 0.000 0.949 327 N CB 0.875 39.424 38.487 0.103 0.000 1.110 327 N HN 0.468 nan 8.380 nan 0.000 0.490 328 P HA 0.024 nan 4.420 nan 0.000 0.245 328 P C -0.517 176.510 177.300 -0.456 0.000 1.212 328 P CA 0.674 63.340 63.100 -0.723 0.000 0.774 328 P CB 0.442 31.135 31.700 -1.678 0.000 0.999 329 E N -0.098 119.940 120.200 -0.269 0.000 2.254 329 E HA 0.229 4.811 4.350 0.386 0.000 0.261 329 E C 0.301 176.866 176.600 -0.060 0.000 1.051 329 E CA -0.578 55.717 56.400 -0.175 0.000 0.902 329 E CB 0.920 30.534 29.700 -0.144 0.000 1.168 329 E HN -0.013 nan 8.360 nan 0.000 0.423 330 N N -0.393 118.262 118.700 -0.076 0.000 2.171 330 N HA 0.126 5.098 4.740 0.386 0.000 0.212 330 N C -0.318 175.101 175.510 -0.151 0.000 1.184 330 N CA -0.063 52.997 53.050 0.016 0.000 0.888 330 N CB 0.808 39.279 38.487 -0.026 0.000 1.038 330 N HN 0.472 nan 8.380 nan 0.000 0.517 331 G N -0.116 108.505 108.800 -0.298 0.000 2.645 331 G HA2 0.503 4.695 3.960 0.386 0.000 0.292 331 G HA3 0.503 4.695 3.960 0.386 0.000 0.292 331 G C -1.931 172.676 174.900 -0.488 0.000 1.415 331 G CA -0.536 44.286 45.100 -0.464 0.000 0.785 331 G HN 0.031 nan 8.290 nan 0.000 0.483 332 F N 0.075 120.047 119.950 0.038 0.000 2.444 332 F HA 0.562 5.319 4.527 0.383 0.000 0.342 332 F C -0.534 175.336 175.800 0.116 0.000 1.121 332 F CA -1.211 56.843 58.000 0.089 0.000 0.997 332 F CB 2.042 41.138 39.000 0.159 0.000 1.130 332 F HN 0.268 nan 8.300 nan 0.000 0.454 333 F N 3.191 123.158 119.950 0.028 0.000 2.334 333 F HA 0.661 5.427 4.527 0.397 0.000 0.343 333 F C 0.337 175.935 175.800 -0.338 0.000 1.136 333 F CA -1.039 56.869 58.000 -0.154 0.000 1.237 333 F CB 0.040 38.973 39.000 -0.112 0.000 1.525 333 F HN 0.473 nan 8.300 nan 0.000 0.528 334 G N 2.544 110.710 108.800 -1.056 0.000 2.389 334 G HA2 0.456 4.648 3.960 0.386 0.000 0.317 334 G HA3 0.456 4.648 3.960 0.386 0.000 0.317 334 G C -0.920 173.203 174.900 -1.296 0.000 1.137 334 G CA -0.656 43.684 45.100 -1.266 0.000 0.870 334 G HN 0.241 nan 8.290 nan 0.000 0.496 335 V N 2.097 121.590 119.914 -0.701 0.000 2.493 335 V HA 0.179 4.531 4.120 0.386 0.000 0.292 335 V C 1.538 177.316 176.094 -0.527 0.000 1.016 335 V CA 0.721 62.714 62.300 -0.511 0.000 1.097 335 V CB 0.548 32.203 31.823 -0.280 0.000 0.947 335 V HN 0.983 nan 8.190 nan 0.000 0.479 336 A N 8.139 130.617 122.820 -0.570 0.000 1.854 336 A HA 0.127 4.679 4.320 0.386 0.000 0.214 336 A C -1.256 175.667 177.584 -1.101 0.000 1.192 336 A CA 0.720 52.259 52.037 -0.830 0.000 0.611 336 A CB -1.122 17.366 19.000 -0.854 0.000 0.832 336 A HN 0.718 nan 8.150 nan 0.000 0.442 337 P HA 0.298 nan 4.420 nan 0.000 0.265 337 P C 0.766 177.947 177.300 -0.199 0.000 1.193 337 P CA 1.678 64.559 63.100 -0.364 0.000 0.765 337 P CB 0.598 32.203 31.700 -0.157 0.000 0.823 338 G N 1.486 110.286 108.800 -0.001 0.000 2.195 338 G HA2 -0.206 3.985 3.960 0.386 0.000 0.246 338 G HA3 -0.206 3.985 3.960 0.386 0.000 0.246 338 G C 0.173 175.125 174.900 0.087 0.000 0.984 338 G CA -0.029 45.104 45.100 0.056 0.000 0.633 338 G HN 0.585 nan 8.290 nan 0.000 0.525 339 T N 1.959 116.562 114.554 0.082 0.000 2.737 339 T HA 0.590 5.172 4.350 0.386 0.000 0.296 339 T C 0.434 175.324 174.700 0.317 0.000 0.922 339 T CA 0.691 62.889 62.100 0.163 0.000 1.079 339 T CB 1.322 70.248 68.868 0.096 0.000 0.892 339 T HN 1.302 nan 8.240 nan 0.000 0.514 340 S N 1.770 117.544 115.700 0.123 0.000 2.697 340 S HA 0.466 5.168 4.470 0.386 0.000 0.289 340 S C 1.063 175.642 174.600 -0.035 0.000 1.149 340 S CA -0.873 57.355 58.200 0.045 0.000 0.850 340 S CB 0.979 64.174 63.200 -0.009 0.000 1.151 340 S HN 0.185 nan 8.310 nan 0.000 0.491 341 V N 1.800 121.675 119.914 -0.065 0.000 2.594 341 V HA -0.130 4.222 4.120 0.386 0.000 0.253 341 V C 2.380 178.387 176.094 -0.145 0.000 1.069 341 V CA 1.995 64.241 62.300 -0.090 0.000 1.082 341 V CB -1.062 30.714 31.823 -0.078 0.000 0.680 341 V HN 0.819 nan 8.190 nan 0.000 0.469 342 K N 0.470 120.750 120.400 -0.200 0.000 2.021 342 K HA -0.104 4.448 4.320 0.386 0.000 0.205 342 K C 2.347 178.640 176.600 -0.512 0.000 1.047 342 K CA 1.805 57.879 56.287 -0.354 0.000 0.943 342 K CB -0.551 31.709 32.500 -0.400 0.000 0.725 342 K HN 0.650 nan 8.250 nan 0.000 0.439 343 T N -1.120 113.186 114.554 -0.414 0.000 2.857 343 T HA -0.056 4.526 4.350 0.386 0.000 0.266 343 T C 0.961 175.603 174.700 -0.095 0.000 1.048 343 T CA 0.837 62.766 62.100 -0.285 0.000 1.139 343 T CB 0.044 68.894 68.868 -0.031 0.000 0.874 343 T HN -0.051 nan 8.240 nan 0.000 0.455 344 N N 1.224 119.872 118.700 -0.087 0.000 2.751 344 N HA 0.275 5.247 4.740 0.386 0.000 0.234 344 N C -2.528 172.935 175.510 -0.078 0.000 1.403 344 N CA -1.580 51.433 53.050 -0.062 0.000 0.747 344 N CB 1.764 40.233 38.487 -0.029 0.000 1.326 344 N HN 0.065 nan 8.380 nan 0.000 0.532 345 P HA -0.074 nan 4.420 nan 0.000 0.217 345 P C 0.843 178.094 177.300 -0.081 0.000 1.150 345 P CA 1.034 64.085 63.100 -0.081 0.000 0.832 345 P CB 0.627 32.279 31.700 -0.080 0.000 0.787 346 N N 0.389 119.038 118.700 -0.086 0.000 2.188 346 N HA -0.097 4.874 4.740 0.386 0.000 0.184 346 N C 1.948 177.378 175.510 -0.133 0.000 1.018 346 N CA 1.500 54.493 53.050 -0.095 0.000 0.858 346 N CB -0.896 37.536 38.487 -0.091 0.000 0.989 346 N HN 0.113 nan 8.380 nan 0.000 0.426 347 A N 1.728 124.451 122.820 -0.162 0.000 1.902 347 A HA -0.099 4.453 4.320 0.386 0.000 0.217 347 A C 2.121 179.555 177.584 -0.251 0.000 1.181 347 A CA 0.885 52.773 52.037 -0.248 0.000 0.623 347 A CB -0.425 18.434 19.000 -0.235 0.000 0.818 347 A HN 0.091 nan 8.150 nan 0.000 0.443 348 I N -0.122 120.359 120.570 -0.149 0.000 2.163 348 I HA -0.240 4.161 4.170 0.386 0.000 0.243 348 I C 2.248 178.300 176.117 -0.109 0.000 1.085 348 I CA 1.891 63.129 61.300 -0.104 0.000 1.347 348 I CB -1.290 36.675 38.000 -0.059 0.000 1.044 348 I HN 0.283 nan 8.210 nan 0.000 0.408 349 K N 0.244 120.587 120.400 -0.094 0.000 2.097 349 K HA -0.116 4.436 4.320 0.386 0.000 0.206 349 K C 2.053 178.607 176.600 -0.076 0.000 1.049 349 K CA 1.662 57.907 56.287 -0.072 0.000 0.933 349 K CB -0.341 32.126 32.500 -0.055 0.000 0.717 349 K HN 0.308 nan 8.250 nan 0.000 0.442 350 T N 1.397 115.888 114.554 -0.105 0.000 2.777 350 T HA -0.080 4.502 4.350 0.386 0.000 0.266 350 T C 1.682 176.323 174.700 -0.099 0.000 1.040 350 T CA 1.440 63.489 62.100 -0.085 0.000 1.141 350 T CB -0.237 68.583 68.868 -0.079 0.000 0.868 350 T HN 0.396 nan 8.240 nan 0.000 0.444 351 I N -0.719 119.747 120.570 -0.173 0.000 3.735 351 I HA 0.228 4.630 4.170 0.386 0.000 0.310 351 I C 1.511 177.587 176.117 -0.068 0.000 1.270 351 I CA 0.377 61.576 61.300 -0.169 0.000 1.207 351 I CB -0.399 37.415 38.000 -0.310 0.000 1.013 351 I HN 0.094 nan 8.210 nan 0.000 0.452 352 Q N 1.761 121.495 119.800 -0.110 0.000 2.320 352 Q HA 0.223 4.795 4.340 0.386 0.000 0.201 352 Q C 0.059 176.054 176.000 -0.008 0.000 0.910 352 Q CA 0.227 55.923 55.803 -0.178 0.000 0.946 352 Q CB 0.425 29.077 28.738 -0.144 0.000 1.062 352 Q HN 0.469 nan 8.270 nan 0.000 0.503 353 K N 0.469 120.888 120.400 0.032 0.000 2.525 353 K HA 0.161 4.713 4.320 0.386 0.000 0.254 353 K C -0.965 175.698 176.600 0.105 0.000 0.934 353 K CA -0.563 55.774 56.287 0.084 0.000 0.802 353 K CB 1.018 33.556 32.500 0.064 0.000 1.295 353 K HN -0.087 nan 8.250 nan 0.000 0.433 354 N N 1.273 120.073 118.700 0.167 0.000 2.721 354 N HA -0.142 4.829 4.740 0.386 0.000 0.249 354 N C -1.383 174.247 175.510 0.201 0.000 1.072 354 N CA 1.432 54.615 53.050 0.222 0.000 0.710 354 N CB -1.153 37.439 38.487 0.174 0.000 0.993 354 N HN 0.620 nan 8.380 nan 0.000 0.547 355 T N 0.660 115.327 114.554 0.189 0.000 2.841 355 T HA 0.656 5.238 4.350 0.386 0.000 0.283 355 T C 0.678 175.440 174.700 0.103 0.000 1.000 355 T CA -0.495 61.629 62.100 0.039 0.000 0.977 355 T CB 1.925 70.685 68.868 -0.181 0.000 0.979 355 T HN 0.059 nan 8.240 nan 0.000 0.446 356 I N 3.141 123.731 120.570 0.034 0.000 2.354 356 I HA 0.446 4.848 4.170 0.386 0.000 0.292 356 I C -0.839 175.280 176.117 0.004 0.000 0.989 356 I CA -0.673 60.726 61.300 0.165 0.000 1.188 356 I CB 0.930 39.023 38.000 0.156 0.000 1.342 356 I HN 0.489 nan 8.210 nan 0.000 0.457 357 F N 3.264 123.398 119.950 0.307 0.000 2.450 357 F HA 0.509 5.270 4.527 0.390 0.000 0.332 357 F C 0.416 176.372 175.800 0.260 0.000 1.093 357 F CA -0.436 57.727 58.000 0.271 0.000 1.003 357 F CB 2.038 41.214 39.000 0.294 0.000 1.151 357 F HN 0.249 nan 8.300 nan 0.000 0.474 358 T N 2.802 117.572 114.554 0.359 0.000 2.881 358 T HA 0.249 4.831 4.350 0.386 0.000 0.291 358 T C -0.425 174.385 174.700 0.184 0.000 0.990 358 T CA -0.867 61.379 62.100 0.243 0.000 0.976 358 T CB 0.942 69.907 68.868 0.162 0.000 0.970 358 T HN 0.608 nan 8.240 nan 0.000 0.438 359 N N 0.252 119.066 118.700 0.189 0.000 2.741 359 N HA -0.139 4.833 4.740 0.386 0.000 0.250 359 N C 0.128 175.750 175.510 0.187 0.000 1.115 359 N CA 1.123 54.291 53.050 0.197 0.000 0.724 359 N CB -1.779 36.698 38.487 -0.018 0.000 1.090 359 N HN 0.699 nan 8.380 nan 0.000 0.558 360 V N -3.241 116.829 119.914 0.260 0.000 3.109 360 V HA 0.920 5.272 4.120 0.386 0.000 0.317 360 V C 0.928 177.173 176.094 0.253 0.000 1.074 360 V CA -0.561 61.909 62.300 0.283 0.000 1.033 360 V CB 1.680 33.762 31.823 0.432 0.000 1.111 360 V HN 0.276 nan 8.190 nan 0.000 0.458 361 A N 0.985 123.923 122.820 0.196 0.000 2.322 361 A HA 0.581 5.133 4.320 0.386 0.000 0.269 361 A C 0.060 177.696 177.584 0.087 0.000 1.094 361 A CA -0.389 51.718 52.037 0.116 0.000 0.807 361 A CB 0.410 19.427 19.000 0.028 0.000 1.047 361 A HN 1.041 nan 8.150 nan 0.000 0.487 362 E N 0.701 120.934 120.200 0.055 0.000 2.176 362 E HA 0.431 5.013 4.350 0.386 0.000 0.267 362 E C -0.206 176.384 176.600 -0.017 0.000 0.893 362 E CA -0.536 55.875 56.400 0.018 0.000 0.761 362 E CB 1.103 30.821 29.700 0.030 0.000 1.133 362 E HN 0.787 nan 8.360 nan 0.000 0.409 363 T N 0.862 115.383 114.554 -0.054 0.000 2.882 363 T HA 0.077 4.659 4.350 0.386 0.000 0.287 363 T C 1.363 176.014 174.700 -0.083 0.000 