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 2p5o_1_C DATA FIRST_RESID 2 DATA SEQUENCE KEFYLTVEQI GDSIFERYID SNGRERTREV EYKPSLFAHC PESQATKYFD DATA SEQUENCE IYGKPCTRKL FANXRDASQW IKRXEDIGLE ALGXDDFKLA YLSDTYNYEI DATA SEQUENCE KYDHTKIRVA NFDIEVTSPD GFPEPSQAKH PIDAITHYDS IDDRFYVFDL DATA SEQUENCE LNSPYGNVEE WSIEIAAKLQ EQGGDEVPSE IIDKIIYXPF DNEKELLXEY DATA SEQUENCE LNFWQQKTPV ILTGWNVESF AIPYVYNRIK NIFGESTAKR LSPHRKTRVK DATA SEQUENCE VIENXYGSRE IITLFGISVL DYIDLYKKFS FTNQPSYSLD YISEFELNVG DATA SEQUENCE KLKYDGPISK LRESNHQRYI SYNIIAVYRV LQIDAKRQFI NLSLDXGYYA DATA SEQUENCE KIQIQSVFSP IKTWDAIIFN SLKEQNKVIP QGRSHPVQPY PGAFVKEPIP DATA SEQUENCE NRYKYVXSFD LTSLYPSIIR QVNISPETIA GTFKVAPLHD YINAVAERPS DATA SEQUENCE DVYSCSPNGX XYYKDRDGVV PTEITKVFNQ RKEHKGYXLA AQRNXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX LFRAQRTEVA DATA SEQUENCE GXTAQINRKL LINSLYGALG NVWFRYYDLR NATAITTFGQ XALQWIERKV DATA SEQUENCE NEYLNEVCGT EGEAFVLYGD TDSIYVSADK IIDKVGESKF RDTNHWVDFL DATA SEQUENCE DKFARERXEP AIDRGFREXC EYXNNKQHLX FXDREAIAGP PLGSKGIGGF DATA SEQUENCE WTGKKRYALN VWDXEGTRYA EPKLKIXGLE TQKSSTPKAV QKALKECIRR DATA SEQUENCE XLQEGEESLQ EYFKEFEKEF RQLNYISIAS VSSANNIAKY DVGGFPGPKC DATA SEQUENCE PFHIRGILTY NRAIKGNIDA PQVVEGEKVY VLPLREGNPF GDKCIAWPSG DATA SEQUENCE TEITDLIKDD VLHWXDYTVL LEKTFIKPLE GFTSAAKLDY EKKASLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.732 176.600 0.221 0.000 0.988 2 K CA 0.000 56.339 56.287 0.086 0.000 0.838 2 K CB 0.000 32.561 32.500 0.102 0.000 1.064 3 E N -0.633 119.748 120.200 0.301 0.000 7.473 3 E HA -0.061 4.289 4.350 0.001 0.000 0.374 3 E C -0.476 176.466 176.600 0.570 0.000 0.644 3 E CA 0.727 57.316 56.400 0.315 0.000 1.131 3 E CB -1.290 28.588 29.700 0.297 0.000 0.938 3 E HN 1.270 nan 8.360 nan 0.000 0.266 4 F N 3.243 123.390 119.950 0.329 0.000 2.613 4 F HA 0.673 5.200 4.527 0.001 0.000 0.310 4 F C -0.528 175.326 175.800 0.089 0.000 1.085 4 F CA -1.160 56.883 58.000 0.073 0.000 0.945 4 F CB 0.464 39.282 39.000 -0.303 0.000 1.298 4 F HN 0.283 nan 8.300 nan 0.000 0.455 5 Y N 0.866 121.115 120.300 -0.085 0.000 2.299 5 Y HA 0.649 5.199 4.550 0.001 0.000 0.335 5 Y C -0.076 176.036 175.900 0.353 0.000 1.287 5 Y CA -1.012 57.179 58.100 0.152 0.000 1.424 5 Y CB 0.489 38.957 38.460 0.013 0.000 1.326 5 Y HN 0.711 nan 8.280 nan 0.000 0.567 6 L N 0.558 122.062 121.223 0.469 0.000 2.541 6 L HA 0.234 4.575 4.340 0.001 0.000 0.187 6 L C 0.161 177.259 176.870 0.381 0.000 1.098 6 L CA 0.712 55.765 54.840 0.355 0.000 0.846 6 L CB 0.366 42.575 42.059 0.249 0.000 1.151 6 L HN 0.899 nan 8.230 nan 0.000 0.492 7 T N -1.792 112.987 114.554 0.375 0.000 3.143 7 T HA 0.510 4.860 4.350 0.001 0.000 0.312 7 T C -1.042 173.822 174.700 0.273 0.000 0.986 7 T CA -0.467 61.804 62.100 0.285 0.000 1.024 7 T CB 1.948 70.933 68.868 0.194 0.000 1.030 7 T HN -0.134 nan 8.240 nan 0.000 0.448 8 V N 2.595 122.614 119.914 0.175 0.000 2.612 8 V HA 0.814 4.934 4.120 0.001 0.000 0.301 8 V C -1.020 175.129 176.094 0.091 0.000 1.046 8 V CA -0.253 62.104 62.300 0.096 0.000 0.946 8 V CB 1.517 33.327 31.823 -0.020 0.000 1.003 8 V HN 1.031 nan 8.190 nan 0.000 0.459 9 E N 4.034 124.298 120.200 0.108 0.000 2.372 9 E HA 0.288 4.638 4.350 0.001 0.000 0.279 9 E C -1.697 175.017 176.600 0.190 0.000 0.946 9 E CA -0.594 55.910 56.400 0.175 0.000 0.769 9 E CB 2.348 32.269 29.700 0.368 0.000 1.230 9 E HN 0.744 nan 8.360 nan 0.000 0.442 10 Q N 2.646 122.582 119.800 0.228 0.000 2.348 10 Q HA 0.504 4.844 4.340 0.001 0.000 0.265 10 Q C -1.069 175.122 176.000 0.320 0.000 0.998 10 Q CA -0.394 55.540 55.803 0.219 0.000 0.831 10 Q CB 0.763 29.608 28.738 0.177 0.000 1.251 10 Q HN 0.532 nan 8.270 nan 0.000 0.456 11 I N 4.104 124.856 120.570 0.303 0.000 2.668 11 I HA 0.354 4.524 4.170 0.001 0.000 0.276 11 I C 0.186 176.402 176.117 0.165 0.000 1.139 11 I CA -0.672 60.761 61.300 0.222 0.000 1.133 11 I CB 1.131 39.259 38.000 0.213 0.000 1.327 11 I HN 0.920 nan 8.210 nan 0.000 0.520 12 G N 3.493 112.362 108.800 0.115 0.000 3.106 12 G HA2 -0.245 3.716 3.960 0.001 0.000 0.352 12 G HA3 -0.245 3.716 3.960 0.001 0.000 0.352 12 G C 0.385 175.310 174.900 0.041 0.000 0.563 12 G CA -0.188 44.955 45.100 0.072 0.000 0.945 12 G HN 0.829 nan 8.290 nan 0.000 0.470 13 D N -0.684 119.725 120.400 0.014 0.000 3.009 13 D HA -0.197 4.444 4.640 0.001 0.000 0.223 13 D C 0.752 177.018 176.300 -0.057 0.000 1.192 13 D CA 2.202 56.183 54.000 -0.031 0.000 0.834 13 D CB -0.716 40.062 40.800 -0.036 0.000 1.088 13 D HN 0.748 nan 8.370 nan 0.000 0.403 14 S N -0.653 115.013 115.700 -0.057 0.000 2.571 14 S HA 0.596 5.066 4.470 0.001 0.000 0.284 14 S C -0.161 174.313 174.600 -0.210 0.000 1.128 14 S CA -0.662 57.418 58.200 -0.201 0.000 0.970 14 S CB 2.056 65.070 63.200 -0.310 0.000 1.039 14 S HN 0.087 nan 8.310 nan 0.000 0.485 15 I N 3.828 124.191 120.570 -0.344 0.000 2.330 15 I HA 0.368 4.539 4.170 0.001 0.000 0.289 15 I C -1.298 174.540 176.117 -0.465 0.000 1.001 15 I CA -0.480 60.611 61.300 -0.347 0.000 1.193 15 I CB 0.752 38.405 38.000 -0.579 0.000 1.345 15 I HN 0.509 nan 8.210 nan 0.000 0.461 16 F N 5.588 125.382 119.950 -0.259 0.000 2.410 16 F HA 0.379 4.907 4.527 0.001 0.000 0.349 16 F C 0.542 176.255 175.800 -0.145 0.000 1.117 16 F CA -0.391 57.413 58.000 -0.326 0.000 1.104 16 F CB 0.904 39.390 39.000 -0.857 0.000 1.122 16 F HN 0.391 nan 8.300 nan 0.000 0.483 17 E N 4.144 124.409 120.200 0.108 0.000 2.272 17 E HA 0.483 4.834 4.350 0.001 0.000 0.269 17 E C -1.142 175.685 176.600 0.378 0.000 0.877 17 E CA -0.940 55.590 56.400 0.217 0.000 0.755 17 E CB 1.379 31.159 29.700 0.134 0.000 1.192 17 E HN 0.627 nan 8.360 nan 0.000 0.422 18 R N 3.067 123.821 120.500 0.423 0.000 2.445 18 R HA 0.437 4.777 4.340 0.001 0.000 0.308 18 R C -1.105 175.491 176.300 0.494 0.000 0.961 18 R CA -0.629 55.720 56.100 0.416 0.000 0.862 18 R CB 1.096 31.566 30.300 0.283 0.000 1.144 18 R HN 0.469 nan 8.270 nan 0.000 0.447 19 Y N -0.312 120.069 120.300 0.134 0.000 2.705 19 Y HA 0.530 5.081 4.550 0.001 0.000 0.332 19 Y C -1.458 174.390 175.900 -0.088 0.000 1.221 19 Y CA -1.745 56.390 58.100 0.059 0.000 1.059 19 Y CB 0.880 39.453 38.460 0.188 0.000 1.298 19 Y HN 0.187 nan 8.280 nan 0.000 0.459 20 I N 3.474 123.792 120.570 -0.420 0.000 2.339 20 I HA 0.232 4.403 4.170 0.001 0.000 0.290 20 I C -0.207 175.674 176.117 -0.393 0.000 0.994 20 I CA -0.667 60.294 61.300 -0.564 0.000 1.191 20 I CB 0.533 37.986 38.000 -0.911 0.000 1.343 20 I HN 0.871 nan 8.210 nan 0.000 0.458 21 D N 3.970 124.149 120.400 -0.367 0.000 2.403 21 D HA 0.164 4.805 4.640 0.001 0.000 0.278 21 D C 1.150 177.440 176.300 -0.017 0.000 1.230 21 D CA -0.419 53.511 54.000 -0.117 0.000 1.062 21 D CB 0.174 40.892 40.800 -0.137 0.000 1.119 21 D HN 0.312 nan 8.370 nan 0.000 0.557 22 S N -0.849 114.871 115.700 0.033 0.000 2.399 22 S HA -0.248 4.223 4.470 0.001 0.000 0.235 22 S C 0.243 174.850 174.600 0.011 0.000 1.063 22 S CA 1.982 60.201 58.200 0.031 0.000 1.070 22 S CB -1.145 62.072 63.200 0.027 0.000 0.904 22 S HN 0.730 nan 8.310 nan 0.000 0.456 23 N N -0.313 118.380 118.700 -0.012 0.000 2.623 23 N HA 0.519 5.260 4.740 0.001 0.000 0.256 23 N C 0.190 175.680 175.510 -0.034 0.000 1.045 23 N CA -0.055 52.987 53.050 -0.012 0.000 0.863 23 N CB 0.873 39.355 38.487 -0.009 0.000 1.182 23 N HN 0.071 nan 8.380 nan 0.000 0.523 24 G N 1.037 109.821 108.800 -0.027 0.000 2.465 24 G HA2 -0.390 3.570 3.960 0.001 0.000 0.324 24 G HA3 -0.390 3.570 3.960 0.001 0.000 0.324 24 G C 0.339 175.192 174.900 -0.079 0.000 0.847 24 G CA 0.788 45.863 45.100 -0.041 0.000 0.858 24 G HN 0.686 nan 8.290 nan 0.000 0.505 25 R N -0.038 120.389 120.500 -0.121 0.000 2.540 25 R HA 0.523 4.863 4.340 0.001 0.000 0.287 25 R C 0.100 176.272 176.300 -0.213 0.000 0.980 25 R CA -0.904 55.116 56.100 -0.132 0.000 0.966 25 R CB 0.739 30.971 30.300 -0.113 0.000 1.106 25 R HN 0.295 nan 8.270 nan 0.000 0.480 26 E N 3.130 123.229 120.200 -0.168 0.000 2.081 26 E HA 0.233 4.583 4.350 0.001 0.000 0.281 26 E C -0.795 175.691 176.600 -0.191 0.000 0.986 26 E CA -0.559 55.727 56.400 -0.189 0.000 0.796 26 E CB 0.635 30.275 29.700 -0.100 0.000 1.085 26 E HN 0.332 nan 8.360 nan 0.000 0.398 27 R N 1.802 122.107 120.500 -0.325 0.000 2.923 27 R HA 0.587 4.928 4.340 0.001 0.000 0.252 27 R C -1.237 175.075 176.300 0.020 0.000 1.130 27 R CA -0.445 55.532 56.100 -0.205 0.000 1.043 27 R CB 2.235 32.333 30.300 -0.338 0.000 1.205 27 R HN 0.452 nan 8.270 nan 0.000 0.495 28 T N 1.601 116.259 114.554 0.174 0.000 2.991 28 T HA 0.528 4.878 4.350 0.001 0.000 0.303 28 T C -1.298 173.569 174.700 0.278 0.000 1.015 28 T CA -0.902 61.373 62.100 0.292 0.000 1.007 28 T CB 1.169 70.192 68.868 0.259 0.000 1.034 28 T HN 0.646 nan 8.240 nan 0.000 0.446 29 R N 1.417 122.082 120.500 0.274 0.000 2.888 29 R HA 0.769 5.109 4.340 0.001 0.000 0.264 29 R C -1.297 174.997 176.300 -0.009 0.000 1.045 29 R CA -1.094 55.088 56.100 0.137 0.000 0.962 29 R CB 2.124 32.502 30.300 0.129 0.000 1.210 29 R HN 0.560 nan 8.270 nan 0.000 0.479 30 E N 1.815 121.935 120.200 -0.132 0.000 2.216 30 E HA 0.349 4.699 4.350 0.001 0.000 0.260 30 E C -1.498 174.928 176.600 -0.290 0.000 0.880 30 E CA -0.814 55.339 56.400 -0.411 0.000 0.765 30 E CB 2.111 31.480 29.700 -0.551 0.000 1.174 30 E HN 0.417 nan 8.360 nan 0.000 0.417 31 V N 3.847 123.581 119.914 -0.300 0.000 2.667 31 V HA 0.268 4.389 4.120 0.001 0.000 0.308 31 V C -0.056 175.943 176.094 -0.158 0.000 1.048 31 V CA -0.744 61.469 62.300 -0.146 0.000 0.928 31 V CB 1.824 33.647 31.823 -0.001 0.000 1.004 31 V HN 0.735 nan 8.190 nan 0.000 0.444 32 E N 2.824 122.975 120.200 -0.081 0.000 2.201 32 E HA 0.186 4.536 4.350 0.001 0.000 0.272 32 E C -0.890 175.707 176.600 -0.005 0.000 1.228 32 E CA -0.461 55.897 56.400 -0.071 0.000 1.305 32 E CB 0.312 29.965 29.700 -0.077 0.000 1.381 32 E HN 0.595 nan 8.360 nan 0.000 0.475 33 Y N 2.321 122.565 120.300 -0.093 0.000 2.987 33 Y HA -0.187 4.363 4.550 0.001 0.000 0.339 33 Y C 0.134 175.990 175.900 -0.073 0.000 1.272 33 Y CA 0.372 58.457 58.100 -0.024 0.000 1.562 33 Y CB 0.469 38.939 38.460 0.018 0.000 1.253 33 Y HN 0.041 nan 8.280 nan 0.000 0.604 34 K N 8.744 128.687 120.400 -0.762 0.000 2.356 34 K HA 0.277 4.597 4.320 0.001 0.000 0.243 34 K C -2.637 173.453 176.600 -0.850 0.000 1.072 34 K CA -1.873 54.056 56.287 -0.597 0.000 1.014 34 K CB 0.400 32.690 32.500 -0.350 0.000 1.523 34 K HN 0.488 nan 8.250 nan 0.000 0.455 35 P HA 0.135 nan 4.420 nan 0.000 0.275 35 P C -0.481 176.734 177.300 -0.142 0.000 1.228 35 P CA -0.271 62.593 63.100 -0.393 0.000 0.786 35 P CB 1.073 32.495 31.700 -0.463 0.000 0.927 36 S N 1.439 117.118 115.700 -0.035 0.000 2.513 36 S HA 0.626 5.097 4.470 0.001 0.000 0.299 36 S C 0.031 174.557 174.600 -0.123 0.000 1.087 36 S CA -0.574 57.556 58.200 -0.116 0.000 1.012 36 S CB 0.857 63.897 63.200 -0.266 0.000 1.044 36 S HN 0.335 nan 8.310 nan 0.000 0.485 37 L N 1.302 122.350 121.223 -0.292 0.000 2.171 37 L HA 0.778 5.119 4.340 0.001 0.000 0.253 37 L C -1.521 174.986 176.870 -0.605 0.000 1.054 37 L CA -0.888 53.862 54.840 -0.150 0.000 0.927 37 L CB 1.175 43.242 42.059 0.012 0.000 1.513 37 L HN 0.548 nan 8.230 nan 0.000 0.471 38 F N -0.490 119.455 119.950 -0.009 0.000 2.645 38 F HA 0.779 5.306 4.527 0.001 0.000 0.310 38 F C -0.223 175.648 175.800 0.118 0.000 1.102 38 F CA -0.723 57.257 58.000 -0.034 0.000 0.952 38 F CB 1.942 40.904 39.000 -0.063 0.000 1.326 38 F HN 0.359 nan 8.300 nan 0.000 0.456 39 A N 0.094 123.062 122.820 0.248 0.000 2.539 39 A HA 0.684 5.004 4.320 0.001 0.000 0.296 39 A C -1.333 176.314 177.584 0.105 0.000 1.073 39 A CA -0.748 51.397 52.037 0.180 0.000 0.700 39 A CB 0.953 20.137 19.000 0.306 0.000 1.296 39 A HN 0.744 nan 8.150 nan 0.000 0.405 40 H N -0.298 118.870 119.070 0.163 0.000 2.852 40 H HA 0.368 4.924 4.556 0.001 0.000 0.362 40 H C 0.544 175.925 175.328 0.088 0.000 1.122 40 H CA 0.954 57.069 56.048 0.111 0.000 1.419 40 H CB 0.733 30.547 