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 2rke_1_A DATA FIRST_RESID 4 DATA SEQUENCE QLHNGLDFSA KVIQGSLDSL PQEVRKFVEG NAQLCQPEYI HICDGSEEEY DATA SEQUENCE GRLLAHMQEE GVIRKLKKYD NCWLALTDPR DVARIESKTV IITQEQRDTV DATA SEQUENCE PIPKSGQSQL GRWMSEEDFE KAFNARFPGC MKGRTMYVIP FSMGPLGSPL DATA SEQUENCE AKIGIELTDS PYVVASMRIM TRMGTSVLEA LGDGEFIKCL HSVGCPLPLK DATA SEQUENCE KPLVNNWACN PELTLIAHLP DRREIISFGS GYGGNSLLGK KCFALRIASR DATA SEQUENCE LAKEEGWLAE HMLILGITNP EGKKKYLAAA FPSACGKTNL AMMNPTLPGW DATA SEQUENCE KVECVGDDIA WMKFDAQGNL RAINPENGFF GVAPGTSVKT NPNAIKTIQK DATA SEQUENCE NTIFTNVAET SDGGVYWEGI DEPLAPGVTI TSWKNKEWRP QDEEPCAHPN DATA SEQUENCE SRFCTPASQC PIIDPAWESP EGVPIEGIIF GGRRPAGVPL VYEALSWQHG DATA SEQUENCE VFVGAAMRSE AXXXXXXXGK VIMHDPFAMR PFFGYNFGKY LAHWLSMAHR DATA SEQUENCE PAAKLPKIFH VNWFRKDKNG KFLWPGFGEN SRVLEWMFGR IEGEDSAKLT DATA SEQUENCE PIGYVPKEDA LNLKGLGDVN VEELFGISKE FWEKEVEEID KYLEDQVNAD DATA SEQUENCE LPYEIERELR ALKQRISQM 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.968 176.000 -0.053 0.000 1.003 4 Q CA 0.000 55.802 55.803 -0.001 0.000 1.022 4 Q CB 0.000 28.747 28.738 0.016 0.000 1.108 5 L N -1.510 119.642 121.223 -0.118 0.000 2.640 5 L HA 0.451 4.990 4.340 0.332 0.000 0.230 5 L C 0.171 176.723 176.870 -0.529 0.000 1.123 5 L CA 0.227 54.901 54.840 -0.277 0.000 0.900 5 L CB 0.063 41.942 42.059 -0.300 0.000 1.146 5 L HN 0.563 nan 8.230 nan 0.000 0.484 6 H N 0.803 119.874 119.070 0.001 0.000 4.258 6 H HA 0.385 5.140 4.556 0.331 0.000 0.430 6 H C -0.367 174.954 175.328 -0.012 0.000 1.305 6 H CA -0.154 55.891 56.048 -0.006 0.000 0.912 6 H CB 0.488 30.246 29.762 -0.006 0.000 0.937 6 H HN 0.140 nan 8.280 nan 0.000 0.783 7 N N -0.789 117.995 118.700 0.140 0.000 2.527 7 N HA 0.209 5.148 4.740 0.332 0.000 0.279 7 N C 0.101 175.599 175.510 -0.020 0.000 1.571 7 N CA 0.205 53.277 53.050 0.035 0.000 0.858 7 N CB 0.891 39.384 38.487 0.010 0.000 1.422 7 N HN 0.563 nan 8.380 nan 0.000 0.491 8 G N -0.436 108.368 108.800 0.008 0.000 3.044 8 G HA2 0.196 4.354 3.960 0.332 0.000 0.223 8 G HA3 0.196 4.354 3.960 0.332 0.000 0.223 8 G C 0.821 175.742 174.900 0.035 0.000 1.123 8 G CA -0.113 44.968 45.100 -0.031 0.000 0.765 8 G HN 0.209 nan 8.290 nan 0.000 0.546 9 L N -0.243 121.031 121.223 0.084 0.000 2.357 9 L HA 0.251 4.790 4.340 0.332 0.000 0.211 9 L C 0.385 177.394 176.870 0.231 0.000 1.075 9 L CA 0.046 54.991 54.840 0.176 0.000 0.830 9 L CB 0.317 42.449 42.059 0.123 0.000 0.996 9 L HN -0.013 nan 8.230 nan 0.000 0.467 10 D N -0.125 120.347 120.400 0.121 0.000 2.339 10 D HA 0.082 4.920 4.640 0.332 0.000 0.241 10 D C 0.147 176.499 176.300 0.086 0.000 1.183 10 D CA -0.087 53.985 54.000 0.120 0.000 0.859 10 D CB 0.720 41.553 40.800 0.054 0.000 1.067 10 D HN -0.024 nan 8.370 nan 0.000 0.484 11 F N 1.877 121.836 119.950 0.015 0.000 2.692 11 F HA 0.052 4.780 4.527 0.335 0.000 0.303 11 F C 2.275 178.084 175.800 0.016 0.000 1.114 11 F CA -0.235 57.773 58.000 0.013 0.000 1.361 11 F CB 0.389 39.393 39.000 0.008 0.000 1.063 11 F HN 0.298 nan 8.300 nan 0.000 0.550 12 S N 0.561 116.336 115.700 0.125 0.000 2.365 12 S HA -0.297 4.372 4.470 0.332 0.000 0.225 12 S C 2.430 177.063 174.600 0.054 0.000 1.039 12 S CA 1.458 59.705 58.200 0.078 0.000 1.033 12 S CB -0.419 62.809 63.200 0.048 0.000 0.887 12 S HN 0.467 nan 8.310 nan 0.000 0.447 13 A N 0.733 123.565 122.820 0.020 0.000 2.125 13 A HA -0.048 4.471 4.320 0.332 0.000 0.219 13 A C 1.864 179.478 177.584 0.050 0.000 1.156 13 A CA 1.197 53.241 52.037 0.012 0.000 0.671 13 A CB -0.247 18.739 19.000 -0.024 0.000 0.794 13 A HN 0.444 nan 8.150 nan 0.000 0.459 14 K N -0.498 119.953 120.400 0.084 0.000 2.374 14 K HA 0.210 4.729 4.320 0.332 0.000 0.196 14 K C -0.499 176.222 176.600 0.202 0.000 1.023 14 K CA -0.165 56.231 56.287 0.182 0.000 1.103 14 K CB 0.612 33.227 32.500 0.191 0.000 0.848 14 K HN 0.238 nan 8.250 nan 0.000 0.528 15 V N 3.406 123.389 119.914 0.115 0.000 2.439 15 V HA 0.027 4.346 4.120 0.332 0.000 0.271 15 V C 1.203 177.291 176.094 -0.011 0.000 1.040 15 V CA 0.134 62.469 62.300 0.057 0.000 1.002 15 V CB 0.402 32.247 31.823 0.036 0.000 1.000 15 V HN 0.266 nan 8.190 nan 0.000 0.477 16 I N 1.625 122.157 120.570 -0.064 0.000 3.783 16 I HA 0.356 4.725 4.170 0.332 0.000 0.310 16 I C 0.674 176.677 176.117 -0.191 0.000 1.274 16 I CA 0.469 61.675 61.300 -0.158 0.000 1.294 16 I CB 0.277 38.106 38.000 -0.285 0.000 1.051 16 I HN 0.627 nan 8.210 nan 0.000 0.435 17 Q N 1.305 120.961 119.800 -0.239 0.000 2.295 17 Q HA 0.528 5.067 4.340 0.332 0.000 0.268 17 Q C -0.232 175.651 176.000 -0.195 0.000 1.010 17 Q CA 0.073 55.695 55.803 -0.301 0.000 0.856 17 Q CB 2.104 30.439 28.738 -0.672 0.000 1.349 17 Q HN 0.517 nan 8.270 nan 0.000 0.412 18 G N 1.702 110.430 108.800 -0.121 0.000 2.615 18 G HA2 -0.126 4.033 3.960 0.332 0.000 0.218 18 G HA3 -0.126 4.033 3.960 0.332 0.000 0.218 18 G C -0.961 173.915 174.900 -0.040 0.000 1.339 18 G CA -0.223 44.837 45.100 -0.067 0.000 0.884 18 G HN 1.052 nan 8.290 nan 0.000 0.559 19 S N -1.406 114.283 115.700 -0.020 0.000 2.572 19 S HA 0.590 5.259 4.470 0.332 0.000 0.274 19 S C 1.264 175.868 174.600 0.007 0.000 1.150 19 S CA 0.146 58.344 58.200 -0.004 0.000 0.944 19 S CB 1.352 64.550 63.200 -0.004 0.000 1.071 19 S HN 1.069 nan 8.310 nan 0.000 0.479 20 L N 2.663 123.899 121.223 0.021 0.000 2.083 20 L HA -0.070 4.469 4.340 0.332 0.000 0.209 20 L C 1.753 178.639 176.870 0.026 0.000 1.083 20 L CA 1.253 56.111 54.840 0.030 0.000 0.752 20 L CB -0.378 41.711 42.059 0.050 0.000 0.899 20 L HN 0.676 nan 8.230 nan 0.000 0.433 21 D N -0.309 120.105 120.400 0.023 0.000 2.218 21 D HA -0.140 4.699 4.640 0.332 0.000 0.204 21 D C 2.297 178.606 176.300 0.014 0.000 0.976 21 D CA 1.724 55.736 54.000 0.020 0.000 0.853 21 D CB 0.009 40.819 40.800 0.016 0.000 0.939 21 D HN 0.411 nan 8.370 nan 0.000 0.481 22 S N -0.212 115.494 115.700 0.009 0.000 2.501 22 S HA 0.035 4.704 4.470 0.332 0.000 0.220 22 S C 1.196 175.798 174.600 0.003 0.000 0.997 22 S CA -0.218 57.984 58.200 0.004 0.000 0.919 22 S CB -0.184 63.016 63.200 -0.001 0.000 0.778 22 S HN 0.094 nan 8.310 nan 0.000 0.523 23 L N 2.349 123.574 121.223 0.005 0.000 2.467 23 L HA 0.304 4.843 4.340 0.332 0.000 0.270 23 L C -2.196 174.679 176.870 0.008 0.000 1.205 23 L CA -1.950 52.889 54.840 -0.001 0.000 0.828 23 L CB -0.266 41.794 42.059 0.002 0.000 1.101 23 L HN 0.057 nan 8.230 nan 0.000 0.479 24 P HA -0.022 nan 4.420 nan 0.000 0.269 24 P C 0.113 177.443 177.300 0.050 0.000 1.215 24 P CA -0.212 62.902 63.100 0.023 0.000 0.780 24 P CB 0.535 32.246 31.700 0.019 0.000 0.898 25 Q N 1.273 121.110 119.800 0.062 0.000 2.045 25 Q HA -0.263 4.276 4.340 0.332 0.000 0.206 25 Q C 1.431 177.498 176.000 0.112 0.000 0.991 25 Q CA 1.742 57.589 55.803 0.073 0.000 0.851 25 Q CB -0.105 28.669 28.738 0.060 0.000 0.911 25 Q HN 0.373 nan 8.270 nan 0.000 0.418 26 E N -0.445 119.850 120.200 0.158 0.000 2.204 26 E HA -0.106 4.443 4.350 0.332 0.000 0.194 26 E C 2.098 178.929 176.600 0.384 0.000 0.989 26 E CA 0.898 57.447 56.400 0.249 0.000 0.824 26 E CB -0.011 29.846 29.700 0.262 0.000 0.756 26 E HN 0.295 nan 8.360 nan 0.000 0.477 27 V N 1.300 121.354 119.914 0.233 0.000 2.358 27 V HA -0.178 4.141 4.120 0.332 0.000 0.246 27 V C 2.567 178.751 176.094 0.151 0.000 1.047 27 V CA 1.490 63.837 62.300 0.079 0.000 1.035 27 V CB -0.508 31.211 31.823 -0.173 0.000 0.658 27 V HN 0.167 nan 8.190 nan 0.000 0.452 28 R N 0.434 120.996 120.500 0.105 0.000 2.083 28 R HA -0.222 4.317 4.340 0.332 0.000 0.237 28 R C 2.427 178.788 176.300 0.102 0.000 1.137 28 R CA 1.957 58.107 56.100 0.083 0.000 0.951 28 R CB -0.169 30.171 30.300 0.065 0.000 0.851 28 R HN 0.448 nan 8.270 nan 0.000 0.434 29 K N -0.588 119.897 120.400 0.142 0.000 2.097 29 K HA -0.157 4.362 4.320 0.332 0.000 0.206 29 K C 1.823 178.533 176.600 0.184 0.000 1.049 29 K CA 1.478 57.847 56.287 0.138 0.000 0.933 29 K CB -0.319 32.261 32.500 0.134 0.000 0.717 29 K HN 0.100 nan 8.250 nan 0.000 0.442 30 F N 1.062 121.074 119.950 0.102 0.000 2.102 30 F HA -0.195 4.531 4.527 0.331 0.000 0.298 30 F C 1.785 177.617 175.800 0.053 0.000 1.105 30 F CA 1.130 59.197 58.000 0.112 0.000 1.239 30 F CB -0.511 38.637 39.000 0.247 0.000 0.991 30 F HN -0.269 nan 8.300 nan 0.000 0.474 31 V N 0.529 120.381 119.914 -0.104 0.000 2.261 31 V HA -0.288 4.031 4.120 0.332 0.000 0.246 31 V C 2.419 178.367 176.094 -0.243 0.000 1.047 31 V CA 2.363 64.515 62.300 -0.247 0.000 1.015 31 V CB -0.767 30.996 31.823 -0.099 0.000 0.642 31 V HN 0.330 nan 8.190 nan 0.000 0.446 32 E N 0.099 120.217 120.200 -0.136 0.000 2.072 32 E HA -0.132 4.417 4.350 0.332 0.000 0.191 32 E C 2.325 178.804 176.600 -0.201 0.000 0.985 32 E CA 1.128 57.427 56.400 -0.169 0.000 0.801 32 E CB -0.467 29.225 29.700 -0.013 0.000 0.750 32 E HN 0.640 nan 8.360 nan 0.000 0.452 33 G N 1.489 110.233 108.800 -0.094 0.000 2.440 33 G HA2 -0.272 3.887 3.960 0.332 0.000 0.218 33 G HA3 -0.272 3.887 3.960 0.332 0.000 0.218 33 G C 1.469 176.303 174.900 -0.109 0.000 1.154 33 G CA 0.651 45.718 45.100 -0.055 0.000 0.767 33 G HN 0.154 nan 8.290 nan 0.000 0.552 34 N N 0.924 119.511 118.700 -0.188 0.000 2.354 34 N HA 0.007 4.946 4.740 0.332 0.000 0.179 34 N C 2.518 177.873 175.510 -0.259 0.000 1.021 34 N CA 0.923 53.853 53.050 -0.200 0.000 0.887 34 N CB -0.168 38.143 38.487 -0.292 0.000 0.974 34 N HN 0.313 nan 8.380 nan 0.000 0.437 35 A N 1.439 123.996 122.820 -0.438 0.000 1.877 35 A HA -0.179 4.340 4.320 0.332 0.000 0.216 35 A C 2.163 179.309 177.584 -0.731 0.000 1.186 35 A CA 1.226 52.822 52.037 -0.736 0.000 0.620 35 A CB -0.605 17.616 19.000 -1.299 0.000 0.822 35 A HN 0.289 nan 8.150 nan 0.000 0.443 36 Q N -1.065 118.394 119.800 -0.568 0.000 2.112 36 Q HA -0.203 4.336 4.340 0.332 0.000 0.206 36 Q C 2.113 178.115 176.000 0.004 0.000 0.987 36 Q CA 1.722 57.480 55.803 -0.076 0.000 0.858 36 Q CB -0.362 28.396 28.738 0.033 0.000 0.905 36 Q HN 0.660 nan 8.270 nan 0.000 0.420 37 L N -0.498 120.703 121.223 -0.036 0.000 2.023 37 L HA -0.113 4.426 4.340 0.332 0.000 0.205 37 L C 1.958 178.837 176.870 0.015 0.000 1.073 37 L CA 1.712 56.561 54.840 0.014 0.000 0.745 37 L CB -0.359 41.726 42.059 0.043 0.000 0.900 37 L HN 0.232 nan 8.230 nan 0.000 0.435 38 C N -0.275 119.022 119.300 -0.005 0.000 2.514 38 C HA 0.150 4.809 4.460 0.332 0.000 0.271 38 C C 0.813 175.815 174.990 0.020 0.000 1.399 38 C CA -0.401 58.634 59.018 0.028 0.000 1.765 38 C CB -0.737 27.031 27.740 0.047 0.000 1.893 38 C HN 0.692 nan 8.230 nan 0.000 0.531 39 Q N -0.649 119.168 119.800 0.027 0.000 2.463 39 Q HA -0.147 4.392 4.340 0.332 0.000 0.299 39 Q C -2.342 173.706 176.000 0.081 0.000 1.353 39 Q CA 0.717 56.584 55.803 0.107 0.000 0.828 39 Q CB -1.767 27.023 28.738 0.086 0.000 1.157 39 Q HN 0.467 nan 8.270 nan 0.000 0.436 40 P HA -0.011 nan 4.420 nan 0.000 0.272 40 P C 0.737 178.053 177.300 0.026 0.000 1.230 40 P CA 0.058 63.172 63.100 0.023 0.000 0.788 40 P CB 0.714 32.413 31.700 -0.001 0.000 0.949 41 E N 0.499 120.641 120.200 -0.098 0.000 2.107 41 E HA -0.117 4.432 4.350 0.332 0.000 0.191 41 E C -0.330 176.022 176.600 -0.414 0.000 0.982 41 E CA 1.058 57.267 56.400 -0.318 0.000 0.809 41 E CB 0.090 29.493 29.700 -0.496 0.000 0.756 41 E HN 0.414 nan 8.360 nan 0.000 0.459 42 Y N -0.898 119.411 120.300 0.015 0.000 2.553 42 Y HA 0.461 5.209 4.550 0.330 0.000 0.347 42 Y C -0.494 175.387 175.900 -0.032 0.000 1.019 42 Y CA -1.109 56.987 58.100 -0.005 0.000 1.032 42 Y CB 1.567 40.000 38.460 -0.045 0.000 1.284 42 Y HN -0.151 nan 8.280 nan 0.000 0.466 43 I N 1.954 122.635 120.570 0.185 0.000 2.418 43 I HA 0.290 4.658 4.170 0.332 0.000 0.287 43 I C -1.013 175.134 176.117 0.049 0.000 1.008 43 I CA -0.605 60.736 61.300 0.069 0.000 1.104 43 I CB 1.633 39.675 38.000 0.069 0.000 1.264 43 I HN 0.632 nan 8.210 nan 0.000 0.438 44 H N 6.787 125.795 119.070 -0.104 0.000 2.638 44 H HA 0.527 5.282 4.556 0.331 0.000 0.303 44 H C -0.856 174.498 175.328 0.043 0.000 1.034 44 H CA -0.564 55.454 56.048 -0.049 0.000 1.225 44 H CB 0.923 30.622 29.762 -0.106 0.000 1.394 44 H HN 0.502 nan 8.280 nan 0.000 0.477 45 I N 6.084 126.649 120.570 -0.009 0.000 2.308 45 I HA 0.052 4.421 4.170 0.332 0.000 0.293 45 I C 0.164 176.345 176.117 0.106 0.000 1.078 45 I CA -0.407 60.933 61.300 0.067 0.000 1.292 45 I CB 0.207 38.211 38.000 0.006 0.000 1.423 45 I HN 0.639 nan 8.210 nan 0.000 0.493 46 C N 5.215 124.682 119.300 0.279 0.000 2.642 46 C HA -0.004 4.655 4.460 0.332 0.000 0.420 46 C C 1.571 176.644 174.990 0.139 0.000 1.349 46 C CA -0.347 58.842 59.018 0.285 0.000 1.821 46 C CB -0.351 27.535 27.740 0.243 0.000 2.637 46 C HN 0.816 nan 8.230 nan 0.000 0.605 47 D N 0.016 120.489 120.400 0.121 0.000 2.379 47 D HA 0.168 5.007 4.640 0.332 0.000 0.208 47 D C 1.482 177.817 176.300 0.058 0.000 1.065 47 D CA 0.692 54.732 54.000 0.067 0.000 0.848 47 D CB -0.257 40.568 40.800 0.042 0.000 0.949 47 D HN 0.943 nan 8.370 nan 0.000 0.509 48 G N 0.560 109.401 108.800 0.069 0.000 2.184 48 G HA2 -0.308 3.851 3.960 0.332 0.000 0.264 48 G HA3 -0.308 3.851 3.960 0.332 0.000 0.264 48 G C 0.447 175.361 174.900 0.022 0.000 0.975 48 G CA 0.662 45.779 45.100 0.029 0.000 0.642 48 G HN 0.897 nan 8.290 nan 0.000 0.536 49 S N -0.327 115.407 115.700 0.055 0.000 2.585 49 S HA 0.492 5.161 4.470 0.332 0.000 0.273 49 S C 1.249 175.903 174.600 0.090 0.000 1.339 49 S CA 0.751 58.987 58.200 0.059 0.000 1.028 49 S CB 1.892 65.130 63.200 0.063 0.000 0.906 49 S HN 0.493 nan 8.310 nan 0.000 0.528 50 E N 1.090 121.344 120.200 0.091 0.000 2.118 50 E HA -0.213 4.336 4.350 0.332 0.000 0.195 50 E C 1.810 178.506 176.600 0.159 0.000 0.992 50 E CA 2.072 58.559 56.400 0.145 0.000 0.804 50 E CB -0.423 29.346 29.700 0.116 0.000 0.741 50 E HN 0.875 nan 8.360 nan 0.000 0.458 51 E N 0.157 120.423 120.200 0.111 0.000 2.051 51 E HA -0.266 4.283 4.350 0.332 0.000 0.192 51 E C 2.059 178.719 176.600 0.100 0.000 0.991 51 E CA 1.329 57.785 56.400 0.092 0.000 0.799 51 E CB -0.226 29.516 29.700 0.070 0.000 0.748 51 E HN 0.464 nan 8.360 nan 0.000 0.449 52 E N -0.537 119.734 120.200 0.119 0.000 2.086 52 E HA -0.283 4.266 4.350 0.332 0.000 0.200 52 E C 2.014 178.691 176.600 0.128 0.000 1.012 52 E CA 1.574 58.059 56.400 0.141 0.000 0.812 52 E CB -0.337 29.469 29.700 0.177 0.000 0.743 52 E HN 0.360 nan 8.360 nan 0.000 0.453 53 Y N 0.508 120.806 120.300 -0.003 0.000 2.133 53 Y HA -0.028 4.721 4.550 0.332 0.000 0.287 53 Y C 2.243 178.107 175.900 -0.061 0.000 1.134 53 Y CA 2.048 60.120 58.100 -0.048 0.000 1.133 53 Y CB -0.917 37.525 38.460 -0.029 0.000 0.987 53 Y HN 0.103 nan 8.280 nan 0.000 0.502 54 G N -0.150 108.596 108.800 -0.090 0.000 2.422 54 G HA2 -0.242 3.917 3.960 0.332 0.000 0.218 54 G HA3 -0.242 3.917 3.960 0.332 0.000 0.218 54 G C 1.798 176.631 174.900 -0.111 0.000 1.146 54 G CA 0.840 45.855 45.100 -0.142 0.000 0.769 54 G HN 0.367 nan 8.290 nan 0.000 0.547 55 R N -0.520 119.956 120.500 -0.039 0.000 2.075 55 R HA 0.123 4.662 4.340 0.332 0.000 0.232 55 R C 2.545 178.821 176.300 -0.039 0.000 1.126 55 R CA 0.942 57.034 56.100 -0.014 0.000 0.963 55 R CB -0.475 29.837 30.300 0.022 0.000 0.858 55 R HN 0.383 nan 8.270 nan 0.000 0.435 56 L N 0.904 122.078 121.223 -0.082 0.000 2.046 56 L HA -0.179 4.360 4.340 0.332 0.000 0.208 56 L C 1.980 178.726 176.870 -0.206 0.000 1.077 56 L CA 1.418 56.194 54.840 -0.105 0.000 0.747 56 L CB -0.128 41.838 42.059 -0.155 0.000 0.896 56 L HN 0.173 nan 8.230 nan 0.000 0.432 57 L N -0.485 120.484 121.223 -0.423 0.000 2.046 57 L HA -0.200 4.339 4.340 0.332 0.000 0.208 57 L C 2.790 179.334 176.870 -0.544 0.000 1.077 57 L CA 1.236 55.629 54.840 -0.745 0.000 0.747 57 L CB -0.829 40.458 42.059 -1.286 0.000 0.896 57 L HN 0.357 nan 8.230 nan 0.000 0.432 58 A N -1.240 121.431 122.820 -0.248 0.000 1.930 58 A HA -0.269 4.250 4.320 0.332 0.000 0.217 58 A C 2.269 179.876 177.584 0.037 0.000 1.175 58 A CA 1.598 53.627 52.037 -0.015 0.000 0.627 58 A CB -0.943 18.096 19.000 0.063 0.000 0.815 58 A HN 0.535 nan 8.150 nan 0.000 0.443 59 H N -0.768 118.262 119.070 -0.068 0.000 2.353 59 H HA -0.087 4.667 4.556 0.331 0.000 0.300 59 H C 2.045 177.355 175.328 -0.029 0.000 1.090 59 H CA 1.918 57.948 56.048 -0.030 0.000 1.327 59 H CB -0.131 29.617 29.762 -0.023 0.000 1.383 59 H HN 0.449 nan 8.280 nan 0.000 0.508 60 M N 0.356 119.842 119.600 -0.190 0.000 2.159 60 M HA -0.204 4.474 4.480 0.332 0.000 0.263 60 M C 2.619 178.861 176.300 -0.096 0.000 1.063 60 M CA 1.512 56.692 55.300 -0.199 0.000 1.110 60 M CB -0.248 32.255 32.600 -0.162 0.000 1.374 60 M HN 0.396 nan 8.290 nan 0.000 0.411 61 Q N 0.657 120.432 119.800 -0.043 0.000 2.084 61 Q HA -0.220 4.319 4.340 0.332 0.000 0.202 61 Q C 1.642 177.679 176.000 0.063 0.000 0.978 61 Q CA 1.646 57.507 55.803 0.097 0.000 0.844 61 Q CB 0.039 28.925 28.738 0.248 0.000 0.898 61 Q HN 0.540 nan 8.270 nan 0.000 0.426 62 E N 0.304 120.519 120.200 0.025 0.000 2.058 62 E HA -0.207 4.342 4.350 0.332 0.000 0.194 62 E C 1.454 178.048 176.600 -0.009 0.000 0.997 62 E CA 1.394 57.809 56.400 0.026 0.000 0.801 62 E CB 0.033 29.765 29.700 0.054 0.000 0.746 62 E HN 0.421 nan 8.360 nan 0.000 0.450 63 E N -0.857 119.291 120.200 -0.086 0.000 2.489 63 E HA 0.044 4.593 4.350 0.332 0.000 0.193 63 E C 0.766 177.356 176.600 -0.018 0.000 1.057 63 E CA 0.262 56.617 56.400 -0.076 0.000 0.866 63 E CB 0.515 30.113 29.700 -0.169 0.000 0.916 63 E HN 0.405 nan 8.360 nan 0.000 0.500 64 G N 0.919 109.728 108.800 0.014 0.000 2.155 64 G HA2 -0.313 3.846 3.960 0.332 0.000 0.257 64 G HA3 -0.313 3.846 3.960 0.332 0.000 0.257 64 G C 1.021 175.966 174.900 0.075 0.000 0.983 64 G CA 0.491 45.623 45.100 0.052 0.000 0.676 64 G HN 0.265 nan 8.290 nan 0.000 0.528 65 V N 0.491 120.439 119.914 0.057 0.000 2.488 65 V HA 0.215 4.534 4.120 0.332 0.000 0.246 65 V C 1.589 177.787 176.094 0.172 0.000 1.046 65 V CA 2.042 64.402 62.300 0.099 0.000 1.053 65 V CB -0.423 31.421 31.823 0.036 0.000 0.679 65 V HN 0.809 nan 8.190 nan 0.000 0.458 66 I N -1.157 119.509 120.570 0.161 0.000 3.042 66 I HA 0.717 5.086 4.170 0.332 0.000 0.310 66 I C -0.704 175.584 176.117 0.285 0.000 1.117 66 I CA -1.318 60.132 61.300 0.251 0.000 1.003 66 I CB 2.425 40.584 38.000 0.264 0.000 1.228 66 I HN 0.092 nan 8.210 nan 0.000 0.443 67 R N 1.983 122.689 120.500 0.344 0.000 2.744 67 R HA 0.536 5.075 4.340 0.332 0.000 0.279 67 R C -1.181 175.314 176.300 0.326 0.000 0.977 67 R CA -1.062 55.225 56.100 0.312 0.000 0.906 67 R CB 2.117 32.523 30.300 0.176 0.000 1.197 67 R HN 0.617 nan 8.270 nan 0.000 0.463 68 K N 2.535 123.009 120.400 0.124 0.000 2.298 68 K HA 0.185 4.704 4.320 0.332 0.000 0.280 68 K C -0.674 175.805 176.600 -0.203 0.000 1.032 68 K CA -0.419 55.658 56.287 -0.349 0.000 0.958 68 K CB 0.670 32.822 32.500 -0.580 0.000 0.978 68 K HN 0.547 nan 8.250 nan 0.000 0.472 69 L N 6.823 127.910 121.223 -0.228 0.000 2.282 69 L HA 0.159 4.698 4.340 0.332 0.000 0.287 69 L C 1.501 178.242 176.870 -0.215 0.000 1.075 69 L CA -0.236 54.524 54.840 -0.133 0.000 0.839 69 L CB 0.669 42.750 42.059 0.037 0.000 1.219 69 L HN 0.691 nan 8.230 nan 0.000 0.434 70 K N 2.031 122.301 120.400 -0.216 0.000 2.280 70 K HA -0.190 4.329 4.320 0.332 0.000 0.202 70 K C 1.626 178.077 176.600 -0.249 0.000 1.047 70 K CA 1.068 57.233 56.287 -0.205 0.000 0.942 70 K CB 0.043 32.452 32.500 -0.153 0.000 0.739 70 K HN 0.421 nan 8.250 nan 0.000 0.457 71 K N -0.049 120.100 120.400 -0.418 0.000 2.211 71 K HA -0.049 4.470 4.320 0.332 0.000 0.203 71 K C -0.265 176.033 176.600 -0.504 0.000 1.050 71 K CA 0.785 56.722 56.287 -0.583 0.000 0.945 71 K CB 0.131 32.062 32.500 -0.948 0.000 0.732 71 K HN 0.103 nan 8.250 nan 0.000 0.451 72 Y N -0.322 119.942 120.300 -0.060 0.000 2.650 72 Y HA 0.227 4.976 4.550 0.333 0.000 0.331 72 Y C -0.402 175.473 175.900 -0.042 0.000 1.082 72 Y CA -2.343 55.739 58.100 -0.030 0.000 1.171 72 Y CB 0.490 38.960 38.460 0.016 0.000 1.326 72 Y HN -0.149 nan 8.280 nan 0.000 0.513 73 D N 1.363 121.870 120.400 0.179 0.000 2.365 73 D HA 0.083 4.922 4.640 0.332 0.000 0.237 73 D C -0.110 176.242 176.300 0.087 0.000 1.190 73 D CA 0.129 54.184 54.000 0.092 0.000 0.867 73 D CB -0.339 40.515 40.800 0.090 0.000 1.050 73 D HN 0.607 nan 8.370 nan 0.000 0.491 74 N N 2.642 121.352 118.700 0.016 0.000 2.738 74 N HA -0.206 4.733 4.740 0.332 0.000 0.249 74 N C -1.559 173.962 175.510 0.017 0.000 1.047 74 N CA 0.486 53.554 53.050 0.030 0.000 0.707 74 N CB -1.478 37.125 38.487 0.194 0.000 0.937 74 N HN 0.313 nan 8.380 nan 0.000 0.545 75 C N 0.024 119.217 119.300 -0.178 0.000 2.454 75 C HA 0.816 5.475 4.460 0.332 0.000 0.336 75 C C -0.104 174.699 174.990 -0.311 0.000 1.189 75 C CA -0.561 58.470 59.018 0.022 0.000 1.877 75 C CB 0.550 28.500 27.740 0.351 0.000 2.348 75 C HN 0.527 nan 8.230 nan 0.000 0.508 76 W N 1.426 122.919 121.300 0.321 0.000 3.107 76 W HA 0.686 5.545 4.660 0.332 0.000 0.331 76 W C -0.956 175.774 176.519 0.352 0.000 1.204 76 W CA -0.643 56.861 57.345 0.264 0.000 1.184 76 W CB 1.049 30.613 29.460 0.173 0.000 1.421 76 W HN 0.322 nan 8.180 nan 0.000 0.544 77 L N 2.729 124.263 121.223 0.518 0.000 2.381 77 L HA 0.900 5.439 4.340 0.332 0.000 0.274 77 L C -0.682 176.413 176.870 0.375 0.000 0.988 77 L CA -0.760 54.334 54.840 0.425 0.000 0.824 77 L CB 1.319 43.558 42.059 0.299 0.000 1.263 77 L HN 0.521 nan 8.230 nan 0.000 0.410 78 