1.014 363 T CA -0.072 61.973 62.100 -0.092 0.000 1.049 363 T CB 1.436 70.227 68.868 -0.128 0.000 1.001 363 T HN 0.440 nan 8.240 nan 0.000 0.525 364 S N 0.287 115.940 115.700 -0.079 0.000 2.469 364 S HA -0.132 4.569 4.470 0.386 0.000 0.238 364 S C 1.128 175.680 174.600 -0.081 0.000 0.998 364 S CA 0.817 58.977 58.200 -0.066 0.000 0.957 364 S CB -0.632 62.534 63.200 -0.056 0.000 0.764 364 S HN 0.918 nan 8.310 nan 0.000 0.514 365 D N 0.453 120.790 120.400 -0.105 0.000 2.336 365 D HA 0.285 5.157 4.640 0.386 0.000 0.228 365 D C 1.177 177.371 176.300 -0.176 0.000 1.120 365 D CA 0.290 54.214 54.000 -0.126 0.000 0.839 365 D CB -0.668 40.056 40.800 -0.127 0.000 0.932 365 D HN 0.520 nan 8.370 nan 0.000 0.509 366 G N -0.812 107.890 108.800 -0.162 0.000 2.149 366 G HA2 -0.102 4.089 3.960 0.386 0.000 0.235 366 G HA3 -0.102 4.089 3.960 0.386 0.000 0.235 366 G C 0.511 175.231 174.900 -0.300 0.000 1.018 366 G CA -0.083 44.902 45.100 -0.192 0.000 0.728 366 G HN 0.796 nan 8.290 nan 0.000 0.508 367 G N -1.605 107.032 108.800 -0.272 0.000 2.613 367 G HA2 0.908 5.100 3.960 0.386 0.000 0.303 367 G HA3 0.908 5.100 3.960 0.386 0.000 0.303 367 G C 0.131 175.003 174.900 -0.048 0.000 1.312 367 G CA 0.097 45.041 45.100 -0.260 0.000 1.036 367 G HN 1.547 nan 8.290 nan 0.000 0.513 368 V N -2.858 117.064 119.914 0.014 0.000 2.769 368 V HA 0.833 5.185 4.120 0.386 0.000 0.312 368 V C -1.226 174.724 176.094 -0.240 0.000 1.058 368 V CA -1.171 61.027 62.300 -0.171 0.000 0.952 368 V CB 1.508 33.050 31.823 -0.468 0.000 1.019 368 V HN 0.676 nan 8.190 nan 0.000 0.445 369 Y N 3.164 123.236 120.300 -0.380 0.000 2.544 369 Y HA 0.804 5.587 4.550 0.387 0.000 0.342 369 Y C -1.218 174.540 175.900 -0.237 0.000 1.062 369 Y CA -0.896 56.917 58.100 -0.479 0.000 1.023 369 Y CB 2.229 40.532 38.460 -0.262 0.000 1.308 369 Y HN 1.082 nan 8.280 nan 0.000 0.457 370 W N 1.300 122.403 121.300 -0.328 0.000 3.005 370 W HA 0.657 5.553 4.660 0.392 0.000 0.343 370 W C -1.443 174.902 176.519 -0.290 0.000 1.243 370 W CA -1.152 56.054 57.345 -0.232 0.000 1.186 370 W CB 0.257 29.634 29.460 -0.138 0.000 1.453 370 W HN 0.322 nan 8.180 nan 0.000 0.575 371 E N 0.853 121.136 120.200 0.137 0.000 2.452 371 E HA 0.393 4.975 4.350 0.386 0.000 0.261 371 E C 1.150 177.859 176.600 0.181 0.000 0.987 371 E CA 2.148 58.610 56.400 0.104 0.000 0.926 371 E CB 0.350 30.099 29.700 0.082 0.000 0.934 371 E HN 1.106 nan 8.360 nan 0.000 0.452 372 G N 2.890 111.751 108.800 0.103 0.000 2.179 372 G HA2 -0.353 3.839 3.960 0.386 0.000 0.260 372 G HA3 -0.353 3.839 3.960 0.386 0.000 0.260 372 G C 0.945 175.911 174.900 0.110 0.000 0.977 372 G CA 0.333 45.501 45.100 0.114 0.000 0.641 372 G HN 0.621 nan 8.290 nan 0.000 0.533 373 I N 0.329 120.888 120.570 -0.019 0.000 2.454 373 I HA 0.013 4.415 4.170 0.386 0.000 0.254 373 I C 1.215 177.232 176.117 -0.167 0.000 1.156 373 I CA 1.842 63.005 61.300 -0.228 0.000 1.433 373 I CB -0.099 37.297 38.000 -1.008 0.000 1.082 373 I HN 0.292 nan 8.210 nan 0.000 0.432 374 D N 1.560 121.887 120.400 -0.122 0.000 2.772 374 D HA -0.227 4.645 4.640 0.386 0.000 0.233 374 D C -0.365 175.901 176.300 -0.057 0.000 1.143 374 D CA 1.192 55.157 54.000 -0.058 0.000 0.700 374 D CB -0.600 40.174 40.800 -0.043 0.000 1.076 374 D HN 0.820 nan 8.370 nan 0.000 0.430 375 E N -1.309 118.855 120.200 -0.060 0.000 2.304 375 E HA 0.562 5.144 4.350 0.386 0.000 0.277 375 E C -2.904 173.746 176.600 0.083 0.000 0.898 375 E CA -1.763 54.633 56.400 -0.007 0.000 0.764 375 E CB 1.865 31.544 29.700 -0.035 0.000 1.216 375 E HN -0.111 nan 8.360 nan 0.000 0.419 376 P HA 0.190 nan 4.420 nan 0.000 0.274 376 P C -0.608 176.728 177.300 0.060 0.000 1.237 376 P CA -0.408 62.740 63.100 0.080 0.000 0.793 376 P CB 0.986 32.707 31.700 0.036 0.000 0.977 377 L N 0.999 122.230 121.223 0.014 0.000 2.309 377 L HA 0.520 5.092 4.340 0.386 0.000 0.282 377 L C 0.856 177.700 176.870 -0.043 0.000 1.036 377 L CA -1.179 53.633 54.840 -0.046 0.000 0.806 377 L CB 1.349 43.316 42.059 -0.153 0.000 1.220 377 L HN 0.438 nan 8.230 nan 0.000 0.429 378 A N 4.682 127.476 122.820 -0.042 0.000 2.498 378 A HA 0.363 4.914 4.320 0.386 0.000 0.239 378 A C -2.120 175.437 177.584 -0.045 0.000 1.068 378 A CA -0.941 51.073 52.037 -0.038 0.000 0.766 378 A CB -0.656 18.322 19.000 -0.037 0.000 1.003 378 A HN 0.475 nan 8.150 nan 0.000 0.497 379 P HA 0.181 nan 4.420 nan 0.000 0.262 379 P C 1.003 178.278 177.300 -0.042 0.000 1.182 379 P CA 1.516 64.593 63.100 -0.039 0.000 0.761 379 P CB 0.655 32.337 31.700 -0.031 0.000 0.795 380 G N 1.800 110.573 108.800 -0.046 0.000 2.424 380 G HA2 -0.224 3.968 3.960 0.386 0.000 0.207 380 G HA3 -0.224 3.968 3.960 0.386 0.000 0.207 380 G C -0.089 174.777 174.900 -0.055 0.000 1.061 380 G CA -0.138 44.935 45.100 -0.046 0.000 0.657 380 G HN 0.544 nan 8.290 nan 0.000 0.508 381 V N 3.928 123.801 119.914 -0.067 0.000 2.425 381 V HA 0.455 4.807 4.120 0.386 0.000 0.276 381 V C 1.201 177.237 176.094 -0.096 0.000 1.017 381 V CA 0.943 63.191 62.300 -0.086 0.000 1.062 381 V CB 0.241 32.003 31.823 -0.101 0.000 0.997 381 V HN 0.906 nan 8.190 nan 0.000 0.476 382 T N 3.574 118.080 114.554 -0.079 0.000 2.936 382 T HA 0.809 5.390 4.350 0.386 0.000 0.282 382 T C -0.507 174.158 174.700 -0.059 0.000 1.003 382 T CA -0.808 61.256 62.100 -0.060 0.000 1.005 382 T CB 1.849 70.697 68.868 -0.033 0.000 1.097 382 T HN 0.283 nan 8.240 nan 0.000 0.532 383 I N 0.988 121.557 120.570 -0.002 0.000 2.465 383 I HA 0.340 4.741 4.170 0.386 0.000 0.291 383 I C -0.167 176.012 176.117 0.103 0.000 1.014 383 I CA -0.780 60.542 61.300 0.036 0.000 1.093 383 I CB 2.358 40.423 38.000 0.109 0.000 1.267 383 I HN 0.672 nan 8.210 nan 0.000 0.431 384 T N 4.351 118.943 114.554 0.064 0.000 2.744 384 T HA 0.262 4.844 4.350 0.386 0.000 0.291 384 T C 0.338 175.079 174.700 0.069 0.000 0.957 384 T CA -0.590 61.554 62.100 0.074 0.000 1.002 384 T CB 1.037 69.929 68.868 0.041 0.000 0.919 384 T HN 0.748 nan 8.240 nan 0.000 0.468 385 S N 3.936 119.683 115.700 0.079 0.000 2.606 385 S HA 0.075 4.777 4.470 0.386 0.000 0.257 385 S C 1.548 176.177 174.600 0.048 0.000 1.327 385 S CA -0.842 57.362 58.200 0.008 0.000 0.984 385 S CB 0.303 63.501 63.200 -0.003 0.000 0.941 385 S HN 0.917 nan 8.310 nan 0.000 0.576 386 W N 0.557 121.833 121.300 -0.041 0.000 2.611 386 W HA 0.109 5.002 4.660 0.389 0.000 0.251 386 W C 0.381 176.903 176.519 0.005 0.000 1.265 386 W CA 0.439 57.784 57.345 0.000 0.000 1.295 386 W CB -0.745 28.724 29.460 0.015 0.000 1.129 386 W HN 0.595 nan 8.180 nan 0.000 0.630 387 K N 1.350 121.307 120.400 -0.738 0.000 2.446 387 K HA -0.029 4.523 4.320 0.386 0.000 0.203 387 K C 0.456 176.876 176.600 -0.299 0.000 1.027 387 K CA 0.000 55.850 56.287 -0.729 0.000 1.166 387 K CB -0.714 31.304 32.500 -0.803 0.000 0.869 387 K HN 0.174 nan 8.250 nan 0.000 0.504 388 N N 1.958 120.563 118.700 -0.157 0.000 2.740 388 N HA -0.189 4.783 4.740 0.386 0.000 0.248 388 N C -1.315 174.170 175.510 -0.041 0.000 1.062 388 N CA 0.716 53.730 53.050 -0.061 0.000 0.704 388 N CB -0.323 38.136 38.487 -0.046 0.000 0.968 388 N HN 0.270 nan 8.380 nan 0.000 0.547 389 K N 0.529 120.914 120.400 -0.025 0.000 2.385 389 K HA 0.260 4.811 4.320 0.386 0.000 0.248 389 K C -0.454 176.195 176.600 0.081 0.000 0.955 389 K CA -0.780 55.517 56.287 0.017 0.000 0.816 389 K CB 1.704 34.211 32.500 0.012 0.000 1.250 389 K HN 0.120 nan 8.250 nan 0.000 0.434 390 E N 1.150 121.393 120.200 0.073 0.000 2.452 390 E HA -0.018 4.564 4.350 0.386 0.000 0.261 390 E C -1.582 175.125 176.600 0.178 0.000 0.987 390 E CA 0.428 56.886 56.400 0.096 0.000 0.926 390 E CB 0.460 30.183 29.700 0.039 0.000 0.934 390 E HN 0.390 nan 8.360 nan 0.000 0.452 391 W N 4.078 125.370 121.300 -0.013 0.000 2.998 391 W HA 0.477 5.370 4.660 0.389 0.000 0.335 391 W C -0.995 175.517 176.519 -0.012 0.000 1.110 391 W CA -0.699 56.648 57.345 0.003 0.000 1.230 391 W CB 1.290 30.771 29.460 0.036 0.000 1.405 391 W HN 0.486 nan 8.180 nan 0.000 0.493 392 R N 5.256 125.341 120.500 -0.692 0.000 2.740 392 R HA 0.353 4.924 4.340 0.386 0.000 0.282 392 R C -1.759 173.839 176.300 -1.169 0.000 0.969 392 R CA -1.746 53.986 56.100 -0.613 0.000 0.918 392 R CB 2.181 32.258 30.300 -0.372 0.000 1.175 392 R HN 0.213 nan 8.270 nan 0.000 0.464 393 P HA -0.185 nan 4.420 nan 0.000 0.234 393 P C 0.064 177.193 177.300 -0.285 0.000 1.162 393 P CA 1.219 64.128 63.100 -0.318 0.000 0.759 393 P CB 0.381 32.092 31.700 0.017 0.000 0.813 394 Q N -1.136 118.442 119.800 -0.369 0.000 2.157 394 Q HA 0.198 4.770 4.340 0.386 0.000 0.229 394 Q C -0.634 175.208 176.000 -0.262 0.000 0.827 394 Q CA -0.199 55.469 55.803 -0.224 0.000 1.055 394 Q CB -0.151 28.500 28.738 -0.146 0.000 1.157 394 Q HN 0.066 nan 8.270 nan 0.000 0.482 395 D N 2.244 122.369 120.400 -0.459 0.000 2.383 395 D HA -0.008 4.864 4.640 0.386 0.000 0.248 395 D C 1.389 177.636 176.300 -0.088 0.000 1.170 395 D CA -0.198 53.594 54.000 -0.346 0.000 0.977 395 D CB 0.976 41.391 40.800 -0.642 0.000 1.120 395 D HN 0.154 nan 8.370 nan 0.000 0.481 396 E N 0.238 120.438 120.200 0.001 0.000 2.112 396 E HA -0.110 4.472 4.350 0.386 0.000 0.190 396 E C -0.163 176.538 176.600 0.167 0.000 0.979 396 E CA 0.942 57.386 56.400 0.072 0.000 0.814 396 E CB 0.055 29.786 29.700 0.052 0.000 0.762 396 E HN 0.353 nan 8.360 nan 0.000 0.460 397 E N 2.262 122.621 120.200 0.265 0.000 2.214 397 E HA 0.366 4.948 4.350 0.386 0.000 0.274 397 E C -2.239 174.680 176.600 0.532 0.000 0.977 397 E CA -2.824 53.778 56.400 0.335 0.000 0.827 397 E CB 1.188 31.070 29.700 0.303 0.000 1.130 397 E HN 0.093 nan 8.360 nan 0.000 0.394 398 P HA -0.010 nan 4.420 nan 0.000 0.269 398 P C 1.010 178.284 177.300 -0.043 0.000 1.215 398 P CA -0.061 63.161 63.100 0.203 0.000 0.780 398 P CB 0.549 32.290 31.700 0.068 0.000 0.898 399 C N 0.307 119.198 119.300 -0.681 0.000 2.481 399 C HA 0.487 5.178 4.460 0.386 0.000 0.275 399 C C 1.043 175.955 174.990 -0.129 0.000 1.419 399 C CA 0.201 58.629 59.018 -0.984 