29.762 0.087 0.000 1.401 40 H HN 1.030 nan 8.280 nan 0.000 0.609 41 C N 2.002 121.421 119.300 0.199 0.000 3.241 41 C HA 0.569 5.029 4.460 0.001 0.000 0.312 41 C C -2.616 172.422 174.990 0.080 0.000 1.350 41 C CA -1.977 57.109 59.018 0.114 0.000 1.415 41 C CB 1.769 29.557 27.740 0.079 0.000 1.770 41 C HN 0.582 nan 8.230 nan 0.000 0.466 42 P HA 0.202 nan 4.420 nan 0.000 0.272 42 P C 0.461 177.785 177.300 0.040 0.000 1.223 42 P CA 0.484 63.610 63.100 0.043 0.000 0.784 42 P CB 0.748 32.469 31.700 0.035 0.000 0.923 43 E N 1.351 121.576 120.200 0.042 0.000 2.187 43 E HA -0.183 4.168 4.350 0.001 0.000 0.199 43 E C 1.892 178.517 176.600 0.042 0.000 1.004 43 E CA 1.907 58.337 56.400 0.050 0.000 0.813 43 E CB -0.658 29.070 29.700 0.048 0.000 0.736 43 E HN 0.409 nan 8.360 nan 0.000 0.468 44 S N 0.593 116.313 115.700 0.033 0.000 2.354 44 S HA -0.238 4.233 4.470 0.001 0.000 0.219 44 S C 1.661 176.275 174.600 0.023 0.000 1.035 44 S CA 1.434 59.649 58.200 0.026 0.000 1.037 44 S CB -0.507 62.706 63.200 0.021 0.000 0.956 44 S HN 0.401 nan 8.310 nan 0.000 0.428 45 Q N 1.576 121.388 119.800 0.021 0.000 2.615 45 Q HA 0.207 4.548 4.340 0.001 0.000 0.220 45 Q C 0.632 176.635 176.000 0.005 0.000 0.981 45 Q CA 0.153 55.965 55.803 0.015 0.000 0.939 45 Q CB -0.728 28.021 28.738 0.019 0.000 0.982 45 Q HN 0.564 nan 8.270 nan 0.000 0.550 46 A N 1.587 124.412 122.820 0.008 0.000 2.622 46 A HA -0.028 4.292 4.320 0.001 0.000 0.236 46 A C 0.841 178.407 177.584 -0.030 0.000 1.003 46 A CA 1.171 53.203 52.037 -0.007 0.000 0.781 46 A CB -0.022 19.011 19.000 0.055 0.000 0.902 46 A HN 0.454 nan 8.150 nan 0.000 0.496 47 T N -0.934 113.552 114.554 -0.114 0.000 2.544 47 T HA 0.560 4.910 4.350 0.001 0.000 0.231 47 T C 0.802 175.422 174.700 -0.134 0.000 0.794 47 T CA 0.094 62.130 62.100 -0.106 0.000 1.261 47 T CB 0.690 69.523 68.868 -0.058 0.000 1.525 47 T HN 0.758 nan 8.240 nan 0.000 0.477 48 K N -0.569 119.673 120.400 -0.263 0.000 2.360 48 K HA 0.256 4.576 4.320 0.001 0.000 0.196 48 K C -0.646 175.872 176.600 -0.137 0.000 1.049 48 K CA -0.445 55.749 56.287 -0.155 0.000 1.049 48 K CB 0.007 32.322 32.500 -0.310 0.000 0.881 48 K HN 0.594 nan 8.250 nan 0.000 0.542 49 Y N 0.860 121.105 120.300 -0.092 0.000 2.308 49 Y HA 0.428 4.979 4.550 0.001 0.000 0.329 49 Y C -0.446 175.180 175.900 -0.457 0.000 1.111 49 Y CA -1.118 56.926 58.100 -0.093 0.000 1.179 49 Y CB 0.730 39.201 38.460 0.018 0.000 1.201 49 Y HN -0.170 nan 8.280 nan 0.000 0.483 50 F N 1.250 121.291 119.950 0.151 0.000 2.608 50 F HA 0.233 4.760 4.527 0.001 0.000 0.309 50 F C -0.388 175.454 175.800 0.069 0.000 1.103 50 F CA -1.594 56.472 58.000 0.109 0.000 0.954 50 F CB 1.354 40.399 39.000 0.074 0.000 1.267 50 F HN 0.498 nan 8.300 nan 0.000 0.444 51 D N 1.507 122.071 120.400 0.274 0.000 2.414 51 D HA 0.115 4.755 4.640 0.001 0.000 0.251 51 D C 1.275 177.678 176.300 0.172 0.000 1.252 51 D CA -0.367 53.757 54.000 0.207 0.000 0.999 51 D CB 0.504 41.492 40.800 0.312 0.000 1.093 51 D HN 0.623 nan 8.370 nan 0.000 0.515 52 I N -3.580 117.030 120.570 0.065 0.000 3.083 52 I HA -0.076 4.095 4.170 0.001 0.000 0.273 52 I C 0.758 176.783 176.117 -0.154 0.000 1.297 52 I CA 0.596 61.847 61.300 -0.081 0.000 1.452 52 I CB -0.622 37.266 38.000 -0.188 0.000 1.078 52 I HN 0.201 nan 8.210 nan 0.000 0.484 53 Y N 1.847 122.199 120.300 0.087 0.000 2.468 53 Y HA 0.383 4.934 4.550 0.001 0.000 0.268 53 Y C 2.022 177.947 175.900 0.041 0.000 1.177 53 Y CA 0.399 58.528 58.100 0.049 0.000 1.265 53 Y CB 0.663 39.154 38.460 0.051 0.000 1.103 53 Y HN 0.400 nan 8.280 nan 0.000 0.522 54 G N -0.149 108.767 108.800 0.193 0.000 2.268 54 G HA2 -0.302 3.659 3.960 0.001 0.000 0.240 54 G HA3 -0.302 3.659 3.960 0.001 0.000 0.240 54 G C 0.319 175.410 174.900 0.318 0.000 1.010 54 G CA -0.237 44.963 45.100 0.168 0.000 0.618 54 G HN 0.124 nan 8.290 nan 0.000 0.516 55 K N 2.632 123.198 120.400 0.277 0.000 2.484 55 K HA 0.381 4.701 4.320 0.001 0.000 0.280 55 K C -1.783 174.994 176.600 0.294 0.000 1.013 55 K CA -1.404 55.023 56.287 0.234 0.000 1.029 55 K CB 0.584 33.132 32.500 0.080 0.000 0.902 55 K HN 0.332 nan 8.250 nan 0.000 0.481 56 P HA 0.167 nan 4.420 nan 0.000 0.274 56 P C -0.564 176.747 177.300 0.019 0.000 1.231 56 P CA -0.445 62.567 63.100 -0.147 0.000 0.790 56 P CB 0.918 32.499 31.700 -0.198 0.000 0.951 57 C N 0.333 119.616 119.300 -0.029 0.000 3.108 57 C HA 0.732 5.192 4.460 0.001 0.000 0.321 57 C C 0.291 175.377 174.990 0.161 0.000 1.357 57 C CA -0.236 58.863 59.018 0.135 0.000 1.562 57 C CB 1.973 29.828 27.740 0.192 0.000 2.003 57 C HN 0.628 nan 8.230 nan 0.000 0.460 58 T N 0.590 115.252 114.554 0.179 0.000 2.824 58 T HA 0.476 4.826 4.350 0.001 0.000 0.282 58 T C -0.624 174.066 174.700 -0.016 0.000 0.993 58 T CA -0.410 61.760 62.100 0.116 0.000 0.967 58 T CB 0.601 69.492 68.868 0.038 0.000 0.960 58 T HN 0.738 nan 8.240 nan 0.000 0.441 59 R N 3.636 124.048 120.500 -0.147 0.000 2.347 59 R HA 0.352 4.693 4.340 0.001 0.000 0.304 59 R C -0.373 175.594 176.300 -0.555 0.000 1.072 59 R CA -0.293 55.376 56.100 -0.718 0.000 0.980 59 R CB 0.374 30.267 30.300 -0.679 0.000 0.986 59 R HN 0.554 nan 8.270 nan 0.000 0.448 60 K N 5.639 125.612 120.400 -0.712 0.000 2.449 60 K HA 0.229 4.550 4.320 0.001 0.000 0.257 60 K C -0.687 175.531 176.600 -0.637 0.000 0.989 60 K CA -0.519 55.377 56.287 -0.653 0.000 0.916 60 K CB 0.901 32.923 32.500 -0.795 0.000 1.136 60 K HN 0.559 nan 8.250 nan 0.000 0.439 61 L N 3.890 124.787 121.223 -0.544 0.000 2.464 61 L HA 0.367 4.707 4.340 0.001 0.000 0.264 61 L C -0.876 175.632 176.870 -0.604 0.000 1.199 61 L CA -0.060 54.541 54.840 -0.397 0.000 0.818 61 L CB 0.381 42.265 42.059 -0.292 0.000 1.102 61 L HN 0.518 nan 8.230 nan 0.000 0.473 62 F N 0.431 120.197 119.950 -0.307 0.000 2.576 62 F HA 0.402 4.930 4.527 0.001 0.000 0.313 62 F C 0.778 176.441 175.800 -0.230 0.000 1.078 62 F CA -0.534 57.307 58.000 -0.266 0.000 0.921 62 F CB 1.785 40.619 39.000 -0.278 0.000 1.232 62 F HN 0.456 nan 8.300 nan 0.000 0.459 63 A N 1.906 124.715 122.820 -0.018 0.000 2.121 63 A HA 0.110 4.430 4.320 0.001 0.000 0.218 63 A C 0.091 177.641 177.584 -0.057 0.000 1.154 63 A CA 1.747 53.752 52.037 -0.054 0.000 0.679 63 A CB -1.028 17.944 19.000 -0.046 0.000 0.795 63 A HN 0.915 nan 8.150 nan 0.000 0.458 67 D N 1.216 121.624 120.400 0.014 0.000 2.133 67 D HA -0.097 4.543 4.640 0.001 0.000 0.195 67 D C 1.556 177.891 176.300 0.058 0.000 0.997 67 D CA 2.059 56.132 54.000 0.121 0.000 0.840 67 D CB -0.262 40.672 40.800 0.224 0.000 0.947 67 D HN 0.457 nan 8.370 nan 0.000 0.452 68 A N 0.275 122.877 122.820 -0.362 0.000 1.898 68 A HA -0.117 4.203 4.320 0.001 0.000 0.216 68 A C 2.436 179.924 177.584 -0.159 0.000 1.181 68 A CA 1.687 53.148 52.037 -0.961 0.000 0.620 68 A CB -0.459 17.859 19.000 -1.137 0.000 0.819 68 A HN 0.163 nan 8.150 nan 0.000 0.442 69 S N -0.138 115.594 115.700 0.053 0.000 2.356 69 S HA -0.175 4.295 4.470 0.001 0.000 0.223 69 S C 2.149 176.810 174.600 0.102 0.000 1.032 69 S CA 1.377 59.668 58.200 0.152 0.000 1.005 69 S CB -0.331 62.968 63.200 0.165 0.000 0.867 69 S HN 0.578 nan 8.310 nan 0.000 0.449 70 Q N 0.021 119.882 119.800 0.101 0.000 2.112 70 Q HA -0.160 4.180 4.340 0.001 0.000 0.206 70 Q C 1.782 177.864 176.000 0.136 0.000 0.987 70 Q CA 1.373 57.238 55.803 0.103 0.000 0.858 70 Q CB -0.658 28.151 28.738 0.118 0.000 0.905 70 Q HN 0.760 nan 8.270 nan 0.000 0.420 71 W N 1.201 122.526 121.300 0.041 0.000 2.342 71 W HA -0.146 4.515 4.660 0.001 0.000 0.297 71 W C 1.842 178.388 176.519 0.045 0.000 1.213 71 W CA 1.205 58.608 57.345 0.098 0.000 1.251 71 W CB -0.304 29.301 29.460 0.241 0.000 1.136 71 W HN 0.066 nan 8.180 nan 0.000 0.526 72 I N 0.770 121.348 120.570 0.013 0.000 2.286 72 I HA -0.268 3.902 4.170 0.001 0.000 0.245 72 I C 2.716 178.718 176.117 -0.190 0.000 1.104 72 I CA 1.815 63.021 61.300 -0.157 0.000 1.397 72 I CB -1.167 36.838 38.000 0.008 0.000 1.072 72 I HN 0.031 nan 8.210 nan 0.000 0.417 73 K N 1.120 121.463 120.400 -0.095 0.000 2.032 73 K HA -0.132 4.188 4.320 0.001 0.000 0.209 73 K C 1.632 178.156 176.600 -0.128 0.000 1.048 73 K CA 1.047 57.283 56.287 -0.085 0.000 0.927 73 K CB -0.844 31.635 32.500 -0.035 0.000 0.712 73 K HN 0.281 nan 8.250 nan 0.000 0.441 77 D N 1.523 121.853 120.400 -0.117 0.000 2.123 77 D HA -0.118 4.523 4.640 0.001 0.000 0.196 77 D C 1.762 178.017 176.300 -0.076 0.000 0.992 77 D CA 1.493 55.442 54.000 -0.085 0.000 0.833 77 D CB 0.087 40.842 40.800 -0.075 0.000 0.954 77 D HN 0.432 nan 8.370 nan 0.000 0.455 78 I N -4.126 116.393 120.570 -0.085 0.000 3.812 78 I HA 0.366 4.536 4.170 0.001 0.000 0.320 78 I C 1.092 177.170 176.117 -0.066 0.000 1.276 78 I CA 0.437 61.697 61.300 -0.067 0.000 1.164 78 I CB -0.027 37.936 38.000 -0.062 0.000 1.009 78 I HN 0.064 nan 8.210 nan 0.000 0.431 79 G N 2.043 110.794 108.800 -0.080 0.000 2.160 79 G HA2 -0.177 3.784 3.960 0.001 0.000 0.244 79 G HA3 -0.177 3.784 3.960 0.001 0.000 0.244 79 G C -0.216 174.644 174.900 -0.066 0.000 1.022 79 G CA -0.158 44.899 45.100 -0.072 0.000 0.741 79 G HN 0.317 nan 8.290 nan 0.000 0.508 80 L N 0.533 121.700 121.223 -0.093 0.000 2.295 80 L HA 0.454 4.794 4.340 0.001 0.000 0.285 80 L C 0.842 177.650 176.870 -0.104 0.000 1.035 80 L CA -0.508 54.288 54.840 -0.075 0.000 0.806 80 L CB 1.472 43.482 42.059 -0.082 0.000 1.214 80 L HN 0.319 nan 8.230 nan 0.000 0.426 81 E N 1.823 121.999 120.200 -0.040 0.000 2.415 81 E HA 0.213 4.564 4.350 0.001 0.000 0.263 81 E C -0.422 176.128 176.600 -0.084 0.000 0.995 81 E CA -0.174 56.193 56.400 -0.055 0.000 0.915 81 E CB 1.043 30.743 29.700 -0.000 0.000 0.951 81 E HN 0.649 nan 8.360 nan 0.000 0.449 82 A N 6.612 129.389 122.820 -0.072 0.000 2.801 82 A HA 0.229 4.549 4.320 0.001 0.000 0.344 82 A C -0.240 177.449 177.584 0.174 0.000 1.322 82 A CA -0.659 51.403 52.037 0.043 0.000 0.913 82 A CB 0.066 18.983 19.000 -0.139 0.000 1.140 82 A HN 0.431 nan 8.150 nan 0.000 0.487 83 L N 1.176 122.513 121.223 0.190 0.000 2.483 83 L HA 0.509 4.849 4.340 0.001 0.000 0.275 83 L C 1.099 178.155 176.870 0.310 0.000 1.220 83 L CA 1.800 56.743 54.840 0.172 0.000 0.833 83 L CB -0.506 41.617 42.059 0.107 0.000 1.102 83 L HN 1.047 nan 8.230 nan 0.000 0.490 87 D N 0.654 120.727 120.400 -0.545 0.000 2.468 87 D HA 0.181 4.821 4.640 0.001 0.000 0.218 87 D C 0.626 176.711 176.300 -0.357 0.000 1.155 87 D CA -0.546 53.161 54.000 -0.489 0.000 0.924 87 D CB -0.026 40.613 40.800 -0.269 0.000 1.029 87 D HN -0.127 nan 8.370 nan 0.000 0.515 88 F N 2.456 122.396 119.950 -0.017 0.000 2.154 88 F HA -0.165 4.362 4.527 0.001 0.000 0.301 88 F C 2.258 178.007 175.800 -0.085 0.000 1.087 88 F CA 0.898 58.904 58.000 0.010 0.000 1.274 88 F CB -0.544 38.507 39.000 0.085 0.000 1.009 88 F HN 0.319 nan 8.300 nan 0.000 0.485 89 K N -0.236 120.197 120.400 0.057 0.000 2.074 89 K HA -0.194 4.126 4.320 0.001 0.000 0.209 89 K C 1.988 178.593 176.600 0.008 0.000 1.048 89 K CA 1.212 57.499 56.287 -0.001 0.000 0.926 89 K CB -0.502 31.983 32.500 -0.025 0.000 0.713 89 K HN 0.127 nan 8.250 nan 0.000 0.444 90 L N 0.660 121.879 121.223 -0.008 0.000 2.046 90 L HA -0.133 4.208 4.340 0.001 0.000 0.208 90 L C 2.385 179.354 176.870 0.166 0.000 1.077 90 L CA 1.767 56.632 54.840 0.041 0.000 0.747 90 L CB -1.335 40.716 42.059 -0.013 0.000 0.896 90 L HN 0.158 nan 8.230 nan 0.000 0.432 91 A N -1.217 121.704 122.820 0.167 0.000 1.845 91 A HA -0.317 4.003 4.320 0.001 0.000 0.215 91 A C 2.341 179.981 177.584 0.094 0.000 1.195 91 A CA 1.785 54.012 52.037 0.316 0.000 0.616 91 A CB -1.273 17.960 19.000 0.389 0.000 0.832 91 A HN 0.480 nan 8.150 nan 0.000 0.443 92 Y N 0.723 120.807 120.300 -0.360 0.000 2.139 92 Y HA -0.274 4.276 4.550 0.001 0.000 0.282 92 Y C 1.961 177.755 175.900 -0.178 0.000 1.179 92 Y CA 2.153 59.895 58.100 -0.596 0.000 1.161 92 Y CB -0.316 37.647 38.460 -0.828 0.000 0.970 92 Y HN 0.237 nan 8.280 nan 0.000 0.511 93 L N -1.026 120.145 121.223 -0.087 0.000 