A N 6.165 129.204 122.820 0.365 0.000 2.318 78 A HA 0.795 5.314 4.320 0.332 0.000 0.324 78 A C -1.304 176.379 177.584 0.166 0.000 1.170 78 A CA -0.517 51.696 52.037 0.293 0.000 0.810 78 A CB 0.710 19.939 19.000 0.383 0.000 1.198 78 A HN 0.689 nan 8.150 nan 0.000 0.484 79 L N 3.011 124.306 121.223 0.120 0.000 2.305 79 L HA 0.482 5.021 4.340 0.332 0.000 0.284 79 L C 0.778 177.594 176.870 -0.091 0.000 1.013 79 L CA -0.624 54.256 54.840 0.068 0.000 0.819 79 L CB 1.823 43.949 42.059 0.111 0.000 1.227 79 L HN 0.898 nan 8.230 nan 0.000 0.417 80 T N -2.110 112.253 114.554 -0.319 0.000 2.847 80 T HA 0.170 4.719 4.350 0.332 0.000 0.279 80 T C 0.013 174.515 174.700 -0.328 0.000 0.984 80 T CA -0.828 60.767 62.100 -0.842 0.000 0.988 80 T CB 1.587 69.601 68.868 -1.422 0.000 1.040 80 T HN 0.480 nan 8.240 nan 0.000 0.528 81 D N 2.012 122.244 120.400 -0.280 0.000 2.450 81 D HA 0.086 4.925 4.640 0.332 0.000 0.247 81 D C -1.081 175.198 176.300 -0.036 0.000 1.162 81 D CA -1.895 52.099 54.000 -0.010 0.000 0.879 81 D CB 1.213 42.134 40.800 0.202 0.000 1.163 81 D HN 0.273 nan 8.370 nan 0.000 0.472 82 P HA -0.151 nan 4.420 nan 0.000 0.222 82 P C 0.859 178.194 177.300 0.058 0.000 1.142 82 P CA 0.992 64.157 63.100 0.108 0.000 0.788 82 P CB 0.205 31.942 31.700 0.061 0.000 0.767 83 R N -0.741 119.782 120.500 0.038 0.000 2.275 83 R HA 0.031 4.570 4.340 0.332 0.000 0.199 83 R C 0.416 176.726 176.300 0.018 0.000 0.989 83 R CA 0.499 56.622 56.100 0.038 0.000 1.016 83 R CB -0.157 30.178 30.300 0.060 0.000 0.918 83 R HN 0.098 nan 8.270 nan 0.000 0.473 84 D N 0.352 120.748 120.400 -0.007 0.000 2.412 84 D HA 0.083 4.922 4.640 0.332 0.000 0.276 84 D C 0.239 176.390 176.300 -0.249 0.000 1.196 84 D CA -0.299 53.709 54.000 0.012 0.000 0.905 84 D CB 1.284 42.270 40.800 0.309 0.000 1.081 84 D HN -0.029 nan 8.370 nan 0.000 0.502 85 V N 0.376 119.978 119.914 -0.521 0.000 3.382 85 V HA 0.856 5.175 4.120 0.332 0.000 0.296 85 V C 0.275 175.485 176.094 -1.474 0.000 1.529 85 V CA 0.315 61.958 62.300 -1.096 0.000 1.048 85 V CB -0.115 31.071 31.823 -1.062 0.000 0.878 85 V HN 0.417 nan 8.190 nan 0.000 0.442 86 A N -0.060 122.195 122.820 -0.940 0.000 2.583 86 A HA 0.670 5.189 4.320 0.332 0.000 0.292 86 A C -0.467 177.095 177.584 -0.037 0.000 1.045 86 A CA -0.937 50.850 52.037 -0.417 0.000 0.672 86 A CB 0.939 19.823 19.000 -0.194 0.000 1.283 86 A HN 0.229 nan 8.150 nan 0.000 0.419 87 R N -0.065 120.518 120.500 0.138 0.000 2.494 87 R HA 0.127 4.666 4.340 0.332 0.000 0.291 87 R C -0.934 175.419 176.300 0.089 0.000 0.953 87 R CA 0.691 56.886 56.100 0.159 0.000 1.098 87 R CB -0.290 30.121 30.300 0.185 0.000 0.911 87 R HN 0.442 nan 8.270 nan 0.000 0.407 88 I N 2.502 123.131 120.570 0.099 0.000 2.330 88 I HA 0.059 4.428 4.170 0.332 0.000 0.286 88 I C 1.349 177.511 176.117 0.076 0.000 1.025 88 I CA 0.011 61.355 61.300 0.073 0.000 1.197 88 I CB 1.459 39.505 38.000 0.077 0.000 1.358 88 I HN 0.644 nan 8.210 nan 0.000 0.467 89 E N 3.440 123.665 120.200 0.042 0.000 2.110 89 E HA -0.217 4.332 4.350 0.332 0.000 0.193 89 E C 1.904 178.532 176.600 0.047 0.000 0.988 89 E CA 1.610 58.025 56.400 0.025 0.000 0.804 89 E CB 0.294 29.979 29.700 -0.025 0.000 0.745 89 E HN 0.778 nan 8.360 nan 0.000 0.458 90 S N -0.316 115.413 115.700 0.049 0.000 2.547 90 S HA -0.057 4.612 4.470 0.332 0.000 0.235 90 S C 1.249 175.895 174.600 0.076 0.000 0.980 90 S CA 0.629 58.862 58.200 0.056 0.000 0.941 90 S CB 0.013 63.242 63.200 0.048 0.000 0.763 90 S HN 0.167 nan 8.310 nan 0.000 0.532 91 K N 0.606 121.063 120.400 0.094 0.000 2.536 91 K HA 0.210 4.729 4.320 0.332 0.000 0.203 91 K C -0.765 175.924 176.600 0.148 0.000 1.063 91 K CA -0.058 56.300 56.287 0.119 0.000 1.063 91 K CB 1.261 33.836 32.500 0.125 0.000 0.843 91 K HN 0.175 nan 8.250 nan 0.000 0.521 92 T N 1.828 116.467 114.554 0.142 0.000 2.758 92 T HA 0.415 4.964 4.350 0.332 0.000 0.285 92 T C -0.442 174.363 174.700 0.175 0.000 0.981 92 T CA -0.672 61.539 62.100 0.185 0.000 0.965 92 T CB 1.490 70.467 68.868 0.182 0.000 0.927 92 T HN 0.024 nan 8.240 nan 0.000 0.448 93 V N 1.204 121.247 119.914 0.215 0.000 3.078 93 V HA 0.787 5.106 4.120 0.332 0.000 0.311 93 V C -1.097 175.118 176.094 0.202 0.000 1.138 93 V CA -1.225 61.169 62.300 0.157 0.000 1.007 93 V CB 1.938 33.811 31.823 0.084 0.000 1.045 93 V HN 0.829 nan 8.190 nan 0.000 0.432 94 I N 2.898 123.540 120.570 0.120 0.000 2.465 94 I HA 0.534 4.903 4.170 0.332 0.000 0.291 94 I C -1.173 174.954 176.117 0.016 0.000 1.014 94 I CA -0.593 60.771 61.300 0.106 0.000 1.093 94 I CB 2.084 40.158 38.000 0.123 0.000 1.267 94 I HN 0.512 nan 8.210 nan 0.000 0.431 95 I N 5.688 126.215 120.570 -0.072 0.000 2.321 95 I HA 0.450 4.819 4.170 0.332 0.000 0.291 95 I C 0.310 176.455 176.117 0.048 0.000 0.998 95 I CA 0.176 61.385 61.300 -0.151 0.000 1.227 95 I CB 1.624 39.465 38.000 -0.264 0.000 1.368 95 I HN 0.626 nan 8.210 nan 0.000 0.466 96 T N 0.853 115.564 114.554 0.262 0.000 2.843 96 T HA 0.294 4.843 4.350 0.332 0.000 0.302 96 T C 0.403 175.354 174.700 0.418 0.000 1.232 96 T CA -0.741 61.536 62.100 0.296 0.000 1.009 96 T CB 1.526 70.561 68.868 0.279 0.000 1.254 96 T HN 0.557 nan 8.240 nan 0.000 0.504 97 Q N -0.064 119.878 119.800 0.237 0.000 2.084 97 Q HA -0.065 4.474 4.340 0.332 0.000 0.202 97 Q C -0.079 176.066 176.000 0.241 0.000 0.978 97 Q CA 1.294 57.226 55.803 0.214 0.000 0.844 97 Q CB 0.179 28.979 28.738 0.103 0.000 0.898 97 Q HN 0.598 nan 8.270 nan 0.000 0.426 98 E N 0.233 120.496 120.200 0.105 0.000 2.158 98 E HA 0.028 4.577 4.350 0.332 0.000 0.271 98 E C -0.242 176.078 176.600 -0.467 0.000 0.911 98 E CA -0.206 56.116 56.400 -0.130 0.000 0.767 98 E CB 1.698 31.333 29.700 -0.109 0.000 1.120 98 E HN 0.305 nan 8.360 nan 0.000 0.405 99 Q N 3.229 122.342 119.800 -1.146 0.000 2.096 99 Q HA -0.208 4.331 4.340 0.332 0.000 0.204 99 Q C 1.829 177.430 176.000 -0.665 0.000 0.982 99 Q CA 1.551 56.345 55.803 -1.682 0.000 0.850 99 Q CB 0.144 27.925 28.738 -1.596 0.000 0.901 99 Q HN 0.394 nan 8.270 nan 0.000 0.422 100 R N 0.032 120.283 120.500 -0.415 0.000 2.159 100 R HA -0.147 4.392 4.340 0.332 0.000 0.237 100 R C 1.132 177.356 176.300 -0.126 0.000 1.131 100 R CA 1.563 57.533 56.100 -0.217 0.000 0.982 100 R CB 0.056 30.258 30.300 -0.163 0.000 0.868 100 R HN 0.372 nan 8.270 nan 0.000 0.453 101 D N -1.034 119.298 120.400 -0.113 0.000 2.264 101 D HA -0.085 4.754 4.640 0.332 0.000 0.208 101 D C 1.308 177.642 176.300 0.057 0.000 0.966 101 D CA 1.220 55.213 54.000 -0.012 0.000 0.864 101 D CB 0.130 40.931 40.800 0.001 0.000 0.933 101 D HN 0.222 nan 8.370 nan 0.000 0.499 102 T N -0.265 114.303 114.554 0.023 0.000 3.021 102 T HA 0.102 4.650 4.350 0.332 0.000 0.245 102 T C 0.860 175.598 174.700 0.063 0.000 1.028 102 T CA 0.303 62.470 62.100 0.112 0.000 1.139 102 T CB 0.699 69.720 68.868 0.254 0.000 0.884 102 T HN -0.023 nan 8.240 nan 0.000 0.457 103 V N -0.314 119.597 119.914 -0.006 0.000 2.925 103 V HA 0.607 4.926 4.120 0.332 0.000 0.311 103 V C -3.226 172.830 176.094 -0.064 0.000 1.104 103 V CA -3.309 58.978 62.300 -0.021 0.000 0.954 103 V CB 1.829 33.658 31.823 0.010 0.000 1.022 103 V HN -0.126 nan 8.190 nan 0.000 0.427 104 P HA 0.315 nan 4.420 nan 0.000 0.272 104 P C -0.618 176.636 177.300 -0.078 0.000 1.223 104 P CA -0.209 62.847 63.100 -0.074 0.000 0.784 104 P CB 0.357 32.014 31.700 -0.071 0.000 0.923 105 I N 3.650 124.169 120.570 -0.085 0.000 2.363 105 I HA 0.206 4.575 4.170 0.332 0.000 0.292 105 I C -2.047 174.029 176.117 -0.069 0.000 1.075 105 I CA -2.876 58.377 61.300 -0.079 0.000 1.333 105 I CB -0.260 37.688 38.000 -0.086 0.000 1.415 105 I HN 0.148 nan 8.210 nan 0.000 0.502 106 P HA 0.170 nan 4.420 nan 0.000 0.272 106 P C 0.758 178.024 177.300 -0.057 0.000 1.230 106 P CA -0.418 62.640 63.100 -0.071 0.000 0.788 106 P CB 1.385 33.046 31.700 -0.065 0.000 0.949 107 K N 0.415 120.779 120.400 -0.060 0.000 2.076 107 K HA -0.037 4.482 4.320 0.332 0.000 0.204 107 K C 1.276 177.855 176.600 -0.034 0.000 1.051 107 K CA 1.723 57.983 56.287 -0.046 0.000 0.949 107 K CB 0.067 32.539 32.500 -0.047 0.000 0.726 107 K HN 0.505 nan 8.250 nan 0.000 0.443 108 S N -1.327 114.352 115.700 -0.035 0.000 2.830 108 S HA 0.235 4.904 4.470 0.332 0.000 0.249 108 S C 0.925 175.514 174.600 -0.018 0.000 1.084 108 S CA -0.188 57.998 58.200 -0.023 0.000 0.852 108 S CB 0.687 63.876 63.200 -0.019 0.000 0.802 108 S HN 0.300 nan 8.310 nan 0.000 0.481 109 G N 0.903 109.690 108.800 -0.022 0.000 2.828 109 G HA2 0.570 4.729 3.960 0.332 0.000 0.244 109 G HA3 0.570 4.729 3.960 0.332 0.000 0.244 109 G C -1.077 173.816 174.900 -0.012 0.000 1.365 109 G CA -0.697 44.396 45.100 -0.012 0.000 1.041 109 G HN 0.327 nan 8.290 nan 0.000 0.560 110 Q N -0.295 119.505 119.800 -0.001 0.000 2.259 110 Q HA 0.432 4.971 4.340 0.332 0.000 0.246 110 Q C 0.163 176.162 176.000 -0.001 0.000 0.920 110 Q CA -0.375 55.432 55.803 0.007 0.000 0.895 110 Q CB 0.970 29.719 28.738 0.019 0.000 1.220 110 Q HN 0.442 nan 8.270 nan 0.000 0.439 111 S N 1.926 117.627 115.700 0.002 0.000 2.564 111 S HA 0.049 4.718 4.470 0.332 0.000 0.278 111 S C 0.191 174.797 174.600 0.009 0.000 1.333 111 S CA 0.025 58.220 58.200 -0.008 0.000 1.048 111 S CB 0.641 63.841 63.200 -0.001 0.000 0.900 111 S HN 0.759 nan 8.310 nan 0.000 0.505 112 Q N 3.239 123.041 119.800 0.004 0.000 2.217 112 Q HA 0.303 4.842 4.340 0.332 0.000 0.217 112 Q C 0.603 176.617 176.000 0.023 0.000 0.844 112 Q CA 0.072 55.891 55.803 0.027 0.000 0.957 112 Q CB 0.308 29.089 28.738 0.071 0.000 1.127 112 Q HN 0.663 nan 8.270 nan 0.000 0.503 113 L N -0.311 120.920 121.223 0.013 0.000 2.667 113 L HA 0.386 4.925 4.340 0.332 0.000 0.232 113 L C 0.684 177.604 176.870 0.084 0.000 1.138 113 L CA -0.183 54.679 54.840 0.037 0.000 0.921 113 L CB 0.821 42.847 42.059 -0.056 0.000 1.180 113 L HN 0.156 nan 8.230 nan 0.000 0.487 114 G N 0.078 108.911 108.800 0.055 0.000 2.337 114 G HA2 0.250 4.409 3.960 0.332 0.000 0.298 114 G HA3 0.250 4.409 3.960 0.332 0.000 0.298 114 G C -1.573 173.380 174.900 0.088 0.000 1.335 114 G CA -0.963 44.179 45.100 0.070 0.000 0.875 114 G HN -0.050 nan 8.290 nan 0.000 0.579 115 R N -0.649 119.921 120.500 0.118 0.000 2.510 115 R HA 0.353 4.892 4.340 0.332 0.000 0.294 115 R C -1.599 174.826 176.300 0.209 0.000 1.056 115 R CA -0.594 55.594 56.100 0.146 0.000 0.918 115 R CB 2.463 32.827 30.300 0.107 0.000 1.187 115 R HN 0.591 nan 8.270 nan 0.000 0.437 116 W N 5.536 126.863 121.300 0.044 0.000 2.438 116 W HA 0.509 5.364 4.660 0.326 0.000 0.324 116 W C -0.861 175.694 176.519 0.059 0.000 1.119 116 W CA -0.775 56.597 57.345 0.046 0.000 1.221 116 W CB 1.231 30.712 29.460 0.035 0.000 1.253 116 W HN 0.422 nan 8.180 nan 0.000 0.555 117 M N 6.040 125.215 119.600 -0.710 0.000 2.326 117 M HA 0.322 5.001 4.480 0.332 0.000 0.306 117 M C -0.080 175.424 176.300 -1.328 0.000 1.054 117 M CA -0.571 54.255 55.300 -0.790 0.000 0.922 117 M CB 1.576 34.012 32.600 -0.273 0.000 1.632 117 M HN 0.553 nan 8.290 nan 0.000 0.436 118 S N 2.795 117.720 115.700 -1.292 0.000 2.573 118 S HA 0.085 4.754 4.470 0.332 0.000 0.277 118 S C 0.836 175.264 174.600 -0.288 0.000 1.346 118 S CA 0.149 57.882 58.200 -0.779 0.000 1.034 118 S CB 0.598 63.578 63.200 -0.366 0.000 0.879 118 S HN 0.871 nan 8.310 nan 0.000 0.528 119 E N 1.554 121.690 120.200 -0.108 0.000 2.153 119 E HA -0.223 4.326 4.350 0.332 0.000 0.194 119 E C 1.496 178.120 176.600 0.040 0.000 0.988 119 E CA 1.287 57.689 56.400 0.004 0.000 0.811 119 E CB -0.332 29.381 29.700 0.022 0.000 0.746 119 E HN 0.895 nan 8.360 nan 0.000 0.466 120 E N 1.785 121.988 120.200 0.006 0.000 2.072 120 E HA -0.182 4.367 4.350 0.332 0.000 0.190 120 E C 1.363 177.961 176.600 -0.003 0.000 0.982 120 E CA 1.012 57.416 56.400 0.007 0.000 0.803 120 E CB -0.325 29.382 29.700 0.011 0.000 0.755 120 E HN 0.224 nan 8.360 nan 0.000 0.453 121 D N 0.572 120.958 120.400 -0.023 0.000 2.117 121 D HA -0.104 4.735 4.640 0.332 0.000 0.197 121 D C 1.665 177.976 176.300 0.017 0.000 0.987 121 D CA 0.686 54.674 54.000 -0.021 0.000 0.829 121 D CB -0.479 40.284 40.800 -0.060 0.000 0.961 121 D HN 0.133 nan 8.370 nan 0.000 0.460 122 F N 1.675 121.574 119.950 -0.086 0.000 2.102 122 F HA -0.148 4.584 4.527 0.342 0.000 0.298 122 F C 2.314 178.129 175.800 0.024 0.000 1.105 122 F CA 1.389 59.367 58.000 -0.037 0.000 1.239 122 F CB -0.220 38.739 39.000 -0.069 0.000 0.991 122 F HN -0.179 nan 8.300 nan 0.000 0.474 123 E N 0.504 120.641 120.200 -0.104 0.000 2.097 123 E HA -0.234 4.314 4.350 0.332 0.000 0.196 123 E C 2.192 178.727 176.600 -0.109 0.000 1.000 123 E CA 1.854 58.169 56.400 -0.142 0.000 0.804 123 E CB -0.167 29.509 29.700 -0.039 0.000 0.740 123 E HN 0.378 nan 8.360 nan 0.000 0.454 124 K N -0.401 119.948 120.400 -0.085 0.000 2.009 124 K HA -0.167 4.352 4.320 0.332 0.000 0.210 124 K C 2.175 178.706 176.600 -0.116 0.000 1.049 124 K CA 1.264 57.508 56.287 -0.072 0.000 0.929 124 K CB -0.297 32.174 32.500 -0.048 0.000 0.714 124 K HN 0.189 nan 8.250 nan 0.000 0.440 125 A N 1.061 123.782 122.820 -0.165 0.000 1.883 125 A HA -0.215 4.304 4.320 0.332 0.000 0.217 125 A C 2.034 179.465 177.584 -0.256 0.000 1.186 125 A CA 1.493 53.416 52.037 -0.190 0.000 0.624 125 A CB -0.821 18.095 19.000 -0.140 0.000 0.822 125 A HN 0.400 nan 8.150 nan 0.000 0.444 126 F N 1.342 120.962 119.950 -0.550 0.000 2.126 126 F HA -0.199 4.524 4.527 0.327 0.000 0.299 126 F C 1.945 177.635 175.800 -0.182 0.000 1.096 126 F CA 2.053 59.811 58.000 -0.403 0.000 1.255 126 F CB -0.167 38.440 39.000 -0.655 0.000 0.997 126 F HN 0.211 nan 8.300 nan 0.000 0.479 127 N N 0.537 119.194 118.700 -0.073 0.000 2.331 127 N HA -0.033 4.906 4.740 0.332 0.000 0.180 127 N C 1.644 177.044 175.510 -0.184 0.000 1.019 127 N CA 1.136 54.130 53.050 -0.094 0.000 0.881 127 N CB -0.540 37.942 38.487 -0.008 0.000 0.972 127 N HN 0.369 nan 8.380 nan 0.000 0.435 128 A N -0.017 122.674 122.820 -0.216 0.000 2.259 128 A HA 0.158 4.677 4.320 0.332 0.000 0.208 128 A C 1.873 179.236 177.584 -0.370 0.000 1.201 128 A CA 0.384 52.284 52.037 -0.228 0.000 0.824 128 A CB 0.094 18.989 19.000 -0.176 0.000 0.838 128 A HN 0.158 nan 8.150 nan 0.000 0.485 129 R N -3.114 117.044 120.500 -0.570 0.000 2.977 129 R HA 0.295 4.834 4.340 0.332 0.000 0.161 129 R C 1.176 176.907 176.300 -0.949 0.000 0.805 129 R CA 0.339 55.778 56.100 -1.102 0.000 1.044 129 R CB -0.118 29.078 30.300 -1.840 0.000 1.433 129 R HN 0.388 nan 8.270 nan 0.000 0.570 130 F N 2.082 121.579 119.950 -0.756 0.000 2.234 130 F HA 0.115 4.838 4.527 0.327 0.000 0.296 130 F C -1.375 174.242 175.800 -0.305 0.000 1.089 130 F CA -0.125 57.555 58.000 -0.532 0.000 1.343 130 F CB -0.695 37.762 39.000 -0.904 0.000 1.040 130 F HN -0.171 nan 8.300 nan 0.000 0.498 131 P HA 0.096 nan 4.420 nan 0.000 0.262 131 P C 0.617 177.894 177.300 -0.039 0.000 1.199 131 P CA 1.406 64.469 63.100 -0.062 0.000 0.763 131 P CB 0.193 31.854 31.700 -0.065 0.000 0.790 132 G N 2.888 111.685 108.800 -0.004 0.000 2.148 132 G HA2 -0.374 3.785 3.960 0.332 0.000 0.254 132 G HA3 -0.374 3.785 3.960 0.332 0.000 0.254 132 G C 1.054 175.954 174.900 0.000 0.000 0.981 132 G CA 0.247 45.347 45.100 0.001 0.000 0.670 132 G HN 0.687 nan 8.290 nan 0.000 0.528 133 C N -1.273 118.034 119.300 0.013 0.000 2.481 133 C HA 0.530 5.189 4.460 0.332 0.000 0.275 133 C C 2.304 177.287 174.990 -0.012 0.000 1.419 133 C CA 1.138 60.163 59.018 0.012 0.000 1.773 133 C CB -0.648 27.129 27.740 0.061 0.000 1.862 133 C HN 0.467 nan 8.230 nan 0.000 0.530 134 M N 0.796 120.399 119.600 0.004 0.000 2.493 134 M HA 0.172 4.851 4.480 0.332 0.000 0.244 134 M C 0.568 176.859 176.300 -0.016 0.000 1.182 134 M CA 0.025 55.319 55.300 -0.010 0.000 0.981 134 M CB -0.232 32.369 32.600 0.002 0.000 1.551 134 M HN 0.253 nan 8.290 nan 0.000 0.476 135 K N 0.989 121.379 120.400 -0.016 0.000 2.447 135 K HA 0.151 4.670 4.320 0.332 0.000 0.281 135 K C 1.097 177.676 176.600 -0.034 0.000 1.031 135 K CA 1.129 57.403 56.287 -0.022 0.000 1.019 135 K CB 0.198 32.687 32.500 -0.018 0.000 0.918 135 K HN 0.443 nan 8.250 nan 0.000 0.476 136 G N 3.355 112.123 108.800 -0.053 0.000 2.148 136 G HA2 -0.290 3.869 3.960 0.332 0.000 0.254 136 G HA3 -0.290 3.869 3.960 0.332 0.000 0.254 136 G C -0.203 174.672 174.900 -0.041 0.000 0.981 136 G CA 0.340 45.404 45.100 -0.061 0.000 0.670 136 G HN 0.620 nan 8.290 nan 0.000 0.528 137 R N -0.529 119.950 120.500 -0.035 0.000 2.892 137 R HA 0.619 5.157 4.340 0.332 0.000 0.265 137 R C -0.515 175.778 176.300 -0.012 0.000 1.025 137 R CA -0.617 55.483 56.100 0.001 0.000 0.982 137 R CB 1.071 31.376 30.300 0.008 0.000 1.185 137 R HN 0.106 nan 8.270 nan 0.000 0.484 138 T N 2.287 116.833 114.554 -0.013 0.000 2.832 138 T HA 0.163 4.712 4.350 0.332 0.000 0.296 138 T C 0.183 174.728 174.700 -0.259 0.000 0.968 138 T CA -0.160 61.839 62.100 -0.169 0.000 1.107 138 T CB 0.521 69.117 68.868 -0.453 0.000 0.916 138 T HN 0.345 nan 8.240 nan 0.000 0.517 139 M N 5.079 124.573 119.600 -0.176 0.000 2.108 139 M HA 0.313 4.992 4.480 0.332 0.000 0.347 139 M C -1.441 174.769 176.300 -0.151 0.000 1.326 139 M CA -0.520 54.719 55.300 -0.102 0.000 1.126 139 M CB -0.021 32.544 32.600 -0.059 0.000 1.606 139 M HN 0.555 nan 8.290 nan 0.000 0.462 140 Y N 3.845 124.193 120.300 0.081 0.000 2.316 140 Y HA 0.400 5.148 4.550 0.331 0.000 0.331 140 Y C -0.043 175.919 175.900 0.103 0.000 1.083 140 Y CA -0.620 57.537 58.100 0.095 0.000 1.206 140 Y CB 0.949 39.427 38.460 0.031 0.000 1.195 140 Y HN 0.335 nan 8.280 nan 0.000 0.497 141 V N 5.984 126.055 119.914 0.262 0.000 2.328 141 V HA 0.279 4.598 4.120 0.332 0.000 0.278 141 V C -0.111 176.114 176.094 0.218 0.000 1.021 141 V CA -0.722 61.693 62.300 0.193 0.000 0.838 141 V CB 0.568 32.461 31.823 0.116 0.000 0.999 141 V HN 0.585 nan 8.190 nan 0.000 0.447 142 I N 8.137 128.851 120.570 0.240 0.000 2.307 142 I HA 0.327 4.696 4.170 0.332 0.000 0.287 142 I C -2.388 173.915 176.117 0.311 0.000 1.054 142 I CA -1.856 59.596 61.300 0.252 0.000 1.218 142 I CB 1.512 39.646 38.000 0.223 0.000 1.398 142 I HN 0.407 nan 8.210 nan 0.000 0.475 143 P HA 0.283 nan 4.420 nan 0.000 0.286 143 P C -1.001 176.426 177.300 0.213 0.000 1.269 143 P CA -0.137 63.034 63.100 0.118 0.000 0.787 143 P CB 0.430 32.143 31.700 0.022 0.000 0.920 144 F N -0.448 119.539 119.950 0.061 0.000 2.591 144 F HA 0.700 5.408 4.527 0.302 0.000 0.309 144 F C -0.719 175.118 175.800 0.062 0.000 1.098 144 F CA -1.301 56.725 58.000 0.043 0.000 0.937 144 F CB 1.309 40.330 39.000 0.035 0.000 1.250 144 F HN 0.144 nan 8.300 nan 0.000 0.447 145 S N 4.120 119.885 115.700 0.108 0.000 2.442 145 S HA 0.609 5.278 4.470 0.332 0.000 0.297 145 S C -0.466 174.168 174.600 0.057 0.000 1.131 145 S CA -0.798 57.418 58.200 0.026 0.000 1.092 145 S CB 0.441 63.639 63.200 -0.003 0.000 0.998 145 S HN 0.604 nan 8.310 nan 0.000 0.478 146 M N 4.513 124.099 119.600 -0.025 0.000 2.077 146 M HA 0.452 5.131 4.480 0.332 0.000 0.348 146 M C 0.747 176.891 176.300 -0.261 0.000 1.252 146 M CA 0.125 55.286 55.300 -0.231 0.000 1.096 146 M CB -0.407 31.888 32.600 -0.509 0.000 1.568 146 M HN 1.007 nan 8.290 nan 0.000 0.456 147 G N 5.625 114.264 108.800 -0.268 0.000 2.570 147 G HA2 -0.030 4.129 3.960 0.332 0.000 0.686 147 G HA3 -0.030 4.129 3.960 0.332 0.000 0.686 147 G C -3.367 171.434 174.900 -0.166 0.000 1.257 147 G CA -1.416 43.551 45.100 -0.222 0.000 0.846 147 G HN 0.388 nan 8.290 nan 0.000 0.627 148 P HA 0.316 nan 4.420 nan 0.000 0.264 148 P C 0.483 177.704 177.300 -0.133 0.000 1.193 148 P CA -0.273 62.703 63.100 -0.207 0.000 0.763 148 P CB 0.411 31.967 31.700 -0.240 0.000 0.810 149 L N 3.484 124.638 121.223 -0.115 0.000 2.601 149 L HA 0.109 4.648 4.340 0.332 0.000 0.277 149 L C 1.777 178.602 176.870 -0.074 0.000 1.219 149 L CA 2.127 56.922 54.840 -0.076 0.000 0.915 149 L CB -1.120 40.900 42.059 -0.065 0.000 1.160 149 L HN 0.830 nan 8.230 nan 0.000 0.494 150 G N 1.838 110.605 108.800 -0.055 0.000 2.199 150 G HA2 -0.299 3.860 3.960 0.332 0.000 0.254 150 G HA3 -0.299 3.860 3.960 0.332 0.000 0.254 150 G C 0.560 175.424 174.900 -0.060 0.000 0.982 150 G CA 0.248 45.317 45.100 -0.052 0.000 0.632 150 G HN 0.819 nan 8.290 nan 0.000 0.529 151 S N 1.301 116.958 115.700 -0.072 0.000 2.525 151 S HA 0.402 5.071 4.470 0.332 0.000 0.285 151 S C -0.063 174.498 174.600 -0.064 0.000 1.283 151 S CA -0.043 58.111 58.200 -0.077 0.000 1.072 151 S CB 1.008 64.154 63.200 -0.089 0.000 0.867 151 S HN 0.113 nan 8.310 nan 0.000 0.492 152 P HA -0.062 nan 4.420 nan 0.000 0.220 152 P C 0.776 178.003 177.300 -0.122 0.000 1.144 152 P CA 1.083 64.132 63.100 -0.084 0.000 0.800 152 P CB 0.085 31.732 31.700 -0.087 0.000 0.772 153 L N -2.632 118.518 121.223 -0.122 0.000 2.567 153 L HA 0.200 4.739 4.340 0.332 0.000 0.225 153 L C 1.151 178.031 176.870 0.016 0.000 1.119 153 L CA -0.442 54.297 54.840 -0.168 0.000 0.871 153 L CB -0.461 41.509 42.059 -0.148 0.000 1.036 153 L HN -0.124 nan 8.230 nan 0.000 0.459 154 A N 1.007 123.855 122.820 0.046 0.000 2.407 154 A HA 0.401 4.920 4.320 0.332 0.000 0.248 154 A C -0.022 177.684 177.584 0.203 0.000 1.082 154 A CA 0.049 52.168 52.037 0.138 0.000 0.785 154 A CB 0.346 19.359 19.000 0.020 0.000 1.020 154 A HN 0.095 nan 8.150 nan 0.000 0.489 155 K N 1.950 122.560 120.400 0.350 0.000 2.443 155 K HA 0.479 4.998 4.320 0.332 0.000 0.252 155 K C -1.316 175.474 