0.000 1.773 399 C CB -1.353 25.422 27.740 -1.609 0.000 1.862 399 C HN 0.620 nan 8.230 nan 0.000 0.530 400 A N -0.016 122.760 122.820 -0.073 0.000 2.386 400 A HA 0.560 5.111 4.320 0.386 0.000 0.311 400 A C -0.452 176.889 177.584 -0.405 0.000 1.068 400 A CA -0.342 51.648 52.037 -0.079 0.000 0.743 400 A CB 0.175 19.200 19.000 0.042 0.000 1.258 400 A HN 0.569 nan 8.150 nan 0.000 0.429 401 H N 2.603 121.028 119.070 -1.076 0.000 2.928 401 H HA 0.060 4.847 4.556 0.385 0.000 0.338 401 H C -1.700 173.321 175.328 -0.513 0.000 1.047 401 H CA -0.584 54.802 56.048 -1.104 0.000 1.435 401 H CB 1.165 29.986 29.762 -1.568 0.000 1.428 401 H HN 0.289 nan 8.280 nan 0.000 0.590 402 P HA -0.140 nan 4.420 nan 0.000 0.218 402 P C 0.732 177.862 177.300 -0.284 0.000 1.146 402 P CA 1.490 64.315 63.100 -0.459 0.000 0.813 402 P CB 0.240 31.666 31.700 -0.457 0.000 0.778 403 N N -1.115 117.506 118.700 -0.132 0.000 2.251 403 N HA 0.012 4.984 4.740 0.386 0.000 0.217 403 N C -0.335 175.184 175.510 0.014 0.000 1.124 403 N CA -0.189 52.866 53.050 0.009 0.000 0.843 403 N CB -0.236 38.294 38.487 0.071 0.000 1.024 403 N HN -0.009 nan 8.380 nan 0.000 0.501 404 S N -0.254 115.410 115.700 -0.059 0.000 2.576 404 S HA 0.312 5.014 4.470 0.386 0.000 0.272 404 S C 0.102 174.584 174.600 -0.197 0.000 1.352 404 S CA -0.342 57.813 58.200 -0.074 0.000 1.021 404 S CB 1.117 64.266 63.200 -0.084 0.000 0.887 404 S HN 0.111 nan 8.310 nan 0.000 0.542 405 R N 0.550 120.935 120.500 -0.191 0.000 2.771 405 R HA 0.494 5.066 4.340 0.386 0.000 0.274 405 R C -1.129 175.016 176.300 -0.259 0.000 0.987 405 R CA -0.681 55.131 56.100 -0.481 0.000 0.908 405 R CB 1.397 31.174 30.300 -0.871 0.000 1.213 405 R HN 0.794 nan 8.270 nan 0.000 0.468 406 F N -1.182 118.558 119.950 -0.351 0.000 2.450 406 F HA 0.667 5.430 4.527 0.392 0.000 0.332 406 F C -0.218 175.411 175.800 -0.284 0.000 1.093 406 F CA -1.469 56.283 58.000 -0.412 0.000 1.003 406 F CB 1.242 39.976 39.000 -0.444 0.000 1.151 406 F HN 0.328 nan 8.300 nan 0.000 0.474 407 C N 3.591 122.901 119.300 0.016 0.000 2.356 407 C HA 0.757 5.449 4.460 0.386 0.000 0.324 407 C C -0.576 174.463 174.990 0.080 0.000 1.167 407 C CA 0.088 59.194 59.018 0.146 0.000 1.420 407 C CB -0.172 27.679 27.740 0.185 0.000 2.036 407 C HN 1.097 nan 8.230 nan 0.000 0.435 408 T N 6.766 121.405 114.554 0.142 0.000 2.912 408 T HA 0.610 5.191 4.350 0.386 0.000 0.299 408 T C -2.969 171.725 174.700 -0.009 0.000 1.052 408 T CA -1.093 61.052 62.100 0.075 0.000 0.996 408 T CB 1.818 70.745 68.868 0.098 0.000 1.070 408 T HN 0.467 nan 8.240 nan 0.000 0.465 409 P HA 0.216 nan 4.420 nan 0.000 0.264 409 P C 0.152 177.299 177.300 -0.254 0.000 1.193 409 P CA -0.056 62.962 63.100 -0.137 0.000 0.763 409 P CB 0.506 32.164 31.700 -0.070 0.000 0.810 410 A N 3.629 126.128 122.820 -0.535 0.000 1.972 410 A HA -0.169 4.383 4.320 0.386 0.000 0.219 410 A C 2.111 179.295 177.584 -0.667 0.000 1.169 410 A CA 1.997 53.466 52.037 -0.945 0.000 0.635 410 A CB -1.542 16.614 19.000 -1.408 0.000 0.810 410 A HN 0.579 nan 8.150 nan 0.000 0.446 411 S N -0.498 114.957 115.700 -0.409 0.000 2.465 411 S HA -0.223 4.479 4.470 0.386 0.000 0.241 411 S C 1.608 176.147 174.600 -0.102 0.000 1.000 411 S CA 1.474 59.576 58.200 -0.164 0.000 0.964 411 S CB -0.441 62.809 63.200 0.084 0.000 0.763 411 S HN 0.717 nan 8.310 nan 0.000 0.512 412 Q N -0.337 119.409 119.800 -0.089 0.000 2.408 412 Q HA 0.217 4.789 4.340 0.386 0.000 0.205 412 Q C 0.617 176.607 176.000 -0.017 0.000 0.919 412 Q CA -0.085 55.700 55.803 -0.029 0.000 0.932 412 Q CB 0.137 28.869 28.738 -0.010 0.000 1.058 412 Q HN 0.654 nan 8.270 nan 0.000 0.517 413 C N 3.423 122.719 119.300 -0.006 0.000 2.638 413 C HA 0.082 4.773 4.460 0.386 0.000 0.410 413 C C -0.858 174.113 174.990 -0.031 0.000 1.404 413 C CA -1.563 57.459 59.018 0.006 0.000 1.651 413 C CB 0.408 28.194 27.740 0.076 0.000 2.495 413 C HN 0.352 nan 8.230 nan 0.000 0.606 414 P HA -0.070 nan 4.420 nan 0.000 0.226 414 P C 0.555 177.847 177.300 -0.014 0.000 1.153 414 P CA 1.444 64.532 63.100 -0.020 0.000 0.777 414 P CB -0.196 31.489 31.700 -0.024 0.000 0.794 415 I N -4.728 115.829 120.570 -0.021 0.000 3.762 415 I HA 0.349 4.751 4.170 0.386 0.000 0.333 415 I C 0.335 176.453 176.117 0.002 0.000 1.566 415 I CA -1.105 60.192 61.300 -0.005 0.000 1.129 415 I CB -0.229 37.767 38.000 -0.006 0.000 1.218 415 I HN -0.346 nan 8.210 nan 0.000 0.456 416 I N 2.397 122.950 120.570 -0.029 0.000 2.775 416 I HA -0.022 4.380 4.170 0.386 0.000 0.290 416 I C 0.522 176.670 176.117 0.051 0.000 1.203 416 I CA 0.567 61.821 61.300 -0.076 0.000 1.433 416 I CB 0.267 38.069 38.000 -0.331 0.000 1.354 416 I HN 0.351 nan 8.210 nan 0.000 0.579 417 D N 8.895 129.384 120.400 0.147 0.000 2.424 417 D HA 0.132 5.004 4.640 0.386 0.000 0.244 417 D C -1.536 174.960 176.300 0.326 0.000 1.134 417 D CA -1.007 53.142 54.000 0.248 0.000 0.881 417 D CB 1.024 42.030 40.800 0.343 0.000 1.191 417 D HN 0.360 nan 8.370 nan 0.000 0.445 418 P HA -0.090 nan 4.420 nan 0.000 0.225 418 P C 0.157 177.577 177.300 0.200 0.000 1.148 418 P CA 0.664 63.897 63.100 0.221 0.000 0.779 418 P CB 0.177 31.966 31.700 0.147 0.000 0.780 419 A N -0.457 122.496 122.820 0.221 0.000 2.423 419 A HA 0.095 4.647 4.320 0.386 0.000 0.246 419 A C 1.699 179.332 177.584 0.081 0.000 1.278 419 A CA -0.681 51.420 52.037 0.108 0.000 0.903 419 A CB -1.408 17.646 19.000 0.089 0.000 0.997 419 A HN 0.330 nan 8.150 nan 0.000 0.510 420 W N 1.473 122.795 121.300 0.037 0.000 2.421 420 W HA -0.097 4.789 4.660 0.377 0.000 0.270 420 W C 0.155 176.655 176.519 -0.030 0.000 1.233 420 W CA 1.420 58.776 57.345 0.019 0.000 1.226 420 W CB -0.308 29.180 29.460 0.047 0.000 1.121 420 W HN 0.613 nan 8.180 nan 0.000 0.579 421 E N 1.066 120.770 120.200 -0.826 0.000 2.734 421 E HA 0.150 4.732 4.350 0.386 0.000 0.211 421 E C 0.168 176.522 176.600 -0.410 0.000 0.991 421 E CA -0.236 55.684 56.400 -0.799 0.000 1.065 421 E CB 0.146 29.133 29.700 -1.188 0.000 1.047 421 E HN -0.063 nan 8.360 nan 0.000 0.470 422 S N 2.251 117.793 115.700 -0.263 0.000 2.525 422 S HA 0.073 4.775 4.470 0.386 0.000 0.285 422 S C -1.471 173.028 174.600 -0.169 0.000 1.283 422 S CA -1.200 56.895 58.200 -0.176 0.000 1.072 422 S CB 0.762 63.889 63.200 -0.121 0.000 0.867 422 S HN -0.035 nan 8.310 nan 0.000 0.492 423 P HA -0.015 nan 4.420 nan 0.000 0.220 423 P C 0.664 177.896 177.300 -0.113 0.000 1.148 423 P CA 0.875 63.898 63.100 -0.130 0.000 0.803 423 P CB 0.136 31.772 31.700 -0.107 0.000 0.782 424 E N -0.857 119.280 120.200 -0.105 0.000 2.358 424 E HA 0.231 4.813 4.350 0.386 0.000 0.195 424 E C 1.178 177.713 176.600 -0.109 0.000 1.010 424 E CA 0.704 57.047 56.400 -0.095 0.000 0.856 424 E CB -0.621 29.032 29.700 -0.079 0.000 0.795 424 E HN 0.164 nan 8.360 nan 0.000 0.504 425 G N -0.134 108.589 108.800 -0.128 0.000 2.828 425 G HA2 -0.181 4.010 3.960 0.386 0.000 0.463 425 G HA3 -0.181 4.010 3.960 0.386 0.000 0.463 425 G C -0.242 174.539 174.900 -0.200 0.000 1.394 425 G CA -0.470 44.541 45.100 -0.147 0.000 0.862 425 G HN 0.602 nan 8.290 nan 0.000 0.540 426 V N -2.426 117.322 119.914 -0.278 0.000 2.581 426 V HA 0.876 5.227 4.120 0.386 0.000 0.303 426 V C -2.205 173.706 176.094 -0.305 0.000 1.041 426 V CA -2.037 59.970 62.300 -0.488 0.000 0.907 426 V CB 2.242 33.378 31.823 -1.145 0.000 0.994 426 V HN 0.902 nan 8.190 nan 0.000 0.442 427 P HA 0.348 nan 4.420 nan 0.000 0.281 427 P C -0.562 176.757 177.300 0.032 0.000 1.286 427 P CA -0.126 62.941 63.100 -0.054 0.000 0.772 427 P CB 0.734 32.436 31.700 0.003 0.000 0.862 428 I N 4.132 124.709 120.570 0.011 0.000 2.416 428 I HA 0.106 4.508 4.170 0.386 0.000 0.288 428 I C 1.427 177.593 176.117 0.082 0.000 1.051 428 I CA 0.234 61.577 61.300 0.071 0.000 1.375 428 I CB 0.048 38.073 38.000 0.041 0.000 1.407 428 I HN 0.439 nan 8.210 nan 0.000 0.516 429 E N 3.689 123.954 120.200 0.109 0.000 2.490 429 E HA 0.254 4.836 4.350 0.386 0.000 0.209 429 E C 0.736 177.411 176.600 0.125 0.000 0.971 429 E CA -0.093 56.360 56.400 0.088 0.000 0.988 429 E CB 1.158 30.877 29.700 0.032 0.000 1.029 429 E HN 0.786 nan 8.360 nan 0.000 0.496 430 G N 1.018 109.914 108.800 0.161 0.000 2.719 430 G HA2 0.608 4.800 3.960 0.386 0.000 0.298 430 G HA3 0.608 4.800 3.960 0.386 0.000 0.298 430 G C -1.274 173.735 174.900 0.182 0.000 1.411 430 G CA -0.593 44.646 45.100 0.231 0.000 0.991 430 G HN -0.044 nan 8.290 nan 0.000 0.509 431 I N 1.536 122.188 120.570 0.136 0.000 2.436 431 I HA 0.433 4.835 4.170 0.386 0.000 0.289 431 I C -0.621 175.390 176.117 -0.177 0.000 1.010 431 I CA -0.718 60.562 61.300 -0.033 0.000 1.098 431 I CB 2.154 40.134 38.000 -0.033 0.000 1.266 431 I HN 0.215 nan 8.210 nan 0.000 0.434 432 I N 6.074 126.492 120.570 -0.254 0.000 2.389 432 I HA 0.389 4.791 4.170 0.386 0.000 0.288 432 I C -0.788 175.090 176.117 -0.399 0.000 0.999 432 I CA -0.433 60.751 61.300 -0.193 0.000 1.129 432 I CB 1.126 39.121 38.000 -0.009 0.000 1.288 432 I HN 0.268 nan 8.210 nan 0.000 0.444 433 F N 3.393 123.308 119.950 -0.058 0.000 2.440 433 F HA 0.849 5.604 4.527 0.380 0.000 0.328 433 F C 0.870 176.520 175.800 -0.250 0.000 1.070 433 F CA -0.779 57.146 58.000 -0.125 0.000 1.011 433 F CB 1.831 40.747 39.000 -0.139 0.000 1.226 433 F HN 0.431 nan 8.300 nan 0.000 0.491 434 G N -0.837 108.003 108.800 0.067 0.000 2.649 434 G HA2 0.655 4.847 3.960 0.386 0.000 0.290 434 G HA3 0.655 4.847 3.960 0.386 0.000 0.290 434 G C -1.382 173.396 174.900 -0.203 0.000 1.426 434 G CA -0.460 44.433 45.100 -0.345 0.000 0.794 434 G HN 0.963 nan 8.290 nan 0.000 0.483 435 G N -0.900 107.736 108.800 -0.272 0.000 2.632 435 G HA2 0.524 4.715 3.960 0.386 0.000 0.292 435 G HA3 0.524 4.715 3.960 0.386 0.000 0.292 435 G C -1.277 173.598 174.900 -0.043 0.000 1.465 435 G CA -0.905 44.140 45.100 -0.092 0.000 0.824 435 G HN 0.606 nan 8.290 nan 0.000 0.509 436 R N 1.189 121.649 120.500 -0.067 0.000 2.220 436 R HA 0.394 4.966 4.340 0.386 0.000 0.340 436 R C -0.675 175.632 