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 1cxl_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GTcTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWISQPV ENIYSIINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTIADFQN LIAAAHAKNI KVIIDFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSTTENGI YKNLYDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMDA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGQWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV IQKLAPLRKS DATA SEQUENCE NPAIAYGSTQ ERWINNDVLI YERKFGSNVA VVAVNRNLNA PASISGLVTS DATA SEQUENCE LPQGSYNDVL GGLLNGNTLS VGSGGAASNF TLAAGGTAVW QYTAATATPT DATA SEQUENCE IGHVGPMMAK PGVTITIDGR GFGSSKGTVY FGTTAVSGAD ITSWEDTQIK DATA SEQUENCE VKIPAVAGGN YNIKVANAAG TASNVYDNFE VLSGDQVSVR FVVNNATTAL DATA SEQUENCE GQNVYLTGSV SELGNWDPAK AIGPMYNQVV YQYPNWYYDV SVPAGKTIEF DATA SEQUENCE KFLKKQGSTV TWEGGSNHTF TAPSSGTATI NVNWQP 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.568 177.584 -0.027 0.000 1.274 1 A CA 0.000 52.022 52.037 -0.026 0.000 0.836 1 A CB 0.000 18.974 19.000 -0.042 0.000 0.831 2 P HA 0.284 nan 4.420 nan 0.000 0.278 2 P C 0.047 177.316 177.300 -0.051 0.000 1.258 2 P CA 0.037 63.115 63.100 -0.038 0.000 0.811 2 P CB 0.661 32.335 31.700 -0.044 0.000 1.063 3 D N 0.113 120.489 120.400 -0.040 0.000 2.190 3 D HA -0.179 4.460 4.640 -0.000 0.000 0.200 3 D C 1.083 177.333 176.300 -0.084 0.000 0.992 3 D CA 2.153 56.130 54.000 -0.038 0.000 0.854 3 D CB -1.569 39.243 40.800 0.020 0.000 0.936 3 D HN 0.452 nan 8.370 nan 0.000 0.462 4 T N -2.691 111.805 114.554 -0.098 0.000 3.148 4 T HA 0.040 4.390 4.350 -0.000 0.000 0.253 4 T C 1.047 175.656 174.700 -0.152 0.000 1.134 4 T CA 0.062 62.077 62.100 -0.141 0.000 1.051 4 T CB -0.283 68.507 68.868 -0.130 0.000 0.959 4 T HN 0.174 nan 8.240 nan 0.000 0.525 5 S N 0.429 116.050 115.700 -0.132 0.000 2.568 5 S HA 0.151 4.621 4.470 -0.000 0.000 0.282 5 S C 1.457 175.949 174.600 -0.179 0.000 1.338 5 S CA -0.345 57.774 58.200 -0.134 0.000 1.045 5 S CB 1.158 64.293 63.200 -0.107 0.000 0.873 5 S HN 0.227 nan 8.310 nan 0.000 0.516 6 V N 4.383 124.191 119.914 -0.176 0.000 2.720 6 V HA -0.070 4.050 4.120 -0.000 0.000 0.256 6 V C 2.257 178.194 176.094 -0.261 0.000 1.082 6 V CA 2.493 64.663 62.300 -0.217 0.000 1.101 6 V CB -0.877 30.840 31.823 -0.176 0.000 0.693 6 V HN 1.042 nan 8.190 nan 0.000 0.479 7 S N 0.040 115.610 115.700 -0.217 0.000 2.561 7 S HA -0.023 4.447 4.470 -0.000 0.000 0.225 7 S C 1.121 175.634 174.600 -0.145 0.000 0.977 7 S CA 0.473 58.555 58.200 -0.197 0.000 0.926 7 S CB -0.716 62.398 63.200 -0.143 0.000 0.769 7 S HN 0.627 nan 8.310 nan 0.000 0.533 8 N N 2.405 121.009 118.700 -0.160 0.000 2.466 8 N HA 0.173 4.913 4.740 -0.000 0.000 0.263 8 N C 0.322 175.766 175.510 -0.110 0.000 1.178 8 N CA 0.025 53.000 53.050 -0.125 0.000 0.983 8 N CB 0.429 38.826 38.487 -0.149 0.000 1.331 8 N HN 0.450 nan 8.380 nan 0.000 0.500 9 K N 1.805 122.212 120.400 0.012 0.000 2.459 9 K HA -0.006 4.314 4.320 -0.000 0.000 0.193 9 K C 0.701 177.494 176.600 0.322 0.000 1.030 9 K CA 0.614 57.007 56.287 0.177 0.000 1.026 9 K CB 0.466 33.071 32.500 0.175 0.000 0.809 9 K HN 0.409 nan 8.250 nan 0.000 0.504 10 Q N 0.191 120.119 119.800 0.213 0.000 2.384 10 Q HA 0.080 4.420 4.340 -0.000 0.000 0.207 10 Q C -0.262 175.934 176.000 0.326 0.000 0.904 10 Q CA 0.279 56.261 55.803 0.299 0.000 0.933 10 Q CB 0.458 29.326 28.738 0.217 0.000 1.077 10 Q HN 0.064 nan 8.270 nan 0.000 0.522 11 N N -0.705 118.046 118.700 0.085 0.000 2.430 11 N HA 0.184 4.924 4.740 -0.000 0.000 0.290 11 N C -1.371 173.917 175.510 -0.369 0.000 1.063 11 N CA -0.329 52.556 53.050 -0.275 0.000 0.883 11 N CB 0.603 38.876 38.487 -0.356 0.000 1.465 11 N HN -0.126 nan 8.380 nan 0.000 0.493 12 F N 1.076 120.538 119.950 -0.813 0.000 2.688 12 F HA 0.296 4.823 4.527 0.000 0.000 0.310 12 F C 1.864 177.335 175.800 -0.548 0.000 1.098 12 F CA -0.115 57.477 58.000 -0.681 0.000 1.228 12 F CB 0.408 38.862 39.000 -0.909 0.000 1.042 12 F HN 0.428 nan 8.300 nan 0.000 0.557 13 S N -0.578 114.878 115.700 -0.407 0.000 2.442 13 S HA -0.168 4.302 4.470 -0.000 0.000 0.236 13 S C 2.156 176.524 174.600 -0.386 0.000 1.007 13 S CA 1.819 59.813 58.200 -0.343 0.000 0.965 13 S CB -0.520 62.522 63.200 -0.262 0.000 0.773 13 S HN 0.535 nan 8.310 nan 0.000 0.504 14 T N -0.765 113.550 114.554 -0.397 0.000 3.107 14 T HA 0.152 4.502 4.350 -0.000 0.000 0.249 14 T C 0.111 174.639 174.700 -0.287 0.000 1.096 14 T CA -0.261 61.612 62.100 -0.378 0.000 1.012 14 T CB 0.036 68.688 68.868 -0.360 0.000 0.977 14 T HN 0.066 nan 8.240 nan 0.000 0.527 15 D N 0.695 120.937 120.400 -0.264 0.000 2.385 15 D HA 0.533 5.173 4.640 -0.000 0.000 0.254 15 D C -0.903 175.327 176.300 -0.116 0.000 1.053 15 D CA -0.499 53.386 54.000 -0.192 0.000 0.992 15 D CB 2.491 43.165 40.800 -0.210 0.000 1.145 15 D HN 0.013 nan 8.370 nan 0.000 0.523 16 V N 1.794 121.671 119.914 -0.062 0.000 2.409 16 V HA 0.306 4.426 4.120 -0.000 0.000 0.290 16 V C 0.128 176.267 176.094 0.074 0.000 1.017 16 V CA -0.631 61.658 62.300 -0.018 0.000 0.841 16 V CB 1.416 33.209 31.823 -0.049 0.000 1.003 16 V HN 0.350 nan 8.190 nan 0.000 0.426 17 I N 4.712 125.363 120.570 0.135 0.000 2.428 17 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 17 I C -0.781 175.503 176.117 0.279 0.000 1.019 17 I CA -0.432 61.015 61.300 0.245 0.000 1.351 17 I CB 0.859 39.033 38.000 0.289 0.000 1.412 17 I HN 0.585 nan 8.210 nan 0.000 0.513 18 Y N 6.185 126.569 120.300 0.140 0.000 2.356 18 Y HA 0.219 4.769 4.550 -0.000 0.000 0.334 18 Y C 0.028 175.979 175.900 0.084 0.000 0.958 18 Y CA -0.569 57.584 58.100 0.088 0.000 1.196 18 Y CB 0.968 39.446 38.460 0.029 0.000 1.137 18 Y HN 0.491 nan 8.280 nan 0.000 0.485 19 Q N 7.432 127.105 119.800 -0.212 0.000 2.344 19 Q HA 0.352 4.692 4.340 -0.000 0.000 0.253 19 Q C -1.182 174.588 176.000 -0.384 0.000 1.050 19 Q CA -0.161 55.433 55.803 -0.349 0.000 0.912 19 Q CB 0.331 28.729 28.738 -0.567 0.000 1.258 19 Q HN 0.769 nan 8.270 nan 0.000 0.443 20 I N 4.119 124.472 120.570 -0.362 0.000 2.336 20 I HA 0.180 4.350 4.170 -0.000 0.000 0.292 20 I C -0.474 175.443 176.117 -0.334 0.000 0.991 20 I CA -0.676 60.384 61.300 -0.401 0.000 1.227 20 I CB 0.753 38.495 38.000 -0.430 0.000 1.366 20 I HN 0.568 nan 8.210 nan 0.000 0.466 21 F N 5.692 125.283 119.950 -0.597 0.000 2.406 21 F HA 0.148 4.675 4.527 0.000 0.000 0.358 21 F C 1.693 177.273 175.800 -0.367 0.000 1.161 21 F CA -0.010 57.746 58.000 -0.407 0.000 1.185 21 F CB 0.495 39.319 39.000 -0.293 0.000 1.421 21 F HN 0.557 nan 8.300 nan 0.000 0.576 22 T N 1.503 115.850 114.554 -0.345 0.000 2.624 22 T HA -0.358 3.992 4.350 -0.000 0.000 0.266 22 T C 1.679 176.327 174.700 -0.087 0.000 1.050 22 T CA 2.266 64.188 62.100 -0.295 0.000 1.163 22 T CB -0.273 68.160 68.868 -0.726 0.000 0.861 22 T HN 0.592 nan 8.240 nan 0.000 0.443 23 D N 0.274 120.677 120.400 0.005 0.000 2.263 23 D HA -0.080 4.560 4.640 -0.000 0.000 0.208 23 D C 1.973 178.373 176.300 0.166 0.000 0.971 23 D CA 0.709 54.831 54.000 0.204 0.000 0.867 23 D CB 0.122 41.123 40.800 0.335 0.000 0.929 23 D HN 0.149 nan 8.370 nan 0.000 0.492 24 R N -0.773 119.799 120.500 0.121 0.000 2.393 24 R HA 0.105 4.445 4.340 -0.000 0.000 0.244 24 R C 0.887 177.224 176.300 0.061 0.000 0.920 24 R CA -0.148 55.991 56.100 0.065 0.000 1.076 24 R CB -0.228 30.109 30.300 0.062 0.000 1.119 24 R HN 0.269 nan 8.270 nan 0.000 0.524 25 F N 0.552 120.447 119.950 -0.092 0.000 2.204 25 F HA 0.268 4.795 4.527 -0.000 0.000 0.276 25 F C 0.379 176.288 175.800 0.181 0.000 1.085 25 F CA 0.274 58.292 58.000 0.030 0.000 1.160 25 F CB 0.295 39.308 39.000 0.022 0.000 1.091 25 F HN -0.215 nan 8.300 nan 0.000 0.522 26 S N -0.087 115.690 115.700 0.128 0.000 2.649 26 S HA 0.229 4.699 4.470 -0.000 0.000 0.274 26 S C -1.852 172.807 174.600 0.099 0.000 1.176 26 S CA -0.797 57.428 58.200 0.042 0.000 0.988 26 S CB 0.770 63.910 63.200 -0.100 0.000 1.071 26 S HN 0.244 nan 8.310 nan 0.000 0.478 27 D N 3.606 124.061 120.400 0.092 0.000 2.453 27 D HA 0.403 5.043 4.640 -0.000 0.000 0.223 27 D C 1.192 177.539 176.300 0.078 0.000 1.183 27 D CA -0.030 54.032 54.000 0.104 0.000 0.933 27 D CB 0.515 41.392 40.800 0.129 0.000 1.038 27 D HN 0.674 nan 8.370 nan 0.000 0.513 28 G N 3.191 112.037 108.800 0.077 0.000 2.777 28 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.211 28 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.211 28 G C 0.631 175.563 174.900 0.054 0.000 1.149 28 G CA -0.254 44.882 45.100 0.060 0.000 0.785 28 G HN 0.477 nan 8.290 nan 0.000 0.536 29 N N -0.325 118.408 118.700 0.054 0.000 2.640 29 N HA 0.305 5.045 4.740 -0.000 0.000 0.262 29 N C -2.258 173.262 175.510 0.017 0.000 1.174 29 N CA -1.918 51.152 53.050 0.035 0.000 0.791 29 N CB 2.200 40.710 38.487 0.038 0.000 1.279 29 N HN -0.221 nan 8.380 nan 0.000 0.535 30 P HA 0.013 nan 4.420 nan 0.000 0.226 30 P C 0.908 178.166 177.300 -0.071 0.000 1.153 30 P CA 0.597 63.689 63.100 -0.014 0.000 0.777 30 P CB 0.251 31.952 31.700 0.002 0.000 0.794 31 A N 1.100 123.890 122.820 -0.051 0.000 2.067 31 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 31 A C 1.692 179.220 177.584 -0.094 0.000 1.158 31 A CA 1.584 53.580 52.037 -0.069 0.000 0.661 31 A CB -1.290 17.685 19.000 -0.041 0.000 0.801 31 A HN 0.330 nan 8.150 nan 0.000 0.452 32 N N -0.385 118.263 118.700 -0.087 0.000 2.270 32 N HA 0.025 4.765 4.740 -0.000 0.000 0.198 32 N C -0.615 174.796 175.510 -0.165 0.000 1.117 32 N CA -0.383 52.602 53.050 -0.108 0.000 0.845 32 N CB -0.530 37.912 38.487 -0.075 0.000 0.980 32 N HN 0.148 nan 8.380 nan 0.000 0.486 33 N N 2.334 120.906 118.700 -0.213 0.000 2.492 33 N HA 0.197 4.937 4.740 -0.000 0.000 0.262 33 N C -2.197 173.048 175.510 -0.442 0.000 1.202 33 N CA -0.917 51.927 53.050 -0.343 0.000 0.926 33 N CB 0.261 38.365 38.487 -0.639 0.000 1.078 33 N HN 0.212 nan 8.380 nan 0.000 0.454 34 P HA 0.132 nan 4.420 nan 0.000 0.274 34 P C 0.056 177.156 177.300 -0.333 0.000 1.260 34 P CA -0.164 62.755 63.100 -0.303 0.000 0.793 34 P CB 0.439 31.968 31.700 -0.284 0.000 1.048 35 T N -4.349 110.120 114.554 -0.142 0.000 2.864 35 T HA 0.651 5.001 4.350 -0.000 0.000 0.289 35 T C 0.560 175.295 174.700 0.058 0.000 1.082 35 T CA -0.006 62.039 62.100 -0.092 0.000 1.009 35 T CB 1.224 70.017 68.868 -0.124 0.000 1.234 35 T HN 0.715 nan 8.240 nan 0.000 0.526 36 G N 1.120 109.968 108.800 0.080 0.000 2.611 36 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.301 36 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.301 36 G C 1.269 176.248 174.900 0.132 0.000 1.233 36 G CA 1.062 46.217 45.100 0.091 0.000 0.993 36 G HN 1.928 nan 8.290 nan 0.000 0.553 37 A N -0.288 122.591 122.820 0.099 0.000 2.178 37 A HA 0.388 4.708 4.320 -0.000 0.000 0.218 37 A C 2.606 180.272 177.584 0.136 0.000 1.157 37 A CA 2.649 54.746 52.037 0.100 0.000 0.689 37 A CB -0.601 18.443 19.000 0.074 0.000 0.787 37 A HN 2.202 nan 8.150 nan 0.000 0.465 38 A N -2.244 120.682 122.820 0.177 0.000 2.308 38 A HA 0.533 4.853 4.320 -0.000 0.000 0.217 38 A C 0.230 178.023 177.584 0.348 0.000 1.216 38 A CA -0.059 52.125 52.037 0.246 0.000 0.864 38 A CB -0.136 19.006 19.000 0.236 0.000 0.902 38 A HN 0.468 nan 8.150 nan 0.000 0.499 39 F N -0.611 119.398 119.950 0.099 0.000 2.577 39 F HA 0.614 5.141 4.527 0.000 0.000 0.318 39 F C -1.606 174.230 175.800 0.060 0.000 1.065 39 F CA -1.340 56.716 58.000 0.094 0.000 0.929 39 F CB 2.006 41.039 39.000 0.054 0.000 1.237 39 F HN -0.036 nan 8.300 nan 0.000 0.468 40 D N 2.633 122.503 120.400 -0.885 0.000 2.411 40 D HA 0.241 4.881 4.640 -0.000 0.000 0.239 40 D C 0.837 176.583 176.300 -0.924 0.000 1.307 40 D CA 0.095 53.702 54.000 -0.656 0.000 0.930 40 D CB 0.904 41.526 40.800 -0.296 0.000 1.395 40 D HN 0.713 nan 8.370 nan 0.000 0.536 41 G N 1.499 109.725 108.800 -0.957 0.000 2.485 41 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.221 41 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.221 41 G C 1.334 176.117 174.900 -0.194 0.000 1.115 41 G CA 1.599 46.447 45.100 -0.420 0.000 0.751 41 G HN 0.535 nan 8.290 nan 0.000 0.567 42 T N -3.972 110.476 114.554 -0.177 0.000 3.088 42 T HA 0.046 4.396 4.350 -0.000 0.000 0.259 42 T C 1.317 175.946 174.700 -0.119 0.000 1.122 42 T CA 0.660 62.697 62.100 -0.105 0.000 1.095 42 T CB -0.549 68.276 68.868 -0.071 0.000 0.930 42 T HN 0.600 nan 8.240 nan 0.000 0.508 43 c N 1.574 120.067 118.600 -0.179 0.000 4.365 43 c HA -0.202 4.368 4.570 -0.000 0.000 0.299 43 c C 1.643 175.663 174.090 -0.116 0.000 1.409 43 c CA 0.957 57.192 56.329 -0.157 0.000 2.007 43 c CB -2.687 39.756 42.510 -0.112 0.000 1.264 43 c HN 0.793 nan 8.230 nan 0.000 0.777 44 T N -0.356 114.133 114.554 -0.110 0.000 2.939 44 T HA -0.025 4.325 4.350 -0.000 0.000 0.254 44 T C 0.834 175.488 174.700 -0.077 0.000 1.041 44 T CA 1.236 63.290 62.100 -0.076 0.000 1.142 44 T CB -0.187 68.646 68.868 -0.059 0.000 0.874 44 T HN 0.675 nan 8.240 nan 0.000 0.452 45 N N 2.261 120.904 118.700 -0.095 0.000 2.482 45 N HA 0.150 4.890 4.740 -0.000 0.000 0.242 45 N C 0.664 176.092 175.510 -0.137 0.000 1.100 45 N CA -0.165 52.833 53.050 -0.086 0.000 0.946 45 N CB 0.110 38.557 38.487 -0.067 0.000 1.227 45 N HN 0.293 nan 8.380 nan 0.000 0.508 46 L N 2.305 123.450 121.223 -0.129 0.000 2.642 46 L HA -0.027 4.313 4.340 -0.000 0.000 0.236 46 L C 1.617 178.289 176.870 -0.329 0.000 1.169 46 L CA 0.658 55.377 54.840 -0.202 0.000 0.851 46 L CB -0.076 41.917 42.059 -0.110 0.000 0.968 46 L HN 0.364 nan 8.230 nan 0.000 0.453 47 R N -0.860 119.519 120.500 -0.202 0.000 2.397 47 R HA 0.302 4.642 4.340 -0.000 0.000 0.241 47 R C 0.223 176.451 176.300 -0.120 0.000 0.914 47 R CA -0.085 55.955 56.100 -0.100 0.000 1.071 47 R CB 0.514 30.883 30.300 0.115 0.000 1.116 47 R HN 0.237 nan 8.270 nan 0.000 0.524 48 L N -0.330 120.767 121.223 -0.210 0.000 2.331 48 L HA 0.388 4.728 4.340 -0.000 0.000 0.268 48 L C -0.209 176.565 176.870 -0.159 0.000 1.015 48 L CA -1.237 53.557 54.840 -0.077 0.000 0.807 48 L CB 0.511 42.555 42.059 -0.025 0.000 1.293 48 L HN -0.091 nan 8.230 nan 0.000 0.451 49 Y N -0.867 119.442 120.300 0.016 0.000 2.411 49 Y HA -0.006 4.544 4.550 -0.000 0.000 0.333 49 Y C 0.910 176.756 175.900 -0.091 0.000 1.186 49 Y CA -0.045 58.106 58.100 0.087 0.000 1.381 49 Y CB 0.865 39.480 38.460 0.258 0.000 1.273 49 Y HN 0.539 nan 8.280 nan 0.000 0.546 50 c N 0.579 119.234 118.600 0.092 0.000 3.019 50 c HA 0.343 4.913 4.570 -0.000 0.000 0.295 50 c C 1.704 175.893 174.090 0.164 0.000 1.256 50 c CA 0.399 56.673 56.329 -0.093 0.000 1.706 50 c CB -0.333 42.124 42.510 -0.088 0.000 2.153 50 c HN 1.215 nan 8.230 nan 0.000 0.618 51 G N 0.333 109.382 108.800 0.415 0.000 2.231 51 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.206 51 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.206 51 G C 0.395 175.449 174.900 0.256 0.000 0.996 51 G CA -0.108 45.247 45.100 0.426 0.000 0.645 51 G HN 0.785 nan 8.290 nan 0.000 0.498 52 G N 0.854 109.788 108.800 0.223 0.000 2.353 52 G HA2 0.517 4.477 3.960 -0.000 0.000 0.239 52 G HA3 0.517 4.477 3.960 -0.000 0.000 0.239 52 G C 0.030 175.018 174.900 0.147 0.000 1.295 52 G CA 1.185 46.387 45.100 0.171 0.000 0.884 52 G HN 1.065 nan 8.290 nan 0.000 0.537 53 D N -0.289 120.177 120.400 0.110 0.000 2.752 53 D HA 0.233 4.873 4.640 -0.000 0.000 0.313 53 D C 0.590 176.963 176.300 0.122 0.000 1.225 53 D CA -0.916 53.098 54.000 0.024 0.000 0.976 53 D CB 0.167 40.986 40.800 0.031 0.000 1.443 53 D HN 0.309 nan 8.370 nan 0.000 0.515 54 W N -0.444 120.932 121.300 0.127 0.000 2.363 54 W HA -0.051 4.609 4.660 -0.000 0.000 0.296 54 W C 2.062 178.630 176.519 0.081 0.000 1.212 54 W CA 1.069 58.471 57.345 0.095 0.000 1.260 54 W CB -1.043 28.490 29.460 0.122 0.000 1.131 54 W HN 0.548 nan 8.180 nan 0.000 0.530 55 Q N 0.481 120.444 119.800 0.272 0.000 2.124 55 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 55 Q C 2.375 178.458 176.000 0.139 0.000 0.977 55 Q CA 2.398 58.305 55.803 0.174 0.000 0.850 55 Q CB -0.958 27.855 28.738 0.124 0.000 0.901 55 Q HN 0.162 nan 8.270 nan 0.000 0.429 56 G N 0.426 109.316 108.800 0.150 0.000 2.418 56 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 56 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 56 G C 1.429 176.425 174.900 0.161 0.000 1.158 56 G CA 0.952 46.123 45.100 0.119 0.000 0.771 56 G HN 0.431 nan 8.290 nan 0.000 0.545 57 I N 0.554 121.290 120.570 0.277 0.000 2.226 57 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 57 I C 2.659 178.885 176.117 0.181 0.000 1.100 57 I CA 0.803 62.297 61.300 0.323 0.000 1.374 57 I CB -0.261 37.903 38.000 0.274 0.000 1.057 57 I HN 0.140 nan 8.210 nan 0.000 0.413 58 I N 1.076 121.724 120.570 0.130 0.000 2.208 58 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 58 I C 2.231 178.375 176.117 0.045 0.000 1.097 58 I CA 1.381 62.723 61.300 0.069 0.000 1.363 58 I CB -0.569 37.469 38.000 0.063 0.000 1.051 58 I HN 0.330 nan 8.210 nan 0.000 0.413 59 N N 0.922 119.643 118.700 0.036 0.000 2.120 59 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 59 N C 1.713 177.190 175.510 -0.055 0.000 1.024 59 N CA 1.125 54.166 53.050 -0.015 0.000 0.852 59 N CB -0.294 38.171 38.487 -0.036 0.000 1.003 59 N HN 0.265 nan 8.380 nan 0.000 0.424 60 K N 0.890 121.253 120.400 -0.060 0.000 2.288 60 K HA 0.094 4.414 4.320 -0.000 0.000 0.201 60 K C 2.060 178.680 176.600 0.035 0.000 1.048 60 K CA 0.258 56.488 56.287 -0.095 0.000 0.956 60 K CB -0.215 32.199 32.500 -0.143 0.000 0.746 60 K HN 0.314 nan 8.250 nan 0.000 0.461 61 I N 1.339 121.942 120.570 0.055 0.000 2.333 61 I HA -0.212 3.958 4.170 -0.000 0.000 0.246 61 I C 1.513 177.638 176.117 0.014 0.000 1.106 61 I CA 0.808 62.133 61.300 0.040 0.000 1.411 61 I CB -0.132 37.888 38.000 0.034 0.000 1.082 61 I HN 0.109 nan 8.210 nan 0.000 0.420 62 N N 0.947 119.651 118.700 0.005 0.000 2.331 62 N HA -0.144 4.596 4.740 -0.000 0.000 0.180 62 N C 1.126 176.631 175.510 -0.008 0.000 1.019 62 N CA 1.289 54.338 53.050 -0.002 0.000 0.881 62 N CB -0.359 38.127 38.487 -0.002 0.000 0.972 62 N HN 0.483 nan 8.380 nan 0.000 0.435 63 D N -0.965 119.423 120.400 -0.019 0.000 2.328 63 D HA 0.126 4.766 4.640 -0.000 0.000 0.226 63 D C 1.169 177.472 176.300 0.005 0.000 1.066 63 D CA 0.458 54.446 54.000 -0.021 0.000 0.861 63 D CB -0.273 40.495 40.800 -0.053 0.000 0.912 63 D HN 0.197 nan 8.370 nan 0.000 0.521 64 G N -0.216 108.594 108.800 0.018 0.000 2.176 64 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.253 64 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.253 64 G C 0.695 175.635 174.900 0.066 0.000 0.979 64 G CA 0.377 45.495 45.100 0.030 0.000 0.641 64 G HN 0.362 nan 8.290 nan 0.000 0.530 65 Y N 0.996 121.274 120.300 -0.036 0.000 2.081 65 Y HA -0.030 4.520 4.550 -0.000 0.000 0.280 65 Y C 2.696 178.635 175.900 0.065 0.000 1.163 65 Y CA 2.565 60.677 58.100 0.021 0.000 1.135 65 Y CB -0.394 37.989 38.460 -0.128 0.000 0.970 65 Y HN 0.321 nan 8.280 nan 0.000 0.498 66 L N -0.939 120.246 121.223 -0.063 0.000 2.044 66 L HA -0.174 4.166 4.340 -0.000 0.000 0.205 66 L C 2.599 179.348 176.870 -0.201 0.000 1.075 66 L CA 1.776 56.484 54.840 -0.221 0.000 0.747 66 L CB -1.266 40.723 42.059 -0.117 0.000 0.903 66 L HN 0.328 nan 8.230 nan 0.000 0.435 67 T N -2.584 111.910 114.554 -0.099 0.000 2.788 67 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 67 T C 1.913 176.558 174.700 -0.092 0.000 1.044 67 T CA 1.127 63.176 62.100 -0.085 0.000 1.139 67 T CB -1.025 67.817 68.868 -0.044 0.000 0.867 67 T HN 0.401 nan 8.240 nan 0.000 0.454 68 G N 0.326 109.092 108.800 -0.056 0.000 2.509 68 G HA2 -0.017 3.942 3.960 -0.000 0.000 0.218 68 G HA3 -0.017 3.942 3.960 -0.000 0.000 0.218 68 G C 1.452 176.302 174.900 -0.083 0.000 1.124 68 G CA 0.506 45.611 45.100 0.008 0.000 0.776 68 G HN 0.516 nan 8.290 nan 0.000 0.547 69 M N -0.120 119.280 119.600 -0.334 0.000 2.509 69 M HA 0.240 4.720 4.480 -0.000 0.000 0.250 69 M C 1.731 177.793 176.300 -0.397 0.000 1.132 69 M CA 0.929 55.813 55.300 -0.694 0.000 1.080 69 M CB 0.468 32.477 32.600 -0.985 0.000 1.408 69 M HN 0.352 nan 8.290 nan 0.000 0.484 70 G N 0.729 109.377 108.800 -0.253 0.000 2.157 70 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.239 70 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.239 70 G C -0.009 174.794 174.900 -0.161 0.000 0.982 70 G CA 0.087 45.078 45.100 -0.182 0.000 0.650 70 G HN 0.320 nan 8.290 nan 0.000 0.527 71 V N 1.611 121.416 119.914 -0.181 0.000 2.585 71 V HA 0.455 4.575 4.120 -0.000 0.000 0.296 71 V C 1.635 177.684 176.094 -0.076 0.000 1.035 71 V CA 1.519 63.751 62.300 -0.115 0.000 1.084 71 V CB 1.368 33.095 31.823 -0.160 0.000 0.953 71 V HN 0.845 nan 8.190 nan 0.000 0.483 72 T N 0.858 115.388 114.554 -0.041 0.000 3.091 72 T HA 0.667 5.017 4.350 -0.000 0.000 0.277 72 T C 0.002 174.700 174.700 -0.004 0.000 0.996 72 T CA 0.382 62.453 62.100 -0.050 0.000 0.897 72 T CB 0.447 69.253 68.868 -0.104 0.000 1.109 72 T HN 1.054 nan 8.240 nan 0.000 0.534 73 A N 1.584 124.455 122.820 0.084 0.000 2.589 73 A HA 0.752 5.072 4.320 -0.000 0.000 0.296 73 A C -1.251 176.484 177.584 0.252 0.000 1.062 73 A CA -1.194 50.962 52.037 0.199 0.000 0.686 73 A CB 1.081 20.286 19.000 0.342 0.000 1.282 73 A HN 0.760 nan 8.150 nan 0.000 0.404 74 I N -1.996 118.737 120.570 0.270 0.000 2.608 74 I HA 0.844 5.014 4.170 -0.000 0.000 0.295 74 I C -1.041 175.289 176.117 0.354 0.000 1.049 74 I CA -0.749 60.713 61.300 0.270 0.000 1.063 74 I CB 2.056 40.153 38.000 0.161 0.000 1.248 74 I HN 0.788 nan 8.210 nan 0.000 0.424 75 W N 8.932 130.321 121.300 0.148 0.000 2.336 75 W HA 0.715 5.375 4.660 -0.000 0.000 0.315 75 W C -1.208 175.343 176.519 0.053 0.000 1.016 75 W CA -1.930 55.499 57.345 0.139 0.000 1.318 75 W CB 0.638 30.237 29.460 0.232 0.000 1.247 75 W HN 0.639 nan 8.180 nan 0.000 0.414 76 I N 2.566 123.315 120.570 0.299 0.000 2.793 76 I HA 0.629 4.799 4.170 -0.000 0.000 0.313 76 I C 0.535 176.667 176.117 0.026 0.000 0.998 76 I CA -0.858 60.474 61.300 0.054 0.000 1.140 76 I CB 1.413 39.451 38.000 0.062 0.000 1.327 76 I HN 0.206 nan 8.210 nan 0.000 0.491 77 S N 2.155 117.721 115.700 -0.224 0.000 2.559 77 S HA -0.068 4.402 4.470 -0.000 0.000 0.282 77 S C 0.052 174.576 174.600 -0.126 0.000 1.336 77 S CA -0.283 57.701 58.200 -0.361 0.000 1.037 77 S CB 0.233 63.076 63.200 -0.596 0.000 0.853 77 S HN 0.740 nan 8.310 nan 0.000 0.523 78 Q N 2.921 122.589 119.800 -0.219 0.000 2.269 78 Q HA -0.022 4.318 4.340 -0.000 0.000 0.300 78 Q C -1.627 174.413 176.000 0.066 0.000 1.070 78 Q CA -0.896 54.845 55.803 -0.103 0.000 0.957 78 Q CB 0.559 29.180 28.738 -0.196 0.000 1.131 78 Q HN 0.314 nan 8.270 nan 0.000 0.377 79 P HA -0.029 nan 4.420 nan 0.000 0.240 79 P C 0.343 177.767 177.300 0.205 0.000 1.190 79 P CA 0.267 63.550 63.100 0.305 0.000 0.781 79 P CB -0.137 31.513 31.700 -0.083 0.000 0.931 80 V N -1.347 118.556 119.914 -0.018 0.000 3.096 80 V HA 0.169 4.289 4.120 -0.000 0.000 0.306 80 V C 0.485 176.551 176.094 -0.047 0.000 1.088 80 V CA -0.901 61.442 62.300 0.072 0.000 1.129 80 V CB 0.069 31.884 31.823 -0.012 0.000 1.014 80 V HN -0.002 nan 8.190 nan 0.000 0.486 81 E N 3.269 123.459 120.200 -0.017 0.000 2.480 81 E HA 0.056 4.406 4.350 -0.000 0.000 0.258 81 E C -0.077 176.383 176.600 -0.233 0.000 0.984 81 E CA 0.173 56.498 56.400 -0.126 0.000 0.930 81 E CB 0.186 29.862 29.700 -0.040 0.000 0.936 81 E HN 0.894 nan 8.360 nan 0.000 0.466 82 N N 3.112 121.604 118.700 -0.346 0.000 2.483 82 N HA 0.302 5.042 4.740 -0.000 0.000 0.285 82 N C 0.103 175.360 175.510 -0.423 0.000 1.210 82 N CA -0.776 52.100 53.050 -0.289 0.000 0.931 82 N CB 0.982 39.322 38.487 -0.246 0.000 1.220 82 N HN 0.468 nan 8.380 nan 0.000 0.542 83 I N -0.991 119.470 120.570 -0.180 0.000 2.892 83 I HA -0.027 4.143 4.170 -0.000 0.000 0.287 83 I C -0.066 175.893 176.117 -0.264 0.000 1.205 83 I CA 0.080 61.283 61.300 -0.161 0.000 1.409 83 I CB 0.243 38.239 38.000 -0.006 0.000 1.367 83 I HN 0.610 nan 8.210 nan 0.000 0.597 84 Y N 2.379 122.690 120.300 0.019 0.000 2.462 84 Y HA 0.109 4.659 4.550 -0.000 0.000 0.261 84 Y C 1.613 177.535 175.900 0.037 0.000 1.146 84 Y CA -0.013 58.095 58.100 0.015 0.000 1.283 84 Y CB -0.295 38.142 38.460 -0.040 0.000 1.090 84 Y HN 0.698 nan 8.280 nan 0.000 0.526 85 S N 0.845 116.623 115.700 0.131 0.000 2.572 85 S HA 0.267 4.737 4.470 -0.000 0.000 0.279 85 S C -0.249 174.405 174.600 0.090 0.000 1.341 85 S CA -0.499 57.737 58.200 0.061 0.000 1.043 85 S CB 0.754 63.919 63.200 -0.059 0.000 0.887 85 S HN 