176.600 0.316 0.000 0.933 155 K CA -0.281 56.226 56.287 0.367 0.000 0.792 155 K CB 2.155 35.015 32.500 0.600 0.000 1.185 155 K HN 0.648 nan 8.250 nan 0.000 0.425 156 I N 1.286 121.977 120.570 0.201 0.000 2.440 156 I HA 0.355 4.724 4.170 0.332 0.000 0.294 156 I C 0.747 176.880 176.117 0.027 0.000 0.995 156 I CA -0.243 61.083 61.300 0.044 0.000 1.306 156 I CB 1.669 39.672 38.000 0.004 0.000 1.407 156 I HN 0.661 nan 8.210 nan 0.000 0.501 157 G N 6.101 114.650 108.800 -0.419 0.000 2.658 157 G HA2 0.733 4.892 3.960 0.332 0.000 0.292 157 G HA3 0.733 4.892 3.960 0.332 0.000 0.292 157 G C -1.142 173.447 174.900 -0.517 0.000 1.320 157 G CA -0.435 44.384 45.100 -0.468 0.000 0.933 157 G HN 0.321 nan 8.290 nan 0.000 0.476 158 I N 0.783 121.343 120.570 -0.017 0.000 2.439 158 I HA 0.353 4.722 4.170 0.332 0.000 0.285 158 I C -0.506 175.924 176.117 0.522 0.000 1.021 158 I CA -0.631 60.783 61.300 0.190 0.000 1.091 158 I CB 1.595 39.652 38.000 0.094 0.000 1.242 158 I HN 0.639 nan 8.210 nan 0.000 0.439 159 E N 7.122 127.683 120.200 0.602 0.000 2.151 159 E HA 0.608 5.157 4.350 0.332 0.000 0.275 159 E C -1.478 175.337 176.600 0.359 0.000 0.936 159 E CA -0.588 56.118 56.400 0.510 0.000 0.777 159 E CB 1.477 31.419 29.700 0.404 0.000 1.108 159 E HN 0.499 nan 8.360 nan 0.000 0.401 160 L N 3.629 125.039 121.223 0.311 0.000 2.307 160 L HA 0.563 5.102 4.340 0.332 0.000 0.284 160 L C 0.082 177.092 176.870 0.232 0.000 1.023 160 L CA -0.614 54.334 54.840 0.179 0.000 0.810 160 L CB 1.887 43.936 42.059 -0.016 0.000 1.231 160 L HN 0.513 nan 8.230 nan 0.000 0.423 161 T N -0.743 113.955 114.554 0.242 0.000 2.889 161 T HA 0.271 4.819 4.350 0.332 0.000 0.315 161 T C -0.653 174.213 174.700 0.276 0.000 1.291 161 T CA -0.598 61.677 62.100 0.293 0.000 1.028 161 T CB 1.543 70.606 68.868 0.324 0.000 1.235 161 T HN 0.742 nan 8.240 nan 0.000 0.491 162 D N 1.201 121.719 120.400 0.196 0.000 2.363 162 D HA 0.214 5.053 4.640 0.332 0.000 0.214 162 D C 0.433 176.851 176.300 0.196 0.000 1.093 162 D CA -0.171 53.935 54.000 0.178 0.000 0.837 162 D CB 0.283 41.106 40.800 0.038 0.000 0.948 162 D HN 0.261 nan 8.370 nan 0.000 0.507 163 S N 0.822 116.629 115.700 0.178 0.000 2.448 163 S HA 0.394 5.062 4.470 0.332 0.000 0.320 163 S C -1.889 172.665 174.600 -0.076 0.000 1.071 163 S CA -1.494 56.740 58.200 0.057 0.000 1.113 163 S CB 1.568 64.802 63.200 0.056 0.000 0.972 163 S HN -0.255 nan 8.310 nan 0.000 0.465 164 P HA -0.110 nan 4.420 nan 0.000 0.218 164 P C 0.988 178.171 177.300 -0.195 0.000 1.148 164 P CA 0.827 63.704 63.100 -0.372 0.000 0.822 164 P CB -0.109 31.455 31.700 -0.227 0.000 0.784 165 Y N 0.528 120.717 120.300 -0.185 0.000 2.165 165 Y HA -0.239 4.508 4.550 0.327 0.000 0.286 165 Y C 2.021 177.855 175.900 -0.110 0.000 1.155 165 Y CA 1.452 59.486 58.100 -0.110 0.000 1.164 165 Y CB -0.940 37.479 38.460 -0.068 0.000 0.978 165 Y HN -0.269 nan 8.280 nan 0.000 0.513 166 V N -0.888 118.997 119.914 -0.049 0.000 2.358 166 V HA -0.307 4.012 4.120 0.332 0.000 0.246 166 V C 2.352 178.313 176.094 -0.221 0.000 1.047 166 V CA 1.650 63.859 62.300 -0.151 0.000 1.035 166 V CB -0.857 30.918 31.823 -0.081 0.000 0.658 166 V HN 0.367 nan 8.190 nan 0.000 0.452 167 V N 0.496 120.277 119.914 -0.221 0.000 2.255 167 V HA -0.312 4.007 4.120 0.332 0.000 0.247 167 V C 2.743 178.727 176.094 -0.183 0.000 1.051 167 V CA 2.304 64.469 62.300 -0.225 0.000 1.018 167 V CB -1.287 30.308 31.823 -0.380 0.000 0.641 167 V HN 0.564 nan 8.190 nan 0.000 0.445 168 A N -0.280 122.436 122.820 -0.173 0.000 1.877 168 A HA -0.220 4.299 4.320 0.332 0.000 0.216 168 A C 2.462 179.972 177.584 -0.124 0.000 1.186 168 A CA 2.396 54.420 52.037 -0.021 0.000 0.620 168 A CB -0.792 18.174 19.000 -0.058 0.000 0.822 168 A HN 0.529 nan 8.150 nan 0.000 0.443 169 S N -0.448 115.070 115.700 -0.305 0.000 2.402 169 S HA -0.094 4.575 4.470 0.332 0.000 0.229 169 S C 1.937 176.364 174.600 -0.288 0.000 1.021 169 S CA 1.462 59.463 58.200 -0.333 0.000 0.974 169 S CB -0.271 62.614 63.200 -0.525 0.000 0.800 169 S HN 0.466 nan 8.310 nan 0.000 0.484 170 M N 0.977 120.405 119.600 -0.286 0.000 2.254 170 M HA 0.044 4.723 4.480 0.332 0.000 0.265 170 M C 2.196 178.356 176.300 -0.234 0.000 1.066 170 M CA 0.990 56.116 55.300 -0.290 0.000 1.123 170 M CB -0.940 31.480 32.600 -0.300 0.000 1.388 170 M HN 0.282 nan 8.290 nan 0.000 0.425 171 R N 0.620 120.987 120.500 -0.221 0.000 2.120 171 R HA -0.096 4.443 4.340 0.332 0.000 0.234 171 R C 1.909 178.058 176.300 -0.252 0.000 1.123 171 R CA 1.207 57.161 56.100 -0.243 0.000 0.975 171 R CB -0.095 29.984 30.300 -0.369 0.000 0.866 171 R HN 0.318 nan 8.270 nan 0.000 0.446 172 I N -0.016 120.405 120.570 -0.248 0.000 2.277 172 I HA -0.192 4.177 4.170 0.332 0.000 0.243 172 I C 1.963 177.978 176.117 -0.170 0.000 1.094 172 I CA 0.710 61.894 61.300 -0.193 0.000 1.393 172 I CB -0.066 37.850 38.000 -0.138 0.000 1.078 172 I HN 0.145 nan 8.210 nan 0.000 0.417 173 M N 0.315 119.800 119.600 -0.192 0.000 2.558 173 M HA 0.074 4.753 4.480 0.332 0.000 0.255 173 M C 0.949 177.134 176.300 -0.191 0.000 1.113 173 M CA 0.741 55.922 55.300 -0.199 0.000 1.097 173 M CB -1.149 31.299 32.600 -0.255 0.000 1.426 173 M HN 0.361 nan 8.290 nan 0.000 0.488 174 T N -1.570 112.881 114.554 -0.172 0.000 2.838 174 T HA 0.624 5.173 4.350 0.332 0.000 0.292 174 T C -0.438 174.232 174.700 -0.050 0.000 1.113 174 T CA -1.027 61.011 62.100 -0.104 0.000 1.008 174 T CB 2.167 70.974 68.868 -0.103 0.000 1.259 174 T HN 0.144 nan 8.240 nan 0.000 0.520 175 R N 1.007 121.511 120.500 0.007 0.000 2.198 175 R HA 0.632 5.171 4.340 0.332 0.000 0.339 175 R C -0.244 176.092 176.300 0.060 0.000 1.020 175 R CA -0.572 55.531 56.100 0.004 0.000 0.864 175 R CB 0.882 31.170 30.300 -0.020 0.000 1.105 175 R HN 0.773 nan 8.270 nan 0.000 0.463 176 M N 0.483 120.104 119.600 0.034 0.000 2.619 176 M HA 0.857 5.535 4.480 0.332 0.000 0.297 176 M C -0.082 176.243 176.300 0.042 0.000 1.229 176 M CA -0.259 55.088 55.300 0.078 0.000 0.860 176 M CB 2.474 35.132 32.600 0.097 0.000 1.741 176 M HN 0.552 nan 8.290 nan 0.000 0.462 177 G N 0.356 109.192 108.800 0.061 0.000 2.298 177 G HA2 0.024 4.183 3.960 0.332 0.000 0.309 177 G HA3 0.024 4.183 3.960 0.332 0.000 0.309 177 G C -0.068 174.851 174.900 0.032 0.000 1.279 177 G CA -0.190 44.937 45.100 0.046 0.000 1.042 177 G HN 0.907 nan 8.290 nan 0.000 0.480 178 T N 0.880 115.448 114.554 0.022 0.000 2.821 178 T HA -0.077 4.471 4.350 0.332 0.000 0.267 178 T C 2.895 177.595 174.700 0.000 0.000 1.046 178 T CA 3.029 65.135 62.100 0.010 0.000 1.139 178 T CB -0.554 68.319 68.868 0.008 0.000 0.871 178 T HN 1.522 nan 8.240 nan 0.000 0.454 179 S N 1.426 117.126 115.700 -0.001 0.000 2.400 179 S HA -0.103 4.566 4.470 0.332 0.000 0.232 179 S C 2.126 176.720 174.600 -0.011 0.000 1.025 179 S CA 0.986 59.181 58.200 -0.008 0.000 0.993 179 S CB -0.930 62.263 63.200 -0.011 0.000 0.808 179 S HN 0.320 nan 8.310 nan 0.000 0.478 180 V N 1.889 121.799 119.914 -0.006 0.000 2.358 180 V HA -0.082 4.237 4.120 0.332 0.000 0.246 180 V C 2.568 178.645 176.094 -0.028 0.000 1.047 180 V CA 1.710 64.002 62.300 -0.013 0.000 1.035 180 V CB -0.823 30.999 31.823 -0.001 0.000 0.658 180 V HN 0.461 nan 8.190 nan 0.000 0.452 181 L N -0.401 120.806 121.223 -0.028 0.000 2.093 181 L HA -0.167 4.371 4.340 0.332 0.000 0.208 181 L C 2.599 179.451 176.870 -0.029 0.000 1.085 181 L CA 1.545 56.360 54.840 -0.042 0.000 0.755 181 L CB -0.459 41.580 42.059 -0.034 0.000 0.904 181 L HN 0.407 nan 8.230 nan 0.000 0.435 182 E N 0.054 120.242 120.200 -0.019 0.000 2.028 182 E HA -0.218 4.331 4.350 0.332 0.000 0.191 182 E C 2.320 178.912 176.600 -0.013 0.000 0.988 182 E CA 1.113 57.505 56.400 -0.014 0.000 0.799 182 E CB -0.258 29.435 29.700 -0.011 0.000 0.755 182 E HN 0.473 nan 8.360 nan 0.000 0.447 183 A N 1.553 124.364 122.820 -0.015 0.000 1.915 183 A HA -0.254 4.265 4.320 0.332 0.000 0.220 183 A C 2.233 179.812 177.584 -0.009 0.000 1.198 183 A CA 1.710 53.739 52.037 -0.014 0.000 0.647 183 A CB -0.811 18.178 19.000 -0.018 0.000 0.825 183 A HN 0.257 nan 8.150 nan 0.000 0.456 184 L N -1.108 120.107 121.223 -0.013 0.000 1.989 184 L HA 0.134 4.673 4.340 0.332 0.000 0.211 184 L C 1.775 178.652 176.870 0.013 0.000 1.071 184 L CA 2.327 57.166 54.840 -0.002 0.000 0.749 184 L CB -1.242 40.796 42.059 -0.034 0.000 0.890 184 L HN 0.948 nan 8.230 nan 0.000 0.431 185 G N -0.879 107.922 108.800 0.003 0.000 2.596 185 G HA2 -0.399 3.760 3.960 0.332 0.000 0.295 185 G HA3 -0.399 3.760 3.960 0.332 0.000 0.295 185 G C 0.492 175.412 174.900 0.033 0.000 1.240 185 G CA 0.411 45.518 45.100 0.012 0.000 0.985 185 G HN 0.400 nan 8.290 nan 0.000 0.555 186 D N 2.340 122.763 120.400 0.039 0.000 2.319 186 D HA 0.317 5.156 4.640 0.332 0.000 0.230 186 D C 1.488 177.831 176.300 0.072 0.000 1.094 186 D CA 0.968 55.002 54.000 0.057 0.000 0.856 186 D CB -0.445 40.378 40.800 0.038 0.000 0.915 186 D HN 0.688 nan 8.370 nan 0.000 0.517 187 G N 0.308 109.154 108.800 0.077 0.000 2.651 187 G HA2 0.135 4.294 3.960 0.332 0.000 0.260 187 G HA3 0.135 4.294 3.960 0.332 0.000 0.260 187 G C 0.135 175.109 174.900 0.124 0.000 1.216 187 G CA -0.476 44.669 45.100 0.075 0.000 0.913 187 G HN 0.022 nan 8.290 nan 0.000 0.535 188 E N -0.960 119.273 120.200 0.055 0.000 2.349 188 E HA 0.483 5.032 4.350 0.332 0.000 0.265 188 E C -0.772 175.865 176.600 0.062 0.000 1.064 188 E CA 0.007 56.387 56.400 -0.034 0.000 0.886 188 E CB 1.152 30.794 29.700 -0.098 0.000 1.036 188 E HN 0.403 nan 8.360 nan 0.000 0.413 189 F N -0.751 119.127 119.950 -0.119 0.000 2.631 189 F HA 0.478 5.199 4.527 0.323 0.000 0.308 189 F C -1.152 174.504 175.800 -0.240 0.000 1.097 189 F CA -1.523 56.385 58.000 -0.154 0.000 0.952 189 F CB 0.584 39.490 39.000 -0.156 0.000 1.307 189 F HN 0.097 nan 8.300 nan 0.000 0.450 190 I N 2.371 122.846 120.570 -0.159 0.000 2.441 190 I HA 0.238 4.607 4.170 0.332 0.000 0.287 190 I C -0.186 175.809 176.117 -0.203 0.000 1.049 190 I CA -0.620 60.466 61.300 -0.357 0.000 1.381 190 I CB 0.940 38.482 38.000 -0.763 0.000 1.409 190 I HN 0.626 nan 8.210 nan 0.000 0.523 191 K N 5.202 125.391 120.400 -0.352 0.000 2.248 191 K HA 0.393 4.911 4.320 0.332 0.000 0.281 191 K C -1.046 175.512 176.600 -0.069 0.000 1.054 191 K CA -0.114 55.874 56.287 -0.499 0.000 0.903 191 K CB 0.795 32.776 32.500 -0.864 0.000 1.077 191 K HN 0.539 nan 8.250 nan 0.000 0.474 192 C N 4.436 123.893 119.300 0.261 0.000 2.316 192 C HA 0.468 5.127 4.460 0.332 0.000 0.324 192 C C -1.013 174.277 174.990 0.499 0.000 1.226 192 C CA -1.019 58.218 59.018 0.366 0.000 1.450 192 C CB -0.228 27.765 27.740 0.422 0.000 2.123 192 C HN 0.720 nan 8.230 nan 0.000 0.454 193 L N 4.724 126.184 121.223 0.396 0.000 2.341 193 L HA 0.663 5.202 4.340 0.332 0.000 0.278 193 L C -0.580 176.526 176.870 0.393 0.000 1.005 193 L CA 0.240 55.282 54.840 0.337 0.000 0.818 193 L CB 0.847 43.025 42.059 0.198 0.000 1.259 193 L HN 0.818 nan 8.230 nan 0.000 0.418 194 H N 3.301 122.547 119.070 0.294 0.000 2.771 194 H HA 0.643 5.402 4.556 0.337 0.000 0.361 194 H C -1.914 173.579 175.328 0.276 0.000 1.108 194 H CA -0.381 55.847 56.048 0.300 0.000 1.201 194 H CB 2.077 31.951 29.762 0.188 0.000 1.681 194 H HN 0.730 nan 8.280 nan 0.000 0.534 195 S N 3.401 118.828 115.700 -0.455 0.000 2.540 195 S HA 0.195 4.864 4.470 0.332 0.000 0.275 195 S C 1.069 175.112 174.600 -0.928 0.000 1.123 195 S CA -0.195 57.667 58.200 -0.564 0.000 0.907 195 S CB 1.228 64.295 63.200 -0.221 0.000 1.081 195 S HN 0.579 nan 8.310 nan 0.000 0.476 196 V N 2.030 121.534 119.914 -0.684 0.000 2.913 196 V HA 0.312 4.631 4.120 0.332 0.000 0.260 196 V C 1.484 177.165 176.094 -0.687 0.000 1.098 196 V CA 1.292 63.262 62.300 -0.549 0.000 1.121 196 V CB -1.504 30.104 31.823 -0.358 0.000 0.714 196 V HN 2.029 nan 8.190 nan 0.000 0.487 197 G N -0.754 107.535 108.800 -0.851 0.000 2.212 197 G HA2 -0.230 3.929 3.960 0.332 0.000 0.255 197 G HA3 -0.230 3.929 3.960 0.332 0.000 0.255 197 G C -0.042 174.649 174.900 -0.347 0.000 1.062 197 G CA -0.030 44.498 45.100 -0.953 0.000 0.815 197 G HN 0.903 nan 8.290 nan 0.000 0.497 198 C N 1.724 120.877 119.300 -0.245 0.000 3.495 198 C HA 0.408 5.067 4.460 0.332 0.000 0.201 198 C C -1.453 173.481 174.990 -0.093 0.000 1.408 198 C CA -1.406 57.530 59.018 -0.136 0.000 1.367 198 C CB 0.499 28.157 27.740 -0.137 0.000 1.845 198 C HN 0.519 nan 8.230 nan 0.000 0.500 199 P HA 0.147 nan 4.420 nan 0.000 0.269 199 P C -0.590 176.688 177.300 -0.036 0.000 1.209 199 P CA 0.433 63.506 63.100 -0.045 0.000 0.776 199 P CB 0.970 32.652 31.700 -0.030 0.000 0.876 200 L N 4.107 125.312 121.223 -0.030 0.000 2.326 200 L HA 0.342 4.880 4.340 0.332 0.000 0.278 200 L C -1.886 174.971 176.870 -0.022 0.000 1.092 200 L CA -2.068 52.758 54.840 -0.023 0.000 0.810 200 L CB 0.501 42.549 42.059 -0.019 0.000 1.153 200 L HN 0.219 nan 8.230 nan 0.000 0.439 201 P HA 0.192 nan 4.420 nan 0.000 0.275 201 P C -0.611 176.679 177.300 -0.015 0.000 1.227 201 P CA -0.434 62.657 63.100 -0.014 0.000 0.781 201 P CB 0.543 32.236 31.700 -0.011 0.000 0.906 202 L N 3.358 124.572 121.223 -0.014 0.000 2.455 202 L HA 0.047 4.586 4.340 0.332 0.000 0.272 202 L C 1.626 178.489 176.870 -0.011 0.000 1.174 202 L CA 0.245 55.076 54.840 -0.016 0.000 0.869 202 L CB 0.229 42.280 42.059 -0.014 0.000 1.130 202 L HN 0.393 nan 8.230 nan 0.000 0.474 203 K N 2.464 122.857 120.400 -0.012 0.000 2.352 203 K HA 0.163 4.682 4.320 0.332 0.000 0.194 203 K C 0.054 176.652 176.600 -0.004 0.000 1.038 203 K CA 0.455 56.738 56.287 -0.008 0.000 1.023 203 K CB 0.430 32.926 32.500 -0.008 0.000 0.840 203 K HN 0.529 nan 8.250 nan 0.000 0.519 204 K N 1.530 121.927 120.400 -0.004 0.000 2.328 204 K HA 0.373 4.892 4.320 0.332 0.000 0.246 204 K C -2.746 173.856 176.600 0.003 0.000 0.955 204 K CA -2.107 54.180 56.287 0.001 0.000 0.817 204 K CB 1.358 33.860 32.500 0.003 0.000 1.208 204 K HN -0.233 nan 8.250 nan 0.000 0.432 205 P HA -0.020 nan 4.420 nan 0.000 0.265 205 P C -1.009 176.302 177.300 0.018 0.000 1.193 205 P CA -0.425 62.682 63.100 0.013 0.000 0.765 205 P CB 0.321 32.030 31.700 0.015 0.000 0.823 206 L N 4.988 126.222 121.223 0.019 0.000 2.281 206 L HA 0.241 4.780 4.340 0.332 0.000 0.285 206 L C -0.719 176.178 176.870 0.046 0.000 1.074 206 L CA -0.156 54.702 54.840 0.030 0.000 0.817 206 L CB 0.726 42.797 42.059 0.021 0.000 1.168 206 L HN 0.071 nan 8.230 nan 0.000 0.434 207 V N 6.026 125.983 119.914 0.071 0.000 2.394 207 V HA 0.362 4.681 4.120 0.332 0.000 0.282 207 V C 0.244 176.404 176.094 0.110 0.000 1.031 207 V CA -0.774 61.570 62.300 0.073 0.000 0.881 207 V CB 1.184 33.045 31.823 0.063 0.000 0.982 207 V HN 0.904 nan 8.190 nan 0.000 0.451 208 N N 3.757 122.503 118.700 0.076 0.000 2.721 208 N HA -0.240 4.699 4.740 0.332 0.000 0.249 208 N C 0.422 176.021 175.510 0.148 0.000 1.072 208 N CA 1.171 54.273 53.050 0.087 0.000 0.710 208 N CB -1.482 37.039 38.487 0.058 0.000 0.993 208 N HN 1.011 nan 8.380 nan 0.000 0.547 209 N N -2.155 116.620 118.700 0.125 0.000 2.710 209 N HA -0.226 4.713 4.740 0.332 0.000 0.249 209 N C -0.990 174.630 175.510 0.184 0.000 1.059 209 N CA 1.255 54.376 53.050 0.118 0.000 0.720 209 N CB -0.742 37.799 38.487 0.091 0.000 0.983 209 N HN 0.606 nan 8.380 nan 0.000 0.544 210 W N 1.018 122.310 121.300 -0.013 0.000 2.466 210 W HA 0.664 5.518 4.660 0.324 0.000 0.303 210 W C -0.565 175.940 176.519 -0.024 0.000 0.999 210 W CA -0.923 56.407 57.345 -0.025 0.000 1.437 210 W CB 0.578 30.027 29.460 -0.018 0.000 1.274 210 W HN 0.076 nan 8.180 nan 0.000 0.417 211 A N 5.183 127.808 122.820 -0.324 0.000 2.454 211 A HA 0.530 5.049 4.320 0.332 0.000 0.260 211 A C -0.023 177.358 177.584 -0.338 0.000 1.106 211 A CA 0.535 52.415 52.037 -0.263 0.000 0.780 211 A CB -0.308 18.542 19.000 -0.251 0.000 1.044 211 A HN 0.871 nan 8.150 nan 0.000 0.498 212 C N 1.046 120.263 119.300 -0.139 0.000 3.306 212 C HA 0.777 5.436 4.460 0.332 0.000 0.335 212 C C -0.884 174.065 174.990 -0.068 0.000 1.382 212 C CA -0.977 57.989 59.018 -0.086 0.000 1.254 212 C CB 1.564 29.380 27.740 0.127 0.000 1.555 212 C HN 0.785 nan 8.230 nan 0.000 0.463 213 N N 0.914 119.567 118.700 -0.080 0.000 2.725 213 N HA 0.409 5.348 4.740 0.332 0.000 0.248 213 N C -2.204 173.321 175.510 0.025 0.000 1.402 213 N CA -1.388 51.636 53.050 -0.043 0.000 0.766 213 N CB 1.421 39.844 38.487 -0.107 0.000 1.223 213 N HN 0.482 nan 8.380 nan 0.000 0.515 214 P HA -0.085 nan 4.420 nan 0.000 0.216 214 P C 0.689 178.033 177.300 0.073 0.000 1.150 214 P CA 1.303 64.445 63.100 0.070 0.000 0.837 214 P CB 0.614 32.353 31.700 0.065 0.000 0.786 215 E N -0.893 119.346 120.200 0.065 0.000 2.153 215 E HA -0.067 4.482 4.350 0.332 0.000 0.194 215 E C 1.425 178.071 176.600 0.078 0.000 0.988 215 E CA 0.874 57.311 56.400 0.061 0.000 0.811 215 E CB -0.559 29.169 29.700 0.046 0.000 0.746 215 E HN 0.261 nan 8.360 nan 0.000 0.466 216 L N 0.419 121.712 121.223 0.116 0.000 2.769 216 L HA 0.188 4.727 4.340 0.332 0.000 0.240 216 L C 0.093 177.116 176.870 0.255 0.000 1.163 216 L CA -0.287 54.651 54.840 0.162 0.000 0.962 216 L CB 0.297 42.481 42.059 0.208 0.000 1.258 216 L HN -0.100 nan 8.230 nan 0.000 0.513 217 T N 2.423 117.093 114.554 0.194 0.000 2.871 217 T HA 0.252 4.801 4.350 0.332 0.000 0.296 217 T C -0.408 174.422 174.700 0.216 0.000 0.998 217 T CA 0.604 62.826 62.100 0.204 0.000 1.162 217 T CB 0.772 69.728 68.868 0.148 0.000 0.947 217 T HN -0.022 nan 8.240 nan 0.000 0.536 218 L N 5.125 126.513 121.223 0.275 0.000 2.543 218 L HA 0.590 5.129 4.340 0.332 0.000 0.265 218 L C -1.769 175.283 176.870 0.304 0.000 0.945 218 L CA -0.494 54.507 54.840 0.269 0.000 0.869 218 L CB 1.681 43.908 42.059 0.282 0.000 1.294 218 L HN 0.503 nan 8.230 nan 0.000 0.405 219 I N 5.021 125.736 120.570 0.242 0.000 2.390 219 I HA 0.780 5.149 4.170 0.332 0.000 0.283 219 I C -0.009 176.159 176.117 0.086 0.000 1.016 219 I CA -0.108 61.303 61.300 0.186 0.000 1.151 219 I CB 1.632 39.749 38.000 0.195 0.000 1.293 219 I HN 0.688 nan 8.210 nan 0.000 0.458 220 A N 5.046 127.847 122.820 -0.032 0.000 2.350 220 A HA 0.891 5.410 4.320 0.332 0.000 0.324 220 A C -1.159 176.163 177.584 -0.437 0.000 1.118 220 A CA -0.535 51.405 52.037 -0.163 0.000 0.783 220 A CB 0.559 19.412 19.000 -0.244 0.000 1.236 220 A HN 0.692 nan 8.150 nan 0.000 0.457 221 H N 0.563 119.561 119.070 -0.120 0.000 2.600 221 H HA 0.618 5.338 4.556 0.274 0.000 0.357 221 H C -1.333 173.893 175.328 -0.169 0.000 1.106 221 H CA -0.635 55.358 56.048 -0.090 0.000 1.193 221 H CB 1.380 31.145 29.762 0.005 0.000 1.594 221 H HN 0.381 nan 8.280 nan 0.000 0.526 222 L N 4.828 126.009 121.223 -0.069 0.000 2.495 222 L HA 0.287 4.826 4.340 0.332 0.000 0.248 222 L C -1.764 175.065 176.870 -0.069 0.000 1.229 222 L CA -1.187 53.583 54.840 -0.116 0.000 0.942 222 L CB 1.514 43.450 42.059 -0.205 0.000 1.242 222 L HN 0.535 nan 8.230 nan 0.000 0.484 223 P HA -0.161 nan 4.420 nan 0.000 0.218 223 P C 0.523 177.781 177.300 -0.071 0.000 1.148 223 P CA 1.315 64.391 63.100 -0.040 0.000 0.822 223 P CB 0.443 32.135 31.700 -0.013 0.000 0.784 224 D N -0.460 119.903 120.400 -0.060 0.000 2.269 224 D HA -0.045 4.794 4.640 0.332 0.000 0.208 224 D C 1.817 178.064 176.300 -0.089 0.000 0.963 224 D CA 0.695 54.655 54.000 -0.067 0.000 0.864 224 D CB -0.023 40.751 40.800 -0.043 0.000 0.936 224 D HN 0.292 nan 8.370 nan 0.000 0.505 225 R N 0.219 120.657 120.500 -0.104 0.000 2.334 225 R HA 0.177 4.716 4.340 0.332 0.000 0.216 225 R C 0.134 176.329 176.300 -0.174 0.000 0.905 225 R CA -0.251 55.771 56.100 -0.130 0.000 1.064 225 R CB 0.636 30.861 30.300 -0.124 0.000 1.046 225 R HN -0.077 nan 8.270 nan 0.000 0.508 226 R N 1.351 121.751 120.500 -0.167 0.000 3.416 226 R HA -0.185 4.354 4.340 0.332 0.000 0.263 226 R C -1.074 175.086 176.300 -0.233 0.000 1.053 226 R CA 0.941 56.915 56.100 -0.210 0.000 0.705 226 R CB -1.964 28.177 30.300 -0.265 0.000 1.124 226 R HN 0.452 nan 8.270 nan 0.000 0.444 227 E N 0.088 120.186 120.200 -0.171 0.000 2.238 227 E HA 0.566 5.115 4.350 0.332 0.000 0.267 227 E C -0.243 176.301 176.600 -0.093 0.000 0.887 227 E CA -0.825 55.488 56.400 -0.144 0.000 0.769 227 E CB 1.735 31.359 29.700 -0.126 0.000 1.187 227 E HN 0.118 nan 8.360 nan 0.000 0.416 228 I N 3.621 124.166 120.570 -0.043 0.000 2.406 228 I HA 0.424 4.793 4.170 0.332 0.000 0.290 228 I C -0.672 175.474 176.117 0.048 0.000 0.999 228 I CA -0.503 60.775 61.300 -0.036 0.000 1.124 228 I CB 1.291 39.306 38.000 0.024 0.000 1.289 228 I HN 0.328 nan 8.210 nan 0.000 0.441 229 I N 4.945 125.539 120.570 0.040 0.000 2.468 229 I HA 0.333 4.702 4.170 0.332 0.000 0.285 229 I C -0.490 175.843 176.117 0.360 0.000 1.039 229 I CA -0.242 61.191 61.300 0.222 0.000 1.074 229 I CB 1.951 40.128 38.000 0.294 0.000 1.228 229 I HN 0.455 nan 8.210 nan 0.000 0.436 230 S N 6.729 122.724 115.700 0.493 0.000 2.594 230 S HA 0.691 5.359 4.470 0.332 0.000 0.296 230 S C -1.411 173.555 174.600 0.611 0.000 1.124 230 S CA -0.373 58.129 58.200 0.504 0.000 1.011 230 S CB 1.007 64.446 63.200 0.399 0.000 1.016 230 S HN 0.410 nan 8.310 nan 0.000 0.485 231 F N 3.597 123.711 119.950 0.273 0.000 2.556 231 F HA 0.671 5.394 4.527 0.327 0.000 0.314 231 F C 0.833 176.622 175.800 -0.017 0.000 1.106 231 F CA 0.574 58.558 58.000 -0.027 0.000 0.911 231 F CB 1.758 40.601 39.000 -0.261 0.000 1.190 231 F HN 0.839 nan 8.300 