176.300 0.013 0.000 1.076 436 R CA -0.466 55.605 56.100 -0.049 0.000 0.920 436 R CB 0.219 30.296 30.300 -0.371 0.000 1.062 436 R HN 0.249 nan 8.270 nan 0.000 0.469 437 R N 6.062 126.619 120.500 0.094 0.000 2.412 437 R HA 0.222 4.794 4.340 0.386 0.000 0.304 437 R C -1.993 174.350 176.300 0.072 0.000 1.066 437 R CA -2.374 53.762 56.100 0.059 0.000 0.923 437 R CB 1.644 31.978 30.300 0.056 0.000 1.156 437 R HN 0.532 nan 8.270 nan 0.000 0.513 438 P HA -0.092 nan 4.420 nan 0.000 0.221 438 P C -0.077 177.211 177.300 -0.019 0.000 1.145 438 P CA 0.969 64.100 63.100 0.051 0.000 0.795 438 P CB 0.566 32.276 31.700 0.015 0.000 0.775 439 A N -2.103 120.673 122.820 -0.073 0.000 2.498 439 A HA 0.648 5.200 4.320 0.386 0.000 0.298 439 A C 1.009 178.239 177.584 -0.590 0.000 1.075 439 A CA -0.018 51.886 52.037 -0.222 0.000 0.714 439 A CB 1.157 20.078 19.000 -0.131 0.000 1.299 439 A HN 0.176 nan 8.150 nan 0.000 0.407 440 G N -0.626 107.643 108.800 -0.885 0.000 2.396 440 G HA2 -0.185 4.007 3.960 0.386 0.000 0.242 440 G HA3 -0.185 4.007 3.960 0.386 0.000 0.242 440 G C 0.338 174.821 174.900 -0.696 0.000 1.069 440 G CA 0.467 44.550 45.100 -1.694 0.000 0.633 440 G HN 1.686 nan 8.290 nan 0.000 0.517 441 V N 3.596 123.312 119.914 -0.330 0.000 2.364 441 V HA 0.470 4.822 4.120 0.386 0.000 0.272 441 V C -1.545 174.573 176.094 0.041 0.000 1.036 441 V CA -1.459 60.898 62.300 0.095 0.000 0.880 441 V CB 1.432 33.363 31.823 0.180 0.000 0.991 441 V HN 0.166 nan 8.190 nan 0.000 0.460 442 P HA 0.020 nan 4.420 nan 0.000 0.269 442 P C 0.863 178.018 177.300 -0.241 0.000 1.217 442 P CA -0.267 62.755 63.100 -0.130 0.000 0.783 442 P CB 0.644 32.365 31.700 0.035 0.000 0.898 443 L N 3.490 124.307 121.223 -0.677 0.000 2.021 443 L HA -0.084 4.488 4.340 0.386 0.000 0.215 443 L C 0.535 177.158 176.870 -0.411 0.000 1.074 443 L CA 2.140 56.582 54.840 -0.663 0.000 0.760 443 L CB -0.197 41.232 42.059 -1.050 0.000 0.889 443 L HN 0.229 nan 8.230 nan 0.000 0.433 444 V N -0.831 118.965 119.914 -0.197 0.000 2.891 444 V HA 0.451 4.803 4.120 0.386 0.000 0.304 444 V C -1.582 174.683 176.094 0.285 0.000 1.171 444 V CA -0.598 61.712 62.300 0.017 0.000 0.943 444 V CB 1.880 33.695 31.823 -0.014 0.000 1.037 444 V HN 0.373 nan 8.190 nan 0.000 0.427 445 Y N 2.514 122.977 120.300 0.271 0.000 2.615 445 Y HA 0.834 5.616 4.550 0.387 0.000 0.341 445 Y C -0.822 175.405 175.900 0.545 0.000 1.089 445 Y CA -1.032 57.282 58.100 0.356 0.000 1.049 445 Y CB 1.687 40.279 38.460 0.220 0.000 1.296 445 Y HN 0.696 nan 8.280 nan 0.000 0.470 446 E N 1.892 122.533 120.200 0.736 0.000 2.187 446 E HA 0.703 5.284 4.350 0.386 0.000 0.268 446 E C -1.011 175.856 176.600 0.445 0.000 0.896 446 E CA -1.178 55.526 56.400 0.507 0.000 0.766 446 E CB 1.814 31.852 29.700 0.563 0.000 1.142 446 E HN 1.045 nan 8.360 nan 0.000 0.408 447 A N 4.383 127.337 122.820 0.224 0.000 2.445 447 A HA 0.135 4.686 4.320 0.386 0.000 0.242 447 A C 0.983 178.818 177.584 0.417 0.000 1.075 447 A CA -0.132 52.069 52.037 0.274 0.000 0.777 447 A CB 0.232 19.245 19.000 0.022 0.000 1.013 447 A HN 0.858 nan 8.150 nan 0.000 0.493 448 L N 1.327 122.901 121.223 0.586 0.000 2.376 448 L HA 0.023 4.595 4.340 0.386 0.000 0.219 448 L C 0.990 178.030 176.870 0.283 0.000 1.133 448 L CA 1.174 56.188 54.840 0.290 0.000 0.816 448 L CB -0.659 41.381 42.059 -0.030 0.000 0.933 448 L HN 0.913 nan 8.230 nan 0.000 0.449 449 S N -3.958 111.923 115.700 0.303 0.000 2.636 449 S HA 0.024 4.726 4.470 0.386 0.000 0.266 449 S C -0.065 174.726 174.600 0.319 0.000 1.147 449 S CA -0.923 57.442 58.200 0.275 0.000 0.815 449 S CB 0.235 63.573 63.200 0.229 0.000 1.119 449 S HN 0.205 nan 8.310 nan 0.000 0.470 450 W N 1.228 122.620 121.300 0.153 0.000 2.335 450 W HA -0.198 4.692 4.660 0.382 0.000 0.311 450 W C 1.535 178.195 176.519 0.236 0.000 1.213 450 W CA 2.510 59.967 57.345 0.186 0.000 1.274 450 W CB -0.474 29.072 29.460 0.144 0.000 1.148 450 W HN 0.864 nan 8.180 nan 0.000 0.498 451 Q N -0.944 119.028 119.800 0.286 0.000 2.050 451 Q HA -0.258 4.314 4.340 0.386 0.000 0.202 451 Q C 2.297 178.414 176.000 0.196 0.000 0.980 451 Q CA 2.221 58.147 55.803 0.204 0.000 0.840 451 Q CB -1.357 27.521 28.738 0.232 0.000 0.898 451 Q HN 0.510 nan 8.270 nan 0.000 0.424 452 H N -0.707 118.428 119.070 0.108 0.000 2.353 452 H HA -0.105 4.683 4.556 0.388 0.000 0.300 452 H C 1.895 177.328 175.328 0.175 0.000 1.090 452 H CA 1.074 57.198 56.048 0.128 0.000 1.327 452 H CB -0.039 29.777 29.762 0.090 0.000 1.383 452 H HN 0.388 nan 8.280 nan 0.000 0.508 453 G N 0.293 109.095 108.800 0.003 0.000 2.440 453 G HA2 -0.235 3.957 3.960 0.386 0.000 0.218 453 G HA3 -0.235 3.957 3.960 0.386 0.000 0.218 453 G C 1.841 176.665 174.900 -0.126 0.000 1.154 453 G CA 1.075 46.121 45.100 -0.090 0.000 0.767 453 G HN 0.343 nan 8.290 nan 0.000 0.552 454 V N 0.403 120.213 119.914 -0.173 0.000 2.358 454 V HA -0.114 4.238 4.120 0.386 0.000 0.246 454 V C 2.310 178.397 176.094 -0.012 0.000 1.047 454 V CA 1.759 64.009 62.300 -0.083 0.000 1.035 454 V CB -0.639 31.177 31.823 -0.011 0.000 0.658 454 V HN 0.410 nan 8.190 nan 0.000 0.452 455 F N 0.815 120.730 119.950 -0.059 0.000 2.126 455 F HA -0.196 4.564 4.527 0.389 0.000 0.299 455 F C 2.212 177.945 175.800 -0.112 0.000 1.096 455 F CA 1.879 59.870 58.000 -0.014 0.000 1.255 455 F CB -0.371 38.675 39.000 0.077 0.000 0.997 455 F HN -0.036 nan 8.300 nan 0.000 0.479 456 V N 0.736 120.525 119.914 -0.208 0.000 2.287 456 V HA -0.274 4.078 4.120 0.386 0.000 0.248 456 V C 2.793 178.502 176.094 -0.641 0.000 1.053 456 V CA 2.023 64.134 62.300 -0.315 0.000 1.027 456 V CB -1.701 30.057 31.823 -0.108 0.000 0.646 456 V HN 0.577 nan 8.190 nan 0.000 0.447 457 G N -0.398 107.687 108.800 -1.192 0.000 2.446 457 G HA2 -0.245 3.947 3.960 0.386 0.000 0.217 457 G HA3 -0.245 3.947 3.960 0.386 0.000 0.217 457 G C 1.743 175.936 174.900 -1.179 0.000 1.168 457 G CA 1.064 44.745 45.100 -2.365 0.000 0.771 457 G HN 0.632 nan 8.290 nan 0.000 0.551 458 A N 0.715 123.248 122.820 -0.478 0.000 2.019 458 A HA 0.378 4.930 4.320 0.386 0.000 0.219 458 A C 2.523 180.064 177.584 -0.072 0.000 1.164 458 A CA 1.975 54.087 52.037 0.126 0.000 0.644 458 A CB -0.377 18.761 19.000 0.230 0.000 0.805 458 A HN 0.835 nan 8.150 nan 0.000 0.449 459 A N -1.167 121.419 122.820 -0.391 0.000 2.275 459 A HA 0.458 5.010 4.320 0.386 0.000 0.212 459 A C 0.911 178.358 177.584 -0.228 0.000 1.201 459 A CA -0.337 51.492 52.037 -0.346 0.000 0.843 459 A CB -0.480 18.139 19.000 -0.636 0.000 0.873 459 A HN 0.508 nan 8.150 nan 0.000 0.492 460 M N 0.979 120.440 119.600 -0.232 0.000 2.260 460 M HA 0.119 4.831 4.480 0.386 0.000 0.348 460 M C 0.199 176.391 176.300 -0.179 0.000 1.342 460 M CA 1.065 56.279 55.300 -0.144 0.000 1.040 460 M CB 0.215 32.722 32.600 -0.155 0.000 1.810 460 M HN 0.314 nan 8.290 nan 0.000 0.453 461 R N 1.181 121.583 120.500 -0.164 0.000 2.808 461 R HA 0.747 5.318 4.340 0.386 0.000 0.272 461 R C -1.297 174.917 176.300 -0.143 0.000 0.995 461 R CA -0.882 55.057 56.100 -0.269 0.000 0.917 461 R CB 2.463 32.500 30.300 -0.439 0.000 1.217 461 R HN 0.626 nan 8.270 nan 0.000 0.471 462 S N 0.107 115.714 115.700 -0.155 0.000 2.535 462 S HA 0.101 4.803 4.470 0.386 0.000 0.272 462 S C -1.573 172.959 174.600 -0.112 0.000 1.149 462 S CA -0.728 57.408 58.200 -0.106 0.000 0.888 462 S CB 1.663 64.812 63.200 -0.086 0.000 1.110 462 S HN 0.591 nan 8.310 nan 0.000 0.463 463 E N 2.514 122.654 120.200 -0.100 0.000 2.351 463 E HA 0.446 5.028 4.350 0.386 0.000 0.266 463 E C 0.460 177.004 176.600 -0.094 0.000 1.031 463 E CA -0.118 56.228 56.400 -0.090 0.000 0.911 463 E CB 0.655 30.309 29.700 -0.077 0.000 0.986 463 E HN 0.649 nan 8.360 nan 0.000 0.446 473 K N -0.459 119.921 120.400 -0.034 0.000 2.614 473 K HA 0.446 4.998 4.320 0.386 0.000 0.190 473 K C -0.621 175.959 176.600 -0.033 0.000 1.255 473 K CA -0.233 56.036 56.287 -0.030 0.000 1.099 473 K CB 1.386 33.872 32.500 -0.024 0.000 1.023 473 K HN 0.354 nan 8.250 nan 0.000 0.576 474 V N 2.641 122.531 119.914 -0.041 0.000 2.638 474 V HA 0.405 4.757 4.120 0.386 0.000 0.306 474 V C -0.646 175.409 176.094 -0.066 0.000 1.052 474 V CA -0.897 61.375 62.300 -0.046 0.000 0.885 474 V CB 2.121 33.922 31.823 -0.037 0.000 0.999 474 V HN 0.173 nan 8.190 nan 0.000 0.424 475 I N 6.050 126.569 120.570 -0.085 0.000 2.291 475 I HA 0.383 4.785 4.170 0.386 0.000 0.290 475 I C 0.053 176.066 176.117 -0.172 0.000 1.050 475 I CA -0.258 60.964 61.300 -0.130 0.000 1.245 475 I CB 1.162 39.072 38.000 -0.149 0.000 1.405 475 I HN 0.722 nan 8.210 nan 0.000 0.478 476 M N 5.299 124.800 119.600 -0.166 0.000 2.528 476 M HA 0.508 5.219 4.480 0.386 0.000 0.318 476 M C -0.191 175.941 176.300 -0.280 0.000 1.195 476 M CA -0.032 55.175 55.300 -0.155 0.000 1.000 476 M CB 0.588 33.145 32.600 -0.073 0.000 1.615 476 M HN 0.210 nan 8.290 nan 0.000 0.469 477 H N 0.774 119.690 119.070 -0.257 0.000 2.548 477 H HA 0.338 5.124 4.556 0.385 0.000 0.331 477 H C -0.966 174.215 175.328 -0.245 0.000 1.093 477 H CA 0.244 56.048 56.048 -0.407 0.000 1.367 477 H CB 1.112 30.295 29.762 -0.965 0.000 1.455 477 H HN 0.708 nan 8.280 nan 0.000 0.519 478 D N 4.196 124.531 120.400 -0.108 0.000 2.714 478 D HA 0.148 5.020 4.640 0.386 0.000 0.264 478 D C -2.721 173.552 176.300 -0.045 0.000 1.231 478 D CA -1.734 52.231 54.000 -0.059 0.000 0.802 478 D CB 0.921 41.699 40.800 -0.037 0.000 1.319 478 D HN 0.239 nan 8.370 nan 0.000 0.528 479 P HA 0.043 nan 4.420 nan 0.000 0.263 479 P C 0.264 177.692 177.300 0.213 0.000 1.195 479 P CA -0.028 63.103 63.100 0.052 0.000 0.762 479 P CB 0.090 31.790 31.700 -0.000 0.000 0.799 480 F N 1.487 121.346 119.950 -0.152 0.000 3.021 480 F HA -0.302 4.457 4.527 0.386 0.000 0.294 480 F C 1.450 177.311 175.800 0.101 0.000 0.761 480 F CA 1.127 59.100 58.000 -0.045 0.000 1.102 480 F CB -2.658 36.433 39.000 0.152 0.000 1.380 480 F HN 0.584 nan 8.300 nan 0.000 0.387 481 A N -1.497 121.426 122.820 0.172 0.000 2.826 481 A HA -0.294 