2.027 93 L HA -0.216 4.125 4.340 0.001 0.000 0.206 93 L C 2.826 179.680 176.870 -0.027 0.000 1.074 93 L CA 1.586 56.383 54.840 -0.073 0.000 0.745 93 L CB -1.006 40.955 42.059 -0.163 0.000 0.898 93 L HN 0.263 nan 8.230 nan 0.000 0.433 94 S N -0.227 115.479 115.700 0.009 0.000 2.387 94 S HA -0.222 4.248 4.470 0.001 0.000 0.230 94 S C 1.553 176.120 174.600 -0.055 0.000 1.035 94 S CA 1.904 60.101 58.200 -0.006 0.000 1.014 94 S CB -0.185 63.029 63.200 0.023 0.000 0.836 94 S HN 0.394 nan 8.310 nan 0.000 0.466 95 D N 0.471 120.826 120.400 -0.077 0.000 2.110 95 D HA 0.014 4.655 4.640 0.001 0.000 0.202 95 D C 2.140 178.308 176.300 -0.220 0.000 0.975 95 D CA 1.625 55.569 54.000 -0.093 0.000 0.839 95 D CB -1.030 39.769 40.800 -0.003 0.000 0.996 95 D HN 0.392 nan 8.370 nan 0.000 0.464 96 T N -0.440 113.849 114.554 -0.442 0.000 2.929 96 T HA -0.150 4.200 4.350 0.001 0.000 0.271 96 T C 0.207 174.408 174.700 -0.832 0.000 1.085 96 T CA 0.919 62.627 62.100 -0.653 0.000 1.125 96 T CB -0.178 68.135 68.868 -0.925 0.000 0.874 96 T HN 0.186 nan 8.240 nan 0.000 0.494 97 Y N 1.817 121.972 120.300 -0.242 0.000 2.511 97 Y HA 0.299 4.849 4.550 0.001 0.000 0.356 97 Y C 0.587 176.206 175.900 -0.468 0.000 1.002 97 Y CA -1.755 56.058 58.100 -0.478 0.000 1.127 97 Y CB -0.523 37.692 38.460 -0.409 0.000 1.137 97 Y HN 0.156 nan 8.280 nan 0.000 0.652 98 N N -0.272 118.335 118.700 -0.155 0.000 2.535 98 N HA -0.037 4.704 4.740 0.001 0.000 0.203 98 N C -0.619 174.949 175.510 0.097 0.000 1.301 98 N CA 0.242 53.287 53.050 -0.009 0.000 0.859 98 N CB -0.565 37.958 38.487 0.060 0.000 1.055 98 N HN 0.481 nan 8.380 nan 0.000 0.457 99 Y N -3.283 117.075 120.300 0.096 0.000 2.677 99 Y HA 0.492 5.042 4.550 0.001 0.000 0.334 99 Y C -0.242 175.729 175.900 0.119 0.000 1.154 99 Y CA -2.008 56.148 58.100 0.094 0.000 1.070 99 Y CB 0.632 39.150 38.460 0.096 0.000 1.294 99 Y HN -0.032 nan 8.280 nan 0.000 0.475 100 E N 2.592 122.958 120.200 0.277 0.000 2.220 100 E HA 0.170 4.521 4.350 0.001 0.000 0.272 100 E C -0.500 176.262 176.600 0.270 0.000 1.099 100 E CA -0.530 55.989 56.400 0.198 0.000 0.907 100 E CB 0.354 30.171 29.700 0.194 0.000 1.022 100 E HN 0.538 nan 8.360 nan 0.000 0.428 101 I N 4.721 125.381 120.570 0.151 0.000 2.826 101 I HA -0.099 4.071 4.170 0.001 0.000 0.295 101 I C 0.443 176.642 176.117 0.136 0.000 1.213 101 I CA 0.877 62.257 61.300 0.133 0.000 1.436 101 I CB -0.122 37.864 38.000 -0.023 0.000 1.348 101 I HN 0.521 nan 8.210 nan 0.000 0.570 102 K N 7.926 128.401 120.400 0.125 0.000 2.579 102 K HA 0.258 4.579 4.320 0.001 0.000 0.225 102 K C -0.585 175.896 176.600 -0.198 0.000 0.992 102 K CA -0.607 55.690 56.287 0.017 0.000 1.018 102 K CB 1.309 33.843 32.500 0.056 0.000 1.249 102 K HN 0.425 nan 8.250 nan 0.000 0.489 103 Y N -0.815 119.058 120.300 -0.712 0.000 2.374 103 Y HA 0.596 5.147 4.550 0.001 0.000 0.322 103 Y C -0.145 175.291 175.900 -0.774 0.000 1.275 103 Y CA -1.473 55.757 58.100 -1.451 0.000 1.307 103 Y CB 0.770 38.160 38.460 -1.783 0.000 1.282 103 Y HN 0.250 nan 8.280 nan 0.000 0.509 104 D N 0.494 120.456 120.400 -0.731 0.000 2.420 104 D HA 0.111 4.751 4.640 0.001 0.000 0.255 104 D C 0.488 176.736 176.300 -0.088 0.000 1.185 104 D CA -0.573 53.263 54.000 -0.274 0.000 0.904 104 D CB -0.143 40.635 40.800 -0.037 0.000 1.102 104 D HN 0.855 nan 8.370 nan 0.000 0.534 105 H N 0.860 119.896 119.070 -0.056 0.000 2.492 105 H HA -0.116 4.441 4.556 0.001 0.000 0.296 105 H C 1.100 176.508 175.328 0.132 0.000 1.095 105 H CA 1.857 57.979 56.048 0.124 0.000 1.281 105 H CB -0.167 29.662 29.762 0.111 0.000 1.374 105 H HN 0.192 nan 8.280 nan 0.000 0.545 106 T N -0.539 113.675 114.554 -0.566 0.000 2.881 106 T HA -0.121 4.229 4.350 0.001 0.000 0.270 106 T C 2.239 176.907 174.700 -0.053 0.000 1.068 106 T CA 2.203 64.090 62.100 -0.355 0.000 1.131 106 T CB -0.234 68.450 68.868 -0.307 0.000 0.871 106 T HN 0.793 nan 8.240 nan 0.000 0.479 107 K N 0.775 121.211 120.400 0.060 0.000 2.323 107 K HA 0.331 4.651 4.320 0.001 0.000 0.197 107 K C 0.929 177.616 176.600 0.145 0.000 1.043 107 K CA 0.163 56.519 56.287 0.114 0.000 0.997 107 K CB -0.398 32.207 32.500 0.175 0.000 0.807 107 K HN 0.497 nan 8.250 nan 0.000 0.497 108 I N 2.482 123.184 120.570 0.220 0.000 2.494 108 I HA 0.085 4.256 4.170 0.001 0.000 0.289 108 I C 0.635 176.841 176.117 0.148 0.000 1.106 108 I CA -0.387 61.048 61.300 0.226 0.000 1.369 108 I CB 0.779 38.961 38.000 0.304 0.000 1.410 108 I HN 0.261 nan 8.210 nan 0.000 0.523 109 R N 6.739 127.292 120.500 0.087 0.000 2.309 109 R HA 0.284 4.624 4.340 0.001 0.000 0.331 109 R C -1.159 175.169 176.300 0.047 0.000 1.116 109 R CA -0.264 55.860 56.100 0.039 0.000 0.970 109 R CB 0.320 30.597 30.300 -0.038 0.000 1.024 109 R HN 0.477 nan 8.270 nan 0.000 0.472 110 V N 4.335 124.307 119.914 0.096 0.000 2.328 110 V HA 0.494 4.614 4.120 0.001 0.000 0.278 110 V C 0.098 176.273 176.094 0.134 0.000 1.021 110 V CA -0.692 61.682 62.300 0.123 0.000 0.838 110 V CB 1.118 33.053 31.823 0.187 0.000 0.999 110 V HN 0.829 nan 8.190 nan 0.000 0.447 111 A N 4.965 127.830 122.820 0.076 0.000 2.350 111 A HA 0.919 5.239 4.320 0.001 0.000 0.324 111 A C -0.428 177.226 177.584 0.118 0.000 1.118 111 A CA -0.769 51.309 52.037 0.068 0.000 0.783 111 A CB 1.254 20.178 19.000 -0.125 0.000 1.236 111 A HN 1.008 nan 8.150 nan 0.000 0.457 112 N N -0.054 118.771 118.700 0.208 0.000 2.310 112 N HA 0.740 5.481 4.740 0.001 0.000 0.292 112 N C -0.804 174.895 175.510 0.314 0.000 1.049 112 N CA -0.655 52.546 53.050 0.252 0.000 0.849 112 N CB 1.497 40.127 38.487 0.237 0.000 1.532 112 N HN 0.587 nan 8.380 nan 0.000 0.479 113 F N -1.075 118.928 119.950 0.088 0.000 2.814 113 F HA 0.892 5.419 4.527 0.001 0.000 0.353 113 F C -1.265 174.625 175.800 0.149 0.000 1.177 113 F CA -0.982 57.100 58.000 0.136 0.000 1.036 113 F CB 1.305 40.385 39.000 0.133 0.000 1.455 113 F HN 0.484 nan 8.300 nan 0.000 0.520 114 D N -0.118 120.338 120.400 0.093 0.000 2.706 114 D HA 0.487 5.127 4.640 0.001 0.000 0.227 114 D C -1.453 174.926 176.300 0.131 0.000 1.233 114 D CA -0.327 53.645 54.000 -0.047 0.000 0.768 114 D CB 2.023 42.815 40.800 -0.013 0.000 1.490 114 D HN 0.915 nan 8.370 nan 0.000 0.458 115 I N -1.317 119.314 120.570 0.101 0.000 3.170 115 I HA 0.825 4.996 4.170 0.001 0.000 0.312 115 I C -0.859 175.298 176.117 0.066 0.000 1.085 115 I CA -0.632 60.723 61.300 0.093 0.000 0.999 115 I CB 2.275 40.314 38.000 0.064 0.000 1.233 115 I HN 0.073 nan 8.210 nan 0.000 0.467 116 E N 2.013 122.245 120.200 0.054 0.000 2.317 116 E HA 0.614 4.964 4.350 0.001 0.000 0.270 116 E C -1.442 175.222 176.600 0.106 0.000 0.885 116 E CA -0.732 55.712 56.400 0.072 0.000 0.760 116 E CB 2.912 32.634 29.700 0.037 0.000 1.227 116 E HN 0.519 nan 8.360 nan 0.000 0.434 117 V N 2.048 122.027 119.914 0.109 0.000 2.595 117 V HA 0.101 4.221 4.120 0.001 0.000 0.269 117 V C -0.238 175.918 176.094 0.105 0.000 0.982 117 V CA -0.675 61.655 62.300 0.050 0.000 0.873 117 V CB 1.615 33.315 31.823 -0.204 0.000 1.051 117 V HN 0.630 nan 8.190 nan 0.000 0.466 118 T N 3.229 117.869 114.554 0.143 0.000 2.800 118 T HA 0.107 4.458 4.350 0.001 0.000 0.283 118 T C 0.380 175.055 174.700 -0.042 0.000 0.999 118 T CA 1.135 63.252 62.100 0.028 0.000 1.176 118 T CB 0.378 69.208 68.868 -0.063 0.000 0.973 118 T HN 0.697 nan 8.240 nan 0.000 0.519 119 S N 4.594 120.274 115.700 -0.034 0.000 2.707 119 S HA 0.476 4.946 4.470 0.001 0.000 0.303 119 S C -1.642 172.936 174.600 -0.036 0.000 1.132 119 S CA -1.610 56.650 58.200 0.100 0.000 1.046 119 S CB 1.556 64.835 63.200 0.133 0.000 1.004 119 S HN 0.434 nan 8.310 nan 0.000 0.483 120 P HA 0.060 nan 4.420 nan 0.000 0.219 120 P C 0.031 177.356 177.300 0.041 0.000 1.154 120 P CA 0.843 63.886 63.100 -0.094 0.000 0.826 120 P CB -0.112 31.490 31.700 -0.164 0.000 0.795 121 D N -0.187 120.295 120.400 0.138 0.000 3.071 121 D HA 0.371 5.012 4.640 0.001 0.000 0.259 121 D C 1.017 177.394 176.300 0.127 0.000 1.331 121 D CA -0.477 53.602 54.000 0.132 0.000 0.861 121 D CB -0.313 40.579 40.800 0.154 0.000 1.059 121 D HN 0.272 nan 8.370 nan 0.000 0.486 122 G N 0.409 109.276 108.800 0.113 0.000 2.545 122 G HA2 -0.204 3.757 3.960 0.001 0.000 0.216 122 G HA3 -0.204 3.757 3.960 0.001 0.000 0.216 122 G C -0.692 174.292 174.900 0.141 0.000 1.314 122 G CA -0.700 44.478 45.100 0.130 0.000 0.906 122 G HN 0.310 nan 8.290 nan 0.000 0.563 123 F N 4.369 124.339 119.950 0.035 0.000 2.578 123 F HA 0.464 4.992 4.527 0.001 0.000 0.381 123 F C -0.782 175.045 175.800 0.044 0.000 1.069 123 F CA -1.226 56.789 58.000 0.024 0.000 1.231 123 F CB 0.672 39.680 39.000 0.014 0.000 1.086 123 F HN 0.289 nan 8.300 nan 0.000 0.564 124 P HA -0.033 nan 4.420 nan 0.000 0.256 124 P C -0.577 176.539 177.300 -0.307 0.000 1.688 124 P CA -0.034 62.835 63.100 -0.385 0.000 1.162 124 P CB 0.082 31.664 31.700 -0.197 0.000 1.870 125 E N 4.532 124.645 120.200 -0.144 0.000 2.820 125 E HA -0.095 4.255 4.350 0.001 0.000 0.251 125 E C -1.140 175.477 176.600 0.029 0.000 0.944 125 E CA -0.596 55.851 56.400 0.078 0.000 0.955 125 E CB 0.542 30.303 29.700 0.102 0.000 0.904 125 E HN 0.429 nan 8.360 nan 0.000 0.513 126 P HA -0.067 nan 4.420 nan 0.000 0.236 126 P C 0.735 177.935 177.300 -0.168 0.000 1.177 126 P CA 0.603 63.647 63.100 -0.095 0.000 0.773 126 P CB 0.327 32.093 31.700 0.109 0.000 0.878 127 S N -1.838 113.834 115.700 -0.047 0.000 2.631 127 S HA 0.102 4.572 4.470 0.001 0.000 0.217 127 S C 1.502 176.054 174.600 -0.080 0.000 0.958 127 S CA 0.036 58.211 58.200 -0.043 0.000 0.920 127 S CB -0.325 62.882 63.200 0.011 0.000 0.776 127 S HN 0.068 nan 8.310 nan 0.000 0.517 128 Q N 0.108 119.819 119.800 -0.147 0.000 2.563 128 Q HA 0.445 4.785 4.340 0.001 0.000 0.236 128 Q C 1.044 176.903 176.000 -0.235 0.000 0.792 128 Q CA 0.815 56.535 55.803 -0.138 0.000 0.960 128 Q CB -0.314 28.377 28.738 -0.079 0.000 1.304 128 Q HN 0.755 nan 8.270 nan 0.000 0.566 129 A N 1.155 123.717 122.820 -0.429 0.000 2.872 129 A HA -0.274 4.046 4.320 0.001 0.000 0.273 129 A C 1.567 179.072 177.584 -0.132 0.000 1.442 129 A CA 1.809 53.477 52.037 -0.614 0.000 0.801 129 A CB -2.420 16.201 19.000 -0.631 0.000 1.031 129 A HN 0.408 nan 8.150 nan 0.000 0.582 130 K N -1.103 119.261 120.400 -0.061 0.000 2.293 130 K HA -0.075 4.245 4.320 0.001 0.000 0.204 130 K C 0.665 177.573 176.600 0.514 0.000 1.045 130 K CA 2.250 58.621 56.287 0.140 0.000 0.933 130 K CB -0.674 31.887 32.500 0.103 0.000 0.736 130 K HN 1.077 nan 8.250 nan 0.000 0.463 131 H N -1.726 117.465 119.070 0.201 0.000 2.771 131 H HA 0.499 5.056 4.556 0.001 0.000 0.367 131 H C -2.764 172.718 175.328 0.257 0.000 1.172 131 H CA -2.904 53.294 56.048 0.249 0.000 1.186 131 H CB 1.553 31.481 29.762 0.276 0.000 1.790 131 H HN 0.023 nan 8.280 nan 0.000 0.556 132 P HA 0.223 nan 4.420 nan 0.000 0.284 132 P C -0.123 177.289 177.300 0.186 0.000 1.253 132 P CA -0.322 62.905 63.100 0.212 0.000 0.800 132 P CB 1.188 32.968 31.700 0.133 0.000 0.961 133 I N 3.165 123.814 120.570 0.131 0.000 2.494 133 I HA -0.028 4.142 4.170 0.001 0.000 0.289 133 I C 0.803 176.970 176.117 0.083 0.000 1.106 133 I CA 0.389 61.718 61.300 0.049 0.000 1.369 133 I CB -0.095 37.917 38.000 0.021 0.000 1.410 133 I HN 0.376 nan 8.210 nan 0.000 0.523 134 D N 5.029 125.501 120.400 0.120 0.000 2.525 134 D HA 0.531 5.171 4.640 0.001 0.000 0.229 134 D C -0.136 176.293 176.300 0.215 0.000 1.202 134 D CA -0.356 53.740 54.000 0.159 0.000 0.828 134 D CB 0.671 41.560 40.800 0.149 0.000 1.008 134 D HN 0.516 nan 8.370 nan 0.000 0.493 135 A N 0.128 123.054 122.820 0.176 0.000 2.588 135 A HA 0.510 4.830 4.320 0.001 0.000 0.305 135 A C -1.845 175.801 177.584 0.105 0.000 0.991 135 A CA -0.848 51.303 52.037 0.191 0.000 0.784 135 A CB 0.315 19.487 19.000 0.287 0.000 1.189 135 A HN 0.184 nan 8.150 nan 0.000 0.390 136 I N 1.427 122.065 120.570 0.113 0.000 2.644 136 I HA 0.509 4.680 4.170 0.001 0.000 0.291 136 I C -0.680 175.543 176.117 0.176 