0.221 nan 8.310 nan 0.000 0.516 86 I N 2.444 123.052 120.570 0.064 0.000 2.307 86 I HA 0.290 4.460 4.170 -0.000 0.000 0.287 86 I C -0.309 175.812 176.117 0.006 0.000 1.054 86 I CA -0.410 60.942 61.300 0.087 0.000 1.218 86 I CB 0.342 38.397 38.000 0.092 0.000 1.398 86 I HN 0.549 nan 8.210 nan 0.000 0.475 87 I N 6.070 126.629 120.570 -0.018 0.000 2.441 87 I HA 0.112 4.282 4.170 -0.000 0.000 0.287 87 I C 0.540 176.555 176.117 -0.170 0.000 1.049 87 I CA -0.181 60.998 61.300 -0.201 0.000 1.381 87 I CB 0.593 38.338 38.000 -0.426 0.000 1.409 87 I HN 0.558 nan 8.210 nan 0.000 0.523 88 N N 6.760 125.363 118.700 -0.161 0.000 2.439 88 N HA 0.153 4.893 4.740 -0.000 0.000 0.249 88 N C -1.604 173.853 175.510 -0.089 0.000 1.003 88 N CA -0.270 52.742 53.050 -0.063 0.000 0.942 88 N CB 0.577 39.066 38.487 0.003 0.000 1.115 88 N HN 0.310 nan 8.380 nan 0.000 0.505 89 Y N 1.983 122.354 120.300 0.118 0.000 2.491 89 Y HA 0.190 4.740 4.550 -0.000 0.000 0.334 89 Y C 0.762 176.695 175.900 0.055 0.000 0.969 89 Y CA -0.665 57.489 58.100 0.089 0.000 1.241 89 Y CB 0.834 39.354 38.460 0.100 0.000 1.105 89 Y HN 0.498 nan 8.280 nan 0.000 0.503 90 S N 2.823 118.636 115.700 0.189 0.000 3.628 90 S HA -0.168 4.302 4.470 -0.000 0.000 0.373 90 S C 1.272 175.925 174.600 0.088 0.000 0.968 90 S CA 1.045 59.310 58.200 0.108 0.000 1.215 90 S CB -1.412 61.840 63.200 0.087 0.000 0.912 90 S HN 1.539 nan 8.310 nan 0.000 0.495 91 G N -1.685 107.161 108.800 0.078 0.000 2.155 91 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 91 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 91 G C 0.068 175.011 174.900 0.072 0.000 0.983 91 G CA 0.147 45.284 45.100 0.062 0.000 0.676 91 G HN 1.261 nan 8.290 nan 0.000 0.528 92 V N 0.878 120.854 119.914 0.104 0.000 2.487 92 V HA 0.462 4.582 4.120 -0.000 0.000 0.298 92 V C -0.075 176.098 176.094 0.131 0.000 1.028 92 V CA -1.350 61.018 62.300 0.113 0.000 0.860 92 V CB 1.736 33.634 31.823 0.125 0.000 0.991 92 V HN 0.274 nan 8.190 nan 0.000 0.427 93 N N 4.201 122.966 118.700 0.107 0.000 2.497 93 N HA 0.306 5.046 4.740 -0.000 0.000 0.271 93 N C -0.457 175.154 175.510 0.170 0.000 1.142 93 N CA 0.200 53.318 53.050 0.113 0.000 0.965 93 N CB 0.445 38.986 38.487 0.090 0.000 1.077 93 N HN 0.659 nan 8.380 nan 0.000 0.462 94 N N -0.018 118.812 118.700 0.217 0.000 2.225 94 N HA 0.410 5.150 4.740 -0.000 0.000 0.298 94 N C -0.521 175.204 175.510 0.359 0.000 1.076 94 N CA -0.400 52.857 53.050 0.344 0.000 0.792 94 N CB 2.200 41.030 38.487 0.571 0.000 1.498 94 N HN 0.551 nan 8.380 nan 0.000 0.474 95 T N -2.691 112.057 114.554 0.323 0.000 2.858 95 T HA 0.614 4.964 4.350 -0.000 0.000 0.285 95 T C 0.342 174.958 174.700 -0.139 0.000 1.052 95 T CA -0.709 61.536 62.100 0.242 0.000 1.009 95 T CB 1.573 70.584 68.868 0.238 0.000 1.241 95 T HN 0.338 nan 8.240 nan 0.000 0.542 96 A N 0.241 122.908 122.820 -0.254 0.000 2.476 96 A HA 0.297 4.617 4.320 -0.000 0.000 0.263 96 A C 1.327 178.216 177.584 -1.158 0.000 1.342 96 A CA -0.178 51.342 52.037 -0.861 0.000 0.926 96 A CB -1.561 17.294 19.000 -0.243 0.000 1.019 96 A HN 0.949 nan 8.150 nan 0.000 0.515 97 Y N 0.191 119.712 120.300 -1.298 0.000 2.298 97 Y HA -0.348 4.202 4.550 -0.000 0.000 0.287 97 Y C 1.835 177.391 175.900 -0.575 0.000 1.164 97 Y CA 1.825 59.142 58.100 -1.305 0.000 1.229 97 Y CB -1.255 36.643 38.460 -0.936 0.000 0.977 97 Y HN 0.650 nan 8.280 nan 0.000 0.538 98 H N -1.230 116.978 119.070 -1.438 0.000 2.524 98 H HA 0.264 4.820 4.556 -0.000 0.000 0.282 98 H C 2.039 176.890 175.328 -0.795 0.000 1.016 98 H CA 0.269 55.706 56.048 -1.018 0.000 1.270 98 H CB -0.755 28.565 29.762 -0.736 0.000 1.394 98 H HN 0.445 nan 8.280 nan 0.000 0.568 99 G N -0.355 108.069 108.800 -0.627 0.000 2.179 99 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.260 99 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.260 99 G C 0.383 175.079 174.900 -0.340 0.000 0.977 99 G CA 0.502 45.361 45.100 -0.402 0.000 0.641 99 G HN 0.549 nan 8.290 nan 0.000 0.533 100 Y N -1.222 119.129 120.300 0.086 0.000 2.490 100 Y HA 0.362 4.912 4.550 0.000 0.000 0.281 100 Y C 0.825 176.949 175.900 0.374 0.000 1.174 100 Y CA -0.357 57.842 58.100 0.165 0.000 1.295 100 Y CB 0.323 38.863 38.460 0.133 0.000 1.062 100 Y HN 0.367 nan 8.280 nan 0.000 0.522 101 W N 1.462 122.905 121.300 0.238 0.000 2.101 101 W HA 0.677 5.337 4.660 -0.000 0.000 0.301 101 W C 0.030 176.530 176.519 -0.033 0.000 0.846 101 W CA -2.134 55.301 57.345 0.151 0.000 1.823 101 W CB -0.475 29.056 29.460 0.118 0.000 2.007 101 W HN -0.161 nan 8.180 nan 0.000 0.373 102 A N 2.328 125.200 122.820 0.087 0.000 2.445 102 A HA 0.449 4.769 4.320 -0.000 0.000 0.242 102 A C 1.370 178.894 177.584 -0.100 0.000 1.075 102 A CA 0.089 51.985 52.037 -0.235 0.000 0.777 102 A CB 0.591 19.061 19.000 -0.884 0.000 1.013 102 A HN 0.676 nan 8.150 nan 0.000 0.493 103 R N -0.046 120.387 120.500 -0.111 0.000 2.492 103 R HA 0.266 4.606 4.340 -0.000 0.000 0.219 103 R C -0.811 175.609 176.300 0.200 0.000 0.886 103 R CA 0.304 56.462 56.100 0.096 0.000 1.003 103 R CB 0.642 31.011 30.300 0.114 0.000 1.345 103 R HN 0.504 nan 8.270 nan 0.000 0.631 104 D N 0.041 120.480 120.400 0.066 0.000 2.470 104 D HA 0.167 4.807 4.640 -0.000 0.000 0.233 104 D C -0.614 175.818 176.300 0.220 0.000 1.372 104 D CA -0.674 53.478 54.000 0.254 0.000 0.994 104 D CB 0.920 41.859 40.800 0.232 0.000 1.377 104 D HN 0.023 nan 8.370 nan 0.000 0.586 105 F N 1.792 121.995 119.950 0.423 0.000 2.771 105 F HA 0.109 4.636 4.527 -0.000 0.000 0.299 105 F C 2.103 178.173 175.800 0.451 0.000 1.177 105 F CA 0.636 58.873 58.000 0.396 0.000 1.450 105 F CB 0.259 39.449 39.000 0.317 0.000 1.114 105 F HN 0.141 nan 8.300 nan 0.000 0.587 106 K N -0.302 120.372 120.400 0.457 0.000 2.358 106 K HA 0.146 4.465 4.320 -0.000 0.000 0.197 106 K C 0.330 177.028 176.600 0.163 0.000 1.025 106 K CA 0.199 56.636 56.287 0.250 0.000 1.104 106 K CB 0.519 33.126 32.500 0.179 0.000 0.855 106 K HN 0.130 nan 8.250 nan 0.000 0.531 107 K N 0.817 121.367 120.400 0.250 0.000 2.395 107 K HA 0.232 4.552 4.320 -0.000 0.000 0.245 107 K C -0.067 176.716 176.600 0.305 0.000 1.017 107 K CA -0.622 55.780 56.287 0.192 0.000 0.852 107 K CB 1.937 34.521 32.500 0.140 0.000 1.311 107 K HN -0.049 nan 8.250 nan 0.000 0.452 108 T N -1.550 113.173 114.554 0.282 0.000 2.881 108 T HA 0.171 4.521 4.350 -0.000 0.000 0.278 108 T C 0.197 174.980 174.700 0.138 0.000 0.982 108 T CA -0.799 61.527 62.100 0.377 0.000 0.989 108 T CB 0.794 69.957 68.868 0.492 0.000 1.058 108 T HN 0.444 nan 8.240 nan 0.000 0.529 109 N N 2.103 120.810 118.700 0.011 0.000 2.415 109 N HA 0.242 4.982 4.740 -0.000 0.000 0.246 109 N C -1.686 173.642 175.510 -0.305 0.000 1.078 109 N CA -2.454 50.423 53.050 -0.287 0.000 0.942 109 N CB 1.120 39.185 38.487 -0.704 0.000 1.140 109 N HN 0.312 nan 8.380 nan 0.000 0.501 110 P HA -0.137 nan 4.420 nan 0.000 0.218 110 P C 0.806 177.982 177.300 -0.206 0.000 1.146 110 P CA 1.024 64.053 63.100 -0.118 0.000 0.813 110 P CB 0.174 31.857 31.700 -0.029 0.000 0.778 111 A N -1.372 121.253 122.820 -0.325 0.000 1.969 111 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 111 A C 1.968 179.450 177.584 -0.170 0.000 1.169 111 A CA 1.198 53.053 52.037 -0.303 0.000 0.635 111 A CB -1.494 17.213 19.000 -0.489 0.000 0.810 111 A HN 0.086 nan 8.150 nan 0.000 0.445 112 Y N -0.690 119.329 120.300 -0.468 0.000 2.243 112 Y HA 0.365 4.915 4.550 -0.000 0.000 0.293 112 Y C 1.606 176.912 175.900 -0.989 0.000 1.124 112 Y CA 0.181 57.716 58.100 -0.942 0.000 1.159 112 Y CB -0.806 36.707 38.460 -1.579 0.000 1.008 112 Y HN 0.436 nan 8.280 nan 0.000 0.527 113 G N -1.179 107.290 108.800 -0.551 0.000 2.341 113 G HA2 0.313 4.273 3.960 -0.000 0.000 0.293 113 G HA3 0.313 4.273 3.960 -0.000 0.000 0.293 113 G C -0.713 174.280 174.900 0.154 0.000 1.298 113 G CA -0.500 44.557 45.100 -0.072 0.000 0.868 113 G HN 0.199 nan 8.290 nan 0.000 0.540 114 T N -1.495 113.237 114.554 0.297 0.000 2.849 114 T HA 0.580 4.930 4.350 -0.000 0.000 0.276 114 T C 1.660 176.614 174.700 0.423 0.000 0.971 114 T CA -0.405 61.865 62.100 0.284 0.000 0.949 114 T CB 0.961 69.936 68.868 0.180 0.000 1.093 114 T HN 0.455 nan 8.240 nan 0.000 0.545 115 I N 0.693 121.432 120.570 0.282 0.000 2.264 115 I HA -0.148 4.022 4.170 -0.000 0.000 0.248 115 I C 3.015 179.287 176.117 0.258 0.000 1.111 115 I CA 1.797 63.243 61.300 0.244 0.000 1.382 115 I CB -1.834 36.221 38.000 0.092 0.000 1.060 115 I HN 0.877 nan 8.210 nan 0.000 0.418 116 A N 0.730 123.670 122.820 0.201 0.000 1.908 116 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 116 A C 1.995 179.699 177.584 0.200 0.000 1.181 116 A CA 1.966 54.101 52.037 0.163 0.000 0.627 116 A CB -0.584 18.489 19.000 0.120 0.000 0.818 116 A HN 0.358 nan 8.150 nan 0.000 0.445 117 D N -1.144 119.429 120.400 0.288 0.000 2.123 117 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 117 D C 1.624 178.119 176.300 0.325 0.000 0.992 117 D CA 1.237 55.445 54.000 0.346 0.000 0.833 117 D CB -0.445 40.653 40.800 0.496 0.000 0.954 117 D HN 0.477 nan 8.370 nan 0.000 0.455 118 F N 1.625 121.695 119.950 0.200 0.000 2.126 118 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 118 F C 2.464 178.201 175.800 -0.103 0.000 1.096 118 F CA 1.506 59.410 58.000 -0.160 0.000 1.255 118 F CB -0.077 38.808 39.000 -0.192 0.000 0.997 118 F HN -0.072 nan 8.300 nan 0.000 0.479 119 Q N -0.141 119.733 119.800 0.124 0.000 2.084 119 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 119 Q C 1.919 177.877 176.000 -0.070 0.000 0.978 119 Q CA 1.600 57.419 55.803 0.028 0.000 0.844 119 Q CB -0.363 28.424 28.738 0.081 0.000 0.898 119 Q HN 0.404 nan 8.270 nan 0.000 0.426 120 N N 0.722 119.408 118.700 -0.023 0.000 2.166 120 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 120 N C 1.707 177.156 175.510 -0.102 0.000 1.019 120 N CA 0.801 53.834 53.050 -0.028 0.000 0.856 120 N CB -0.301 38.207 38.487 0.036 0.000 0.993 120 N HN 0.151 nan 8.380 nan 0.000 0.426 121 L N 1.230 122.342 121.223 -0.184 0.000 2.017 121 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 121 L C 1.891 178.529 176.870 -0.386 0.000 1.073 121 L CA 1.396 56.066 54.840 -0.284 0.000 0.745 121 L CB -0.663 41.125 42.059 -0.451 0.000 0.894 121 L HN 0.017 nan 8.230 nan 0.000 0.432 122 I N 0.309 120.560 120.570 -0.533 0.000 2.163 122 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 122 I C 2.689 178.495 176.117 -0.519 0.000 1.085 122 I CA 1.577 62.519 61.300 -0.595 0.000 1.347 122 I CB -1.860 35.847 38.000 -0.488 0.000 1.044 122 I HN 0.411 nan 8.210 nan 0.000 0.408 123 A N 0.842 123.502 122.820 -0.266 0.000 1.877 123 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 123 A C 2.591 180.125 177.584 -0.082 0.000 1.186 123 A CA 2.103 54.066 52.037 -0.123 0.000 0.620 123 A CB -0.861 18.108 19.000 -0.053 0.000 0.822 123 A HN 0.421 nan 8.150 nan 0.000 0.443 124 A N -0.189 122.576 122.820 -0.091 0.000 1.902 124 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 124 A C 2.516 180.076 177.584 -0.041 0.000 1.181 124 A CA 2.226 54.234 52.037 -0.048 0.000 0.623 124 A CB -1.047 17.932 19.000 -0.035 0.000 0.818 124 A HN 1.050 nan 8.150 nan 0.000 0.443 125 A N -0.722 122.043 122.820 -0.092 0.000 1.858 125 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 125 A C 1.939 179.557 177.584 0.057 0.000 1.190 125 A CA 1.662 53.671 52.037 -0.045 0.000 0.617 125 A CB -1.121 17.821 19.000 -0.096 0.000 0.827 125 A HN 0.753 nan 8.150 nan 0.000 0.443 126 H N -0.728 118.317 119.070 -0.042 0.000 2.387 126 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 126 H C 2.444 177.751 175.328 -0.035 0.000 1.099 126 H CA 0.682 56.707 56.048 -0.038 0.000 1.315 126 H CB -0.008 29.734 29.762 -0.033 0.000 1.380 126 H HN 0.569 nan 8.280 nan 0.000 0.513 127 A N 1.018 123.897 122.820 0.098 0.000 2.024 127 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 127 A C 1.743 179.339 177.584 0.020 0.000 1.164 127 A CA 1.285 53.347 52.037 0.042 0.000 0.643 127 A CB 0.033 19.047 19.000 0.023 0.000 0.806 127 A HN 0.190 nan 8.150 nan 0.000 0.451 128 K N -0.267 120.145 120.400 0.021 0.000 2.440 128 K HA 0.109 4.429 4.320 -0.000 0.000 0.206 128 K C -0.347 176.249 176.600 -0.007 0.000 1.025 128 K CA -0.224 56.064 56.287 0.002 0.000 1.135 128 K CB 0.108 32.607 32.500 -0.002 0.000 0.856 128 K HN 0.464 nan 8.250 nan 0.000 0.502 129 N N 0.864 119.563 118.700 -0.001 0.000 2.747 129 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 129 N C -0.613 174.882 175.510 -0.026 0.000 1.107 129 N CA 0.752 53.783 53.050 -0.031 0.000 0.707 129 N CB -1.515 36.937 38.487 -0.058 0.000 1.054 129 N HN 0.339 nan 8.380 nan 0.000 0.555 130 I N 0.806 121.393 120.570 0.029 0.000 2.354 130 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 130 I C 0.648 176.840 176.117 0.126 0.000 0.989 130 I CA -0.566 60.760 61.300 0.043 0.000 1.188 130 I CB 1.365 39.386 38.000 0.036 0.000 1.342 130 I HN -0.196 nan 8.210 nan 0.000 0.457 131 K N 4.629 125.087 120.400 0.096 0.000 2.154 131 K HA 0.564 4.883 4.320 -0.000 0.000 0.264 131 K C -0.934 175.822 176.600 0.260 0.000 1.008 131 K CA -0.586 55.813 56.287 0.187 0.000 0.937 131 K CB 1.648 34.174 32.500 0.044 0.000 1.002 131 K HN 0.276 nan 8.250 nan 0.000 0.469 132 V N 3.958 124.044 119.914 0.287 0.000 2.444 132 V HA 0.372 4.492 4.120 -0.000 0.000 0.294 132 V C -0.369 175.884 176.094 0.265 0.000 1.022 132 V CA -0.751 61.666 62.300 0.195 0.000 0.850 132 V CB 1.089 32.903 31.823 -0.016 0.000 0.992 132 V HN 0.586 nan 8.190 nan 0.000 0.426 133 I N 6.018 126.753 120.570 0.275 0.000 2.441 133 I HA 0.565 4.735 4.170 -0.000 0.000 0.295 133 I C -0.175 176.058 176.117 0.193 0.000 0.994 133 I CA -0.598 60.834 61.300 0.220 0.000 1.144 133 I CB 1.832 39.976 38.000 0.240 0.000 1.314 133 I HN 0.623 nan 8.210 nan 0.000 0.445 134 I N 1.362 121.994 120.570 0.104 0.000 2.493 134 I HA 0.544 4.714 4.170 -0.000 0.000 0.298 134 I C -0.390 175.747 176.117 0.033 0.000 0.998 134 I CA -0.681 60.675 61.300 0.094 0.000 1.137 134 I CB 1.582 39.586 38.000 0.006 0.000 1.310 134 I HN 0.392 nan 8.210 nan 0.000 0.445 135 D N 3.851 124.327 120.400 0.127 0.000 2.341 135 D HA 0.318 4.958 4.640 -0.000 0.000 0.245 135 D C -1.599 174.800 176.300 0.165 0.000 1.106 135 D CA 0.380 54.460 54.000 0.133 0.000 0.905 135 D CB 1.308 42.257 40.800 0.247 0.000 1.202 135 D HN 0.483 nan 8.370 nan 0.000 0.426 136 F N 1.247 121.190 119.950 -0.012 0.000 2.607 136 F HA 0.465 4.992 4.527 0.000 0.000 0.322 136 F C -0.973 174.889 175.800 0.103 0.000 1.176 136 F CA -0.825 57.194 58.000 0.032 0.000 0.977 136 F CB 1.702 40.705 39.000 0.006 0.000 1.242 136 F HN 0.279 nan 8.300 nan 0.000 0.465 137 A N 7.424 130.156 122.820 -0.146 0.000 2.938 137 A HA 0.514 4.834 4.320 -0.000 0.000 0.344 137 A C -2.404 175.029 177.584 -0.252 0.000 1.142 137 A CA -1.160 50.815 52.037 -0.104 0.000 0.841 137 A CB -0.216 18.824 19.000 0.066 0.000 1.083 137 A HN 0.430 nan 8.150 nan 0.000 0.479 138 P HA -0.023 nan 4.420 nan 0.000 0.249 138 P C 0.722 177.949 177.300 -0.122 0.000 1.241 138 P CA 0.517 63.382 63.100 -0.392 0.000 0.781 138 P CB 0.059 31.567 31.700 -0.319 0.000 1.088 139 N N 0.721 119.339 118.700 -0.136 0.000 2.354 139 N HA -0.103 4.637 4.740 -0.000 0.000 0.179 139 N C 0.723 176.299 175.510 0.111 0.000 1.021 139 N CA 0.599 53.679 53.050 0.051 0.000 0.887 139 N CB -0.001 38.582 38.487 0.161 0.000 0.974 139 N HN 0.269 nan 8.380 nan 0.000 0.437 140 H N -4.727 114.430 119.070 0.145 0.000 2.918 140 H HA 0.265 4.821 4.556 0.000 0.000 0.303 140 H C -0.114 175.379 175.328 0.275 0.000 1.380 140 H CA -0.136 56.012 56.048 0.167 0.000 1.134 140 H CB 0.689 30.511 29.762 0.100 0.000 1.842 140 H HN 0.036 nan 8.280 nan 0.000 0.533 141 T N -0.679 114.134 114.554 0.431 0.000 3.555 141 T HA 0.335 4.685 4.350 -0.000 0.000 0.201 141 T C 0.721 175.612 174.700 0.319 0.000 0.850 141 T CA 0.851 63.164 62.100 0.354 0.000 1.646 141 T CB -0.548 68.526 68.868 0.343 0.000 1.774 141 T HN 0.829 nan 8.240 nan 0.000 0.447 142 S N 0.674 116.436 115.700 0.103 0.000 2.705 142 S HA 0.669 5.139 4.470 -0.000 0.000 0.280 142 S C -3.326 171.090 174.600 -0.306 0.000 1.174 142 S CA -1.627 56.507 58.200 -0.110 0.000 0.823 142 S CB 0.941 64.069 63.200 -0.120 0.000 1.162 142 S HN 0.276 nan 8.310 nan 0.000 0.487 143 P HA 0.467 nan 4.420 nan 0.000 0.264 143 P C -0.943 176.256 177.300 -0.168 0.000 1.193 143 P CA 0.317 63.227 63.100 -0.317 0.000 0.763 143 P CB 0.339 31.829 31.700 -0.351 0.000 0.810 144 A N 2.419 125.230 122.820 -0.016 0.000 2.566 144 A HA 0.756 5.076 4.320 -0.000 0.000 0.292 144 A C -0.929 176.726 177.584 0.118 0.000 1.112 144 A CA -0.529 51.520 52.037 0.020 0.000 0.707 144 A CB 1.588 20.393 19.000 -0.325 0.000 1.302 144 A HN 0.318 nan 8.150 nan 0.000 0.409 145 S N -0.465 115.364 115.700 0.214 0.000 2.736 145 S HA 0.451 4.921 4.470 -0.000 0.000 0.285 145 S C 0.910 175.626 174.600 0.194 0.000 1.163 145 S CA 0.095 58.365 58.200 0.118 0.000 1.025 145 S CB 1.094 64.292 63.200 -0.003 0.000 1.030 145 S HN 1.126 nan 8.310 nan 0.000 0.486 146 S N 2.551 118.402 115.700 0.252 0.000 2.368 146 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 146 S C 0.751 175.393 174.600 0.069 0.000 1.030 146 S CA 1.110 59.424 58.200 0.190 0.000 0.999 146 S CB -0.331 62.953 63.200 0.140 0.000 0.844 146 S HN 0.855 nan 8.310 nan 0.000 0.459 147 D N 0.633 121.061 120.400 0.046 0.000 2.722 147 D HA 0.254 4.894 4.640 -0.000 0.000 0.239 147 D C 0.049 176.358 176.300 0.016 0.000 1.249 147 D CA -0.081 53.928 54.000 0.015 0.000 0.830 147 D CB 0.063 40.861 40.800 -0.003 0.000 1.025 147 D HN 0.437 nan 8.370 nan 0.000 0.486 148 Q N 0.357 120.182 119.800 0.042 0.000 4.079 148 Q HA 0.158 4.498 4.340 -0.000 0.000 0.178 148 Q C -2.526 173.539 176.000 0.108 0.000 0.810 148 Q CA -0.682 55.155 55.803 0.057 0.000 0.819 148 Q CB 1.333 30.089 28.738 0.029 0.000 1.558 148 Q HN -0.151 nan 8.270 nan 0.000 0.423 149 P HA -0.128 nan 4.420 nan 0.000 0.228 149 P C 0.915 178.255 177.300 0.068 0.000 1.151 149 P CA 1.318 64.461 63.100 0.071 0.000 0.770 149 P CB 0.291 32.015 31.700 0.040 0.000 0.786 150 S N -1.733 114.013 115.700 0.076 0.000 2.489 150 S HA -0.043 4.427 4.470 -0.000 0.000 0.228 150 S C 0.561 175.207 174.600 0.077 0.000 0.995 150 S CA -0.296 57.940 58.200 0.061 0.000 0.934 150 S CB -1.203 62.028 63.200 0.050 0.000 0.771 150 S HN 0.045 nan 8.310 nan 0.000 0.522 151 F N 3.759 123.686 119.950 -0.038 0.000 2.504 151 F HA 0.528 5.055 4.527 0.000 0.000 0.369 151 F C 0.923 176.673 175.800 -0.083 0.000 1.082 151 F CA -0.351 57.609 58.000 -0.066 0.000 1.216 151 F CB 0.013 38.970 39.000 -0.072 0.000 1.108 151 F HN 0.509 nan 8.300 nan 0.000 0.554 152 A N 4.788 127.047 122.820 -0.935 0.000 5.584 152 A HA -0.345 3.975 4.320 -0.000 0.000 0.303 152 A C 0.999 178.372 177.584 -0.352 0.000 1.923 152 A CA 1.473 53.033 52.037 -0.795 0.000 0.717 152 A CB -1.498 16.785 19.000 -1.194 0.000 1.281 152 A HN 0.837 nan 8.150 nan 0.000 0.379 153 E N 1.055 121.094 120.200 -0.268 0.000 2.569 153 E HA 0.237 4.587 4.350 -0.000 0.000 0.205 153 E C 0.477 177.040 176.600 -0.061 0.000 1.006 153 E CA 0.375 56.722 56.400 -0.089 0.000 0.985 153 E CB -0.025 29.680 29.700 0.009 0.000 1.060 153 E HN 0.666 nan 8.360 nan 0.000 0.460 154 N N 0.562 119.196 118.700 -0.109 0.000 2.714 154 N HA -0.239 4.501 4.740 -0.000 0.000 0.250 154 N C 0.715 176.169 175.510 -0.095 0.000 1.117 154 N CA 0.378 53.402 53.050 -0.043 0.000 0.719 154 N CB -0.813 37.682 38.487 0.013 0.000 1.081 154 N HN 0.534 nan 8.380 nan 0.000 0.557 155 G N 0.223 108.935 108.800 -0.146 0.000 2.203 155 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.263 155 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.263 155 G C 0.183 175.072 174.900 -0.019 0.000 1.012 155 G CA 0.779 45.776 45.100 -0.171 0.000 0.749 155 G HN 0.649 nan 8.290 nan 0.000 0.512 156 R N -0.975 119.553 120.500 0.046 0.000 2.583 156 R HA 0.275 4.615 4.340 -0.000 0.000 0.274 156 R C 0.218 176.610 176.300 0.154 0.000 0.998 156 R CA -0.075 56.074 56.100 0.081 0.000 1.081 156 R CB 0.391 30.693 30.300 0.003 0.000 0.940 156 R HN 0.282 nan 8.270 nan 0.000 0.413 157 L N 4.535 125.805 121.223 0.077 0.000 2.305 157 L HA 0.360 4.700 4.340 -0.000 0.000 0.284 157 L C -1.478 175.297 176.870 -0.158 0.000 1.013 157 L CA -0.392 54.487 54.840 0.064 0.000 0.819 157 L CB 0.880 42.942 42.059 0.006 0.000 1.227 157 L HN 0.386 nan 8.230 nan 0.000 0.417 158 Y N 2.306 122.636 120.300 0.050 0.000 2.446 158 Y HA 0.475 5.025 4.550 -0.000 0.000 0.338 158 Y C -0.310 175.648 175.900 0.097 0.000 1.055 158 Y CA -0.774 57.359 58.100 0.055 0.000 1.101 158 Y CB 1.611 40.130 38.460 0.099 0.000 1.221 158 Y HN 0.530 nan 8.280 nan 0.000 0.460 159 D N 2.365 122.922 120.400 0.262 0.000 2.462 159 D HA 0.117 4.756 4.640 -0.000 0.000 0.249 159 D C -0.143 176.347 176.300 0.318 0.000 1.117 159 D CA -0.185 54.040 54.000 0.375 0.000 0.900 159 D CB -0.212 40.736 40.800 0.247 0.000 1.039 159 D HN 0.731 nan 8.370 nan 0.000 0.516 160 N N 3.229 122.121 118.700 0.320 0.000 2.727 160 N HA -0.288 4.452 4.740 -0.000 0.000 0.249 160 N C 0.878 176.488 175.510 0.167 0.000 1.048 160 N CA 0.799 53.971 53.050 0.203 0.000 0.714 160 N CB -0.869 37.709 38.487 0.151 0.000 0.959 160 N HN 0.753 nan 8.380 nan 0.000 0.544 161 G N -1.877 107.041 108.800 0.197 0.000 2.258 161 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.233 161 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.233 161 G C 0.165 175.237 174.900 0.287 0.000 1.006 161 G CA 0.372 45.568 45.100 0.161 0.000 0.620 161 G HN 0.466 nan 8.290 nan 0.000 0.511 162 T N 2.558 117.266 114.554 0.256 0.000 2.737 162 T HA 0.500 4.850 4.350 -0.000 0.000 0.296 162 T C 0.287 175.087 174.700 0.168 0.000 0.922 162 T CA -0.153 62.067 62.100 0.200 0.000 1.079 162 T CB 1.591 70.530 68.868 0.119 0.000 0.892 162 T HN 0.689 nan 8.240 nan 0.000 0.514 163 L N 5.358 126.629 121.223 0.081 0.000 2.513 163 L HA 0.151 4.491 4.340 -0.000 0.000 0.272 163 L C 0.734 177.483 176.870 -0.202 0.000 1.187 163 L CA 0.503 55.165 54.840 -0.298 0.000 0.895 163 L CB -0.064 41.805 42.059 -0.316 0.000 1.147 163 L HN 0.708 nan 8.230 nan 0.000 0.483 164 L N 4.613 125.679 121.223 -0.262 0.000 2.221 164 L HA 0.451 4.791 4.340 -0.000 0.000 0.202 164 L C 1.097 177.875 176.870 -0.154 0.000 1.074 164 L CA 0.550 55.275 54.840 -0.193 0.000 0.795 164 L CB -0.373 41.530 42.059 -0.261 0.000 0.960 164 L HN 0.883 nan 8.230 nan 0.000 0.458 165 G N -1.443 107.266 108.800 -0.152 0.000 2.321 165 G HA2 0.413 4.373 3.960 -0.000 0.000 0.298 165 G HA3 0.413 4.373 3.960 -0.000 0.000 0.298 165 G C -1.439 173.515 174.900 0.090 0.000 1.385 165 G CA -0.196 44.883 45.100 -0.035 0.000 0.856 165 G HN 0.171 nan 8.290 nan 0.000 0.584 166 G N -2.036 106.854 108.800 0.150 0.000 3.042 166 G HA2 0.521 4.481 3.960 -0.000 0.000 0.278 166 G HA3 0.521 4.481 3.960 -0.000 0.000 0.278 166 G C 0.202 175.180 174.900 0.131 0.000 1.371 166 G CA -0.247 44.937 45.100 0.140 0.000 1.009 166 G HN 0.696 nan 8.290 nan 0.000 0.523 167 Y N 0.222 120.359 120.300 -0.271 0.000 2.293 167 Y HA 0.096 4.646 4.550 -0.000 0.000 0.291 167 Y C 1.834 177.735 175.900 0.001 0.000 1.137 167 Y CA 1.316 59.234 58.100 -0.303 0.000 1.202 167 Y CB 0.020 38.242 38.460 -0.396 0.000 0.990 167 Y HN 0.293 nan 8.280 nan 0.000 0.537 168 T N 2.260 116.825 114.554 0.018 0.000 2.856 168 T HA 0.091 4.441 4.350 -0.000 0.000 0.292 168 T C -0.087 174.582 174.700 -0.051 0.000 0.980 168 T CA -0.328 61.752 62.100 -0.033 0.000 1.091 168 T CB 0.331 69.204 68.868 0.010 0.000 0.936 168 T HN 0.287 nan 8.240 nan 0.000 0.503 169 N N 2.042 120.681 118.700 -0.101 0.000 2.758 169 N HA -0.146 4.594 4.740 -0.000 0.000 0.248 169 N C -0.587 174.877 175.510 -0.076 0.000 1.076 169 N CA 0.402 53.397 53.050 -0.091 0.000 0.696 169 N CB -0.805 37.650 38.487 -0.053 0.000 0.979 169 N HN 0.726 nan 8.380 nan 0.000 0.550 170 D N 0.252 120.587 120.400 -0.108 0.000 2.688 170 D HA 0.120 4.760 4.640 -0.000 0.000 0.228 170 D C 1.583 177.842 176.300 -0.069 0.000 1.116 170 D CA 0.460 54.452 54.000 -0.013 0.000 1.023 170 D CB -0.012 40.898 40.800 0.184 0.000 1.100 170 D HN 0.391 nan 8.370 nan 0.000 0.487 171 T N -1.107 113.407 114.554 -0.067 0.000 2.915 171 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 171 T C 1.669 176.337 174.700 -0.053 0.000 1.071 171 T CA 0.963 63.020 62.100 -0.071 0.000 1.132 171 T CB -0.143 68.689 68.868 -0.059 0.000 0.878 171 T HN 0.290 nan 8.240 nan 0.000 0.479 172 Q N 0.807 120.583 