4.258 4.320 0.386 0.000 0.274 481 A C 1.333 179.093 177.584 0.293 0.000 1.443 481 A CA 1.650 53.825 52.037 0.230 0.000 0.833 481 A CB -1.444 17.702 19.000 0.243 0.000 1.023 481 A HN 0.435 nan 8.150 nan 0.000 0.600 482 M N -1.611 117.962 119.600 -0.045 0.000 2.346 482 M HA 0.148 4.859 4.480 0.386 0.000 0.280 482 M C 1.623 177.348 176.300 -0.959 0.000 1.075 482 M CA 0.400 55.412 55.300 -0.479 0.000 0.989 482 M CB -0.337 31.654 32.600 -1.015 0.000 1.447 482 M HN 0.633 nan 8.290 nan 0.000 0.511 483 R N 1.775 121.973 120.500 -0.504 0.000 2.096 483 R HA -0.143 4.429 4.340 0.386 0.000 0.240 483 R C -1.044 175.027 176.300 -0.381 0.000 1.139 483 R CA 1.777 57.692 56.100 -0.309 0.000 0.952 483 R CB -0.893 29.331 30.300 -0.126 0.000 0.854 483 R HN 0.173 nan 8.270 nan 0.000 0.436 484 P HA 0.016 nan 4.420 nan 0.000 0.245 484 P C -0.169 176.629 177.300 -0.838 0.000 1.212 484 P CA 0.869 63.484 63.100 -0.809 0.000 0.774 484 P CB 0.157 31.160 31.700 -1.161 0.000 0.999 485 F N -3.290 116.484 119.950 -0.293 0.000 2.798 485 F HA 0.315 5.085 4.527 0.405 0.000 0.328 485 F C 0.547 176.183 175.800 -0.273 0.000 1.098 485 F CA -1.035 56.801 58.000 -0.273 0.000 1.172 485 F CB -0.637 38.190 39.000 -0.289 0.000 1.072 485 F HN -0.311 nan 8.300 nan 0.000 0.555 486 F N 1.095 121.004 119.950 -0.068 0.000 2.590 486 F HA 0.295 5.060 4.527 0.397 0.000 0.389 486 F C 1.697 177.448 175.800 -0.082 0.000 1.049 486 F CA -0.114 57.787 58.000 -0.165 0.000 1.199 486 F CB 0.329 39.152 39.000 -0.295 0.000 1.058 486 F HN 0.114 nan 8.300 nan 0.000 0.556 487 G N 3.136 112.050 108.800 0.191 0.000 2.712 487 G HA2 0.078 4.270 3.960 0.386 0.000 0.212 487 G HA3 0.078 4.270 3.960 0.386 0.000 0.212 487 G C -0.401 174.685 174.900 0.310 0.000 1.142 487 G CA 0.649 45.879 45.100 0.217 0.000 0.789 487 G HN 0.691 nan 8.290 nan 0.000 0.535 488 Y N -3.039 117.333 120.300 0.119 0.000 2.788 488 Y HA 0.459 5.231 4.550 0.371 0.000 0.335 488 Y C -0.637 175.285 175.900 0.037 0.000 1.287 488 Y CA -2.223 55.916 58.100 0.065 0.000 1.068 488 Y CB 0.112 38.592 38.460 0.033 0.000 1.340 488 Y HN -0.158 nan 8.280 nan 0.000 0.449 489 N N 1.804 120.553 118.700 0.083 0.000 2.236 489 N HA -0.149 4.823 4.740 0.386 0.000 0.274 489 N C 0.569 175.936 175.510 -0.239 0.000 1.339 489 N CA 0.538 53.558 53.050 -0.050 0.000 0.845 489 N CB 0.051 38.564 38.487 0.043 0.000 1.091 489 N HN 0.793 nan 8.380 nan 0.000 0.489 490 F N 4.736 124.351 119.950 -0.559 0.000 2.161 490 F HA -0.010 4.747 4.527 0.384 0.000 0.300 490 F C 2.029 177.627 175.800 -0.337 0.000 1.089 490 F CA 1.881 59.394 58.000 -0.812 0.000 1.282 490 F CB -0.683 37.672 39.000 -1.074 0.000 1.010 490 F HN 0.546 nan 8.300 nan 0.000 0.485 491 G N 0.789 109.347 108.800 -0.403 0.000 2.476 491 G HA2 -0.275 3.916 3.960 0.386 0.000 0.218 491 G HA3 -0.275 3.916 3.960 0.386 0.000 0.218 491 G C 1.804 176.607 174.900 -0.162 0.000 1.164 491 G CA 0.840 45.739 45.100 -0.335 0.000 0.768 491 G HN 0.224 nan 8.290 nan 0.000 0.560 492 K N -0.232 120.155 120.400 -0.022 0.000 2.148 492 K HA -0.045 4.506 4.320 0.386 0.000 0.204 492 K C 2.044 178.824 176.600 0.301 0.000 1.050 492 K CA 0.781 57.159 56.287 0.152 0.000 0.942 492 K CB -0.602 32.049 32.500 0.251 0.000 0.724 492 K HN 0.532 nan 8.250 nan 0.000 0.446 493 Y N 1.868 122.195 120.300 0.045 0.000 2.145 493 Y HA -0.178 4.601 4.550 0.382 0.000 0.286 493 Y C 2.003 177.974 175.900 0.118 0.000 1.145 493 Y CA 1.354 59.514 58.100 0.100 0.000 1.148 493 Y CB -0.368 37.947 38.460 -0.241 0.000 0.981 493 Y HN -0.107 nan 8.280 nan 0.000 0.507 494 L N -0.008 121.189 121.223 -0.043 0.000 2.012 494 L HA -0.268 4.304 4.340 0.386 0.000 0.210 494 L C 2.856 179.776 176.870 0.085 0.000 1.073 494 L CA 1.311 56.088 54.840 -0.104 0.000 0.748 494 L CB -1.123 40.760 42.059 -0.295 0.000 0.891 494 L HN 0.381 nan 8.230 nan 0.000 0.431 495 A N -0.626 122.250 122.820 0.094 0.000 1.908 495 A HA -0.322 4.230 4.320 0.386 0.000 0.218 495 A C 2.120 179.841 177.584 0.229 0.000 1.181 495 A CA 2.155 54.284 52.037 0.153 0.000 0.627 495 A CB -0.874 18.196 19.000 0.118 0.000 0.818 495 A HN 0.524 nan 8.150 nan 0.000 0.445 496 H N -2.116 117.039 119.070 0.142 0.000 2.321 496 H HA -0.190 4.598 4.556 0.386 0.000 0.300 496 H C 1.777 177.203 175.328 0.163 0.000 1.087 496 H CA 2.154 58.274 56.048 0.121 0.000 1.319 496 H CB -0.414 29.415 29.762 0.112 0.000 1.379 496 H HN 0.628 nan 8.280 nan 0.000 0.501 497 W N 0.609 121.886 121.300 -0.037 0.000 2.333 497 W HA -0.148 4.736 4.660 0.374 0.000 0.316 497 W C 2.548 179.290 176.519 0.372 0.000 1.215 497 W CA 1.551 58.949 57.345 0.087 0.000 1.278 497 W CB -0.654 28.785 29.460 -0.035 0.000 1.154 497 W HN 0.190 nan 8.180 nan 0.000 0.486 498 L N 0.263 121.800 121.223 0.524 0.000 2.127 498 L HA -0.248 4.323 4.340 0.386 0.000 0.211 498 L C 2.613 179.740 176.870 0.428 0.000 1.089 498 L CA 1.658 56.811 54.840 0.521 0.000 0.757 498 L CB -1.172 41.097 42.059 0.351 0.000 0.899 498 L HN 0.043 nan 8.230 nan 0.000 0.434 499 S N -0.904 114.963 115.700 0.280 0.000 2.474 499 S HA -0.148 4.554 4.470 0.386 0.000 0.235 499 S C 1.979 176.622 174.600 0.072 0.000 0.997 499 S CA 0.594 58.912 58.200 0.198 0.000 0.949 499 S CB -0.168 63.102 63.200 0.117 0.000 0.766 499 S HN 0.258 nan 8.310 nan 0.000 0.517 500 M N 1.839 121.447 119.600 0.012 0.000 2.213 500 M HA 0.091 4.803 4.480 0.386 0.000 0.263 500 M C 2.538 178.536 176.300 -0.503 0.000 1.062 500 M CA 1.340 56.494 55.300 -0.244 0.000 1.105 500 M CB -1.931 30.575 32.600 -0.156 0.000 1.385 500 M HN 0.573 nan 8.290 nan 0.000 0.417 501 A N -0.829 121.725 122.820 -0.443 0.000 2.070 501 A HA -0.154 4.397 4.320 0.386 0.000 0.220 501 A C 1.669 178.908 177.584 -0.576 0.000 1.159 501 A CA 1.239 52.933 52.037 -0.572 0.000 0.656 501 A CB -0.824 17.939 19.000 -0.395 0.000 0.800 501 A HN 0.563 nan 8.150 nan 0.000 0.453 502 H N -1.650 117.321 119.070 -0.165 0.000 2.652 502 H HA 0.158 4.945 4.556 0.385 0.000 0.274 502 H C 0.541 175.779 175.328 -0.151 0.000 1.021 502 H CA -0.193 55.782 56.048 -0.121 0.000 1.187 502 H CB 0.087 29.814 29.762 -0.058 0.000 1.505 502 H HN 0.398 nan 8.280 nan 0.000 0.530 503 R N 2.834 123.235 120.500 -0.164 0.000 2.370 503 R HA 0.112 4.684 4.340 0.386 0.000 0.309 503 R C -2.502 173.668 176.300 -0.217 0.000 1.059 503 R CA -1.495 54.486 56.100 -0.198 0.000 0.981 503 R CB 0.290 30.397 30.300 -0.322 0.000 0.972 503 R HN -0.074 nan 8.270 nan 0.000 0.437 504 P HA -0.067 nan 4.420 nan 0.000 0.261 504 P C -0.288 176.925 177.300 -0.146 0.000 1.183 504 P CA 1.080 64.112 63.100 -0.115 0.000 0.761 504 P CB 0.879 32.537 31.700 -0.070 0.000 0.785 505 A N 2.821 125.554 122.820 -0.146 0.000 3.396 505 A HA -0.163 4.389 4.320 0.386 0.000 0.267 505 A C 0.964 178.431 177.584 -0.194 0.000 1.139 505 A CA 0.726 52.683 52.037 -0.134 0.000 1.115 505 A CB -2.436 16.515 19.000 -0.081 0.000 1.133 505 A HN 0.796 nan 8.150 nan 0.000 0.920 506 A N 0.155 122.762 122.820 -0.354 0.000 2.566 506 A HA 0.412 4.964 4.320 0.386 0.000 0.245 506 A C 0.464 177.818 177.584 -0.383 0.000 1.056 506 A CA 1.113 52.776 52.037 -0.624 0.000 0.757 506 A CB -0.127 18.159 19.000 -1.191 0.000 0.979 506 A HN 0.536 nan 8.150 nan 0.000 0.508 507 K N 3.296 123.609 120.400 -0.145 0.000 2.257 507 K HA 0.356 4.908 4.320 0.386 0.000 0.270 507 K C -0.961 175.682 176.600 0.071 0.000 1.098 507 K CA 0.038 56.312 56.287 -0.022 0.000 0.943 507 K CB 0.735 33.264 32.500 0.049 0.000 1.316 507 K HN 0.641 nan 8.250 nan 0.000 0.447 508 L N 5.623 126.788 121.223 -0.096 0.000 2.418 508 L HA 0.180 4.752 4.340 0.386 0.000 0.274 508 L C -1.641 175.304 176.870 0.125 0.000 1.135 508 L CA -1.884 52.890 54.840 -0.111 0.000 0.870 508 L CB -0.213 41.617 42.059 -0.381 0.000 1.154 508 L HN 0.346 nan 8.230 nan 0.000 0.462 509 P HA 0.031 nan 4.420 nan 0.000 0.269 509 P C -0.603 176.851 177.300 0.257 0.000 1.215 509 P CA -0.437 62.807 63.100 0.239 0.000 0.780 509 P CB 0.699 32.554 31.700 0.258 0.000 0.898 510 K N 1.947 122.407 120.400 0.100 0.000 2.382 510 K HA 0.220 4.772 4.320 0.386 0.000 0.275 510 K C -0.251 176.220 176.600 -0.215 0.000 1.009 510 K CA -0.078 56.151 56.287 -0.096 0.000 0.970 510 K CB -0.041 32.317 32.500 -0.237 0.000 0.934 510 K HN 0.389 nan 8.250 nan 0.000 0.479 511 I N 5.018 125.402 120.570 -0.310 0.000 2.404 511 I HA 0.315 4.717 4.170 0.386 0.000 0.293 511 I C -0.781 175.069 176.117 -0.445 0.000 0.992 511 I CA -0.690 60.453 61.300 -0.262 0.000 1.149 511 I CB 0.915 38.875 38.000 -0.067 0.000 1.315 511 I HN 0.476 nan 8.210 nan 0.000 0.446 512 F N 3.844 123.786 119.950 -0.013 0.000 2.598 512 F HA 0.520 5.278 4.527 0.384 0.000 0.327 512 F C 0.052 175.797 175.800 -0.092 0.000 1.057 512 F CA -0.728 57.269 58.000 -0.004 0.000 0.957 512 F CB 1.537 40.569 39.000 0.053 0.000 1.278 512 F HN 0.371 nan 8.300 nan 0.000 0.484 513 H N 1.204 120.165 119.070 -0.181 0.000 2.679 513 H HA 0.680 5.468 4.556 0.386 0.000 0.360 513 H C -1.629 173.493 175.328 -0.343 0.000 1.105 513 H CA -0.646 55.193 56.048 -0.348 0.000 1.196 513 H CB 1.981 31.276 29.762 -0.778 0.000 1.636 513 H HN 0.570 nan 8.280 nan 0.000 0.531 514 V N 2.807 122.376 119.914 -0.574 0.000 2.960 514 V HA 0.557 4.909 4.120 0.386 0.000 0.315 514 V C -0.522 175.113 176.094 -0.765 0.000 1.087 514 V CA -0.961 60.919 62.300 -0.700 0.000 0.982 514 V CB 1.952 33.083 31.823 -1.154 0.000 1.039 514 V HN 0.783 nan 8.190 nan 0.000 0.437 515 N N 1.552 119.825 118.700 -0.711 0.000 2.594 515 N HA 0.387 5.359 4.740 0.386 0.000 0.280 515 N C -0.439 174.780 175.510 -0.486 0.000 1.156 515 N CA -0.677 52.079 53.050 -0.489 0.000 0.831 515 N CB 0.997 39.404 38.487 -0.133 0.000 1.379 515 N HN 0.896 nan 8.380 nan 0.000 0.536 516 W N 1.915 122.879 121.300 -0.560 0.000 2.937 516 W HA 0.197 5.088 4.660 0.384 0.000 0.245 516 W C 0.152 176.154 176.519 -0.861 0.000 1.306 516 W CA -0.322 56.507 57.345 -0.861 0.000 1.470 516 W CB 0.118 28.763 29.460 -1.358 0.000 1.132 516 W HN 0.415 nan 8.180 nan 0.000 0.675 