0.000 1.180 136 I CA -0.454 60.868 61.300 0.036 0.000 1.040 136 I CB 2.868 40.670 38.000 -0.329 0.000 1.255 136 I HN 0.625 nan 8.210 nan 0.000 0.422 137 T N 3.311 118.006 114.554 0.236 0.000 2.841 137 T HA 0.366 4.716 4.350 0.001 0.000 0.285 137 T C -1.034 173.965 174.700 0.499 0.000 0.991 137 T CA -0.513 61.806 62.100 0.364 0.000 0.966 137 T CB 1.073 70.122 68.868 0.302 0.000 0.962 137 T HN 0.610 nan 8.240 nan 0.000 0.438 138 H N 2.471 121.818 119.070 0.460 0.000 2.970 138 H HA 0.458 5.015 4.556 0.001 0.000 0.315 138 H C -1.492 174.145 175.328 0.515 0.000 0.992 138 H CA -0.917 55.450 56.048 0.531 0.000 1.363 138 H CB 0.704 30.809 29.762 0.572 0.000 1.532 138 H HN 0.690 nan 8.280 nan 0.000 0.514 139 Y N 4.552 125.117 120.300 0.441 0.000 2.299 139 Y HA 0.202 4.752 4.550 0.001 0.000 0.326 139 Y C -0.605 175.486 175.900 0.317 0.000 1.164 139 Y CA -0.328 57.848 58.100 0.126 0.000 1.234 139 Y CB 1.079 39.295 38.460 -0.406 0.000 1.219 139 Y HN 0.645 nan 8.280 nan 0.000 0.497 140 D N 3.734 123.731 120.400 -0.672 0.000 2.381 140 D HA 0.083 4.723 4.640 0.001 0.000 0.235 140 D C 0.663 176.613 176.300 -0.585 0.000 1.068 140 D CA 0.071 53.865 54.000 -0.342 0.000 0.832 140 D CB 2.143 42.952 40.800 0.015 0.000 1.101 140 D HN 0.795 nan 8.370 nan 0.000 0.515 141 S N 3.890 119.526 115.700 -0.106 0.000 2.368 141 S HA -0.212 4.258 4.470 0.001 0.000 0.226 141 S C 2.034 176.670 174.600 0.059 0.000 1.044 141 S CA 1.166 59.443 58.200 0.127 0.000 1.062 141 S CB -0.195 63.121 63.200 0.193 0.000 0.931 141 S HN 0.637 nan 8.310 nan 0.000 0.440 142 I N 1.524 122.106 120.570 0.020 0.000 2.058 142 I HA -0.188 3.982 4.170 0.001 0.000 0.235 142 I C 2.313 178.449 176.117 0.031 0.000 1.053 142 I CA 1.926 63.244 61.300 0.030 0.000 1.313 142 I CB -0.616 37.391 38.000 0.012 0.000 1.039 142 I HN 0.301 nan 8.210 nan 0.000 0.396 143 D N 0.179 120.593 120.400 0.022 0.000 2.178 143 D HA -0.203 4.437 4.640 0.001 0.000 0.201 143 D C 0.851 177.172 176.300 0.035 0.000 0.980 143 D CA 1.302 55.343 54.000 0.069 0.000 0.842 143 D CB -0.426 40.490 40.800 0.193 0.000 0.948 143 D HN 0.325 nan 8.370 nan 0.000 0.472 144 D N -0.007 120.344 120.400 -0.082 0.000 2.739 144 D HA -0.170 4.470 4.640 0.001 0.000 0.240 144 D C -0.940 175.400 176.300 0.066 0.000 1.114 144 D CA 0.460 54.464 54.000 0.007 0.000 0.695 144 D CB -0.539 40.367 40.800 0.177 0.000 1.078 144 D HN 0.103 nan 8.370 nan 0.000 0.434 145 R N -0.009 120.406 120.500 -0.141 0.000 2.795 145 R HA 0.528 4.868 4.340 0.001 0.000 0.275 145 R C -0.441 175.790 176.300 -0.114 0.000 0.981 145 R CA -0.643 55.424 56.100 -0.054 0.000 0.917 145 R CB 0.694 30.813 30.300 -0.303 0.000 1.202 145 R HN -0.021 nan 8.270 nan 0.000 0.469 146 F N 1.841 121.739 119.950 -0.086 0.000 2.361 146 F HA 0.352 4.879 4.527 0.001 0.000 0.364 146 F C -0.046 175.698 175.800 -0.094 0.000 1.117 146 F CA -0.676 57.388 58.000 0.106 0.000 1.071 146 F CB 0.692 39.792 39.000 0.167 0.000 1.188 146 F HN 0.288 nan 8.300 nan 0.000 0.464 147 Y N 3.034 123.550 120.300 0.360 0.000 2.595 147 Y HA 0.395 4.945 4.550 0.001 0.000 0.347 147 Y C 0.084 176.272 175.900 0.479 0.000 1.025 147 Y CA -0.853 57.420 58.100 0.287 0.000 1.295 147 Y CB 0.297 38.818 38.460 0.102 0.000 1.147 147 Y HN 0.201 nan 8.280 nan 0.000 0.515 148 V N 4.661 124.798 119.914 0.372 0.000 2.530 148 V HA 0.135 4.255 4.120 0.001 0.000 0.282 148 V C -0.383 175.904 176.094 0.322 0.000 1.048 148 V CA -0.495 62.024 62.300 0.365 0.000 0.997 148 V CB 0.242 32.185 31.823 0.201 0.000 0.987 148 V HN 0.385 nan 8.190 nan 0.000 0.477 149 F N 2.794 122.810 119.950 0.109 0.000 2.443 149 F HA 0.373 4.901 4.527 0.001 0.000 0.369 149 F C 0.187 176.064 175.800 0.129 0.000 1.090 149 F CA -1.260 56.812 58.000 0.119 0.000 1.129 149 F CB 0.867 39.843 39.000 -0.041 0.000 1.367 149 F HN 0.449 nan 8.300 nan 0.000 0.465 150 D N 3.268 123.824 120.400 0.260 0.000 2.280 150 D HA 0.200 4.841 4.640 0.001 0.000 0.243 150 D C -0.812 175.690 176.300 0.336 0.000 1.129 150 D CA -0.393 53.789 54.000 0.303 0.000 0.848 150 D CB 1.463 42.511 40.800 0.413 0.000 1.107 150 D HN 0.368 nan 8.370 nan 0.000 0.471 151 L N 4.927 126.330 121.223 0.300 0.000 2.281 151 L HA 0.227 4.568 4.340 0.001 0.000 0.285 151 L C 0.377 177.393 176.870 0.244 0.000 1.074 151 L CA 0.007 55.000 54.840 0.255 0.000 0.817 151 L CB 0.763 42.934 42.059 0.187 0.000 1.168 151 L HN 0.519 nan 8.230 nan 0.000 0.434 152 L N 3.529 124.867 121.223 0.191 0.000 2.253 152 L HA 0.207 4.548 4.340 0.001 0.000 0.205 152 L C 0.795 177.703 176.870 0.064 0.000 1.078 152 L CA 0.305 55.216 54.840 0.119 0.000 0.805 152 L CB -0.093 42.020 42.059 0.091 0.000 0.963 152 L HN 0.717 nan 8.230 nan 0.000 0.459 153 N N 0.119 118.863 118.700 0.073 0.000 2.392 153 N HA 0.324 5.064 4.740 0.001 0.000 0.283 153 N C -1.010 174.524 175.510 0.040 0.000 1.003 153 N CA -0.134 52.941 53.050 0.041 0.000 0.892 153 N CB 1.202 39.710 38.487 0.034 0.000 1.193 153 N HN 0.018 nan 8.380 nan 0.000 0.487 154 S N 2.022 117.732 115.700 0.017 0.000 2.537 154 S HA 0.396 4.866 4.470 0.001 0.000 0.270 154 S C -2.561 171.986 174.600 -0.089 0.000 1.142 154 S CA -0.993 57.202 58.200 -0.007 0.000 0.870 154 S CB 2.139 65.375 63.200 0.060 0.000 1.112 154 S HN 0.405 nan 8.310 nan 0.000 0.466 155 P HA -0.011 nan 4.420 nan 0.000 0.249 155 P C -0.610 176.369 177.300 -0.533 0.000 1.227 155 P CA 0.805 63.678 63.100 -0.378 0.000 0.753 155 P CB -0.515 30.898 31.700 -0.479 0.000 0.966 156 Y N 0.003 120.287 120.300 -0.027 0.000 2.672 156 Y HA 0.499 5.050 4.550 0.001 0.000 0.272 156 Y C 1.312 177.197 175.900 -0.026 0.000 1.055 156 Y CA -0.349 57.733 58.100 -0.031 0.000 1.151 156 Y CB 0.321 38.760 38.460 -0.035 0.000 1.190 156 Y HN 0.036 nan 8.280 nan 0.000 0.574 157 G N 1.175 110.006 108.800 0.051 0.000 2.692 157 G HA2 -0.227 3.733 3.960 0.001 0.000 0.686 157 G HA3 -0.227 3.733 3.960 0.001 0.000 0.686 157 G C -1.016 173.893 174.900 0.015 0.000 1.243 157 G CA -0.818 44.299 45.100 0.029 0.000 0.782 157 G HN 0.454 nan 8.290 nan 0.000 0.625 158 N N -0.878 117.820 118.700 -0.004 0.000 2.417 158 N HA 0.774 5.514 4.740 0.001 0.000 0.300 158 N C -0.116 175.364 175.510 -0.050 0.000 1.102 158 N CA -0.685 52.356 53.050 -0.015 0.000 0.886 158 N CB 1.755 40.235 38.487 -0.012 0.000 1.203 158 N HN 0.655 nan 8.380 nan 0.000 0.496 159 V N 0.850 120.701 119.914 -0.106 0.000 3.078 159 V HA 0.320 4.441 4.120 0.001 0.000 0.311 159 V C -0.175 175.778 176.094 -0.235 0.000 1.138 159 V CA -0.862 61.303 62.300 -0.224 0.000 1.007 159 V CB 1.700 33.236 31.823 -0.479 0.000 1.045 159 V HN 0.721 nan 8.190 nan 0.000 0.432 160 E N 1.150 121.233 120.200 -0.195 0.000 2.410 160 E HA 0.182 4.533 4.350 0.001 0.000 0.255 160 E C 0.261 176.824 176.600 -0.060 0.000 1.194 160 E CA 0.246 56.593 56.400 -0.088 0.000 0.955 160 E CB 0.444 30.120 29.700 -0.039 0.000 0.988 160 E HN 0.665 nan 8.360 nan 0.000 0.461 161 E N 0.174 120.432 120.200 0.096 0.000 2.569 161 E HA 0.091 4.441 4.350 0.001 0.000 0.258 161 E C -0.756 176.037 176.600 0.322 0.000 1.390 161 E CA -0.091 56.490 56.400 0.302 0.000 1.049 161 E CB 0.250 30.151 29.700 0.335 0.000 1.009 161 E HN 0.462 nan 8.360 nan 0.000 0.580 162 W N -0.229 121.083 121.300 0.021 0.000 2.367 162 W HA 0.415 5.075 4.660 0.001 0.000 0.369 162 W C -0.722 175.613 176.519 -0.307 0.000 1.276 162 W CA -0.507 56.703 57.345 -0.225 0.000 1.415 162 W CB 1.331 30.430 29.460 -0.602 0.000 1.306 162 W HN 0.193 nan 8.180 nan 0.000 0.669 163 S N 3.107 118.042 115.700 -1.276 0.000 2.736 163 S HA 0.206 4.677 4.470 0.001 0.000 0.285 163 S C 0.676 174.393 174.600 -1.472 0.000 1.163 163 S CA -0.512 57.063 58.200 -1.041 0.000 1.025 163 S CB 0.075 62.951 63.200 -0.540 0.000 1.030 163 S HN 0.608 nan 8.310 nan 0.000 0.486 164 I N 2.025 121.900 120.570 -1.157 0.000 2.614 164 I HA -0.011 4.159 4.170 0.001 0.000 0.258 164 I C 1.543 177.391 176.117 -0.449 0.000 1.189 164 I CA 1.069 61.880 61.300 -0.815 0.000 1.462 164 I CB -0.295 37.509 38.000 -0.326 0.000 1.092 164 I HN 0.496 nan 8.210 nan 0.000 0.442 165 E N 2.550 122.524 120.200 -0.377 0.000 2.033 165 E HA -0.021 4.329 4.350 0.001 0.000 0.189 165 E C 2.551 179.015 176.600 -0.228 0.000 0.979 165 E CA 1.771 58.032 56.400 -0.232 0.000 0.802 165 E CB -0.737 28.855 29.700 -0.179 0.000 0.763 165 E HN 0.585 nan 8.360 nan 0.000 0.449 166 I N 0.569 120.968 120.570 -0.285 0.000 3.241 166 I HA 0.294 4.465 4.170 0.001 0.000 0.280 166 I C 2.041 178.032 176.117 -0.211 0.000 1.320 166 I CA 1.620 62.788 61.300 -0.220 0.000 1.413 166 I CB -1.539 36.330 38.000 -0.218 0.000 1.060 166 I HN 0.257 nan 8.210 nan 0.000 0.500 167 A N -0.842 121.807 122.820 -0.285 0.000 2.259 167 A HA 0.653 4.973 4.320 0.001 0.000 0.213 167 A C 2.275 179.838 177.584 -0.035 0.000 1.209 167 A CA 0.990 52.952 52.037 -0.125 0.000 0.910 167 A CB -0.204 18.713 19.000 -0.137 0.000 0.946 167 A HN 1.191 nan 8.150 nan 0.000 0.497 168 A N -0.337 122.434 122.820 -0.083 0.000 2.195 168 A HA 0.475 4.796 4.320 0.001 0.000 0.210 168 A C 1.405 178.969 177.584 -0.034 0.000 1.165 168 A CA 0.975 52.986 52.037 -0.044 0.000 0.806 168 A CB -0.534 18.428 19.000 -0.062 0.000 0.847 168 A HN 0.515 nan 8.150 nan 0.000 0.482 169 K N 0.680 121.053 120.400 -0.045 0.000 2.379 169 K HA 0.509 4.829 4.320 0.001 0.000 0.284 169 K C -0.001 176.592 176.600 -0.011 0.000 1.044 169 K CA -0.374 55.894 56.287 -0.032 0.000 0.974 169 K CB -0.520 31.954 32.500 -0.042 0.000 0.962 169 K HN 0.259 nan 8.250 nan 0.000 0.474 170 L N 1.270 122.489 121.223 -0.006 0.000 2.453 170 L HA -0.025 4.315 4.340 0.001 0.000 0.274 170 L C 2.457 179.332 176.870 0.008 0.000 1.270 170 L CA 0.718 55.560 54.840 0.003 0.000 0.822 170 L CB 0.092 42.151 42.059 0.000 0.000 1.091 170 L HN 0.959 nan 8.230 nan 0.000 0.546 171 Q N 0.324 120.132 119.800 0.013 0.000 2.062 171 Q HA -0.128 4.212 4.340 0.001 0.000 0.196 171 Q C 1.295 177.301 176.000 0.011 0.000 0.967 171 Q CA 1.125 56.938 55.803 0.017 0.000 0.832 171 Q CB -0.041 28.710 28.738 0.021 0.000 0.899 171 Q HN 0.715 nan 8.270 nan 0.000 0.442 172 E N 0.666 120.870 120.200 0.006 0.000 2.526 172 E HA -0.226 4.124 4.350 0.001 0.000 0.206 172 E C 0.841 177.442 176.600 0.001 0.000 1.139 172 E CA 1.187 57.589 56.400 0.003 0.000 0.913 172 E CB -0.016 29.684 29.700 0.001 0.000 0.868 172 E HN 0.738 nan 8.360 nan 0.000 0.564 173 Q N -1.436 118.365 119.800 0.001 0.000 2.399 173 Q HA 0.209 4.549 4.340 0.001 0.000 0.181 173 Q C 1.295 177.294 176.000 -0.002 0.000 0.699 173 Q CA 0.273 56.074 55.803 -0.003 0.000 0.910 173 Q CB -0.164 28.569 28.738 -0.008 0.000 1.256 173 Q HN 0.060 nan 8.270 nan 0.000 0.414 174 G N 0.103 108.902 108.800 -0.002 0.000 3.365 174 G HA2 0.498 4.459 3.960 0.001 0.000 0.185 174 G HA3 0.498 4.459 3.960 0.001 0.000 0.185 174 G C 0.518 175.427 174.900 0.015 0.000 1.565 174 G CA 0.084 45.184 45.100 -0.001 0.000 0.984 174 G HN 0.509 nan 8.290 nan 0.000 0.604 175 G N -1.412 107.402 108.800 0.025 0.000 3.858 175 G HA2 0.243 4.204 3.960 0.001 0.000 0.164 175 G HA3 0.243 4.204 3.960 0.001 0.000 0.164 175 G C -0.863 174.078 174.900 0.068 0.000 1.116 175 G CA 0.031 45.159 45.100 0.047 0.000 0.830 175 G HN 0.375 nan 8.290 nan 0.000 0.666 176 D N 0.810 121.250 120.400 0.066 0.000 2.505 176 D HA 0.455 5.096 4.640 0.001 0.000 0.249 176 D C -0.394 175.948 176.300 0.071 0.000 1.082 176 D CA -0.282 53.777 54.000 0.098 0.000 0.839 176 D CB 1.975 42.865 40.800 0.150 0.000 1.317 176 D HN 0.153 nan 8.370 nan 0.000 0.497 177 E N 0.902 121.148 120.200 0.077 0.000 3.269 177 E HA 0.184 4.534 4.350 0.001 0.000 0.221 177 E C -0.403 176.232 176.600 0.060 0.000 1.113 177 E CA -0.371 56.061 56.400 0.054 0.000 1.385 177 E CB 1.082 30.808 29.700 0.043 0.000 1.345 177 E HN 0.156 nan 8.360 nan 0.000 0.435 178 V N 2.847 122.803 119.914 0.070 0.000 2.458 178 V HA -0.002 4.118 4.120 0.001 0.000 0.287 178 V C -1.772 174.321 176.094 -0.002 0.000 1.009 178 V CA -0.924 61.405 62.300 0.048 0.000 