nan 0.000 0.448 232 G N 2.619 111.047 108.800 -0.620 0.000 2.232 232 G HA2 -0.179 3.980 3.960 0.332 0.000 0.226 232 G HA3 -0.179 3.980 3.960 0.332 0.000 0.226 232 G C -0.107 174.733 174.900 -0.100 0.000 0.996 232 G CA 0.102 44.962 45.100 -0.400 0.000 0.626 232 G HN 1.018 nan 8.290 nan 0.000 0.509 233 S N -0.121 115.617 115.700 0.063 0.000 2.500 233 S HA 0.633 5.302 4.470 0.332 0.000 0.301 233 S C 1.103 175.897 174.600 0.322 0.000 1.092 233 S CA 0.757 59.085 58.200 0.212 0.000 1.030 233 S CB 1.536 64.891 63.200 0.258 0.000 1.031 233 S HN 1.329 nan 8.310 nan 0.000 0.483 234 G N 2.397 111.367 108.800 0.283 0.000 3.088 234 G HA2 0.142 4.301 3.960 0.332 0.000 0.217 234 G HA3 0.142 4.301 3.960 0.332 0.000 0.217 234 G C -0.180 174.961 174.900 0.401 0.000 1.159 234 G CA -0.038 45.166 45.100 0.174 0.000 0.760 234 G HN 0.673 nan 8.290 nan 0.000 0.550 235 Y N 1.446 121.986 120.300 0.401 0.000 2.304 235 Y HA 0.416 5.161 4.550 0.325 0.000 0.328 235 Y C 1.612 177.659 175.900 0.244 0.000 1.123 235 Y CA 0.369 58.690 58.100 0.369 0.000 1.218 235 Y CB 1.168 39.774 38.460 0.242 0.000 1.207 235 Y HN 0.263 nan 8.280 nan 0.000 0.495 236 G N 3.845 112.606 108.800 -0.065 0.000 2.850 236 G HA2 -0.472 3.687 3.960 0.332 0.000 0.353 236 G HA3 -0.472 3.687 3.960 0.332 0.000 0.353 236 G C 1.462 176.338 174.900 -0.041 0.000 0.983 236 G CA 1.122 46.165 45.100 -0.095 0.000 0.832 236 G HN 1.235 nan 8.290 nan 0.000 0.889 237 G N -0.042 108.848 108.800 0.150 0.000 2.470 237 G HA2 -0.124 4.035 3.960 0.332 0.000 0.220 237 G HA3 -0.124 4.035 3.960 0.332 0.000 0.220 237 G C 1.525 176.515 174.900 0.150 0.000 1.121 237 G CA 1.429 46.608 45.100 0.132 0.000 0.766 237 G HN 0.563 nan 8.290 nan 0.000 0.553 238 N N 0.328 119.138 118.700 0.183 0.000 2.416 238 N HA -0.027 4.912 4.740 0.332 0.000 0.177 238 N C 2.236 177.801 175.510 0.092 0.000 1.036 238 N CA 1.316 54.477 53.050 0.184 0.000 0.901 238 N CB 0.338 38.970 38.487 0.242 0.000 0.976 238 N HN 0.504 nan 8.380 nan 0.000 0.444 239 S N -0.686 114.982 115.700 -0.053 0.000 2.670 239 S HA 0.226 4.895 4.470 0.332 0.000 0.241 239 S C 0.566 174.960 174.600 -0.344 0.000 1.077 239 S CA -0.403 57.548 58.200 -0.414 0.000 0.899 239 S CB 0.010 62.941 63.200 -0.449 0.000 0.835 239 S HN 0.011 nan 8.310 nan 0.000 0.481 240 L N 3.281 124.360 121.223 -0.241 0.000 2.356 240 L HA 0.409 4.948 4.340 0.332 0.000 0.282 240 L C 0.753 177.515 176.870 -0.180 0.000 1.132 240 L CA -0.294 54.378 54.840 -0.280 0.000 0.923 240 L CB 0.287 42.105 42.059 -0.400 0.000 1.278 240 L HN 0.235 nan 8.230 nan 0.000 0.436 241 L N 1.984 123.141 121.223 -0.111 0.000 2.313 241 L HA 0.008 4.547 4.340 0.332 0.000 0.214 241 L C 2.463 179.456 176.870 0.205 0.000 1.119 241 L CA 0.797 55.683 54.840 0.077 0.000 0.809 241 L CB -0.333 41.824 42.059 0.164 0.000 0.933 241 L HN 0.802 nan 8.230 nan 0.000 0.449 242 G N 0.517 109.329 108.800 0.019 0.000 2.442 242 G HA2 -0.295 3.864 3.960 0.332 0.000 0.219 242 G HA3 -0.295 3.864 3.960 0.332 0.000 0.219 242 G C 1.634 176.557 174.900 0.039 0.000 1.141 242 G CA 0.830 45.986 45.100 0.094 0.000 0.763 242 G HN 0.283 nan 8.290 nan 0.000 0.554 243 K N 0.004 120.376 120.400 -0.047 0.000 1.968 243 K HA -0.016 4.503 4.320 0.332 0.000 0.215 243 K C 2.448 179.052 176.600 0.007 0.000 1.040 243 K CA 1.170 57.412 56.287 -0.074 0.000 0.959 243 K CB -0.046 32.360 32.500 -0.156 0.000 0.740 243 K HN -0.003 nan 8.250 nan 0.000 0.443 244 K N 0.065 120.485 120.400 0.033 0.000 2.168 244 K HA 0.039 4.558 4.320 0.332 0.000 0.201 244 K C 2.393 179.132 176.600 0.232 0.000 1.049 244 K CA 0.780 57.090 56.287 0.039 0.000 0.974 244 K CB -0.488 32.051 32.500 0.065 0.000 0.792 244 K HN 0.297 nan 8.250 nan 0.000 0.463 245 C N 1.093 120.594 119.300 0.335 0.000 2.432 245 C HA -0.070 4.589 4.460 0.332 0.000 0.277 245 C C 2.541 177.838 174.990 0.511 0.000 1.249 245 C CA 0.376 59.701 59.018 0.512 0.000 1.725 245 C CB -0.813 27.166 27.740 0.398 0.000 2.028 245 C HN 0.346 nan 8.230 nan 0.000 0.477 246 F N 2.037 122.161 119.950 0.289 0.000 2.092 246 F HA 0.231 4.877 4.527 0.198 0.000 0.286 246 F C 2.387 178.409 175.800 0.371 0.000 1.116 246 F CA 1.354 59.548 58.000 0.324 0.000 1.185 246 F CB -1.319 37.904 39.000 0.372 0.000 1.034 246 F HN 0.115 nan 8.300 nan 0.000 0.479 247 A N 0.303 123.472 122.820 0.581 0.000 2.070 247 A HA -0.050 4.469 4.320 0.332 0.000 0.220 247 A C 2.224 180.153 177.584 0.575 0.000 1.159 247 A CA 1.769 54.166 52.037 0.600 0.000 0.656 247 A CB -0.743 18.361 19.000 0.174 0.000 0.800 247 A HN 0.514 nan 8.150 nan 0.000 0.453 248 L N -2.416 119.005 121.223 0.330 0.000 2.488 248 L HA 0.099 4.638 4.340 0.332 0.000 0.186 248 L C 2.727 179.728 176.870 0.218 0.000 1.124 248 L CA 0.175 55.150 54.840 0.225 0.000 0.838 248 L CB -0.491 41.565 42.059 -0.006 0.000 1.107 248 L HN 0.210 nan 8.230 nan 0.000 0.494 249 R N 0.466 121.077 120.500 0.185 0.000 2.064 249 R HA -0.074 4.465 4.340 0.332 0.000 0.228 249 R C 2.169 178.545 176.300 0.126 0.000 1.144 249 R CA 1.189 57.340 56.100 0.086 0.000 0.932 249 R CB -0.399 29.779 30.300 -0.203 0.000 0.833 249 R HN 0.202 nan 8.270 nan 0.000 0.429 250 I N 1.266 121.946 120.570 0.183 0.000 2.179 250 I HA -0.224 4.145 4.170 0.332 0.000 0.242 250 I C 2.621 178.788 176.117 0.082 0.000 1.088 250 I CA 1.511 62.886 61.300 0.125 0.000 1.357 250 I CB -1.280 36.774 38.000 0.090 0.000 1.051 250 I HN 0.204 nan 8.210 nan 0.000 0.409 251 A N 0.984 123.906 122.820 0.171 0.000 1.972 251 A HA -0.176 4.342 4.320 0.332 0.000 0.219 251 A C 2.457 179.886 177.584 -0.258 0.000 1.169 251 A CA 2.023 54.049 52.037 -0.018 0.000 0.635 251 A CB -0.725 18.332 19.000 0.095 0.000 0.810 251 A HN 0.578 nan 8.150 nan 0.000 0.446 252 S N -1.062 114.623 115.700 -0.024 0.000 2.453 252 S HA -0.064 4.605 4.470 0.332 0.000 0.231 252 S C 1.993 176.588 174.600 -0.009 0.000 1.005 252 S CA 0.834 59.063 58.200 0.050 0.000 0.949 252 S CB -0.254 63.157 63.200 0.351 0.000 0.774 252 S HN 0.482 nan 8.310 nan 0.000 0.510 253 R N 1.214 121.668 120.500 -0.077 0.000 2.066 253 R HA 0.256 4.795 4.340 0.332 0.000 0.224 253 R C 2.246 178.305 176.300 -0.402 0.000 1.122 253 R CA 0.935 56.862 56.100 -0.288 0.000 0.974 253 R CB -0.936 29.296 30.300 -0.113 0.000 0.871 253 R HN 0.479 nan 8.270 nan 0.000 0.435 254 L N 0.410 121.440 121.223 -0.322 0.000 2.013 254 L HA -0.207 4.332 4.340 0.332 0.000 0.212 254 L C 2.720 179.241 176.870 -0.582 0.000 1.073 254 L CA 1.693 56.346 54.840 -0.312 0.000 0.753 254 L CB -0.755 41.219 42.059 -0.142 0.000 0.890 254 L HN 0.164 nan 8.230 nan 0.000 0.432 255 A N 0.042 122.193 122.820 -1.115 0.000 1.873 255 A HA -0.301 4.218 4.320 0.332 0.000 0.218 255 A C 2.439 179.518 177.584 -0.841 0.000 1.193 255 A CA 2.267 53.324 52.037 -1.634 0.000 0.629 255 A CB -0.635 17.419 19.000 -1.577 0.000 0.826 255 A HN 0.358 nan 8.150 nan 0.000 0.447 256 K N -0.138 119.767 120.400 -0.826 0.000 2.044 256 K HA -0.242 4.277 4.320 0.332 0.000 0.210 256 K C 1.892 178.139 176.600 -0.589 0.000 1.049 256 K CA 2.020 57.684 56.287 -1.039 0.000 0.927 256 K CB -0.249 31.548 32.500 -1.171 0.000 0.713 256 K HN 0.696 nan 8.250 nan 0.000 0.443 257 E N -0.031 119.903 120.200 -0.443 0.000 2.106 257 E HA -0.168 4.381 4.350 0.332 0.000 0.192 257 E C 1.436 177.962 176.600 -0.123 0.000 0.984 257 E CA 1.310 57.563 56.400 -0.244 0.000 0.806 257 E CB 0.088 29.670 29.700 -0.198 0.000 0.750 257 E HN 0.458 nan 8.360 nan 0.000 0.458 258 E N -0.944 119.198 120.200 -0.097 0.000 2.498 258 E HA 0.151 4.700 4.350 0.332 0.000 0.203 258 E C 0.560 177.286 176.600 0.210 0.000 1.013 258 E CA 0.260 56.723 56.400 0.105 0.000 0.927 258 E CB 1.253 31.134 29.700 0.302 0.000 1.012 258 E HN 0.288 nan 8.360 nan 0.000 0.482 259 G N 1.604 110.489 108.800 0.141 0.000 2.142 259 G HA2 -0.187 3.971 3.960 0.332 0.000 0.225 259 G HA3 -0.187 3.971 3.960 0.332 0.000 0.225 259 G C -0.170 174.933 174.900 0.339 0.000 1.015 259 G CA 0.298 45.555 45.100 0.262 0.000 0.716 259 G HN 0.256 nan 8.290 nan 0.000 0.508 260 W N -1.221 120.159 121.300 0.133 0.000 3.518 260 W HA 0.849 5.698 4.660 0.316 0.000 0.331 260 W C -0.797 175.793 176.519 0.118 0.000 1.205 260 W CA -1.641 55.744 57.345 0.068 0.000 0.956 260 W CB 0.719 30.178 29.460 -0.002 0.000 1.645 260 W HN 0.144 nan 8.180 nan 0.000 0.615 261 L N 1.380 122.779 121.223 0.293 0.000 2.436 261 L HA 0.673 5.212 4.340 0.332 0.000 0.268 261 L C -0.488 176.550 176.870 0.281 0.000 0.974 261 L CA -0.975 53.942 54.840 0.128 0.000 0.826 261 L CB 1.835 43.889 42.059 -0.008 0.000 1.291 261 L HN 0.564 nan 8.230 nan 0.000 0.406 262 A N 2.628 125.562 122.820 0.190 0.000 2.323 262 A HA 0.791 5.310 4.320 0.332 0.000 0.305 262 A C -0.774 177.091 177.584 0.469 0.000 1.275 262 A CA -0.495 51.755 52.037 0.355 0.000 0.804 262 A CB 0.719 19.745 19.000 0.044 0.000 1.152 262 A HN 0.578 nan 8.150 nan 0.000 0.487 263 E N 0.629 121.145 120.200 0.528 0.000 2.312 263 E HA 0.200 4.748 4.350 0.332 0.000 0.267 263 E C -0.930 175.923 176.600 0.422 0.000 0.894 263 E CA -0.574 56.137 56.400 0.518 0.000 0.773 263 E CB 1.530 31.586 29.700 0.592 0.000 1.241 263 E HN 0.769 nan 8.360 nan 0.000 0.432 264 H N 2.679 121.901 119.070 0.253 0.000 2.799 264 H HA 0.283 5.053 4.556 0.357 0.000 0.225 264 H C -0.669 174.740 175.328 0.135 0.000 1.904 264 H CA -0.013 56.109 56.048 0.123 0.000 1.344 264 H CB -0.139 29.680 29.762 0.096 0.000 1.744 264 H HN 0.200 nan 8.280 nan 0.000 0.542 265 M N 3.793 123.480 119.600 0.144 0.000 2.395 265 M HA 0.171 4.850 4.480 0.332 0.000 0.307 265 M C -0.717 175.597 176.300 0.023 0.000 1.091 265 M CA -1.344 53.975 55.300 0.033 0.000 0.919 265 M CB 2.560 35.231 32.600 0.118 0.000 1.662 265 M HN 0.271 nan 8.290 nan 0.000 0.440 266 L N 1.597 122.792 121.223 -0.047 0.000 2.473 266 L HA 0.639 5.178 4.340 0.332 0.000 0.268 266 L C -0.939 175.964 176.870 0.055 0.000 1.215 266 L CA 0.243 55.094 54.840 0.018 0.000 0.823 266 L CB 0.113 42.174 42.059 0.003 0.000 1.099 266 L HN 0.568 nan 8.230 nan 0.000 0.483 267 I N 2.575 123.208 120.570 0.106 0.000 2.498 267 I HA 0.556 4.925 4.170 0.332 0.000 0.290 267 I C -0.918 175.307 176.117 0.180 0.000 1.032 267 I CA -0.749 60.639 61.300 0.147 0.000 1.073 267 I CB 1.882 39.977 38.000 0.158 0.000 1.251 267 I HN 0.704 nan 8.210 nan 0.000 0.426 268 L N 3.203 124.548 121.223 0.203 0.000 2.393 268 L HA 1.015 5.554 4.340 0.332 0.000 0.260 268 L C -0.336 176.646 176.870 0.187 0.000 1.002 268 L CA -0.437 54.515 54.840 0.187 0.000 0.818 268 L CB 1.696 43.827 42.059 0.120 0.000 1.369 268 L HN 0.526 nan 8.230 nan 0.000 0.412 269 G N 1.687 110.520 108.800 0.056 0.000 2.343 269 G HA2 0.675 4.834 3.960 0.332 0.000 0.319 269 G HA3 0.675 4.834 3.960 0.332 0.000 0.319 269 G C -1.267 173.565 174.900 -0.112 0.000 1.126 269 G CA -0.537 44.357 45.100 -0.343 0.000 0.889 269 G HN 0.904 nan 8.290 nan 0.000 0.457 270 I N 1.732 122.273 120.570 -0.048 0.000 2.466 270 I HA 0.488 4.857 4.170 0.332 0.000 0.289 270 I C -0.542 175.715 176.117 0.234 0.000 1.026 270 I CA -0.461 60.937 61.300 0.163 0.000 1.078 270 I CB 1.953 40.130 38.000 0.295 0.000 1.249 270 I HN 0.389 nan 8.210 nan 0.000 0.429 271 T N 6.756 121.398 114.554 0.147 0.000 2.797 271 T HA 0.328 4.877 4.350 0.332 0.000 0.279 271 T C -0.270 174.257 174.700 -0.290 0.000 0.991 271 T CA -0.659 61.444 62.100 0.005 0.000 0.979 271 T CB 0.952 69.797 68.868 -0.038 0.000 0.943 271 T HN 0.757 nan 8.240 nan 0.000 0.444 272 N N 2.439 120.703 118.700 -0.726 0.000 2.413 272 N HA 0.304 5.243 4.740 0.332 0.000 0.266 272 N C -2.143 172.795 175.510 -0.953 0.000 1.238 272 N CA -1.996 50.086 53.050 -1.613 0.000 0.972 272 N CB 0.889 38.157 38.487 -2.031 0.000 1.210 272 N HN 0.107 nan 8.380 nan 0.000 0.547 273 P HA -0.057 nan 4.420 nan 0.000 0.236 273 P C -0.273 176.838 177.300 -0.316 0.000 1.172 273 P CA 1.143 63.942 63.100 -0.501 0.000 0.759 273 P CB 0.079 31.535 31.700 -0.408 0.000 0.843 274 E N -1.696 118.310 120.200 -0.323 0.000 2.624 274 E HA 0.273 4.822 4.350 0.332 0.000 0.210 274 E C 1.052 177.570 176.600 -0.138 0.000 0.997 274 E CA 0.130 56.419 56.400 -0.185 0.000 0.999 274 E CB 0.001 29.614 29.700 -0.146 0.000 1.040 274 E HN 0.088 nan 8.360 nan 0.000 0.469 275 G N 2.659 111.360 108.800 -0.165 0.000 2.184 275 G HA2 -0.353 3.806 3.960 0.332 0.000 0.264 275 G HA3 -0.353 3.806 3.960 0.332 0.000 0.264 275 G C 0.318 175.191 174.900 -0.045 0.000 0.975 275 G CA 0.541 45.584 45.100 -0.095 0.000 0.642 275 G HN 0.224 nan 8.290 nan 0.000 0.536 276 K N 0.740 121.121 120.400 -0.033 0.000 2.297 276 K HA 0.485 5.004 4.320 0.332 0.000 0.286 276 K C 0.207 176.931 176.600 0.207 0.000 1.053 276 K CA -0.406 55.948 56.287 0.111 0.000 0.940 276 K CB 0.373 33.007 32.500 0.224 0.000 1.019 276 K HN 0.189 nan 8.250 nan 0.000 0.475 277 K N 4.051 124.541 120.400 0.150 0.000 2.221 277 K HA 0.291 4.810 4.320 0.332 0.000 0.258 277 K C -1.200 175.424 176.600 0.040 0.000 0.944 277 K CA -0.695 55.655 56.287 0.105 0.000 0.823 277 K CB 1.075 33.569 32.500 -0.010 0.000 1.113 277 K HN 0.477 nan 8.250 nan 0.000 0.431 278 K N 2.862 123.267 120.400 0.008 0.000 2.371 278 K HA 0.290 4.809 4.320 0.332 0.000 0.251 278 K C -1.424 175.092 176.600 -0.139 0.000 0.934 278 K CA -0.824 55.408 56.287 -0.092 0.000 0.798 278 K CB 1.610 33.944 32.500 -0.277 0.000 1.204 278 K HN 0.387 nan 8.250 nan 0.000 0.427 279 Y N 1.708 122.041 120.300 0.056 0.000 2.323 279 Y HA 0.370 5.119 4.550 0.332 0.000 0.331 279 Y C -0.339 175.604 175.900 0.071 0.000 1.092 279 Y CA -0.897 57.248 58.100 0.074 0.000 1.150 279 Y CB 0.902 39.401 38.460 0.065 0.000 1.200 279 Y HN 0.173 nan 8.280 nan 0.000 0.472 280 L N 2.668 124.026 121.223 0.224 0.000 2.381 280 L HA 0.784 5.323 4.340 0.332 0.000 0.268 280 L C -0.370 176.582 176.870 0.137 0.000 0.997 280 L CA -1.234 53.703 54.840 0.161 0.000 0.818 280 L CB 1.750 43.888 42.059 0.133 0.000 1.310 280 L HN 0.726 nan 8.230 nan 0.000 0.416 281 A N 2.105 124.982 122.820 0.095 0.000 2.337 281 A HA 0.988 5.507 4.320 0.332 0.000 0.329 281 A C -0.815 176.729 177.584 -0.067 0.000 1.146 281 A CA -0.210 51.856 52.037 0.048 0.000 0.800 281 A CB 1.466 20.521 19.000 0.092 0.000 1.220 281 A HN 0.875 nan 8.150 nan 0.000 0.472 282 A N 0.625 123.341 122.820 -0.173 0.000 2.422 282 A HA 0.801 5.320 4.320 0.332 0.000 0.302 282 A C -0.388 176.860 177.584 -0.559 0.000 1.041 282 A CA 0.079 51.839 52.037 -0.462 0.000 0.708 282 A CB 1.412 20.018 19.000 -0.657 0.000 1.257 282 A HN 2.283 nan 8.150 nan 0.000 0.414 283 A N 1.902 124.396 122.820 -0.544 0.000 2.285 283 A HA 0.774 5.293 4.320 0.332 0.000 0.310 283 A C -1.259 176.165 177.584 -0.267 0.000 1.266 283 A CA -0.251 51.626 52.037 -0.268 0.000 0.832 283 A CB -0.118 18.982 19.000 0.166 0.000 1.163 283 A HN 0.657 nan 8.150 nan 0.000 0.499 284 F N 2.520 122.450 119.950 -0.032 0.000 2.546 284 F HA 0.657 5.384 4.527 0.334 0.000 0.320 284 F C -2.107 173.687 175.800 -0.010 0.000 1.076 284 F CA -2.490 55.501 58.000 -0.015 0.000 0.928 284 F CB 1.454 40.458 39.000 0.006 0.000 1.189 284 F HN 0.320 nan 8.300 nan 0.000 0.465 285 P HA 0.194 nan 4.420 nan 0.000 0.323 285 P C -0.716 176.672 177.300 0.148 0.000 1.319 285 P CA -0.510 62.695 63.100 0.176 0.000 0.741 285 P CB 0.228 31.985 31.700 0.096 0.000 1.545 286 S N -1.768 113.989 115.700 0.094 0.000 2.537 286 S HA 0.525 5.194 4.470 0.332 0.000 0.275 286 S C 0.371 174.962 174.600 -0.015 0.000 1.272 286 S CA 0.032 58.270 58.200 0.063 0.000 1.050 286 S CB 0.015 63.247 63.200 0.054 0.000 0.961 286 S HN 0.766 nan 8.310 nan 0.000 0.496 287 A N 0.926 123.735 122.820 -0.018 0.000 2.930 287 A HA -0.156 4.363 4.320 0.332 0.000 0.273 287 A C 0.870 178.362 177.584 -0.153 0.000 1.435 287 A CA 0.453 52.443 52.037 -0.078 0.000 0.780 287 A CB -2.609 16.320 19.000 -0.119 0.000 1.034 287 A HN 1.188 nan 8.150 nan 0.000 0.562 288 C N -1.623 117.665 119.300 -0.020 0.000 3.580 288 C HA 0.585 5.244 4.460 0.332 0.000 0.337 288 C C 1.884 177.008 174.990 0.224 0.000 1.412 288 C CA 0.206 59.248 59.018 0.040 0.000 1.797 288 C CB -0.132 27.604 27.740 -0.007 0.000 2.470 288 C HN 2.538 nan 8.230 nan 0.000 0.691 289 G N 2.075 111.006 108.800 0.218 0.000 2.356 289 G HA2 -0.198 3.961 3.960 0.332 0.000 0.233 289 G HA3 -0.198 3.961 3.960 0.332 0.000 0.233 289 G C 0.548 175.639 174.900 0.319 0.000 1.105 289 G CA 0.308 45.556 45.100 0.248 0.000 0.861 289 G HN 0.528 nan 8.290 nan 0.000 0.493 290 K N -0.607 120.008 120.400 0.357 0.000 2.002 290 K HA -0.066 4.453 4.320 0.332 0.000 0.209 290 K C 2.660 179.371 176.600 0.184 0.000 1.048 290 K CA 1.937 58.439 56.287 0.358 0.000 0.930 290 K CB -0.292 32.328 32.500 0.199 0.000 0.714 290 K HN 0.345 nan 8.250 nan 0.000 0.438 291 T N 1.664 116.278 114.554 0.100 0.000 2.720 291 T HA -0.120 4.428 4.350 0.332 0.000 0.268 291 T C 1.563 176.265 174.700 0.004 0.000 1.037 291 T CA 1.537 63.641 62.100 0.006 0.000 1.144 291 T CB -0.380 68.485 68.868 -0.005 0.000 0.864 291 T HN 0.187 nan 8.240 nan 0.000 0.444 292 N N 1.205 119.941 118.700 0.061 0.000 2.094 292 N HA -0.071 4.867 4.740 0.332 0.000 0.191 292 N C 1.674 177.215 175.510 0.052 0.000 1.023 292 N CA 0.823 53.906 53.050 0.056 0.000 0.857 292 N CB -0.661 37.898 38.487 0.120 0.000 1.013 292 N HN 0.247 nan 8.380 nan 0.000 0.426 293 L N 0.525 121.822 121.223 0.122 0.000 2.072 293 L HA 0.118 4.657 4.340 0.332 0.000 0.205 293 L C 2.000 178.925 176.870 0.092 0.000 1.079 293 L CA 1.284 56.208 54.840 0.140 0.000 0.752 293 L CB -0.709 41.555 42.059 0.343 0.000 0.906 293 L HN 0.128 nan 8.230 nan 0.000 0.436 294 A N -0.941 121.923 122.820 0.073 0.000 2.019 294 A HA -0.136 4.383 4.320 0.332 0.000 0.219 294 A C 2.026 179.594 177.584 -0.027 0.000 1.164 294 A CA 1.902 53.956 52.037 0.028 0.000 0.644 294 A CB -0.454 18.546 19.000 0.001 0.000 0.805 294 A HN 0.517 nan 8.150 nan 0.000 0.449 295 M N -0.302 119.259 119.600 -0.065 0.000 2.496 295 M HA 0.240 4.919 4.480 0.332 0.000 0.330 295 M C 0.281 176.547 176.300 -0.058 0.000 1.133 295 M CA -0.329 54.913 55.300 -0.095 0.000 0.964 295 M CB 0.027 32.517 32.600 -0.183 0.000 1.401 295 M HN 0.613 nan 8.290 nan 0.000 0.520 296 M N -0.349 119.234 119.600 -0.027 0.000 2.252 296 M HA 0.060 4.739 4.480 0.332 0.000 0.329 296 M C -0.086 176.197 176.300 -0.030 0.000 1.101 296 M CA 1.124 56.406 55.300 -0.030 0.000 1.117 296 M CB 0.123 32.705 32.600 -0.030 0.000 1.563 296 M HN 0.129 nan 8.290 nan 0.000 0.445 297 N N 4.381 123.057 118.700 -0.039 0.000 2.527 297 N HA 0.394 5.333 4.740 0.332 0.000 0.236 297 N C -2.540 172.951 175.510 -0.032 0.000 0.999 297 N CA -1.748 51.282 53.050 -0.032 0.000 0.935 297 N CB 0.876 39.336 38.487 -0.044 0.000 1.132 297 N HN 0.538 nan 8.380 nan 0.000 0.511 298 P HA 0.056 nan 4.420 nan 0.000 0.271 298 P C 0.591 177.877 177.300 -0.023 0.000 1.218 298 P CA -0.101 62.983 63.100 -0.026 0.000 0.780 298 P CB 1.172 32.884 31.700 0.021 0.000 0.901 299 T N -0.791 113.730 114.554 -0.054 0.000 3.051 299 T HA 0.132 4.681 4.350 0.332 0.000 0.255 299 T C 0.967 175.657 174.700 -0.017 0.000 1.085 299 T CA 0.070 62.143 62.100 -0.045 0.000 1.109 299 T CB -0.270 68.552 68.868 -0.077 0.000 0.921 299 T HN 0.192 nan 8.240 nan 0.000 0.488 300 L N 2.985 124.196 121.223 -0.019 0.000 2.361 300 L HA 0.346 4.885 4.340 0.332 0.000 0.278 300 L C -2.328 174.654 176.870 0.188 0.000 1.113 300 L CA -2.252 52.617 54.840 0.047 0.000 0.849 300 L CB 0.328 42.333 42.059 -0.089 0.000 1.155 300 L HN -0.005 nan 8.230 nan 0.000 0.452 301 P HA 0.046 nan 4.420 nan 0.000 0.266 301 P C 0.841 178.226 177.300 0.143 0.000 1.195 301 P CA 0.554 63.724 63.100 0.117 0.000 0.768 301 P CB 0.832 32.573 31.700 0.069 0.000 0.838 302 G N 0.242 109.074 108.800 0.052 0.000 2.267 302 G HA2 -0.236 3.923 3.960 0.332 0.000 0.257 302 G HA3 -0.236 3.923 3.960 0.332 0.000 0.257 302 G C -0.338 174.477 174.900 -0.142 0.000 0.998 302 G CA -0.439 44.620 45.100 -0.067 0.000 0.620 302 G HN 0.400 nan 8.290 nan 0.000 0.529 303 W N 0.933 122.194 121.300 -0.065 0.000 2.313 303 W HA 0.720 5.578 4.660 0.331 0.000 0.328 303 W C 0.634 177.122 176.519 -0.051 0.000 1.197 303 W CA -0.349 56.950 57.345 -0.075 0.000 1.235 303 W CB 0.947 30.360 29.460 -0.079 0.000 1.158 303 W HN 0.124 nan 8.180 nan 0.000 0.578 304 K N 1.449 121.965 120.400 0.194 0.000 2.427 304 K HA 0.652 5.171 4.320 0.332 0.000 0.252 304 K C -1.814 174.862 176.600 0.126 0.000 0.931 304 K CA -0.683 55.671 56.287 0.111 0.000 0.793 304 K CB 1.825 34.351 32.500 0.042 0.000 1.211 304 K HN 0.302 nan 8.250 nan 0.000 0.426 305 V N 3.493 123.458 119.914 0.086 0.000 2.487 305 V HA 0.382 4.701 4.120 0.332 0.000 0.298 305 V C -0.892 175.229 176.094 0.046 0.000 1.028 305 V CA -0.677 61.664 62.300 0.069 0.000 0.860 305 V CB 1.685 33.542 31.823 0.057 0.000 0.991 305 V HN 0.823 nan 8.190 nan 0.000 0.427 306 E N 2.243 122.471 120.200 0.047 0.000 2.238 306 E HA 0.445 4.994 4.350 0.332 0.000 0.267 306 E C -1.289 175.366 176.600 0.091 0.000 0.887 306 E CA -0.547 55.889 56.400 0.060 0.000 0.769 306 E CB 2.373 32.117 29.700 0.074 0.000 1.187 306 E HN 0.694 nan 8.360 nan 0.000 0.416 307 C N 3.456 122.805 119.300 0.083 0.000 2.285 307 C HA 0.316 4.975 4.460 0.332 0.000 0.335 307 C C 1.347 176.438 174.990 0.169 0.000 1.267 307 C CA -0.311 58.767 59.018 0.099 0.000 1.762 307 C CB -0.495 27.260 27.740 0.024 0.000 2.365 307 C HN 0.702 nan 8.230 nan 0.000 0.527 308 