119.800 -0.041 0.000 2.297 172 Q HA 0.097 4.437 4.340 -0.000 0.000 0.204 172 Q C 0.501 176.470 176.000 -0.052 0.000 0.962 172 Q CA 0.185 55.958 55.803 -0.050 0.000 0.879 172 Q CB -0.051 28.648 28.738 -0.065 0.000 0.947 172 Q HN 0.635 nan 8.270 nan 0.000 0.462 173 N N -0.316 118.372 118.700 -0.021 0.000 2.783 173 N HA -0.176 4.564 4.740 -0.000 0.000 0.247 173 N C 0.176 175.628 175.510 -0.096 0.000 1.089 173 N CA -0.184 52.868 53.050 0.002 0.000 0.690 173 N CB -0.847 37.632 38.487 -0.013 0.000 0.991 173 N HN 0.264 nan 8.380 nan 0.000 0.552 174 L N -0.993 120.132 121.223 -0.164 0.000 2.313 174 L HA 0.097 4.437 4.340 -0.000 0.000 0.214 174 L C 0.542 176.978 176.870 -0.724 0.000 1.119 174 L CA 1.066 55.614 54.840 -0.488 0.000 0.809 174 L CB -0.089 41.550 42.059 -0.700 0.000 0.933 174 L HN 0.121 nan 8.230 nan 0.000 0.449 175 F N -2.540 117.322 119.950 -0.146 0.000 2.618 175 F HA 0.383 4.910 4.527 -0.000 0.000 0.332 175 F C 0.293 175.889 175.800 -0.340 0.000 1.061 175 F CA -1.000 56.856 58.000 -0.241 0.000 0.974 175 F CB 0.814 39.784 39.000 -0.050 0.000 1.310 175 F HN -0.230 nan 8.300 nan 0.000 0.491 176 H N 0.119 119.204 119.070 0.024 0.000 2.525 176 H HA 0.308 4.864 4.556 0.000 0.000 0.339 176 H C -0.574 174.578 175.328 -0.293 0.000 1.109 176 H CA -0.347 55.669 56.048 -0.054 0.000 1.352 176 H CB 0.670 30.455 29.762 0.038 0.000 1.461 176 H HN 0.449 nan 8.280 nan 0.000 0.533 177 H N 2.737 121.931 119.070 0.207 0.000 2.551 177 H HA 0.139 4.695 4.556 -0.000 0.000 0.238 177 H C -0.109 175.250 175.328 0.051 0.000 1.345 177 H CA -0.235 55.866 56.048 0.088 0.000 1.105 177 H CB 0.225 29.947 29.762 -0.067 0.000 1.805 177 H HN 0.664 nan 8.280 nan 0.000 0.553 178 N N 0.880 119.642 118.700 0.103 0.000 2.234 178 N HA 0.156 4.896 4.740 -0.000 0.000 0.227 178 N C 1.158 176.667 175.510 -0.001 0.000 1.151 178 N CA 0.582 53.645 53.050 0.022 0.000 0.865 178 N CB 2.044 40.514 38.487 -0.030 0.000 1.066 178 N HN 0.673 nan 8.380 nan 0.000 0.515 179 G N -0.160 108.657 108.800 0.028 0.000 2.615 179 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.218 179 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.218 179 G C -0.216 174.652 174.900 -0.053 0.000 1.339 179 G CA -0.530 44.566 45.100 -0.008 0.000 0.884 179 G HN 0.414 nan 8.290 nan 0.000 0.559 180 G N -1.139 107.606 108.800 -0.090 0.000 2.420 180 G HA2 0.724 4.684 3.960 -0.000 0.000 0.331 180 G HA3 0.724 4.684 3.960 -0.000 0.000 0.331 180 G C -0.032 174.741 174.900 -0.211 0.000 1.168 180 G CA 0.958 45.964 45.100 -0.156 0.000 0.936 180 G HN 1.283 nan 8.290 nan 0.000 0.479 181 T N -0.791 113.553 114.554 -0.350 0.000 2.904 181 T HA 0.315 4.665 4.350 -0.000 0.000 0.290 181 T C 0.669 175.087 174.700 -0.471 0.000 1.018 181 T CA -0.090 61.738 62.100 -0.452 0.000 1.075 181 T CB 1.018 69.480 68.868 -0.677 0.000 0.986 181 T HN 0.593 nan 8.240 nan 0.000 0.523 182 D N 2.100 122.312 120.400 -0.314 0.000 2.431 182 D HA 0.065 4.705 4.640 -0.000 0.000 0.213 182 D C 0.499 176.856 176.300 0.095 0.000 1.130 182 D CA -0.354 53.597 54.000 -0.082 0.000 0.834 182 D CB -0.629 40.163 40.800 -0.013 0.000 0.985 182 D HN 0.624 nan 8.370 nan 0.000 0.504 183 F N 0.554 120.460 119.950 -0.073 0.000 3.006 183 F HA -0.315 4.212 4.527 -0.000 0.000 0.289 183 F C 1.902 177.674 175.800 -0.046 0.000 0.772 183 F CA 0.700 58.667 58.000 -0.055 0.000 1.162 183 F CB -2.589 36.383 39.000 -0.047 0.000 1.382 183 F HN 0.166 nan 8.300 nan 0.000 0.406 184 S N -1.290 114.444 115.700 0.057 0.000 2.402 184 S HA 0.051 4.521 4.470 -0.000 0.000 0.229 184 S C 0.957 175.565 174.600 0.014 0.000 1.021 184 S CA 1.204 59.425 58.200 0.035 0.000 0.974 184 S CB -0.015 63.187 63.200 0.003 0.000 0.800 184 S HN 0.739 nan 8.310 nan 0.000 0.484 185 T N -3.438 111.100 114.554 -0.026 0.000 2.883 185 T HA 0.496 4.846 4.350 -0.000 0.000 0.301 185 T C 0.633 175.277 174.700 -0.093 0.000 1.158 185 T CA -0.196 61.879 62.100 -0.041 0.000 1.007 185 T CB 1.274 70.102 68.868 -0.066 0.000 1.186 185 T HN -0.072 nan 8.240 nan 0.000 0.499 186 T N 0.648 115.155 114.554 -0.080 0.000 2.720 186 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 186 T C 1.629 176.130 174.700 -0.332 0.000 1.037 186 T CA 1.935 63.945 62.100 -0.150 0.000 1.144 186 T CB -0.434 68.449 68.868 0.024 0.000 0.864 186 T HN 0.841 nan 8.240 nan 0.000 0.444 187 E N 1.202 121.114 120.200 -0.480 0.000 2.077 187 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 187 E C 2.324 178.734 176.600 -0.316 0.000 0.989 187 E CA 1.028 56.994 56.400 -0.722 0.000 0.800 187 E CB -0.203 28.939 29.700 -0.931 0.000 0.746 187 E HN 0.364 nan 8.360 nan 0.000 0.452 188 N N 0.240 118.799 118.700 -0.236 0.000 2.104 188 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 188 N C 1.926 177.301 175.510 -0.224 0.000 1.024 188 N CA 1.636 54.577 53.050 -0.182 0.000 0.853 188 N CB -0.392 38.001 38.487 -0.155 0.000 1.008 188 N HN 0.273 nan 8.380 nan 0.000 0.424 189 G N 0.342 108.996 108.800 -0.242 0.000 2.534 189 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.217 189 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.217 189 G C 1.731 176.546 174.900 -0.143 0.000 1.128 189 G CA 0.109 45.088 45.100 -0.202 0.000 0.784 189 G HN 0.317 nan 8.290 nan 0.000 0.542 190 I N -1.141 119.234 120.570 -0.324 0.000 2.429 190 I HA 0.031 4.201 4.170 -0.000 0.000 0.247 190 I C 1.734 177.495 176.117 -0.594 0.000 1.099 190 I CA 0.632 61.630 61.300 -0.504 0.000 1.422 190 I CB 0.075 37.596 38.000 -0.798 0.000 1.112 190 I HN 0.107 nan 8.210 nan 0.000 0.430 191 Y N 1.123 121.269 120.300 -0.257 0.000 2.466 191 Y HA 0.204 4.754 4.550 -0.000 0.000 0.272 191 Y C 0.713 176.410 175.900 -0.338 0.000 1.169 191 Y CA 0.010 57.858 58.100 -0.420 0.000 1.285 191 Y CB -0.166 38.061 38.460 -0.389 0.000 1.078 191 Y HN -0.042 nan 8.280 nan 0.000 0.523 192 K N 0.400 120.713 120.400 -0.145 0.000 2.238 192 K HA 0.288 4.608 4.320 -0.000 0.000 0.239 192 K C -0.632 175.869 176.600 -0.164 0.000 0.987 192 K CA -1.180 55.027 56.287 -0.133 0.000 0.857 192 K CB 0.911 33.312 32.500 -0.165 0.000 1.154 192 K HN -0.109 nan 8.250 nan 0.000 0.439 193 N N 1.310 119.915 118.700 -0.158 0.000 2.508 193 N HA 0.094 4.834 4.740 -0.000 0.000 0.264 193 N C -0.395 174.893 175.510 -0.371 0.000 1.216 193 N CA -0.027 52.895 53.050 -0.214 0.000 0.943 193 N CB 0.415 38.778 38.487 -0.206 0.000 1.113 193 N HN 0.354 nan 8.380 nan 0.000 0.447 194 L N 4.193 125.145 121.223 -0.451 0.000 2.342 194 L HA 0.106 4.446 4.340 -0.000 0.000 0.285 194 L C -0.020 176.494 176.870 -0.595 0.000 1.095 194 L CA -0.088 54.300 54.840 -0.754 0.000 0.843 194 L CB -0.524 41.088 42.059 -0.745 0.000 1.201 194 L HN 0.529 nan 8.230 nan 0.000 0.445 195 Y N 1.358 121.529 120.300 -0.215 0.000 2.887 195 Y HA -0.404 4.146 4.550 -0.000 0.000 0.467 195 Y C 1.262 177.053 175.900 -0.182 0.000 1.191 195 Y CA 0.894 58.895 58.100 -0.166 0.000 2.537 195 Y CB -1.136 37.235 38.460 -0.148 0.000 1.225 195 Y HN 0.817 nan 8.280 nan 0.000 0.630 196 D N 0.932 121.353 120.400 0.035 0.000 2.424 196 D HA 0.278 4.918 4.640 -0.000 0.000 0.220 196 D C -0.278 175.917 176.300 -0.174 0.000 1.150 196 D CA 0.040 53.993 54.000 -0.078 0.000 0.831 196 D CB -0.686 40.112 40.800 -0.004 0.000 0.981 196 D HN 0.418 nan 8.370 nan 0.000 0.500 197 L N 1.208 122.313 121.223 -0.197 0.000 2.361 197 L HA 0.415 4.755 4.340 -0.000 0.000 0.278 197 L C 0.741 177.435 176.870 -0.294 0.000 1.113 197 L CA -0.954 53.733 54.840 -0.254 0.000 0.849 197 L CB 0.824 42.668 42.059 -0.359 0.000 1.155 197 L HN 0.008 nan 8.230 nan 0.000 0.452 198 A N 2.761 125.359 122.820 -0.371 0.000 2.526 198 A HA -0.008 4.312 4.320 -0.000 0.000 0.267 198 A C 0.012 177.587 177.584 -0.014 0.000 1.095 198 A CA -0.178 51.539 52.037 -0.533 0.000 0.775 198 A CB -0.374 18.135 19.000 -0.818 0.000 1.036 198 A HN 0.732 nan 8.150 nan 0.000 0.510 199 D N 2.672 123.095 120.400 0.038 0.000 2.339 199 D HA 0.346 4.986 4.640 -0.000 0.000 0.256 199 D C 0.113 176.525 176.300 0.187 0.000 1.214 199 D CA 0.201 54.302 54.000 0.169 0.000 0.877 199 D CB 0.262 41.168 40.800 0.176 0.000 1.111 199 D HN 0.485 nan 8.370 nan 0.000 0.478 200 L N 3.506 124.750 121.223 0.035 0.000 2.456 200 L HA 0.090 4.430 4.340 -0.000 0.000 0.272 200 L C 0.787 177.217 176.870 -0.733 0.000 1.189 200 L CA -0.183 54.421 54.840 -0.394 0.000 0.846 200 L CB 0.304 42.034 42.059 -0.548 0.000 1.111 200 L HN 0.406 nan 8.230 nan 0.000 0.475 201 N N 1.216 119.405 118.700 -0.852 0.000 2.521 201 N HA 0.089 4.829 4.740 -0.000 0.000 0.236 201 N C 0.521 175.637 175.510 -0.657 0.000 1.067 201 N CA -0.185 52.352 53.050 -0.854 0.000 0.939 201 N CB 0.358 38.474 38.487 -0.618 0.000 1.201 201 N HN 0.418 nan 8.380 nan 0.000 0.511 202 H N 1.167 119.966 119.070 -0.451 0.000 2.559 202 H HA 0.008 4.564 4.556 -0.000 0.000 0.273 202 H C 1.046 176.204 175.328 -0.283 0.000 1.000 202 H CA 0.664 56.320 56.048 -0.653 0.000 1.195 202 H CB 0.234 29.176 29.762 -1.367 0.000 1.368 202 H HN 0.529 nan 8.280 nan 0.000 0.592 203 N N 0.462 119.149 118.700 -0.021 0.000 2.412 203 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 203 N C -0.023 175.500 175.510 0.022 0.000 1.101 203 N CA -0.088 53.011 53.050 0.082 0.000 0.881 203 N CB 0.183 38.763 38.487 0.155 0.000 0.969 203 N HN 0.176 nan 8.380 nan 0.000 0.459 204 N N 0.197 118.853 118.700 -0.073 0.000 2.422 204 N HA 0.053 4.793 4.740 -0.000 0.000 0.264 204 N C 0.193 175.684 175.510 -0.031 0.000 1.063 204 N CA 0.146 53.150 53.050 -0.077 0.000 0.959 204 N CB 1.219 39.607 38.487 -0.166 0.000 1.087 204 N HN 0.000 nan 8.380 nan 0.000 0.483 205 S N 2.492 118.200 115.700 0.013 0.000 2.374 205 S HA -0.146 4.324 4.470 -0.000 0.000 0.227 205 S C 1.602 176.231 174.600 0.050 0.000 1.037 205 S CA 1.775 60.007 58.200 0.053 0.000 1.024 205 S CB -0.136 63.096 63.200 0.053 0.000 0.861 205 S HN 0.727 nan 8.310 nan 0.000 0.456 206 T N 1.907 116.463 114.554 0.002 0.000 2.708 206 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 206 T C 1.946 176.657 174.700 0.018 0.000 1.037 206 T CA 1.378 63.478 62.100 0.001 0.000 1.146 206 T CB -0.457 68.375 68.868 -0.060 0.000 0.865 206 T HN 0.198 nan 8.240 nan 0.000 0.435 207 V N 1.751 121.618 119.914 -0.078 0.000 2.295 207 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 207 V C 2.373 178.505 176.094 0.063 0.000 1.049 207 V CA 2.164 64.395 62.300 -0.114 0.000 1.024 207 V CB -0.704 30.903 31.823 -0.361 0.000 0.648 207 V HN 0.530 nan 8.190 nan 0.000 0.447 208 D N 0.119 120.581 120.400 0.103 0.000 2.087 208 D HA -0.181 4.459 4.640 -0.000 0.000 0.192 208 D C 2.007 178.523 176.300 0.360 0.000 0.993 208 D CA 2.012 56.224 54.000 0.353 0.000 0.828 208 D CB -0.217 40.810 40.800 0.378 0.000 0.968 208 D HN 0.172 nan 8.370 nan 0.000 0.448 209 V N -0.188 119.868 119.914 0.237 0.000 2.343 209 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 209 V C 2.179 178.395 176.094 0.203 0.000 1.051 209 V CA 1.998 64.412 62.300 0.190 0.000 1.036 209 V CB -0.950 30.953 31.823 0.133 0.000 0.654 209 V HN 0.361 nan 8.190 nan 0.000 0.451 210 Y N 0.559 120.917 120.300 0.097 0.000 2.128 210 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 210 Y C 2.219 178.208 175.900 0.150 0.000 1.154 210 Y CA 1.816 59.973 58.100 0.095 0.000 1.149 210 Y CB -0.313 38.175 38.460 0.047 0.000 0.976 210 Y HN 0.147 nan 8.280 nan 0.000 0.505 211 L N 0.084 121.422 121.223 0.190 0.000 2.046 211 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 211 L C 2.422 179.503 176.870 0.351 0.000 1.077 211 L CA 1.807 56.768 54.840 0.203 0.000 0.747 211 L CB -0.512 41.774 42.059 0.379 0.000 0.896 211 L HN 0.171 nan 8.230 nan 0.000 0.432 212 K N -0.333 120.262 120.400 0.324 0.000 2.097 212 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 212 K C 1.715 178.311 176.600 -0.007 0.000 1.050 212 K CA 1.305 57.680 56.287 0.147 0.000 0.938 212 K CB -0.106 32.444 32.500 0.083 0.000 0.718 212 K HN 0.218 nan 8.250 nan 0.000 0.442 213 D N 0.616 121.005 120.400 -0.018 0.000 2.144 213 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 213 D C 1.842 178.090 176.300 -0.087 0.000 0.978 213 D CA 1.132 55.082 54.000 -0.083 0.000 0.833 213 D CB -0.128 40.638 40.800 -0.058 0.000 0.961 213 D HN 0.184 nan 8.370 nan 0.000 0.470 214 A N 0.882 123.653 122.820 -0.082 0.000 1.877 214 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 214 A C 2.228 179.938 177.584 0.210 0.000 1.186 214 A CA 1.000 53.064 52.037 0.045 0.000 0.620 214 A CB -0.720 18.324 19.000 0.073 0.000 0.822 214 A HN 0.202 nan 8.150 nan 0.000 0.443 215 I N -0.111 120.559 120.570 0.167 0.000 2.286 215 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 215 I C 2.128 178.247 176.117 0.003 0.000 1.115 215 I CA 1.672 62.972 61.300 -0.000 0.000 1.392 215 I CB -0.313 37.583 38.000 -0.173 0.000 1.065 215 I HN 0.277 nan 8.210 nan 0.000 0.418 216 K N -0.446 119.906 120.400 -0.079 0.000 2.103 216 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 216 K C 2.168 178.736 176.600 -0.053 0.000 1.048 216 K CA 1.949 58.161 56.287 -0.126 0.000 0.930 216 K CB -0.331 31.939 32.500 -0.384 0.000 0.716 216 K HN 0.419 nan 8.250 nan 0.000 0.444 217 M N -0.337 119.192 119.600 -0.118 0.000 2.086 217 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 217 M C 1.371 177.488 176.300 -0.304 0.000 1.067 217 M CA 1.848 56.999 55.300 -0.250 0.000 1.116 217 M CB -0.185 32.171 32.600 -0.407 0.000 1.348 217 M HN 0.200 nan 8.290 nan 0.000 0.407 218 W N 0.704 121.977 121.300 -0.045 0.000 2.363 218 W HA -0.116 4.544 4.660 0.000 0.000 0.296 218 W C 2.071 178.607 176.519 0.029 0.000 1.212 218 W CA 0.819 58.132 57.345 -0.054 0.000 1.260 218 W CB -0.646 28.749 29.460 -0.108 0.000 1.131 218 W HN 0.208 nan 8.180 nan 0.000 0.530 219 L N -0.094 121.249 121.223 0.200 0.000 2.083 219 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 219 L C 1.888 178.858 176.870 0.167 0.000 1.083 219 L CA 1.211 56.164 54.840 0.188 0.000 0.752 219 L CB -0.762 41.425 42.059 0.213 0.000 0.899 219 L HN -0.088 nan 8.230 nan 0.000 0.433 220 D N -0.000 120.485 120.400 0.142 0.000 2.264 220 D HA -0.092 4.548 4.640 -0.000 0.000 0.208 220 D C 2.201 178.549 176.300 0.080 0.000 0.966 220 D CA 0.984 55.046 54.000 0.103 0.000 0.864 220 D CB 0.024 40.868 40.800 0.073 0.000 0.933 220 D HN 0.303 nan 8.370 nan 0.000 0.499 221 L N -0.689 120.590 121.223 0.093 0.000 2.554 221 L HA 0.130 4.470 4.340 -0.000 0.000 0.226 221 L C 1.411 178.420 176.870 0.232 0.000 1.137 221 L CA 0.496 55.431 54.840 0.159 0.000 0.863 221 L CB 0.050 42.214 42.059 0.176 0.000 0.985 221 L HN 0.135 nan 8.230 nan 0.000 0.451 222 G N 0.884 109.811 108.800 0.212 0.000 2.134 222 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.209 222 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.209 222 G C 0.395 175.449 174.900 0.257 0.000 0.993 222 G CA 0.062 45.289 45.100 0.212 0.000 0.669 222 G HN 0.398 nan 8.290 nan 0.000 0.519 223 I N -2.336 118.411 120.570 0.295 0.000 2.892 223 I HA 0.394 4.564 4.170 -0.000 0.000 0.287 223 I C 0.646 176.926 176.117 0.271 0.000 1.205 223 I CA 0.155 61.629 61.300 0.289 0.000 1.409 223 I CB 0.550 38.736 38.000 0.311 0.000 1.367 223 I HN -0.081 nan 8.210 nan 0.000 0.597 224 D N 3.188 123.777 120.400 0.316 0.000 2.389 224 D HA 0.272 4.912 4.640 -0.000 0.000 0.206 224 D C 0.619 177.187 176.300 0.447 0.000 1.055 224 D CA 0.452 54.683 54.000 0.385 0.000 0.856 224 D CB 1.163 42.232 40.800 0.448 0.000 0.957 224 D HN 0.861 nan 8.370 nan 0.000 0.509 225 G N 0.243 109.216 108.800 0.289 0.000 2.523 225 G HA2 0.551 4.511 3.960 -0.000 0.000 0.291 225 G HA3 0.551 4.511 3.960 -0.000 0.000 0.291 225 G C -1.810 173.087 174.900 -0.004 0.000 1.450 225 G CA -0.716 44.462 45.100 0.129 0.000 0.790 225 G HN -0.008 nan 8.290 nan 0.000 0.496 226 I N 0.449 120.919 120.570 -0.167 0.000 2.533 226 I HA 0.499 4.669 4.170 -0.000 0.000 0.290 226 I C -0.264 175.425 176.117 -0.712 0.000 1.056 226 I CA -0.960 60.168 61.300 -0.286 0.000 1.057 226 I CB 2.412 40.315 38.000 -0.162 0.000 1.240 226 I HN 0.307 nan 8.210 nan 0.000 0.423 227 R N 7.536 127.541 120.500 -0.825 0.000 2.239 227 R HA 0.458 4.798 4.340 -0.000 0.000 0.332 227 R C -1.235 174.767 176.300 -0.496 0.000 0.988 227 R CA -0.592 54.738 56.100 -1.284 0.000 0.859 227 R CB 0.957 30.246 30.300 -1.685 0.000 1.148 227 R HN 0.591 nan 8.270 nan 0.000 0.482 228 M N 3.396 122.790 119.600 -0.344 0.000 2.120 228 M HA 0.123 4.603 4.480 -0.000 0.000 0.354 228 M C 0.226 176.545 176.300 0.032 0.000 1.287 228 M CA -0.144 55.130 55.300 -0.042 0.000 1.103 228 M CB 0.806 33.424 32.600 0.030 0.000 1.623 228 M HN 0.448 nan 8.290 nan 0.000 0.471 229 D N 3.120 123.585 120.400 0.108 0.000 2.345 229 D HA 0.280 4.920 4.640 -0.000 0.000 0.247 229 D C 0.198 176.577 176.300 0.133 0.000 1.108 229 D CA 0.350 54.445 54.000 0.158 0.000 0.894 229 D CB 1.001 41.945 40.800 0.239 0.000 1.203 229 D HN 0.842 nan 8.370 nan 0.000 0.430 230 A N 2.913 125.823 122.820 0.151 0.000 2.610 230 A HA -0.199 4.121 4.320 -0.000 0.000 0.299 230 A C 1.476 179.118 177.584 0.096 0.000 1.487 230 A CA 0.959 53.105 52.037 0.182 0.000 0.743 230 A CB -2.327 16.805 19.000 0.218 0.000 1.070 230 A HN 0.919 nan 8.150 nan 0.000 0.439 231 V N -1.972 117.956 119.914 0.023 0.000 2.759 231 V HA -0.102 4.018 4.120 -0.000 0.000 0.256 231 V C 1.833 177.756 176.094 -0.286 0.000 1.080 231 V CA 2.436 64.702 62.300 -0.057 0.000 1.101 231 V CB -0.569 31.252 31.823 -0.003 0.000 0.698 231 V HN 0.664 nan 8.190 nan 0.000 0.477 232 K N -0.749 119.318 120.400 -0.556 0.000 2.486 232 K HA -0.035 4.285 4.320 -0.000 0.000 0.194 232 K C 1.482 177.604 176.600 -0.796 0.000 1.033 232 K CA 0.688 56.357 56.287 -1.029 0.000 1.004 232 K CB -0.096 31.412 32.500 -1.653 0.000 0.798 232 K HN 0.691 nan 8.250 nan 0.000 0.495 233 H N -0.811 118.117 119.070 -0.237 0.000 2.549 233 H HA 0.220 4.776 4.556 -0.000 0.000 0.279 233 H C -0.076 175.129 175.328 -0.205 0.000 1.018 233 H CA 0.131 56.047 56.048 -0.221 0.000 1.175 233 H CB 0.335 29.995 29.762 -0.171 0.000 1.485 233 H HN 0.120 nan 8.280 nan 0.000 0.543 234 M N 0.984 120.529 119.600 -0.091 0.000 2.591 234 M HA 0.351 4.831 4.480 -0.000 0.000 0.306 234 M C -2.606 173.647 176.300 -0.079 0.000 1.190 234 M CA -2.038 53.194 55.300 -0.114 0.000 0.889 234 M CB 2.707 35.248 32.600 -0.099 0.000 1.728 234 M HN -0.233 nan 8.290 nan 0.000 0.458 235 P HA -0.006 nan 4.420 nan 0.000 0.263 235 P C -0.031 177.410 177.300 0.234 0.000 1.195 235 P CA 0.107 63.172 63.100 -0.059 0.000 0.762 235 P CB 0.085 31.849 31.700 0.105 0.000 0.799 236 F N 2.531 122.599 119.950 0.196 0.000 2.126 236 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 236 F C 2.524 178.453 175.800 0.216 0.000 1.096 236 F CA 1.698 59.908 58.000 0.351 0.000 1.255 236 F CB -2.216 37.053 39.000 0.447 0.000 0.997 236 F HN 0.365 nan 8.300 nan 0.000 0.479 237 G N -1.333 107.631 108.800 0.273 0.000 2.422 237 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 237 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 237 G C 1.584 176.608 174.900 0.208 0.000 1.146 237 G CA 0.611 45.828 45.100 0.196 0.000 0.769 237 G HN 0.485 nan 8.290 nan 0.000 0.547 238 W N 1.327 122.698 121.300 0.119 0.000 2.358 238 W HA -0.069 4.591 4.660 -0.000 0.000 0.303 238 W C 2.798 179.404 176.519 0.145 0.000 1.208 238 W CA 1.682 59.100 57.345 0.121 0.000 1.274 238 W CB -0.092 29.416 29.460 0.080 0.000 1.138 238 W HN 0.284 nan 8.180 nan 0.000 0.515 239 Q N 0.237 120.137 119.800 0.166 0.000 2.124 239 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 239 Q C 2.197 178.163 176.000 -0.056 0.000 0.977 239 Q CA 1.916 57.735 55.803 0.026 0.000 0.850 239 Q CB -0.473 28.478 28.738 0.355 0.000 0.901 239 Q HN 0.361 nan 8.270 nan 0.000 0.429 240 K N 0.851 121.241 120.400 -0.016 0.000 2.057 240 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 240 K C 2.305 178.840 176.600 -0.108 0.000 1.049 240 K CA 1.681 57.930 56.287 -0.064 0.000 0.931 240 K CB -0.150 32.336 32.500 -0.023 0.000 0.714 240 K HN 0.193 nan 8.250 nan 0.000 0.440 241 S N -0.079 115.530 115.700 -0.150 0.000 2.399 241 S HA -0.187 4.283 4.470 -0.000 0.000 0.231 241 S C 1.901 176.340 174.600 -0.269 0.000 1.022 241 S CA 0.929 59.018 58.200 -0.185 0.000 0.983 241 S CB -0.625 62.484 63.200 -0.152 0.000 0.803 241 S HN 0.460 nan 8.310 nan 0.000 0.480 242 F N 1.956 121.538 119.950 -0.612 0.000 2.113 242 F HA 0.086 4.613 4.527 0.000 0.000 0.297 242 F C 2.290 177.919 175.800 -0.285 0.000 1.103 242 F CA 1.404 59.059 58.000 -0.574 0.000 1.248 242 F CB -0.271 38.195 39.000 -0.890 0.000 0.999 242 F HN 0.111 nan 8.300 nan 0.000 0.475 243 M N 0.471 120.001 119.600 -0.115 0.000 2.213 243 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 243 M C 2.474 178.670 176.300 -0.173 0.000 1.062 243 M CA 1.469 56.691 55.300 -0.130 0.000 1.105 243 M CB -2.029 30.535 32.600 -0.060 0.000 1.385 243 M HN 0.328 nan 8.290 nan 0.000 0.417 244 A N 0.046 122.771 122.820 -0.158 0.000 1.898 244 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 244 A C 2.448 179.950 177.584 -0.136 0.000 1.181 244 A CA 1.923 53.888 52.037 -0.120 0.000 0.620 244 A CB -0.872 18.073 19.000 -0.090 0.000 0.819 244 A HN 0.452 nan 8.150 nan 0.000 0.442 245 A N -0.464 122.229 122.820 -0.212 0.000 1.883 245 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 245 A C 2.254 179.718 177.584 -0.200 0.000 1.186 245 A CA 1.918 53.823 52.037 -0.219 0.000 0.624 245 A CB -0.989 17.827 19.000 -0.307 0.000 0.822 245 A HN 0.376 nan 8.150 nan 0.000 0.444 246 V N 0.909 120.635 119.914 -0.313 0.000 2.261 246 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 246 V C 2.277 178.339 176.094 -0.053 0.000 1.047 246 V CA 2.242 64.417 62.300 -0.207 0.000 1.015 246 V CB -1.021 30.621 31.823 -0.301 0.000 0.642 246 V HN 0.562 nan 8.190 nan 0.000 0.446 247 N N 0.863 119.523 118.700 -0.067 0.000 2.223 247 N HA -0.116 4.624 4.740 -0.000 0.000 0.185 247 N C 1.420 176.935 175.510 0.008 0.000 1.016 247 N CA 1.125 54.165 53.050 -0.016 0.000 0.863 247 N CB -0.529 37.944 38.487 -0.023 0.000 0.983 247 N HN 0.451 nan 8.380 nan 0.000 0.429 248 N N -0.565 118.140 118.700 0.009 0.000 2.398 248 N HA -0.041 4.699 4.740 -0.000 0.000 0.188 248 N C 0.679 176.244 175.510 0.092 0.000 1.122 248 N CA 0.156 53.226 53.050 0.033 0.000 0.866 248 N CB 0.224 38.720 38.487 0.015 0.000 0.970 248 N HN 0.373 nan 8.380 nan 0.000 0.462 249 Y N 0.760 121.026 120.300 -0.057 0.000 2.972 249 Y HA 0.346 4.896 4.550 -0.000 0.000 0.211 249 Y C -0.448 175.434 175.900 -0.030 0.000 0.969 249 Y CA 0.505 58.576 58.100 -0.049 0.000 1.574 249 Y CB 0.650 39.066 38.460 -0.073 0.000 1.364 249 Y HN -0.322 nan 8.280 nan 0.000 0.467 250 K N 2.335 122.634 120.400 -0.168 0.000 2.756 250 K HA 0.309 4.629 4.320 -0.000 0.000 0.218 250 K C -2.930 173.654 176.600 -0.027 0.000 1.057 250 K CA -2.066 54.102 56.287 -0.197 0.000 1.056 250 K CB 1.696 34.027 32.500 -0.280 0.000 1.235 250 K HN 0.056 nan 8.250 nan 0.000 0.547 251 P HA 0.008 nan 4.420 nan 0.000 0.267 251 P C -0.382 176.968 177.300 0.084 0.000 1.205 251 P CA -0.287 62.837 63.100 0.040 0.000 0.765 251 P CB 0.948 32.683 31.700 0.059 0.000 0.828 252 V N 0.950 120.926 119.914 0.103 0.000 2.971 252 V HA 0.495 4.615 4.120 -0.000 0.000 0.309 252 V C -0.460 175.755 176.094 0.201 0.000 1.130 252 V CA -1.439 60.969 62.300 0.180 0.000 0.964 252 V CB 1.687 33.611 31.823 0.169 0.000 1.029 252 V HN 0.317 nan 8.190 nan 0.000 0.427 253 F N 2.958 123.000 119.950 0.153 0.000 2.593 253 F HA 0.472 4.999 4.527 -0.000 0.000 0.393 253 F C 0.464 176.273 175.800 0.015 0.000 1.037 253 F CA 1.160 59.215 58.000 0.091 0.000 1.195 253 F CB 0.059 39.073 39.000 0.023 0.000 1.034 253 F HN 0.796 nan 8.300 nan 0.000 0.552 254 T N 8.266 122.496 114.554 -0.540 0.000 2.848 254 T HA 0.587 4.937 4.350 -0.000 0.000 0.285 254 T C -1.188 173.220 174.700 -0.487 0.000 0.995 254 T CA -0.303 61.529 62.100 -0.447 0.000 0.970 254 T CB 0.907 69.665 68.868 -0.184 0.000 0.976 254 T HN 0.390 nan 8.240 nan 0.000 0.441 255 F N -0.236 119.396 119.950 -0.529 0.000 2.556 255 F HA 0.878 5.405 4.527 -0.000 0.000 0.314 255 F C 0.032 175.750 175.800 -0.137 0.000 1.106 255 F CA -1.485 56.306 58.000 -0.349 0.000 0.911 255 F CB 0.999 39.768 39.000 -0.385 0.000 1.190 255 F HN 0.675 nan 8.300 nan 0.000 0.448 256 G N 1.448 110.326 108.800 0.130 0.000 2.441 256 G HA2 0.450 4.410 3.960 -0.000 0.000 0.334 256 G HA3 0.450 4.410 3.960 -0.000 0.000 0.334 256 G C -1.826 173.224 174.900 0.251 0.000 1.161 256 G CA -0.887 44.303 45.100 0.151 0.000 