1.091 178 V CB -0.544 31.327 31.823 0.080 0.000 0.960 178 V HN 0.261 nan 8.190 nan 0.000 0.476 179 P HA -0.025 nan 4.420 nan 0.000 0.272 179 P C 1.007 178.260 177.300 -0.078 0.000 1.239 179 P CA 0.472 63.560 63.100 -0.019 0.000 0.807 179 P CB 0.383 32.106 31.700 0.038 0.000 0.951 180 S N -0.936 114.728 115.700 -0.059 0.000 2.421 180 S HA -0.081 4.389 4.470 0.001 0.000 0.224 180 S C 1.426 175.973 174.600 -0.089 0.000 1.035 180 S CA 0.528 58.690 58.200 -0.064 0.000 0.953 180 S CB -0.964 62.215 63.200 -0.035 0.000 0.810 180 S HN 0.332 nan 8.310 nan 0.000 0.497 181 E N 1.938 122.087 120.200 -0.085 0.000 2.233 181 E HA -0.132 4.218 4.350 0.001 0.000 0.199 181 E C 1.195 177.706 176.600 -0.148 0.000 1.004 181 E CA 1.515 57.866 56.400 -0.081 0.000 0.819 181 E CB -0.625 29.055 29.700 -0.033 0.000 0.738 181 E HN 0.935 nan 8.360 nan 0.000 0.478 182 I N -3.723 116.666 120.570 -0.302 0.000 3.813 182 I HA 0.241 4.412 4.170 0.001 0.000 0.323 182 I C 0.799 176.705 176.117 -0.353 0.000 1.536 182 I CA -0.200 60.861 61.300 -0.398 0.000 1.083 182 I CB 0.570 38.032 38.000 -0.897 0.000 1.265 182 I HN -0.105 nan 8.210 nan 0.000 0.507 183 I N 1.417 121.873 120.570 -0.190 0.000 2.494 183 I HA -0.008 4.163 4.170 0.001 0.000 0.250 183 I C 1.551 177.642 176.117 -0.044 0.000 1.112 183 I CA 1.275 62.513 61.300 -0.103 0.000 1.438 183 I CB -0.121 37.839 38.000 -0.067 0.000 1.111 183 I HN 0.243 nan 8.210 nan 0.000 0.431 184 D N 1.212 121.591 120.400 -0.035 0.000 2.178 184 D HA -0.169 4.471 4.640 0.001 0.000 0.201 184 D C 1.753 178.065 176.300 0.019 0.000 0.980 184 D CA 1.039 55.037 54.000 -0.003 0.000 0.842 184 D CB -0.004 40.797 40.800 0.001 0.000 0.948 184 D HN 0.408 nan 8.370 nan 0.000 0.472 185 K N 0.198 120.613 120.400 0.025 0.000 2.487 185 K HA 0.114 4.434 4.320 0.001 0.000 0.192 185 K C 1.008 177.674 176.600 0.110 0.000 1.027 185 K CA 0.013 56.358 56.287 0.096 0.000 1.054 185 K CB 0.583 33.211 32.500 0.212 0.000 0.824 185 K HN 0.177 nan 8.250 nan 0.000 0.510 186 I N 0.977 121.576 120.570 0.048 0.000 3.079 186 I HA 0.087 4.257 4.170 0.001 0.000 0.295 186 I C 0.433 176.587 176.117 0.061 0.000 1.094 186 I CA -0.143 61.204 61.300 0.078 0.000 1.295 186 I CB 0.592 38.659 38.000 0.113 0.000 1.443 186 I HN -0.049 nan 8.210 nan 0.000 0.607 187 I N 3.077 123.682 120.570 0.059 0.000 2.678 187 I HA 0.099 4.269 4.170 0.001 0.000 0.269 187 I C -0.694 175.489 176.117 0.110 0.000 1.323 187 I CA -0.370 60.947 61.300 0.028 0.000 0.982 187 I CB 0.727 38.629 38.000 -0.163 0.000 1.321 187 I HN 0.404 nan 8.210 nan 0.000 0.519 191 F N 0.588 120.504 119.950 -0.055 0.000 2.480 191 F HA 0.274 4.801 4.527 0.001 0.000 0.329 191 F C 1.335 177.153 175.800 0.030 0.000 1.091 191 F CA -0.513 57.486 58.000 -0.002 0.000 0.972 191 F CB 1.669 40.691 39.000 0.037 0.000 1.150 191 F HN 0.193 nan 8.300 nan 0.000 0.467 192 D N -0.275 120.210 120.400 0.141 0.000 2.317 192 D HA -0.039 4.601 4.640 0.001 0.000 0.211 192 D C 0.257 176.630 176.300 0.122 0.000 0.966 192 D CA 0.858 54.919 54.000 0.101 0.000 0.876 192 D CB 0.182 41.014 40.800 0.054 0.000 0.927 192 D HN 0.215 nan 8.370 nan 0.000 0.519 193 N N 0.014 118.819 118.700 0.176 0.000 2.284 193 N HA 0.033 4.773 4.740 0.001 0.000 0.289 193 N C 0.082 175.684 175.510 0.153 0.000 1.179 193 N CA -0.332 52.802 53.050 0.140 0.000 0.774 193 N CB 2.132 40.694 38.487 0.124 0.000 1.548 193 N HN -0.217 nan 8.380 nan 0.000 0.473 194 E N 1.705 121.964 120.200 0.098 0.000 2.028 194 E HA -0.148 4.202 4.350 0.001 0.000 0.190 194 E C 1.592 178.233 176.600 0.068 0.000 0.984 194 E CA 1.607 58.048 56.400 0.069 0.000 0.800 194 E CB 0.046 29.768 29.700 0.037 0.000 0.758 194 E HN 0.696 nan 8.360 nan 0.000 0.448 195 K N 1.448 121.888 120.400 0.067 0.000 2.160 195 K HA -0.223 4.097 4.320 0.001 0.000 0.206 195 K C 1.719 178.485 176.600 0.276 0.000 1.047 195 K CA 1.923 58.289 56.287 0.132 0.000 0.930 195 K CB -0.835 31.743 32.500 0.129 0.000 0.720 195 K HN 0.355 nan 8.250 nan 0.000 0.450 196 E N -0.517 119.805 120.200 0.204 0.000 2.152 196 E HA -0.012 4.339 4.350 0.001 0.000 0.192 196 E C 2.063 178.775 176.600 0.186 0.000 0.983 196 E CA 0.689 57.227 56.400 0.231 0.000 0.818 196 E CB -0.038 29.814 29.700 0.254 0.000 0.758 196 E HN 0.550 nan 8.360 nan 0.000 0.467 197 L N 0.776 122.018 121.223 0.031 0.000 2.007 197 L HA -0.006 4.335 4.340 0.001 0.000 0.205 197 L C 1.131 177.892 176.870 -0.183 0.000 1.073 197 L CA 0.476 55.045 54.840 -0.451 0.000 0.744 197 L CB -0.089 41.798 42.059 -0.287 0.000 0.898 197 L HN 0.096 nan 8.230 nan 0.000 0.435 201 Y N 1.929 122.362 120.300 0.221 0.000 2.181 201 Y HA 0.016 4.566 4.550 0.001 0.000 0.288 201 Y C 1.878 177.889 175.900 0.185 0.000 1.146 201 Y CA 2.227 60.433 58.100 0.178 0.000 1.164 201 Y CB -0.267 38.128 38.460 -0.109 0.000 0.982 201 Y HN 0.194 nan 8.280 nan 0.000 0.515 202 L N 0.003 121.272 121.223 0.077 0.000 2.013 202 L HA -0.329 4.012 4.340 0.001 0.000 0.212 202 L C 2.090 178.952 176.870 -0.013 0.000 1.073 202 L CA 1.860 56.667 54.840 -0.056 0.000 0.753 202 L CB -0.572 41.446 42.059 -0.069 0.000 0.890 202 L HN 0.331 nan 8.230 nan 0.000 0.432 203 N N -0.641 118.088 118.700 0.049 0.000 2.300 203 N HA -0.167 4.574 4.740 0.001 0.000 0.179 203 N C 1.711 177.271 175.510 0.083 0.000 1.016 203 N CA 0.919 54.003 53.050 0.056 0.000 0.876 203 N CB -0.192 38.333 38.487 0.064 0.000 0.979 203 N HN 0.235 nan 8.380 nan 0.000 0.432 204 F N 1.246 121.186 119.950 -0.017 0.000 2.171 204 F HA -0.129 4.398 4.527 0.001 0.000 0.300 204 F C 2.220 177.914 175.800 -0.178 0.000 1.090 204 F CA 1.033 58.982 58.000 -0.085 0.000 1.293 204 F CB -0.410 38.595 39.000 0.008 0.000 1.013 204 F HN 0.108 nan 8.300 nan 0.000 0.486 205 W N 1.564 122.493 121.300 -0.617 0.000 2.363 205 W HA -0.184 4.476 4.660 0.001 0.000 0.296 205 W C 1.998 178.257 176.519 -0.435 0.000 1.212 205 W CA 1.797 58.736 57.345 -0.678 0.000 1.260 205 W CB -0.328 28.780 29.460 -0.587 0.000 1.131 205 W HN 0.170 nan 8.180 nan 0.000 0.530 206 Q N 0.052 119.846 119.800 -0.010 0.000 2.016 206 Q HA -0.214 4.126 4.340 0.001 0.000 0.200 206 Q C 2.515 178.435 176.000 -0.133 0.000 0.978 206 Q CA 2.730 58.518 55.803 -0.025 0.000 0.833 206 Q CB -1.468 27.270 28.738 -0.001 0.000 0.895 206 Q HN 0.573 nan 8.270 nan 0.000 0.427 207 Q N 1.720 121.427 119.800 -0.155 0.000 2.061 207 Q HA -0.142 4.199 4.340 0.001 0.000 0.204 207 Q C 1.048 176.885 176.000 -0.271 0.000 0.984 207 Q CA 2.031 57.737 55.803 -0.160 0.000 0.846 207 Q CB -0.438 28.241 28.738 -0.097 0.000 0.902 207 Q HN 0.255 nan 8.270 nan 0.000 0.421 208 K N 1.209 121.305 120.400 -0.506 0.000 3.147 208 K HA 0.296 4.616 4.320 0.001 0.000 0.214 208 K C -0.791 175.414 176.600 -0.660 0.000 1.221 208 K CA -0.101 55.834 56.287 -0.586 0.000 1.117 208 K CB 0.460 32.446 32.500 -0.857 0.000 1.278 208 K HN 0.324 nan 8.250 nan 0.000 0.479 209 T N 3.669 117.917 114.554 -0.511 0.000 2.792 209 T HA 0.042 4.393 4.350 0.001 0.000 0.286 209 T C -2.304 172.088 174.700 -0.514 0.000 0.970 209 T CA -0.857 60.884 62.100 -0.598 0.000 1.187 209 T CB 0.071 68.770 68.868 -0.281 0.000 0.915 209 T HN 0.107 nan 8.240 nan 0.000 0.529 210 P HA 0.132 nan 4.420 nan 0.000 0.269 210 P C 0.428 177.607 177.300 -0.201 0.000 1.209 210 P CA -0.261 62.587 63.100 -0.420 0.000 0.776 210 P CB 0.659 32.029 31.700 -0.550 0.000 0.876 211 V N 1.961 121.823 119.914 -0.087 0.000 2.908 211 V HA 0.120 4.241 4.120 0.001 0.000 0.240 211 V C 0.782 176.888 176.094 0.020 0.000 1.117 211 V CA 1.025 63.322 62.300 -0.006 0.000 1.133 211 V CB 0.005 31.855 31.823 0.045 0.000 0.857 211 V HN 0.412 nan 8.190 nan 0.000 0.478 212 I N 2.292 122.879 120.570 0.028 0.000 2.382 212 I HA 0.390 4.560 4.170 0.001 0.000 0.285 212 I C -0.976 175.178 176.117 0.062 0.000 1.007 212 I CA -0.512 60.819 61.300 0.052 0.000 1.142 212 I CB 1.410 39.453 38.000 0.073 0.000 1.289 212 I HN 0.091 nan 8.210 nan 0.000 0.453 213 L N 7.136 128.409 121.223 0.083 0.000 2.262 213 L HA 0.572 4.912 4.340 0.001 0.000 0.288 213 L C 0.156 177.129 176.870 0.172 0.000 1.035 213 L CA 0.665 55.586 54.840 0.135 0.000 0.820 213 L CB 1.263 43.438 42.059 0.193 0.000 1.204 213 L HN 0.704 nan 8.230 nan 0.000 0.424 214 T N 2.558 117.230 114.554 0.197 0.000 2.633 214 T HA 0.971 5.321 4.350 0.001 0.000 0.262 214 T C -0.150 174.661 174.700 0.186 0.000 0.920 214 T CA 0.013 62.237 62.100 0.207 0.000 1.062 214 T CB 1.241 70.276 68.868 0.279 0.000 1.390 214 T HN 1.013 nan 8.240 nan 0.000 0.549 215 G N -0.159 108.785 108.800 0.241 0.000 2.247 215 G HA2 0.099 4.060 3.960 0.001 0.000 0.229 215 G HA3 0.099 4.060 3.960 0.001 0.000 0.229 215 G C -1.907 173.174 174.900 0.302 0.000 1.345 215 G CA -0.118 45.095 45.100 0.189 0.000 1.100 215 G HN 0.724 nan 8.290 nan 0.000 0.473 216 W N 2.398 123.711 121.300 0.022 0.000 2.533 216 W HA 0.541 5.202 4.660 0.001 0.000 0.291 216 W C 0.361 176.901 176.519 0.035 0.000 1.013 216 W CA 0.032 57.410 57.345 0.054 0.000 1.436 216 W CB 0.154 29.623 29.460 0.016 0.000 1.291 216 W HN 0.955 nan 8.180 nan 0.000 0.396 217 N N 1.885 120.536 118.700 -0.081 0.000 2.999 217 N HA -0.248 4.492 4.740 0.001 0.000 0.242 217 N C 1.013 176.568 175.510 0.074 0.000 1.016 217 N CA 0.687 53.734 53.050 -0.005 0.000 0.894 217 N CB -1.037 37.519 38.487 0.115 0.000 1.113 217 N HN 0.200 nan 8.380 nan 0.000 0.555 218 V N -1.708 118.210 119.914 0.007 0.000 2.343 218 V HA -0.222 3.899 4.120 0.001 0.000 0.247 218 V C 2.003 178.119 176.094 0.037 0.000 1.051 218 V CA 2.395 64.669 62.300 -0.043 0.000 1.036 218 V CB -0.517 31.226 31.823 -0.133 0.000 0.654 218 V HN 0.440 nan 8.190 nan 0.000 0.451 219 E N 1.980 122.195 120.200 0.026 0.000 2.106 219 E HA -0.210 4.141 4.350 0.001 0.000 0.192 219 E C 2.211 178.831 176.600 0.033 0.000 0.984 219 E CA 1.789 58.204 56.400 0.024 0.000 0.806 219 E CB -0.244 29.442 29.700 -0.023 0.000 0.750 219 E HN 0.847 nan 8.360 nan 0.000 0.458 220 S N -1.102 114.627 115.700 0.049 0.000 2.425 220 S HA -0.031 4.440 4.470 0.001 0.000 0.225 220 S C 1.640 176.378 174.600 0.229 0.000 1.024 220 S CA 0.540 58.797 58.200 0.094 0.000 0.951 220 S CB -0.162 63.075 63.200 0.061 0.000 0.796 220 S HN 0.474 nan 8.310 nan 0.000 0.498 221 F N 1.261 121.269 119.950 0.098 0.000 2.423 221 F HA 0.602 5.129 4.527 0.001 0.000 0.269 221 F C 2.334 178.242 175.800 0.179 0.000 0.880 221 F CA 0.368 58.474 58.000 0.178 0.000 1.134 221 F CB -0.538 38.604 39.000 0.237 0.000 1.143 221 F HN 0.180 nan 8.300 nan 0.000 0.802 222 A N 1.891 124.644 122.820 -0.112 0.000 1.852 222 A HA -0.212 4.108 4.320 0.001 0.000 0.217 222 A C 2.154 179.745 177.584 0.011 0.000 1.215 222 A CA 2.597 54.500 52.037 -0.224 0.000 0.641 222 A CB -1.506 17.365 19.000 -0.216 0.000 0.838 222 A HN 0.539 nan 8.150 nan 0.000 0.450 223 I N 0.229 120.899 120.570 0.166 0.000 2.087 223 I HA -0.238 3.932 4.170 0.001 0.000 0.240 223 I C -0.495 175.693 176.117 0.118 0.000 1.054 223 I CA 2.160 63.606 61.300 0.243 0.000 1.311 223 I CB -1.253 36.876 38.000 0.215 0.000 1.024 223 I HN 0.254 nan 8.210 nan 0.000 0.402 224 P HA -0.212 nan 4.420 nan 0.000 0.218 224 P C 1.444 178.745 177.300 0.002 0.000 1.148 224 P CA 1.509 64.626 63.100 0.027 0.000 0.822 224 P CB -0.116 31.591 31.700 0.012 0.000 0.784 225 Y N 0.323 120.509 120.300 -0.191 0.000 2.133 225 Y HA -0.183 4.368 4.550 0.001 0.000 0.287 225 Y C 2.226 178.050 175.900 -0.127 0.000 1.134 225 Y CA 1.237 59.185 58.100 -0.253 0.000 1.133 225 Y CB -0.996 37.097 38.460 -0.611 0.000 0.987 225 Y HN -0.299 nan 8.280 nan 0.000 0.502 226 V N -0.253 119.760 119.914 0.166 0.000 2.252 226 V HA -0.359 3.761 4.120 0.001 0.000 0.249 226 V C 2.009 178.133 176.094 0.050 0.000 1.056 226 V CA 2.290 64.662 62.300 0.120 0.000 1.022 226 V CB -1.300 30.590 31.823 0.112 0.000 0.641 226 V HN 0.543 nan 8.190 nan 0.000 0.445 227 Y N 1.871 122.132 120.300 -0.065 0.000 2.009 227 Y HA -0.299 4.252 4.550 0.001 0.000 0.260 227 Y C 2.708 178.548 175.900 -0.101 0.000 1.118 227 