V N 5.390 125.443 119.914 0.232 0.000 2.581 308 V HA 0.394 4.713 4.120 0.332 0.000 0.240 308 V C 1.388 177.644 176.094 0.270 0.000 1.054 308 V CA 1.332 63.806 62.300 0.290 0.000 1.076 308 V CB -0.498 31.493 31.823 0.281 0.000 0.748 308 V HN 1.052 nan 8.190 nan 0.000 0.474 309 G N -0.012 108.934 108.800 0.242 0.000 2.646 309 G HA2 0.467 4.626 3.960 0.332 0.000 0.291 309 G HA3 0.467 4.626 3.960 0.332 0.000 0.291 309 G C -0.971 174.068 174.900 0.232 0.000 1.445 309 G CA 0.426 45.692 45.100 0.276 0.000 0.814 309 G HN 0.134 nan 8.290 nan 0.000 0.495 310 D N -1.309 119.258 120.400 0.278 0.000 2.469 310 D HA 0.188 5.027 4.640 0.332 0.000 0.215 310 D C 0.366 176.737 176.300 0.120 0.000 1.154 310 D CA 0.221 54.307 54.000 0.143 0.000 0.832 310 D CB 1.299 42.127 40.800 0.047 0.000 1.008 310 D HN 0.335 nan 8.370 nan 0.000 0.506 311 D N -0.756 119.721 120.400 0.129 0.000 2.119 311 D HA 0.178 5.017 4.640 0.332 0.000 0.311 311 D C -0.243 176.144 176.300 0.145 0.000 1.155 311 D CA 0.190 54.266 54.000 0.127 0.000 1.036 311 D CB 0.999 41.890 40.800 0.151 0.000 1.855 311 D HN -0.008 nan 8.370 nan 0.000 0.523 312 I N 1.484 122.113 120.570 0.098 0.000 2.608 312 I HA 0.732 5.101 4.170 0.332 0.000 0.295 312 I C -0.766 175.399 176.117 0.079 0.000 1.049 312 I CA -1.169 60.191 61.300 0.100 0.000 1.063 312 I CB 1.441 39.447 38.000 0.010 0.000 1.248 312 I HN 0.069 nan 8.210 nan 0.000 0.424 313 A N 5.319 128.254 122.820 0.191 0.000 2.343 313 A HA 0.728 5.247 4.320 0.332 0.000 0.308 313 A C -1.872 175.993 177.584 0.468 0.000 1.092 313 A CA -0.432 51.736 52.037 0.219 0.000 0.751 313 A CB 1.023 20.151 19.000 0.214 0.000 1.203 313 A HN 0.590 nan 8.150 nan 0.000 0.452 314 W N 2.278 123.684 121.300 0.176 0.000 2.391 314 W HA 0.688 5.490 4.660 0.236 0.000 0.311 314 W C -0.260 176.345 176.519 0.144 0.000 1.087 314 W CA -1.110 56.393 57.345 0.263 0.000 1.209 314 W CB 0.976 30.561 29.460 0.208 0.000 1.273 314 W HN 0.511 nan 8.180 nan 0.000 0.482 315 M N 3.484 123.327 119.600 0.406 0.000 2.393 315 M HA 0.457 5.136 4.480 0.332 0.000 0.299 315 M C -0.501 175.863 176.300 0.108 0.000 1.103 315 M CA -0.829 54.560 55.300 0.149 0.000 0.910 315 M CB 3.127 35.764 32.600 0.061 0.000 1.659 315 M HN 0.286 nan 8.290 nan 0.000 0.445 316 K N 2.257 122.626 120.400 -0.051 0.000 2.525 316 K HA 0.558 5.077 4.320 0.332 0.000 0.254 316 K C -1.768 174.746 176.600 -0.144 0.000 0.934 316 K CA -0.546 55.722 56.287 -0.031 0.000 0.802 316 K CB 1.903 34.387 32.500 -0.026 0.000 1.295 316 K HN 0.488 nan 8.250 nan 0.000 0.433 317 F N 3.260 123.207 119.950 -0.004 0.000 2.529 317 F HA 0.051 4.778 4.527 0.334 0.000 0.365 317 F C 1.107 176.889 175.800 -0.031 0.000 1.102 317 F CA 0.351 58.331 58.000 -0.033 0.000 1.271 317 F CB 0.475 39.439 39.000 -0.060 0.000 1.120 317 F HN 0.631 nan 8.300 nan 0.000 0.579 318 D N 1.785 122.265 120.400 0.133 0.000 2.478 318 D HA 0.373 5.212 4.640 0.332 0.000 0.274 318 D C 1.032 177.371 176.300 0.065 0.000 1.234 318 D CA -0.270 53.768 54.000 0.064 0.000 1.069 318 D CB 0.089 40.901 40.800 0.020 0.000 1.113 318 D HN 0.438 nan 8.370 nan 0.000 0.571 319 A N -1.042 121.796 122.820 0.029 0.000 2.019 319 A HA -0.178 4.341 4.320 0.332 0.000 0.219 319 A C 1.803 179.394 177.584 0.012 0.000 1.164 319 A CA 1.192 53.237 52.037 0.015 0.000 0.644 319 A CB -0.610 18.392 19.000 0.003 0.000 0.805 319 A HN 0.467 nan 8.150 nan 0.000 0.449 320 Q N -1.578 118.235 119.800 0.022 0.000 2.403 320 Q HA 0.195 4.734 4.340 0.332 0.000 0.203 320 Q C 1.212 177.229 176.000 0.028 0.000 0.932 320 Q CA 0.784 56.597 55.803 0.017 0.000 0.945 320 Q CB 0.121 28.869 28.738 0.016 0.000 1.045 320 Q HN 1.007 nan 8.270 nan 0.000 0.511 321 G N 1.519 110.356 108.800 0.062 0.000 2.157 321 G HA2 -0.257 3.902 3.960 0.332 0.000 0.248 321 G HA3 -0.257 3.902 3.960 0.332 0.000 0.248 321 G C -0.194 174.862 174.900 0.260 0.000 0.979 321 G CA 0.035 45.193 45.100 0.098 0.000 0.650 321 G HN 0.439 nan 8.290 nan 0.000 0.529 322 N N -0.006 118.800 118.700 0.177 0.000 2.497 322 N HA 0.475 5.413 4.740 0.332 0.000 0.271 322 N C -0.041 175.489 175.510 0.034 0.000 1.142 322 N CA -0.527 52.593 53.050 0.117 0.000 0.965 322 N CB 1.364 39.875 38.487 0.040 0.000 1.077 322 N HN 0.204 nan 8.380 nan 0.000 0.462 323 L N 3.227 124.354 121.223 -0.159 0.000 2.363 323 L HA 0.183 4.722 4.340 0.332 0.000 0.286 323 L C -0.280 176.432 176.870 -0.264 0.000 1.106 323 L CA -0.003 54.503 54.840 -0.556 0.000 0.859 323 L CB -0.363 41.259 42.059 -0.728 0.000 1.223 323 L HN 0.403 nan 8.230 nan 0.000 0.446 324 R N 4.523 124.895 120.500 -0.212 0.000 2.265 324 R HA 0.713 5.252 4.340 0.332 0.000 0.319 324 R C -0.620 175.618 176.300 -0.103 0.000 1.006 324 R CA -0.376 55.645 56.100 -0.131 0.000 0.880 324 R CB 1.448 31.687 30.300 -0.102 0.000 1.077 324 R HN 0.695 nan 8.270 nan 0.000 0.454 325 A N 4.315 127.083 122.820 -0.086 0.000 2.355 325 A HA 0.680 5.199 4.320 0.332 0.000 0.317 325 A C -0.154 177.408 177.584 -0.037 0.000 1.094 325 A CA -0.876 51.148 52.037 -0.022 0.000 0.764 325 A CB 0.958 19.965 19.000 0.013 0.000 1.230 325 A HN 0.785 nan 8.150 nan 0.000 0.448 326 I N -0.504 120.071 120.570 0.009 0.000 2.693 326 I HA 0.597 4.966 4.170 0.332 0.000 0.303 326 I C -0.313 175.785 176.117 -0.031 0.000 1.025 326 I CA -0.982 60.301 61.300 -0.028 0.000 1.086 326 I CB 2.011 39.974 38.000 -0.062 0.000 1.268 326 I HN 0.496 nan 8.210 nan 0.000 0.440 327 N N 6.026 124.711 118.700 -0.025 0.000 2.411 327 N HA 0.344 5.283 4.740 0.332 0.000 0.259 327 N C -1.751 173.638 175.510 -0.202 0.000 1.103 327 N CA -2.412 50.609 53.050 -0.048 0.000 0.954 327 N CB 0.964 39.516 38.487 0.109 0.000 1.085 327 N HN 0.469 nan 8.380 nan 0.000 0.485 328 P HA -0.000 nan 4.420 nan 0.000 0.231 328 P C -0.414 176.641 177.300 -0.409 0.000 1.168 328 P CA 0.723 63.411 63.100 -0.686 0.000 0.779 328 P CB 0.488 31.239 31.700 -1.582 0.000 0.844 329 E N 0.036 120.078 120.200 -0.263 0.000 2.342 329 E HA 0.114 4.663 4.350 0.332 0.000 0.257 329 E C 0.319 176.885 176.600 -0.056 0.000 1.150 329 E CA -0.254 56.045 56.400 -0.168 0.000 0.926 329 E CB 0.316 29.932 29.700 -0.140 0.000 1.074 329 E HN -0.097 nan 8.360 nan 0.000 0.449 330 N N -0.868 117.786 118.700 -0.077 0.000 2.171 330 N HA 0.164 5.103 4.740 0.332 0.000 0.212 330 N C -0.619 174.784 175.510 -0.178 0.000 1.184 330 N CA 0.075 53.131 53.050 0.010 0.000 0.888 330 N CB 1.201 39.680 38.487 -0.013 0.000 1.038 330 N HN 0.484 nan 8.380 nan 0.000 0.517 331 G N -1.128 107.477 108.800 -0.325 0.000 2.663 331 G HA2 0.491 4.650 3.960 0.332 0.000 0.299 331 G HA3 0.491 4.650 3.960 0.332 0.000 0.299 331 G C -1.796 172.787 174.900 -0.528 0.000 1.372 331 G CA -0.619 44.179 45.100 -0.502 0.000 0.781 331 G HN -0.013 nan 8.290 nan 0.000 0.491 332 F N -0.092 119.874 119.950 0.026 0.000 2.444 332 F HA 0.563 5.287 4.527 0.328 0.000 0.342 332 F C -0.550 175.314 175.800 0.107 0.000 1.121 332 F CA -1.208 56.837 58.000 0.075 0.000 0.997 332 F CB 2.103 41.181 39.000 0.130 0.000 1.130 332 F HN 0.266 nan 8.300 nan 0.000 0.454 333 F N 3.007 122.973 119.950 0.027 0.000 2.434 333 F HA 0.627 5.363 4.527 0.349 0.000 0.316 333 F C 0.504 176.108 175.800 -0.327 0.000 1.222 333 F CA -0.975 56.934 58.000 -0.152 0.000 1.207 333 F CB -0.091 38.842 39.000 -0.112 0.000 1.466 333 F HN 0.491 nan 8.300 nan 0.000 0.545 334 G N 1.707 109.957 108.800 -0.916 0.000 2.448 334 G HA2 0.431 4.590 3.960 0.332 0.000 0.285 334 G HA3 0.431 4.590 3.960 0.332 0.000 0.285 334 G C -0.783 173.352 174.900 -1.275 0.000 1.176 334 G CA -0.603 43.816 45.100 -1.134 0.000 0.852 334 G HN 0.187 nan 8.290 nan 0.000 0.530 335 V N 1.770 121.284 119.914 -0.666 0.000 2.529 335 V HA 0.221 4.540 4.120 0.332 0.000 0.292 335 V C 1.484 177.270 176.094 -0.513 0.000 1.028 335 V CA 0.634 62.641 62.300 -0.489 0.000 1.074 335 V CB 0.614 32.285 31.823 -0.253 0.000 0.958 335 V HN 0.985 nan 8.190 nan 0.000 0.481 336 A N 7.914 130.398 122.820 -0.560 0.000 1.843 336 A HA 0.157 4.676 4.320 0.332 0.000 0.213 336 A C -1.319 175.599 177.584 -1.111 0.000 1.202 336 A CA 0.641 52.184 52.037 -0.823 0.000 0.607 336 A CB -1.134 17.357 19.000 -0.849 0.000 0.847 336 A HN 0.722 nan 8.150 nan 0.000 0.445 337 P HA 0.281 nan 4.420 nan 0.000 0.265 337 P C 0.730 177.914 177.300 -0.192 0.000 1.193 337 P CA 1.808 64.691 63.100 -0.362 0.000 0.765 337 P CB 0.533 32.142 31.700 -0.151 0.000 0.823 338 G N 1.603 110.407 108.800 0.007 0.000 2.175 338 G HA2 -0.208 3.951 3.960 0.332 0.000 0.244 338 G HA3 -0.208 3.951 3.960 0.332 0.000 0.244 338 G C 0.188 175.113 174.900 0.042 0.000 0.982 338 G CA -0.054 45.072 45.100 0.043 0.000 0.641 338 G HN 0.574 nan 8.290 nan 0.000 0.527 339 T N 1.937 116.525 114.554 0.057 0.000 2.737 339 T HA 0.592 5.141 4.350 0.332 0.000 0.296 339 T C 0.440 175.302 174.700 0.270 0.000 0.922 339 T CA 0.691 62.862 62.100 0.119 0.000 1.079 339 T CB 1.307 70.215 68.868 0.066 0.000 0.892 339 T HN 1.313 nan 8.240 nan 0.000 0.514 340 S N 1.781 117.513 115.700 0.053 0.000 2.685 340 S HA 0.480 5.149 4.470 0.332 0.000 0.282 340 S C 1.050 175.600 174.600 -0.083 0.000 1.159 340 S CA -0.874 57.321 58.200 -0.009 0.000 0.833 340 S CB 0.924 64.086 63.200 -0.064 0.000 1.151 340 S HN 0.176 nan 8.310 nan 0.000 0.485 341 V N 1.716 121.576 119.914 -0.090 0.000 2.407 341 V HA -0.143 4.176 4.120 0.332 0.000 0.248 341 V C 2.545 178.553 176.094 -0.144 0.000 1.055 341 V CA 2.138 64.378 62.300 -0.100 0.000 1.049 341 V CB -1.022 30.754 31.823 -0.080 0.000 0.662 341 V HN 0.856 nan 8.190 nan 0.000 0.455 342 K N 0.267 120.556 120.400 -0.186 0.000 2.025 342 K HA -0.147 4.372 4.320 0.332 0.000 0.207 342 K C 2.315 178.630 176.600 -0.476 0.000 1.049 342 K CA 1.979 58.102 56.287 -0.274 0.000 0.933 342 K CB -0.464 31.875 32.500 -0.268 0.000 0.714 342 K HN 0.697 nan 8.250 nan 0.000 0.438 343 T N -1.605 112.606 114.554 -0.571 0.000 2.896 343 T HA -0.038 4.511 4.350 0.332 0.000 0.263 343 T C 0.928 175.419 174.700 -0.348 0.000 1.050 343 T CA 0.734 62.356 62.100 -0.797 0.000 1.140 343 T CB 0.101 68.597 68.868 -0.620 0.000 0.877 343 T HN -0.045 nan 8.240 nan 0.000 0.457 344 N N 1.226 119.798 118.700 -0.213 0.000 2.785 344 N HA 0.257 5.196 4.740 0.332 0.000 0.224 344 N C -2.569 172.872 175.510 -0.116 0.000 1.448 344 N CA -1.562 51.411 53.050 -0.129 0.000 0.748 344 N CB 1.574 40.010 38.487 -0.085 0.000 1.385 344 N HN 0.043 nan 8.380 nan 0.000 0.538 345 P HA -0.062 nan 4.420 nan 0.000 0.218 345 P C 0.789 178.034 177.300 -0.092 0.000 1.149 345 P CA 0.991 64.034 63.100 -0.094 0.000 0.817 345 P CB 0.574 32.224 31.700 -0.084 0.000 0.785 346 N N 0.226 118.868 118.700 -0.096 0.000 2.244 346 N HA -0.070 4.869 4.740 0.332 0.000 0.183 346 N C 1.872 177.302 175.510 -0.133 0.000 1.016 346 N CA 1.345 54.336 53.050 -0.099 0.000 0.866 346 N CB -0.722 37.710 38.487 -0.092 0.000 0.980 346 N HN 0.127 nan 8.380 nan 0.000 0.430 347 A N 1.576 124.295 122.820 -0.168 0.000 1.898 347 A HA -0.046 4.473 4.320 0.332 0.000 0.216 347 A C 2.114 179.542 177.584 -0.259 0.000 1.181 347 A CA 0.677 52.562 52.037 -0.253 0.000 0.620 347 A CB -0.339 18.502 19.000 -0.265 0.000 0.819 347 A HN 0.072 nan 8.150 nan 0.000 0.442 348 I N -0.121 120.351 120.570 -0.163 0.000 2.151 348 I HA -0.241 4.127 4.170 0.332 0.000 0.243 348 I C 2.246 178.293 176.117 -0.116 0.000 1.080 348 I CA 1.843 63.074 61.300 -0.115 0.000 1.339 348 I CB -1.197 36.759 38.000 -0.073 0.000 1.039 348 I HN 0.212 nan 8.210 nan 0.000 0.409 349 K N 0.539 120.879 120.400 -0.100 0.000 2.147 349 K HA -0.109 4.410 4.320 0.332 0.000 0.205 349 K C 2.055 178.609 176.600 -0.077 0.000 1.049 349 K CA 1.500 57.742 56.287 -0.075 0.000 0.936 349 K CB -0.515 31.951 32.500 -0.058 0.000 0.722 349 K HN 0.340 nan 8.250 nan 0.000 0.446 350 T N 0.845 115.337 114.554 -0.104 0.000 2.851 350 T HA -0.026 4.523 4.350 0.332 0.000 0.262 350 T C 1.639 176.277 174.700 -0.104 0.000 1.043 350 T CA 1.292 63.343 62.100 -0.082 0.000 1.140 350 T CB -0.198 68.633 68.868 -0.062 0.000 0.872 350 T HN 0.385 nan 8.240 nan 0.000 0.446 351 I N -0.665 119.798 120.570 -0.177 0.000 3.684 351 I HA 0.244 4.613 4.170 0.332 0.000 0.304 351 I C 1.518 177.593 176.117 -0.070 0.000 1.278 351 I CA 0.328 61.522 61.300 -0.178 0.000 1.272 351 I CB -0.408 37.403 38.000 -0.315 0.000 1.029 351 I HN 0.067 nan 8.210 nan 0.000 0.458 352 Q N 1.809 121.537 119.800 -0.120 0.000 2.320 352 Q HA 0.228 4.767 4.340 0.332 0.000 0.201 352 Q C 0.066 176.056 176.000 -0.016 0.000 0.910 352 Q CA 0.199 55.883 55.803 -0.198 0.000 0.946 352 Q CB 0.416 29.054 28.738 -0.167 0.000 1.062 352 Q HN 0.470 nan 8.270 nan 0.000 0.503 353 K N 0.439 120.853 120.400 0.024 0.000 2.525 353 K HA 0.156 4.675 4.320 0.332 0.000 0.254 353 K C -0.962 175.693 176.600 0.092 0.000 0.934 353 K CA -0.563 55.769 56.287 0.074 0.000 0.802 353 K CB 0.999 33.532 32.500 0.055 0.000 1.295 353 K HN -0.091 nan 8.250 nan 0.000 0.433 354 N N 1.244 120.034 118.700 0.150 0.000 2.721 354 N HA -0.146 4.793 4.740 0.332 0.000 0.249 354 N C -1.357 174.267 175.510 0.190 0.000 1.072 354 N CA 1.459 54.635 53.050 0.210 0.000 0.710 354 N CB -1.165 37.426 38.487 0.174 0.000 0.993 354 N HN 0.614 nan 8.380 nan 0.000 0.547 355 T N 0.803 115.457 114.554 0.167 0.000 2.824 355 T HA 0.607 5.156 4.350 0.332 0.000 0.282 355 T C 0.765 175.512 174.700 0.079 0.000 0.993 355 T CA -0.496 61.611 62.100 0.012 0.000 0.967 355 T CB 1.759 70.491 68.868 -0.227 0.000 0.960 355 T HN 0.055 nan 8.240 nan 0.000 0.441 356 I N 3.648 124.241 120.570 0.038 0.000 2.315 356 I HA 0.401 4.770 4.170 0.332 0.000 0.291 356 I C -0.681 175.435 176.117 -0.002 0.000 1.006 356 I CA -0.568 60.829 61.300 0.162 0.000 1.265 356 I CB 0.681 38.771 38.000 0.151 0.000 1.387 356 I HN 0.488 nan 8.210 nan 0.000 0.475 357 F N 3.465 123.588 119.950 0.288 0.000 2.425 357 F HA 0.493 5.221 4.527 0.335 0.000 0.331 357 F C 0.471 176.414 175.800 0.238 0.000 1.085 357 F CA -0.397 57.752 58.000 0.247 0.000 1.028 357 F CB 1.966 41.134 39.000 0.280 0.000 1.177 357 F HN 0.256 nan 8.300 nan 0.000 0.487 358 T N 2.656 117.406 114.554 0.327 0.000 2.879 358 T HA 0.252 4.801 4.350 0.332 0.000 0.290 358 T C -0.511 174.280 174.700 0.153 0.000 0.993 358 T CA -0.903 61.330 62.100 0.223 0.000 0.975 358 T CB 0.978 69.935 68.868 0.148 0.000 0.981 358 T HN 0.601 nan 8.240 nan 0.000 0.439 359 N N 0.336 119.133 118.700 0.161 0.000 2.747 359 N HA -0.135 4.804 4.740 0.332 0.000 0.249 359 N C 0.038 175.634 175.510 0.144 0.000 1.107 359 N CA 1.081 54.219 53.050 0.147 0.000 0.707 359 N CB -1.709 36.704 38.487 -0.122 0.000 1.054 359 N HN 0.704 nan 8.380 nan 0.000 0.555 360 V N -3.500 116.558 119.914 0.239 0.000 3.096 360 V HA 0.949 5.268 4.120 0.332 0.000 0.319 360 V C 0.874 177.118 176.094 0.249 0.000 1.082 360 V CA -0.612 61.849 62.300 0.268 0.000 1.022 360 V CB 1.823 33.895 31.823 0.415 0.000 1.103 360 V HN 0.268 nan 8.190 nan 0.000 0.455 361 A N 0.954 123.892 122.820 0.197 0.000 2.304 361 A HA 0.595 5.114 4.320 0.332 0.000 0.271 361 A C 0.045 177.684 177.584 0.091 0.000 1.091 361 A CA -0.354 51.752 52.037 0.115 0.000 0.812 361 A CB 0.418 19.435 19.000 0.029 0.000 1.056 361 A HN 1.041 nan 8.150 nan 0.000 0.489 362 E N 0.338 120.571 120.200 0.055 0.000 2.210 362 E HA 0.458 5.007 4.350 0.332 0.000 0.266 362 E C -0.304 176.286 176.600 -0.017 0.000 0.883 362 E CA -0.542 55.869 56.400 0.019 0.000 0.761 362 E CB 1.284 31.001 29.700 0.028 0.000 1.156 362 E HN 0.789 nan 8.360 nan 0.000 0.412 363 T N 0.531 115.054 114.554 -0.052 0.000 2.899 363 T HA 0.110 4.659 4.350 0.332 0.000 0.284 363 T C 1.325 175.977 174.700 -0.081 0.000 1.004 363 T CA -0.096 61.951 62.100 -0.088 0.000 1.043 363 T CB 1.452 70.251 68.868 -0.115 0.000 1.013 363 T HN 0.437 nan 8.240 nan 0.000 0.518 364 S N 0.201 115.855 115.700 -0.078 0.000 2.469 364 S HA -0.130 4.538 4.470 0.332 0.000 0.238 364 S C 1.171 175.724 174.600 -0.079 0.000 0.998 364 S CA 0.841 59.002 58.200 -0.066 0.000 0.957 364 S CB -0.649 62.517 63.200 -0.057 0.000 0.764 364 S HN 0.909 nan 8.310 nan 0.000 0.514 365 D N 0.395 120.734 120.400 -0.102 0.000 2.328 365 D HA 0.265 5.104 4.640 0.332 0.000 0.221 365 D C 1.246 177.443 176.300 -0.173 0.000 1.072 365 D CA 0.411 54.337 54.000 -0.123 0.000 0.850 365 D CB -0.645 40.082 40.800 -0.122 0.000 0.922 365 D HN 0.556 nan 8.370 nan 0.000 0.516 366 G N -0.726 107.976 108.800 -0.163 0.000 2.132 366 G HA2 -0.110 4.049 3.960 0.332 0.000 0.228 366 G HA3 -0.110 4.049 3.960 0.332 0.000 0.228 366 G C 0.542 175.256 174.900 -0.309 0.000 1.000 366 G CA -0.097 44.885 45.100 -0.197 0.000 0.693 366 G HN 0.777 nan 8.290 nan 0.000 0.515 367 G N -1.393 107.240 108.800 -0.278 0.000 2.537 367 G HA2 0.851 5.010 3.960 0.332 0.000 0.297 367 G HA3 0.851 5.010 3.960 0.332 0.000 0.297 367 G C 0.275 175.146 174.900 -0.049 0.000 1.310 367 G CA 0.123 45.072 45.100 -0.251 0.000 1.027 367 G HN 1.504 nan 8.290 nan 0.000 0.505 368 V N -2.695 117.223 119.914 0.006 0.000 2.732 368 V HA 0.796 5.115 4.120 0.332 0.000 0.310 368 V C -1.088 174.851 176.094 -0.259 0.000 1.053 368 V CA -1.191 61.001 62.300 -0.180 0.000 0.957 368 V CB 1.456 32.996 31.823 -0.472 0.000 1.018 368 V HN 0.650 nan 8.190 nan 0.000 0.452 369 Y N 3.082 123.164 120.300 -0.364 0.000 2.534 369 Y HA 0.802 5.551 4.550 0.332 0.000 0.345 369 Y C -1.296 174.484 175.900 -0.199 0.000 1.031 369 Y CA -0.904 56.931 58.100 -0.441 0.000 1.022 369 Y CB 2.271 40.592 38.460 -0.233 0.000 1.292 369 Y HN 1.063 nan 8.280 nan 0.000 0.459 370 W N 1.658 122.753 121.300 -0.343 0.000 3.146 370 W HA 0.628 5.491 4.660 0.338 0.000 0.319 370 W C -1.477 174.883 176.519 -0.265 0.000 1.258 370 W CA -1.171 56.040 57.345 -0.224 0.000 1.189 370 W CB 0.291 29.670 29.460 -0.135 0.000 1.412 370 W HN 0.341 nan 8.180 nan 0.000 0.567 371 E N 1.074 121.360 120.200 0.143 0.000 2.465 371 E HA 0.381 4.930 4.350 0.332 0.000 0.260 371 E C 1.204 177.899 176.600 0.158 0.000 0.980 371 E CA 2.368 58.835 56.400 0.112 0.000 0.927 371 E CB 0.303 30.056 29.700 0.089 0.000 0.934 371 E HN 1.121 nan 8.360 nan 0.000 0.459 372 G N 2.982 111.841 108.800 0.099 0.000 2.179 372 G HA2 -0.331 3.828 3.960 0.332 0.000 0.260 372 G HA3 -0.331 3.828 3.960 0.332 0.000 0.260 372 G C 0.399 175.353 174.900 0.089 0.000 0.977 372 G CA 0.050 45.208 45.100 0.096 0.000 0.641 372 G HN 0.557 nan 8.290 nan 0.000 0.533 373 I N 1.086 121.651 120.570 -0.008 0.000 2.588 373 I HA 0.223 4.592 4.170 0.332 0.000 0.283 373 I C 0.056 176.054 176.117 -0.198 0.000 1.119 373 I CA -0.029 61.128 61.300 -0.238 0.000 1.419 373 I CB 0.593 38.034 38.000 -0.931 0.000 1.394 373 I HN 0.038 nan 8.210 nan 0.000 0.562 374 D N 8.186 128.506 120.400 -0.133 0.000 3.163 374 D HA 0.196 5.035 4.640 0.332 0.000 0.284 374 D C -0.875 175.384 176.300 -0.069 0.000 1.368 374 D CA 0.098 54.053 54.000 -0.076 0.000 0.895 374 D CB 0.218 40.982 40.800 -0.061 0.000 1.061 374 D HN 0.525 nan 8.370 nan 0.000 0.496 375 E N 1.373 121.528 120.200 -0.075 0.000 2.316 375 E HA 0.288 4.837 4.350 0.332 0.000 0.254 375 E C -2.457 174.199 176.600 0.094 0.000 0.902 375 E CA -1.709 54.681 56.400 -0.016 0.000 0.801 375 E CB 2.166 31.832 29.700 -0.057 0.000 1.270 375 E HN 0.100 nan 8.360 nan 0.000 0.414 376 P HA 0.074 nan 4.420 nan 0.000 0.268 376 P C -0.542 176.793 177.300 0.058 0.000 1.205 376 P CA 0.068 63.212 63.100 0.073 0.000 0.771 376 P CB 0.626 32.345 31.700 0.032 0.000 0.858 377 L N 1.641 122.881 121.223 0.029 0.000 2.343 377 L HA 0.559 5.098 4.340 0.332 0.000 0.275 377 L C 0.802 177.653 176.870 -0.032 0.000 1.056 377 L CA -1.205 53.620 54.840 -0.024 0.000 0.804 377 L CB 1.127 43.120 42.059 -0.110 0.000 1.203 377 L HN 0.398 nan 8.230 nan 0.000 0.440 378 A N 3.910 126.709 122.820 -0.036 0.000 2.520 378 A HA 0.307 4.826 4.320 0.332 0.000 0.235 378 A C -2.144 175.415 177.584 -0.041 0.000 1.065 378 A CA -0.851 51.165 52.037 -0.035 0.000 0.764 378 A CB -0.732 18.246 19.000 -0.036 0.000 1.002 378 A HN 0.469 nan 8.150 nan 0.000 0.502 379 P HA 0.208 nan 4.420 nan 0.000 0.264 379 P C 0.984 178.260 177.300 -0.040 0.000 1.193 379 P CA 1.432 64.510 63.100 -0.037 0.000 0.763 379 P CB 0.733 32.415 31.700 -0.030 0.000 0.810 380 G N 1.789 110.562 108.800 -0.044 0.000 2.345 380 G HA2 -0.230 3.929 3.960 0.332 0.000 0.218 380 G HA3 -0.230 3.929 3.960 0.332 0.000 0.218 380 G C -0.040 174.828 174.900 -0.053 0.000 1.058 380 G CA -0.093 44.980 45.100 -0.044 0.000 0.632 380 G HN 0.552 nan 8.290 nan 0.000 0.508 381 V N 3.630 123.506 119.914 -0.062 0.000 2.485 381 V HA 0.476 4.795 4.120 0.332 0.000 0.287 381 V C 1.115 177.155 176.094 -0.090 0.000 1.022 381 V CA 0.958 63.211 62.300 -0.078 0.000 1.067 381 V CB 0.567 32.336 31.823 -0.089 0.000 0.967 381 V HN 0.929 nan 8.190 nan 0.000 0.479 382 T N 3.572 118.079 114.554 -0.079 0.000 2.950 382 T HA 0.819 5.367 4.350 0.332 0.000 0.288 382 T C -0.607 174.054 174.700 -0.066 0.000 1.035 382 T CA -0.816 61.244 62.100 -0.066 0.000 1.028 382 T CB 1.873 70.718 68.868 -0.038 0.000 1.109 382 T HN 0.291 nan 8.240 nan 0.000 0.514 383 I N 1.155 121.715 120.570 -0.016 0.000 2.474 383 I HA 0.400 4.769 4.170 0.332 0.000 0.294 383 I C -0.115 176.060 176.117 0.097 0.000 1.005 383 I CA -0.824 60.489 61.300 0.021 0.000 1.113 383 I CB 2.318 40.366 38.000 0.081 0.000 1.289 383 I HN 0.658 nan 8.210 nan 0.000 0.436 384 T N 3.915 118.504 114.554 0.059 0.000 2.771 384 T HA 0.310 4.859 4.350 