0.935 256 G HN 0.882 nan 8.290 nan 0.000 0.488 257 Q N 0.912 120.845 119.800 0.223 0.000 2.390 257 Q HA 0.163 4.503 4.340 -0.000 0.000 0.249 257 Q C -1.443 174.722 176.000 0.274 0.000 0.996 257 Q CA -0.745 55.254 55.803 0.327 0.000 0.899 257 Q CB 0.893 29.809 28.738 0.297 0.000 1.216 257 Q HN 0.584 nan 8.270 nan 0.000 0.465 258 W N 7.853 129.190 121.300 0.062 0.000 2.517 258 W HA 0.248 4.908 4.660 -0.000 0.000 0.301 258 W C -1.879 174.422 176.519 -0.364 0.000 1.002 258 W CA -1.664 55.616 57.345 -0.107 0.000 1.415 258 W CB 0.213 29.604 29.460 -0.115 0.000 1.275 258 W HN 0.598 nan 8.180 nan 0.000 0.413 259 F N 5.857 125.536 119.950 -0.452 0.000 2.607 259 F HA 0.285 4.812 4.527 -0.000 0.000 0.374 259 F C -0.605 175.030 175.800 -0.276 0.000 1.104 259 F CA 0.860 58.307 58.000 -0.922 0.000 1.296 259 F CB 0.630 39.306 39.000 -0.539 0.000 1.085 259 F HN 0.173 nan 8.300 nan 0.000 0.584 260 L N 6.091 126.607 121.223 -1.179 0.000 2.410 260 L HA 0.525 4.865 4.340 -0.000 0.000 0.270 260 L C 0.426 176.724 176.870 -0.953 0.000 0.983 260 L CA -0.865 53.639 54.840 -0.560 0.000 0.822 260 L CB 1.693 43.707 42.059 -0.075 0.000 1.285 260 L HN 0.804 nan 8.230 nan 0.000 0.409 261 G N 1.446 109.997 108.800 -0.416 0.000 2.557 261 G HA2 0.467 4.427 3.960 -0.000 0.000 0.292 261 G HA3 0.467 4.427 3.960 -0.000 0.000 0.292 261 G C -0.182 174.707 174.900 -0.019 0.000 1.237 261 G CA -0.595 44.433 45.100 -0.119 0.000 0.978 261 G HN 0.287 nan 8.290 nan 0.000 0.498 262 V N 1.938 121.888 119.914 0.060 0.000 2.617 262 V HA -0.025 4.095 4.120 -0.000 0.000 0.304 262 V C 0.865 176.983 176.094 0.040 0.000 1.040 262 V CA 0.584 62.914 62.300 0.050 0.000 1.149 262 V CB 0.436 32.294 31.823 0.059 0.000 0.914 262 V HN 0.938 nan 8.190 nan 0.000 0.487 263 N N 1.316 120.036 118.700 0.033 0.000 2.863 263 N HA -0.198 4.542 4.740 -0.000 0.000 0.245 263 N C 0.416 175.948 175.510 0.037 0.000 1.001 263 N CA 1.506 54.575 53.050 0.033 0.000 0.901 263 N CB -0.638 37.867 38.487 0.029 0.000 1.124 263 N HN 0.979 nan 8.380 nan 0.000 0.582 264 E N 1.122 121.343 120.200 0.035 0.000 2.229 264 E HA 0.372 4.722 4.350 -0.000 0.000 0.283 264 E C -0.817 175.805 176.600 0.037 0.000 1.030 264 E CA -0.318 56.104 56.400 0.037 0.000 0.836 264 E CB 0.885 30.606 29.700 0.036 0.000 1.068 264 E HN 0.001 nan 8.360 nan 0.000 0.401 265 V N 4.262 124.192 119.914 0.028 0.000 2.376 265 V HA 0.208 4.328 4.120 -0.000 0.000 0.287 265 V C -0.346 175.697 176.094 -0.084 0.000 1.015 265 V CA -0.654 61.654 62.300 0.013 0.000 0.834 265 V CB 1.486 33.350 31.823 0.068 0.000 1.001 265 V HN 0.615 nan 8.190 nan 0.000 0.428 266 S N 6.890 122.435 115.700 -0.258 0.000 2.474 266 S HA 0.510 4.980 4.470 -0.000 0.000 0.321 266 S C -1.599 172.588 174.600 -0.688 0.000 1.080 266 S CA -1.554 56.458 58.200 -0.314 0.000 1.106 266 S CB 1.825 64.939 63.200 -0.143 0.000 0.984 266 S HN 0.495 nan 8.310 nan 0.000 0.464 267 P HA -0.089 nan 4.420 nan 0.000 0.218 267 P C 1.165 178.345 177.300 -0.200 0.000 1.149 267 P CA 0.818 63.756 63.100 -0.271 0.000 0.817 267 P CB 0.181 31.861 31.700 -0.033 0.000 0.785 268 E N 0.142 120.275 120.200 -0.111 0.000 2.077 268 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 268 E C 1.998 178.419 176.600 -0.298 0.000 0.989 268 E CA 1.279 57.687 56.400 0.015 0.000 0.800 268 E CB -0.471 29.398 29.700 0.283 0.000 0.746 268 E HN 0.141 nan 8.360 nan 0.000 0.452 269 N N -0.916 117.373 118.700 -0.684 0.000 2.120 269 N HA -0.200 4.540 4.740 -0.000 0.000 0.188 269 N C 1.740 176.940 175.510 -0.516 0.000 1.024 269 N CA 1.623 53.905 53.050 -1.280 0.000 0.852 269 N CB -0.097 37.638 38.487 -1.252 0.000 1.003 269 N HN 0.310 nan 8.380 nan 0.000 0.424 270 H N -0.313 118.546 119.070 -0.352 0.000 2.321 270 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 270 H C 2.058 177.295 175.328 -0.152 0.000 1.087 270 H CA 1.280 57.130 56.048 -0.331 0.000 1.319 270 H CB -0.020 29.505 29.762 -0.395 0.000 1.379 270 H HN 0.208 nan 8.280 nan 0.000 0.501 271 K N 0.608 121.012 120.400 0.006 0.000 2.063 271 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 271 K C 2.002 178.609 176.600 0.011 0.000 1.048 271 K CA 1.401 57.702 56.287 0.023 0.000 0.928 271 K CB -0.174 32.360 32.500 0.057 0.000 0.713 271 K HN 0.167 nan 8.250 nan 0.000 0.442 272 F N 0.968 120.799 119.950 -0.198 0.000 2.102 272 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 272 F C 2.038 177.784 175.800 -0.089 0.000 1.105 272 F CA 1.671 59.539 58.000 -0.220 0.000 1.239 272 F CB -0.388 38.364 39.000 -0.413 0.000 0.991 272 F HN 0.088 nan 8.300 nan 0.000 0.474 273 A N 0.138 123.037 122.820 0.133 0.000 1.972 273 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 273 A C 1.865 179.477 177.584 0.047 0.000 1.169 273 A CA 1.840 53.961 52.037 0.141 0.000 0.635 273 A CB -0.763 18.445 19.000 0.348 0.000 0.810 273 A HN 0.510 nan 8.150 nan 0.000 0.446 274 N N -0.321 118.400 118.700 0.035 0.000 2.416 274 N HA -0.019 4.721 4.740 -0.000 0.000 0.177 274 N C 0.916 176.396 175.510 -0.050 0.000 1.036 274 N CA 1.218 54.272 53.050 0.008 0.000 0.901 274 N CB 0.029 38.524 38.487 0.012 0.000 0.976 274 N HN 0.716 nan 8.380 nan 0.000 0.444 275 E N -1.218 118.917 120.200 -0.109 0.000 2.676 275 E HA 0.101 4.451 4.350 -0.000 0.000 0.225 275 E C 1.021 177.499 176.600 -0.204 0.000 0.944 275 E CA -0.010 56.318 56.400 -0.120 0.000 1.156 275 E CB 0.456 30.120 29.700 -0.060 0.000 1.117 275 E HN 0.191 nan 8.360 nan 0.000 0.523 276 S N -0.087 115.382 115.700 -0.385 0.000 2.436 276 S HA 0.097 4.567 4.470 -0.000 0.000 0.228 276 S C 1.778 176.194 174.600 -0.306 0.000 1.014 276 S CA 0.846 58.735 58.200 -0.519 0.000 0.950 276 S CB 0.201 62.612 63.200 -1.315 0.000 0.784 276 S HN 0.334 nan 8.310 nan 0.000 0.504 277 G N 1.201 109.862 108.800 -0.232 0.000 2.179 277 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.220 277 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.220 277 G C -0.123 174.709 174.900 -0.114 0.000 0.990 277 G CA 0.138 45.149 45.100 -0.148 0.000 0.646 277 G HN 0.984 nan 8.290 nan 0.000 0.517 278 M N -0.255 119.260 119.600 -0.141 0.000 2.593 278 M HA 0.830 5.310 4.480 -0.000 0.000 0.290 278 M C 0.241 176.523 176.300 -0.030 0.000 1.244 278 M CA -0.253 55.001 55.300 -0.076 0.000 0.857 278 M CB 1.934 34.524 32.600 -0.016 0.000 1.738 278 M HN 0.574 nan 8.290 nan 0.000 0.461 279 S N 1.452 117.143 115.700 -0.015 0.000 2.647 279 S HA 0.885 5.355 4.470 -0.000 0.000 0.284 279 S C -0.410 174.278 174.600 0.146 0.000 1.134 279 S CA -0.844 57.390 58.200 0.057 0.000 1.027 279 S CB 1.043 64.281 63.200 0.063 0.000 1.180 279 S HN 0.761 nan 8.310 nan 0.000 0.521 280 L N -0.311 120.995 121.223 0.139 0.000 2.359 280 L HA 0.500 4.840 4.340 -0.000 0.000 0.256 280 L C -0.960 176.040 176.870 0.217 0.000 1.026 280 L CA -1.031 53.947 54.840 0.230 0.000 0.828 280 L CB 1.697 43.898 42.059 0.236 0.000 1.406 280 L HN 0.564 nan 8.230 nan 0.000 0.413 281 L N 1.417 122.857 121.223 0.363 0.000 2.462 281 L HA 0.060 4.400 4.340 -0.000 0.000 0.272 281 L C 0.158 177.302 176.870 0.456 0.000 1.166 281 L CA 0.080 55.154 54.840 0.390 0.000 0.880 281 L CB 0.253 42.568 42.059 0.426 0.000 1.142 281 L HN 0.495 nan 8.230 nan 0.000 0.473 282 D N 3.228 123.816 120.400 0.313 0.000 2.545 282 D HA 0.009 4.649 4.640 -0.000 0.000 0.227 282 D C 0.915 177.297 176.300 0.136 0.000 1.150 282 D CA 0.161 54.254 54.000 0.155 0.000 1.046 282 D CB 0.172 40.928 40.800 -0.074 0.000 1.098 282 D HN 0.281 nan 8.370 nan 0.000 0.502 283 F N 1.084 121.180 119.950 0.244 0.000 2.171 283 F HA -0.067 4.460 4.527 -0.000 0.000 0.300 283 F C 2.543 178.362 175.800 0.033 0.000 1.090 283 F CA 0.743 58.828 58.000 0.142 0.000 1.293 283 F CB -0.090 38.979 39.000 0.114 0.000 1.013 283 F HN 0.265 nan 8.300 nan 0.000 0.486 284 R N -0.398 120.263 120.500 0.267 0.000 2.091 284 R HA -0.239 4.101 4.340 -0.000 0.000 0.238 284 R C 2.312 178.709 176.300 0.162 0.000 1.136 284 R CA 1.860 58.083 56.100 0.206 0.000 0.959 284 R CB -0.689 29.778 30.300 0.279 0.000 0.856 284 R HN 0.304 nan 8.270 nan 0.000 0.437 285 F N 0.811 120.760 119.950 -0.002 0.000 2.084 285 F HA -0.067 4.460 4.527 0.000 0.000 0.296 285 F C 2.155 177.886 175.800 -0.114 0.000 1.111 285 F CA 1.517 59.498 58.000 -0.032 0.000 1.224 285 F CB -0.592 38.366 39.000 -0.069 0.000 0.991 285 F HN 0.107 nan 8.300 nan 0.000 0.471 286 A N 0.261 123.051 122.820 -0.050 0.000 1.883 286 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 286 A C 2.158 179.673 177.584 -0.115 0.000 1.186 286 A CA 1.829 53.673 52.037 -0.322 0.000 0.624 286 A CB -0.893 17.361 19.000 -1.244 0.000 0.822 286 A HN 0.541 nan 8.150 nan 0.000 0.444 287 Q N -0.561 119.208 119.800 -0.052 0.000 2.084 287 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 287 Q C 2.096 178.100 176.000 0.006 0.000 0.978 287 Q CA 1.894 57.710 55.803 0.020 0.000 0.844 287 Q CB -0.378 28.387 28.738 0.046 0.000 0.898 287 Q HN 0.637 nan 8.270 nan 0.000 0.426 288 K N 0.767 121.149 120.400 -0.029 0.000 2.057 288 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 288 K C 2.002 178.558 176.600 -0.072 0.000 1.050 288 K CA 0.813 57.063 56.287 -0.061 0.000 0.935 288 K CB -0.407 32.041 32.500 -0.087 0.000 0.715 288 K HN -0.018 nan 8.250 nan 0.000 0.439 289 V N 1.075 120.940 119.914 -0.082 0.000 2.332 289 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 289 V C 2.343 178.606 176.094 0.281 0.000 1.055 289 V CA 2.106 64.453 62.300 0.078 0.000 1.038 289 V CB -0.423 31.407 31.823 0.011 0.000 0.651 289 V HN 0.328 nan 8.190 nan 0.000 0.450 290 R N -0.639 119.984 120.500 0.204 0.000 2.075 290 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 290 R C 2.424 178.762 176.300 0.063 0.000 1.126 290 R CA 1.484 57.694 56.100 0.183 0.000 0.963 290 R CB -0.303 30.061 30.300 0.106 0.000 0.858 290 R HN 0.603 nan 8.270 nan 0.000 0.435 291 Q N -0.042 119.771 119.800 0.022 0.000 2.050 291 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 291 Q C 2.201 178.160 176.000 -0.068 0.000 0.980 291 Q CA 1.609 57.397 55.803 -0.025 0.000 0.840 291 Q CB 0.030 28.748 28.738 -0.034 0.000 0.898 291 Q HN 0.183 nan 8.270 nan 0.000 0.424 292 V N -0.374 119.466 119.914 -0.123 0.000 2.323 292 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 292 V C 1.554 177.415 176.094 -0.389 0.000 1.041 292 V CA 1.711 63.809 62.300 -0.336 0.000 1.025 292 V CB -0.343 31.130 31.823 -0.584 0.000 0.656 292 V HN 0.261 nan 8.190 nan 0.000 0.451 293 F N -1.015 118.942 119.950 0.013 0.000 2.678 293 F HA 0.260 4.787 4.527 0.000 0.000 0.291 293 F C 2.326 178.208 175.800 0.137 0.000 1.123 293 F CA 0.520 58.586 58.000 0.110 0.000 1.395 293 F CB 0.019 39.148 39.000 0.214 0.000 1.121 293 F HN -0.103 nan 8.300 nan 0.000 0.592 294 R N 0.233 120.831 120.500 0.163 0.000 2.098 294 R HA 0.038 4.378 4.340 -0.000 0.000 0.203 294 R C 0.868 177.098 176.300 -0.116 0.000 1.166 294 R CA 0.973 56.982 56.100 -0.152 0.000 1.090 294 R CB 0.049 29.935 30.300 -0.690 0.000 0.992 294 R HN 0.023 nan 8.270 nan 0.000 0.477 295 D N 0.400 120.745 120.400 -0.090 0.000 2.360 295 D HA -0.023 4.617 4.640 -0.000 0.000 0.210 295 D C -0.197 176.075 176.300 -0.046 0.000 1.047 295 D CA 0.168 54.126 54.000 -0.069 0.000 0.854 295 D CB -0.070 40.693 40.800 -0.061 0.000 0.936 295 D HN 0.198 nan 8.370 nan 0.000 0.514 296 N N 0.884 119.556 118.700 -0.047 0.000 2.725 296 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 296 N C 0.334 175.819 175.510 -0.042 0.000 1.031 296 N CA 1.156 54.177 53.050 -0.049 0.000 0.720 296 N CB -1.382 37.084 38.487 -0.034 0.000 0.930 296 N HN 0.266 nan 8.380 nan 0.000 0.543 297 T N -4.491 110.037 114.554 -0.043 0.000 3.044 297 T HA 0.319 4.669 4.350 -0.000 0.000 0.260 297 T C 0.056 174.736 174.700 -0.033 0.000 1.019 297 T CA -0.044 62.038 62.100 -0.031 0.000 0.921 297 T CB 0.700 69.555 68.868 -0.020 0.000 1.053 297 T HN 0.232 nan 8.240 nan 0.000 0.533 298 D N 1.006 121.373 120.400 -0.054 0.000 2.622 298 D HA 0.417 5.057 4.640 -0.000 0.000 0.255 298 D C -1.362 174.883 176.300 -0.092 0.000 1.246 298 D CA -0.488 53.479 54.000 -0.056 0.000 0.795 298 D CB 2.067 42.837 40.800 -0.050 0.000 1.369 298 D HN 0.293 nan 8.370 nan 0.000 0.425 299 N N 0.119 118.781 118.700 -0.064 0.000 2.906 299 N HA 0.265 5.005 4.740 -0.000 0.000 0.327 299 N C 0.977 176.395 175.510 -0.153 0.000 1.344 299 N CA -0.491 52.502 53.050 -0.095 0.000 0.823 299 N CB 0.222 38.715 38.487 0.010 0.000 1.351 299 N HN 0.171 nan 8.380 nan 0.000 0.604 300 M N -0.825 118.638 119.600 -0.228 0.000 2.202 300 M HA -0.091 4.389 4.480 -0.000 0.000 0.262 300 M C 1.284 177.415 176.300 -0.281 0.000 1.063 300 M CA 1.598 56.710 55.300 -0.312 0.000 1.097 300 M CB -1.448 30.946 32.600 -0.342 0.000 1.382 300 M HN 0.538 nan 8.290 nan 0.000 0.413 301 Y N -0.062 120.199 120.300 -0.066 0.000 2.274 301 Y HA -0.086 4.464 4.550 0.000 0.000 0.290 301 Y C 2.627 178.498 175.900 -0.048 0.000 1.145 301 Y CA 1.407 59.479 58.100 -0.045 0.000 1.203 301 Y CB -1.286 37.149 38.460 -0.041 0.000 0.984 301 Y HN 0.318 nan 8.280 nan 0.000 0.533 302 G N -0.530 108.310 108.800 0.066 0.000 2.403 302 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 302 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 302 G C 1.601 176.479 174.900 -0.036 0.000 1.154 302 G CA 0.707 45.814 45.100 0.012 0.000 0.784 302 G HN 0.319 nan 8.290 nan 0.000 0.538 303 L N 0.796 121.956 121.223 -0.105 0.000 2.056 303 L HA 0.100 4.440 4.340 -0.000 0.000 0.207 303 L C 2.723 179.560 176.870 -0.056 0.000 1.078 303 L CA 2.334 57.086 54.840 -0.146 0.000 0.749 303 L CB -0.403 41.482 42.059 -0.290 0.000 0.901 303 L HN 0.267 nan 8.230 nan 0.000 0.433 304 K N -0.624 119.754 120.400 -0.037 0.000 2.057 304 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 304 K C 1.963 178.589 176.600 0.042 0.000 1.049 304 K CA 1.420 57.717 56.287 0.016 0.000 0.931 304 K CB -0.273 32.238 32.500 0.018 0.000 0.714 304 K HN 0.382 nan 8.250 nan 0.000 0.440 305 A N 1.806 124.653 122.820 0.046 0.000 1.933 305 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 305 A C 2.169 179.783 177.584 0.049 0.000 1.175 305 A CA 1.614 53.681 52.037 0.050 0.000 0.628 305 A CB -0.598 18.433 19.000 0.051 0.000 0.814 305 A HN 0.522 nan 8.150 nan 0.000 0.444 306 M N -0.190 119.436 119.600 0.043 0.000 2.132 306 M HA -0.079 4.401 4.480 -0.000 0.000 0.263 306 M C 1.945 178.303 176.300 0.098 0.000 1.065 306 M CA 1.706 57.045 55.300 0.065 0.000 1.122 306 M CB -0.823 31.799 32.600 0.037 0.000 1.365 306 M HN 0.421 nan 8.290 nan 0.000 0.411 307 L N 0.133 121.410 121.223 0.089 0.000 2.017 307 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 307 L C 2.358 179.281 176.870 0.089 0.000 1.073 307 L CA 1.569 56.474 54.840 0.108 0.000 0.745 307 L CB -0.692 41.417 42.059 0.083 0.000 0.894 307 L HN 0.347 nan 8.230 nan 0.000 0.432 308 E N -0.172 120.070 120.200 0.069 0.000 2.072 308 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 308 E C 2.233 178.857 176.600 0.040 0.000 0.985 308 E CA 1.004 57.438 56.400 0.055 0.000 0.801 308 E CB -0.312 29.418 29.700 0.050 0.000 0.750 308 E HN 0.547 nan 8.360 nan 0.000 0.452 309 G N 1.389 110.211 108.800 0.038 0.000 2.404 309 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.215 309 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.215 309 G C 1.777 176.664 174.900 -0.022 0.000 1.174 309 G CA 1.240 46.343 45.100 0.006 0.000 0.780 309 G HN 0.384 nan 8.290 nan 0.000 0.537 310 S N 1.409 117.143 115.700 0.057 0.000 2.368 310 S HA 0.072 4.542 4.470 -0.000 0.000 0.225 310 S C 2.598 177.281 174.600 0.138 0.000 1.030 310 S CA 1.590 59.873 58.200 0.139 0.000 0.999 310 S CB -0.574 62.816 63.200 0.316 0.000 0.844 310 S HN 0.629 nan 8.310 nan 0.000 0.459 311 A N 1.648 124.526 122.820 0.097 0.000 2.019 311 A HA 0.334 4.654 4.320 -0.000 0.000 0.219 311 A C 2.411 180.010 177.584 0.025 0.000 1.164 311 A CA 1.660 53.743 52.037 0.076 0.000 0.644 311 A CB -1.163 17.877 19.000 0.066 0.000 0.805 311 A HN 0.889 nan 8.150 nan 0.000 0.449 312 A N -0.561 122.247 122.820 -0.020 0.000 1.943 312 A HA 0.026 4.346 4.320 -0.000 0.000 0.213 312 A C 1.686 179.185 177.584 -0.141 0.000 1.181 312 A CA 1.322 53.323 52.037 -0.061 0.000 0.653 312 A CB -0.201 18.767 19.000 -0.053 0.000 0.833 312 A HN 0.387 nan 8.150 nan 0.000 0.451 313 D N -1.180 119.056 120.400 -0.273 0.000 2.149 313 D HA 0.000 4.640 4.640 -0.000 0.000 0.201 313 D C -0.343 175.604 176.300 -0.589 0.000 0.972 313 D CA 0.917 54.559 54.000 -0.598 0.000 0.835 313 D CB -0.179 39.883 40.800 -1.230 0.000 0.966 313 D HN 0.467 nan 8.370 nan 0.000 0.476 314 Y N 0.317 120.493 120.300 -0.206 0.000 2.383 314 Y HA 0.415 4.965 4.550 -0.000 0.000 0.344 314 Y C 1.269 177.126 175.900 -0.073 0.000 0.986 314 Y CA -0.765 57.273 58.100 -0.102 0.000 1.175 314 Y CB 1.455 39.889 38.460 -0.044 0.000 1.152 314 Y HN -0.159 nan 8.280 nan 0.000 0.511 315 A N 2.931 125.794 122.820 0.072 0.000 1.917 315 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 315 A C 0.860 178.439 177.584 -0.009 0.000 1.182 315 A CA 1.447 53.486 52.037 0.003 0.000 0.633 315 A CB -0.272 18.722 19.000 -0.011 0.000 0.819 315 A HN 0.781 nan 8.150 nan 0.000 0.448 316 Q N -1.070 118.769 119.800 0.065 0.000 2.788 316 Q HA 0.426 4.766 4.340 -0.000 0.000 0.261 316 Q C 0.456 176.520 176.000 0.107 0.000 1.029 316 Q CA -0.120 55.725 55.803 0.070 0.000 0.848 316 Q CB 1.147 29.959 28.738 0.123 0.000 1.185 316 Q HN 0.156 nan 8.270 nan 0.000 0.482 317 V N 1.319 121.292 119.914 0.098 0.000 2.568 317 V HA -0.259 3.861 4.120 -0.000 0.000 0.253 317 V C 0.939 177.045 176.094 0.021 0.000 1.072 317 V CA 2.139 64.473 62.300 0.057 0.000 1.084 317 V CB 0.114 31.992 31.823 0.092 0.000 0.676 317 V HN 0.726 nan 8.190 nan 0.000 0.469 318 D N -0.444 120.015 120.400 0.098 0.000 2.378 318 D HA -0.113 4.526 4.640 -0.000 0.000 0.222 318 D C 1.153 177.535 176.300 0.138 0.000 0.980 318 D CA 0.917 54.988 54.000 0.118 0.000 0.907 318 D CB -0.011 40.925 40.800 0.226 0.000 0.899 318 D HN 0.510 nan 8.370 nan 0.000 0.527 319 D N 0.348 120.857 120.400 0.182 0.000 2.360 319 D HA -0.011 4.629 4.640 -0.000 0.000 0.210 319 D C 0.521 176.928 176.300 0.178 0.000 1.047 319 D CA 0.245 54.423 54.000 0.298 0.000 0.854 319 D CB 0.394 41.434 40.800 0.401 0.000 0.936 319 D HN 0.074 nan 8.370 nan 0.000 0.514 320 Q N 0.745 120.529 119.800 -0.027 0.000 2.313 320 Q HA 0.164 4.504 4.340 -0.000 0.000 0.266 320 Q C -0.052 175.863 176.000 -0.142 0.000 0.989 320 Q CA -0.137 55.581 55.803 -0.142 0.000 0.890 320 Q CB 1.536 30.058 28.738 -0.360 0.000 1.200 320 Q HN -0.101 nan 8.270 nan 0.000 0.396 321 V N 3.809 123.648 119.914 -0.126 0.000 2.353 321 V HA 0.152 4.272 4.120 -0.000 0.000 0.264 321 V C 0.703 176.775 176.094 -0.037 0.000 1.049 321 V CA -0.448 61.740 62.300 -0.186 0.000 0.896 321 V CB 0.293 31.816 31.823 -0.499 0.000 1.025 321 V HN 0.853 nan 8.190 nan 0.000 0.475 322 T N 2.991 117.435 114.554 -0.183 0.000 2.882 322 T HA 0.793 5.143 4.350 -0.000 0.000 0.287 322 T C -0.572 174.189 174.700 0.101 0.000 1.014 322 T CA -0.391 61.536 62.100 -0.287 0.000 1.049 322 T CB 1.370 69.662 68.868 -0.959 0.000 1.001 322 T HN 0.692 nan 8.240 nan 0.000 0.525 323 F N -0.817 119.107 119.950 -0.043 0.000 2.807 323 F HA 0.534 5.061 4.527 -0.000 0.000 0.316 323 F C -0.010 175.870 175.800 0.134 0.000 1.162 323 F CA -1.405 56.621 58.000 0.043 0.000 0.910 323 F CB 0.682 39.705 39.000 0.038 0.000 1.314 323 F HN 0.579 nan 8.300 nan 0.000 0.454 324 I N -1.523 119.174 120.570 0.211 0.000 4.181 324 I HA 0.467 4.637 4.170 -0.000 0.000 0.331 324 I C -0.808 175.525 176.117 0.360 0.000 1.312 324 I CA 0.177 61.577 61.300 0.167 0.000 1.146 324 I CB 0.574 38.554 38.000 -0.032 0.000 1.074 324 I HN 0.682 nan 8.210 nan 0.000 0.402 325 D N 0.737 121.415 120.400 0.464 0.000 2.738 325 D HA 0.380 5.020 4.640 -0.000 0.000 0.308 325 D C -1.181 175.227 176.300 0.180 0.000 1.311 325 D CA -0.602 53.622 54.000 0.373 0.000 0.799 325 D CB 0.600 41.591 40.800 0.319 0.000 1.332 325 D HN 0.330 nan 8.370 nan 0.000 0.441 326 N N -3.015 115.589 118.700 -0.159 0.000 3.339 326 N HA 0.159 4.899 4.740 -0.000 0.000 0.275 326 N C 0.367 175.364 175.510 -0.854 0.000 1.514 326 N CA -0.505 52.156 53.050 -0.649 0.000 0.879 326 N CB -0.070 38.197 38.487 -0.367 0.000 1.557 326 N HN 0.581 nan 8.380 nan 0.000 0.524 327 H N -1.860 116.693 119.070 -0.861 0.000 2.563 327 H HA 0.176 4.732 4.556 0.000 0.000 0.272 327 H C -0.775 174.479 175.328 -0.123 0.000 1.005 327 H CA 0.779 56.585 56.048 -0.404 0.000 1.171 327 H CB -0.208 29.524 29.762 -0.050 0.000 1.351 327 H HN 0.533 nan 8.280 nan 0.000 0.602 328 D N 0.748 120.796 120.400 -0.587 0.000 2.440 328 D HA 0.156 4.796 4.640 -0.000 0.000 0.216 328 D C 0.884 177.122 176.300 -0.105 0.000 1.150 328 D CA 0.050 53.852 54.000 -0.330 0.000 0.832 328 D CB 0.721 41.308 40.800 -0.355 0.000 0.992 328 D HN 0.573 nan 8.370 nan 0.000 0.502 329 M N -1.670 117.891 119.600 -0.065 0.000 2.622 329 M HA 0.463 4.943 4.480 -0.000 0.000 0.276 329 M C -1.282 175.041 176.300 0.037 0.000 1.265 329 M CA -0.824 54.501 55.300 0.040 0.000 0.850 329 M CB 2.427 35.127 32.600 0.166 0.000 1.720 329 M HN -0.382 nan 8.290 nan 0.000 0.465 330 E N 1.867 122.100 120.200 0.054 0.000 2.413 330 E HA 0.167 4.517 4.350 -0.000 0.000 0.263 330 E C -0.635 176.020 176.600 0.092 0.000 1.015 330 E CA -0.076 56.355 56.400 0.052 0.000 0.916 330 E CB 0.632 30.348 29.700 0.027 0.000 0.947 330 E HN 0.431 nan 8.360 nan 0.000 0.440 331 R N 1.483 122.050 120.500 0.112 0.000 2.698 331 R HA -0.071 4.269 4.340 -0.000 0.000 0.266 331 R C 0.967 177.388 176.300 0.202 0.000 1.026 331 R CA -0.122 56.090 56.100 0.187 0.000 1.102 331 R CB 0.217 30.625 30.300 0.181 0.000 0.978 331 R HN 0.585 nan 8.270 nan 0.000 0.436 332 F N 1.890 121.927 119.950 0.146 0.000 2.065 332 F HA -0.212 4.315 4.527 0.000 0.000 0.298 332 F C 1.261 177.163 175.800 0.170 0.000 1.112 332 F CA 1.651 59.741 58.000 0.149 0.000 1.212 332 F CB -0.315 38.777 39.000 0.153 0.000 0.975 332 F HN 0.528 nan 8.300 nan 0.000 0.476 333 H N 0.771 120.074 119.070 0.388 0.000 2.878 333 H HA 0.470 5.026 4.556 -0.000 0.000 0.290 333 H C -0.401 175.004 175.328 0.127 0.000 1.065 333 H CA -0.524 55.695 56.048 0.285 0.000 1.477 333 H CB 0.254 30.212 29.762 0.327 0.000 1.484 333 H HN 0.278 nan 8.280 nan 0.000 0.504 334 A N 3.645 126.225 122.820 -0.399 0.000 2.331 334 A HA 0.291 4.611 4.320 -0.000 0.000 0.283 334 A C 1.508 178.771 177.584 -0.535 0.000 1.142 334 A CA -0.028 51.807 52.037 -0.338 0.000 0.812 334 A CB 0.157 19.033 19.000 -0.207 0.000 1.074 334 A HN 0.983 nan 8.150 nan 0.000 0.497 335 S N 2.045 117.577 115.700 -0.279 0.000 2.407 335 S HA -0.246 4.224 4.470 -0.000 0.000 0.235 335 S C 1.061 175.581 174.600 -0.134 0.000 1.036 335 S CA 1.723 59.820 58.200 -0.171 0.000 1.013 335 S CB -0.528 62.638 63.200 -0.058 0.000 0.820 335 S HN 0.907 nan 8.310 nan 0.000 0.476 336 N N 1.887 120.507 118.700 -0.132 0.000 2.235 336 N HA 0.375 5.115 4.740 -0.000 0.000 0.209 336 N C 0.151 175.626 175.510 -0.059 0.000 1.122 336 N CA 0.334 53.343 53.050 -0.069 0.000 0.845 336 N CB 0.076 38.533 38.487 -0.050 0.000 1.004 336 N HN 0.551 nan 8.380 nan 0.000 0.499 337 A N 0.820 123.572 122.820 -0.113 0.000 2.264 337 A HA 0.285 4.605 4.320 -0.000 0.000 0.304 337 A C 0.222 177.882 177.584 0.127 0.000 1.100 337 A CA -0.648 51.381 52.037 -0.014 0.000 0.839 337 A CB 0.445 19.419 19.000 -0.043 0.000 1.121 337 A HN 0.274 nan 8.150 nan 0.000 0.496 338 N N 0.196 118.974 118.700 0.130 0.000 2.475 338 N HA 0.025 4.765 4.740 -0.000 0.000 0.267 338 N C 0.996 176.633 175.510 0.213 0.000 1.169 338 N CA 0.050 53.182 53.050 0.136 0.000 0.947 338 N CB 0.558 39.105 38.487 0.100 0.000 1.061 338 N HN 0.617 nan 8.380 nan 0.000 0.466 339 R N 2.268 122.848 120.500 0.134 0.000 2.152 339 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 339 R C 1.517 177.901 176.300 0.140 0.000 1.117 339 R CA 0.883 57.015 56.100 0.053 0.000 0.981 339 R CB -0.015 30.105 30.300 -0.300 0.000 0.870 339 R HN 0.465 nan 8.270 nan 0.000 0.451 340 R N 1.921 122.493 120.500 0.120 0.000 2.127 340 R HA -0.110 4.230 4.340 -0.000 0.000 0.238 340 R C 1.544 177.945 176.300 0.169 0.000 1.134 340 R CA 1.586 57.760 56.100 0.123 0.000 0.975 340 R CB -0.122 30.238 30.300 0.100 0.000 0.865 340 R HN 0.153 nan 8.270 nan 0.000 0.447 341 K N -0.150 120.396 120.400 0.244 0.000 2.026 341 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 341 K C 1.954 178.759 176.600 0.341 0.000 1.048 341 K CA 1.560 58.058 56.287 