517 F N 0.100 120.073 119.950 0.039 0.000 2.668 517 F HA 0.297 5.056 4.527 0.385 0.000 0.301 517 F C 1.173 177.130 175.800 0.261 0.000 1.106 517 F CA -0.912 57.168 58.000 0.135 0.000 1.289 517 F CB -0.418 38.639 39.000 0.096 0.000 1.006 517 F HN -0.375 nan 8.300 nan 0.000 0.535 518 R N 2.110 122.743 120.500 0.222 0.000 2.489 518 R HA 0.225 4.796 4.340 0.386 0.000 0.287 518 R C -0.351 176.053 176.300 0.174 0.000 1.053 518 R CA 0.302 56.477 56.100 0.125 0.000 1.036 518 R CB 0.519 30.811 30.300 -0.013 0.000 0.966 518 R HN 0.159 nan 8.270 nan 0.000 0.432 519 K N 2.072 122.517 120.400 0.075 0.000 2.281 519 K HA 0.189 4.740 4.320 0.386 0.000 0.242 519 K C -0.666 175.921 176.600 -0.021 0.000 0.971 519 K CA -0.971 55.318 56.287 0.004 0.000 0.834 519 K CB 1.221 33.659 32.500 -0.103 0.000 1.181 519 K HN 0.623 nan 8.250 nan 0.000 0.435 520 D N 0.228 120.610 120.400 -0.029 0.000 2.447 520 D HA 0.009 4.881 4.640 0.386 0.000 0.265 520 D C 0.401 176.676 176.300 -0.040 0.000 1.250 520 D CA -0.317 53.667 54.000 -0.027 0.000 1.046 520 D CB 0.444 41.235 40.800 -0.015 0.000 1.095 520 D HN 0.373 nan 8.370 nan 0.000 0.555 521 K N -0.508 119.874 120.400 -0.030 0.000 2.504 521 K HA -0.025 4.527 4.320 0.386 0.000 0.195 521 K C 0.452 177.031 176.600 -0.035 0.000 1.036 521 K CA 0.603 56.872 56.287 -0.030 0.000 0.984 521 K CB -0.590 31.899 32.500 -0.019 0.000 0.788 521 K HN 0.384 nan 8.250 nan 0.000 0.488 522 N N 0.443 119.118 118.700 -0.040 0.000 2.325 522 N HA 0.033 5.005 4.740 0.386 0.000 0.182 522 N C 0.705 176.173 175.510 -0.071 0.000 1.088 522 N CA 0.379 53.401 53.050 -0.046 0.000 0.879 522 N CB 0.870 39.335 38.487 -0.037 0.000 0.983 522 N HN 0.363 nan 8.380 nan 0.000 0.471 523 G N 1.292 110.035 108.800 -0.095 0.000 2.141 523 G HA2 -0.287 3.905 3.960 0.386 0.000 0.231 523 G HA3 -0.287 3.905 3.960 0.386 0.000 0.231 523 G C -0.032 174.717 174.900 -0.252 0.000 0.984 523 G CA -0.251 44.755 45.100 -0.156 0.000 0.660 523 G HN 0.309 nan 8.290 nan 0.000 0.525 524 K N 0.325 120.615 120.400 -0.183 0.000 2.172 524 K HA 0.586 5.138 4.320 0.386 0.000 0.276 524 K C 0.052 176.568 176.600 -0.141 0.000 1.013 524 K CA -0.918 55.257 56.287 -0.186 0.000 0.913 524 K CB 0.273 32.733 32.500 -0.065 0.000 1.055 524 K HN -0.082 nan 8.250 nan 0.000 0.461 525 F N 4.001 123.965 119.950 0.024 0.000 2.608 525 F HA -0.029 4.730 4.527 0.387 0.000 0.380 525 F C 1.390 177.203 175.800 0.022 0.000 1.083 525 F CA 0.194 58.211 58.000 0.028 0.000 1.266 525 F CB 0.220 39.230 39.000 0.017 0.000 1.076 525 F HN 0.501 nan 8.300 nan 0.000 0.574 526 L N 3.121 124.490 121.223 0.245 0.000 2.492 526 L HA -0.026 4.546 4.340 0.386 0.000 0.223 526 L C 0.275 177.287 176.870 0.237 0.000 1.132 526 L CA 0.449 55.391 54.840 0.171 0.000 0.850 526 L CB 0.041 42.168 42.059 0.113 0.000 0.966 526 L HN 0.572 nan 8.230 nan 0.000 0.454 527 W N 1.534 122.824 121.300 -0.016 0.000 2.683 527 W HA 0.266 5.158 4.660 0.385 0.000 0.329 527 W C -1.950 174.463 176.519 -0.176 0.000 1.037 527 W CA -1.699 55.584 57.345 -0.103 0.000 1.232 527 W CB 2.039 31.417 29.460 -0.138 0.000 1.390 527 W HN -0.174 nan 8.180 nan 0.000 0.465 528 P HA -0.027 nan 4.420 nan 0.000 0.220 528 P C 1.032 177.880 177.300 -0.752 0.000 1.148 528 P CA 1.947 64.676 63.100 -0.619 0.000 0.803 528 P CB 0.514 31.847 31.700 -0.612 0.000 0.782 529 G N -0.392 107.788 108.800 -1.033 0.000 2.575 529 G HA2 -0.274 3.917 3.960 0.386 0.000 0.267 529 G HA3 -0.274 3.917 3.960 0.386 0.000 0.267 529 G C 0.110 174.603 174.900 -0.678 0.000 1.264 529 G CA -0.047 44.541 45.100 -0.854 0.000 0.935 529 G HN 0.156 nan 8.290 nan 0.000 0.568 530 F N -1.897 117.781 119.950 -0.454 0.000 2.512 530 F HA -0.280 4.478 4.527 0.385 0.000 0.290 530 F C 2.656 178.264 175.800 -0.319 0.000 1.459 530 F CA 2.620 60.420 58.000 -0.333 0.000 1.366 530 F CB -1.772 37.084 39.000 -0.241 0.000 3.242 530 F HN 1.675 nan 8.300 nan 0.000 0.190 531 G N -0.265 108.538 108.800 0.005 0.000 2.470 531 G HA2 -0.144 4.048 3.960 0.386 0.000 0.220 531 G HA3 -0.144 4.048 3.960 0.386 0.000 0.220 531 G C 1.144 175.960 174.900 -0.140 0.000 1.121 531 G CA 1.114 46.166 45.100 -0.080 0.000 0.766 531 G HN 0.551 nan 8.290 nan 0.000 0.553 532 E N 1.220 121.297 120.200 -0.204 0.000 2.347 532 E HA -0.056 4.526 4.350 0.386 0.000 0.196 532 E C 1.870 178.415 176.600 -0.091 0.000 1.008 532 E CA 0.191 56.444 56.400 -0.246 0.000 0.852 532 E CB -0.245 29.139 29.700 -0.528 0.000 0.783 532 E HN 0.319 nan 8.360 nan 0.000 0.505 533 N N 1.038 119.623 118.700 -0.192 0.000 2.443 533 N HA -0.117 4.855 4.740 0.386 0.000 0.184 533 N C 1.705 177.135 175.510 -0.134 0.000 1.037 533 N CA 1.084 53.977 53.050 -0.262 0.000 0.896 533 N CB -0.303 37.675 38.487 -0.849 0.000 0.959 533 N HN 0.202 nan 8.380 nan 0.000 0.442 534 S N 0.598 116.210 115.700 -0.146 0.000 2.419 534 S HA -0.090 4.612 4.470 0.386 0.000 0.235 534 S C 1.826 176.249 174.600 -0.295 0.000 1.019 534 S CA 0.591 58.660 58.200 -0.218 0.000 0.982 534 S CB -0.146 62.911 63.200 -0.238 0.000 0.789 534 S HN 0.283 nan 8.310 nan 0.000 0.490 535 R N 0.546 120.974 120.500 -0.120 0.000 2.092 535 R HA 0.082 4.654 4.340 0.386 0.000 0.231 535 R C 2.281 178.586 176.300 0.008 0.000 1.119 535 R CA 1.274 57.344 56.100 -0.050 0.000 0.970 535 R CB -0.684 29.712 30.300 0.161 0.000 0.864 535 R HN 0.342 nan 8.270 nan 0.000 0.440 536 V N 1.506 121.456 119.914 0.060 0.000 2.358 536 V HA -0.196 4.156 4.120 0.386 0.000 0.246 536 V C 2.254 178.394 176.094 0.076 0.000 1.047 536 V CA 1.577 63.931 62.300 0.090 0.000 1.035 536 V CB -0.399 31.527 31.823 0.171 0.000 0.658 536 V HN 0.277 nan 8.190 nan 0.000 0.452 537 L N -0.027 121.191 121.223 -0.008 0.000 2.083 537 L HA -0.217 4.354 4.340 0.386 0.000 0.209 537 L C 2.584 179.397 176.870 -0.095 0.000 1.083 537 L CA 2.070 56.883 54.840 -0.045 0.000 0.752 537 L CB -0.677 41.356 42.059 -0.043 0.000 0.899 537 L HN 0.467 nan 8.230 nan 0.000 0.433 538 E N -0.032 119.965 120.200 -0.338 0.000 2.085 538 E HA -0.307 4.275 4.350 0.386 0.000 0.194 538 E C 2.125 178.771 176.600 0.076 0.000 0.994 538 E CA 1.831 58.005 56.400 -0.376 0.000 0.801 538 E CB -0.284 29.062 29.700 -0.589 0.000 0.743 538 E HN 0.472 nan 8.360 nan 0.000 0.453 539 W N 0.857 122.115 121.300 -0.070 0.000 2.358 539 W HA -0.141 4.750 4.660 0.385 0.000 0.303 539 W C 2.084 178.604 176.519 0.002 0.000 1.208 539 W CA 1.835 59.177 57.345 -0.005 0.000 1.274 539 W CB -0.200 29.246 29.460 -0.024 0.000 1.138 539 W HN 0.084 nan 8.180 nan 0.000 0.515 540 M N -0.992 118.529 119.600 -0.131 0.000 2.117 540 M HA -0.191 4.520 4.480 0.386 0.000 0.262 540 M C 2.149 178.379 176.300 -0.116 0.000 1.065 540 M CA 1.851 56.853 55.300 -0.497 0.000 1.114 540 M CB -1.032 31.114 32.600 -0.757 0.000 1.361 540 M HN 0.022 nan 8.290 nan 0.000 0.408 541 F N 0.888 120.794 119.950 -0.074 0.000 2.095 541 F HA -0.136 4.623 4.527 0.386 0.000 0.298 541 F C 2.276 178.092 175.800 0.027 0.000 1.104 541 F CA 1.934 59.973 58.000 0.066 0.000 1.232 541 F CB -0.846 38.308 39.000 0.256 0.000 0.987 541 F HN 0.094 nan 8.300 nan 0.000 0.475 542 G N -0.053 108.907 108.800 0.266 0.000 2.418 542 G HA2 -0.209 3.982 3.960 0.386 0.000 0.217 542 G HA3 -0.209 3.982 3.960 0.386 0.000 0.217 542 G C 1.863 176.726 174.900 -0.060 0.000 1.158 542 G CA 0.398 45.569 45.100 0.119 0.000 0.771 542 G HN 0.138 nan 8.290 nan 0.000 0.545 543 R N 0.307 120.663 120.500 -0.239 0.000 2.081 543 R HA 0.038 4.610 4.340 0.386 0.000 0.235 543 R C 2.610 178.858 176.300 -0.086 0.000 1.131 543 R CA 0.772 56.717 56.100 -0.258 0.000 0.960 543 R CB -0.875 29.158 30.300 -0.445 0.000 0.856 543 R HN 0.461 nan 8.270 nan 0.000 0.436 544 I N 1.002 121.563 120.570 -0.015 0.000 2.208 544 I HA -0.254 4.147 4.170 0.386 0.000 0.245 544 I C 1.869 177.952 176.117 -0.056 0.000 1.097 544 I CA 1.401 62.687 61.300 -0.024 0.000 1.363 544 I CB -0.332 37.635 38.000 -0.054 0.000 1.051 544 I HN 0.209 nan 8.210 nan 0.000 0.413 545 E N 0.460 120.629 120.200 -0.051 0.000 2.472 545 E HA -0.068 4.513 4.350 0.386 0.000 0.200 545 E C 1.437 178.030 176.600 -0.011 0.000 1.046 545 E CA 0.635 57.026 56.400 -0.015 0.000 0.871 545 E CB 0.004 29.738 29.700 0.057 0.000 0.806 545 E HN 0.676 nan 8.360 nan 0.000 0.533 546 G N 1.578 110.358 108.800 -0.033 0.000 2.144 546 G HA2 -0.219 3.973 3.960 0.386 0.000 0.218 546 G HA3 -0.219 3.973 3.960 0.386 0.000 0.218 546 G C -0.035 174.841 174.900 -0.039 0.000 0.988 546 G CA -0.290 44.786 45.100 -0.039 0.000 0.659 546 G HN 0.156 nan 8.290 nan 0.000 0.522 547 E N 0.493 120.670 120.200 -0.038 0.000 2.452 547 E HA 0.099 4.681 4.350 0.386 0.000 0.261 547 E C -0.079 176.497 176.600 -0.040 0.000 0.987 547 E CA 0.114 56.499 56.400 -0.024 0.000 0.926 547 E CB 0.597 30.288 29.700 -0.016 0.000 0.934 547 E HN 0.217 nan 8.360 nan 0.000 0.452 548 D N 1.445 121.842 120.400 -0.005 0.000 3.085 548 D HA 0.003 4.875 4.640 0.386 0.000 0.243 548 D C 0.396 176.724 176.300 0.046 0.000 1.232 548 D CA 0.078 54.080 54.000 0.003 0.000 0.913 548 D CB -0.335 40.473 40.800 0.013 0.000 1.108 548 D HN 0.209 nan 8.370 nan 0.000 0.468 549 S N -1.178 114.564 115.700 0.070 0.000 2.602 549 S HA 0.557 5.259 4.470 0.386 0.000 0.240 549 S C 0.551 175.377 174.600 0.376 0.000 0.992 549 S CA -0.642 57.681 58.200 0.204 0.000 0.971 549 S CB 0.651 63.989 63.200 0.230 0.000 0.855 549 S HN 0.230 nan 8.310 nan 0.000 0.481 550 A N 1.632 124.603 122.820 0.252 0.000 2.356 550 A HA 0.792 5.344 4.320 0.386 0.000 0.323 550 A C -0.445 177.289 177.584 0.250 0.000 1.119 550 A CA -0.879 51.369 52.037 0.352 0.000 0.790 550 A CB 1.428 20.580 19.000 0.252 0.000 1.273 550 A HN 0.428 nan 8.150 nan 0.000 0.452 551 K N 2.313 122.887 120.400 0.289 0.000 2.378 551 K HA 0.513 5.065 4.320 0.386 0.000 0.252 551 K C -1.336 175.436 176.600 0.288 0.000 0.931 551 K CA -0.628 55.790 56.287 0.218 0.000 0.794 551 K CB 1.441 33.994 32.500 0.088 0.000 1.181 551 K HN 0.670 nan 8.250 nan 0.000 0.425 552 L N 4.683 126.042 121.223 0.227 