Y CA 2.300 60.345 58.100 -0.091 0.000 1.087 227 Y CB -0.726 37.687 38.460 -0.080 0.000 0.970 227 Y HN 0.207 nan 8.280 nan 0.000 0.481 228 N N 0.363 119.077 118.700 0.024 0.000 2.133 228 N HA -0.266 4.474 4.740 0.001 0.000 0.193 228 N C 1.965 177.328 175.510 -0.246 0.000 1.012 228 N CA 1.758 54.726 53.050 -0.137 0.000 0.871 228 N CB -0.534 37.900 38.487 -0.089 0.000 1.011 228 N HN 0.294 nan 8.380 nan 0.000 0.435 229 R N 1.273 121.628 120.500 -0.242 0.000 2.080 229 R HA 0.068 4.408 4.340 0.001 0.000 0.236 229 R C 2.280 178.437 176.300 -0.239 0.000 1.137 229 R CA 1.091 57.064 56.100 -0.211 0.000 0.943 229 R CB -0.830 29.422 30.300 -0.080 0.000 0.846 229 R HN 0.248 nan 8.270 nan 0.000 0.431 230 I N 0.712 121.147 120.570 -0.224 0.000 2.163 230 I HA -0.321 3.849 4.170 0.001 0.000 0.243 230 I C 2.479 178.455 176.117 -0.235 0.000 1.085 230 I CA 1.677 62.845 61.300 -0.221 0.000 1.347 230 I CB -0.404 37.562 38.000 -0.057 0.000 1.044 230 I HN 0.305 nan 8.210 nan 0.000 0.408 231 K N 1.064 121.262 120.400 -0.336 0.000 2.089 231 K HA -0.246 4.074 4.320 0.001 0.000 0.210 231 K C 1.826 178.313 176.600 -0.189 0.000 1.048 231 K CA 1.966 58.063 56.287 -0.316 0.000 0.926 231 K CB -0.034 32.201 32.500 -0.441 0.000 0.714 231 K HN 0.364 nan 8.250 nan 0.000 0.448 232 N N 0.886 119.468 118.700 -0.196 0.000 2.081 232 N HA -0.114 4.626 4.740 0.001 0.000 0.191 232 N C 2.111 177.520 175.510 -0.168 0.000 1.053 232 N CA 1.376 54.335 53.050 -0.151 0.000 0.846 232 N CB -0.559 37.842 38.487 -0.142 0.000 1.032 232 N HN 0.160 nan 8.380 nan 0.000 0.431 233 I N 0.785 121.193 120.570 -0.270 0.000 2.064 233 I HA -0.330 3.841 4.170 0.001 0.000 0.234 233 I C 1.602 177.543 176.117 -0.294 0.000 1.019 233 I CA 1.617 62.686 61.300 -0.384 0.000 1.301 233 I CB -0.286 37.287 38.000 -0.710 0.000 1.017 233 I HN -0.058 nan 8.210 nan 0.000 0.392 234 F N 0.113 120.022 119.950 -0.068 0.000 2.220 234 F HA 0.375 4.903 4.527 0.001 0.000 0.266 234 F C 1.093 176.847 175.800 -0.077 0.000 1.279 234 F CA 0.367 58.327 58.000 -0.066 0.000 1.066 234 F CB -1.310 37.646 39.000 -0.073 0.000 0.981 234 F HN 0.002 nan 8.300 nan 0.000 0.537 235 G N -1.372 107.518 108.800 0.150 0.000 2.718 235 G HA2 0.377 4.337 3.960 0.001 0.000 0.295 235 G HA3 0.377 4.337 3.960 0.001 0.000 0.295 235 G C -0.064 174.812 174.900 -0.041 0.000 1.421 235 G CA -0.242 44.871 45.100 0.023 0.000 0.902 235 G HN 0.360 nan 8.290 nan 0.000 0.501 236 E N 0.542 120.701 120.200 -0.069 0.000 2.136 236 E HA -0.279 4.071 4.350 0.001 0.000 0.202 236 E C 2.381 178.944 176.600 -0.062 0.000 1.019 236 E CA 2.790 59.133 56.400 -0.095 0.000 0.819 236 E CB -0.031 29.648 29.700 -0.036 0.000 0.739 236 E HN 0.487 nan 8.360 nan 0.000 0.458 237 S N -0.410 115.270 115.700 -0.033 0.000 2.383 237 S HA -0.212 4.259 4.470 0.001 0.000 0.229 237 S C 2.183 176.761 174.600 -0.037 0.000 1.030 237 S CA 1.715 59.900 58.200 -0.026 0.000 1.002 237 S CB -1.071 62.117 63.200 -0.020 0.000 0.829 237 S HN 0.523 nan 8.310 nan 0.000 0.467 238 T N -0.170 114.358 114.554 -0.042 0.000 3.043 238 T HA 0.424 4.774 4.350 0.001 0.000 0.263 238 T C 1.944 176.599 174.700 -0.074 0.000 1.094 238 T CA 0.584 62.647 62.100 -0.062 0.000 1.127 238 T CB -0.464 68.359 68.868 -0.076 0.000 0.905 238 T HN 0.508 nan 8.240 nan 0.000 0.490 239 A N 2.500 125.253 122.820 -0.111 0.000 1.898 239 A HA 0.018 4.338 4.320 0.001 0.000 0.216 239 A C 2.297 179.843 177.584 -0.063 0.000 1.181 239 A CA 1.046 52.944 52.037 -0.231 0.000 0.620 239 A CB -0.513 18.107 19.000 -0.634 0.000 0.819 239 A HN 0.482 nan 8.150 nan 0.000 0.442 240 K N -0.485 119.929 120.400 0.023 0.000 2.519 240 K HA -0.047 4.274 4.320 0.001 0.000 0.196 240 K C 1.667 178.273 176.600 0.010 0.000 1.041 240 K CA 0.612 56.956 56.287 0.095 0.000 0.954 240 K CB -0.112 32.422 32.500 0.058 0.000 0.774 240 K HN 0.354 nan 8.250 nan 0.000 0.480 241 R N 0.440 120.913 120.500 -0.045 0.000 2.323 241 R HA 0.055 4.395 4.340 0.001 0.000 0.198 241 R C 1.632 177.859 176.300 -0.122 0.000 0.988 241 R CA 0.199 56.260 56.100 -0.065 0.000 1.041 241 R CB 0.002 30.255 30.300 -0.078 0.000 0.926 241 R HN 0.145 nan 8.270 nan 0.000 0.476 242 L N -0.034 121.065 121.223 -0.207 0.000 2.551 242 L HA -0.009 4.331 4.340 0.001 0.000 0.228 242 L C 0.776 177.607 176.870 -0.064 0.000 1.153 242 L CA 0.405 54.938 54.840 -0.512 0.000 0.851 242 L CB 0.157 41.915 42.059 -0.502 0.000 0.959 242 L HN -0.021 nan 8.230 nan 0.000 0.451 243 S N -0.462 115.250 115.700 0.019 0.000 2.451 243 S HA 0.316 4.786 4.470 0.001 0.000 0.301 243 S C -1.448 173.152 174.600 0.001 0.000 1.116 243 S CA -1.673 56.562 58.200 0.058 0.000 1.093 243 S CB 1.266 64.489 63.200 0.039 0.000 1.017 243 S HN -0.082 nan 8.310 nan 0.000 0.482 244 P HA -0.091 nan 4.420 nan 0.000 0.219 244 P C 0.082 177.265 177.300 -0.195 0.000 1.146 244 P CA 1.222 64.213 63.100 -0.182 0.000 0.808 244 P CB -0.094 31.409 31.700 -0.329 0.000 0.779 245 H N -1.352 117.680 119.070 -0.063 0.000 2.469 245 H HA 0.332 4.888 4.556 0.001 0.000 0.286 245 H C 0.864 176.053 175.328 -0.232 0.000 1.106 245 H CA -0.119 55.778 56.048 -0.251 0.000 1.055 245 H CB -0.598 28.825 29.762 -0.565 0.000 1.618 245 H HN 0.011 nan 8.280 nan 0.000 0.559 246 R N 1.493 121.967 120.500 -0.044 0.000 3.034 246 R HA -0.236 4.104 4.340 0.001 0.000 0.237 246 R C 0.076 176.322 176.300 -0.091 0.000 0.861 246 R CA 1.598 57.669 56.100 -0.048 0.000 0.588 246 R CB -2.849 27.428 30.300 -0.038 0.000 1.035 246 R HN 0.634 nan 8.270 nan 0.000 0.488 247 K N 0.544 120.883 120.400 -0.102 0.000 2.619 247 K HA 0.477 4.797 4.320 0.001 0.000 0.251 247 K C -0.320 176.233 176.600 -0.077 0.000 0.987 247 K CA 0.200 56.362 56.287 -0.208 0.000 0.844 247 K CB 1.672 33.851 32.500 -0.534 0.000 1.237 247 K HN 0.647 nan 8.250 nan 0.000 0.447 248 T N 0.677 115.216 114.554 -0.025 0.000 2.926 248 T HA 0.640 4.990 4.350 0.001 0.000 0.289 248 T C -0.766 173.959 174.700 0.043 0.000 1.054 248 T CA -0.915 61.212 62.100 0.044 0.000 1.015 248 T CB 1.857 70.667 68.868 -0.097 0.000 1.167 248 T HN 0.647 nan 8.240 nan 0.000 0.526 249 R N 0.761 121.290 120.500 0.050 0.000 2.584 249 R HA 0.593 4.934 4.340 0.001 0.000 0.276 249 R C -1.939 174.339 176.300 -0.037 0.000 1.046 249 R CA -0.741 55.388 56.100 0.047 0.000 0.906 249 R CB 2.273 32.683 30.300 0.182 0.000 1.215 249 R HN 0.604 nan 8.270 nan 0.000 0.449 250 V N 4.670 124.562 119.914 -0.038 0.000 2.368 250 V HA 0.251 4.372 4.120 0.001 0.000 0.266 250 V C 0.041 176.116 176.094 -0.033 0.000 1.045 250 V CA -0.241 62.028 62.300 -0.052 0.000 0.899 250 V CB 1.101 32.903 31.823 -0.034 0.000 1.006 250 V HN 0.597 nan 8.190 nan 0.000 0.470 251 K N 4.617 124.990 120.400 -0.044 0.000 2.185 251 K HA 0.634 4.955 4.320 0.001 0.000 0.269 251 K C -1.171 175.403 176.600 -0.043 0.000 0.987 251 K CA -0.522 55.739 56.287 -0.043 0.000 0.865 251 K CB 1.728 34.193 32.500 -0.057 0.000 1.090 251 K HN 0.459 nan 8.250 nan 0.000 0.450 252 V N 6.293 126.183 119.914 -0.039 0.000 2.394 252 V HA 0.367 4.487 4.120 0.001 0.000 0.282 252 V C 0.003 176.069 176.094 -0.047 0.000 1.031 252 V CA -0.733 61.546 62.300 -0.035 0.000 0.881 252 V CB 1.262 33.071 31.823 -0.025 0.000 0.982 252 V HN 0.709 nan 8.190 nan 0.000 0.451 253 I N 4.721 125.263 120.570 -0.047 0.000 2.339 253 I HA 0.418 4.589 4.170 0.001 0.000 0.290 253 I C 0.031 176.119 176.117 -0.048 0.000 0.994 253 I CA -0.456 60.807 61.300 -0.061 0.000 1.191 253 I CB 1.358 39.313 38.000 -0.075 0.000 1.343 253 I HN 0.553 nan 8.210 nan 0.000 0.458 254 E N 5.845 126.008 120.200 -0.061 0.000 2.250 254 E HA 0.584 4.935 4.350 0.001 0.000 0.269 254 E C -0.984 175.568 176.600 -0.080 0.000 1.018 254 E CA -0.625 55.739 56.400 -0.059 0.000 0.873 254 E CB 2.383 32.045 29.700 -0.064 0.000 1.134 254 E HN 0.636 nan 8.360 nan 0.000 0.403 258 G N 2.468 111.284 108.800 0.027 0.000 2.689 258 G HA2 0.166 4.126 3.960 0.001 0.000 0.298 258 G HA3 0.166 4.126 3.960 0.001 0.000 0.298 258 G C 0.376 175.294 174.900 0.030 0.000 0.527 258 G CA 1.151 46.258 45.100 0.013 0.000 1.247 258 G HN 0.709 nan 8.290 nan 0.000 0.232 259 S N 1.987 117.712 115.700 0.042 0.000 2.606 259 S HA 0.456 4.926 4.470 0.001 0.000 0.156 259 S C -0.173 174.442 174.600 0.024 0.000 1.308 259 S CA -1.002 57.218 58.200 0.033 0.000 1.228 259 S CB 0.939 64.167 63.200 0.046 0.000 1.568 259 S HN 0.481 nan 8.310 nan 0.000 0.397 260 R N 1.629 122.134 120.500 0.009 0.000 2.513 260 R HA 0.456 4.797 4.340 0.001 0.000 0.301 260 R C -1.042 175.257 176.300 -0.002 0.000 0.968 260 R CA -0.210 55.892 56.100 0.003 0.000 0.872 260 R CB 1.933 32.223 30.300 -0.017 0.000 1.177 260 R HN 0.740 nan 8.270 nan 0.000 0.444 261 E N 5.652 125.857 120.200 0.009 0.000 2.141 261 E HA 0.298 4.648 4.350 0.001 0.000 0.259 261 E C -0.517 176.079 176.600 -0.006 0.000 0.883 261 E CA -0.426 55.974 56.400 -0.001 0.000 0.744 261 E CB 0.712 30.418 29.700 0.010 0.000 1.150 261 E HN 0.607 nan 8.360 nan 0.000 0.420 262 I N 0.815 121.368 120.570 -0.029 0.000 2.863 262 I HA 0.562 4.732 4.170 0.001 0.000 0.311 262 I C -0.707 175.367 176.117 -0.072 0.000 1.026 262 I CA -1.206 60.071 61.300 -0.038 0.000 1.077 262 I CB 1.727 39.700 38.000 -0.045 0.000 1.262 262 I HN 0.245 nan 8.210 nan 0.000 0.461 263 I N 2.436 122.948 120.570 -0.096 0.000 2.382 263 I HA 0.288 4.458 4.170 0.001 0.000 0.286 263 I C -0.102 175.936 176.117 -0.132 0.000 1.002 263 I CA -0.240 60.953 61.300 -0.178 0.000 1.135 263 I CB 1.063 38.866 38.000 -0.329 0.000 1.288 263 I HN 0.653 nan 8.210 nan 0.000 0.448 264 T N 7.390 121.882 114.554 -0.103 0.000 2.832 264 T HA 0.491 4.841 4.350 0.001 0.000 0.296 264 T C 0.389 175.084 174.700 -0.008 0.000 0.968 264 T CA -0.309 61.753 62.100 -0.063 0.000 1.107 264 T CB 0.771 69.593 68.868 -0.077 0.000 0.916 264 T HN 0.286 nan 8.240 nan 0.000 0.517 265 L N 4.047 125.279 121.223 0.014 0.000 2.301 265 L HA 0.442 4.782 4.340 0.001 0.000 0.278 265 L C -0.287 176.662 176.870 0.131 0.000 1.022 265 L CA -0.926 53.968 54.840 0.090 0.000 0.854 265 L CB 0.110 42.227 42.059 0.096 0.000 1.226 265 L HN 0.531 nan 8.230 nan 0.000 0.429 266 F N 2.302 122.241 119.950 -0.019 0.000 2.635 266 F HA 0.196 4.724 4.527 0.001 0.000 0.379 266 F C 1.610 177.388 175.800 -0.036 0.000 1.094 266 F CA 1.862 59.870 58.000 0.012 0.000 1.300 266 F CB 0.422 39.441 39.000 0.032 0.000 1.035 266 F HN 0.785 nan 8.300 nan 0.000 0.581 267 G N 2.858 111.741 108.800 0.138 0.000 2.217 267 G HA2 -0.268 3.693 3.960 0.001 0.000 0.246 267 G HA3 -0.268 3.693 3.960 0.001 0.000 0.246 267 G C -0.066 174.838 174.900 0.006 0.000 0.990 267 G CA -0.061 45.035 45.100 -0.007 0.000 0.627 267 G HN 0.562 nan 8.290 nan 0.000 0.522 268 I N 1.600 122.188 120.570 0.030 0.000 2.406 268 I HA 0.444 4.614 4.170 0.001 0.000 0.290 268 I C -0.150 175.989 176.117 0.036 0.000 0.999 268 I CA -0.705 60.622 61.300 0.046 0.000 1.124 268 I CB 2.171 40.235 38.000 0.107 0.000 1.289 268 I HN -0.001 nan 8.210 nan 0.000 0.441 269 S N 5.167 120.888 115.700 0.036 0.000 2.473 269 S HA 0.194 4.665 4.470 0.001 0.000 0.312 269 S C -0.191 174.436 174.600 0.044 0.000 1.087 269 S CA -0.330 57.884 58.200 0.024 0.000 1.077 269 S CB 0.799 64.005 63.200 0.011 0.000 1.065 269 S HN 0.407 nan 8.310 nan 0.000 0.510 270 V N 6.676 126.624 119.914 0.057 0.000 2.530 270 V HA 0.416 4.537 4.120 0.001 0.000 0.282 270 V C -0.476 175.677 176.094 0.099 0.000 1.048 270 V CA -0.077 62.275 62.300 0.087 0.000 0.997 270 V CB 0.600 32.475 31.823 0.087 0.000 0.987 270 V HN 0.786 nan 8.190 nan 0.000 0.477 271 L N 6.338 127.626 121.223 0.108 0.000 2.488 271 L HA 0.385 4.726 4.340 0.001 0.000 0.250 271 L C -0.179 176.756 176.870 0.109 0.000 1.280 271 L CA -0.558 54.363 54.840 0.135 0.000 0.929 271 L CB 1.146 43.228 42.059 0.039 0.000 1.200 271 L HN 0.611 nan 8.230 nan 0.000 0.495 272 D N 0.344 120.789 120.400 0.075 0.000 2.533 272 D HA -0.158 4.483 4.640 0.001 0.000 0.236 272 D C 0.765 177.049 176.300 -0.028 0.000 1.137 272 D CA 0.573 