0.353 0.000 0.929 341 K CB -0.467 32.284 32.500 0.418 0.000 0.713 341 K HN 0.158 nan 8.250 nan 0.000 0.439 342 L N 2.161 123.597 121.223 0.354 0.000 2.027 342 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 342 L C 1.872 178.673 176.870 -0.114 0.000 1.074 342 L CA 1.780 56.661 54.840 0.069 0.000 0.745 342 L CB -0.408 41.793 42.059 0.237 0.000 0.898 342 L HN 0.118 nan 8.230 nan 0.000 0.433 343 E N -0.728 119.486 120.200 0.024 0.000 2.085 343 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 343 E C 2.188 178.738 176.600 -0.083 0.000 0.994 343 E CA 1.742 58.135 56.400 -0.012 0.000 0.801 343 E CB -0.228 29.509 29.700 0.062 0.000 0.743 343 E HN 0.657 nan 8.360 nan 0.000 0.453 344 Q N 0.082 119.832 119.800 -0.085 0.000 2.046 344 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 344 Q C 2.350 178.087 176.000 -0.437 0.000 0.975 344 Q CA 1.178 56.882 55.803 -0.167 0.000 0.836 344 Q CB -0.178 28.532 28.738 -0.046 0.000 0.896 344 Q HN 0.274 nan 8.270 nan 0.000 0.428 345 A N 0.757 123.208 122.820 -0.615 0.000 1.940 345 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 345 A C 1.999 179.368 177.584 -0.358 0.000 1.176 345 A CA 1.117 52.705 52.037 -0.748 0.000 0.631 345 A CB -0.489 17.992 19.000 -0.865 0.000 0.814 345 A HN 0.239 nan 8.150 nan 0.000 0.446 346 L N -0.474 120.570 121.223 -0.298 0.000 2.005 346 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 346 L C 2.958 179.767 176.870 -0.102 0.000 1.072 346 L CA 1.985 56.721 54.840 -0.173 0.000 0.744 346 L CB -1.191 40.772 42.059 -0.159 0.000 0.895 346 L HN 0.392 nan 8.230 nan 0.000 0.433 347 A N -1.362 121.402 122.820 -0.095 0.000 1.940 347 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 347 A C 2.292 179.890 177.584 0.024 0.000 1.176 347 A CA 1.855 53.863 52.037 -0.048 0.000 0.631 347 A CB -1.026 17.945 19.000 -0.048 0.000 0.814 347 A HN 0.434 nan 8.150 nan 0.000 0.446 348 F N 1.343 121.226 119.950 -0.113 0.000 2.102 348 F HA -0.141 4.386 4.527 0.000 0.000 0.298 348 F C 2.475 178.326 175.800 0.085 0.000 1.105 348 F CA 2.323 60.326 58.000 0.005 0.000 1.239 348 F CB -0.762 38.133 39.000 -0.174 0.000 0.991 348 F HN 0.202 nan 8.300 nan 0.000 0.474 349 T N 1.616 116.186 114.554 0.025 0.000 2.708 349 T HA -0.186 4.164 4.350 -0.000 0.000 0.266 349 T C 2.126 176.745 174.700 -0.135 0.000 1.037 349 T CA 1.859 63.957 62.100 -0.003 0.000 1.146 349 T CB -0.617 68.302 68.868 0.085 0.000 0.865 349 T HN 0.251 nan 8.240 nan 0.000 0.435 350 L N 1.279 122.440 121.223 -0.102 0.000 2.191 350 L HA -0.056 4.284 4.340 -0.000 0.000 0.212 350 L C 2.609 179.406 176.870 -0.122 0.000 1.103 350 L CA 1.344 56.116 54.840 -0.113 0.000 0.769 350 L CB -0.744 41.256 42.059 -0.098 0.000 0.908 350 L HN 0.442 nan 8.230 nan 0.000 0.438 351 T N -5.870 108.623 114.554 -0.101 0.000 3.054 351 T HA 0.197 4.547 4.350 -0.000 0.000 0.255 351 T C 0.765 175.443 174.700 -0.038 0.000 1.035 351 T CA -0.296 61.773 62.100 -0.052 0.000 0.941 351 T CB 0.297 69.169 68.868 0.006 0.000 1.026 351 T HN -0.004 nan 8.240 nan 0.000 0.533 352 S N 2.306 117.890 115.700 -0.193 0.000 2.713 352 S HA 0.588 5.058 4.470 -0.000 0.000 0.283 352 S C 0.393 174.863 174.600 -0.217 0.000 1.161 352 S CA -1.063 56.976 58.200 -0.269 0.000 0.999 352 S CB 0.921 63.820 63.200 -0.501 0.000 1.039 352 S HN 0.608 nan 8.310 nan 0.000 0.548 353 R N 0.717 121.116 120.500 -0.169 0.000 2.784 353 R HA 0.516 4.856 4.340 -0.000 0.000 0.266 353 R C 0.624 176.789 176.300 -0.224 0.000 1.044 353 R CA 0.667 56.684 56.100 -0.138 0.000 1.151 353 R CB -1.311 28.958 30.300 -0.052 0.000 1.037 353 R HN 0.949 nan 8.270 nan 0.000 0.478 354 G N -0.037 108.661 108.800 -0.170 0.000 2.418 354 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.206 354 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.206 354 G C -1.481 173.299 174.900 -0.202 0.000 1.202 354 G CA -0.308 44.678 45.100 -0.190 0.000 1.061 354 G HN 0.757 nan 8.290 nan 0.000 0.563 355 V N 2.487 122.271 119.914 -0.218 0.000 2.419 355 V HA 0.532 4.652 4.120 -0.000 0.000 0.287 355 V C -2.248 173.734 176.094 -0.187 0.000 1.017 355 V CA -0.978 61.200 62.300 -0.203 0.000 0.844 355 V CB 1.946 33.642 31.823 -0.212 0.000 1.011 355 V HN 0.647 nan 8.190 nan 0.000 0.429 356 P HA 0.438 nan 4.420 nan 0.000 0.276 356 P C -0.683 176.615 177.300 -0.002 0.000 1.230 356 P CA 0.024 63.060 63.100 -0.107 0.000 0.776 356 P CB 1.260 32.894 31.700 -0.109 0.000 0.888 357 A N 4.226 127.095 122.820 0.081 0.000 2.356 357 A HA 0.694 5.014 4.320 -0.000 0.000 0.310 357 A C -0.592 177.105 177.584 0.188 0.000 1.075 357 A CA -0.766 51.383 52.037 0.187 0.000 0.746 357 A CB 0.639 19.825 19.000 0.310 0.000 1.221 357 A HN 0.451 nan 8.150 nan 0.000 0.443 358 I N 2.648 123.309 120.570 0.152 0.000 2.362 358 I HA 0.189 4.359 4.170 -0.000 0.000 0.289 358 I C -0.794 175.321 176.117 -0.002 0.000 0.994 358 I CA -0.711 60.652 61.300 0.105 0.000 1.158 358 I CB 1.305 39.379 38.000 0.123 0.000 1.315 358 I HN 0.725 nan 8.210 nan 0.000 0.451 359 Y N 8.707 128.937 120.300 -0.118 0.000 2.544 359 Y HA 0.041 4.591 4.550 -0.000 0.000 0.330 359 Y C 0.114 175.802 175.900 -0.354 0.000 1.136 359 Y CA -0.952 57.023 58.100 -0.208 0.000 1.417 359 Y CB 0.054 38.454 38.460 -0.099 0.000 1.229 359 Y HN 0.459 nan 8.280 nan 0.000 0.532 360 Y N 4.301 124.102 120.300 -0.832 0.000 2.904 360 Y HA 0.272 4.822 4.550 -0.000 0.000 0.336 360 Y C 1.119 176.802 175.900 -0.362 0.000 1.263 360 Y CA -0.150 57.496 58.100 -0.756 0.000 1.547 360 Y CB -0.065 38.080 38.460 -0.525 0.000 1.272 360 Y HN 0.947 nan 8.280 nan 0.000 0.596 361 G N 2.219 110.965 108.800 -0.089 0.000 2.199 361 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.254 361 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.254 361 G C 0.873 175.687 174.900 -0.144 0.000 0.982 361 G CA 0.496 45.515 45.100 -0.135 0.000 0.632 361 G HN 0.872 nan 8.290 nan 0.000 0.529 362 T N 1.692 116.153 114.554 -0.155 0.000 2.699 362 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 362 T C 2.149 176.738 174.700 -0.184 0.000 1.036 362 T CA 1.950 63.988 62.100 -0.104 0.000 1.147 362 T CB -0.260 68.580 68.868 -0.046 0.000 0.862 362 T HN 0.803 nan 8.240 nan 0.000 0.446 363 E N 1.093 121.236 120.200 -0.096 0.000 2.472 363 E HA -0.138 4.212 4.350 -0.000 0.000 0.200 363 E C 1.243 177.703 176.600 -0.234 0.000 1.046 363 E CA 0.822 57.130 56.400 -0.153 0.000 0.871 363 E CB -0.139 29.602 29.700 0.068 0.000 0.806 363 E HN 0.420 nan 8.360 nan 0.000 0.533 364 Q N -0.195 119.520 119.800 -0.141 0.000 2.198 364 Q HA 0.074 4.414 4.340 -0.000 0.000 0.209 364 Q C -0.520 175.489 176.000 0.015 0.000 0.848 364 Q CA -0.432 55.351 55.803 -0.035 0.000 0.974 364 Q CB -0.181 28.590 28.738 0.055 0.000 1.115 364 Q HN 0.331 nan 8.270 nan 0.000 0.494 365 Y N -1.359 118.941 120.300 0.000 0.000 3.929 365 Y HA -0.277 4.273 4.550 0.000 0.000 0.225 365 Y C 0.376 176.339 175.900 0.105 0.000 1.200 365 Y CA 0.208 58.281 58.100 -0.045 0.000 1.791 365 Y CB -2.610 35.747 38.460 -0.172 0.000 1.561 365 Y HN 0.215 nan 8.280 nan 0.000 0.657 366 M N 0.863 120.537 119.600 0.124 0.000 2.249 366 M HA 0.236 4.716 4.480 -0.000 0.000 0.340 366 M C 0.661 177.062 176.300 0.170 0.000 1.166 366 M CA 0.871 56.227 55.300 0.094 0.000 1.115 366 M CB 0.572 33.135 32.600 -0.062 0.000 1.606 366 M HN 0.368 nan 8.290 nan 0.000 0.448 367 S N 1.181 116.964 115.700 0.139 0.000 2.634 367 S HA 1.012 5.481 4.470 -0.000 0.000 0.296 367 S C -0.333 174.301 174.600 0.057 0.000 1.104 367 S CA -0.681 57.586 58.200 0.111 0.000 0.920 367 S CB 2.273 65.510 63.200 0.061 0.000 1.111 367 S HN 1.056 nan 8.310 nan 0.000 0.493 368 G N -0.754 108.072 108.800 0.043 0.000 2.378 368 G HA2 0.512 4.472 3.960 -0.000 0.000 0.302 368 G HA3 0.512 4.472 3.960 -0.000 0.000 0.302 368 G C -0.249 174.669 174.900 0.029 0.000 1.669 368 G CA -0.314 44.804 45.100 0.030 0.000 0.920 368 G HN 0.977 nan 8.290 nan 0.000 0.697 369 G N -0.508 108.301 108.800 0.014 0.000 2.546 369 G HA2 0.705 4.665 3.960 -0.000 0.000 0.239 369 G HA3 0.705 4.665 3.960 -0.000 0.000 0.239 369 G C 1.014 175.921 174.900 0.012 0.000 1.476 369 G CA 0.709 45.814 45.100 0.009 0.000 1.064 369 G HN 1.779 nan 8.290 nan 0.000 0.561 370 T N -1.537 113.017 114.554 -0.000 0.000 2.795 370 T HA 0.161 4.511 4.350 -0.000 0.000 0.314 370 T C 0.370 175.068 174.700 -0.003 0.000 1.069 370 T CA 0.224 62.318 62.100 -0.010 0.000 1.071 370 T CB 0.761 69.613 68.868 -0.027 0.000 0.988 370 T HN 0.538 nan 8.240 nan 0.000 0.543 371 D N 2.521 122.916 120.400 -0.008 0.000 2.658 371 D HA 0.015 4.655 4.640 -0.000 0.000 0.230 371 D C -1.299 175.018 176.300 0.028 0.000 1.118 371 D CA -1.376 52.635 54.000 0.018 0.000 0.848 371 D CB 0.668 41.470 40.800 0.004 0.000 1.160 371 D HN 0.448 nan 8.370 nan 0.000 0.497 372 P HA 0.158 nan 4.420 nan 0.000 0.266 372 P C 0.091 177.412 177.300 0.034 0.000 1.381 372 P CA -0.202 62.943 63.100 0.075 0.000 0.940 372 P CB 0.523 32.275 31.700 0.086 0.000 1.435 373 D N 1.362 121.775 120.400 0.022 0.000 2.263 373 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 373 D C 1.245 177.560 176.300 0.025 0.000 0.971 373 D CA 1.043 55.052 54.000 0.015 0.000 0.867 373 D CB -0.418 40.388 40.800 0.009 0.000 0.929 373 D HN 0.347 nan 8.370 nan 0.000 0.492 374 N N -0.119 118.605 118.700 0.039 0.000 2.322 374 N HA -0.028 4.712 4.740 -0.000 0.000 0.194 374 N C 0.329 175.897 175.510 0.096 0.000 1.126 374 N CA 0.056 53.153 53.050 0.079 0.000 0.845 374 N CB -0.015 38.532 38.487 0.100 0.000 0.976 374 N HN 0.028 nan 8.380 nan 0.000 0.475 375 R N 0.041 120.564 120.500 0.038 0.000 2.767 375 R HA 0.460 4.800 4.340 -0.000 0.000 0.377 375 R C -0.183 176.168 176.300 0.086 0.000 1.151 375 R CA -0.327 55.787 56.100 0.024 0.000 1.046 375 R CB 0.775 30.996 30.300 -0.132 0.000 1.404 375 R HN 0.146 nan 8.270 nan 0.000 0.580 376 A N 1.327 124.189 122.820 0.071 0.000 2.346 376 A HA 0.225 4.545 4.320 -0.000 0.000 0.252 376 A C 0.116 177.782 177.584 0.136 0.000 1.089 376 A CA -0.415 51.655 52.037 0.055 0.000 0.797 376 A CB 0.297 19.306 19.000 0.015 0.000 1.047 376 A HN 0.457 nan 8.150 nan 0.000 0.494 377 R N 1.112 121.654 120.500 0.070 0.000 2.537 377 R HA 0.197 4.537 4.340 -0.000 0.000 0.280 377 R C -0.049 176.298 176.300 0.080 0.000 1.058 377 R CA -0.225 55.924 56.100 0.081 0.000 1.057 377 R CB 0.119 30.420 30.300 0.000 0.000 0.973 377 R HN 0.701 nan 8.270 nan 0.000 0.438 378 I N 7.360 128.015 120.570 0.142 0.000 2.741 378 I HA 0.002 4.172 4.170 -0.000 0.000 0.288 378 I C -1.423 174.569 176.117 -0.209 0.000 1.192 378 I CA -1.460 59.852 61.300 0.021 0.000 1.426 378 I CB 1.160 39.215 38.000 0.092 0.000 1.367 378 I HN 0.726 nan 8.210 nan 0.000 0.563 379 P HA 0.029 nan 4.420 nan 0.000 0.236 379 P C -0.096 177.052 177.300 -0.253 0.000 1.177 379 P CA 0.414 63.410 63.100 -0.173 0.000 0.773 379 P CB 0.281 31.933 31.700 -0.080 0.000 0.878 380 S N -1.337 114.145 115.700 -0.364 0.000 2.567 380 S HA 0.537 5.007 4.470 -0.000 0.000 0.270 380 S C -1.571 172.727 174.600 -0.504 0.000 1.152 380 S CA -0.585 57.404 58.200 -0.351 0.000 0.835 380 S CB 0.175 63.304 63.200 -0.118 0.000 1.115 380 S HN -0.219 nan 8.310 nan 0.000 0.459 381 F N 2.208 122.048 119.950 -0.184 0.000 2.908 381 F HA 0.441 4.968 4.527 0.000 0.000 0.328 381 F C 0.984 176.782 175.800 -0.004 0.000 1.211 381 F CA -0.483 57.299 58.000 -0.362 0.000 1.291 381 F CB 0.732 39.399 39.000 -0.555 0.000 0.962 381 F HN 0.493 nan 8.300 nan 0.000 0.505 382 S N 0.266 116.063 115.700 0.162 0.000 2.528 382 S HA 0.180 4.650 4.470 -0.000 0.000 0.277 382 S C 1.394 175.908 174.600 -0.143 0.000 1.297 382 S CA 0.165 58.393 58.200 0.047 0.000 1.052 382 S CB 0.621 63.834 63.200 0.021 0.000 0.917 382 S HN 0.497 nan 8.310 nan 0.000 0.492 383 T N 1.517 115.840 114.554 -0.385 0.000 3.107 383 T HA 0.128 4.478 4.350 -0.000 0.000 0.249 383 T C 1.188 175.582 174.700 -0.509 0.000 1.096 383 T CA 0.252 61.716 62.100 -1.061 0.000 1.012 383 T CB -0.078 68.348 68.868 -0.737 0.000 0.977 383 T HN 0.424 nan 8.240 nan 0.000 0.527 384 S N 2.055 117.636 115.700 -0.200 0.000 2.593 384 S HA 0.114 4.584 4.470 -0.000 0.000 0.217 384 S C 1.182 175.804 174.600 0.037 0.000 0.966 384 S CA 0.176 58.346 58.200 -0.051 0.000 0.914 384 S CB -0.246 62.940 63.200 -0.023 0.000 0.776 384 S HN 0.891 nan 8.310 nan 0.000 0.523 385 T N -0.122 114.480 114.554 0.080 0.000 2.898 385 T HA 0.147 4.497 4.350 -0.000 0.000 0.301 385 T C 1.331 176.152 174.700 0.202 0.000 1.049 385 T CA -0.139 62.079 62.100 0.196 0.000 1.095 385 T CB 0.796 69.813 68.868 0.248 0.000 0.976 385 T HN -0.000 nan 8.240 nan 0.000 0.539 386 T N 2.061 116.763 114.554 0.247 0.000 2.746 386 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 386 T C 2.391 177.182 174.700 0.151 0.000 1.039 386 T CA 1.408 63.619 62.100 0.186 0.000 1.142 386 T CB -0.803 68.169 68.868 0.174 0.000 0.866 386 T HN 0.829 nan 8.240 nan 0.000 0.444 387 A N 0.446 123.350 122.820 0.139 0.000 1.902 387 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 387 A C 2.082 179.657 177.584 -0.016 0.000 1.181 387 A CA 1.574 53.583 52.037 -0.048 0.000 0.623 387 A CB -1.029 17.737 19.000 -0.389 0.000 0.818 387 A HN 0.586 nan 8.150 nan 0.000 0.443 388 Y N 0.666 120.917 120.300 -0.081 0.000 2.181 388 Y HA -0.249 4.301 4.550 -0.000 0.000 0.288 388 Y C 2.543 178.405 175.900 -0.063 0.000 1.146 388 Y CA 2.319 60.376 58.100 -0.071 0.000 1.164 388 Y CB -0.382 38.054 38.460 -0.040 0.000 0.982 388 Y HN 0.460 nan 8.280 nan 0.000 0.515 389 Q N -1.073 118.852 119.800 0.208 0.000 2.170 389 Q HA -0.158 4.182 4.340 -0.000 0.000 0.203 389 Q C 2.327 178.330 176.000 0.005 0.000 0.976 389 Q CA 1.683 57.555 55.803 0.115 0.000 0.858 389 Q CB -0.277 28.523 28.738 0.104 0.000 0.907 389 Q HN 0.374 nan 8.270 nan 0.000 0.433 390 V N 1.033 120.939 119.914 -0.012 0.000 2.295 390 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 390 V C 2.105 178.142 176.094 -0.095 0.000 1.049 390 V CA 1.663 63.933 62.300 -0.050 0.000 1.024 390 V CB -0.388 31.409 31.823 -0.045 0.000 0.648 390 V HN 0.331 nan 8.190 nan 0.000 0.447 391 I N -0.291 120.196 120.570 -0.138 0.000 2.179 391 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 391 I C 2.646 178.641 176.117 -0.204 0.000 1.088 391 I CA 1.902 63.091 61.300 -0.185 0.000 1.357 391 I CB -0.461 37.390 38.000 -0.248 0.000 1.051 391 I HN 0.378 nan 8.210 nan 0.000 0.409 392 Q N 1.454 121.113 119.800 -0.235 0.000 2.135 392 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 392 Q C 2.048 177.981 176.000 -0.113 0.000 0.981 392 Q CA 1.732 57.422 55.803 -0.188 0.000 0.856 392 Q CB 0.082 28.749 28.738 -0.119 0.000 0.902 392 Q HN 0.474 nan 8.270 nan 0.000 0.425 393 K N -0.397 119.950 120.400 -0.089 0.000 2.186 393 K HA 0.017 4.337 4.320 -0.000 0.000 0.202 393 K C 1.999 178.546 176.600 -0.087 0.000 1.052 393 K CA 0.721 56.965 56.287 -0.073 0.000 0.965 393 K CB 0.252 32.718 32.500 -0.058 0.000 0.746 393 K HN 0.250 nan 8.250 nan 0.000 0.457 394 L N -0.219 120.944 121.223 -0.101 0.000 2.316 394 L HA 0.127 4.467 4.340 -0.000 0.000 0.207 394 L C 2.482 179.283 176.870 -0.114 0.000 1.070 394 L CA 0.328 55.105 54.840 -0.105 0.000 0.820 394 L CB -0.408 41.589 42.059 -0.103 0.000 0.992 394 L HN 0.062 nan 8.230 nan 0.000 0.466 395 A N 1.427 124.172 122.820 -0.124 0.000 1.892 395 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 395 A C -0.195 177.312 177.584 -0.129 0.000 1.188 395 A CA 1.903 53.863 52.037 -0.129 0.000 0.631 395 A CB -1.900 17.018 19.000 -0.138 0.000 0.822 395 A HN 0.274 nan 8.150 nan 0.000 0.447 396 P HA -0.087 nan 4.420 nan 0.000 0.225 396 P C 1.256 178.485 177.300 -0.118 0.000 1.148 396 P CA 0.663 63.693 63.100 -0.116 0.000 0.779 396 P CB -0.218 31.423 31.700 -0.099 0.000 0.780 397 L N -0.839 120.315 121.223 -0.115 0.000 2.191 397 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 397 L C 2.533 179.314 176.870 -0.148 0.000 1.103 397 L CA 1.236 56.007 54.840 -0.115 0.000 0.769 397 L CB -0.651 41.347 42.059 -0.103 0.000 0.908 397 L HN -0.013 nan 8.230 nan 0.000 0.438 398 R N -0.061 120.337 120.500 -0.170 0.000 2.152 398 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 398 R C 2.095 178.242 176.300 -0.255 0.000 1.117 398 R CA 0.743 56.707 56.100 -0.227 0.000 0.981 398 R CB -0.079 30.084 30.300 -0.229 0.000 0.870 398 R HN 0.329 nan 8.270 nan 0.000 0.451 399 K N 0.144 120.425 120.400 -0.199 0.000 2.099 399 K HA 0.015 4.335 4.320 -0.000 0.000 0.203 399 K C 2.201 178.708 176.600 -0.155 0.000 1.047 399 K CA 1.426 57.602 56.287 -0.184 0.000 0.963 399 K CB -0.064 32.346 32.500 -0.150 0.000 0.759 399 K HN 0.146 nan 8.250 nan 0.000 0.451 400 S N 0.730 116.352 115.700 -0.130 0.000 2.436 400 S HA -0.007 4.463 4.470 -0.000 0.000 0.228 400 S C 0.859 175.399 174.600 -0.100 0.000 1.014 400 S CA 0.283 58.421 58.200 -0.103 0.000 0.950 400 S CB -0.086 63.063 63.200 -0.084 0.000 0.784 400 S HN 0.064 nan 8.310 nan 0.000 0.504 401 N N 1.996 120.625 118.700 -0.117 0.000 2.626 401 N HA 0.399 5.139 4.740 -0.000 0.000 0.249 401 N C -2.547 172.881 175.510 -0.135 0.000 1.021 401 N CA -2.290 50.703 53.050 -0.095 0.000 0.886 401 N CB 1.856 40.301 38.487 -0.071 0.000 1.149 401 N HN -0.042 nan 8.380 nan 0.000 0.517 402 P HA -0.075 nan 4.420 nan 0.000 0.221 402 P C 0.933 178.144 177.300 -0.149 0.000 1.145 402 P CA 0.733 63.717 63.100 -0.192 0.000 0.795 402 P CB 0.291 32.040 31.700 0.082 0.000 0.775 403 A N -0.237 122.608 122.820 0.041 0.000 1.933 403 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 403 A C 2.247 179.824 177.584 -0.011 0.000 1.175 403 A CA 1.284 53.389 52.037 0.112 0.000 0.628 403 A CB -1.461 17.616 19.000 0.128 0.000 0.814 403 A HN 0.150 nan 8.150 nan 0.000 0.444 404 I N -0.593 119.921 120.570 -0.094 0.000 2.286 404 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 404 I C 2.923 178.898 176.117 -0.236 0.000 1.104 404 I CA 0.991 62.214 61.300 -0.129 0.000 1.397 404 I CB -0.274 37.648 38.000 -0.130 0.000 1.072 404 I HN 0.350 nan 8.210 nan 0.000 0.417 405 A N -0.030 122.534 122.820 -0.427 0.000 1.929 405 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 405 A C 1.577 178.781 177.584 -0.634 0.000 1.176 405 A CA 1.583 53.210 52.037 -0.682 0.000 0.628 405 A CB -0.395 17.908 19.000 -1.162 0.000 0.816 405 A HN 0.500 nan 8.150 nan 0.000 0.444 406 Y N -1.141 118.970 120.300 -0.316 0.000 2.563 406 Y HA 0.356 4.906 4.550 -0.000 0.000 0.250 406 Y C 1.481 177.310 175.900 -0.119 0.000 1.126 406 Y CA -0.974 56.929 58.100 -0.329 0.000 1.231 406 Y CB -0.651 37.268 38.460 -0.902 0.000 1.288 406 Y HN 0.215 nan 8.280 nan 0.000 0.537 407 G N 1.055 109.914 108.800 0.098 0.000 2.636 407 G HA2 0.332 4.292 3.960 -0.000 0.000 0.246 407 G HA3 0.332 4.292 3.960 -0.000 0.000 0.246 407 G C 0.390 175.400 174.900 0.184 0.000 1.216 407 G CA -0.033 45.205 45.100 0.230 0.000 0.854 407 G HN 0.246 nan 8.290 nan 0.000 0.572 408 S N -0.716 115.103 115.700 0.198 0.000 2.617 408 S HA 0.549 5.019 4.470 -0.000 0.000 0.259 408 S C 0.040 174.722 174.600 0.138 0.000 1.301 408 S CA -0.352 57.938 58.200 0.150 0.000 0.984 408 S CB 1.317 64.599 63.200 0.138 0.000 0.954 408 S HN 0.581 nan 8.310 nan 0.000 0.572 409 T N 1.415 116.043 114.554 0.122 0.000 2.841 409 T HA 0.502 4.852 4.350 -0.000 0.000 0.285 409 T C -1.017 173.766 174.700 0.139 0.000 0.991 409 T CA -0.501 61.681 62.100 0.136 0.000 0.966 409 T CB 1.307 70.227 68.868 0.087 0.000 0.962 409 T HN 0.664 nan 8.240 nan 0.000 0.438 410 Q N 2.248 122.154 119.800 0.178 0.000 2.285 410 Q HA 0.255 4.595 4.340 -0.000 0.000 0.269 410 Q C -0.941 175.181 176.000 0.203 0.000 1.030 410 Q CA -0.685 55.213 55.803 0.159 0.000 0.788 410 Q CB 1.700 30.517 28.738 0.133 0.000 1.266 410 Q HN 0.633 nan 8.270 nan 0.000 0.438 411 E N 3.625 123.930 120.200 0.175 0.000 2.324 411 E HA 0.032 4.381 4.350 -0.000 0.000 0.271 411 E C -0.218 176.488 176.600 0.178 0.000 1.028 411 E CA 0.191 56.708 56.400 0.195 0.000 0.890 411 E CB 0.668 30.450 29.700 0.136 0.000 1.004 411 E HN 0.614 nan 8.360 nan 0.000 0.431 412 R N 3.333 123.967 120.500 0.224 0.000 2.316 412 R HA 0.133 4.473 4.340 -0.000 0.000 0.201 412 R C -0.253 176.226 176.300 0.298 0.000 0.888 412 R CA 0.191 56.424 56.100 0.222 0.000 1.041 412 R CB 0.462 30.895 30.300 0.221 0.000 1.115 412 R HN 0.589 nan 8.270 nan 0.000 0.559 413 W N 0.113 121.468 121.300 0.092 0.000 3.573 413 W HA 0.565 5.225 4.660 -0.000 0.000 0.306 413 W C -1.644 174.895 176.519 0.033 0.000 1.227 413 W CA -0.579 56.802 57.345 0.061 0.000 1.212 413 W CB 1.311 30.811 29.460 0.066 0.000 1.331 413 W HN -0.177 nan 8.180 nan 0.000 0.524 414 I N 6.094 126.615 120.570 -0.081 0.000 2.842 414 I HA 0.477 4.647 4.170 -0.000 0.000 0.297 414 I C -1.558 174.394 176.117 -0.275 0.000 1.380 414 I CA -0.480 60.767 61.300 -0.088 0.000 1.018 414 I CB 1.631 39.519 38.000 -0.187 0.000 1.311 414 I HN 0.628 nan 8.210 nan 0.000 0.439 415 N N 3.613 122.196 118.700 -0.195 0.000 3.344 415 N HA 0.363 5.103 4.740 -0.000 0.000 0.296 415 N C -0.393 175.001 175.510 -0.193 0.000 1.571 415 N CA -0.656 52.334 53.050 -0.100 0.000 0.844 415 N CB 0.106 38.636 38.487 0.072 0.000 1.718 415 N HN 0.440 nan 8.380 nan 0.000 0.589 416 N N -0.216 118.528 118.700 0.073 0.000 2.094 416 N HA -0.113 4.627 4.740 -0.000 0.000 0.191 416 N C -0.070 175.406 175.510 -0.057 0.000 1.023 416 N CA 1.682 54.773 53.050 0.069 0.000 0.857 416 N CB -0.281 38.270 38.487 0.108 0.000 1.013 416 N HN 0.570 nan 8.380 nan 0.000 0.426 417 D N -0.597 119.790 120.400 -0.021 0.000 2.389 417 D HA 0.122 4.762 4.640 -0.000 0.000 0.206 417 D C -0.069 176.222 176.300 -0.015 0.000 1.055 417 D CA 0.158 54.137 54.000 -0.035 0.000 0.856 417 D CB 1.129 41.932 40.800 0.006 0.000 0.957 417 D HN -0.051 nan 8.370 nan 0.000 0.509 418 V N 1.717 121.655 119.914 0.040 0.000 2.555 418 V HA 0.432 4.552 4.120 -0.000 0.000 0.302 418 V C -0.679 175.490 176.094 0.125 0.000 1.038 418 V CA -0.893 61.475 62.300 0.114 0.000 0.887 418 V CB 2.589 34.543 31.823 0.218 0.000 0.991 418 V HN -0.084 nan 8.190 nan 0.000 0.434 419 L N 6.162 127.482 121.223 0.161 0.000 2.409 419 L HA 0.679 5.019 4.340 -0.000 0.000 0.272 419 L C -1.009 176.051 176.870 0.317 0.000 0.980 419 L CA 0.055 55.027 54.840 0.219 0.000 0.826 419 L CB 1.581 43.754 42.059 0.191 0.000 1.268 419 L HN 0.569 nan 8.230 nan 0.000 0.407 420 I N 6.244 127.022 120.570 0.345 0.000 2.410 420 I HA 0.391 4.561 4.170 -0.000 0.000 0.286 420 I C -1.126 175.183 176.117 0.319 0.000 1.009 420 I CA -0.747 60.725 61.300 0.287 0.000 1.111 420 I CB 1.201 39.390 38.000 0.315 0.000 1.262 420 I HN 0.625 nan 8.210 nan 0.000 0.443 421 Y N 3.166 123.592 120.300 0.209 0.000 2.562 421 Y HA 0.767 5.316 4.550 -0.000 0.000 0.343 421 Y C -0.714 175.276 175.900 0.150 0.000 1.025 421 Y CA -1.357 56.849 58.100 0.177 0.000 1.082 421 Y CB 1.187 39.756 38.460 0.182 0.000 1.264 421 Y HN 0.499 nan 8.280 nan 0.000 0.478 422 E N 2.051 122.417 120.200 0.277 0.000 2.210 422 E HA 0.479 4.829 4.350 -0.000 0.000 0.266 422 E C -1.216 175.511 176.600 0.211 0.000 0.883 422 E CA -1.133 55.371 56.400 0.174 0.000 0.761 422 E CB 1.065 30.847 29.700 0.136 0.000 1.156 422 E HN 0.614 nan 8.360 nan 0.000 0.412 423 R N 3.427 124.028 120.500 0.168 0.000 2.393 423 R HA 0.453 4.793 4.340 -0.000 0.000 0.310 423 R C -0.721 175.667 176.300 0.146 0.000 0.968 423 R CA -0.612 55.584 56.100 0.160 0.000 0.867 423 R CB 1.436 31.813 30.300 0.129 0.000 1.124 423 R HN 0.483 nan 8.270 nan 0.000 0.450 424 K N 2.365 122.867 120.400 0.171 0.000 2.482 424 K HA 0.470 4.790 4.320 -0.000 0.000 0.251 424 K C -1.821 174.943 176.600 0.273 0.000 0.936 424 K CA -0.597 55.800 56.287 0.183 0.000 0.791 424 K CB 1.444 34.026 32.500 0.137 0.000 1.213 424 K HN 0.419 nan 8.250 nan 0.000 0.428 425 F N 3.771 123.771 119.950 0.084 0.000 2.787 425 F HA 0.392 4.919 4.527 -0.000 0.000 0.340 425 F C 0.208 176.048 175.800 0.067 0.000 1.232 425 F CA 0.694 58.747 58.000 0.089 0.000 1.051 425 F CB 1.234 40.308 39.000 0.125 0.000 1.330 425 F HN 0.829 nan 8.300 nan 0.000 0.522 426 G N 3.348 111.874 108.800 -0.457 0.000 2.596 426 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.295 426 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.295 426 G C 0.310 175.172 174.900 -0.063 0.000 1.240 426 G CA 0.106 45.012 45.100 -0.323 0.000 0.985 426 G HN 0.963 nan 8.290 nan 0.000 0.555 427 S N 2.568 118.261 115.700 -0.011 0.000 2.699 427 S HA 0.319 4.789 4.470 -0.000 0.000 0.251 427 S C 0.202 174.858 174.600 0.093 0.000 1.179 427 S CA -0.136 58.119 58.200 0.092 0.000 1.200 