0.000 2.367 552 L HA 0.233 4.804 4.340 0.386 0.000 0.275 552 L C -0.300 176.544 176.870 -0.042 0.000 1.129 552 L CA 0.619 55.485 54.840 0.044 0.000 0.839 552 L CB 0.927 42.993 42.059 0.011 0.000 1.133 552 L HN 1.069 nan 8.230 nan 0.000 0.453 553 T N 1.462 115.939 114.554 -0.128 0.000 2.887 553 T HA 0.494 5.075 4.350 0.386 0.000 0.292 553 T C -2.159 172.397 174.700 -0.239 0.000 1.087 553 T CA -1.537 60.470 62.100 -0.156 0.000 1.009 553 T CB 1.821 70.598 68.868 -0.151 0.000 1.203 553 T HN 0.341 nan 8.240 nan 0.000 0.518 554 P HA 0.036 nan 4.420 nan 0.000 0.221 554 P C 1.387 178.449 177.300 -0.397 0.000 1.145 554 P CA 0.807 63.731 63.100 -0.294 0.000 0.795 554 P CB -0.243 31.296 31.700 -0.268 0.000 0.775 555 I N -6.350 113.909 120.570 -0.518 0.000 3.860 555 I HA 0.457 4.859 4.170 0.386 0.000 0.319 555 I C 0.850 176.776 176.117 -0.318 0.000 1.279 555 I CA 0.138 61.057 61.300 -0.635 0.000 1.220 555 I CB 0.136 37.382 38.000 -1.257 0.000 1.027 555 I HN -0.053 nan 8.210 nan 0.000 0.428 556 G N 0.518 109.181 108.800 -0.229 0.000 2.320 556 G HA2 0.058 4.249 3.960 0.386 0.000 0.274 556 G HA3 0.058 4.249 3.960 0.386 0.000 0.274 556 G C -1.629 173.218 174.900 -0.088 0.000 1.324 556 G CA -0.911 44.161 45.100 -0.046 0.000 0.957 556 G HN 0.148 nan 8.290 nan 0.000 0.481 557 Y N 0.149 120.615 120.300 0.277 0.000 2.304 557 Y HA 0.507 5.288 4.550 0.385 0.000 0.328 557 Y C 1.190 177.308 175.900 0.363 0.000 1.123 557 Y CA 0.077 58.353 58.100 0.294 0.000 1.218 557 Y CB 1.622 40.294 38.460 0.353 0.000 1.207 557 Y HN 0.674 nan 8.280 nan 0.000 0.495 558 V N 0.686 120.812 119.914 0.354 0.000 3.046 558 V HA 0.710 5.062 4.120 0.386 0.000 0.316 558 V C -2.939 173.068 176.094 -0.145 0.000 1.104 558 V CA -3.570 58.763 62.300 0.055 0.000 1.006 558 V CB 1.856 33.672 31.823 -0.012 0.000 1.058 558 V HN 0.442 nan 8.190 nan 0.000 0.440 559 P HA 0.187 nan 4.420 nan 0.000 0.265 559 P C -0.418 176.695 177.300 -0.312 0.000 1.193 559 P CA 0.051 62.749 63.100 -0.669 0.000 0.765 559 P CB 0.238 31.226 31.700 -1.186 0.000 0.823 560 K N 1.611 121.989 120.400 -0.036 0.000 2.344 560 K HA -0.051 4.501 4.320 0.386 0.000 0.260 560 K C 0.612 177.145 176.600 -0.112 0.000 0.988 560 K CA 0.111 56.379 56.287 -0.032 0.000 0.909 560 K CB 0.181 32.714 32.500 0.054 0.000 0.968 560 K HN 0.494 nan 8.250 nan 0.000 0.505 561 E N 1.487 121.639 120.200 -0.079 0.000 2.465 561 E HA -0.182 4.400 4.350 0.386 0.000 0.260 561 E C -0.592 175.987 176.600 -0.035 0.000 0.980 561 E CA 0.328 56.687 56.400 -0.069 0.000 0.927 561 E CB 0.186 29.865 29.700 -0.035 0.000 0.934 561 E HN 0.510 nan 8.360 nan 0.000 0.459 562 D N 1.573 121.952 120.400 -0.036 0.000 2.911 562 D HA -0.287 4.584 4.640 0.386 0.000 0.199 562 D C 0.820 177.132 176.300 0.020 0.000 1.041 562 D CA 1.173 55.173 54.000 0.000 0.000 1.013 562 D CB -1.387 39.423 40.800 0.016 0.000 1.093 562 D HN 0.489 nan 8.370 nan 0.000 0.431 563 A N -0.051 122.775 122.820 0.010 0.000 1.898 563 A HA 0.054 4.606 4.320 0.386 0.000 0.216 563 A C 1.192 178.833 177.584 0.095 0.000 1.181 563 A CA 0.655 52.746 52.037 0.089 0.000 0.620 563 A CB -0.019 19.073 19.000 0.153 0.000 0.819 563 A HN 0.219 nan 8.150 nan 0.000 0.442 564 L N 1.164 122.372 121.223 -0.025 0.000 2.410 564 L HA 0.185 4.757 4.340 0.386 0.000 0.273 564 L C 0.126 177.035 176.870 0.064 0.000 1.144 564 L CA -0.256 54.582 54.840 -0.002 0.000 0.863 564 L CB 0.111 42.115 42.059 -0.092 0.000 1.140 564 L HN 0.324 nan 8.230 nan 0.000 0.463 565 N N 5.152 123.906 118.700 0.090 0.000 2.406 565 N HA 0.075 5.047 4.740 0.386 0.000 0.265 565 N C -0.132 175.435 175.510 0.094 0.000 1.203 565 N CA 0.293 53.392 53.050 0.081 0.000 0.945 565 N CB 0.225 38.750 38.487 0.064 0.000 1.165 565 N HN 0.659 nan 8.380 nan 0.000 0.485 566 L N 2.584 123.857 121.223 0.083 0.000 3.014 566 L HA 0.266 4.838 4.340 0.386 0.000 0.263 566 L C 0.449 177.342 176.870 0.038 0.000 1.207 566 L CA -0.251 54.638 54.840 0.082 0.000 1.017 566 L CB 0.064 42.186 42.059 0.105 0.000 1.360 566 L HN 0.224 nan 8.230 nan 0.000 0.560 567 K N 1.047 121.466 120.400 0.032 0.000 2.379 567 K HA 0.363 4.914 4.320 0.386 0.000 0.284 567 K C 1.120 177.721 176.600 0.001 0.000 1.044 567 K CA 0.718 57.017 56.287 0.019 0.000 0.974 567 K CB 0.819 33.336 32.500 0.028 0.000 0.962 567 K HN 0.261 nan 8.250 nan 0.000 0.474 568 G N 1.767 110.562 108.800 -0.008 0.000 2.234 568 G HA2 -0.240 3.952 3.960 0.386 0.000 0.235 568 G HA3 -0.240 3.952 3.960 0.386 0.000 0.235 568 G C 0.169 175.043 174.900 -0.043 0.000 0.997 568 G CA -0.182 44.904 45.100 -0.024 0.000 0.623 568 G HN 0.402 nan 8.290 nan 0.000 0.514 569 L N 0.987 122.182 121.223 -0.045 0.000 2.564 569 L HA 0.761 5.332 4.340 0.386 0.000 0.158 569 L C 1.885 178.734 176.870 -0.035 0.000 1.506 569 L CA 1.510 56.310 54.840 -0.067 0.000 3.117 569 L CB -1.068 40.937 42.059 -0.090 0.000 2.996 569 L HN 1.743 nan 8.230 nan 0.000 0.992 570 G N 0.460 109.250 108.800 -0.017 0.000 3.000 570 G HA2 -0.177 4.014 3.960 0.386 0.000 0.686 570 G HA3 -0.177 4.014 3.960 0.386 0.000 0.686 570 G C -0.764 174.132 174.900 -0.007 0.000 1.114 570 G CA -0.208 44.893 45.100 0.001 0.000 0.902 570 G HN 0.520 nan 8.290 nan 0.000 0.564 571 D N 0.685 121.087 120.400 0.004 0.000 2.359 571 D HA 0.434 5.306 4.640 0.386 0.000 0.230 571 D C 0.366 176.685 176.300 0.032 0.000 1.118 571 D CA -0.099 53.913 54.000 0.020 0.000 0.844 571 D CB 1.552 42.364 40.800 0.020 0.000 1.059 571 D HN 0.695 nan 8.370 nan 0.000 0.493 572 V N 4.854 124.801 119.914 0.055 0.000 2.432 572 V HA 0.269 4.621 4.120 0.386 0.000 0.275 572 V C 0.118 176.278 176.094 0.111 0.000 1.043 572 V CA -0.761 61.595 62.300 0.094 0.000 0.925 572 V CB 1.238 33.154 31.823 0.154 0.000 0.985 572 V HN 0.501 nan 8.190 nan 0.000 0.466 573 N N 5.564 124.326 118.700 0.104 0.000 2.819 573 N HA 0.063 5.035 4.740 0.386 0.000 0.284 573 N C 0.857 176.442 175.510 0.125 0.000 1.196 573 N CA 0.283 53.389 53.050 0.093 0.000 1.114 573 N CB 0.570 39.097 38.487 0.067 0.000 1.437 573 N HN 0.593 nan 8.380 nan 0.000 0.518 574 V N 2.036 122.043 119.914 0.155 0.000 2.515 574 V HA -0.207 4.144 4.120 0.386 0.000 0.250 574 V C 1.747 177.978 176.094 0.228 0.000 1.058 574 V CA 1.460 63.904 62.300 0.241 0.000 1.064 574 V CB -0.396 31.542 31.823 0.192 0.000 0.675 574 V HN 0.468 nan 8.190 nan 0.000 0.461 575 E N 0.417 120.694 120.200 0.129 0.000 2.038 575 E HA -0.222 4.360 4.350 0.386 0.000 0.195 575 E C 2.279 178.933 176.600 0.089 0.000 1.000 575 E CA 1.686 58.145 56.400 0.098 0.000 0.803 575 E CB -0.240 29.497 29.700 0.060 0.000 0.750 575 E HN 0.642 nan 8.360 nan 0.000 0.448 576 E N 0.128 120.366 120.200 0.064 0.000 2.072 576 E HA -0.115 4.467 4.350 0.386 0.000 0.191 576 E C 2.192 178.789 176.600 -0.005 0.000 0.985 576 E CA 0.459 56.876 56.400 0.028 0.000 0.801 576 E CB -0.105 29.606 29.700 0.019 0.000 0.750 576 E HN 0.205 nan 8.360 nan 0.000 0.452 577 L N -0.273 120.944 121.223 -0.009 0.000 2.079 577 L HA -0.184 4.388 4.340 0.386 0.000 0.210 577 L C 1.502 178.142 176.870 -0.383 0.000 1.081 577 L CA 1.235 55.964 54.840 -0.185 0.000 0.752 577 L CB -0.029 41.909 42.059 -0.202 0.000 0.896 577 L HN 0.135 nan 8.230 nan 0.000 0.433 578 F N -0.928 118.997 119.950 -0.042 0.000 2.653 578 F HA 0.255 5.014 4.527 0.386 0.000 0.304 578 F C 1.509 177.290 175.800 -0.031 0.000 1.092 578 F CA -0.466 57.503 58.000 -0.050 0.000 1.279 578 F CB -0.173 38.780 39.000 -0.078 0.000 1.044 578 F HN -0.120 nan 8.300 nan 0.000 0.564 579 G N 1.785 110.640 108.800 0.091 0.000 2.305 579 G HA2 0.306 4.498 3.960 0.386 0.000 0.243 579 G HA3 0.306 4.498 3.960 0.386 0.000 0.243 579 G C -0.366 174.574 174.900 0.067 0.000 1.288 579 G CA -0.073 45.065 45.100 0.063 0.000 0.901 579 G HN 0.232 nan 8.290 nan 0.000 0.516 580 I N 1.719 122.334 120.570 0.076 0.000 2.410 580 I HA 0.217 4.619 4.170 0.386 0.000 0.286 580 I C 0.222 176.436 176.117 0.162 0.000 1.009 580 I CA -0.503 60.869 61.300 0.119 0.000 1.111 580 I CB 1.977 39.950 38.000 -0.046 0.000 1.262 580 I HN 0.475 nan 8.210 nan 0.000 0.443 581 S N 5.909 121.787 115.700 0.298 0.000 2.442 581 S HA 0.248 4.950 4.470 0.386 0.000 0.297 581 S C 1.014 175.819 174.600 0.342 0.000 1.131 581 S CA -0.593 57.757 58.200 0.251 0.000 1.092 581 S CB 1.334 64.651 63.200 0.195 0.000 0.998 581 S HN 0.754 nan 8.310 nan 0.000 0.478 582 K N 3.338 123.862 120.400 0.206 0.000 2.020 582 K HA -0.183 4.369 4.320 0.386 0.000 0.212 582 K C 1.353 178.066 176.600 0.187 0.000 1.050 582 K CA 2.206 58.602 56.287 0.181 0.000 0.929 582 K CB -0.210 32.349 32.500 0.099 0.000 0.714 582 K HN 0.694 nan 8.250 nan 0.000 0.443 583 E N 0.111 120.398 120.200 0.146 0.000 2.058 583 E HA -0.192 4.390 4.350 0.386 0.000 0.194 583 E C 1.652 178.309 176.600 0.095 0.000 0.997 583 E CA 1.532 57.993 56.400 0.101 0.000 0.801 583 E CB -0.388 29.360 29.700 0.080 0.000 0.746 583 E HN 0.390 nan 8.360 nan 0.000 0.450 584 F N -0.895 119.051 119.950 -0.006 0.000 2.102 584 F HA -0.169 4.589 4.527 0.385 0.000 0.298 584 F C 1.605 177.268 175.800 -0.227 0.000 1.105 584 F CA 1.475 59.390 58.000 -0.142 0.000 1.239 584 F CB -0.225 38.652 39.000 -0.205 0.000 0.991 584 F HN 0.038 nan 8.300 nan 0.000 0.474 585 W N 1.047 122.429 121.300 0.136 0.000 2.467 585 W HA -0.015 4.876 4.660 0.385 0.000 0.275 585 W C 2.345 178.834 176.519 -0.051 0.000 1.239 585 W CA 1.132 58.500 57.345 0.038 0.000 1.266 585 W CB -0.445 29.077 29.460 0.103 0.000 1.112 585 W HN 0.046 nan 8.180 nan 0.000 0.576 586 E N 0.466 120.742 120.200 0.127 0.000 2.058 586 E HA -0.282 4.299 4.350 0.386 0.000 0.194 586 E C 1.970 178.546 176.600 -0.040 0.000 0.997 586 E CA 1.512 57.941 56.400 0.048 0.000 0.801 586 E CB -0.198 29.524 29.700 0.036 0.000 0.746 586 E HN -0.012 nan 8.360 nan 0.000 0.450 587 K N 1.382 121.697 120.400 -0.142 0.000 2.057 587 K HA -0.206 4.345 4.320 0.386 0.000 0.207 587 K C 1.939 178.369 176.600 -0.282 0.000 1.049 587 K CA 1.585 57.742 56.287 -0.216 0.000 0.931 587 K CB -0.114 32.210 