0.332 0.000 0.281 384 T C 0.239 174.969 174.700 0.050 0.000 0.982 384 T CA -0.669 61.471 62.100 0.067 0.000 0.978 384 T CB 1.237 70.127 68.868 0.037 0.000 0.930 384 T HN 0.759 nan 8.240 nan 0.000 0.447 385 S N 3.574 119.297 115.700 0.039 0.000 2.617 385 S HA 0.132 4.801 4.470 0.332 0.000 0.259 385 S C 1.503 176.115 174.600 0.021 0.000 1.301 385 S CA -0.916 57.255 58.200 -0.047 0.000 0.984 385 S CB 0.331 63.452 63.200 -0.132 0.000 0.954 385 S HN 0.926 nan 8.310 nan 0.000 0.572 386 W N 0.451 121.717 121.300 -0.057 0.000 2.632 386 W HA 0.098 4.959 4.660 0.335 0.000 0.248 386 W C 0.324 176.839 176.519 -0.007 0.000 1.259 386 W CA 0.417 57.756 57.345 -0.010 0.000 1.288 386 W CB -0.779 28.685 29.460 0.007 0.000 1.136 386 W HN 0.634 nan 8.180 nan 0.000 0.640 387 K N 1.187 121.179 120.400 -0.680 0.000 2.410 387 K HA -0.008 4.511 4.320 0.332 0.000 0.200 387 K C 0.482 176.911 176.600 -0.285 0.000 1.023 387 K CA 0.005 55.882 56.287 -0.683 0.000 1.149 387 K CB -0.492 31.550 32.500 -0.764 0.000 0.859 387 K HN 0.094 nan 8.250 nan 0.000 0.514 388 N N 1.561 120.171 118.700 -0.150 0.000 2.758 388 N HA -0.173 4.766 4.740 0.332 0.000 0.248 388 N C -1.149 174.335 175.510 -0.043 0.000 1.076 388 N CA 0.572 53.587 53.050 -0.060 0.000 0.696 388 N CB -0.283 38.178 38.487 -0.043 0.000 0.979 388 N HN 0.108 nan 8.380 nan 0.000 0.550 389 K N 0.726 121.109 120.400 -0.029 0.000 2.435 389 K HA 0.343 4.862 4.320 0.332 0.000 0.251 389 K C -0.662 175.981 176.600 0.073 0.000 0.954 389 K CA -0.628 55.666 56.287 0.011 0.000 0.820 389 K CB 1.525 34.027 32.500 0.005 0.000 1.292 389 K HN 0.210 nan 8.250 nan 0.000 0.436 390 E N 1.254 121.496 120.200 0.070 0.000 2.414 390 E HA 0.129 4.678 4.350 0.332 0.000 0.263 390 E C -1.500 175.208 176.600 0.180 0.000 1.000 390 E CA 0.438 56.894 56.400 0.093 0.000 0.914 390 E CB 0.411 30.134 29.700 0.038 0.000 0.948 390 E HN 0.430 nan 8.360 nan 0.000 0.444 391 W N 4.001 125.286 121.300 -0.025 0.000 3.138 391 W HA 0.499 5.359 4.660 0.334 0.000 0.331 391 W C -1.115 175.389 176.519 -0.025 0.000 1.166 391 W CA -0.725 56.614 57.345 -0.011 0.000 1.212 391 W CB 1.334 30.805 29.460 0.017 0.000 1.399 391 W HN 0.491 nan 8.180 nan 0.000 0.514 392 R N 4.862 124.881 120.500 -0.801 0.000 2.750 392 R HA 0.369 4.908 4.340 0.332 0.000 0.281 392 R C -1.782 173.593 176.300 -1.543 0.000 0.972 392 R CA -1.762 53.847 56.100 -0.818 0.000 0.912 392 R CB 2.474 32.512 30.300 -0.437 0.000 1.187 392 R HN 0.199 nan 8.270 nan 0.000 0.464 393 P HA -0.118 nan 4.420 nan 0.000 0.242 393 P C -0.072 177.011 177.300 -0.362 0.000 1.198 393 P CA 1.010 63.746 63.100 -0.606 0.000 0.756 393 P CB 0.369 32.020 31.700 -0.081 0.000 0.911 394 Q N -0.662 118.884 119.800 -0.424 0.000 2.319 394 Q HA 0.071 4.610 4.340 0.332 0.000 0.202 394 Q C 0.051 175.918 176.000 -0.223 0.000 0.896 394 Q CA 0.011 55.669 55.803 -0.241 0.000 0.942 394 Q CB 0.078 28.699 28.738 -0.195 0.000 1.083 394 Q HN 0.294 nan 8.270 nan 0.000 0.510 395 D N 0.720 120.910 120.400 -0.350 0.000 2.329 395 D HA -0.028 4.811 4.640 0.332 0.000 0.246 395 D C 0.800 177.105 176.300 0.009 0.000 1.111 395 D CA -0.026 53.865 54.000 -0.182 0.000 0.941 395 D CB 0.911 41.556 40.800 -0.259 0.000 1.169 395 D HN 0.194 nan 8.370 nan 0.000 0.441 396 E N -0.078 120.163 120.200 0.067 0.000 2.385 396 E HA -0.001 4.548 4.350 0.332 0.000 0.194 396 E C -0.322 176.384 176.600 0.176 0.000 1.013 396 E CA 0.280 56.743 56.400 0.105 0.000 0.866 396 E CB 0.195 29.935 29.700 0.066 0.000 0.832 396 E HN 0.421 nan 8.360 nan 0.000 0.500 397 E N 2.984 123.334 120.200 0.251 0.000 2.301 397 E HA 0.200 4.749 4.350 0.332 0.000 0.275 397 E C -2.261 174.609 176.600 0.451 0.000 1.030 397 E CA -2.657 53.926 56.400 0.305 0.000 0.852 397 E CB 0.889 30.760 29.700 0.285 0.000 1.060 397 E HN 0.132 nan 8.360 nan 0.000 0.401 398 P HA -0.068 nan 4.420 nan 0.000 0.271 398 P C 0.737 178.017 177.300 -0.033 0.000 1.218 398 P CA -0.130 63.076 63.100 0.176 0.000 0.780 398 P CB 0.660 32.409 31.700 0.081 0.000 0.901 399 C N 0.895 119.852 119.300 -0.572 0.000 2.468 399 C HA 0.469 5.128 4.460 0.332 0.000 0.277 399 C C 1.067 175.994 174.990 -0.104 0.000 1.400 399 C CA 0.257 58.715 59.018 -0.933 0.000 1.770 399 C CB -1.312 25.406 27.740 -1.705 0.000 1.905 399 C HN 0.616 nan 8.230 nan 0.000 0.519 400 A N 0.034 122.839 122.820 -0.025 0.000 2.374 400 A HA 0.571 5.090 4.320 0.332 0.000 0.317 400 A C -0.465 176.921 177.584 -0.331 0.000 1.094 400 A CA -0.357 51.665 52.037 -0.025 0.000 0.765 400 A CB 0.164 19.194 19.000 0.051 0.000 1.268 400 A HN 0.584 nan 8.150 nan 0.000 0.438 401 H N 2.213 120.659 119.070 -1.040 0.000 2.815 401 H HA 0.100 4.854 4.556 0.331 0.000 0.350 401 H C -1.754 173.276 175.328 -0.496 0.000 1.080 401 H CA -0.821 54.590 56.048 -1.061 0.000 1.433 401 H CB 1.283 30.066 29.762 -1.633 0.000 1.432 401 H HN 0.280 nan 8.280 nan 0.000 0.592 402 P HA -0.120 nan 4.420 nan 0.000 0.219 402 P C 0.730 177.886 177.300 -0.241 0.000 1.146 402 P CA 1.331 64.191 63.100 -0.400 0.000 0.808 402 P CB 0.268 31.727 31.700 -0.401 0.000 0.779 403 N N -1.008 117.641 118.700 -0.085 0.000 2.235 403 N HA 0.007 4.946 4.740 0.332 0.000 0.209 403 N C -0.292 175.216 175.510 -0.003 0.000 1.122 403 N CA -0.175 52.884 53.050 0.015 0.000 0.845 403 N CB -0.242 38.284 38.487 0.065 0.000 1.004 403 N HN -0.024 nan 8.380 nan 0.000 0.499 404 S N -0.172 115.482 115.700 -0.077 0.000 2.573 404 S HA 0.260 4.929 4.470 0.332 0.000 0.277 404 S C 0.133 174.601 174.600 -0.222 0.000 1.346 404 S CA -0.298 57.836 58.200 -0.112 0.000 1.034 404 S CB 1.029 64.154 63.200 -0.126 0.000 0.879 404 S HN 0.107 nan 8.310 nan 0.000 0.528 405 R N 0.746 121.105 120.500 -0.236 0.000 2.795 405 R HA 0.521 5.060 4.340 0.332 0.000 0.275 405 R C -1.025 175.079 176.300 -0.327 0.000 0.981 405 R CA -0.682 55.095 56.100 -0.538 0.000 0.917 405 R CB 1.392 31.106 30.300 -0.976 0.000 1.202 405 R HN 0.796 nan 8.270 nan 0.000 0.469 406 F N -1.301 118.410 119.950 -0.399 0.000 2.458 406 F HA 0.666 5.396 4.527 0.338 0.000 0.330 406 F C -0.202 175.377 175.800 -0.368 0.000 1.082 406 F CA -1.444 56.288 58.000 -0.446 0.000 0.995 406 F CB 1.215 39.931 39.000 -0.474 0.000 1.170 406 F HN 0.320 nan 8.300 nan 0.000 0.478 407 C N 3.336 122.608 119.300 -0.048 0.000 2.356 407 C HA 0.770 5.429 4.460 0.332 0.000 0.324 407 C C -0.599 174.429 174.990 0.063 0.000 1.167 407 C CA 0.106 59.189 59.018 0.108 0.000 1.420 407 C CB -0.117 27.736 27.740 0.189 0.000 2.036 407 C HN 1.097 nan 8.230 nan 0.000 0.435 408 T N 6.801 121.427 114.554 0.121 0.000 2.912 408 T HA 0.629 5.178 4.350 0.332 0.000 0.299 408 T C -2.985 171.697 174.700 -0.031 0.000 1.052 408 T CA -1.028 61.105 62.100 0.055 0.000 0.996 408 T CB 1.890 70.806 68.868 0.080 0.000 1.070 408 T HN 0.481 nan 8.240 nan 0.000 0.465 409 P HA 0.251 nan 4.420 nan 0.000 0.267 409 P C 0.151 177.278 177.300 -0.288 0.000 1.205 409 P CA -0.129 62.876 63.100 -0.159 0.000 0.765 409 P CB 0.556 32.207 31.700 -0.082 0.000 0.828 410 A N 3.522 125.992 122.820 -0.583 0.000 1.902 410 A HA -0.185 4.334 4.320 0.332 0.000 0.217 410 A C 2.156 179.360 177.584 -0.632 0.000 1.181 410 A CA 2.187 53.633 52.037 -0.984 0.000 0.623 410 A CB -1.699 16.433 19.000 -1.447 0.000 0.818 410 A HN 0.591 nan 8.150 nan 0.000 0.443 411 S N -0.431 115.038 115.700 -0.385 0.000 2.440 411 S HA -0.254 4.415 4.470 0.332 0.000 0.238 411 S C 1.677 176.233 174.600 -0.073 0.000 1.010 411 S CA 1.561 59.688 58.200 -0.121 0.000 0.972 411 S CB -0.514 62.752 63.200 0.108 0.000 0.774 411 S HN 0.704 nan 8.310 nan 0.000 0.501 412 Q N -0.234 119.524 119.800 -0.071 0.000 2.451 412 Q HA 0.188 4.727 4.340 0.332 0.000 0.206 412 Q C 0.654 176.649 176.000 -0.009 0.000 0.947 412 Q CA 0.002 55.792 55.803 -0.021 0.000 0.937 412 Q CB -0.043 28.690 28.738 -0.009 0.000 1.025 412 Q HN 0.665 nan 8.270 nan 0.000 0.511 413 C N 2.947 122.247 119.300 0.000 0.000 2.651 413 C HA 0.085 4.744 4.460 0.332 0.000 0.410 413 C C -0.855 174.125 174.990 -0.016 0.000 1.372 413 C CA -1.644 57.386 59.018 0.021 0.000 1.707 413 C CB 0.435 28.233 27.740 0.096 0.000 2.501 413 C HN 0.361 nan 8.230 nan 0.000 0.598 414 P HA -0.082 nan 4.420 nan 0.000 0.222 414 P C 0.602 177.899 177.300 -0.005 0.000 1.147 414 P CA 1.511 64.605 63.100 -0.011 0.000 0.790 414 P CB -0.191 31.498 31.700 -0.017 0.000 0.780 415 I N -4.374 116.189 120.570 -0.012 0.000 3.816 415 I HA 0.332 4.701 4.170 0.332 0.000 0.334 415 I C 0.361 176.484 176.117 0.009 0.000 1.551 415 I CA -1.101 60.200 61.300 0.002 0.000 1.153 415 I CB -0.359 37.639 38.000 -0.003 0.000 1.197 415 I HN -0.332 nan 8.210 nan 0.000 0.439 416 I N 2.568 123.130 120.570 -0.014 0.000 2.710 416 I HA -0.026 4.343 4.170 0.332 0.000 0.286 416 I C 0.695 176.854 176.117 0.069 0.000 1.181 416 I CA 0.501 61.765 61.300 -0.060 0.000 1.430 416 I CB 0.210 38.048 38.000 -0.271 0.000 1.367 416 I HN 0.329 nan 8.210 nan 0.000 0.577 417 D N 9.508 130.000 120.400 0.152 0.000 2.389 417 D HA 0.095 4.934 4.640 0.332 0.000 0.247 417 D C -1.695 174.808 176.300 0.339 0.000 1.128 417 D CA -1.265 52.889 54.000 0.255 0.000 0.884 417 D CB 1.625 42.630 40.800 0.341 0.000 1.194 417 D HN 0.362 nan 8.370 nan 0.000 0.441 418 P HA -0.068 nan 4.420 nan 0.000 0.225 418 P C 0.391 177.804 177.300 0.188 0.000 1.148 418 P CA 0.595 63.826 63.100 0.219 0.000 0.779 418 P CB 0.231 32.020 31.700 0.148 0.000 0.780 419 A N -0.513 122.433 122.820 0.211 0.000 2.465 419 A HA 0.097 4.616 4.320 0.332 0.000 0.255 419 A C 1.682 179.315 177.584 0.082 0.000 1.274 419 A CA -0.684 51.414 52.037 0.101 0.000 0.920 419 A CB -1.399 17.648 19.000 0.077 0.000 1.033 419 A HN 0.321 nan 8.150 nan 0.000 0.516 420 W N 0.818 122.139 121.300 0.034 0.000 2.387 420 W HA -0.085 4.769 4.660 0.323 0.000 0.272 420 W C 0.016 176.518 176.519 -0.029 0.000 1.224 420 W CA 1.443 58.796 57.345 0.015 0.000 1.210 420 W CB -0.258 29.230 29.460 0.046 0.000 1.125 420 W HN 0.518 nan 8.180 nan 0.000 0.572 421 E N 0.720 120.506 120.200 -0.690 0.000 2.583 421 E HA 0.080 4.629 4.350 0.332 0.000 0.213 421 E C 0.168 176.543 176.600 -0.373 0.000 0.989 421 E CA -0.145 55.812 56.400 -0.739 0.000 0.991 421 E CB 0.551 29.640 29.700 -1.018 0.000 1.040 421 E HN -0.104 nan 8.360 nan 0.000 0.481 422 S N 3.761 119.318 115.700 -0.239 0.000 2.544 422 S HA -0.002 4.667 4.470 0.332 0.000 0.290 422 S C -1.297 173.212 174.600 -0.152 0.000 1.276 422 S CA -0.765 57.340 58.200 -0.158 0.000 1.075 422 S CB 0.592 63.728 63.200 -0.107 0.000 0.849 422 S HN 0.196 nan 8.310 nan 0.000 0.494 423 P HA -0.120 nan 4.420 nan 0.000 0.222 423 P C 0.811 178.051 177.300 -0.100 0.000 1.147 423 P CA 0.935 63.965 63.100 -0.116 0.000 0.790 423 P CB 0.220 31.861 31.700 -0.098 0.000 0.780 424 E N -0.059 120.085 120.200 -0.093 0.000 2.274 424 E HA 0.119 4.668 4.350 0.332 0.000 0.194 424 E C 1.362 177.904 176.600 -0.098 0.000 0.996 424 E CA 0.843 57.192 56.400 -0.084 0.000 0.840 424 E CB -0.492 29.166 29.700 -0.070 0.000 0.772 424 E HN 0.268 nan 8.360 nan 0.000 0.491 425 G N 1.072 109.802 108.800 -0.116 0.000 2.756 425 G HA2 -0.206 3.953 3.960 0.332 0.000 0.678 425 G HA3 -0.206 3.953 3.960 0.332 0.000 0.678 425 G C -0.127 174.660 174.900 -0.189 0.000 1.349 425 G CA -0.314 44.705 45.100 -0.135 0.000 0.847 425 G HN 0.439 nan 8.290 nan 0.000 0.548 426 V N -1.972 117.775 119.914 -0.278 0.000 2.547 426 V HA 0.856 5.175 4.120 0.332 0.000 0.299 426 V C -2.076 173.838 176.094 -0.300 0.000 1.040 426 V CA -2.026 59.978 62.300 -0.494 0.000 0.913 426 V CB 2.006 33.095 31.823 -1.223 0.000 0.992 426 V HN 0.862 nan 8.190 nan 0.000 0.449 427 P HA 0.321 nan 4.420 nan 0.000 0.280 427 P C -0.485 176.843 177.300 0.047 0.000 1.300 427 P CA -0.087 62.990 63.100 -0.039 0.000 0.785 427 P CB 0.523 32.234 31.700 0.019 0.000 0.874 428 I N 4.125 124.707 120.570 0.021 0.000 2.416 428 I HA 0.101 4.469 4.170 0.332 0.000 0.288 428 I C 1.407 177.576 176.117 0.086 0.000 1.051 428 I CA 0.273 61.622 61.300 0.081 0.000 1.375 428 I CB 0.179 38.212 38.000 0.055 0.000 1.407 428 I HN 0.434 nan 8.210 nan 0.000 0.516 429 E N 3.709 123.975 120.200 0.111 0.000 2.465 429 E HA 0.247 4.796 4.350 0.332 0.000 0.209 429 E C 0.736 177.411 176.600 0.125 0.000 0.951 429 E CA -0.095 56.358 56.400 0.088 0.000 0.997 429 E CB 1.198 30.917 29.700 0.033 0.000 1.025 429 E HN 0.787 nan 8.360 nan 0.000 0.500 430 G N 1.037 109.934 108.800 0.162 0.000 2.706 430 G HA2 0.608 4.767 3.960 0.332 0.000 0.297 430 G HA3 0.608 4.767 3.960 0.332 0.000 0.297 430 G C -1.257 173.751 174.900 0.179 0.000 1.403 430 G CA -0.604 44.631 45.100 0.226 0.000 0.954 430 G HN -0.046 nan 8.290 nan 0.000 0.500 431 I N 1.492 122.142 120.570 0.132 0.000 2.436 431 I HA 0.441 4.809 4.170 0.332 0.000 0.289 431 I C -0.607 175.396 176.117 -0.190 0.000 1.010 431 I CA -0.716 60.562 61.300 -0.036 0.000 1.098 431 I CB 2.129 40.117 38.000 -0.020 0.000 1.266 431 I HN 0.213 nan 8.210 nan 0.000 0.434 432 I N 5.789 126.188 120.570 -0.284 0.000 2.433 432 I HA 0.426 4.795 4.170 0.332 0.000 0.292 432 I C -0.881 174.920 176.117 -0.526 0.000 1.001 432 I CA -0.459 60.686 61.300 -0.258 0.000 1.119 432 I CB 1.339 39.308 38.000 -0.052 0.000 1.289 432 I HN 0.261 nan 8.210 nan 0.000 0.438 433 F N 3.090 122.973 119.950 -0.111 0.000 2.470 433 F HA 0.883 5.605 4.527 0.326 0.000 0.329 433 F C 0.722 176.353 175.800 -0.281 0.000 1.072 433 F CA -0.866 57.040 58.000 -0.158 0.000 0.989 433 F CB 2.089 41.014 39.000 -0.126 0.000 1.193 433 F HN 0.477 nan 8.300 nan 0.000 0.481 434 G N -0.412 108.447 108.800 0.099 0.000 2.547 434 G HA2 0.576 4.735 3.960 0.332 0.000 0.291 434 G HA3 0.576 4.735 3.960 0.332 0.000 0.291 434 G C -1.410 173.460 174.900 -0.049 0.000 1.471 434 G CA -0.187 44.724 45.100 -0.315 0.000 0.798 434 G HN 0.977 nan 8.290 nan 0.000 0.504 435 G N -0.959 107.761 108.800 -0.133 0.000 2.827 435 G HA2 0.637 4.796 3.960 0.332 0.000 0.296 435 G HA3 0.637 4.796 3.960 0.332 0.000 0.296 435 G C -1.099 173.808 174.900 0.012 0.000 1.362 435 G CA -0.889 44.193 45.100 -0.031 0.000 0.809 435 G HN 0.629 nan 8.290 nan 0.000 0.522 436 R N 0.765 121.239 120.500 -0.044 0.000 2.205 436 R HA 0.446 4.985 4.340 0.332 0.000 0.342 436 R C -0.785 175.530 176.300 0.024 0.000 1.058 436 R CA -0.494 55.576 56.100 -0.050 0.000 0.904 436 R CB 0.281 30.365 30.300 -0.360 0.000 1.089 436 R HN 0.215 nan 8.270 nan 0.000 0.471 437 R N 5.926 126.491 120.500 0.109 0.000 2.422 437 R HA 0.226 4.765 4.340 0.332 0.000 0.307 437 R C -2.060 174.288 176.300 0.080 0.000 1.004 437 R CA -2.304 53.838 56.100 0.070 0.000 0.882 437 R CB 1.733 32.075 30.300 0.069 0.000 1.164 437 R HN 0.540 nan 8.270 nan 0.000 0.489 438 P HA -0.068 nan 4.420 nan 0.000 0.222 438 P C -0.081 177.204 177.300 -0.024 0.000 1.147 438 P CA 0.887 64.014 63.100 0.046 0.000 0.790 438 P CB 0.582 32.288 31.700 0.010 0.000 0.780 439 A N -1.868 120.906 122.820 -0.077 0.000 2.454 439 A HA 0.646 5.165 4.320 0.332 0.000 0.302 439 A C 1.010 178.233 177.584 -0.602 0.000 1.079 439 A CA -0.031 51.866 52.037 -0.234 0.000 0.731 439 A CB 1.138 20.049 19.000 -0.147 0.000 1.299 439 A HN 0.169 nan 8.150 nan 0.000 0.413 440 G N -0.524 107.742 108.800 -0.890 0.000 2.377 440 G HA2 -0.178 3.981 3.960 0.332 0.000 0.250 440 G HA3 -0.178 3.981 3.960 0.332 0.000 0.250 440 G C 0.294 174.809 174.900 -0.641 0.000 1.039 440 G CA 0.502 44.615 45.100 -1.646 0.000 0.625 440 G HN 1.667 nan 8.290 nan 0.000 0.526 441 V N 3.169 122.917 119.914 -0.276 0.000 2.350 441 V HA 0.475 4.794 4.120 0.332 0.000 0.276 441 V C -1.605 174.531 176.094 0.070 0.000 1.028 441 V CA -1.577 60.805 62.300 0.138 0.000 0.860 441 V CB 1.560 33.511 31.823 0.214 0.000 0.990 441 V HN 0.121 nan 8.190 nan 0.000 0.453 442 P HA 0.015 nan 4.420 nan 0.000 0.269 442 P C 0.876 178.037 177.300 -0.233 0.000 1.217 442 P CA -0.246 62.788 63.100 -0.110 0.000 0.783 442 P CB 0.649 32.388 31.700 0.066 0.000 0.898 443 L N 3.383 124.208 121.223 -0.662 0.000 2.043 443 L HA -0.066 4.472 4.340 0.332 0.000 0.212 443 L C 0.524 177.140 176.870 -0.424 0.000 1.075 443 L CA 2.086 56.529 54.840 -0.661 0.000 0.752 443 L CB -0.136 41.296 42.059 -1.045 0.000 0.891 443 L HN 0.227 nan 8.230 nan 0.000 0.432 444 V N -0.929 118.864 119.914 -0.201 0.000 2.924 444 V HA 0.442 4.761 4.120 0.332 0.000 0.300 444 V C -1.698 174.559 176.094 0.271 0.000 1.227 444 V CA -0.567 61.728 62.300 -0.008 0.000 0.954 444 V CB 1.917 33.709 31.823 -0.051 0.000 1.055 444 V HN 0.359 nan 8.190 nan 0.000 0.429 445 Y N 2.482 122.946 120.300 0.274 0.000 2.625 445 Y HA 0.826 5.575 4.550 0.333 0.000 0.338 445 Y C -0.900 175.317 175.900 0.528 0.000 1.123 445 Y CA -0.951 57.364 58.100 0.359 0.000 1.046 445 Y CB 1.692 40.288 38.460 0.226 0.000 1.299 445 Y HN 0.720 nan 8.280 nan 0.000 0.464 446 E N 2.224 122.859 120.200 0.726 0.000 2.187 446 E HA 0.710 5.259 4.350 0.332 0.000 0.268 446 E C -0.918 175.941 176.600 0.431 0.000 0.896 446 E CA -1.113 55.581 56.400 0.490 0.000 0.766 446 E CB 1.791 31.809 29.700 0.531 0.000 1.142 446 E HN 1.050 nan 8.360 nan 0.000 0.408 447 A N 4.165 127.120 122.820 0.226 0.000 2.425 447 A HA 0.142 4.661 4.320 0.332 0.000 0.242 447 A C 0.880 178.696 177.584 0.387 0.000 1.077 447 A CA -0.133 52.069 52.037 0.276 0.000 0.781 447 A CB 0.229 19.241 19.000 0.020 0.000 1.020 447 A HN 0.833 nan 8.150 nan 0.000 0.494 448 L N 1.155 122.706 121.223 0.546 0.000 2.492 448 L HA 0.102 4.641 4.340 0.332 0.000 0.223 448 L C 0.880 177.911 176.870 0.269 0.000 1.132 448 L CA 0.990 56.001 54.840 0.285 0.000 0.850 448 L CB -0.683 41.382 42.059 0.010 0.000 0.966 448 L HN 0.879 nan 8.230 nan 0.000 0.454 449 S N -3.934 111.940 115.700 0.290 0.000 2.643 449 S HA 0.013 4.682 4.470 0.332 0.000 0.266 449 S C -0.106 174.683 174.600 0.316 0.000 1.130 449 S CA -0.944 57.417 58.200 0.268 0.000 0.817 449 S CB 0.081 63.416 63.200 0.225 0.000 1.107 449 S HN 0.200 nan 8.310 nan 0.000 0.471 450 W N 1.236 122.621 121.300 0.140 0.000 2.318 450 W HA -0.227 4.629 4.660 0.328 0.000 0.313 450 W C 1.531 178.177 176.519 0.211 0.000 1.221 450 W CA 2.554 60.001 57.345 0.169 0.000 1.266 450 W CB -0.375 29.163 29.460 0.129 0.000 1.150 450 W HN 0.876 nan 8.180 nan 0.000 0.496 451 Q N -1.192 118.764 119.800 0.260 0.000 2.119 451 Q HA -0.230 4.309 4.340 0.332 0.000 0.201 451 Q C 2.250 178.355 176.000 0.175 0.000 0.972 451 Q CA 2.039 57.947 55.803 0.174 0.000 0.847 451 Q CB -1.289 27.577 28.738 0.214 0.000 0.903 451 Q HN 0.511 nan 8.270 nan 0.000 0.433 452 H N -0.575 118.554 119.070 0.099 0.000 2.357 452 H HA -0.067 4.689 4.556 0.333 0.000 0.301 452 H C 1.888 177.313 175.328 0.161 0.000 1.082 452 H CA 1.120 57.241 56.048 0.122 0.000 1.342 452 H CB 0.000 29.811 29.762 0.081 0.000 1.389 452 H HN 0.373 nan 8.280 nan 0.000 0.511 453 G N 0.453 109.224 108.800 -0.048 0.000 2.440 453 G HA2 -0.231 3.928 3.960 0.332 0.000 0.218 453 G HA3 -0.231 3.928 3.960 0.332 0.000 0.218 453 G C 1.846 176.629 174.900 -0.195 0.000 1.154 453 G CA 1.076 46.094 45.100 -0.137 0.000 0.767 453 G HN 0.343 nan 8.290 nan 0.000 0.552 454 V N 0.475 120.240 119.914 -0.248 0.000 2.343 454 V HA -0.135 4.184 4.120 0.332 0.000 0.247 454 V C 2.319 178.366 176.094 -0.078 0.000 1.051 454 V CA 1.825 64.028 62.300 -0.162 0.000 1.036 454 V CB -0.677 31.095 31.823 -0.085 0.000 0.654 454 V HN 0.415 nan 8.190 nan 0.000 0.451 455 F N 0.865 120.753 119.950 -0.104 0.000 2.126 455 F HA -0.214 4.514 4.527 0.334 0.000 0.299 455 F C 2.215 177.923 175.800 -0.154 0.000 1.096 455 F CA 1.966 59.935 58.000 -0.052 0.000 1.255 455 F CB -0.393 38.637 39.000 0.051 0.000 0.997 455 F HN -0.031 nan 8.300 nan 0.000 0.479 456 V N 0.791 120.529 119.914 -0.293 0.000 2.287 456 V HA -0.283 4.036 4.120 0.332 0.000 0.248 456 V C 2.802 178.456 176.094 -0.733 0.000 1.053 456 V CA 2.025 64.084 62.300 -0.402 0.000 1.027 456 V CB -1.734 29.993 31.823 -0.160 0.000 0.646 456 V HN 0.584 nan 8.190 nan 0.000 0.447 457 G N -0.362 107.667 108.800 -1.284 0.000 2.446 457 G HA2 -0.255 3.904 3.960 0.332 0.000 0.217 457 G HA3 -0.255 3.904 3.960 0.332 0.000 0.217 457 G C 1.765 175.948 174.900 -1.194 0.000 1.168 457 G CA 1.104 44.731 45.100 -2.455 0.000 0.771 457 G HN 0.635 nan 8.290 nan 0.000 0.551 458 A N 0.757 123.279 122.820 -0.497 0.000 1.978 458 A HA 0.317 4.836 4.320 0.332 0.000 0.220 458 A C 2.533 180.088 177.584 -0.049 0.000 1.170 458 A CA 2.128 54.230 52.037 0.107 0.000 0.636 458 A CB -0.418 18.683 19.000 0.167 0.000 0.810 458 A HN 0.893 nan 8.150 nan 0.000 0.448 459 A N -1.326 121.264 122.820 -0.385 0.000 2.275 459 A HA 0.483 5.002 4.320 0.332 0.000 0.212 459 A C 0.886 178.327 177.584 -0.239 0.000 1.201 459 A CA -0.362 51.492 52.037 -0.305 0.000 0.843 459 A CB -0.461 18.165 19.000 -0.623 0.000 0.873 459 A HN 0.504 nan 8.150 nan 0.000 0.492 460 M N 1.030 120.484 119.600 -0.244 0.000 2.261 460 M HA 0.083 4.762 4.480 0.332 0.000 0.350 460 M C 0.114 176.250 176.300 -0.273 0.000 1.343 460 M CA 1.092 56.283 55.300 -0.182 0.000 1.003 460 M CB 0.184 32.700 32.600 -0.139 0.000 1.848 460 M HN 0.305 nan 8.290 nan 0.000 0.456 461 R N 1.347 121.690 120.500 -0.261 0.000 2.725 461 R HA 0.700 5.239 4.340 0.332 0.000 0.277 461 R C -1.278 174.926 176.300 -0.160 0.000 0.987 461 R CA -0.798 55.090 56.100 -0.353 0.000 0.901 461 R CB 2.441 32.423 30.300 -0.531 0.000 1.207 461 R HN 0.615 nan 8.270 nan 0.000 0.463 462 S N 0.362 115.974 115.700 -0.147 0.000 2.536 462 S HA 0.144 4.813 4.470 0.332 0.000 0.271 462 S C -1.386 173.157 174.600 -0.095 0.000 1.134 462 S CA -0.719 57.427 58.200 -0.091 0.000 0.897 462 S CB 1.677 64.838 63.200 -0.066 0.000 1.094 462 S HN 0.588 nan 8.310 nan 0.000 0.473 463 E N 2.302 122.450 120.200 -0.087 0.000 2.366 463 E HA 0.446 4.994 4.350 0.332 0.000 0.266 463 E C 0.291 176.839 176.600 -0.086 0.000 1.015 463 E CA -0.161 56.191 56.400 -0.080 0.000 0.906 463 E CB 0.703 30.361 29.700 -0.070 0.000 0.979 463 E HN 0.637 nan 8.360 nan 0.000 0.443 473 K N -0.175 120.213 120.400 -0.019 0.000 2.118 473 K HA 0.713 5.232 4.320 0.332 0.000 0.264 473 K C -0.311 176.274 176.600 -0.025 0.000 1.000 473 K CA -0.457 55.816 56.287 -0.023 0.000 0.929 473 K CB 1.856 34.340 32.500 -0.027 0.000 1.021 473 K HN 0.284 nan 8.250 nan 0.000 0.463 474 V N 4.117 124.013 119.914 -0.030 0.000 2.656 474 V HA 0.407 4.726 4.120 0.332 0.000 0.307 474 V C -0.509 175.557 176.094 -0.047 0.000 1.051 474 V CA -0.840 61.441 62.300 -0.033 0.000 0.893 474 V CB 1.710 33.517 31.823 -0.025 0.000 0.999 474 V HN 0.615 nan 8.190 nan 0.000 0.426 475 I N 5.558 126.094 120.570 -0.057 0.000 2.339 475 I HA 0.450 4.819 4.170 0.332 0.000 0.290 475 I C -0.248 175.807 176.117 -0.104 0.000 0.994 475 I CA -0.136 61.112 61.300 -0.087 0.000 1.191 475 I CB 1.320 39.261 38.000 -0.099 0.000 1.343 475 I HN 0.375 nan 8.210 nan 0.000 0.458 476 M N 4.706 124.236 119.600 -0.117 0.000 2.644 476 M HA 0.431 5.110 4.480 0.332 0.000 0.316 476 M C -0.210 175.969 176.300 -0.203 0.000 1.200 476 M CA -0.643 54.594 55.300 -0.104 0.000 0.944 476 M CB 1.506 34.072 32.600 -0.058 0.000 1.691 476 M HN 0.417 nan 8.290 nan 0.000 0.471 477 H N 1.105 120.011 119.070 -0.273 0.000 2.610 477 H HA 0.180 4.934 4.556 0.330 0.000 0.336 477 H C -0.765 174.435 175.328 -0.214 0.000 1.087 477 H CA 0.545 56.361 56.048 -0.387 0.000 1.405 477 H CB 1.047 30.246 29.762 -0.939 0.000 1.460 477 H HN 0.431 nan 8.280 nan 0.000 0.538 478 D N 4.639 124.992 120.400 -0.079 0.000 2.621 478 D HA 0.160 4.999 4.640 0.332 0.000 0.274 478 D C -2.693 173.600 176.300 -0.011 0.000 1.215 478 D CA -1.782 52.198 54.000 -0.034 0.000 0.810 478 D CB 0.875 41.665 40.800 -0.018 0.000 1.248 478 D HN 0.243 nan 8.370 nan 0.000 0.517 479 P HA 0.007 nan 4.420 nan 0.000 0.261 479 P C 0.290 177.754 177.300 0.272 0.000 1.183 479 P CA 0.004 63.164 63.100 0.100 0.000 0.761 479 P CB 0.034 31.754 31.700 0.032 0.000 0.785 480 F N 1.483 121.377 119.950 -0.094 0.000 3.048 480 F HA -0.305 4.420 4.527 0.331 0.000 0.287 480 F C 1.479 177.367 175.800 0.146 0.000 0.796 480 F CA 1.132 59.141 58.000 0.016 0.000 1.111 480 F CB -2.608 36.527 39.000 0.224 0.000 1.320 480 F HN 0.585 nan 8.300 nan 0.000 0.430 481 A N -1.523 121.423 122.820 0.209 0.000 2.816 481 A HA -0.303 4.216 4.320 0.332 0.000 0.270 481 A C 1.359 179.129 177.584 0.310 0.000 1.413 481 A CA 1.701 53.895 52.037 0.261 0.000 0.866 481 A CB -1.406 17.763 19.000 0.282 0.000 1.032 481 A HN 0.440 nan 8.150 nan 0.000 0.642 482 M N -1.560 118.032 119.600 -0.014 0.000 2.346 482 M HA 0.146 4.825 4.480 0.332 0.000 0.280 482 M C 1.595 177.291 176.300 -1.007 0.000 1.075 482 M CA 0.363 55.408 55.300 -0.424 0.000 0.989 482 M CB -0.303 31.812 32.600 -0.810 0.000 1.447 482 M HN 0.630 nan 8.290 nan 0.000 0.511 483 R N 1.855 122.017 120.500 -0.563 0.000 2.103 483 R HA -0.132 4.407 4.340 0.332 0.000 0.242 483 R C -1.061 174.974 176.300 -0.442 0.000 1.142 483 R CA 1.703 57.567 56.100 -0.393 0.000 0.960 483 R CB -0.813 29.393 30.300 -0.157 0.000 0.858 483 R HN 0.177 nan 8.270 nan 0.000 0.439 484 P HA 0.039 nan 4.420 nan 0.000 0.249 484 P C -0.168 176.616 177.300 -0.860 0.000 1.229 484 P CA 0.764 63.370 63.100 -0.825 0.000 0.788 484 P CB 0.138 31.168 31.700 -1.117 0.000 1.072 485 F N -3.028 116.723 119.950 -0.332 0.000 2.746 485 F HA 0.314 5.049 4.527 0.346 0.000 0.320 485 F C 0.625 176.253 175.800 -0.287 0.000 1.097 485 F CA -0.972 56.851 58.000 -0.296 0.000 1.195 485 F CB -0.637 38.184 39.000 -0.299 0.000 1.056 485 F HN -0.313 nan 8.300 nan 0.000 0.562 486 F N 1.085 120.990 119.950 -0.075 0.000 2.602 486 F HA 0.305 5.038 4.527 0.344 0.000 0.385 486 F C 1.672 177.425 175.800 -0.077 0.000 1.063 486 F CA -0.156 57.742 58.000 -0.171 0.000 1.233 486 F CB 0.275 39.096 39.000 -0.299 0.000 1.067 486 F HN 0.095 nan 8.300 nan 0.000 0.564 487 G N 2.953 111.874 108.800 0.203 0.000 2.813 487 G HA2 0.093 4.252 3.960 0.332 0.000 0.209 487 G HA3 0.093 4.252 3.960 0.332 0.000 0.209 487 G C -0.375 174.708 174.900 0.304 0.000 1.150 487 G CA 0.500 45.724 45.100 0.208 0.000 0.785 487 G HN 0.668 nan 8.290 nan 0.000 0.535 488 Y N -2.664 117.706 120.300 0.117 0.000 2.853 488 Y HA 0.500 5.239 4.550 0.316 0.000 0.326 488 Y C -0.560 175.370 175.900 0.051 0.000 1.384 488 Y CA -2.438 55.703 58.100 0.069 0.000 1.077 488 Y CB 0.129 38.610 38.460 0.034 0.000 1.395 488 Y HN -0.163 nan 8.280 nan 0.000 0.451 489 N N 1.641 120.387 118.700 0.077 0.000 2.301 489 N HA -0.140 4.799 4.740 0.332 0.000 0.267 489 N C 0.545 175.906 175.510 -0.248 0.000 1.304 489 N CA 0.428 53.446 53.050 -0.054 0.000 0.851 489 N CB 0.096 38.602 38.487 0.031 0.000 1.070 489 N HN 0.800 nan 8.380 nan 0.000 0.483 490 F N 4.719 124.348 119.950 -0.535 0.000 2.171 490 F HA 0.007 4.732 4.527 0.330 0.000 0.300 490 F C 2.009 177.612 175.800 -0.328 0.000 1.090 490 F CA 1.875 59.401 58.000 -0.788 0.000 1.293 490 F CB -0.658 37.727 39.000 -1.026 0.000 1.013 490 F HN 0.556 nan 8.300 nan 0.000 0.486 491 G N 0.810 109.351 108.800 -0.431 0.000 2.440 491 G HA2 -0.264 3.895 3.960 0.332 0.000 0.218 491 G HA3 -0.264 3.895 3.960 0.332 0.000 0.218 491 G C 1.775 176.567 174.900 -0.180 0.000 1.154 491 G CA 0.784 45.667 45.100 -0.363 0.000 0.767 491 G HN 0.219 nan 8.290 nan 0.000 0.552 492 K N -0.151 120.221 120.400 -0.046 0.000 2.148 492 K HA -0.067 4.452 4.320 0.332 0.000 0.204 492 K C 2.021 178.776 176.600 0.259 0.000 1.050 492 K CA 0.822 57.186 56.287 0.128 0.000 0.942 492 K CB -0.625 32.020 32.500 0.242 0.000 0.724 492 K HN 0.550 nan 8.250 nan 0.000 0.446 493 Y N 1.728 122.002 120.300 -0.043 0.000 2.145 493 Y HA -0.168 4.581 4.550 0.331 0.000 0.286 493 Y C 2.016 177.974 175.900 0.097 0.000 1.145 493 Y CA 1.350 59.455 58.100 0.008 0.000 1.148 493 Y CB -0.310 37.944 38.460 -0.343 0.000 0.981 493 Y HN -0.110 nan 8.280 nan 0.000 0.507 494 L N 0.021 121.175 121.223 -0.115 0.000 2.017 494 L HA -0.244 4.295 4.340 0.332 0.000 0.208 494 L C 2.862 179.765 176.870 0.055 0.000 1.073 494 L CA 1.242 55.998 54.840 -0.140 0.000 0.745 494 L CB -1.101 40.781 42.059 -0.294 0.000 0.894 494 L HN 0.370 nan 8.230 nan 0.000 0.432 495 A N -0.539 122.322 122.820 0.068 0.000 1.917 495 A HA -0.327 4.192 4.320 0.332 0.000 0.219 495 A C 2.130 179.838 177.584 0.207 0.000 1.182 495 A CA 2.207 54.325 52.037 0.135 0.000 0.633 495 A CB -0.878 18.186 19.000 0.107 0.000 0.819 495 A HN 0.536 nan 8.150 nan 0.000 0.448 496 H N -2.186 116.951 119.070 0.113 0.000 2.321 496 H HA -0.181 4.574 4.556 0.331 0.000 0.300 496 H C 1.778 177.175 175.328 0.115 0.000 1.087 496 H CA 2.084 58.186 56.048 0.090 0.000 1.319 496 H CB -0.430 29.383 29.762 0.085 0.000 1.379 496 H HN 0.627 nan 8.280 nan 0.000 0.501 497 W N 0.611 121.859 121.300 -0.087 0.000 2.335 497 W HA -0.157 4.695 4.660 0.319 0.000 0.311 497 W C 2.537 179.258 176.519 0.336 0.000 1.213 497 W CA 1.563 58.933 57.345 0.041 0.000 1.274 497 W CB -0.583 28.818 29.460 -0.098 0.000 1.148 497 W HN 0.194 nan 8.180 nan 0.000 0.498 498 L N 0.175 121.681 121.223 0.470 0.000 2.131 498 L HA -0.249 4.290 4.340 0.332 0.000 0.210 498 L C 2.643 179.761 176.870 0.413 0.000 1.092 498 L CA 1.676 56.802 54.840 0.476 0.000 0.759 498 L CB -1.188 41.063 42.059 0.321 0.000 0.903 498 L HN 0.037 nan 8.230 nan 0.000 0.435 499 S N -0.667 115.198 115.700 0.276 0.000 2.447 499 S HA -0.178 4.491 4.470 0.332 0.000 0.233 499 S C 1.907 176.553 174.600 0.077 0.000 1.006 499 S CA 0.821 59.148 58.200 0.212 0.000 0.957 499 S CB -0.368 62.909 63.200 0.128 0.000 0.773 499 S HN 0.350 nan 8.310 nan 0.000 0.507 500 M N 1.513 121.121 119.600 0.012 0.000 2.279 500 M HA 0.019 4.698 4.480 0.332 0.000 0.264 500 M C 2.540 178.561 176.300 -0.465 0.000 1.062 500 M CA 1.401 56.565 55.300 -0.227 0.000 1.099 500 M CB -0.590 31.914 32.600 -0.161 0.000 1.394 500 M HN 0.549 nan 8.290 nan 0.000 0.426 501 A N -0.848 121.713 122.820 -0.432 0.000 2.125 501 A HA -0.146 4.373 4.320 0.332 0.000 0.219 501 A C 1.525 178.775 177.584 -0.556 0.000 1.156 501 A CA 1.243 52.939 52.037 -0.569 0.000 0.671 501 A CB -0.786 17.959 19.000 -0.426 0.000 0.794 501 A HN 0.535 nan 8.150 nan 0.000 0.459 502 H N -1.645 117.336 119.070 -0.148 0.000 2.652 502 H HA 0.165 4.919 4.556 0.331 0.000 0.274 502 H C 0.503 175.745 175.328 -0.143 0.000 1.021 502 H CA -0.186 55.796 56.048 -0.109 0.000 1.187 502 H CB 0.101 29.833 29.762 -0.050 0.000 1.505 502 H HN 0.389 nan 8.280 nan 0.000 0.530 503 R N 3.389 123.795 120.500 -0.157 0.000 2.316 503 R HA 0.107 4.646 4.340 0.332 0.000 0.314 503 R C -2.342 173.823 176.300 -0.225 0.000 1.069 503 R CA -1.446 54.532 56.100 -0.204 0.000 0.959 503 R CB 0.435 30.529 30.300 -0.344 0.000 0.987 503 R HN 0.006 nan 8.270 nan 0.000 0.446 504 P HA -0.036 nan 4.420 nan 0.000 0.265 504 P C -0.081 177.127 177.300 -0.154 0.000 1.193 504 P CA 0.725 63.751 63.100 -0.124 0.000 0.765 504 P CB 1.175 32.830 31.700 -0.076 0.000 0.823 505 A N 1.785 124.521 122.820 -0.141 0.000 3.829 505 A HA -0.172 4.347 4.320 0.332 0.000 0.264 505 A C 0.934 178.412 177.584 -0.177 0.000 0.998 505 A CA 0.893 52.855 52.037 -0.125 0.000 1.270 505 A CB -2.521 16.430 19.000 -0.081 0.000 1.063 505 A HN 0.925 nan 8.150 nan 0.000 0.879 506 A N 0.241 122.863 122.820 -0.330 0.000 2.548 506 A HA 0.432 4.951 4.320 0.332 0.000 0.247 506 A C 0.405 177.800 177.584 -0.315 0.000 1.067 506 A CA 1.054 52.757 52.037 -0.557 0.000 0.757 506 A CB -0.144 18.193 19.000 -1.105 0.000 0.996 506 A HN 0.529 nan 8.150 nan 0.000 0.504 507 K N 3.234 123.585 120.400 -0.082 0.000 2.266 507 K HA 0.371 4.890 4.320 0.332 0.000 0.274 507 K C -0.932 175.712 176.600 0.073 0.000 1.090 507 K CA 0.059 56.348 56.287 0.002 0.000 0.925 507 K CB 0.835 33.370 32.500 0.057 0.000 1.225 507 K HN 0.639 nan 8.250 nan 0.000 0.458 508 L N 5.380 126.556 121.223 -0.079 0.000 2.361 508 L HA 0.227 4.766 4.340 0.332 0.000 0.278 508 L C -1.916 175.011 176.870 0.094 0.000 1.113 508 L CA -2.097 52.665 54.840 -0.131 0.000 0.849 508 L CB -0.024 41.792 42.059 -0.405 0.000 1.155 508 L HN 0.297 nan 8.230 nan 0.000 0.452 509 P HA 0.062 nan 4.420 nan 0.000 0.269 509 P C -0.540 176.917 177.300 0.261 0.000 1.209 509 P CA -0.439 62.801 63.100 0.234 0.000 0.776 509 P CB 0.564 32.426 31.700 0.270 0.000 0.876 510 K N 2.086 122.550 120.400 0.106 0.000 2.382 510 K HA 0.242 4.761 4.320 0.332 0.000 0.275 510 K C -0.407 176.075 176.600 -0.196 0.000 1.009 510 K CA -0.037 56.202 56.287 -0.079 0.000 0.970 510 K CB 0.020 32.382 32.500 -0.229 0.000 0.934 510 K HN 0.389 nan 8.250 nan 0.000 0.479 511 I N 5.114 125.514 120.570 -0.284 0.000 2.378 511 I HA 0.297 4.666 4.170 0.332 0.000 0.291 511 I C -0.759 175.106 176.117 -0.420 0.000 0.992 511 I CA -0.737 60.417 61.300 -0.243 0.000 1.154 511 I CB 0.916 38.879 38.000 -0.062 0.000 1.315 511 I HN 0.471 nan 8.210 nan 0.000 0.448 512 F N 3.898 123.839 119.950 -0.016 0.000 2.556 512 F HA 0.505 5.230 4.527 0.330 0.000 0.327 512 F C 0.174 175.906 175.800 -0.113 0.000 1.059 512 F CA -0.689 57.300 58.000 -0.018 0.000 0.953 512 F CB 1.477 40.498 39.000 0.034 0.000 1.227 512 F HN 0.383 nan 8.300 nan 0.000 0.478 513 H N 1.395 120.328 119.070 -0.228 0.000 2.589 513 H HA 0.647 5.402 4.556 0.331 0.000 0.351 513 H C -1.586 173.510 175.328 -0.386 0.000 1.074 513 H CA -0.640 55.170 56.048 -0.397 0.000 1.203 513 H CB 1.918 31.180 29.762 -0.833 0.000 1.558 513 H HN 0.567 nan 8.280 nan 0.000 0.522 514 V N 2.910 122.422 119.914 -0.670 0.000 2.815 514 V HA 0.533 4.852 4.120 0.332 0.000 0.314 514 V C -0.446 175.166 176.094 -0.803 0.000 1.064 514 V CA -0.957 60.885 62.300 -0.762 0.000 0.952 514 V CB 1.935 33.035 31.823 -1.205 0.000 1.020 514 V HN 0.764 nan 8.190 nan 0.000 0.439 515 N N 1.835 120.113 118.700 -0.702 0.000 2.607 515 N HA 0.396 5.335 4.740 0.332 0.000 0.271 515 N C -0.366 174.871 175.510 -0.455 0.000 1.142 515 N CA -0.667 52.105 53.050 -0.462 0.000 0.810 515 N CB 0.946 39.354 38.487 -0.132 0.000 1.306 515 N HN 0.915 nan 8.380 nan 0.000 0.536 516 W N 1.824 122.767 121.300 -0.595 0.000 2.937 516 W HA 0.165 5.023 4.660 0.330 0.000 0.245 516 W C 0.113 176.104 176.519 -0.879 0.000 1.306 516 W CA -0.267 56.543 57.345 -0.891 0.000 1.470 516 W CB 0.143 28.769 29.460 -1.391 0.000 1.132 516 W HN 0.429 nan 8.180 nan 0.000 0.675 517 F N -0.244 119.733 119.950 0.046 0.000 2.735 517 F HA 0.296 5.021 4.527 0.331 0.000 0.308 517 F C 1.201 177.156 175.800 0.258 0.000 1.112 517 F CA -0.981 57.098 58.000 0.131 0.000 1.235 517 F CB -0.440 38.612 39.000 0.088 0.000 1.027 517 F HN -0.390 nan 8.300 nan 0.000 0.528 518 R N 2.131 122.770 120.500 0.231 0.000 2.623 518 R HA 0.231 4.770 4.340 0.332 0.000 0.271 518 R C -0.345 176.058 176.300 0.172 0.000 1.043 518 R CA 0.402 56.580 56.100 0.130 0.000 1.083 518 R CB 0.554 30.850 30.300 -0.006 0.000 0.974 518 R HN 0.151 nan 8.270 nan 0.000 0.436 519 K N 2.022 122.460 120.400 0.064 0.000 2.328 519 K HA 0.181 4.700 4.320 0.332 0.000 0.246 519 K C -0.721 175.860 176.600 -0.031 0.000 0.955 519 K CA -1.008 55.273 56.287 -0.009 0.000 0.817 519 K CB 1.485 33.920 32.500 -0.109 0.000 1.208 519 K HN 0.638 nan 8.250 nan 0.000 0.432 520 D N 0.749 121.129 120.400 -0.035 0.000 2.376 520 D HA 0.038 4.877 4.640 0.332 0.000 0.268 520 D C 0.399 176.674 176.300 -0.042 0.000 1.252 520 D CA -0.252 53.730 54.000 -0.031 0.000 1.041 520 D CB 0.389 41.179 40.800 -0.017 0.000 1.109 520 D HN 0.190 nan 8.370 nan 0.000 0.552 521 K N -1.258 119.123 120.400 -0.031 0.000 2.442 521 K HA 0.027 4.546 4.320 0.332 0.000 0.198 521 K C 0.740 177.319 176.600 -0.035 0.000 1.042 521 K CA 0.925 57.195 56.287 -0.030 0.000 0.958 521 K CB -0.361 32.128 32.500 -0.019 0.000 0.766 521 K HN 0.384 nan 8.250 nan 0.000 0.474 522 N N -1.009 117.666 118.700 -0.042 0.000 2.205 522 N HA 0.134 5.073 4.740 0.332 0.000 0.201 522 N C 0.334 175.801 175.510 -0.072 0.000 1.128 522 N CA 0.334 53.356 53.050 -0.046 0.000 0.867 522 N CB 1.399 39.865 38.487 -0.036 0.000 0.996 522 N HN 0.196 nan 8.380 nan 0.000 0.503 523 G N 1.203 109.945 108.800 -0.097 0.000 2.141 523 G HA2 -0.302 3.857 3.960 0.332 0.000 0.242 523 G HA3 -0.302 3.857 3.960 0.332 0.000 0.242 523 G C -0.045 174.706 174.900 -0.248 0.000 0.982 523 G CA -0.226 44.778 45.100 -0.159 0.000 0.662 523 G HN 0.301 nan 8.290 nan 0.000 0.527 524 K N 0.204 120.498 120.400 -0.176 0.000 2.201 524 K HA 0.577 5.096 4.320 0.332 0.000 0.278 524 K C 0.071 176.595 176.600 -0.127 0.000 1.027 524 K CA -0.933 55.255 56.287 -0.165 0.000 0.909 524 K CB 0.241 32.707 32.500 -0.057 0.000 1.062 524 K HN -0.059 nan 8.250 nan 0.000 0.465 525 F N 4.197 124.162 119.950 0.024 0.000 2.608 525 F HA -0.029 4.697 4.527 0.332 0.000 0.380 525 F C 1.327 177.138 175.800 0.020 0.000 1.083 525 F CA 0.233 58.251 58.000 0.030 0.000 1.266 525 F CB 0.235 39.248 39.000 0.022 0.000 1.076 525 F HN 0.503 nan 8.300 nan 0.000 0.574 526 L N 3.360 124.729 121.223 0.243 0.000 2.492 526 L HA 0.002 4.541 4.340 0.332 0.000 0.223 526 L C 0.208 177.216 176.870 0.229 0.000 1.132 526 L CA 0.355 55.294 54.840 0.165 0.000 0.850 526 L CB 0.052 42.175 42.059 0.108 0.000 0.966 526 L HN 0.573 nan 8.230 nan 0.000 0.454 527 W N 0.669 121.953 121.300 -0.027 0.000 2.683 527 W HA 0.268 5.127 4.660 0.331 0.000 0.329 527 W C -2.229 174.173 176.519 -0.195 0.000 1.037 527 W CA -1.718 55.556 57.345 -0.118 0.000 1.232 527 W CB 2.039 31.407 29.460 -0.154 0.000 1.390 527 W HN -0.147 nan 8.180 nan 0.000 0.465 528 P HA -0.018 nan 4.420 nan 0.000 0.218 528 P C 0.923 177.711 177.300 -0.854 0.000 1.149 528 P CA 2.209 64.887 63.100 -0.703 0.000 0.817 528 P CB 0.255 31.534 31.700 -0.702 0.000 0.785 529 G N -1.816 106.272 108.800 -1.185 0.000 2.601 529 G HA2 -0.256 3.903 3.960 0.332 0.000 0.252 529 G HA3 -0.256 3.903 3.960 0.332 0.000 0.252 529 G C 0.157 174.612 174.900 -0.743 0.000 1.294 529 G CA -0.217 44.320 45.100 -0.938 0.000 0.912 529 G HN 0.112 nan 8.290 nan 0.000 0.574 530 F N -2.020 117.639 119.950 -0.485 0.000 2.756 530 F HA -0.286 4.439 4.527 0.330 0.000 0.240 530 F C 2.705 178.308 175.800 -0.329 0.000 1.487 530 F CA 2.612 60.399 58.000 -0.356 0.000 1.859 530 F CB -1.826 37.021 39.000 -0.254 0.000 1.319 530 F HN 1.730 nan 8.300 nan 0.000 0.230 531 G N -0.197 108.595 108.800 -0.012 0.000 2.462 531 G HA2 -0.160 3.999 3.960 0.332 0.000 0.220 531 G HA3 -0.160 3.999 3.960 0.332 0.000 0.220 531 G C 1.131 175.940 174.900 -0.151 0.000 1.121 531 G CA 1.169 46.216 45.100 -0.089 0.000 0.758 531 G HN 0.566 nan 8.290 nan 0.000 0.559 532 E N 1.168 121.236 120.200 -0.219 0.000 2.418 532 E HA -0.042 4.507 4.350 0.332 0.000 0.197 532 E C 1.761 178.288 176.600 -0.122 0.000 1.026 532 E CA 0.149 56.393 56.400 -0.259 0.000 0.862 532 E CB -0.212 29.181 29.700 -0.512 0.000 0.799 532 E HN 0.334 nan 8.360 nan 0.000 0.518 533 N N 0.926 119.490 118.700 -0.226 0.000 2.453 533 N HA -0.101 4.838 4.740 0.332 0.000 0.183 533 N C 1.686 177.099 175.510 -0.161 0.000 1.041 533 N CA 0.942 53.808 53.050 -0.305 0.000 0.900 533 N CB -0.229 37.699 38.487 -0.931 0.000 0.961 533 N HN 0.184 nan 8.380 nan 0.000 0.443 534 S N 0.647 116.252 115.700 -0.159 0.000 2.440 534 S HA -0.103 4.566 4.470 0.332 0.000 0.238 534 S C 1.817 176.249 174.600 -0.281 0.000 1.010 534 S CA 0.652 58.724 58.200 -0.213 0.000 0.972 534 S CB -0.152 62.912 63.200 -0.226 0.000 0.774 534 S HN 0.292 nan 8.310 nan 0.000 0.501 535 R N 0.485 120.910 120.500 -0.124 0.000 2.090 535 R HA 0.118 4.657 4.340 0.332 0.000 0.228 535 R C 2.267 178.568 176.300 0.001 0.000 1.110 535 R CA 1.166 57.232 56.100 -0.058 0.000 0.973 535 R CB -0.610 29.767 30.300 0.129 0.000 0.869 535 R HN 0.344 nan 8.270 nan 0.000 0.440 536 V N 1.547 121.488 119.914 0.045 0.000 2.358 536 V HA -0.195 4.124 4.120 0.332 0.000 0.246 536 V C 2.250 178.383 176.094 0.064 0.000 1.047 536 V CA 1.563 63.907 62.300 0.072 0.000 1.035 536 V CB -0.402 31.520 31.823 0.165 0.000 0.658 536 V HN 0.282 nan 8.190 nan 0.000 0.452 537 L N 0.040 121.256 121.223 -0.012 0.000 2.131 537 L HA -0.208 4.331 4.340 0.332 0.000 0.210 537 L C 2.584 179.388 176.870 -0.110 0.000 1.092 537 L CA 1.986 56.794 54.840 -0.053 0.000 0.759 537 L CB -0.614 41.412 42.059 -0.054 0.000 0.903 537 L HN 0.488 nan 8.230 nan 0.000 0.435 538 E N -0.043 119.974 120.200 -0.305 0.000 2.077 538 E HA -0.296 4.253 4.350 0.332 0.000 0.193 538 E C 2.142 178.773 176.600 0.052 0.000 0.989 538 E CA 1.602 57.769 56.400 -0.387 0.000 0.800 538 E CB -0.263 29.108 29.700 -0.549 0.000 0.746 538 E HN 0.469 nan 8.360 nan 0.000 0.452 539 W N 0.910 122.159 121.300 -0.085 0.000 2.358 539 W HA -0.123 4.735 4.660 0.330 0.000 0.303 539 W C 2.053 178.565 176.519 -0.012 0.000 1.208 539 W CA 1.778 59.112 57.345 -0.019 0.000 1.274 539 W CB -0.118 29.320 29.460 -0.036 0.000 1.138 539 W HN 0.081 nan 8.180 nan 0.000 0.515 540 M N -1.071 118.458 119.600 -0.118 0.000 2.132 540 M HA -0.158 4.521 4.480 0.332 0.000 0.263 540 M C 2.124 178.368 176.300 -0.092 0.000 1.065 540 M CA 1.636 56.639 55.300 -0.494 0.000 1.122 540 M CB -1.018 31.093 32.600 -0.816 0.000 1.365 540 M HN 0.006 nan 8.290 nan 0.000 0.411 541 F N 1.160 121.064 119.950 -0.076 0.000 2.095 541 F HA -0.121 4.604 4.527 0.331 0.000 0.298 541 F C 2.267 178.087 175.800 0.032 0.000 1.104 541 F CA 1.883 59.921 58.000 0.064 0.000 1.232 541 F CB -0.908 38.231 39.000 0.232 0.000 0.987 541 F HN 0.085 nan 8.300 nan 0.000 0.475 542 G N 0.179 109.157 108.800 0.297 0.000 2.418 542 G HA2 -0.223 3.936 3.960 0.332 0.000 0.217 542 G HA3 -0.223 3.936 3.960 0.332 0.000 0.217 542 G C 1.862 176.729 174.900 -0.055 0.000 1.158 542 G CA 0.491 45.669 45.100 0.130 0.000 0.771 542 G HN 0.160 nan 8.290 nan 0.000 0.545 543 R N 0.293 120.649 120.500 -0.240 0.000 2.091 543 R HA 0.025 4.564 4.340 0.332 0.000 0.238 543 R C 2.603 178.860 176.300 -0.072 0.000 1.136 543 R CA 0.804 56.755 56.100 -0.249 0.000 0.959 543 R CB -0.900 29.143 30.300 -0.429 0.000 0.856 543 R HN 0.462 nan 8.270 nan 0.000 0.437 544 I N 0.892 121.465 120.570 0.005 0.000 2.264 544 I HA -0.229 4.139 4.170 0.332 0.000 0.248 544 I C 1.908 177.998 176.117 -0.046 0.000 1.111 544 I CA 1.298 62.593 61.300 -0.008 0.000 1.382 544 I CB -0.248 37.733 38.000 -0.032 0.000 1.060 544 I HN 0.190 nan 8.210 nan 0.000 0.418 545 E N 0.404 120.582 120.200 -0.038 0.000 2.511 545 E HA -0.014 4.534 4.350 0.332 0.000 0.196 545 E C 1.430 178.026 176.600 -0.007 0.000 1.066 545 E CA 0.526 56.922 56.400 -0.007 0.000 0.871 545 E CB 0.107 29.850 29.700 0.071 0.000 0.863 545 E HN 0.621 nan 8.360 nan 0.000 0.520 546 G N 2.437 111.217 108.800 -0.032 0.000 2.157 546 G HA2 -0.331 3.828 3.960 0.332 0.000 0.248 546 G HA3 -0.331 3.828 3.960 0.332 0.000 0.248 546 G C 0.117 174.991 174.900 -0.043 0.000 0.979 546 G CA 0.406 45.481 45.100 -0.041 0.000 0.650 546 G HN 0.406 nan 8.290 nan 0.000 0.529 547 E N 0.569 120.746 120.200 -0.038 0.000 