427 S CB -0.536 62.711 63.200 0.078 0.000 0.848 427 S HN 0.526 nan 8.310 nan 0.000 0.472 428 N N 0.908 119.678 118.700 0.117 0.000 2.249 428 N HA 0.536 5.276 4.740 -0.000 0.000 0.296 428 N C -1.274 174.343 175.510 0.177 0.000 1.051 428 N CA -0.358 52.757 53.050 0.108 0.000 0.815 428 N CB 2.408 40.956 38.487 0.103 0.000 1.487 428 N HN -0.048 nan 8.380 nan 0.000 0.475 429 V N 0.241 120.269 119.914 0.190 0.000 2.971 429 V HA 0.854 4.974 4.120 -0.000 0.000 0.309 429 V C -0.870 175.289 176.094 0.108 0.000 1.130 429 V CA -0.823 61.573 62.300 0.160 0.000 0.964 429 V CB 1.981 33.908 31.823 0.174 0.000 1.029 429 V HN 0.860 nan 8.190 nan 0.000 0.427 430 A N 2.864 125.727 122.820 0.072 0.000 2.427 430 A HA 0.891 5.211 4.320 -0.000 0.000 0.298 430 A C -1.457 176.133 177.584 0.011 0.000 1.036 430 A CA -0.532 51.523 52.037 0.030 0.000 0.701 430 A CB 1.977 20.979 19.000 0.003 0.000 1.250 430 A HN 0.742 nan 8.150 nan 0.000 0.412 431 V N 2.616 122.531 119.914 0.003 0.000 2.487 431 V HA 0.565 4.685 4.120 -0.000 0.000 0.298 431 V C -0.536 175.480 176.094 -0.130 0.000 1.028 431 V CA -0.509 61.800 62.300 0.014 0.000 0.860 431 V CB 1.633 33.561 31.823 0.175 0.000 0.991 431 V HN 0.706 nan 8.190 nan 0.000 0.427 432 V N 3.734 123.410 119.914 -0.397 0.000 2.487 432 V HA 0.840 4.960 4.120 -0.000 0.000 0.298 432 V C 0.177 176.022 176.094 -0.416 0.000 1.028 432 V CA -0.568 61.387 62.300 -0.576 0.000 0.860 432 V CB 1.800 33.102 31.823 -0.867 0.000 0.991 432 V HN 0.972 nan 8.190 nan 0.000 0.427 433 A N 4.632 127.281 122.820 -0.285 0.000 2.318 433 A HA 0.891 5.211 4.320 -0.000 0.000 0.317 433 A C -0.909 176.681 177.584 0.010 0.000 1.159 433 A CA -0.533 51.490 52.037 -0.023 0.000 0.799 433 A CB 1.460 20.556 19.000 0.161 0.000 1.194 433 A HN 0.725 nan 8.150 nan 0.000 0.479 434 V N 2.878 122.869 119.914 0.128 0.000 2.577 434 V HA 0.407 4.527 4.120 -0.000 0.000 0.303 434 V C -0.615 175.569 176.094 0.150 0.000 1.042 434 V CA -0.800 61.602 62.300 0.170 0.000 0.872 434 V CB 1.878 33.884 31.823 0.305 0.000 0.998 434 V HN 0.880 nan 8.190 nan 0.000 0.423 435 N N 3.528 122.302 118.700 0.123 0.000 2.626 435 N HA 0.283 5.023 4.740 -0.000 0.000 0.242 435 N C 1.070 176.641 175.510 0.101 0.000 1.005 435 N CA -0.766 52.338 53.050 0.089 0.000 0.905 435 N CB 1.223 39.747 38.487 0.062 0.000 1.128 435 N HN 0.714 nan 8.380 nan 0.000 0.512 436 R N 2.015 122.561 120.500 0.077 0.000 2.189 436 R HA 0.035 4.375 4.340 -0.000 0.000 0.218 436 R C 0.262 176.596 176.300 0.057 0.000 1.074 436 R CA 0.340 56.489 56.100 0.081 0.000 0.991 436 R CB -0.185 30.069 30.300 -0.076 0.000 0.883 436 R HN 0.238 nan 8.270 nan 0.000 0.457 437 N N 1.907 120.629 118.700 0.035 0.000 2.427 437 N HA -0.033 4.707 4.740 -0.000 0.000 0.269 437 N C 0.479 176.017 175.510 0.046 0.000 1.235 437 N CA 0.153 53.223 53.050 0.033 0.000 0.934 437 N CB 0.748 39.251 38.487 0.027 0.000 1.121 437 N HN 0.324 nan 8.380 nan 0.000 0.480 438 L N 2.865 124.118 121.223 0.049 0.000 2.552 438 L HA 0.000 4.340 4.340 -0.000 0.000 0.227 438 L C 0.717 177.611 176.870 0.040 0.000 1.146 438 L CA 0.649 55.520 54.840 0.052 0.000 0.858 438 L CB -0.131 41.964 42.059 0.060 0.000 0.969 438 L HN 0.495 nan 8.230 nan 0.000 0.451 439 N N -0.485 118.235 118.700 0.033 0.000 2.257 439 N HA 0.242 4.982 4.740 -0.000 0.000 0.200 439 N C 0.186 175.711 175.510 0.025 0.000 1.163 439 N CA 0.049 53.115 53.050 0.027 0.000 0.891 439 N CB 0.926 39.426 38.487 0.023 0.000 1.067 439 N HN 0.151 nan 8.380 nan 0.000 0.497 440 A N 1.422 124.258 122.820 0.027 0.000 2.343 440 A HA 0.600 4.920 4.320 -0.000 0.000 0.308 440 A C -2.653 174.945 177.584 0.023 0.000 1.092 440 A CA -1.519 50.532 52.037 0.024 0.000 0.751 440 A CB 1.261 20.276 19.000 0.024 0.000 1.203 440 A HN -0.143 nan 8.150 nan 0.000 0.452 441 P HA 0.518 nan 4.420 nan 0.000 0.274 441 P C -0.415 176.881 177.300 -0.006 0.000 1.256 441 P CA -0.165 62.940 63.100 0.009 0.000 0.795 441 P CB 1.197 32.901 31.700 0.007 0.000 1.038 442 A N 0.281 123.076 122.820 -0.043 0.000 2.401 442 A HA 0.550 4.870 4.320 -0.000 0.000 0.310 442 A C -0.377 177.096 177.584 -0.185 0.000 1.075 442 A CA -0.581 51.407 52.037 -0.082 0.000 0.746 442 A CB 1.117 20.062 19.000 -0.092 0.000 1.277 442 A HN 0.392 nan 8.150 nan 0.000 0.425 443 S N 2.403 118.004 115.700 -0.165 0.000 2.404 443 S HA 0.482 4.952 4.470 -0.000 0.000 0.309 443 S C -0.336 174.023 174.600 -0.402 0.000 1.076 443 S CA -0.570 57.496 58.200 -0.222 0.000 1.095 443 S CB -0.469 62.682 63.200 -0.081 0.000 0.972 443 S HN 0.441 nan 8.310 nan 0.000 0.484 444 I N 5.728 125.830 120.570 -0.780 0.000 2.291 444 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 444 I C 0.480 176.223 176.117 -0.623 0.000 1.050 444 I CA -0.187 60.418 61.300 -1.159 0.000 1.245 444 I CB 0.018 36.877 38.000 -1.902 0.000 1.405 444 I HN 0.687 nan 8.210 nan 0.000 0.478 445 S N 2.714 118.326 115.700 -0.145 0.000 2.548 445 S HA 0.802 5.272 4.470 -0.000 0.000 0.286 445 S C 0.537 175.300 174.600 0.273 0.000 1.098 445 S CA -0.053 58.175 58.200 0.046 0.000 0.930 445 S CB 2.276 65.508 63.200 0.054 0.000 1.070 445 S HN 1.124 nan 8.310 nan 0.000 0.480 446 G N 0.154 109.068 108.800 0.190 0.000 2.157 446 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.248 446 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.248 446 G C -0.219 174.847 174.900 0.276 0.000 0.979 446 G CA 0.098 45.325 45.100 0.213 0.000 0.650 446 G HN 1.259 nan 8.290 nan 0.000 0.529 447 L N 1.495 122.884 121.223 0.277 0.000 2.418 447 L HA 0.640 4.980 4.340 -0.000 0.000 0.274 447 L C 0.234 177.201 176.870 0.161 0.000 1.135 447 L CA -0.348 54.663 54.840 0.286 0.000 0.870 447 L CB 1.312 43.492 42.059 0.202 0.000 1.154 447 L HN 0.094 nan 8.230 nan 0.000 0.462 448 V N 4.915 124.918 119.914 0.149 0.000 2.555 448 V HA 0.747 4.867 4.120 -0.000 0.000 0.302 448 V C 0.296 176.433 176.094 0.071 0.000 1.038 448 V CA 0.035 62.386 62.300 0.085 0.000 0.887 448 V CB 1.755 33.623 31.823 0.074 0.000 0.991 448 V HN 1.000 nan 8.190 nan 0.000 0.434 449 T N 0.397 114.967 114.554 0.027 0.000 2.804 449 T HA 0.392 4.742 4.350 -0.000 0.000 0.290 449 T C 0.354 175.051 174.700 -0.006 0.000 1.099 449 T CA -0.409 61.698 62.100 0.011 0.000 1.011 449 T CB 1.937 70.781 68.868 -0.040 0.000 1.291 449 T HN 0.290 nan 8.240 nan 0.000 0.523 450 S N -0.099 115.596 115.700 -0.008 0.000 2.557 450 S HA 0.350 4.820 4.470 -0.000 0.000 0.223 450 S C 0.485 175.049 174.600 -0.060 0.000 0.969 450 S CA -0.498 57.695 58.200 -0.012 0.000 0.927 450 S CB -0.620 62.596 63.200 0.026 0.000 0.806 450 S HN 0.458 nan 8.310 nan 0.000 0.489 451 L N 3.014 124.171 121.223 -0.109 0.000 2.416 451 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 451 L C -2.233 174.545 176.870 -0.153 0.000 1.161 451 L CA -1.902 52.823 54.840 -0.191 0.000 0.845 451 L CB 0.103 41.924 42.059 -0.397 0.000 1.119 451 L HN -0.046 nan 8.230 nan 0.000 0.464 452 P HA -0.005 nan 4.420 nan 0.000 0.272 452 P C -0.855 176.442 177.300 -0.004 0.000 1.230 452 P CA -0.458 62.523 63.100 -0.198 0.000 0.788 452 P CB 0.412 31.858 31.700 -0.422 0.000 0.949 453 Q N 0.522 120.302 119.800 -0.034 0.000 2.315 453 Q HA 0.374 4.714 4.340 -0.000 0.000 0.289 453 Q C 0.249 176.231 176.000 -0.030 0.000 1.044 453 Q CA 0.983 56.780 55.803 -0.011 0.000 0.920 453 Q CB -0.280 28.439 28.738 -0.031 0.000 1.214 453 Q HN 0.742 nan 8.270 nan 0.000 0.392 454 G N 1.602 110.382 108.800 -0.035 0.000 2.369 454 G HA2 0.043 4.003 3.960 -0.000 0.000 0.295 454 G HA3 0.043 4.003 3.960 -0.000 0.000 0.295 454 G C -1.488 173.296 174.900 -0.194 0.000 1.298 454 G CA -0.607 44.395 45.100 -0.163 0.000 0.940 454 G HN 0.550 nan 8.290 nan 0.000 0.536 455 S N -0.487 115.030 115.700 -0.305 0.000 2.489 455 S HA 0.748 5.217 4.470 -0.000 0.000 0.291 455 S C -1.359 173.003 174.600 -0.397 0.000 1.151 455 S CA -0.246 57.817 58.200 -0.228 0.000 1.082 455 S CB 1.004 64.119 63.200 -0.142 0.000 1.019 455 S HN 0.461 nan 8.310 nan 0.000 0.492 456 Y N 1.843 122.073 120.300 -0.117 0.000 2.350 456 Y HA 0.386 4.936 4.550 -0.000 0.000 0.338 456 Y C 0.380 176.338 175.900 0.096 0.000 0.961 456 Y CA -1.049 57.044 58.100 -0.012 0.000 1.100 456 Y CB 1.056 39.501 38.460 -0.025 0.000 1.179 456 Y HN 0.508 nan 8.280 nan 0.000 0.454 457 N N 1.902 120.748 118.700 0.243 0.000 2.530 457 N HA 0.022 4.762 4.740 -0.000 0.000 0.277 457 N C -0.748 174.939 175.510 0.295 0.000 1.168 457 N CA -0.364 52.816 53.050 0.216 0.000 0.979 457 N CB 0.767 39.316 38.487 0.103 0.000 1.141 457 N HN 0.668 nan 8.380 nan 0.000 0.459 458 D N 0.958 121.486 120.400 0.213 0.000 2.450 458 D HA -0.017 4.623 4.640 -0.000 0.000 0.247 458 D C 1.047 177.323 176.300 -0.042 0.000 1.162 458 D CA -0.127 53.868 54.000 -0.008 0.000 0.879 458 D CB 0.773 41.546 40.800 -0.045 0.000 1.163 458 D HN 0.146 nan 8.370 nan 0.000 0.472 459 V N 4.471 124.323 119.914 -0.104 0.000 2.469 459 V HA -0.220 3.900 4.120 -0.000 0.000 0.251 459 V C 2.257 178.307 176.094 -0.074 0.000 1.064 459 V CA 1.295 63.554 62.300 -0.068 0.000 1.066 459 V CB -0.517 31.255 31.823 -0.085 0.000 0.667 459 V HN 0.648 nan 8.190 nan 0.000 0.461 460 L N 0.429 121.587 121.223 -0.108 0.000 2.551 460 L HA 0.157 4.497 4.340 -0.000 0.000 0.228 460 L C 1.812 178.656 176.870 -0.043 0.000 1.153 460 L CA 0.833 55.625 54.840 -0.080 0.000 0.851 460 L CB -0.772 41.226 42.059 -0.102 0.000 0.959 460 L HN 0.553 nan 8.230 nan 0.000 0.451 461 G N 0.101 108.882 108.800 -0.031 0.000 2.225 461 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.267 461 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.267 461 G C 0.983 175.883 174.900 0.001 0.000 1.024 461 G CA 0.398 45.495 45.100 -0.005 0.000 0.784 461 G HN 0.690 nan 8.290 nan 0.000 0.507 462 G N -1.766 107.030 108.800 -0.007 0.000 2.162 462 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.260 462 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.260 462 G C 1.201 176.104 174.900 0.004 0.000 0.976 462 G CA 1.045 46.148 45.100 0.005 0.000 0.655 462 G HN 1.597 nan 8.290 nan 0.000 0.533 463 L N -0.047 121.174 121.223 -0.003 0.000 2.081 463 L HA 0.151 4.491 4.340 -0.000 0.000 0.212 463 L C 2.007 178.882 176.870 0.010 0.000 1.080 463 L CA 2.297 57.140 54.840 0.006 0.000 0.754 463 L CB -0.089 41.971 42.059 0.002 0.000 0.893 463 L HN 0.420 nan 8.230 nan 0.000 0.433 464 L N -0.251 120.971 121.223 -0.003 0.000 3.094 464 L HA 0.271 4.611 4.340 -0.000 0.000 0.254 464 L C 0.179 177.056 176.870 0.012 0.000 1.298 464 L CA -0.151 54.693 54.840 0.006 0.000 1.050 464 L CB -0.652 41.404 42.059 -0.004 0.000 1.420 464 L HN 0.321 nan 8.230 nan 0.000 0.548 465 N N -0.471 118.239 118.700 0.018 0.000 2.741 465 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 465 N C 0.702 176.234 175.510 0.037 0.000 1.115 465 N CA 0.683 53.752 53.050 0.031 0.000 0.724 465 N CB -0.993 37.517 38.487 0.039 0.000 1.090 465 N HN 0.616 nan 8.380 nan 0.000 0.558 466 G N 0.073 108.880 108.800 0.011 0.000 2.651 466 G HA2 0.449 4.409 3.960 -0.000 0.000 0.260 466 G HA3 0.449 4.409 3.960 -0.000 0.000 0.260 466 G C 0.163 175.107 174.900 0.074 0.000 1.216 466 G CA -0.073 45.030 45.100 0.005 0.000 0.913 466 G HN 0.431 nan 8.290 nan 0.000 0.535 467 N N -1.715 117.077 118.700 0.154 0.000 2.774 467 N HA 0.306 5.046 4.740 -0.000 0.000 0.264 467 N C -0.964 174.713 175.510 0.279 0.000 1.415 467 N CA -0.617 52.538 53.050 0.176 0.000 0.815 467 N CB 1.201 39.787 38.487 0.165 0.000 1.514 467 N HN 0.324 nan 8.380 nan 0.000 0.523 468 T N 0.806 115.443 114.554 0.137 0.000 2.913 468 T HA 0.336 4.686 4.350 -0.000 0.000 0.297 468 T C -0.103 174.470 174.700 -0.211 0.000 1.029 468 T CA -0.210 61.941 62.100 0.085 0.000 1.104 468 T CB 0.408 69.289 68.868 0.022 0.000 0.964 468 T HN 0.364 nan 8.240 nan 0.000 0.532 469 L N 2.093 123.036 121.223 -0.467 0.000 2.334 469 L HA 0.595 4.935 4.340 -0.000 0.000 0.276 469 L C -0.376 176.260 176.870 -0.390 0.000 1.014 469 L CA -0.032 54.282 54.840 -0.876 0.000 0.815 469 L CB 2.111 43.051 42.059 -1.865 0.000 1.268 469 L HN 0.530 nan 8.230 nan 0.000 0.428 470 S N 3.075 118.586 115.700 -0.314 0.000 2.530 470 S HA 0.667 5.137 4.470 -0.000 0.000 0.322 470 S C -0.952 173.582 174.600 -0.109 0.000 1.085 470 S CA -0.493 57.622 58.200 -0.142 0.000 1.096 470 S CB 1.276 64.417 63.200 -0.098 0.000 0.988 470 S HN 0.367 nan 8.310 nan 0.000 0.466 471 V N 3.412 123.306 119.914 -0.034 0.000 2.459 471 V HA 0.695 4.815 4.120 -0.000 0.000 0.295 471 V C 0.963 177.052 176.094 -0.009 0.000 1.029 471 V CA -0.547 61.741 62.300 -0.020 0.000 0.874 471 V CB 1.525 33.366 31.823 0.030 0.000 0.985 471 V HN 0.871 nan 8.190 nan 0.000 0.438 472 G N 2.881 111.671 108.800 -0.016 0.000 2.531 472 G HA2 0.508 4.468 3.960 -0.000 0.000 0.281 472 G HA3 0.508 4.468 3.960 -0.000 0.000 0.281 472 G C 0.212 175.103 174.900 -0.014 0.000 1.382 472 G CA -0.071 45.020 45.100 -0.014 0.000 1.045 472 G HN 0.869 nan 8.290 nan 0.000 0.533 473 S N -1.968 113.724 115.700 -0.014 0.000 2.603 473 S HA 0.467 4.937 4.470 -0.000 0.000 0.268 473 S C 1.289 175.882 174.600 -0.012 0.000 1.317 473 S CA 0.565 58.756 58.200 -0.015 0.000 1.012 473 S CB 1.077 64.269 63.200 -0.014 0.000 0.926 473 S HN 2.370 nan 8.310 nan 0.000 0.539 474 G N 0.590 109.382 108.800 -0.014 0.000 2.179 474 G HA2 0.076 4.036 3.960 -0.000 0.000 0.260 474 G HA3 0.076 4.036 3.960 -0.000 0.000 0.260 474 G C 1.210 176.106 174.900 -0.008 0.000 0.977 474 G CA 0.527 45.622 45.100 -0.007 0.000 0.641 474 G HN 2.408 nan 8.290 nan 0.000 0.533 475 G N -0.972 107.817 108.800 -0.017 0.000 2.159 475 G HA2 0.184 4.144 3.960 -0.000 0.000 0.256 475 G HA3 0.184 4.144 3.960 -0.000 0.000 0.256 475 G C 0.783 175.674 174.900 -0.016 0.000 0.977 475 G CA 1.207 46.292 45.100 -0.025 0.000 0.652 475 G HN 2.340 nan 8.290 nan 0.000 0.531 476 A N 0.090 122.908 122.820 -0.003 0.000 2.409 476 A HA 0.808 5.128 4.320 -0.000 0.000 0.267 476 A C 0.804 178.386 177.584 -0.004 0.000 1.127 476 A CA 0.975 53.019 52.037 0.011 0.000 0.795 476 A CB 0.568 19.581 19.000 0.020 0.000 1.061 476 A HN 2.043 nan 8.150 nan 0.000 0.502 477 A N 2.972 125.794 122.820 0.002 0.000 2.310 477 A HA 0.612 4.932 4.320 -0.000 0.000 0.299 477 A C 0.711 178.314 177.584 0.031 0.000 1.147 477 A CA -0.368 51.656 52.037 -0.023 0.000 0.818 477 A CB 0.176 19.143 19.000 -0.055 0.000 1.096 477 A HN 0.924 nan 8.150 nan 0.000 0.495 478 S N 1.391 117.098 115.700 0.013 0.000 2.579 478 S HA 0.083 4.553 4.470 -0.000 0.000 0.275 478 S C 0.438 175.106 174.600 0.114 0.000 1.345 478 S CA -0.383 57.841 58.200 0.041 0.000 1.031 478 S CB 0.078 63.286 63.200 0.014 0.000 0.892 478 S HN 0.784 nan 8.310 nan 0.000 0.529 479 N N 1.254 119.999 118.700 0.074 0.000 2.353 479 N HA 0.310 5.050 4.740 -0.000 0.000 0.248 479 N C -0.569 175.022 175.510 0.135 0.000 1.240 479 N CA 0.403 53.480 53.050 0.045 0.000 0.862 479 N CB 0.046 38.535 38.487 0.002 0.000 1.086 479 N HN 0.554 nan 8.380 nan 0.000 0.453 480 F N -2.141 117.750 119.950 -0.099 0.000 2.686 480 F HA 0.484 5.011 4.527 0.000 0.000 0.311 480 F C -0.944 174.805 175.800 -0.085 0.000 1.128 480 F CA -1.147 56.802 58.000 -0.086 0.000 0.946 480 F CB 0.944 39.885 39.000 -0.097 0.000 1.336 480 F HN 0.066 nan 8.300 nan 0.000 0.457 481 T N 3.371 117.981 114.554 0.093 0.000 2.767 481 T HA 0.488 4.838 4.350 -0.000 0.000 0.288 481 T C -0.991 173.779 174.700 0.117 0.000 0.963 481 T CA -0.261 61.833 62.100 -0.009 0.000 1.019 481 T CB 1.055 69.945 68.868 0.036 0.000 0.923 481 T HN 0.668 nan 8.240 nan 0.000 0.468 482 L N 4.758 125.964 121.223 -0.028 0.000 2.259 482 L HA 0.658 4.998 4.340 -0.000 0.000 0.288 482 L C 0.522 177.423 176.870 0.053 0.000 1.051 482 L CA -0.504 54.391 54.840 0.091 0.000 0.824 482 L CB -0.374 41.686 42.059 0.001 0.000 1.206 482 L HN 0.767 nan 8.230 nan 0.000 0.429 483 A N 4.399 127.270 122.820 0.085 0.000 2.536 483 A HA 0.501 4.821 4.320 -0.000 0.000 0.234 483 A C 0.642 178.255 177.584 0.049 0.000 1.076 483 A CA 0.237 52.309 52.037 0.059 0.000 0.769 483 A CB -0.154 18.884 19.000 0.063 0.000 1.020 483 A HN 1.157 nan 8.150 nan 0.000 0.508 484 A N 0.336 123.181 122.820 0.041 0.000 2.520 484 A HA 0.476 4.796 4.320 -0.000 0.000 0.245 484 A C 1.675 179.290 177.584 0.052 0.000 1.072 484 A CA 0.750 52.812 52.037 0.042 0.000 0.761 484 A CB -0.992 18.030 19.000 0.036 0.000 1.004 484 A HN 2.779 nan 8.150 nan 0.000 0.499 485 G N 1.898 110.736 108.800 0.062 0.000 2.180 485 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.263 485 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.263 485 G C 0.865 175.808 174.900 0.072 0.000 0.989 485 G CA 0.794 45.940 45.100 0.077 0.000 0.692 485 G HN 1.966 nan 8.290 nan 0.000 0.526 486 G N -0.718 108.122 108.800 0.066 0.000 2.441 486 G HA2 0.543 4.503 3.960 -0.000 0.000 0.243 486 G HA3 0.543 4.503 3.960 -0.000 0.000 0.243 486 G C -0.089 174.840 174.900 0.049 0.000 1.281 486 G CA 0.893 46.028 45.100 0.058 0.000 0.854 486 G HN 0.752 nan 8.290 nan 0.000 0.560 487 T N 0.398 114.955 114.554 0.006 0.000 3.011 487 T HA 0.646 4.996 4.350 -0.000 0.000 0.303 487 T C -0.281 174.325 174.700 -0.157 0.000 0.997 487 T CA -0.035 62.038 62.100 -0.045 0.000 1.007 487 T CB 1.656 70.512 68.868 -0.020 0.000 1.017 487 T HN 1.074 nan 8.240 nan 0.000 0.443 488 A N 2.494 125.119 122.820 -0.325 0.000 2.498 488 A HA 0.921 5.240 4.320 -0.000 0.000 0.298 488 A C -1.226 175.795 177.584 -0.939 0.000 1.075 488 A CA -0.740 50.914 52.037 -0.639 0.000 0.714 488 A CB 1.636 20.159 19.000 -0.795 0.000 1.299 488 A HN 0.657 nan 8.150 nan 0.000 0.407 489 V N 1.968 121.322 119.914 -0.933 0.000 2.531 489 V HA 0.547 4.667 4.120 -0.000 0.000 0.301 489 V C -1.171 174.485 176.094 -0.729 0.000 1.034 489 V CA -0.510 61.349 62.300 -0.734 0.000 0.865 489 V CB 1.440 33.047 31.823 -0.359 0.000 0.995 489 V HN 0.826 nan 8.190 nan 0.000 0.424 490 W N 4.109 125.342 121.300 -0.112 0.000 2.702 490 W HA 0.743 5.403 4.660 -0.000 0.000 0.331 490 W C -0.210 176.238 176.519 -0.119 0.000 1.049 490 W CA -0.591 56.687 57.345 -0.112 0.000 1.230 490 W CB 2.055 31.379 29.460 -0.227 0.000 1.408 490 W HN 0.734 nan 8.180 nan 0.000 0.492 491 Q N 1.415 121.328 119.800 0.187 0.000 2.565 491 Q HA 0.700 5.040 4.340 -0.000 0.000 0.294 491 Q C -2.226 173.953 176.000 0.298 0.000 1.005 491 Q CA -1.104 54.784 55.803 0.142 0.000 0.771 491 Q CB 3.522 32.312 28.738 0.086 0.000 1.486 491 Q HN 0.398 nan 8.270 nan 0.000 0.422 492 Y N 0.406 120.770 120.300 0.107 0.000 2.399 492 Y HA 0.558 5.108 4.550 0.000 0.000 0.327 492 Y C -1.835 174.120 175.900 0.091 0.000 1.111 492 Y CA -0.090 58.105 58.100 0.159 0.000 1.047 492 Y CB 2.325 40.900 38.460 0.191 0.000 1.259 492 Y HN 0.942 nan 8.280 nan 0.000 0.434 493 T N 2.712 116.889 114.554 -0.629 0.000 2.893 493 T HA 1.005 5.355 4.350 -0.000 0.000 0.291 493 T C -0.851 173.405 174.700 -0.740 0.000 1.028 493 T CA -0.252 61.508 62.100 -0.567 0.000 0.995 493 T CB 1.718 70.450 68.868 -0.227 0.000 1.051 493 T HN 1.425 nan 8.240 nan 0.000 0.470 494 A N 1.302 123.827 122.820 -0.490 0.000 2.601 494 A HA 0.902 5.222 4.320 -0.000 0.000 0.291 494 A C -0.179 177.333 177.584 -0.121 0.000 1.075 494 A CA -0.721 51.149 52.037 -0.278 0.000 0.671 494 A CB 0.706 19.578 19.000 -0.212 0.000 1.277 494 A HN 1.757 nan 8.150 nan 0.000 0.417 495 A N 0.501 123.283 122.820 -0.063 0.000 2.498 495 A HA 0.537 4.857 4.320 -0.000 0.000 0.239 495 A C 0.440 178.009 177.584 -0.026 0.000 1.068 495 A CA 0.762 52.777 52.037 -0.037 0.000 0.766 495 A CB -0.433 18.555 19.000 -0.020 0.000 1.003 495 A HN 0.991 nan 8.150 nan 0.000 0.497 496 T N 2.398 116.930 114.554 -0.037 0.000 2.749 496 T HA 0.458 4.808 4.350 -0.000 0.000 0.287 496 T C 1.322 176.001 174.700 -0.035 0.000 0.970 496 T CA 0.255 62.325 62.100 -0.050 0.000 0.980 496 T CB 1.550 70.356 68.868 -0.103 0.000 0.924 496 T HN 0.858 nan 8.240 nan 0.000 0.456 497 A N 3.203 126.013 122.820 -0.017 0.000 1.930 497 A HA 0.134 4.454 4.320 -0.000 0.000 0.215 497 A C 1.562 179.154 177.584 0.013 0.000 1.176 497 A CA 0.669 52.709 52.037 0.004 0.000 0.632 497 A CB -0.346 18.661 19.000 0.012 0.000 0.819 497 A HN 0.749 nan 8.150 nan 0.000 0.445 498 T N -1.387 113.164 114.554 -0.005 0.000 2.875 498 T HA 0.549 4.899 4.350 -0.000 0.000 0.284 498 T C -3.131 171.577 174.700 0.013 0.000 0.995 498 T CA -2.494 59.615 62.100 0.015 0.000 1.060 498 T CB 1.453 70.323 68.868 0.003 0.000 0.967 498 T HN -0.027 nan 8.240 nan 0.000 0.476 499 P HA 0.252 nan 4.420 nan 0.000 0.263 499 P C -0.641 176.731 177.300 0.121 0.000 1.195 499 P CA 0.005 63.228 63.100 0.206 0.000 0.762 499 P CB 0.215 32.131 31.700 0.361 0.000 0.799 500 T N 4.400 118.976 114.554 0.036 0.000 2.937 500 T HA 0.452 4.802 4.350 -0.000 0.000 0.297 500 T C 0.203 175.012 174.700 0.182 0.000 0.991 500 T CA -0.403 61.677 62.100 -0.033 0.000 0.990 500 T CB 0.574 69.171 68.868 -0.451 0.000 0.991 500 T HN 0.170 nan 8.240 nan 0.000 0.440 501 I N 2.566 123.308 120.570 0.288 0.000 2.352 501 I HA 0.377 4.547 4.170 -0.000 0.000 0.290 501 I C 1.359 177.659 176.117 0.306 0.000 1.036 501 I CA -0.008 61.469 61.300 0.294 0.000 1.336 501 I CB 1.201 39.296 38.000 0.158 0.000 1.407 501 I HN 0.904 nan 8.210 nan 0.000 0.497 502 G N 5.028 113.805 108.800 -0.040 0.000 2.784 502 G HA2 0.046 4.006 3.960 -0.000 0.000 0.208 502 G HA3 0.046 4.006 3.960 -0.000 0.000 0.208 502 G C 0.315 174.912 174.900 -0.506 0.000 1.120 502 G CA 0.296 45.060 45.100 -0.560 0.000 0.774 502 G HN 0.632 nan 8.290 nan 0.000 0.528 503 H N -1.154 117.498 119.070 -0.697 0.000 3.060 503 H HA 0.459 5.015 4.556 -0.000 0.000 0.330 503 H C -2.174 172.720 175.328 -0.722 0.000 1.305 503 H CA -0.272 55.412 56.048 -0.606 0.000 1.209 503 H CB 2.136 31.719 29.762 -0.298 0.000 1.913 503 H HN -0.097 nan 8.280 nan 0.000 0.534 504 V N 2.126 121.299 119.914 -1.235 0.000 2.686 504 V HA 0.694 4.814 4.120 -0.000 0.000 0.306 504 V C 0.048 175.908 176.094 -0.389 0.000 1.065 504 V CA -0.141 61.763 62.300 -0.659 0.000 0.894 504 V CB 1.782 33.254 31.823 -0.586 0.000 1.004 504 V HN 0.911 nan 8.190 nan 0.000 0.424 505 G N 4.479 113.263 108.800 -0.026 0.000 2.759 505 G HA2 0.734 4.694 3.960 -0.000 0.000 0.297 505 G HA3 0.734 4.694 3.960 -0.000 0.000 0.297 505 G C -3.405 171.604 174.900 0.181 0.000 1.434 505 G CA -1.136 44.058 45.100 0.156 0.000 0.980 505 G HN 0.478 nan 8.290 nan 0.000 0.531 506 P HA 0.259 nan 4.420 nan 0.000 0.275 506 P C 0.390 177.815 177.300 0.209 0.000 1.266 506 P CA -0.417 62.792 63.100 0.181 0.000 0.793 506 P CB 1.050 32.821 31.700 0.119 0.000 1.074 507 M N -0.713 118.923 119.600 0.060 0.000 2.383 507 M HA 0.287 4.767 4.480 -0.000 0.000 0.247 507 M C 0.443 176.400 176.300 -0.572 0.000 1.117 507 M CA 0.420 55.665 55.300 -0.091 0.000 0.995 507 M CB -0.560 32.044 32.600 0.006 0.000 1.480 507 M HN 0.430 nan 8.290 nan 0.000 0.485 508 M N 0.829 120.179 119.600 -0.415 0.000 2.255 508 M HA 0.599 5.079 4.480 -0.000 0.000 0.275 508 M C -2.143 174.043 176.300 -0.191 0.000 1.050 508 M CA -0.180 54.871 55.300 -0.415 0.000 0.978 508 M CB 2.087 34.542 32.600 -0.241 0.000 1.761 508 M HN 0.047 nan 8.290 nan 0.000 0.479 509 A N 3.674 126.416 122.820 -0.130 0.000 2.544 509 A HA 0.598 4.918 4.320 -0.000 0.000 0.291 509 A C -1.893 175.723 177.584 0.054 0.000 1.055 509 A CA -0.959 51.085 52.037 0.012 0.000 0.651 509 A CB 1.515 20.571 19.000 0.094 0.000 1.296 509 A HN 0.877 nan 8.150 nan 0.000 0.431 510 K N 0.216 120.638 120.400 0.037 0.000 2.090 510 K HA 0.680 5.000 4.320 -0.000 0.000 0.250 510 K C -2.645 173.964 176.600 0.014 0.000 1.004 510 K CA -1.552 54.750 56.287 0.026 0.000 0.919 510 K CB 0.495 33.000 32.500 0.008 0.000 1.045 510 K HN 0.282 nan 8.250 nan 0.000 0.471 511 P HA -0.017 nan 4.420 nan 0.000 0.267 511 P C 0.538 177.802 177.300 -0.060 0.000 1.200 511 P CA 1.068 64.122 63.100 -0.076 0.000 0.772 511 P CB 0.554 32.196 31.700 -0.097 0.000 0.855 512 G N 0.460 109.209 108.800 -0.084 0.000 2.258 512 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.233 512 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.233 512 G C 0.104 174.982 174.900 -0.036 0.000 1.006 512 G CA -0.057 45.008 45.100 -0.059 0.000 0.620 512 G HN 0.552 nan 8.290 nan 0.000 0.511 513 V N 2.246 122.152 119.914 -0.014 0.000 2.811 513 V HA 0.469 4.589 4.120 -0.000 0.000 0.302 513 V C 1.014 177.118 176.094 0.017 0.000 1.063 513 V CA 0.695 63.002 62.300 0.011 0.000 1.088 513 V CB 1.459 33.308 31.823 0.044 0.000 0.982 513 V HN 0.336 nan 8.190 nan 0.000 0.485 514 T N 6.289 120.852 114.554 0.014 0.000 2.780 514 T HA 0.545 4.895 4.350 -0.000 0.000 