32.500 -0.293 0.000 0.714 587 K HN -0.083 nan 8.250 nan 0.000 0.440 588 E N -0.071 119.850 120.200 -0.464 0.000 2.058 588 E HA -0.139 4.443 4.350 0.386 0.000 0.194 588 E C 1.880 178.408 176.600 -0.120 0.000 0.997 588 E CA 1.357 57.475 56.400 -0.470 0.000 0.801 588 E CB -0.522 28.686 29.700 -0.821 0.000 0.746 588 E HN 0.125 nan 8.360 nan 0.000 0.450 589 V N 0.304 120.235 119.914 0.027 0.000 2.515 589 V HA -0.195 4.157 4.120 0.386 0.000 0.250 589 V C 2.170 178.314 176.094 0.084 0.000 1.058 589 V CA 2.219 64.600 62.300 0.135 0.000 1.064 589 V CB -0.282 31.648 31.823 0.177 0.000 0.675 589 V HN 0.335 nan 8.190 nan 0.000 0.461 590 E N 0.209 120.422 120.200 0.023 0.000 2.077 590 E HA -0.211 4.371 4.350 0.386 0.000 0.193 590 E C 2.133 178.752 176.600 0.031 0.000 0.989 590 E CA 1.671 58.081 56.400 0.017 0.000 0.800 590 E CB -0.265 29.427 29.700 -0.013 0.000 0.746 590 E HN 0.578 nan 8.360 nan 0.000 0.452 591 E N 0.176 120.381 120.200 0.008 0.000 2.106 591 E HA -0.117 4.465 4.350 0.386 0.000 0.192 591 E C 2.319 179.011 176.600 0.154 0.000 0.984 591 E CA 0.963 57.396 56.400 0.056 0.000 0.806 591 E CB -0.268 29.428 29.700 -0.006 0.000 0.750 591 E HN 0.449 nan 8.360 nan 0.000 0.458 592 I N 1.432 122.092 120.570 0.150 0.000 2.179 592 I HA -0.258 4.144 4.170 0.386 0.000 0.242 592 I C 2.395 178.635 176.117 0.204 0.000 1.088 592 I CA 1.271 62.699 61.300 0.213 0.000 1.357 592 I CB -0.313 37.805 38.000 0.196 0.000 1.051 592 I HN 0.023 nan 8.210 nan 0.000 0.409 593 D N 1.600 122.096 120.400 0.160 0.000 2.106 593 D HA -0.226 4.646 4.640 0.386 0.000 0.191 593 D C 2.111 178.458 176.300 0.078 0.000 0.997 593 D CA 1.726 55.796 54.000 0.116 0.000 0.834 593 D CB -0.025 40.824 40.800 0.081 0.000 0.956 593 D HN 0.206 nan 8.370 nan 0.000 0.448 594 K N -1.081 119.361 120.400 0.070 0.000 2.063 594 K HA -0.200 4.352 4.320 0.386 0.000 0.208 594 K C 2.331 178.945 176.600 0.023 0.000 1.048 594 K CA 1.187 57.498 56.287 0.040 0.000 0.928 594 K CB -0.382 32.144 32.500 0.043 0.000 0.713 594 K HN 0.281 nan 8.250 nan 0.000 0.442 595 Y N 1.682 121.917 120.300 -0.107 0.000 2.133 595 Y HA -0.182 4.598 4.550 0.383 0.000 0.287 595 Y C 1.836 177.654 175.900 -0.136 0.000 1.134 595 Y CA 1.379 59.336 58.100 -0.239 0.000 1.133 595 Y CB -0.268 37.820 38.460 -0.620 0.000 0.987 595 Y HN -0.085 nan 8.280 nan 0.000 0.502 596 L N 0.212 121.397 121.223 -0.063 0.000 2.046 596 L HA -0.200 4.372 4.340 0.386 0.000 0.208 596 L C 2.595 179.395 176.870 -0.118 0.000 1.077 596 L CA 1.875 56.662 54.840 -0.089 0.000 0.747 596 L CB -0.668 41.445 42.059 0.089 0.000 0.896 596 L HN 0.340 nan 8.230 nan 0.000 0.432 597 E N 0.358 120.517 120.200 -0.068 0.000 2.058 597 E HA -0.299 4.283 4.350 0.386 0.000 0.194 597 E C 1.727 178.268 176.600 -0.098 0.000 0.997 597 E CA 1.905 58.268 56.400 -0.062 0.000 0.801 597 E CB 0.073 29.754 29.700 -0.031 0.000 0.746 597 E HN 0.414 nan 8.360 nan 0.000 0.450 598 D N -0.382 119.937 120.400 -0.134 0.000 2.085 598 D HA -0.147 4.725 4.640 0.386 0.000 0.199 598 D C 2.025 178.211 176.300 -0.190 0.000 0.981 598 D CA 1.219 55.135 54.000 -0.140 0.000 0.834 598 D CB -0.004 40.719 40.800 -0.128 0.000 0.992 598 D HN 0.088 nan 8.370 nan 0.000 0.457 599 Q N -0.377 119.226 119.800 -0.328 0.000 2.187 599 Q HA 0.023 4.595 4.340 0.386 0.000 0.199 599 Q C 2.226 178.095 176.000 -0.218 0.000 0.957 599 Q CA 0.668 56.262 55.803 -0.348 0.000 0.857 599 Q CB 0.485 28.810 28.738 -0.689 0.000 0.929 599 Q HN 0.324 nan 8.270 nan 0.000 0.453 600 V N 0.162 119.962 119.914 -0.189 0.000 2.788 600 V HA 0.007 4.359 4.120 0.386 0.000 0.241 600 V C 1.216 177.248 176.094 -0.103 0.000 1.083 600 V CA 0.679 62.908 62.300 -0.118 0.000 1.103 600 V CB -0.428 31.328 31.823 -0.111 0.000 0.800 600 V HN 0.279 nan 8.190 nan 0.000 0.476 601 N N 1.091 119.734 118.700 -0.095 0.000 1.424 601 N HA -0.386 4.586 4.740 0.386 0.000 0.147 601 N C 1.188 176.666 175.510 -0.054 0.000 0.709 601 N CA 2.642 55.649 53.050 -0.071 0.000 1.052 601 N CB -1.558 36.885 38.487 -0.074 0.000 1.281 601 N HN 0.428 nan 8.380 nan 0.000 0.478 602 A N -0.590 122.200 122.820 -0.051 0.000 2.119 602 A HA -0.020 4.532 4.320 0.386 0.000 0.217 602 A C 1.148 178.711 177.584 -0.035 0.000 1.153 602 A CA 1.927 53.943 52.037 -0.036 0.000 0.692 602 A CB -0.297 18.681 19.000 -0.037 0.000 0.799 602 A HN 0.586 nan 8.150 nan 0.000 0.458 603 D N -0.807 119.561 120.400 -0.053 0.000 2.340 603 D HA 0.130 5.001 4.640 0.386 0.000 0.217 603 D C -0.079 176.177 176.300 -0.073 0.000 1.081 603 D CA -0.115 53.850 54.000 -0.058 0.000 0.842 603 D CB 0.135 40.891 40.800 -0.073 0.000 0.934 603 D HN 0.321 nan 8.370 nan 0.000 0.511 604 L N 2.611 123.798 121.223 -0.061 0.000 2.433 604 L HA 0.238 4.809 4.340 0.386 0.000 0.275 604 L C -2.312 174.556 176.870 -0.003 0.000 1.128 604 L CA -1.237 53.570 54.840 -0.055 0.000 0.875 604 L CB 0.369 42.407 42.059 -0.035 0.000 1.171 604 L HN -0.265 nan 8.230 nan 0.000 0.463 605 P HA -0.003 nan 4.420 nan 0.000 0.268 605 P C 0.088 177.463 177.300 0.125 0.000 1.205 605 P CA 0.005 63.151 63.100 0.077 0.000 0.771 605 P CB 0.319 32.068 31.700 0.081 0.000 0.858 606 Y N 2.512 122.829 120.300 0.027 0.000 2.096 606 Y HA -0.323 4.458 4.550 0.385 0.000 0.278 606 Y C 1.920 177.847 175.900 0.045 0.000 1.192 606 Y CA 2.057 60.175 58.100 0.030 0.000 1.143 606 Y CB -0.241 38.235 38.460 0.026 0.000 0.963 606 Y HN 0.473 nan 8.280 nan 0.000 0.505 607 E N -0.707 119.634 120.200 0.235 0.000 2.204 607 E HA -0.191 4.391 4.350 0.386 0.000 0.194 607 E C 2.015 178.672 176.600 0.094 0.000 0.989 607 E CA 1.025 57.523 56.400 0.164 0.000 0.824 607 E CB -0.074 29.761 29.700 0.225 0.000 0.756 607 E HN 0.447 nan 8.360 nan 0.000 0.477 608 I N 1.008 121.644 120.570 0.110 0.000 2.233 608 I HA -0.184 4.218 4.170 0.386 0.000 0.243 608 I C 2.486 178.659 176.117 0.094 0.000 1.093 608 I CA 1.165 62.560 61.300 0.158 0.000 1.380 608 I CB -1.035 37.063 38.000 0.163 0.000 1.067 608 I HN 0.093 nan 8.210 nan 0.000 0.413 609 E N 1.638 121.842 120.200 0.006 0.000 2.085 609 E HA -0.265 4.317 4.350 0.386 0.000 0.194 609 E C 2.374 178.884 176.600 -0.150 0.000 0.994 609 E CA 1.565 57.924 56.400 -0.068 0.000 0.801 609 E CB -0.289 29.334 29.700 -0.128 0.000 0.743 609 E HN 0.288 nan 8.360 nan 0.000 0.453 610 R N -0.092 120.285 120.500 -0.205 0.000 2.081 610 R HA -0.135 4.437 4.340 0.386 0.000 0.235 610 R C 2.029 178.213 176.300 -0.193 0.000 1.131 610 R CA 1.598 57.572 56.100 -0.210 0.000 0.960 610 R CB -0.077 30.116 30.300 -0.178 0.000 0.856 610 R HN 0.148 nan 8.270 nan 0.000 0.436 611 E N 0.698 120.776 120.200 -0.203 0.000 2.110 611 E HA -0.202 4.380 4.350 0.386 0.000 0.193 611 E C 1.939 178.138 176.600 -0.668 0.000 0.988 611 E CA 0.804 56.965 56.400 -0.398 0.000 0.804 611 E CB -0.324 29.157 29.700 -0.366 0.000 0.745 611 E HN 0.250 nan 8.360 nan 0.000 0.458 612 L N 1.428 122.341 121.223 -0.515 0.000 1.989 612 L HA -0.180 4.392 4.340 0.386 0.000 0.211 612 L C 2.327 179.080 176.870 -0.195 0.000 1.071 612 L CA 1.775 56.434 54.840 -0.302 0.000 0.749 612 L CB -0.267 41.814 42.059 0.037 0.000 0.890 612 L HN -0.052 nan 8.230 nan 0.000 0.431 613 R N -0.572 119.831 120.500 -0.163 0.000 2.083 613 R HA -0.171 4.401 4.340 0.386 0.000 0.237 613 R C 2.255 178.469 176.300 -0.143 0.000 1.137 613 R CA 1.440 57.465 56.100 -0.127 0.000 0.951 613 R CB -0.792 29.434 30.300 -0.124 0.000 0.851 613 R HN 0.557 nan 8.270 nan 0.000 0.434 614 A N 1.240 123.944 122.820 -0.193 0.000 1.902 614 A HA -0.172 4.379 4.320 0.386 0.000 0.217 614 A C 2.101 179.560 177.584 -0.209 0.000 1.181 614 A CA 1.198 53.117 52.037 -0.197 0.000 0.623 614 A CB -0.500 18.363 19.000 -0.230 0.000 0.818 614 A HN 0.247 nan 8.150 nan 0.000 0.443 615 L N -0.151 120.919 121.223 -0.254 0.000 2.046 615 L HA -0.124 4.448 4.340 0.386 0.000 0.208 615 L C 2.211 179.023 176.870 -0.096 0.000 1.077 615 L CA 2.212 56.935 54.840 -0.194 0.000 0.747 615 L CB -0.596 41.361 42.059 -0.170 0.000 0.896 615 L HN 0.336 nan 8.230 nan 0.000 0.432 616 K N -0.859 119.500 120.400 -0.068 0.000 2.044 616 K HA -0.292 4.259 4.320 0.386 0.000 0.210 616 K C 2.200 178.775 176.600 -0.040 0.000 1.049 616 K CA 2.009 58.280 56.287 -0.026 0.000 0.927 616 K CB -0.256 32.229 32.500 -0.025 0.000 0.713 616 K HN 0.336 nan 8.250 nan 0.000 0.443 617 Q N 1.106 120.866 119.800 -0.067 0.000 2.050 617 Q HA -0.121 4.451 4.340 0.386 0.000 0.202 617 Q C 1.896 177.854 176.000 -0.069 0.000 0.980 617 Q CA 1.613 57.377 55.803 -0.064 0.000 0.840 617 Q CB 0.018 28.712 28.738 -0.074 0.000 0.898 617 Q HN 0.190 nan 8.270 nan 0.000 0.424 618 R N -0.403 120.038 120.500 -0.098 0.000 2.081 618 R HA -0.092 4.479 4.340 0.386 0.000 0.235 618 R C 2.360 178.609 176.300 -0.086 0.000 1.131 618 R CA 1.619 57.653 56.100 -0.111 0.000 0.960 618 R CB -0.479 29.721 30.300 -0.166 0.000 0.856 618 R HN 0.352 nan 8.270 nan 0.000 0.436 619 I N 0.806 121.337 120.570 -0.065 0.000 2.226 619 I HA -0.278 4.123 4.170 0.386 0.000 0.245 619 I C 2.648 178.764 176.117 -0.002 0.000 1.100 619 I CA 1.497 62.786 61.300 -0.018 0.000 1.374 619 I CB -0.432 37.597 38.000 0.049 0.000 1.057 619 I HN 0.220 nan 8.210 nan 0.000 0.413 620 S N 0.386 116.081 115.700 -0.009 0.000 2.419 620 S HA -0.207 4.495 4.470 0.386 0.000 0.235 620 S C 1.860 176.453 174.600 -0.011 0.000 1.019 620 S CA 0.953 59.150 58.200 -0.006 0.000 0.982 620 S CB -0.272 62.921 63.200 -0.012 0.000 0.789 620 S HN 0.423 nan 8.310 nan 0.000 0.490 621 Q N 1.081 120.867 119.800 -0.023 0.000 2.403 621 Q HA 0.290 4.862 4.340 0.386 0.000 0.203 621 Q C 1.050 177.038 176.000 -0.020 0.000 0.932 621 Q CA 0.171 55.959 55.803 -0.024 0.000 0.945 621 Q CB -0.143 28.574 28.738 -0.035 0.000 1.045 621 Q HN 0.877 nan 8.270 nan 0.000 0.511 622 M N 0.000 119.591 119.600 -0.016 0.000 2.572 622 M HA 0.000 4.712 4.480 0.386 0.000 0.227 622 M CA 0.000 55.294 55.300 -0.009 0.000 0.988 622 M CB 0.000 32.593 32.600 -0.012 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411