2.442 547 E HA 0.254 4.803 4.350 0.332 0.000 0.262 547 E C -0.048 176.526 176.600 -0.043 0.000 1.004 547 E CA 0.003 56.388 56.400 -0.024 0.000 0.928 547 E CB 0.266 29.963 29.700 -0.005 0.000 0.937 547 E HN 0.113 nan 8.360 nan 0.000 0.446 548 D N 2.436 122.831 120.400 -0.009 0.000 2.845 548 D HA 0.045 4.884 4.640 0.332 0.000 0.235 548 D C -0.134 176.191 176.300 0.043 0.000 1.158 548 D CA 0.074 54.074 54.000 -0.000 0.000 0.990 548 D CB -0.300 40.506 40.800 0.010 0.000 1.094 548 D HN 0.322 nan 8.370 nan 0.000 0.486 549 S N -0.493 115.243 115.700 0.060 0.000 2.650 549 S HA 0.558 5.227 4.470 0.332 0.000 0.240 549 S C 0.515 175.344 174.600 0.382 0.000 1.007 549 S CA -0.576 57.743 58.200 0.200 0.000 0.984 549 S CB 0.693 64.019 63.200 0.209 0.000 0.910 549 S HN 0.263 nan 8.310 nan 0.000 0.509 550 A N 1.533 124.504 122.820 0.252 0.000 2.354 550 A HA 0.809 5.328 4.320 0.332 0.000 0.321 550 A C -0.554 177.181 177.584 0.252 0.000 1.125 550 A CA -0.869 51.386 52.037 0.364 0.000 0.799 550 A CB 1.492 20.672 19.000 0.300 0.000 1.293 550 A HN 0.392 nan 8.150 nan 0.000 0.452 551 K N 1.949 122.527 120.400 0.296 0.000 2.345 551 K HA 0.563 5.082 4.320 0.332 0.000 0.255 551 K C -1.349 175.438 176.600 0.310 0.000 0.934 551 K CA -0.566 55.858 56.287 0.229 0.000 0.801 551 K CB 1.344 33.903 32.500 0.098 0.000 1.137 551 K HN 0.698 nan 8.250 nan 0.000 0.424 552 L N 4.467 125.848 121.223 0.263 0.000 2.410 552 L HA 0.212 4.751 4.340 0.332 0.000 0.273 552 L C -0.075 176.770 176.870 -0.041 0.000 1.152 552 L CA 0.408 55.284 54.840 0.060 0.000 0.855 552 L CB 0.937 43.017 42.059 0.034 0.000 1.129 552 L HN 1.007 nan 8.230 nan 0.000 0.463 553 T N 0.717 115.188 114.554 -0.138 0.000 2.887 553 T HA 0.464 5.013 4.350 0.332 0.000 0.292 553 T C -2.149 172.403 174.700 -0.246 0.000 1.087 553 T CA -1.592 60.412 62.100 -0.161 0.000 1.009 553 T CB 1.768 70.545 68.868 -0.152 0.000 1.203 553 T HN 0.295 nan 8.240 nan 0.000 0.518 554 P HA 0.051 nan 4.420 nan 0.000 0.223 554 P C 1.300 178.359 177.300 -0.400 0.000 1.144 554 P CA 0.764 63.685 63.100 -0.297 0.000 0.783 554 P CB -0.259 31.282 31.700 -0.265 0.000 0.771 555 I N -6.445 113.821 120.570 -0.507 0.000 3.956 555 I HA 0.501 4.870 4.170 0.332 0.000 0.333 555 I C 0.748 176.672 176.117 -0.321 0.000 1.302 555 I CA -0.029 60.903 61.300 -0.612 0.000 1.122 555 I CB 0.257 37.531 38.000 -1.210 0.000 1.013 555 I HN -0.068 nan 8.210 nan 0.000 0.405 556 G N 0.594 109.256 108.800 -0.230 0.000 2.346 556 G HA2 0.027 4.186 3.960 0.332 0.000 0.294 556 G HA3 0.027 4.186 3.960 0.332 0.000 0.294 556 G C -1.562 173.288 174.900 -0.082 0.000 1.294 556 G CA -0.968 44.109 45.100 -0.039 0.000 0.962 556 G HN 0.152 nan 8.290 nan 0.000 0.508 557 Y N 0.105 120.573 120.300 0.280 0.000 2.335 557 Y HA 0.466 5.214 4.550 0.331 0.000 0.331 557 Y C 1.309 177.449 175.900 0.401 0.000 1.094 557 Y CA 0.111 58.394 58.100 0.304 0.000 1.253 557 Y CB 1.418 40.083 38.460 0.340 0.000 1.203 557 Y HN 0.676 nan 8.280 nan 0.000 0.508 558 V N 1.279 121.420 119.914 0.378 0.000 2.994 558 V HA 0.702 5.021 4.120 0.332 0.000 0.318 558 V C -2.858 173.186 176.094 -0.083 0.000 1.085 558 V CA -3.530 58.831 62.300 0.102 0.000 0.998 558 V CB 1.723 33.565 31.823 0.031 0.000 1.063 558 V HN 0.445 nan 8.190 nan 0.000 0.447 559 P HA 0.214 nan 4.420 nan 0.000 0.268 559 P C -0.471 176.647 177.300 -0.302 0.000 1.205 559 P CA -0.046 62.676 63.100 -0.629 0.000 0.771 559 P CB 0.254 31.220 31.700 -1.223 0.000 0.858 560 K N 1.440 121.824 120.400 -0.027 0.000 2.344 560 K HA -0.026 4.493 4.320 0.332 0.000 0.260 560 K C 0.614 177.143 176.600 -0.118 0.000 0.988 560 K CA 0.001 56.268 56.287 -0.034 0.000 0.909 560 K CB 0.195 32.728 32.500 0.055 0.000 0.968 560 K HN 0.497 nan 8.250 nan 0.000 0.505 561 E N 1.634 121.782 120.200 -0.086 0.000 2.480 561 E HA -0.200 4.349 4.350 0.332 0.000 0.258 561 E C -0.557 176.019 176.600 -0.040 0.000 0.984 561 E CA 0.423 56.778 56.400 -0.076 0.000 0.930 561 E CB 0.146 29.823 29.700 -0.038 0.000 0.936 561 E HN 0.516 nan 8.360 nan 0.000 0.466 562 D N 1.675 122.050 120.400 -0.043 0.000 2.946 562 D HA -0.279 4.560 4.640 0.332 0.000 0.202 562 D C 0.792 177.101 176.300 0.015 0.000 1.068 562 D CA 1.053 55.050 54.000 -0.005 0.000 1.011 562 D CB -1.221 39.587 40.800 0.012 0.000 1.105 562 D HN 0.522 nan 8.370 nan 0.000 0.425 563 A N -0.138 122.684 122.820 0.002 0.000 1.968 563 A HA 0.057 4.576 4.320 0.332 0.000 0.217 563 A C 1.152 178.795 177.584 0.098 0.000 1.169 563 A CA 0.589 52.676 52.037 0.085 0.000 0.638 563 A CB 0.097 19.187 19.000 0.151 0.000 0.812 563 A HN 0.186 nan 8.150 nan 0.000 0.446 564 L N 1.009 122.224 121.223 -0.013 0.000 2.319 564 L HA 0.240 4.779 4.340 0.332 0.000 0.280 564 L C 0.124 177.031 176.870 0.061 0.000 1.099 564 L CA -0.395 54.451 54.840 0.010 0.000 0.828 564 L CB 0.514 42.532 42.059 -0.069 0.000 1.150 564 L HN 0.287 nan 8.230 nan 0.000 0.442 565 N N 4.977 123.724 118.700 0.079 0.000 2.400 565 N HA 0.050 4.989 4.740 0.332 0.000 0.267 565 N C 0.124 175.681 175.510 0.078 0.000 1.208 565 N CA 0.330 53.421 53.050 0.069 0.000 0.951 565 N CB 0.262 38.782 38.487 0.055 0.000 1.227 565 N HN 0.645 nan 8.380 nan 0.000 0.488 566 L N 2.284 123.552 121.223 0.074 0.000 2.728 566 L HA 0.212 4.751 4.340 0.332 0.000 0.238 566 L C 0.548 177.436 176.870 0.030 0.000 1.143 566 L CA -0.177 54.709 54.840 0.076 0.000 0.937 566 L CB -0.031 42.089 42.059 0.102 0.000 1.225 566 L HN 0.243 nan 8.230 nan 0.000 0.507 567 K N 0.833 121.247 120.400 0.025 0.000 2.401 567 K HA 0.301 4.820 4.320 0.332 0.000 0.278 567 K C 1.209 177.805 176.600 -0.007 0.000 1.018 567 K CA 0.693 56.987 56.287 0.012 0.000 0.981 567 K CB 0.578 33.090 32.500 0.019 0.000 0.933 567 K HN 0.204 nan 8.250 nan 0.000 0.477 568 G N 1.898 110.689 108.800 -0.015 0.000 2.225 568 G HA2 -0.273 3.886 3.960 0.332 0.000 0.254 568 G HA3 -0.273 3.886 3.960 0.332 0.000 0.254 568 G C 0.148 175.016 174.900 -0.053 0.000 0.988 568 G CA -0.167 44.915 45.100 -0.030 0.000 0.625 568 G HN 0.433 nan 8.290 nan 0.000 0.527 569 L N 0.530 121.717 121.223 -0.060 0.000 2.439 569 L HA 0.649 5.188 4.340 0.332 0.000 0.259 569 L C 1.808 178.647 176.870 -0.051 0.000 1.129 569 L CA -0.351 54.436 54.840 -0.088 0.000 0.803 569 L CB 0.675 42.661 42.059 -0.122 0.000 1.161 569 L HN 0.220 nan 8.230 nan 0.000 0.462 570 G N -0.565 108.202 108.800 -0.054 0.000 2.679 570 G HA2 -0.041 4.118 3.960 0.332 0.000 0.202 570 G HA3 -0.041 4.118 3.960 0.332 0.000 0.202 570 G C -0.686 174.208 174.900 -0.010 0.000 1.566 570 G CA -0.144 44.939 45.100 -0.029 0.000 1.074 570 G HN 0.609 nan 8.290 nan 0.000 0.564 571 D N 0.045 120.444 120.400 -0.001 0.000 2.468 571 D HA 0.340 5.179 4.640 0.332 0.000 0.218 571 D C 0.071 176.387 176.300 0.027 0.000 1.155 571 D CA -0.273 53.737 54.000 0.016 0.000 0.924 571 D CB 0.440 41.250 40.800 0.016 0.000 1.029 571 D HN -0.002 nan 8.370 nan 0.000 0.515 572 V N 4.286 124.229 119.914 0.047 0.000 2.508 572 V HA 0.055 4.374 4.120 0.332 0.000 0.281 572 V C 1.002 177.157 176.094 0.101 0.000 1.041 572 V CA -0.712 61.639 62.300 0.085 0.000 1.016 572 V CB 0.923 32.836 31.823 0.150 0.000 0.984 572 V HN 0.474 nan 8.190 nan 0.000 0.478 573 N N 4.582 123.338 118.700 0.092 0.000 2.605 573 N HA -0.011 4.928 4.740 0.332 0.000 0.282 573 N C 0.776 176.352 175.510 0.110 0.000 1.206 573 N CA 0.311 53.410 53.050 0.082 0.000 1.074 573 N CB 0.845 39.367 38.487 0.058 0.000 1.434 573 N HN 0.529 nan 8.380 nan 0.000 0.506 574 V N 3.110 123.104 119.914 0.134 0.000 2.626 574 V HA -0.134 4.185 4.120 0.332 0.000 0.252 574 V C 1.724 177.944 176.094 0.210 0.000 1.067 574 V CA 1.705 64.128 62.300 0.206 0.000 1.081 574 V CB -0.090 31.837 31.823 0.173 0.000 0.686 574 V HN 0.600 nan 8.190 nan 0.000 0.468 575 E N -0.555 119.719 120.200 0.123 0.000 2.107 575 E HA -0.186 4.363 4.350 0.332 0.000 0.191 575 E C 2.071 178.721 176.600 0.083 0.000 0.982 575 E CA 1.245 57.706 56.400 0.101 0.000 0.809 575 E CB -0.042 29.696 29.700 0.062 0.000 0.756 575 E HN 0.708 nan 8.360 nan 0.000 0.459 576 E N 0.939 121.174 120.200 0.057 0.000 2.107 576 E HA -0.064 4.485 4.350 0.332 0.000 0.191 576 E C 2.290 178.881 176.600 -0.015 0.000 0.982 576 E CA 0.267 56.679 56.400 0.020 0.000 0.809 576 E CB 0.036 29.743 29.700 0.013 0.000 0.756 576 E HN 0.175 nan 8.360 nan 0.000 0.459 577 L N -0.218 120.992 121.223 -0.022 0.000 2.042 577 L HA -0.165 4.374 4.340 0.332 0.000 0.210 577 L C 1.480 178.116 176.870 -0.390 0.000 1.076 577 L CA 1.225 55.947 54.840 -0.196 0.000 0.749 577 L CB -0.015 41.913 42.059 -0.218 0.000 0.893 577 L HN 0.131 nan 8.230 nan 0.000 0.432 578 F N -0.763 119.165 119.950 -0.037 0.000 2.653 578 F HA 0.252 4.978 4.527 0.332 0.000 0.304 578 F C 1.472 177.257 175.800 -0.024 0.000 1.092 578 F CA -0.501 57.472 58.000 -0.044 0.000 1.279 578 F CB -0.183 38.775 39.000 -0.071 0.000 1.044 578 F HN -0.125 nan 8.300 nan 0.000 0.564 579 G N 1.670 110.525 108.800 0.093 0.000 2.340 579 G HA2 0.332 4.491 3.960 0.332 0.000 0.245 579 G HA3 0.332 4.491 3.960 0.332 0.000 0.245 579 G C -0.376 174.569 174.900 0.075 0.000 1.294 579 G CA -0.082 45.058 45.100 0.067 0.000 0.896 579 G HN 0.230 nan 8.290 nan 0.000 0.522 580 I N 1.862 122.484 120.570 0.086 0.000 2.411 580 I HA 0.224 4.593 4.170 0.332 0.000 0.284 580 I C 0.273 176.489 176.117 0.165 0.000 1.012 580 I CA -0.490 60.888 61.300 0.130 0.000 1.119 580 I CB 1.945 39.924 38.000 -0.035 0.000 1.261 580 I HN 0.481 nan 8.210 nan 0.000 0.448 581 S N 5.792 121.667 115.700 0.292 0.000 2.462 581 S HA 0.278 4.947 4.470 0.332 0.000 0.294 581 S C 0.985 175.790 174.600 0.342 0.000 1.144 581 S CA -0.586 57.763 58.200 0.249 0.000 1.088 581 S CB 1.537 64.856 63.200 0.198 0.000 1.009 581 S HN 0.753 nan 8.310 nan 0.000 0.484 582 K N 2.695 123.219 120.400 0.207 0.000 2.026 582 K HA -0.122 4.397 4.320 0.332 0.000 0.208 582 K C 1.650 178.362 176.600 0.186 0.000 1.048 582 K CA 1.860 58.256 56.287 0.183 0.000 0.929 582 K CB -0.209 32.351 32.500 0.099 0.000 0.713 582 K HN 0.813 nan 8.250 nan 0.000 0.439 583 E N 0.381 120.670 120.200 0.147 0.000 2.110 583 E HA -0.229 4.320 4.350 0.332 0.000 0.193 583 E C 1.984 178.642 176.600 0.096 0.000 0.988 583 E CA 1.089 57.550 56.400 0.102 0.000 0.804 583 E CB -0.790 28.956 29.700 0.077 0.000 0.745 583 E HN 0.410 nan 8.360 nan 0.000 0.458 584 F N 0.318 120.270 119.950 0.005 0.000 2.113 584 F HA -0.097 4.628 4.527 0.331 0.000 0.297 584 F C 1.874 177.542 175.800 -0.219 0.000 1.103 584 F CA 1.377 59.301 58.000 -0.127 0.000 1.248 584 F CB -0.276 38.617 39.000 -0.178 0.000 0.999 584 F HN -0.075 nan 8.300 nan 0.000 0.475 585 W N 1.035 122.402 121.300 0.111 0.000 2.476 585 W HA -0.006 4.852 4.660 0.330 0.000 0.281 585 W C 2.352 178.834 176.519 -0.061 0.000 1.230 585 W CA 1.110 58.465 57.345 0.017 0.000 1.287 585 W CB -0.454 29.061 29.460 0.091 0.000 1.108 585 W HN 0.028 nan 8.180 nan 0.000 0.567 586 E N 0.566 120.841 120.200 0.126 0.000 2.058 586 E HA -0.256 4.293 4.350 0.332 0.000 0.194 586 E C 1.901 178.473 176.600 -0.047 0.000 0.997 586 E CA 1.602 58.028 56.400 0.043 0.000 0.801 586 E CB -0.211 29.509 29.700 0.032 0.000 0.746 586 E HN 0.268 nan 8.360 nan 0.000 0.450 587 K N 0.394 120.703 120.400 -0.152 0.000 2.097 587 K HA -0.185 4.334 4.320 0.332 0.000 0.205 587 K C 2.162 178.587 176.600 -0.292 0.000 1.050 587 K CA 1.213 57.365 56.287 -0.225 0.000 0.938 587 K CB -0.019 32.304 32.500 -0.295 0.000 0.718 587 K HN -0.042 nan 8.250 nan 0.000 0.442 588 E N 0.884 120.804 120.200 -0.467 0.000 2.031 588 E HA -0.160 4.389 4.350 0.332 0.000 0.193 588 E C 1.829 178.355 176.600 -0.123 0.000 0.994 588 E CA 1.011 57.129 56.400 -0.470 0.000 0.800 588 E CB -0.325 28.871 29.700 -0.841 0.000 0.752 588 E HN 0.034 nan 8.360 nan 0.000 0.447 589 V N 0.606 120.533 119.914 0.022 0.000 2.407 589 V HA -0.243 4.076 4.120 0.332 0.000 0.248 589 V C 1.876 178.016 176.094 0.076 0.000 1.055 589 V CA 2.276 64.653 62.300 0.128 0.000 1.049 589 V CB -0.331 31.593 31.823 0.167 0.000 0.662 589 V HN 0.337 nan 8.190 nan 0.000 0.455 590 E N -0.058 120.153 120.200 0.019 0.000 2.058 590 E HA -0.305 4.244 4.350 0.332 0.000 0.194 590 E C 2.050 178.665 176.600 0.026 0.000 0.997 590 E CA 1.762 58.170 56.400 0.013 0.000 0.801 590 E CB -0.126 29.564 29.700 -0.017 0.000 0.746 590 E HN 0.861 nan 8.360 nan 0.000 0.450 591 E N 1.155 121.359 120.200 0.006 0.000 2.158 591 E HA -0.114 4.435 4.350 0.332 0.000 0.191 591 E C 1.830 178.507 176.600 0.129 0.000 0.982 591 E CA 0.829 57.254 56.400 0.043 0.000 0.823 591 E CB -0.416 29.284 29.700 -0.001 0.000 0.766 591 E HN 0.282 nan 8.360 nan 0.000 0.468 592 I N 1.205 121.861 120.570 0.144 0.000 2.179 592 I HA -0.235 4.134 4.170 0.332 0.000 0.242 592 I C 2.208 178.448 176.117 0.204 0.000 1.088 592 I CA 1.636 63.069 61.300 0.221 0.000 1.357 592 I CB -0.473 37.668 38.000 0.234 0.000 1.051 592 I HN 0.198 nan 8.210 nan 0.000 0.409 593 D N 1.346 121.842 120.400 0.160 0.000 2.106 593 D HA -0.226 4.613 4.640 0.332 0.000 0.191 593 D C 2.137 178.481 176.300 0.074 0.000 0.997 593 D CA 1.644 55.712 54.000 0.114 0.000 0.834 593 D CB 0.011 40.858 40.800 0.078 0.000 0.956 593 D HN 0.027 nan 8.370 nan 0.000 0.448 594 K N -0.623 119.817 120.400 0.067 0.000 2.057 594 K HA -0.185 4.334 4.320 0.332 0.000 0.207 594 K C 2.288 178.907 176.600 0.031 0.000 1.049 594 K CA 0.922 57.233 56.287 0.040 0.000 0.931 594 K CB -0.783 31.740 32.500 0.038 0.000 0.714 594 K HN 0.391 nan 8.250 nan 0.000 0.440 595 Y N 1.842 122.093 120.300 -0.082 0.000 2.114 595 Y HA -0.184 4.563 4.550 0.328 0.000 0.284 595 Y C 2.092 177.911 175.900 -0.135 0.000 1.143 595 Y CA 1.439 59.428 58.100 -0.186 0.000 1.135 595 Y CB -0.422 37.745 38.460 -0.488 0.000 0.980 595 Y HN -0.090 nan 8.280 nan 0.000 0.499 596 L N 0.214 121.389 121.223 -0.081 0.000 2.046 596 L HA -0.202 4.337 4.340 0.332 0.000 0.208 596 L C 2.608 179.408 176.870 -0.117 0.000 1.077 596 L CA 1.850 56.633 54.840 -0.096 0.000 0.747 596 L CB -0.671 41.442 42.059 0.090 0.000 0.896 596 L HN 0.370 nan 8.230 nan 0.000 0.432 597 E N 0.559 120.717 120.200 -0.069 0.000 2.023 597 E HA -0.312 4.237 4.350 0.332 0.000 0.196 597 E C 1.755 178.296 176.600 -0.099 0.000 1.003 597 E CA 2.049 58.412 56.400 -0.062 0.000 0.809 597 E CB 0.007 29.687 29.700 -0.033 0.000 0.755 597 E HN 0.430 nan 8.360 nan 0.000 0.449 598 D N -0.404 119.920 120.400 -0.126 0.000 2.084 598 D HA -0.190 4.649 4.640 0.332 0.000 0.194 598 D C 2.048 178.237 176.300 -0.185 0.000 0.990 598 D CA 1.479 55.398 54.000 -0.135 0.000 0.826 598 D CB -0.008 40.721 40.800 -0.120 0.000 0.971 598 D HN 0.114 nan 8.370 nan 0.000 0.453 599 Q N -0.589 119.016 119.800 -0.325 0.000 2.269 599 Q HA 0.054 4.593 4.340 0.332 0.000 0.201 599 Q C 2.223 178.098 176.000 -0.208 0.000 0.946 599 Q CA 0.587 56.183 55.803 -0.345 0.000 0.877 599 Q CB 0.609 28.924 28.738 -0.705 0.000 0.963 599 Q HN 0.340 nan 8.270 nan 0.000 0.472 600 V N -0.049 119.757 119.914 -0.179 0.000 2.922 600 V HA 0.024 4.343 4.120 0.332 0.000 0.242 600 V C 1.318 177.355 176.094 -0.093 0.000 1.094 600 V CA 0.669 62.908 62.300 -0.102 0.000 1.106 600 V CB -0.509 31.261 31.823 -0.089 0.000 0.799 600 V HN 0.432 nan 8.190 nan 0.000 0.474 601 N N 0.208 118.855 118.700 -0.090 0.000 1.241 601 N HA -0.426 4.513 4.740 0.332 0.000 0.135 601 N C 1.370 176.849 175.510 -0.052 0.000 0.723 601 N CA 1.386 54.395 53.050 -0.067 0.000 0.950 601 N CB -1.265 37.181 38.487 -0.069 0.000 1.215 601 N HN 0.403 nan 8.380 nan 0.000 0.520 602 A N -0.353 122.439 122.820 -0.048 0.000 2.121 602 A HA -0.073 4.446 4.320 0.332 0.000 0.218 602 A C 1.106 178.670 177.584 -0.034 0.000 1.154 602 A CA 1.914 53.930 52.037 -0.035 0.000 0.679 602 A CB -0.120 18.859 19.000 -0.035 0.000 0.795 602 A HN 0.590 nan 8.150 nan 0.000 0.458 603 D N -0.861 119.508 120.400 -0.052 0.000 2.340 603 D HA 0.129 4.968 4.640 0.332 0.000 0.217 603 D C -0.116 176.139 176.300 -0.075 0.000 1.081 603 D CA -0.167 53.798 54.000 -0.058 0.000 0.842 603 D CB 0.128 40.885 40.800 -0.072 0.000 0.934 603 D HN 0.296 nan 8.370 nan 0.000 0.511 604 L N 2.756 123.940 121.223 -0.065 0.000 2.530 604 L HA 0.193 4.732 4.340 0.332 0.000 0.273 604 L C -2.325 174.538 176.870 -0.012 0.000 1.141 604 L CA -1.202 53.600 54.840 -0.063 0.000 0.905 604 L CB 0.287 42.322 42.059 -0.041 0.000 1.202 604 L HN -0.270 nan 8.230 nan 0.000 0.473 605 P HA -0.036 nan 4.420 nan 0.000 0.269 605 P C 0.121 177.491 177.300 0.118 0.000 1.209 605 P CA 0.094 63.235 63.100 0.069 0.000 0.776 605 P CB 0.309 32.053 31.700 0.073 0.000 0.876 606 Y N 2.785 123.098 120.300 0.022 0.000 2.096 606 Y HA -0.323 4.425 4.550 0.331 0.000 0.278 606 Y C 1.894 177.819 175.900 0.041 0.000 1.192 606 Y CA 2.000 60.115 58.100 0.026 0.000 1.143 606 Y CB -0.276 38.198 38.460 0.024 0.000 0.963 606 Y HN 0.463 nan 8.280 nan 0.000 0.505 607 E N -0.645 119.703 120.200 0.247 0.000 2.265 607 E HA -0.190 4.359 4.350 0.332 0.000 0.196 607 E C 1.923 178.581 176.600 0.097 0.000 0.996 607 E CA 0.961 57.465 56.400 0.174 0.000 0.832 607 E CB -0.060 29.773 29.700 0.222 0.000 0.756 607 E HN 0.484 nan 8.360 nan 0.000 0.491 608 I N 1.151 121.780 120.570 0.099 0.000 2.400 608 I HA -0.147 4.222 4.170 0.332 0.000 0.248 608 I C 2.032 178.196 176.117 0.077 0.000 1.109 608 I CA 1.114 62.498 61.300 0.140 0.000 1.425 608 I CB -1.106 36.985 38.000 0.152 0.000 1.094 608 I HN 0.104 nan 8.210 nan 0.000 0.425 609 E N 0.834 121.031 120.200 -0.006 0.000 2.097 609 E HA -0.271 4.278 4.350 0.332 0.000 0.196 609 E C 2.298 178.808 176.600 -0.150 0.000 1.000 609 E CA 1.303 57.655 56.400 -0.080 0.000 0.804 609 E CB -0.284 29.329 29.700 -0.146 0.000 0.740 609 E HN 0.368 nan 8.360 nan 0.000 0.454 610 R N 0.850 121.231 120.500 -0.199 0.000 2.081 610 R HA -0.169 4.370 4.340 0.332 0.000 0.235 610 R C 2.094 178.290 176.300 -0.173 0.000 1.131 610 R CA 1.281 57.265 56.100 -0.193 0.000 0.960 610 R CB 0.122 30.334 30.300 -0.147 0.000 0.856 610 R HN 0.053 nan 8.270 nan 0.000 0.436 611 E N 0.579 120.674 120.200 -0.177 0.000 2.106 611 E HA -0.177 4.372 4.350 0.332 0.000 0.192 611 E C 1.903 178.138 176.600 -0.608 0.000 0.984 611 E CA 0.732 56.931 56.400 -0.335 0.000 0.806 611 E CB -0.238 29.300 29.700 -0.270 0.000 0.750 611 E HN 0.255 nan 8.360 nan 0.000 0.458 612 L N 1.267 122.197 121.223 -0.487 0.000 2.027 612 L HA -0.136 4.403 4.340 0.332 0.000 0.206 612 L C 2.277 179.028 176.870 -0.199 0.000 1.074 612 L CA 1.638 56.275 54.840 -0.338 0.000 0.745 612 L CB -0.199 41.859 42.059 -0.001 0.000 0.898 612 L HN -0.067 nan 8.230 nan 0.000 0.433 613 R N -0.407 119.996 120.500 -0.162 0.000 2.083 613 R HA -0.163 4.376 4.340 0.332 0.000 0.237 613 R C 2.270 178.483 176.300 -0.144 0.000 1.137 613 R CA 1.444 57.468 56.100 -0.127 0.000 0.951 613 R CB -0.837 29.389 30.300 -0.122 0.000 0.851 613 R HN 0.537 nan 8.270 nan 0.000 0.434 614 A N 1.255 123.962 122.820 -0.189 0.000 1.908 614 A HA -0.168 4.351 4.320 0.332 0.000 0.218 614 A C 2.101 179.560 177.584 -0.210 0.000 1.181 614 A CA 1.191 53.113 52.037 -0.192 0.000 0.627 614 A CB -0.445 18.426 19.000 -0.215 0.000 0.818 614 A HN 0.249 nan 8.150 nan 0.000 0.445 615 L N -0.104 120.964 121.223 -0.259 0.000 2.056 615 L HA -0.076 4.463 4.340 0.332 0.000 0.207 615 L C 2.247 179.053 176.870 -0.106 0.000 1.078 615 L CA 2.595 57.308 54.840 -0.211 0.000 0.749 615 L CB -0.639 41.290 42.059 -0.217 0.000 0.901 615 L HN 0.446 nan 8.230 nan 0.000 0.433 616 K N -0.920 119.433 120.400 -0.078 0.000 2.044 616 K HA -0.302 4.217 4.320 0.332 0.000 0.210 616 K C 2.262 178.836 176.600 -0.044 0.000 1.049 616 K CA 2.003 58.270 56.287 -0.032 0.000 0.927 616 K CB -0.161 32.322 32.500 -0.028 0.000 0.713 616 K HN 0.387 nan 8.250 nan 0.000 0.443 617 Q N 0.769 120.527 119.800 -0.070 0.000 2.084 617 Q HA -0.105 4.434 4.340 0.332 0.000 0.202 617 Q C 1.914 177.872 176.000 -0.070 0.000 0.978 617 Q CA 1.632 57.396 55.803 -0.065 0.000 0.844 617 Q CB 0.041 28.736 28.738 -0.073 0.000 0.898 617 Q HN 0.265 nan 8.270 nan 0.000 0.426 618 R N -0.408 120.033 120.500 -0.098 0.000 2.081 618 R HA -0.066 4.473 4.340 0.332 0.000 0.235 618 R C 2.354 178.602 176.300 -0.086 0.000 1.131 618 R CA 1.576 57.610 56.100 -0.110 0.000 0.960 618 R CB -0.441 29.760 30.300 -0.166 0.000 0.856 618 R HN 0.349 nan 8.270 nan 0.000 0.436 619 I N 0.890 121.419 120.570 -0.068 0.000 2.226 619 I HA -0.288 4.081 4.170 0.332 0.000 0.245 619 I C 2.578 178.692 176.117 -0.005 0.000 1.100 619 I CA 1.585 62.872 61.300 -0.021 0.000 1.374 619 I CB -0.432 37.594 38.000 0.042 0.000 1.057 619 I HN 0.215 nan 8.210 nan 0.000 0.413 620 S N 0.211 115.904 115.700 -0.011 0.000 2.469 620 S HA -0.177 4.492 4.470 0.332 0.000 0.238 620 S C 1.830 176.423 174.600 -0.011 0.000 0.998 620 S CA 0.852 59.048 58.200 -0.007 0.000 0.957 620 S CB -0.204 62.989 63.200 -0.012 0.000 0.764 620 S HN 0.435 nan 8.310 nan 0.000 0.514 621 Q N 0.859 120.646 119.800 -0.023 0.000 2.408 621 Q HA 0.298 4.837 4.340 0.332 0.000 0.205 621 Q C 1.196 177.184 176.000 -0.019 0.000 0.919 621 Q CA 0.214 56.003 55.803 -0.023 0.000 0.932 621 Q CB -0.151 28.567 28.738 -0.033 0.000 1.058 621 Q HN 0.862 nan 8.270 nan 0.000 0.517 622 M N 0.000 119.590 119.600 -0.017 0.000 2.572 622 M HA 0.000 4.679 4.480 0.332 0.000 0.227 622 M CA 0.000 55.294 55.300 -0.011 0.000 0.988 622 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411