0.294 514 T C -0.059 174.670 174.700 0.048 0.000 0.949 514 T CA -0.022 62.089 62.100 0.017 0.000 1.074 514 T CB 0.379 69.246 68.868 -0.002 0.000 0.910 514 T HN 0.597 nan 8.240 nan 0.000 0.501 515 I N 0.004 120.605 120.570 0.053 0.000 2.822 515 I HA 0.749 4.919 4.170 -0.000 0.000 0.312 515 I C -0.439 175.679 176.117 0.001 0.000 1.011 515 I CA -0.806 60.532 61.300 0.064 0.000 1.105 515 I CB 2.080 40.134 38.000 0.089 0.000 1.291 515 I HN 0.324 nan 8.210 nan 0.000 0.474 516 T N 5.340 119.895 114.554 0.002 0.000 2.786 516 T HA 0.583 4.933 4.350 -0.000 0.000 0.283 516 T C -0.248 174.400 174.700 -0.087 0.000 0.992 516 T CA -0.175 61.905 62.100 -0.033 0.000 0.954 516 T CB 0.890 69.769 68.868 0.019 0.000 0.934 516 T HN 0.383 nan 8.240 nan 0.000 0.440 517 I N 3.579 124.046 120.570 -0.171 0.000 2.330 517 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 517 I C -0.340 175.714 176.117 -0.105 0.000 1.001 517 I CA -0.696 60.456 61.300 -0.247 0.000 1.193 517 I CB 1.130 38.874 38.000 -0.425 0.000 1.345 517 I HN 0.460 nan 8.210 nan 0.000 0.461 518 D N 4.512 124.880 120.400 -0.053 0.000 2.269 518 D HA 0.793 5.433 4.640 -0.000 0.000 0.244 518 D C 0.264 176.511 176.300 -0.089 0.000 0.992 518 D CA -0.030 53.972 54.000 0.004 0.000 0.894 518 D CB 2.540 43.295 40.800 -0.075 0.000 1.248 518 D HN 0.753 nan 8.370 nan 0.000 0.468 519 G N 0.502 109.184 108.800 -0.196 0.000 2.566 519 G HA2 0.245 4.205 3.960 -0.000 0.000 0.138 519 G HA3 0.245 4.205 3.960 -0.000 0.000 0.138 519 G C -1.305 173.343 174.900 -0.420 0.000 1.133 519 G CA -0.586 44.329 45.100 -0.309 0.000 1.037 519 G HN 0.321 nan 8.290 nan 0.000 0.491 520 R N -0.837 119.328 120.500 -0.557 0.000 2.739 520 R HA 0.606 4.946 4.340 -0.000 0.000 0.271 520 R C 0.516 176.483 176.300 -0.554 0.000 1.010 520 R CA -0.027 55.806 56.100 -0.444 0.000 0.897 520 R CB 1.244 31.515 30.300 -0.048 0.000 1.236 520 R HN 2.251 nan 8.270 nan 0.000 0.466 521 G N 0.987 109.600 108.800 -0.312 0.000 2.160 521 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.251 521 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.251 521 G C 0.307 175.249 174.900 0.070 0.000 1.008 521 G CA 0.364 45.400 45.100 -0.107 0.000 0.724 521 G HN 0.439 nan 8.290 nan 0.000 0.514 522 F N 0.930 120.913 119.950 0.055 0.000 2.407 522 F HA 0.371 4.898 4.527 -0.000 0.000 0.299 522 F C 2.071 178.117 175.800 0.410 0.000 1.097 522 F CA 1.205 59.284 58.000 0.133 0.000 1.422 522 F CB -0.720 38.136 39.000 -0.241 0.000 1.067 522 F HN 1.171 nan 8.300 nan 0.000 0.539 523 G N -0.273 108.782 108.800 0.425 0.000 2.746 523 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.685 523 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.685 523 G C 0.691 175.841 174.900 0.417 0.000 1.350 523 G CA -0.109 45.197 45.100 0.342 0.000 0.837 523 G HN 0.392 nan 8.290 nan 0.000 0.564 524 S N -1.300 114.544 115.700 0.240 0.000 2.478 524 S HA 0.391 4.861 4.470 -0.000 0.000 0.222 524 S C 1.177 175.862 174.600 0.142 0.000 1.008 524 S CA 1.235 59.566 58.200 0.217 0.000 0.928 524 S CB 0.296 63.566 63.200 0.117 0.000 0.781 524 S HN 1.200 nan 8.310 nan 0.000 0.518 525 S N 1.973 117.669 115.700 -0.006 0.000 2.525 525 S HA 0.343 4.813 4.470 -0.000 0.000 0.278 525 S C -0.109 174.092 174.600 -0.666 0.000 1.234 525 S CA -0.666 57.411 58.200 -0.206 0.000 1.058 525 S CB 0.895 63.997 63.200 -0.163 0.000 0.983 525 S HN 0.327 nan 8.310 nan 0.000 0.495 526 K N 1.645 121.642 120.400 -0.672 0.000 2.511 526 K HA 0.119 4.439 4.320 -0.000 0.000 0.280 526 K C 0.831 176.706 176.600 -1.208 0.000 1.008 526 K CA 0.084 55.739 56.287 -1.053 0.000 1.050 526 K CB 0.240 32.482 32.500 -0.431 0.000 0.889 526 K HN 0.771 nan 8.250 nan 0.000 0.484 527 G N 1.687 109.267 108.800 -2.033 0.000 3.310 527 G HA2 0.316 4.276 3.960 -0.000 0.000 0.176 527 G HA3 0.316 4.276 3.960 -0.000 0.000 0.176 527 G C -0.830 173.762 174.900 -0.512 0.000 1.307 527 G CA -0.221 44.226 45.100 -1.089 0.000 0.935 527 G HN 0.519 nan 8.290 nan 0.000 0.628 528 T N -0.301 114.152 114.554 -0.169 0.000 2.893 528 T HA 0.568 4.918 4.350 -0.000 0.000 0.293 528 T C -1.012 173.653 174.700 -0.058 0.000 1.027 528 T CA -0.248 61.763 62.100 -0.149 0.000 0.988 528 T CB 2.134 70.841 68.868 -0.268 0.000 1.043 528 T HN 0.297 nan 8.240 nan 0.000 0.461 529 V N 3.057 122.866 119.914 -0.174 0.000 2.459 529 V HA 0.510 4.630 4.120 -0.000 0.000 0.295 529 V C -1.347 174.569 176.094 -0.297 0.000 1.029 529 V CA -0.870 61.344 62.300 -0.143 0.000 0.874 529 V CB 1.117 32.902 31.823 -0.064 0.000 0.985 529 V HN 0.815 nan 8.190 nan 0.000 0.438 530 Y N 3.614 123.864 120.300 -0.083 0.000 2.352 530 Y HA 0.620 5.170 4.550 0.000 0.000 0.339 530 Y C -0.460 175.339 175.900 -0.170 0.000 0.992 530 Y CA -0.903 57.182 58.100 -0.025 0.000 1.100 530 Y CB 1.588 40.048 38.460 -0.001 0.000 1.192 530 Y HN 0.511 nan 8.280 nan 0.000 0.458 531 F N 2.558 122.552 119.950 0.073 0.000 2.311 531 F HA 0.539 5.066 4.527 -0.000 0.000 0.371 531 F C 0.949 176.883 175.800 0.223 0.000 1.083 531 F CA -0.355 57.650 58.000 0.009 0.000 1.113 531 F CB 0.771 39.612 39.000 -0.266 0.000 1.349 531 F HN 0.812 nan 8.300 nan 0.000 0.470 532 G N 2.183 111.228 108.800 0.408 0.000 2.556 532 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.283 532 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.283 532 G C 1.194 176.266 174.900 0.286 0.000 1.177 532 G CA 0.500 45.833 45.100 0.387 0.000 0.978 532 G HN 0.745 nan 8.290 nan 0.000 0.554 533 T N -1.902 112.812 114.554 0.266 0.000 3.067 533 T HA 0.320 4.670 4.350 -0.000 0.000 0.257 533 T C 1.254 176.120 174.700 0.276 0.000 1.105 533 T CA 1.719 63.951 62.100 0.221 0.000 1.104 533 T CB -0.190 68.769 68.868 0.152 0.000 0.925 533 T HN 0.841 nan 8.240 nan 0.000 0.498 534 T N 3.270 117.983 114.554 0.266 0.000 2.834 534 T HA 0.564 4.914 4.350 -0.000 0.000 0.298 534 T C 0.188 174.986 174.700 0.165 0.000 0.966 534 T CA -0.267 61.944 62.100 0.184 0.000 1.141 534 T CB 0.636 69.570 68.868 0.109 0.000 0.905 534 T HN 0.554 nan 8.240 nan 0.000 0.535 535 A N 3.647 126.494 122.820 0.046 0.000 2.301 535 A HA 0.667 4.987 4.320 -0.000 0.000 0.312 535 A C -0.335 177.159 177.584 -0.149 0.000 1.182 535 A CA -0.609 51.309 52.037 -0.198 0.000 0.826 535 A CB 0.686 19.553 19.000 -0.221 0.000 1.134 535 A HN 0.675 nan 8.150 nan 0.000 0.501 536 V N 2.571 122.373 119.914 -0.187 0.000 2.487 536 V HA 0.726 4.846 4.120 -0.000 0.000 0.298 536 V C 0.075 176.096 176.094 -0.121 0.000 1.028 536 V CA 0.133 62.374 62.300 -0.099 0.000 0.860 536 V CB 1.387 33.211 31.823 0.003 0.000 0.991 536 V HN 1.293 nan 8.190 nan 0.000 0.427 537 S N 2.764 118.405 115.700 -0.099 0.000 2.656 537 S HA 0.963 5.433 4.470 -0.000 0.000 0.273 537 S C 0.095 174.648 174.600 -0.077 0.000 1.168 537 S CA 0.153 58.293 58.200 -0.100 0.000 0.817 537 S CB 1.606 64.725 63.200 -0.136 0.000 1.146 537 S HN 2.199 nan 8.310 nan 0.000 0.475 538 G N 1.361 110.111 108.800 -0.083 0.000 2.527 538 G HA2 0.080 4.040 3.960 -0.000 0.000 0.268 538 G HA3 0.080 4.040 3.960 -0.000 0.000 0.268 538 G C 1.104 175.979 174.900 -0.042 0.000 1.175 538 G CA 1.059 46.120 45.100 -0.065 0.000 0.962 538 G HN 1.999 nan 8.290 nan 0.000 0.560 539 A N -0.926 121.872 122.820 -0.037 0.000 1.927 539 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 539 A C 1.980 179.550 177.584 -0.022 0.000 1.185 539 A CA 2.909 54.929 52.037 -0.028 0.000 0.639 539 A CB -0.754 18.229 19.000 -0.029 0.000 0.820 539 A HN 0.766 nan 8.150 nan 0.000 0.451 540 D N -0.563 119.818 120.400 -0.030 0.000 2.309 540 D HA -0.010 4.630 4.640 -0.000 0.000 0.212 540 D C 0.424 176.720 176.300 -0.007 0.000 0.968 540 D CA 0.572 54.553 54.000 -0.031 0.000 0.882 540 D CB -0.246 40.521 40.800 -0.055 0.000 0.918 540 D HN 0.500 nan 8.370 nan 0.000 0.503 541 I N 1.240 121.817 120.570 0.011 0.000 2.278 541 I HA 0.003 4.173 4.170 -0.000 0.000 0.296 541 I C 1.311 177.458 176.117 0.050 0.000 1.121 541 I CA -0.130 61.204 61.300 0.056 0.000 1.267 541 I CB 1.041 39.109 38.000 0.113 0.000 1.447 541 I HN -0.174 nan 8.210 nan 0.000 0.509 542 T N 2.798 117.372 114.554 0.033 0.000 2.684 542 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 542 T C 0.774 175.501 174.700 0.045 0.000 1.036 542 T CA 1.404 63.519 62.100 0.025 0.000 1.148 542 T CB -0.073 68.800 68.868 0.008 0.000 0.863 542 T HN 0.711 nan 8.240 nan 0.000 0.436 543 S N -0.816 114.925 115.700 0.069 0.000 2.550 543 S HA 0.561 5.031 4.470 -0.000 0.000 0.270 543 S C -2.216 172.491 174.600 0.177 0.000 1.145 543 S CA -1.122 57.138 58.200 0.100 0.000 0.852 543 S CB 2.352 65.585 63.200 0.055 0.000 1.119 543 S HN 0.417 nan 8.310 nan 0.000 0.465 544 W N 3.150 124.441 121.300 -0.014 0.000 3.211 544 W HA 0.542 5.202 4.660 -0.000 0.000 0.335 544 W C -1.487 175.052 176.519 0.033 0.000 1.113 544 W CA -0.490 56.853 57.345 -0.004 0.000 1.235 544 W CB 1.650 31.094 29.460 -0.027 0.000 1.365 544 W HN 1.160 nan 8.180 nan 0.000 0.476 545 E N 1.741 122.022 120.200 0.134 0.000 2.446 545 E HA 0.244 4.594 4.350 -0.000 0.000 0.276 545 E C -0.261 176.422 176.600 0.137 0.000 0.969 545 E CA -0.588 55.929 56.400 0.195 0.000 0.800 545 E CB 1.873 31.641 29.700 0.113 0.000 1.341 545 E HN 0.177 nan 8.360 nan 0.000 0.460 546 D N 0.066 120.554 120.400 0.146 0.000 2.149 546 D HA -0.211 4.429 4.640 -0.000 0.000 0.194 546 D C 1.612 177.846 176.300 -0.109 0.000 1.001 546 D CA 2.936 56.983 54.000 0.078 0.000 0.849 546 D CB 0.146 40.968 40.800 0.035 0.000 0.939 546 D HN 0.591 nan 8.370 nan 0.000 0.449 547 T N -3.710 110.799 114.554 -0.075 0.000 3.044 547 T HA 0.148 4.498 4.350 -0.000 0.000 0.260 547 T C 0.393 175.105 174.700 0.020 0.000 1.019 547 T CA -0.511 61.491 62.100 -0.165 0.000 0.921 547 T CB 0.416 69.229 68.868 -0.091 0.000 1.053 547 T HN 0.174 nan 8.240 nan 0.000 0.533 548 Q N 0.249 120.117 119.800 0.114 0.000 2.320 548 Q HA 0.620 4.960 4.340 -0.000 0.000 0.272 548 Q C -2.189 173.738 176.000 -0.122 0.000 1.023 548 Q CA -0.850 54.982 55.803 0.049 0.000 0.855 548 Q CB 1.896 30.629 28.738 -0.007 0.000 1.367 548 Q HN 0.452 nan 8.270 nan 0.000 0.406 549 I N 2.986 123.398 120.570 -0.264 0.000 2.509 549 I HA 0.478 4.648 4.170 -0.000 0.000 0.293 549 I C -0.712 175.289 176.117 -0.193 0.000 1.020 549 I CA -0.930 60.146 61.300 -0.374 0.000 1.088 549 I CB 1.944 39.485 38.000 -0.766 0.000 1.267 549 I HN 0.340 nan 8.210 nan 0.000 0.430 550 K N 5.517 125.862 120.400 -0.092 0.000 2.307 550 K HA 0.666 4.986 4.320 -0.000 0.000 0.263 550 K C -1.277 175.312 176.600 -0.020 0.000 0.973 550 K CA -0.571 55.688 56.287 -0.047 0.000 0.846 550 K CB 2.543 35.031 32.500 -0.020 0.000 1.100 550 K HN 0.392 nan 8.250 nan 0.000 0.438 551 V N 2.681 122.584 119.914 -0.017 0.000 2.888 551 V HA 0.372 4.492 4.120 -0.000 0.000 0.309 551 V C -1.150 174.955 176.094 0.018 0.000 1.114 551 V CA -0.966 61.342 62.300 0.015 0.000 0.940 551 V CB 2.115 33.959 31.823 0.036 0.000 1.021 551 V HN 0.650 nan 8.190 nan 0.000 0.426 552 K N 5.679 126.072 120.400 -0.012 0.000 2.249 552 K HA 0.507 4.827 4.320 -0.000 0.000 0.280 552 K C -0.384 176.123 176.600 -0.155 0.000 1.033 552 K CA -0.253 56.001 56.287 -0.056 0.000 0.946 552 K CB 1.191 33.651 32.500 -0.067 0.000 1.005 552 K HN 0.597 nan 8.250 nan 0.000 0.469 553 I N 5.970 126.418 120.570 -0.204 0.000 2.598 553 I HA 0.007 4.177 4.170 -0.000 0.000 0.284 553 I C -1.684 174.119 176.117 -0.523 0.000 1.140 553 I CA -1.689 59.297 61.300 -0.523 0.000 1.420 553 I CB 0.175 38.016 38.000 -0.265 0.000 1.387 553 I HN 0.378 nan 8.210 nan 0.000 0.553 554 P HA 0.042 nan 4.420 nan 0.000 0.272 554 P C -0.478 176.613 177.300 -0.348 0.000 1.230 554 P CA -0.513 62.306 63.100 -0.469 0.000 0.788 554 P CB 0.700 32.110 31.700 -0.484 0.000 0.949 555 A N 2.092 124.785 122.820 -0.211 0.000 3.029 555 A HA 0.307 4.627 4.320 -0.000 0.000 0.251 555 A C 0.787 178.302 177.584 -0.115 0.000 1.749 555 A CA -0.342 51.613 52.037 -0.137 0.000 1.386 555 A CB -1.658 17.289 19.000 -0.087 0.000 1.043 555 A HN 0.423 nan 8.150 nan 0.000 0.638 556 V N -2.243 117.572 119.914 -0.165 0.000 2.997 556 V HA 0.812 4.932 4.120 -0.000 0.000 0.311 556 V C 0.728 176.830 176.094 0.013 0.000 1.066 556 V CA -0.838 61.408 62.300 -0.090 0.000 1.039 556 V CB 0.691 32.393 31.823 -0.201 0.000 1.081 556 V HN 0.841 nan 8.190 nan 0.000 0.467 557 A N 1.760 124.650 122.820 0.116 0.000 2.466 557 A HA 0.548 4.868 4.320 -0.000 0.000 0.238 557 A C 0.998 178.710 177.584 0.213 0.000 1.074 557 A CA 0.317 52.438 52.037 0.140 0.000 0.774 557 A CB -0.609 18.477 19.000 0.144 0.000 1.015 557 A HN 2.048 nan 8.150 nan 0.000 0.498 558 G N -0.204 108.684 108.800 0.147 0.000 2.414 558 G HA2 0.566 4.526 3.960 -0.000 0.000 0.236 558 G HA3 0.566 4.526 3.960 -0.000 0.000 0.236 558 G C 0.432 175.457 174.900 0.208 0.000 1.293 558 G CA 0.602 45.800 45.100 0.163 0.000 0.869 558 G HN 1.939 nan 8.290 nan 0.000 0.556 559 G N 0.560 109.518 108.800 0.264 0.000 2.324 559 G HA2 0.267 4.227 3.960 -0.000 0.000 0.293 559 G HA3 0.267 4.227 3.960 -0.000 0.000 0.293 559 G C -1.323 173.673 174.900 0.159 0.000 1.297 559 G CA -0.973 44.203 45.100 0.126 0.000 0.853 559 G HN 0.789 nan 8.290 nan 0.000 0.535 560 N N -0.483 118.176 118.700 -0.068 0.000 2.419 560 N HA 0.700 5.439 4.740 -0.000 0.000 0.277 560 N C -1.427 174.004 175.510 -0.133 0.000 1.006 560 N CA -0.232 52.828 53.050 0.016 0.000 0.923 560 N CB 0.777 39.258 38.487 -0.009 0.000 1.140 560 N HN 0.432 nan 8.380 nan 0.000 0.488 561 Y N 0.897 121.334 120.300 0.229 0.000 2.499 561 Y HA 0.430 4.980 4.550 0.000 0.000 0.347 561 Y C -0.221 175.796 175.900 0.196 0.000 0.987 561 Y CA -1.124 57.113 58.100 0.229 0.000 1.044 561 Y CB 1.378 40.035 38.460 0.328 0.000 1.245 561 Y HN 0.427 nan 8.280 nan 0.000 0.461 562 N N 2.373 121.231 118.700 0.263 0.000 2.455 562 N HA 0.326 5.066 4.740 -0.000 0.000 0.280 562 N C -0.916 174.653 175.510 0.097 0.000 1.055 562 N CA -0.325 52.820 53.050 0.159 0.000 0.961 562 N CB 0.998 39.541 38.487 0.092 0.000 1.121 562 N HN 0.393 nan 8.380 nan 0.000 0.476 563 I N 1.244 121.835 120.570 0.034 0.000 2.385 563 I HA 0.377 4.547 4.170 -0.000 0.000 0.294 563 I C 0.537 176.626 176.117 -0.046 0.000 0.988 563 I CA -0.334 60.877 61.300 -0.149 0.000 1.265 563 I CB 0.568 38.402 38.000 -0.277 0.000 1.388 563 I HN 0.431 nan 8.210 nan 0.000 0.480 564 K N 4.892 125.260 120.400 -0.055 0.000 2.551 564 K HA 0.720 5.040 4.320 -0.000 0.000 0.269 564 K C -1.653 175.011 176.600 0.107 0.000 0.949 564 K CA -0.581 55.723 56.287 0.029 0.000 0.849 564 K CB 2.700 35.207 32.500 0.012 0.000 1.411 564 K HN 0.407 nan 8.250 nan 0.000 0.432 565 V N -1.277 118.699 119.914 0.103 0.000 3.102 565 V HA 1.008 5.128 4.120 -0.000 0.000 0.312 565 V C -1.362 174.894 176.094 0.270 0.000 1.135 565 V CA -0.658 61.736 62.300 0.156 0.000 1.022 565 V CB 1.614 33.363 31.823 -0.123 0.000 1.056 565 V HN 0.933 nan 8.190 nan 0.000 0.436 566 A N 2.130 125.165 122.820 0.357 0.000 2.422 566 A HA 0.815 5.135 4.320 -0.000 0.000 0.302 566 A C -0.394 177.363 177.584 0.289 0.000 1.041 566 A CA -0.610 51.607 52.037 0.300 0.000 0.708 566 A CB 1.276 20.465 19.000 0.316 0.000 1.257 566 A HN 1.427 nan 8.150 nan 0.000 0.414 567 N N 1.399 120.248 118.700 0.249 0.000 2.317 567 N HA 0.369 5.109 4.740 -0.000 0.000 0.245 567 N C 1.159 176.663 175.510 -0.009 0.000 1.294 567 N CA 0.144 53.316 53.050 0.204 0.000 0.924 567 N CB 0.356 38.981 38.487 0.230 0.000 1.186 567 N HN 0.734 nan 8.380 nan 0.000 0.495 568 A N -0.578 122.172 122.820 -0.118 0.000 2.024 568 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 568 A C 2.032 179.577 177.584 -0.065 0.000 1.164 568 A CA 2.021 53.965 52.037 -0.157 0.000 0.643 568 A CB -1.374 17.517 19.000 -0.181 0.000 0.806 568 A HN 0.886 nan 8.150 nan 0.000 0.451 569 A N -2.235 120.576 122.820 -0.015 0.000 2.167 569 A HA 0.397 4.716 4.320 -0.000 0.000 0.214 569 A C 1.876 179.470 177.584 0.018 0.000 1.151 569 A CA 1.310 53.349 52.037 0.004 0.000 0.735 569 A CB -0.675 18.337 19.000 0.019 0.000 0.802 569 A HN 1.854 nan 8.150 nan 0.000 0.467 570 G N -1.881 106.938 108.800 0.033 0.000 2.179 570 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.220 570 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.220 570 G C 0.314 175.257 174.900 0.071 0.000 0.990 570 G CA 0.211 45.344 45.100 0.055 0.000 0.646 570 G HN 0.615 nan 8.290 nan 0.000 0.517 571 T N 1.927 116.526 114.554 0.075 0.000 2.799 571 T HA 0.588 4.938 4.350 -0.000 0.000 0.296 571 T C 0.742 175.501 174.700 0.099 0.000 0.947 571 T CA 0.599 62.743 62.100 0.073 0.000 1.141 571 T CB 1.551 70.460 68.868 0.069 0.000 0.891 571 T HN 1.284 nan 8.240 nan 0.000 0.533 572 A N 3.704 126.563 122.820 0.066 0.000 2.322 572 A HA 0.647 4.967 4.320 -0.000 0.000 0.269 572 A C 0.849 178.472 177.584 0.065 0.000 1.094 572 A CA -0.738 51.335 52.037 0.060 0.000 0.807 572 A CB 0.338 19.324 19.000 -0.023 0.000 1.047 572 A HN 0.881 nan 8.150 nan 0.000 0.487 573 S N 1.708 117.458 115.700 0.083 0.000 2.719 573 S HA 0.425 4.895 4.470 -0.000 0.000 0.285 573 S C 0.264 174.896 174.600 0.054 0.000 1.137 573 S CA -0.589 57.664 58.200 0.088 0.000 1.012 573 S CB 0.311 63.598 63.200 0.144 0.000 1.134 573 S HN 0.923 nan 8.310 nan 0.000 0.544 574 N N -0.228 118.509 118.700 0.063 0.000 2.354 574 N HA 0.184 4.924 4.740 -0.000 0.000 0.246 574 N C -0.678 174.878 175.510 0.076 0.000 1.285 574 N CA -0.469 52.616 53.050 0.058 0.000 0.925 574 N CB 0.012 38.542 38.487 0.072 0.000 1.174 574 N HN 0.442 nan 8.380 nan 0.000 0.478 575 V N 0.624 120.577 119.914 0.066 0.000 2.427 575 V HA 0.160 4.280 4.120 -0.000 0.000 0.286 575 V C -0.936 175.226 176.094 0.113 0.000 1.034 575 V CA -0.701 61.642 62.300 0.072 0.000 0.893 575 V CB 0.346 32.189 31.823 0.033 0.000 0.982 575 V HN 0.632 nan 8.190 nan 0.000 0.452 576 Y N 4.812 125.112 120.300 0.000 0.000 2.417 576 Y HA 0.425 4.975 4.550 0.000 0.000 0.336 576 Y C 0.366 176.280 175.900 0.023 0.000 0.961 576 Y CA -1.089 57.015 58.100 0.007 0.000 1.215 576 Y CB 0.641 39.088 38.460 -0.022 0.000 1.120 576 Y HN 0.903 nan 8.280 nan 0.000 0.499 577 D N 1.521 121.879 120.400 -0.069 0.000 2.511 577 D HA 0.184 4.824 4.640 -0.000 0.000 0.276 577 D C 0.107 176.442 176.300 0.057 0.000 1.220 577 D CA -0.516 53.498 54.000 0.023 0.000 1.077 577 D CB 0.319 41.114 40.800 -0.008 0.000 1.126 577 D HN 0.416 nan 8.370 nan 0.000 0.583 578 N N -2.973 115.778 118.700 0.086 0.000 2.782 578 N HA -0.220 4.520 4.740 -0.000 0.000 0.251 578 N C -1.232 174.368 175.510 0.150 0.000 1.101 578 N CA 0.139 53.239 53.050 0.082 0.000 0.764 578 N CB -1.742 36.754 38.487 0.014 0.000 1.122 578 N HN 0.450 nan 8.380 nan 0.000 0.561 579 F N 1.637 121.667 119.950 0.134 0.000 2.456 579 F HA 0.326 4.853 4.527 -0.000 0.000 0.358 579 F C 0.760 176.686 175.800 0.210 0.000 1.095 579 F CA -0.216 57.887 58.000 0.172 0.000 1.216 579 F CB 0.673 39.786 39.000 0.189 0.000 1.125 579 F HN 0.129 nan 8.300 nan 0.000 0.549 580 E N 5.703 125.556 120.200 -0.579 0.000 2.113 580 E HA 0.379 4.729 4.350 -0.000 0.000 0.273 580 E C -1.561 174.903 176.600 -0.228 0.000 0.924 580 E CA -0.746 55.518 56.400 -0.227 0.000 0.764 580 E CB 1.298 30.887 29.700 -0.184 0.000 1.104 580 E HN 0.500 nan 8.360 nan 0.000 0.406 581 V N 6.459 126.505 119.914 0.220 0.000 2.406 581 V HA 0.201 4.321 4.120 -0.000 0.000 0.272 581 V C 0.505 176.669 176.094 0.118 0.000 1.043 581 V CA -0.427 62.015 62.300 0.237 0.000 0.915 581 V CB 0.804 32.779 31.823 0.254 0.000 0.988 581 V HN 0.694 nan 8.190 nan 0.000 0.466 582 L N 3.542 124.795 121.223 0.051 0.000 2.466 582 L HA 0.258 4.598 4.340 -0.000 0.000 0.257 582 L C 1.438 178.330 176.870 0.038 0.000 1.189 582 L CA -0.054 54.802 54.840 0.028 0.000 0.813 582 L CB 0.848 42.907 42.059 0.000 0.000 1.118 582 L HN 0.631 nan 8.230 nan 0.000 0.471 583 S N 0.100 115.817 115.700 0.029 0.000 2.603 583 S HA 0.280 4.750 4.470 -0.000 0.000 0.220 583 S C 0.492 175.100 174.600 0.013 0.000 0.967 583 S CA 0.463 58.679 58.200 0.026 0.000 0.920 583 S CB 0.035 63.248 63.200 0.022 0.000 0.773 583 S HN 0.944 nan 8.310 nan 0.000 0.529 584 G N 0.760 109.566 108.800 0.010 0.000 2.350 584 G HA2 0.095 4.055 3.960 -0.000 0.000 0.282 584 G HA3 0.095 4.055 3.960 -0.000 0.000 0.282 584 G C -2.223 172.678 174.900 0.003 0.000 1.314 584 G CA -1.032 44.070 45.100 0.004 0.000 0.915 584 G HN 0.075 nan 8.290 nan 0.000 0.499 585 D N 0.985 121.386 120.400 0.002 0.000 2.419 585 D HA 0.346 4.986 4.640 -0.000 0.000 0.236 585 D C 0.235 176.537 176.300 0.003 0.000 1.165 585 D CA 0.550 54.550 54.000 -0.001 0.000 0.882 585 D CB 0.694 41.494 40.800 0.001 0.000 1.201 585 D HN 0.323 nan 8.370 nan 0.000 0.443 586 Q N 0.195 119.993 119.800 -0.003 0.000 2.301 586 Q HA 0.594 4.934 4.340 -0.000 0.000 0.267 586 Q C -0.318 175.697 176.000 0.025 0.000 1.035 586 Q CA -1.015 54.794 55.803 0.010 0.000 0.856 586 Q CB 2.333 31.066 28.738 -0.008 0.000 1.337 586 Q HN 0.340 nan 8.270 nan 0.000 0.450 587 V N -2.262 117.689 119.914 0.062 0.000 2.876 587 V HA 0.672 4.792 4.120 -0.000 0.000 0.312 587 V C -0.351 175.827 176.094 0.139 0.000 1.085 587 V CA -0.929 61.430 62.300 0.098 0.000 0.945 587 V CB 2.004 33.891 31.823 0.107 0.000 1.017 587 V HN 0.682 nan 8.190 nan 0.000 0.428 588 S N 2.054 117.868 115.700 0.189 0.000 2.430 588 S HA 0.700 5.170 4.470 -0.000 0.000 0.289 588 S C -0.550 174.189 174.600 0.232 0.000 1.143 588 S CA -0.331 58.020 58.200 0.251 0.000 1.067 588 S CB 0.493 63.946 63.200 0.422 0.000 0.964 588 S HN 0.852 nan 8.310 nan 0.000 0.485 589 V N 6.359 126.403 119.914 0.216 0.000 2.495 589 V HA 0.519 4.639 4.120 -0.000 0.000 0.298 589 V C 0.200 176.353 176.094 0.099 0.000 1.031 589 V CA -0.986 61.373 62.300 0.099 0.000 0.871 589 V CB 1.734 33.568 31.823 0.018 0.000 0.988 589 V HN 0.843 nan 8.190 nan 0.000 0.432 590 R N 3.561 124.063 120.500 0.003 0.000 2.221 590 R HA 0.484 4.824 4.340 -0.000 0.000 0.327 590 R C -1.535 174.702 176.300 -0.104 0.000 1.033 590 R CA -0.303 55.847 56.100 0.083 0.000 0.887 590 R CB 0.484 30.862 30.300 0.130 0.000 1.057 590 R HN 0.500 nan 8.270 nan 0.000 0.455 591 F N 3.950 123.904 119.950 0.007 0.000 2.420 591 F HA 0.376 4.903 4.527 -0.000 0.000 0.342 591 F C -0.194 175.621 175.800 0.024 0.000 1.113 591 F CA -0.559 57.431 58.000 -0.018 0.000 1.059 591 F CB 1.969 40.998 39.000 0.048 0.000 1.128 591 F HN 0.117 nan 8.300 nan 0.000 0.475 592 V N 4.419 124.364 119.914 0.051 0.000 2.531 592 V HA 0.523 4.643 4.120 -0.000 0.000 0.301 592 V C -0.979 174.987 176.094 -0.214 0.000 1.034 592 V CA -0.905 61.293 62.300 -0.170 0.000 0.865 592 V CB 1.950 33.491 31.823 -0.469 0.000 0.995 592 V HN 0.515 nan 8.190 nan 0.000 0.424 593 V N 5.625 125.341 119.914 -0.331 0.000 2.487 593 V HA 0.596 4.716 4.120 -0.000 0.000 0.298 593 V C -0.564 175.437 176.094 -0.155 0.000 1.028 593 V CA -0.456 61.576 62.300 -0.446 0.000 0.860 593 V CB 1.883 33.018 31.823 -1.146 0.000 0.991 593 V HN 0.937 nan 8.190 nan 0.000 0.427 594 N N 5.489 124.150 118.700 -0.066 0.000 2.487 594 N HA 0.397 5.137 4.740 -0.000 0.000 0.292 594 N C -0.303 175.233 175.510 0.044 0.000 1.108 594 N CA -0.275 52.777 53.050 0.003 0.000 0.956 594 N CB 0.926 39.422 38.487 0.016 0.000 1.176 594 N HN 0.789 nan 8.380 nan 0.000 0.484 595 N N -0.721 117.978 118.700 -0.001 0.000 2.727 595 N HA -0.181 4.559 4.740 -0.000 0.000 0.251 595 N C -1.018 174.441 175.510 -0.086 0.000 1.040 595 N CA 0.429 53.456 53.050 -0.038 0.000 0.712 595 N CB -1.358 37.142 38.487 0.022 0.000 0.912 595 N HN 0.660 nan 8.380 nan 0.000 0.545 596 A N 0.535 123.267 122.820 -0.147 0.000 2.654 596 A HA 0.469 4.789 4.320 -0.000 0.000 0.345 596 A C 0.886 178.305 177.584 -0.275 0.000 1.368 596 A CA -0.218 51.566 52.037 -0.422 0.000 0.895 596 A CB 0.212 18.918 19.000 -0.490 0.000 1.143 596 A HN 0.350 nan 8.150 nan 0.000 0.490 597 T N 0.434 114.816 114.554 -0.287 0.000 2.919 597 T HA 0.574 4.924 4.350 -0.000 0.000 0.302 597 T C 0.361 175.088 174.700 0.045 0.000 1.031 597 T CA 0.375 62.468 62.100 -0.012 0.000 1.127 597 T CB 0.868 69.743 68.868 0.012 0.000 0.952 597 T HN 1.008 nan 8.240 nan 0.000 0.540 598 T N -1.105 113.640 114.554 0.319 0.000 2.841 598 T HA 0.772 5.122 4.350 -0.000 0.000 0.296 598 T C -0.502 174.280 174.700 0.137 0.000 1.166 598 T CA -0.880 61.324 62.100 0.174 0.000 1.007 598 T CB 1.397 70.420 68.868 0.259 0.000 1.253 598 T HN 1.095 nan 8.240 nan 0.000 0.511 599 A N 1.103 123.967 122.820 0.073 0.000 2.306 599 A HA 0.711 5.031 4.320 -0.000 0.000 0.330 599 A C -0.172 177.433 177.584 0.035 0.000 1.146 599 A CA -0.820 51.241 52.037 0.041 0.000 0.827 599 A CB 