54.576 54.000 0.004 0.000 0.867 272 D CB 0.835 41.576 40.800 -0.099 0.000 1.170 272 D HN 0.278 nan 8.370 nan 0.000 0.474 273 Y N 3.609 123.895 120.300 -0.025 0.000 2.293 273 Y HA -0.125 4.426 4.550 0.001 0.000 0.291 273 Y C 2.171 177.896 175.900 -0.291 0.000 1.137 273 Y CA 0.863 58.974 58.100 0.017 0.000 1.202 273 Y CB -0.090 38.505 38.460 0.225 0.000 0.990 273 Y HN 0.587 nan 8.280 nan 0.000 0.537 274 I N -0.452 119.729 120.570 -0.647 0.000 2.286 274 I HA -0.330 3.840 4.170 0.001 0.000 0.248 274 I C 1.564 177.425 176.117 -0.426 0.000 1.115 274 I CA 1.863 62.578 61.300 -0.976 0.000 1.392 274 I CB -0.142 37.197 38.000 -1.102 0.000 1.065 274 I HN 0.176 nan 8.210 nan 0.000 0.418 275 D N 0.446 120.624 120.400 -0.371 0.000 2.194 275 D HA -0.096 4.544 4.640 0.001 0.000 0.204 275 D C 2.319 178.474 176.300 -0.242 0.000 0.964 275 D CA 0.941 54.695 54.000 -0.409 0.000 0.846 275 D CB -0.039 40.379 40.800 -0.637 0.000 0.962 275 D HN 0.390 nan 8.370 nan 0.000 0.490 276 L N -0.079 121.082 121.223 -0.105 0.000 2.056 276 L HA -0.199 4.141 4.340 0.001 0.000 0.207 276 L C 2.495 179.193 176.870 -0.286 0.000 1.078 276 L CA 0.981 55.712 54.840 -0.182 0.000 0.749 276 L CB -0.384 41.448 42.059 -0.378 0.000 0.901 276 L HN 0.035 nan 8.230 nan 0.000 0.433 277 Y N 1.056 121.318 120.300 -0.063 0.000 2.181 277 Y HA -0.264 4.286 4.550 0.001 0.000 0.288 277 Y C 2.541 178.432 175.900 -0.015 0.000 1.146 277 Y CA 1.639 59.877 58.100 0.230 0.000 1.164 277 Y CB -0.038 38.714 38.460 0.486 0.000 0.982 277 Y HN 0.013 nan 8.280 nan 0.000 0.515 278 K N -0.153 120.162 120.400 -0.142 0.000 2.148 278 K HA -0.167 4.154 4.320 0.001 0.000 0.204 278 K C 2.120 178.407 176.600 -0.521 0.000 1.050 278 K CA 1.401 57.487 56.287 -0.334 0.000 0.942 278 K CB -0.093 32.136 32.500 -0.451 0.000 0.724 278 K HN 0.210 nan 8.250 nan 0.000 0.446 279 K N -0.035 119.969 120.400 -0.661 0.000 2.228 279 K HA -0.034 4.287 4.320 0.001 0.000 0.202 279 K C 0.717 176.615 176.600 -1.169 0.000 1.051 279 K CA 0.939 56.671 56.287 -0.925 0.000 0.960 279 K CB 0.267 32.120 32.500 -1.079 0.000 0.743 279 K HN -0.005 nan 8.250 nan 0.000 0.458 280 F N -0.767 118.690 119.950 -0.823 0.000 2.706 280 F HA 0.227 4.755 4.527 0.001 0.000 0.313 280 F C 1.967 177.463 175.800 -0.506 0.000 1.096 280 F CA -0.261 57.229 58.000 -0.850 0.000 1.219 280 F CB 0.293 38.581 39.000 -1.187 0.000 1.051 280 F HN -0.047 nan 8.300 nan 0.000 0.568 281 S N -0.172 115.284 115.700 -0.406 0.000 2.414 281 S HA -0.107 4.363 4.470 0.001 0.000 0.227 281 S C 0.863 175.471 174.600 0.013 0.000 1.022 281 S CA 0.438 58.536 58.200 -0.169 0.000 0.958 281 S CB -0.581 62.187 63.200 -0.720 0.000 0.797 281 S HN 0.245 nan 8.310 nan 0.000 0.493 282 F N 2.116 122.056 119.950 -0.017 0.000 3.067 282 F HA -0.155 4.372 4.527 0.001 0.000 0.279 282 F C 0.343 176.159 175.800 0.028 0.000 0.945 282 F CA 1.030 59.040 58.000 0.016 0.000 0.948 282 F CB -2.475 36.554 39.000 0.048 0.000 0.898 282 F HN 0.403 nan 8.300 nan 0.000 0.746 283 T N -3.035 111.572 114.554 0.088 0.000 2.982 283 T HA 0.388 4.739 4.350 0.001 0.000 0.321 283 T C -0.724 174.019 174.700 0.072 0.000 1.229 283 T CA -0.979 61.169 62.100 0.080 0.000 1.044 283 T CB 2.129 71.038 68.868 0.068 0.000 1.184 283 T HN 0.297 nan 8.240 nan 0.000 0.477 284 N N 2.279 121.012 118.700 0.054 0.000 2.485 284 N HA 0.177 4.918 4.740 0.001 0.000 0.243 284 N C -0.458 175.047 175.510 -0.009 0.000 0.987 284 N CA -0.608 52.494 53.050 0.086 0.000 0.940 284 N CB 0.531 39.052 38.487 0.056 0.000 1.122 284 N HN 0.434 nan 8.380 nan 0.000 0.509 285 Q N 2.763 122.500 119.800 -0.104 0.000 2.293 285 Q HA 0.172 4.513 4.340 0.001 0.000 0.251 285 Q C -1.696 174.137 176.000 -0.277 0.000 0.930 285 Q CA -1.654 53.958 55.803 -0.319 0.000 0.893 285 Q CB 1.259 29.582 28.738 -0.691 0.000 1.215 285 Q HN 0.528 nan 8.270 nan 0.000 0.425 286 P HA -0.069 nan 4.420 nan 0.000 0.220 286 P C 0.012 176.990 177.300 -0.536 0.000 1.148 286 P CA 1.023 63.926 63.100 -0.328 0.000 0.803 286 P CB 0.503 32.047 31.700 -0.259 0.000 0.782 287 S N -2.213 113.020 115.700 -0.777 0.000 2.541 287 S HA 0.405 4.876 4.470 0.001 0.000 0.271 287 S C -1.287 173.002 174.600 -0.520 0.000 1.133 287 S CA -0.551 57.238 58.200 -0.686 0.000 0.876 287 S CB 0.470 63.072 63.200 -0.997 0.000 1.105 287 S HN -0.159 nan 8.310 nan 0.000 0.470 288 Y N 2.555 122.814 120.300 -0.069 0.000 2.781 288 Y HA 0.318 4.868 4.550 0.001 0.000 0.326 288 Y C 1.074 177.150 175.900 0.295 0.000 1.019 288 Y CA -0.349 57.844 58.100 0.156 0.000 1.372 288 Y CB 0.415 38.957 38.460 0.136 0.000 1.260 288 Y HN 0.664 nan 8.280 nan 0.000 0.546 289 S N -0.393 115.418 115.700 0.184 0.000 2.562 289 S HA 0.114 4.584 4.470 0.001 0.000 0.275 289 S C 1.243 175.754 174.600 -0.149 0.000 1.281 289 S CA -0.765 57.511 58.200 0.128 0.000 1.045 289 S CB 1.256 64.475 63.200 0.031 0.000 0.962 289 S HN 0.416 nan 8.310 nan 0.000 0.503 290 L N 1.942 122.819 121.223 -0.576 0.000 1.997 290 L HA -0.195 4.145 4.340 0.001 0.000 0.216 290 L C 1.754 178.275 176.870 -0.581 0.000 1.074 290 L CA 2.509 56.642 54.840 -1.179 0.000 0.763 290 L CB -1.761 39.709 42.059 -0.982 0.000 0.890 290 L HN 0.960 nan 8.230 nan 0.000 0.434 291 D N -1.635 118.590 120.400 -0.290 0.000 2.137 291 D HA -0.317 4.324 4.640 0.001 0.000 0.189 291 D C 2.057 178.290 176.300 -0.112 0.000 0.998 291 D CA 2.237 56.150 54.000 -0.145 0.000 0.839 291 D CB -0.281 40.506 40.800 -0.022 0.000 0.962 291 D HN 0.452 nan 8.370 nan 0.000 0.446 292 Y N 0.471 120.670 120.300 -0.168 0.000 2.128 292 Y HA -0.205 4.345 4.550 0.001 0.000 0.284 292 Y C 2.013 177.825 175.900 -0.147 0.000 1.154 292 Y CA 1.235 59.255 58.100 -0.132 0.000 1.149 292 Y CB -0.028 38.349 38.460 -0.137 0.000 0.976 292 Y HN 0.038 nan 8.280 nan 0.000 0.505 293 I N -0.933 119.563 120.570 -0.124 0.000 2.252 293 I HA -0.265 3.905 4.170 0.001 0.000 0.245 293 I C 2.692 178.668 176.117 -0.234 0.000 1.102 293 I CA 1.684 62.847 61.300 -0.228 0.000 1.385 293 I CB -1.721 36.026 38.000 -0.421 0.000 1.064 293 I HN 0.247 nan 8.210 nan 0.000 0.414 294 S N 0.614 116.109 115.700 -0.342 0.000 2.365 294 S HA -0.274 4.197 4.470 0.001 0.000 0.225 294 S C 2.017 176.494 174.600 -0.205 0.000 1.039 294 S CA 2.141 60.159 58.200 -0.304 0.000 1.033 294 S CB -0.131 62.868 63.200 -0.335 0.000 0.887 294 S HN 0.484 nan 8.310 nan 0.000 0.447 295 E N -0.037 120.047 120.200 -0.192 0.000 2.106 295 E HA -0.086 4.265 4.350 0.001 0.000 0.192 295 E C 1.674 178.182 176.600 -0.153 0.000 0.984 295 E CA 1.270 57.567 56.400 -0.173 0.000 0.806 295 E CB -0.587 28.998 29.700 -0.192 0.000 0.750 295 E HN 0.666 nan 8.360 nan 0.000 0.458 296 F N 0.737 120.505 119.950 -0.304 0.000 2.259 296 F HA 0.036 4.564 4.527 0.001 0.000 0.298 296 F C 1.815 177.537 175.800 -0.129 0.000 1.088 296 F CA 1.204 59.063 58.000 -0.235 0.000 1.358 296 F CB 0.282 39.136 39.000 -0.244 0.000 1.040 296 F HN -0.003 nan 8.300 nan 0.000 0.505 297 E N 0.074 120.232 120.200 -0.070 0.000 2.201 297 E HA 0.069 4.419 4.350 0.001 0.000 0.193 297 E C 2.159 178.657 176.600 -0.170 0.000 0.957 297 E CA 0.797 57.128 56.400 -0.115 0.000 0.858 297 E CB 0.034 29.762 29.700 0.047 0.000 0.816 297 E HN 0.442 nan 8.360 nan 0.000 0.475 298 L N -0.394 120.729 121.223 -0.166 0.000 2.515 298 L HA 0.212 4.552 4.340 0.001 0.000 0.223 298 L C 0.551 177.330 176.870 -0.151 0.000 1.079 298 L CA 0.107 54.850 54.840 -0.161 0.000 0.857 298 L CB -0.043 41.908 42.059 -0.180 0.000 1.050 298 L HN 0.093 nan 8.230 nan 0.000 0.476 299 N N -1.447 117.157 118.700 -0.160 0.000 2.984 299 N HA -0.182 4.558 4.740 0.001 0.000 0.227 299 N C -0.198 175.246 175.510 -0.110 0.000 0.903 299 N CA 0.631 53.597 53.050 -0.139 0.000 0.995 299 N CB -0.441 37.970 38.487 -0.127 0.000 1.065 299 N HN 0.112 nan 8.380 nan 0.000 0.585 300 V N 0.449 120.295 119.914 -0.112 0.000 2.394 300 V HA 0.803 4.923 4.120 0.001 0.000 0.282 300 V C 1.304 177.347 176.094 -0.084 0.000 1.031 300 V CA 0.221 62.469 62.300 -0.087 0.000 0.881 300 V CB 0.954 32.726 31.823 -0.084 0.000 0.982 300 V HN 0.257 nan 8.190 nan 0.000 0.451 301 G N 5.635 114.400 108.800 -0.058 0.000 2.608 301 G HA2 0.330 4.290 3.960 0.001 0.000 0.212 301 G HA3 0.330 4.290 3.960 0.001 0.000 0.212 301 G C -0.399 174.489 174.900 -0.020 0.000 1.572 301 G CA -0.282 44.792 45.100 -0.044 0.000 1.064 301 G HN 0.637 nan 8.290 nan 0.000 0.556 302 K N -0.180 120.224 120.400 0.006 0.000 2.690 302 K HA 0.185 4.505 4.320 0.001 0.000 0.264 302 K C -1.294 175.333 176.600 0.045 0.000 1.040 302 K CA -0.694 55.623 56.287 0.050 0.000 0.946 302 K CB 1.844 34.400 32.500 0.092 0.000 1.268 302 K HN 0.172 nan 8.250 nan 0.000 0.473 303 L N 2.648 123.904 121.223 0.055 0.000 2.841 303 L HA -0.134 4.206 4.340 0.001 0.000 0.282 303 L C 1.142 178.021 176.870 0.015 0.000 1.130 303 L CA 1.078 55.942 54.840 0.040 0.000 0.996 303 L CB -0.798 41.300 42.059 0.066 0.000 1.364 303 L HN 0.538 nan 8.230 nan 0.000 0.466 304 K N 5.407 125.773 120.400 -0.058 0.000 2.165 304 K HA 0.133 4.453 4.320 0.001 0.000 0.270 304 K C -0.008 176.466 176.600 -0.210 0.000 1.091 304 K CA -0.213 55.950 56.287 -0.207 0.000 1.019 304 K CB -1.451 30.938 32.500 -0.184 0.000 1.101 304 K HN 0.520 nan 8.250 nan 0.000 0.397 305 Y N -0.621 119.635 120.300 -0.074 0.000 2.469 305 Y HA 0.303 4.853 4.550 0.001 0.000 0.353 305 Y C -0.060 175.820 175.900 -0.034 0.000 1.269 305 Y CA -0.995 57.069 58.100 -0.060 0.000 1.504 305 Y CB 0.357 38.752 38.460 -0.107 0.000 1.369 305 Y HN 0.576 nan 8.280 nan 0.000 0.654 306 D N -0.171 120.361 120.400 0.220 0.000 2.253 306 D HA 0.497 5.138 4.640 0.001 0.000 0.249 306 D C 0.214 176.649 176.300 0.224 0.000 1.049 306 D CA 0.852 54.930 54.000 0.130 0.000 0.929 306 D CB 1.312 42.166 40.800 0.089 0.000 1.176 306 D HN 1.055 nan 8.370 nan 0.000 0.437 307 G N 1.376 110.255 108.800 0.131 0.000 2.880 307 G HA2 -0.132 3.828 3.960 0.001 0.000 0.617 307 G HA3 -0.132 3.828 3.960 0.001 0.000 0.617 307 G C -2.466 172.567 174.900 0.221 0.000 1.493 307 G CA -1.139 44.045 45.100 0.140 0.000 0.916 307 G HN 0.478 nan 8.290 nan 0.000 0.553 308 P HA 0.124 nan 4.420 nan 0.000 0.267 308 P C 1.067 178.489 177.300 0.203 0.000 1.200 308 P CA -0.237 62.967 63.100 0.174 0.000 0.772 308 P CB 0.721 32.482 31.700 0.103 0.000 0.855 309 I N 2.917 123.619 120.570 0.220 0.000 2.567 309 I HA -0.219 3.951 4.170 0.001 0.000 0.257 309 I C 2.097 178.244 176.117 0.050 0.000 1.184 309 I CA 1.725 63.071 61.300 0.078 0.000 1.451 309 I CB -0.930 37.142 38.000 0.120 0.000 1.089 309 I HN 0.393 nan 8.210 nan 0.000 0.441 310 S N -0.549 115.187 115.700 0.061 0.000 2.507 310 S HA -0.074 4.396 4.470 0.001 0.000 0.235 310 S C 1.449 176.040 174.600 -0.015 0.000 0.988 310 S CA 0.641 58.850 58.200 0.015 0.000 0.944 310 S CB -0.428 62.775 63.200 0.005 0.000 0.762 310 S HN 0.560 nan 8.310 nan 0.000 0.526 311 K N 0.058 120.465 120.400 0.012 0.000 2.676 311 K HA 0.375 4.696 4.320 0.001 0.000 0.205 311 K C 0.350 176.951 176.600 0.002 0.000 1.084 311 K CA -0.144 56.145 56.287 0.005 0.000 1.057 311 K CB 0.606 33.121 32.500 0.025 0.000 0.791 311 K HN 0.153 nan 8.250 nan 0.000 0.484 312 L N 0.729 121.939 121.223 -0.021 0.000 2.375 312 L HA 0.152 4.493 4.340 0.001 0.000 0.215 312 L C 2.110 178.962 176.870 -0.030 0.000 1.108 312 L CA 1.262 56.076 54.840 -0.043 0.000 0.830 312 L CB -0.067 41.877 42.059 -0.193 0.000 0.959 312 L HN 0.119 nan 8.230 nan 0.000 0.457 313 R N 0.070 120.477 120.500 -0.155 0.000 2.052 313 R HA -0.056 4.285 4.340 0.001 0.000 0.226 313 R C 0.840 177.104 176.300 -0.059 0.000 1.145 313 R CA 1.155 57.076 56.100 -0.297 0.000 0.952 313 R CB -0.072 29.967 30.300 -0.435 0.000 0.847 313 R HN 0.310 nan 8.270 nan 0.000 0.431 314 E N 0.604 120.786 120.200 -0.030 0.000 2.441 314 E HA 0.045 4.395 4.350 0.001 0.000 0.210 314 E C -0.477 176.137 176.600 0.023 0.000 1.306 314 E CA -0.121 56.286 56.400 0.011 0.000 1.307 314 E CB 0.512 30.226 29.700 0.024 0.000 1.297 314 E HN 0.156 