0.324 19.343 19.000 0.031 0.000 1.178 599 A HN 0.818 nan 8.150 nan 0.000 0.490 600 L N 1.617 122.843 121.223 0.006 0.000 2.667 600 L HA 0.297 4.637 4.340 -0.000 0.000 0.278 600 L C 1.520 178.408 176.870 0.030 0.000 1.217 600 L CA 2.273 57.114 54.840 0.002 0.000 0.935 600 L CB -0.321 41.731 42.059 -0.012 0.000 1.193 600 L HN 1.498 nan 8.230 nan 0.000 0.493 601 G N 2.631 111.461 108.800 0.050 0.000 2.234 601 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.235 601 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.235 601 G C 0.382 175.333 174.900 0.086 0.000 0.997 601 G CA 0.279 45.418 45.100 0.064 0.000 0.623 601 G HN 0.654 nan 8.290 nan 0.000 0.514 602 Q N 0.842 120.695 119.800 0.088 0.000 2.243 602 Q HA 0.578 4.918 4.340 -0.000 0.000 0.252 602 Q C -0.590 175.480 176.000 0.118 0.000 0.909 602 Q CA -0.596 55.257 55.803 0.083 0.000 0.922 602 Q CB 0.478 29.244 28.738 0.047 0.000 1.215 602 Q HN 0.410 nan 8.270 nan 0.000 0.427 603 N N 1.811 120.562 118.700 0.084 0.000 2.321 603 N HA 0.360 5.100 4.740 -0.000 0.000 0.290 603 N C -1.364 173.952 175.510 -0.323 0.000 1.212 603 N CA -0.475 52.535 53.050 -0.066 0.000 0.767 603 N CB 2.179 40.689 38.487 0.037 0.000 1.494 603 N HN 0.305 nan 8.380 nan 0.000 0.479 604 V N 2.047 121.352 119.914 -1.014 0.000 2.546 604 V HA 0.363 4.483 4.120 -0.000 0.000 0.284 604 V C -0.843 174.960 176.094 -0.484 0.000 1.050 604 V CA 0.013 61.846 62.300 -0.779 0.000 0.981 604 V CB -0.032 30.974 31.823 -1.362 0.000 0.990 604 V HN 0.517 nan 8.190 nan 0.000 0.474 605 Y N 3.429 123.615 120.300 -0.190 0.000 2.605 605 Y HA 0.713 5.263 4.550 -0.000 0.000 0.343 605 Y C -0.318 175.544 175.900 -0.064 0.000 1.036 605 Y CA -1.130 56.875 58.100 -0.158 0.000 1.065 605 Y CB 1.897 40.241 38.460 -0.192 0.000 1.288 605 Y HN 0.532 nan 8.280 nan 0.000 0.481 606 L N 1.079 122.289 121.223 -0.022 0.000 2.329 606 L HA 0.844 5.184 4.340 -0.000 0.000 0.279 606 L C -0.473 176.231 176.870 -0.276 0.000 1.014 606 L CA 0.055 54.721 54.840 -0.289 0.000 0.814 606 L CB 1.876 43.659 42.059 -0.460 0.000 1.257 606 L HN 0.682 nan 8.230 nan 0.000 0.424 607 T N 2.757 117.130 114.554 -0.302 0.000 2.896 607 T HA 0.936 5.286 4.350 -0.000 0.000 0.297 607 T C -0.604 173.860 174.700 -0.394 0.000 1.108 607 T CA 0.047 62.003 62.100 -0.239 0.000 1.004 607 T CB 1.429 70.244 68.868 -0.088 0.000 1.159 607 T HN 1.118 nan 8.240 nan 0.000 0.499 608 G N 0.400 108.761 108.800 -0.733 0.000 2.488 608 G HA2 0.414 4.374 3.960 -0.000 0.000 0.301 608 G HA3 0.414 4.374 3.960 -0.000 0.000 0.301 608 G C 0.437 174.444 174.900 -1.489 0.000 1.339 608 G CA 0.151 44.511 45.100 -1.234 0.000 0.803 608 G HN 1.080 nan 8.290 nan 0.000 0.482 609 S N -1.501 113.594 115.700 -1.009 0.000 2.727 609 S HA 0.286 4.756 4.470 -0.000 0.000 0.226 609 S C 0.776 175.264 174.600 -0.186 0.000 0.963 609 S CA 0.775 58.718 58.200 -0.428 0.000 0.950 609 S CB -1.004 62.252 63.200 0.093 0.000 0.779 609 S HN 1.829 nan 8.310 nan 0.000 0.532 610 V N -1.850 117.935 119.914 -0.214 0.000 2.962 610 V HA 0.666 4.786 4.120 -0.000 0.000 0.313 610 V C 1.142 177.179 176.094 -0.096 0.000 1.099 610 V CA -0.418 61.826 62.300 -0.093 0.000 0.971 610 V CB 1.138 32.935 31.823 -0.044 0.000 1.028 610 V HN 0.209 nan 8.190 nan 0.000 0.430 611 S N 0.537 116.215 115.700 -0.037 0.000 2.400 611 S HA -0.214 4.256 4.470 -0.000 0.000 0.232 611 S C 1.279 175.857 174.600 -0.036 0.000 1.025 611 S CA 1.777 59.963 58.200 -0.025 0.000 0.993 611 S CB -0.633 62.578 63.200 0.019 0.000 0.808 611 S HN 0.916 nan 8.310 nan 0.000 0.478 612 E N 1.201 121.382 120.200 -0.031 0.000 2.333 612 E HA 0.103 4.453 4.350 -0.000 0.000 0.198 612 E C 1.394 177.957 176.600 -0.061 0.000 1.007 612 E CA 0.757 57.142 56.400 -0.025 0.000 0.845 612 E CB -0.280 29.422 29.700 0.004 0.000 0.766 612 E HN 0.586 nan 8.360 nan 0.000 0.507 613 L N -1.454 119.699 121.223 -0.116 0.000 2.857 613 L HA 0.320 4.660 4.340 -0.000 0.000 0.249 613 L C 0.985 177.749 176.870 -0.177 0.000 1.172 613 L CA 0.223 54.950 54.840 -0.188 0.000 0.980 613 L CB 0.349 42.236 42.059 -0.286 0.000 1.299 613 L HN 0.299 nan 8.230 nan 0.000 0.535 614 G N 0.300 109.030 108.800 -0.116 0.000 2.159 614 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.256 614 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.256 614 G C 0.424 175.285 174.900 -0.066 0.000 0.977 614 G CA 0.100 45.154 45.100 -0.076 0.000 0.652 614 G HN 0.419 nan 8.290 nan 0.000 0.531 615 N N -1.146 117.469 118.700 -0.141 0.000 2.714 615 N HA -0.234 4.506 4.740 -0.000 0.000 0.252 615 N C 0.944 176.495 175.510 0.069 0.000 1.014 615 N CA 1.917 54.899 53.050 -0.113 0.000 0.735 615 N CB -1.654 36.840 38.487 0.010 0.000 0.924 615 N HN 1.283 nan 8.380 nan 0.000 0.540 616 W N -3.108 118.258 121.300 0.110 0.000 2.589 616 W HA -0.267 4.393 4.660 -0.000 0.000 0.272 616 W C 0.352 177.005 176.519 0.224 0.000 1.060 616 W CA 0.408 57.878 57.345 0.209 0.000 0.533 616 W CB -1.377 28.192 29.460 0.182 0.000 2.084 616 W HN 0.274 nan 8.180 nan 0.000 1.371 617 D N 0.626 121.185 120.400 0.265 0.000 2.365 617 D HA 0.180 4.820 4.640 -0.000 0.000 0.237 617 D C -0.817 175.532 176.300 0.081 0.000 1.190 617 D CA -2.084 52.022 54.000 0.177 0.000 0.867 617 D CB 1.181 42.037 40.800 0.095 0.000 1.050 617 D HN -0.186 nan 8.370 nan 0.000 0.491 618 P HA -0.127 nan 4.420 nan 0.000 0.217 618 P C 0.962 178.182 177.300 -0.133 0.000 1.148 618 P CA 1.012 64.049 63.100 -0.104 0.000 0.828 618 P CB 0.140 31.759 31.700 -0.136 0.000 0.783 619 A N -0.249 122.533 122.820 -0.063 0.000 2.067 619 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 619 A C 1.790 179.335 177.584 -0.064 0.000 1.158 619 A CA 1.324 53.319 52.037 -0.071 0.000 0.661 619 A CB -0.786 18.195 19.000 -0.031 0.000 0.801 619 A HN 0.219 nan 8.150 nan 0.000 0.452 620 K N -0.333 120.038 120.400 -0.048 0.000 2.455 620 K HA 0.426 4.746 4.320 -0.000 0.000 0.206 620 K C 0.333 176.907 176.600 -0.044 0.000 1.027 620 K CA 0.130 56.397 56.287 -0.034 0.000 1.113 620 K CB 0.601 33.088 32.500 -0.021 0.000 0.850 620 K HN 0.384 nan 8.250 nan 0.000 0.503 621 A N 1.427 124.201 122.820 -0.077 0.000 2.406 621 A HA 0.218 4.538 4.320 -0.000 0.000 0.243 621 A C 0.213 177.822 177.584 0.041 0.000 1.082 621 A CA -0.180 51.819 52.037 -0.062 0.000 0.786 621 A CB 0.184 19.108 19.000 -0.127 0.000 1.029 621 A HN 0.149 nan 8.150 nan 0.000 0.495 622 I N 1.499 122.072 120.570 0.004 0.000 2.371 622 I HA 0.564 4.734 4.170 -0.000 0.000 0.290 622 I C 0.944 176.973 176.117 -0.146 0.000 1.028 622 I CA 1.132 62.420 61.300 -0.020 0.000 1.345 622 I CB -0.332 37.627 38.000 -0.068 0.000 1.407 622 I HN 0.992 nan 8.210 nan 0.000 0.501 623 G N 8.319 116.933 108.800 -0.310 0.000 2.339 623 G HA2 0.136 4.096 3.960 -0.000 0.000 0.275 623 G HA3 0.136 4.096 3.960 -0.000 0.000 0.275 623 G C -3.221 171.385 174.900 -0.489 0.000 1.323 623 G CA -0.778 43.804 45.100 -0.862 0.000 0.927 623 G HN 0.384 nan 8.290 nan 0.000 0.486 624 P HA 0.400 nan 4.420 nan 0.000 0.271 624 P C 0.242 177.010 177.300 -0.887 0.000 1.218 624 P CA -0.049 62.381 63.100 -1.116 0.000 0.780 624 P CB 0.420 31.805 31.700 -0.525 0.000 0.901 625 M N 1.476 120.642 119.600 -0.723 0.000 2.157 625 M HA 0.192 4.672 4.480 -0.000 0.000 0.304 625 M C 0.121 176.420 176.300 -0.003 0.000 1.171 625 M CA 0.209 55.226 55.300 -0.471 0.000 1.157 625 M CB -0.045 32.487 32.600 -0.113 0.000 1.403 625 M HN 0.253 nan 8.290 nan 0.000 0.473 626 Y N 1.092 121.361 120.300 -0.053 0.000 2.403 626 Y HA 0.295 4.845 4.550 -0.000 0.000 0.323 626 Y C 0.551 176.289 175.900 -0.269 0.000 1.226 626 Y CA -1.435 56.497 58.100 -0.280 0.000 1.235 626 Y CB 0.521 38.573 38.460 -0.679 0.000 1.248 626 Y HN 0.719 nan 8.280 nan 0.000 0.489 627 N N -1.619 117.049 118.700 -0.054 0.000 2.330 627 N HA 0.092 4.832 4.740 -0.000 0.000 0.249 627 N C -0.455 175.025 175.510 -0.049 0.000 1.413 627 N CA -0.131 52.821 53.050 -0.163 0.000 0.817 627 N CB -0.162 37.763 38.487 -0.937 0.000 1.362 627 N HN 0.649 nan 8.380 nan 0.000 0.499 628 Q N -0.446 119.393 119.800 0.065 0.000 2.622 628 Q HA 0.318 4.658 4.340 -0.000 0.000 0.208 628 Q C 1.202 177.208 176.000 0.009 0.000 0.911 628 Q CA 0.533 56.336 55.803 0.000 0.000 0.893 628 Q CB 0.512 29.218 28.738 -0.053 0.000 1.124 628 Q HN 0.079 nan 8.270 nan 0.000 0.634 629 V N 0.719 120.658 119.914 0.040 0.000 2.261 629 V HA -0.157 3.963 4.120 -0.000 0.000 0.235 629 V C 2.185 178.142 176.094 -0.227 0.000 1.044 629 V CA 1.463 63.725 62.300 -0.064 0.000 1.007 629 V CB -0.662 31.137 31.823 -0.039 0.000 0.647 629 V HN 0.140 nan 8.190 nan 0.000 0.462 630 V N -1.660 117.967 119.914 -0.477 0.000 2.343 630 V HA -0.129 3.991 4.120 -0.000 0.000 0.247 630 V C 0.773 176.329 176.094 -0.896 0.000 1.051 630 V CA 1.543 63.346 62.300 -0.829 0.000 1.036 630 V CB -0.732 30.392 31.823 -1.164 0.000 0.654 630 V HN 0.499 nan 8.190 nan 0.000 0.451 631 Y N -1.456 118.471 120.300 -0.622 0.000 2.576 631 Y HA 0.701 5.251 4.550 -0.000 0.000 0.346 631 Y C -0.195 175.654 175.900 -0.084 0.000 1.018 631 Y CA -1.334 56.606 58.100 -0.265 0.000 1.050 631 Y CB 1.590 39.946 38.460 -0.173 0.000 1.280 631 Y HN -0.006 nan 8.280 nan 0.000 0.474 632 Q N 0.486 120.330 119.800 0.075 0.000 2.342 632 Q HA 0.320 4.660 4.340 -0.000 0.000 0.267 632 Q C -1.423 174.567 176.000 -0.017 0.000 1.038 632 Q CA -0.978 54.836 55.803 0.018 0.000 0.832 632 Q CB 1.720 30.452 28.738 -0.010 0.000 1.323 632 Q HN 0.578 nan 8.270 nan 0.000 0.448 633 Y N 4.042 124.215 120.300 -0.211 0.000 2.903 633 Y HA 0.001 4.550 4.550 -0.000 0.000 0.338 633 Y C -1.313 174.528 175.900 -0.098 0.000 1.265 633 Y CA -0.698 57.237 58.100 -0.276 0.000 1.532 633 Y CB 0.695 38.957 38.460 -0.330 0.000 1.293 633 Y HN 0.570 nan 8.280 nan 0.000 0.609 634 P HA 0.058 nan 4.420 nan 0.000 0.255 634 P C -1.105 175.987 177.300 -0.346 0.000 1.427 634 P CA 0.335 62.699 63.100 -1.226 0.000 0.863 634 P CB -0.033 31.134 31.700 -0.888 0.000 1.444 635 N N 0.462 119.049 118.700 -0.188 0.000 2.456 635 N HA 0.269 5.009 4.740 -0.000 0.000 0.288 635 N C -0.712 174.831 175.510 0.056 0.000 1.059 635 N CA -0.041 53.026 53.050 0.029 0.000 0.946 635 N CB 0.672 39.196 38.487 0.062 0.000 1.150 635 N HN 0.007 nan 8.380 nan 0.000 0.479 636 W N 1.517 122.788 121.300 -0.047 0.000 2.864 636 W HA 0.487 5.147 4.660 -0.000 0.000 0.343 636 W C -0.386 176.162 176.519 0.049 0.000 1.109 636 W CA -0.700 56.665 57.345 0.034 0.000 1.192 636 W CB 0.540 29.962 29.460 -0.064 0.000 1.426 636 W HN 0.427 nan 8.180 nan 0.000 0.529 637 Y N -0.375 120.042 120.300 0.195 0.000 2.625 637 Y HA 0.810 5.360 4.550 -0.000 0.000 0.338 637 Y C -2.045 174.030 175.900 0.293 0.000 1.123 637 Y CA -2.602 55.567 58.100 0.115 0.000 1.046 637 Y CB 1.598 40.042 38.460 -0.026 0.000 1.299 637 Y HN 0.473 nan 8.280 nan 0.000 0.464 638 Y N 0.665 121.024 120.300 0.099 0.000 2.521 638 Y HA 0.352 4.902 4.550 -0.000 0.000 0.326 638 Y C -1.934 174.088 175.900 0.203 0.000 1.176 638 Y CA -1.462 56.627 58.100 -0.017 0.000 1.079 638 Y CB 1.733 40.108 38.460 -0.140 0.000 1.341 638 Y HN 0.798 nan 8.280 nan 0.000 0.456 639 D N 3.975 124.315 120.400 -0.101 0.000 2.274 639 D HA 0.563 5.203 4.640 -0.000 0.000 0.239 639 D C -0.880 175.472 176.300 0.087 0.000 1.104 639 D CA 0.073 54.135 54.000 0.103 0.000 0.840 639 D CB 1.903 42.816 40.800 0.188 0.000 1.100 639 D HN 0.211 nan 8.370 nan 0.000 0.477 640 V N 1.049 121.117 119.914 0.256 0.000 2.735 640 V HA 0.323 4.443 4.120 -0.000 0.000 0.310 640 V C 0.241 176.472 176.094 0.229 0.000 1.061 640 V CA -0.947 61.496 62.300 0.237 0.000 0.913 640 V CB 2.183 34.142 31.823 0.227 0.000 1.005 640 V HN 0.474 nan 8.190 nan 0.000 0.428 641 S N 3.082 118.877 115.700 0.157 0.000 2.448 641 S HA 0.583 5.053 4.470 -0.000 0.000 0.279 641 S C -0.441 174.230 174.600 0.118 0.000 1.195 641 S CA -0.412 57.858 58.200 0.116 0.000 1.051 641 S CB 0.191 63.423 63.200 0.054 0.000 0.948 641 S HN 0.977 nan 8.310 nan 0.000 0.493 642 V N 3.244 123.245 119.914 0.146 0.000 3.001 642 V HA 0.807 4.927 4.120 -0.000 0.000 0.314 642 V C -2.883 173.264 176.094 0.089 0.000 1.099 642 V CA -3.011 59.375 62.300 0.142 0.000 0.989 642 V CB 1.578 33.562 31.823 0.268 0.000 1.040 642 V HN 0.596 nan 8.190 nan 0.000 0.434 643 P HA 0.281 nan 4.420 nan 0.000 0.271 643 P C 0.028 177.337 177.300 0.014 0.000 1.233 643 P CA 0.425 63.540 63.100 0.024 0.000 0.764 643 P CB 0.542 32.247 31.700 0.008 0.000 0.825 644 A N 3.839 126.670 122.820 0.018 0.000 2.565 644 A HA 0.376 4.696 4.320 -0.000 0.000 0.237 644 A C 1.657 179.236 177.584 -0.009 0.000 1.053 644 A CA 0.716 52.761 52.037 0.014 0.000 0.755 644 A CB -1.297 17.715 19.000 0.019 0.000 0.980 644 A HN 0.865 nan 8.150 nan 0.000 0.506 645 G N 1.515 110.303 108.800 -0.019 0.000 2.186 645 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.266 645 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.266 645 G C 0.353 175.214 174.900 -0.066 0.000 0.982 645 G CA 0.983 46.062 45.100 -0.035 0.000 0.670 645 G HN 0.807 nan 8.290 nan 0.000 0.533 646 K N 0.601 120.945 120.400 -0.093 0.000 2.144 646 K HA 0.416 4.736 4.320 -0.000 0.000 0.270 646 K C 0.062 176.544 176.600 -0.197 0.000 1.005 646 K CA -0.224 56.000 56.287 -0.106 0.000 0.932 646 K CB 0.966 33.423 32.500 -0.073 0.000 1.021 646 K HN 0.091 nan 8.250 nan 0.000 0.462 647 T N 3.601 118.076 114.554 -0.131 0.000 2.729 647 T HA 0.371 4.721 4.350 -0.000 0.000 0.296 647 T C 0.278 174.922 174.700 -0.093 0.000 0.928 647 T CA -0.238 61.779 62.100 -0.138 0.000 1.045 647 T CB 0.038 68.881 68.868 -0.042 0.000 0.902 647 T HN 0.309 nan 8.240 nan 0.000 0.500 648 I N 2.861 123.349 120.570 -0.137 0.000 2.509 648 I HA 0.367 4.537 4.170 -0.000 0.000 0.293 648 I C 0.268 176.600 176.117 0.357 0.000 1.020 648 I CA -0.854 60.486 61.300 0.067 0.000 1.088 648 I CB 2.283 40.307 38.000 0.041 0.000 1.267 648 I HN 0.477 nan 8.210 nan 0.000 0.430 649 E N 5.523 125.931 120.200 0.346 0.000 2.204 649 E HA 0.633 4.983 4.350 -0.000 0.000 0.276 649 E C -1.397 175.489 176.600 0.475 0.000 0.974 649 E CA -0.521 56.152 56.400 0.455 0.000 0.815 649 E CB 2.105 32.077 29.700 0.453 0.000 1.119 649 E HN 0.409 nan 8.360 nan 0.000 0.393 650 F N -0.409 119.744 119.950 0.338 0.000 2.711 650 F HA 0.673 5.200 4.527 -0.000 0.000 0.313 650 F C -1.211 174.784 175.800 0.325 0.000 1.141 650 F CA -1.095 56.987 58.000 0.137 0.000 0.941 650 F CB 1.387 40.360 39.000 -0.045 0.000 1.349 650 F HN 0.145 nan 8.300 nan 0.000 0.464 651 K N 0.588 121.142 120.400 0.256 0.000 2.533 651 K HA 0.612 4.932 4.320 -0.000 0.000 0.272 651 K C -2.054 174.458 176.600 -0.146 0.000 0.985 651 K CA -0.766 55.631 56.287 0.184 0.000 0.876 651 K CB 2.762 35.524 32.500 0.436 0.000 1.452 651 K HN 0.569 nan 8.250 nan 0.000 0.439 652 F N 1.362 121.419 119.950 0.179 0.000 2.440 652 F HA 0.566 5.093 4.527 -0.000 0.000 0.328 652 F C 0.036 175.915 175.800 0.133 0.000 1.070 652 F CA -0.740 57.361 58.000 0.169 0.000 1.011 652 F CB 0.986 40.167 39.000 0.301 0.000 1.226 652 F HN 0.058 nan 8.300 nan 0.000 0.491 653 L N 1.061 122.467 121.223 0.304 0.000 2.350 653 L HA 0.584 4.924 4.340 -0.000 0.000 0.260 653 L C -1.062 175.911 176.870 0.171 0.000 1.015 653 L CA -1.116 53.797 54.840 0.122 0.000 0.821 653 L CB 2.390 44.281 42.059 -0.280 0.000 1.370 653 L HN 0.457 nan 8.230 nan 0.000 0.416 654 K N 1.997 122.452 120.400 0.091 0.000 2.394 654 K HA 0.515 4.835 4.320 -0.000 0.000 0.260 654 K C -1.265 175.315 176.600 -0.033 0.000 0.967 654 K CA -0.681 55.583 56.287 -0.039 0.000 0.855 654 K CB 1.805 34.226 32.500 -0.131 0.000 1.101 654 K HN 0.396 nan 8.250 nan 0.000 0.433 655 K N 2.390 122.789 120.400 -0.003 0.000 2.316 655 K HA 0.276 4.596 4.320 -0.000 0.000 0.251 655 K C -1.009 175.599 176.600 0.013 0.000 0.934 655 K CA -0.875 55.368 56.287 -0.074 0.000 0.802 655 K CB 2.468 34.757 32.500 -0.351 0.000 1.171 655 K HN 0.408 nan 8.250 nan 0.000 0.426 656 Q N 1.252 121.044 119.800 -0.013 0.000 2.337 656 Q HA 0.362 4.702 4.340 -0.000 0.000 0.264 656 Q C 0.095 176.092 176.000 -0.006 0.000 1.007 656 Q CA 0.089 55.902 55.803 0.016 0.000 0.727 656 Q CB 1.395 30.145 28.738 0.019 0.000 1.256 656 Q HN 0.869 nan 8.270 nan 0.000 0.467 657 G N 2.044 110.845 108.800 0.001 0.000 2.583 657 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.292 657 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.292 657 G C 0.528 175.394 174.900 -0.057 0.000 1.203 657 G CA 0.393 45.485 45.100 -0.013 0.000 0.987 657 G HN 1.129 nan 8.290 nan 0.000 0.554 658 S N -0.839 114.832 115.700 -0.048 0.000 2.577 658 S HA 0.413 4.883 4.470 -0.000 0.000 0.219 658 S C 0.803 175.368 174.600 -0.058 0.000 0.962 658 S CA 1.173 59.333 58.200 -0.067 0.000 0.921 658 S CB 0.293 63.467 63.200 -0.043 0.000 0.789 658 S HN 0.930 nan 8.310 nan 0.000 0.497 659 T N 2.747 117.276 114.554 -0.042 0.000 2.814 659 T HA 0.470 4.820 4.350 -0.000 0.000 0.297 659 T C -0.466 174.208 174.700 -0.044 0.000 0.956 659 T CA -0.177 61.910 62.100 -0.021 0.000 1.123 659 T CB 1.274 70.142 68.868 -0.000 0.000 0.902 659 T HN 0.285 nan 8.240 nan 0.000 0.528 660 V N 4.075 123.973 119.914 -0.027 0.000 2.680 660 V HA 0.702 4.822 4.120 -0.000 0.000 0.309 660 V C -0.532 175.572 176.094 0.016 0.000 1.052 660 V CA -0.384 61.873 62.300 -0.071 0.000 0.908 660 V CB 2.395 34.106 31.823 -0.187 0.000 1.001 660 V HN 0.889 nan 8.190 nan 0.000 0.431 661 T N 6.679 121.240 114.554 0.012 0.000 2.791 661 T HA 0.456 4.806 4.350 -0.000 0.000 0.288 661 T C -0.996 173.817 174.700 0.189 0.000 0.999 661 T CA 0.040 62.231 62.100 0.152 0.000 0.952 661 T CB 0.644 69.614 68.868 0.170 0.000 0.938 661 T HN 0.711 nan 8.240 nan 0.000 0.444 662 W N 2.068 123.463 121.300 0.158 0.000 2.316 662 W HA 0.374 5.034 4.660 -0.000 0.000 0.321 662 W C 0.952 177.473 176.519 0.003 0.000 1.203 662 W CA -0.740 56.662 57.345 0.096 0.000 1.214 662 W CB 0.467 29.932 29.460 0.010 0.000 1.169 662 W HN 0.596 nan 8.180 nan 0.000 0.561 663 E N 1.071 121.257 120.200 -0.024 0.000 2.415 663 E HA 0.213 4.563 4.350 -0.000 0.000 0.262 663 E C 0.718 177.200 176.600 -0.197 0.000 1.038 663 E CA 0.065 56.100 56.400 -0.609 0.000 0.921 663 E CB 0.621 29.929 29.700 -0.652 0.000 0.950 663 E HN 0.639 nan 8.360 nan 0.000 0.438 664 G N 1.504 110.164 108.800 -0.233 0.000 2.525 664 G HA2 0.521 4.481 3.960 -0.000 0.000 0.287 664 G HA3 0.521 4.481 3.960 -0.000 0.000 0.287 664 G C 0.282 175.080 174.900 -0.170 0.000 1.350 664 G CA -0.011 45.014 45.100 -0.124 0.000 1.039 664 G HN 0.877 nan 8.290 nan 0.000 0.513 665 G N -1.096 107.620 108.800 -0.139 0.000 2.645 665 G HA2 0.116 4.076 3.960 -0.000 0.000 0.246 665 G HA3 0.116 4.076 3.960 -0.000 0.000 0.246 665 G C 0.351 175.139 174.900 -0.187 0.000 1.322 665 G CA 0.326 45.334 45.100 -0.155 0.000 0.898 665 G HN 1.830 nan 8.290 nan 0.000 0.573 666 S N 0.394 115.973 115.700 -0.201 0.000 2.672 666 S HA 0.602 5.072 4.470 -0.000 0.000 0.276 666 S C 0.382 174.823 174.600 -0.265 0.000 1.207 666 S CA -0.677 57.401 58.200 -0.204 0.000 1.002 666 S CB 1.156 64.263 63.200 -0.155 0.000 0.998 666 S HN 0.847 nan 8.310 nan 0.000 0.542 667 N N 1.666 120.249 118.700 -0.194 0.000 2.416 667 N HA 0.081 4.821 4.740 -0.000 0.000 0.246 667 N C -0.035 175.319 175.510 -0.260 0.000 1.260 667 N CA 0.300 53.265 53.050 -0.143 0.000 0.897 667 N CB -0.055 38.473 38.487 0.069 0.000 1.110 667 N HN 0.606 nan 8.380 nan 0.000 0.439 668 H N 0.145 119.024 119.070 -0.318 0.000 2.547 668 H HA 0.359 4.915 4.556 -0.000 0.000 0.362 668 H C -0.000 175.160 175.328 -0.280 0.000 1.181 668 H CA 0.324 56.078 56.048 -0.489 0.000 1.376 668 H CB 0.976 30.028 29.762 -1.183 0.000 1.488 668 H HN 0.366 nan 8.280 nan 0.000 0.583 669 T N 2.315 116.981 114.554 0.187 0.000 2.900 669 T HA 0.466 4.816 4.350 -0.000 0.000 0.303 669 T C -1.009 174.076 174.700 0.642 0.000 1.142 669 T CA -0.754 61.593 62.100 0.412 0.000 1.007 669 T CB 1.529 70.535 68.868 0.231 0.000 1.156 669 T HN 0.533 nan 8.240 nan 0.000 0.490 670 F N -1.126 119.039 119.950 0.358 0.000 2.770 670 F HA 0.716 5.243 4.527 0.000 0.000 0.313 670 F C -1.700 174.198 175.800 0.162 0.000 1.154 670 F CA -0.888 57.261 58.000 0.247 0.000 0.923 670 F CB 0.849 39.994 39.000 0.240 0.000 1.301 670 F HN 0.431 nan 8.300 nan 0.000 0.449 671 T N 2.704 117.123 114.554 -0.225 0.000 2.791 671 T HA 0.756 5.106 4.350 -0.000 0.000 0.288 671 T C -0.073 174.422 174.700 -0.342 0.000 0.999 671 T CA -0.161 61.723 62.100 -0.359 0.000 0.952 671 T CB 1.019 69.825 68.868 -0.103 0.000 0.938 671 T HN 0.948 nan 8.240 nan 0.000 0.444 672 A N 5.942 128.447 122.820 -0.525 0.000 2.498 672 A HA 0.540 4.860 4.320 -0.000 0.000 0.239 672 A C -2.028 175.556 177.584 -0.001 0.000 1.068 672 A CA -1.112 50.851 52.037 -0.123 0.000 0.766 672 A CB -0.316 18.632 19.000 -0.087 0.000 1.003 672 A HN 0.492 nan 8.150 nan 0.000 0.497 673 P HA 0.056 nan 4.420 nan 0.000 0.271 673 P C 0.775 178.100 177.300 0.043 0.000 1.233 673 P CA 0.304 63.441 63.100 0.062 0.000 0.789 673 P CB 0.588 32.337 31.700 0.082 0.000 0.951 674 S N -0.556 115.165 115.700 0.035 0.000 2.470 674 S HA 0.097 4.567 4.470 -0.000 0.000 0.225 674 S C 0.717 175.337 174.600 0.035 0.000 1.006 674 S CA 0.538 58.754 58.200 0.027 0.000 0.934 674 S CB -0.561 62.651 63.200 0.020 0.000 0.778 674 S HN 0.754 nan 8.310 nan 0.000 0.517 675 S N -1.167 114.561 115.700 0.047 0.000 2.587 675 S HA 0.666 5.136 4.470 -0.000 0.000 0.269 675 S C 0.123 174.768 174.600 0.074 0.000 1.154 675 S CA -0.297 57.937 58.200 0.056 0.000 0.824 675 S CB 0.828 64.054 63.200 0.044 0.000 1.118 675 S HN 1.751 nan 8.310 nan 0.000 0.462 676 G N 1.037 109.894 108.800 0.095 0.000 2.698 676 G HA2 0.181 4.141 3.960 -0.000 0.000 0.233 676 G HA3 0.181 4.141 3.960 -0.000 0.000 0.233 676 G C 0.047 175.025 174.900 0.130 0.000 1.352 676 G CA 0.461 45.629 45.100 0.113 0.000 0.879 676 G HN 2.306 nan 8.290 nan 0.000 0.567 677 T N -2.465 112.164 114.554 0.125 0.000 2.889 677 T HA 1.036 5.386 4.350 -0.000 0.000 0.278 677 T C 0.214 174.969 174.700 0.092 0.000 0.995 677 T CA 0.526 62.704 62.100 0.131 0.000 0.966 677 T CB 1.832 70.787 68.868 0.146 0.000 1.237 677 T HN 2.671 nan 8.240 nan 0.000 0.591 678 A N -0.142 122.722 122.820 0.073 0.000 2.586 678 A HA 0.677 4.997 4.320 -0.000 0.000 0.291 678 A C -0.806 176.757 177.584 -0.034 0.000 1.062 678 A CA -0.941 51.115 52.037 0.031 0.000 0.666 678 A CB 1.174 20.205 19.000 0.053 0.000 1.281 678 A HN 0.893 nan 8.150 nan 0.000 0.421 679 T N 2.234 116.750 114.554 -0.064 0.000 2.847 679 T HA 0.527 4.877 4.350 -0.000 0.000 0.291 679 T C -0.688 173.900 174.700 -0.188 0.000 0.998 679 T CA -0.239 61.792 62.100 -0.115 0.000 0.967 679 T CB 0.587 69.445 68.868 -0.017 0.000 0.954 679 T HN 0.453 nan 8.240 nan 0.000 0.441 680 I N 3.991 124.330 120.570 -0.384 0.000 2.328 680 I HA 0.382 4.552 4.170 -0.000 0.000 0.287 680 I C 0.087 176.083 176.117 -0.202 0.000 1.012 680 I CA -0.722 60.343 61.300 -0.392 0.000 1.195 680 I CB 0.845 38.287 38.000 -0.930 0.000 1.350 680 I HN 0.506 nan 8.210 nan 0.000 0.464 681 N N 6.775 125.430 118.700 -0.074 0.000 2.417 681 N HA 0.582 5.322 4.740 -0.000 0.000 0.274 681 N C -0.830 174.691 175.510 0.019 0.000 0.987 681 N CA -0.174 52.851 53.050 -0.042 0.000 0.912 681 N CB 2.202 40.668 38.487 -0.034 0.000 1.177 681 N HN 0.482 nan 8.380 nan 0.000 0.490 682 V N 1.095 121.014 119.914 0.009 0.000 3.167 682 V HA 0.692 4.812 4.120 -0.000 0.000 0.310 682 V C -0.618 175.476 176.094 -0.000 0.000 1.207 682 V CA -1.056 61.255 62.300 0.018 0.000 1.059 682 V CB 2.104 33.875 31.823 -0.088 0.000 1.079 682 V HN 0.481 nan 8.190 nan 0.000 0.446 683 N N 1.571 120.324 118.700 0.088 0.000 2.443 683 N HA 0.252 4.992 4.740 -0.000 0.000 0.295 683 N C -0.842 174.793 175.510 0.209 0.000 1.076 683 N CA -0.295 52.829 53.050 0.124 0.000 0.919 683 N CB 1.975 40.541 38.487 0.133 0.000 1.176 683 N HN 1.014 nan 8.380 nan 0.000 0.487 684 W N 2.755 124.070 121.300 0.026 0.000 2.322 684 W HA 0.028 4.688 4.660 -0.000 0.000 0.328 684 W C -0.775 175.822 176.519 0.129 0.000 1.395 684 W CA 0.113 57.506 57.345 0.080 0.000 1.267 684 W CB 0.297 29.759 29.460 0.003 0.000 1.259 684 W HN 0.426 nan 8.180 nan 0.000 0.560 685 Q N 8.111 127.665 119.800 -0.410 0.000 2.303 685 Q HA 0.263 4.603 4.340 -0.000 0.000 0.257 685 Q C -1.901 173.843 176.000 -0.427 0.000 0.941 685 Q CA -1.806 53.824 55.803 -0.288 0.000 0.931 685 Q CB 1.368 29.975 28.738 -0.219 0.000 1.215 685 Q HN 0.212 nan 8.270 nan 0.000 0.437 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.183 63.100 0.139 0.000 0.800 686 P CB 0.000 31.829 31.700 0.215 0.000 0.726