nan 8.360 nan 0.000 0.440 315 S N -0.253 115.467 115.700 0.034 0.000 4.209 315 S HA 0.078 4.549 4.470 0.001 0.000 0.225 315 S C -0.345 174.303 174.600 0.080 0.000 1.128 315 S CA -0.795 57.435 58.200 0.049 0.000 1.240 315 S CB 0.048 63.276 63.200 0.047 0.000 1.892 315 S HN 0.260 nan 8.310 nan 0.000 0.639 316 N N 2.464 121.216 118.700 0.087 0.000 3.127 316 N HA -0.010 4.730 4.740 0.001 0.000 0.317 316 N C 0.846 176.460 175.510 0.172 0.000 1.242 316 N CA 0.208 53.329 53.050 0.118 0.000 1.203 316 N CB -0.637 37.912 38.487 0.103 0.000 1.462 316 N HN 0.621 nan 8.380 nan 0.000 0.546 317 H N 0.606 119.717 119.070 0.069 0.000 2.518 317 H HA -0.105 4.451 4.556 0.001 0.000 0.294 317 H C 1.127 176.590 175.328 0.225 0.000 1.083 317 H CA 1.230 57.332 56.048 0.091 0.000 1.264 317 H CB 0.514 30.294 29.762 0.030 0.000 1.370 317 H HN 0.445 nan 8.280 nan 0.000 0.560 318 Q N 0.720 120.734 119.800 0.356 0.000 2.079 318 Q HA -0.136 4.204 4.340 0.001 0.000 0.200 318 Q C 2.805 179.015 176.000 0.349 0.000 0.974 318 Q CA 2.146 58.173 55.803 0.373 0.000 0.840 318 Q CB -0.260 28.601 28.738 0.205 0.000 0.898 318 Q HN 0.721 nan 8.270 nan 0.000 0.430 319 R N 0.015 120.653 120.500 0.231 0.000 2.075 319 R HA -0.202 4.139 4.340 0.001 0.000 0.230 319 R C 2.112 178.521 176.300 0.182 0.000 1.140 319 R CA 1.747 57.962 56.100 0.193 0.000 0.928 319 R CB -1.961 28.412 30.300 0.122 0.000 0.834 319 R HN 0.429 nan 8.270 nan 0.000 0.429 320 Y N 0.850 121.133 120.300 -0.028 0.000 2.065 320 Y HA -0.380 4.170 4.550 0.001 0.000 0.251 320 Y C 2.268 178.148 175.900 -0.032 0.000 1.258 320 Y CA 2.842 60.902 58.100 -0.066 0.000 1.070 320 Y CB -0.606 37.750 38.460 -0.175 0.000 0.880 320 Y HN 0.265 nan 8.280 nan 0.000 0.509 321 I N -0.490 120.090 120.570 0.018 0.000 2.286 321 I HA -0.311 3.859 4.170 0.001 0.000 0.248 321 I C 2.482 178.440 176.117 -0.264 0.000 1.115 321 I CA 1.884 63.042 61.300 -0.236 0.000 1.392 321 I CB -0.904 36.708 38.000 -0.646 0.000 1.065 321 I HN 0.150 nan 8.210 nan 0.000 0.418 322 S N -0.780 114.902 115.700 -0.030 0.000 2.383 322 S HA -0.203 4.268 4.470 0.001 0.000 0.227 322 S C 1.988 176.644 174.600 0.094 0.000 1.026 322 S CA 0.920 59.177 58.200 0.095 0.000 0.981 322 S CB -0.540 62.836 63.200 0.294 0.000 0.818 322 S HN 0.477 nan 8.310 nan 0.000 0.472 323 Y N 3.267 123.536 120.300 -0.051 0.000 2.097 323 Y HA -0.167 4.383 4.550 0.001 0.000 0.282 323 Y C 2.132 177.973 175.900 -0.098 0.000 1.152 323 Y CA 1.719 59.776 58.100 -0.073 0.000 1.136 323 Y CB -0.885 37.486 38.460 -0.148 0.000 0.975 323 Y HN 0.236 nan 8.280 nan 0.000 0.498 324 N N 0.115 118.720 118.700 -0.160 0.000 2.453 324 N HA -0.122 4.618 4.740 0.001 0.000 0.183 324 N C 1.487 176.945 175.510 -0.086 0.000 1.041 324 N CA 1.491 54.413 53.050 -0.212 0.000 0.900 324 N CB -0.353 38.039 38.487 -0.159 0.000 0.961 324 N HN 0.549 nan 8.380 nan 0.000 0.443 325 I N -0.668 119.865 120.570 -0.062 0.000 2.867 325 I HA -0.001 4.170 4.170 0.001 0.000 0.265 325 I C 2.505 178.664 176.117 0.069 0.000 1.162 325 I CA 0.513 61.822 61.300 0.015 0.000 1.471 325 I CB -0.251 37.688 38.000 -0.101 0.000 1.123 325 I HN 0.146 nan 8.210 nan 0.000 0.440 326 I N 0.759 121.348 120.570 0.033 0.000 2.163 326 I HA -0.142 4.028 4.170 0.001 0.000 0.240 326 I C 2.893 179.019 176.117 0.016 0.000 1.081 326 I CA 2.107 63.453 61.300 0.077 0.000 1.353 326 I CB -1.575 36.465 38.000 0.066 0.000 1.054 326 I HN 0.270 nan 8.210 nan 0.000 0.407 327 A N -0.082 122.665 122.820 -0.121 0.000 1.896 327 A HA -0.211 4.110 4.320 0.001 0.000 0.220 327 A C 2.544 180.093 177.584 -0.059 0.000 1.206 327 A CA 2.674 54.597 52.037 -0.191 0.000 0.647 327 A CB -1.387 17.412 19.000 -0.335 0.000 0.828 327 A HN 0.755 nan 8.150 nan 0.000 0.455 328 V N -1.530 118.423 119.914 0.065 0.000 2.358 328 V HA -0.237 3.883 4.120 0.001 0.000 0.246 328 V C 2.378 178.621 176.094 0.249 0.000 1.047 328 V CA 2.027 64.433 62.300 0.177 0.000 1.035 328 V CB -0.980 31.030 31.823 0.311 0.000 0.658 328 V HN 0.708 nan 8.190 nan 0.000 0.452 329 Y N 1.479 121.892 120.300 0.189 0.000 2.224 329 Y HA -0.183 4.368 4.550 0.001 0.000 0.289 329 Y C 2.657 178.560 175.900 0.006 0.000 1.146 329 Y CA 1.398 59.605 58.100 0.179 0.000 1.182 329 Y CB -0.415 38.083 38.460 0.063 0.000 0.983 329 Y HN 0.087 nan 8.280 nan 0.000 0.524 330 R N 0.046 120.418 120.500 -0.214 0.000 2.094 330 R HA -0.158 4.183 4.340 0.001 0.000 0.239 330 R C 2.420 178.524 176.300 -0.327 0.000 1.137 330 R CA 1.637 57.523 56.100 -0.356 0.000 0.943 330 R CB -1.416 28.705 30.300 -0.299 0.000 0.850 330 R HN 0.357 nan 8.270 nan 0.000 0.433 331 V N 1.945 121.722 119.914 -0.227 0.000 2.252 331 V HA -0.266 3.855 4.120 0.001 0.000 0.249 331 V C 2.642 178.563 176.094 -0.288 0.000 1.056 331 V CA 1.831 63.988 62.300 -0.238 0.000 1.022 331 V CB -0.667 31.123 31.823 -0.055 0.000 0.641 331 V HN 0.234 nan 8.190 nan 0.000 0.445 332 L N -0.523 120.593 121.223 -0.177 0.000 2.021 332 L HA -0.323 4.017 4.340 0.001 0.000 0.215 332 L C 2.787 179.548 176.870 -0.182 0.000 1.074 332 L CA 2.003 56.754 54.840 -0.149 0.000 0.760 332 L CB -0.691 41.307 42.059 -0.102 0.000 0.889 332 L HN 0.436 nan 8.230 nan 0.000 0.433 333 Q N -0.284 119.334 119.800 -0.303 0.000 2.124 333 Q HA -0.197 4.143 4.340 0.001 0.000 0.202 333 Q C 2.285 178.149 176.000 -0.227 0.000 0.977 333 Q CA 1.438 57.056 55.803 -0.309 0.000 0.850 333 Q CB -0.109 28.329 28.738 -0.499 0.000 0.901 333 Q HN 0.574 nan 8.270 nan 0.000 0.429 334 I N 0.573 120.985 120.570 -0.263 0.000 2.315 334 I HA -0.235 3.935 4.170 0.001 0.000 0.248 334 I C 1.983 177.994 176.117 -0.176 0.000 1.117 334 I CA 1.085 62.258 61.300 -0.211 0.000 1.404 334 I CB -0.205 37.650 38.000 -0.242 0.000 1.071 334 I HN 0.167 nan 8.210 nan 0.000 0.419 335 D N 1.104 121.366 120.400 -0.230 0.000 2.144 335 D HA -0.131 4.510 4.640 0.001 0.000 0.200 335 D C 2.199 178.489 176.300 -0.017 0.000 0.978 335 D CA 1.333 55.322 54.000 -0.019 0.000 0.833 335 D CB 0.102 40.961 40.800 0.098 0.000 0.961 335 D HN 0.263 nan 8.370 nan 0.000 0.470 336 A N 0.544 123.335 122.820 -0.049 0.000 1.940 336 A HA -0.234 4.087 4.320 0.001 0.000 0.219 336 A C 2.156 179.713 177.584 -0.044 0.000 1.176 336 A CA 1.984 54.004 52.037 -0.029 0.000 0.631 336 A CB -0.608 18.374 19.000 -0.030 0.000 0.814 336 A HN 0.305 nan 8.150 nan 0.000 0.446 337 K N -1.673 118.684 120.400 -0.073 0.000 2.137 337 K HA -0.030 4.290 4.320 0.001 0.000 0.202 337 K C 2.091 178.628 176.600 -0.106 0.000 1.052 337 K CA 0.562 56.805 56.287 -0.074 0.000 0.961 337 K CB -0.026 32.429 32.500 -0.075 0.000 0.741 337 K HN 0.216 nan 8.250 nan 0.000 0.452 338 R N 0.276 120.667 120.500 -0.180 0.000 2.112 338 R HA 0.092 4.433 4.340 0.001 0.000 0.216 338 R C 0.307 176.377 176.300 -0.383 0.000 1.080 338 R CA 0.420 56.267 56.100 -0.421 0.000 0.996 338 R CB 0.019 29.785 30.300 -0.891 0.000 0.902 338 R HN 0.293 nan 8.270 nan 0.000 0.449 339 Q N -0.512 119.192 119.800 -0.160 0.000 2.502 339 Q HA -0.170 4.171 4.340 0.001 0.000 0.273 339 Q C 0.373 176.435 176.000 0.103 0.000 1.127 339 Q CA 0.585 56.380 55.803 -0.014 0.000 0.952 339 Q CB -1.981 26.742 28.738 -0.026 0.000 1.333 339 Q HN 0.205 nan 8.270 nan 0.000 0.494 340 F N -0.430 119.624 119.950 0.174 0.000 2.259 340 F HA -0.039 4.489 4.527 0.001 0.000 0.298 340 F C 2.275 178.057 175.800 -0.030 0.000 1.088 340 F CA 0.163 58.193 58.000 0.049 0.000 1.358 340 F CB -0.163 38.902 39.000 0.109 0.000 1.040 340 F HN 0.199 nan 8.300 nan 0.000 0.505 341 I N -0.116 120.607 120.570 0.254 0.000 2.252 341 I HA -0.264 3.906 4.170 0.001 0.000 0.245 341 I C 2.329 178.493 176.117 0.079 0.000 1.102 341 I CA 1.121 62.507 61.300 0.144 0.000 1.385 341 I CB -1.044 37.088 38.000 0.220 0.000 1.064 341 I HN 0.200 nan 8.210 nan 0.000 0.414 342 N N 0.940 119.696 118.700 0.092 0.000 2.244 342 N HA -0.156 4.585 4.740 0.001 0.000 0.183 342 N C 1.981 177.499 175.510 0.014 0.000 1.016 342 N CA 0.844 53.931 53.050 0.063 0.000 0.866 342 N CB 0.105 38.613 38.487 0.034 0.000 0.980 342 N HN 0.227 nan 8.380 nan 0.000 0.430 343 L N 0.927 122.130 121.223 -0.032 0.000 2.056 343 L HA -0.070 4.270 4.340 0.001 0.000 0.207 343 L C 2.296 179.040 176.870 -0.209 0.000 1.078 343 L CA 1.216 55.970 54.840 -0.144 0.000 0.749 343 L CB -0.484 41.425 42.059 -0.250 0.000 0.901 343 L HN -0.003 nan 8.230 nan 0.000 0.433 344 S N -0.298 115.283 115.700 -0.199 0.000 2.359 344 S HA -0.203 4.267 4.470 0.001 0.000 0.224 344 S C 1.877 176.330 174.600 -0.245 0.000 1.035 344 S CA 1.794 59.861 58.200 -0.222 0.000 1.018 344 S CB -0.517 62.567 63.200 -0.193 0.000 0.876 344 S HN 0.390 nan 8.310 nan 0.000 0.448 345 L N 1.064 122.156 121.223 -0.219 0.000 1.970 345 L HA -0.137 4.203 4.340 0.001 0.000 0.212 345 L C 1.452 178.078 176.870 -0.406 0.000 1.071 345 L CA 1.039 55.652 54.840 -0.378 0.000 0.751 345 L CB -0.770 41.175 42.059 -0.189 0.000 0.889 345 L HN 0.311 nan 8.230 nan 0.000 0.432 349 Y N 0.636 120.827 120.300 -0.183 0.000 2.293 349 Y HA 0.047 4.597 4.550 0.001 0.000 0.291 349 Y C 2.442 178.329 175.900 -0.022 0.000 1.137 349 Y CA 1.021 59.010 58.100 -0.185 0.000 1.202 349 Y CB -0.624 37.562 38.460 -0.457 0.000 0.990 349 Y HN 0.362 nan 8.280 nan 0.000 0.537 350 Y N 0.271 120.582 120.300 0.018 0.000 2.165 350 Y HA -0.215 4.336 4.550 0.001 0.000 0.286 350 Y C 2.243 178.140 175.900 -0.004 0.000 1.155 350 Y CA 1.529 59.630 58.100 0.001 0.000 1.164 350 Y CB -0.405 38.019 38.460 -0.059 0.000 0.978 350 Y HN 0.008 nan 8.280 nan 0.000 0.513 351 A N -0.431 122.351 122.820 -0.063 0.000 2.220 351 A HA 0.196 4.516 4.320 0.001 0.000 0.211 351 A C 0.680 178.240 177.584 -0.040 0.000 1.176 351 A CA 0.272 52.215 52.037 -0.158 0.000 0.834 351 A CB -0.236 18.716 19.000 -0.080 0.000 0.868 351 A HN 0.370 nan 8.150 nan 0.000 0.488 352 K N -0.251 120.183 120.400 0.055 0.000 3.898 352 K HA -0.141 4.179 4.320 0.001 0.000 0.282 352 K C -0.596 176.036 176.600 0.053 0.000 1.014 352 K CA 0.990 57.353 56.287 0.126 0.000 0.848 352 K CB -2.063 30.474 32.500 0.062 0.000 1.469 352 K HN 0.794 nan 8.250 nan 0.000 0.446 353 I N -3.320 117.291 120.570 0.069 0.000 3.191 353 I HA 0.315 4.485 4.170 0.001 0.000 0.313 353 I C -0.206 175.919 176.117 0.012 0.000 1.193 353 I CA -1.593 59.706 61.300 -0.000 0.000 0.968 353 I CB 1.629 39.625 38.000 -0.007 0.000 1.262 353 I HN -0.010 nan 8.210 nan 0.000 0.456 354 Q N 1.936 121.722 119.800 -0.024 0.000 2.311 354 Q HA 0.208 4.549 4.340 0.001 0.000 0.272 354 Q C 0.914 176.887 176.000 -0.046 0.000 1.012 354 Q CA -0.457 55.346 55.803 -0.000 0.000 0.891 354 Q CB 1.257 29.979 28.738 -0.027 0.000 1.201 354 Q HN 0.495 nan 8.270 nan 0.000 0.391 355 I N 2.068 122.589 120.570 -0.081 0.000 2.185 355 I HA -0.353 3.818 4.170 0.001 0.000 0.246 355 I C 1.853 177.878 176.117 -0.154 0.000 1.088 355 I CA 1.655 62.849 61.300 -0.177 0.000 1.347 355 I CB -1.175 36.696 38.000 -0.214 0.000 1.041 355 I HN 0.703 nan 8.210 nan 0.000 0.415 356 Q N 0.673 120.420 119.800 -0.088 0.000 2.217 356 Q HA -0.156 4.184 4.340 0.001 0.000 0.209 356 Q C 2.187 178.165 176.000 -0.036 0.000 0.988 356 Q CA 1.663 57.441 55.803 -0.042 0.000 0.878 356 Q CB -0.786 27.960 28.738 0.014 0.000 0.909 356 Q HN 0.363 nan 8.270 nan 0.000 0.424 357 S N 0.164 115.832 115.700 -0.054 0.000 2.595 357 S HA -0.061 4.409 4.470 0.001 0.000 0.235 357 S C 1.757 176.324 174.600 -0.055 0.000 0.974 357 S CA 0.733 58.914 58.200 -0.031 0.000 0.942 357 S CB -0.359 62.824 63.200 -0.029 0.000 0.766 357 S HN 0.496 nan 8.310 nan 0.000 0.536 358 V N -1.514 118.306 119.914 -0.157 0.000 2.626 358 V HA -0.059 4.062 4.120 0.001 0.000 0.252 358 V C 1.590 177.603 176.094 -0.134 0.000 1.067 358 V CA 1.411 63.612 62.300 -0.167 0.000 1.081 358 V CB -1.274 30.402 31.823 -0.245 0.000 0.686 358 V HN 0.486 nan 8.190 nan 0.000 0.468 359 F N 1.435 121.342 119.950 -0.071 0.000 2.365 359 F HA 0.050 4.577 4.527 0.001 0.000 0.300 359 F C 1.891 177.624 175.800 -0.112 0.000 1.090 359 F CA 1.262 59.173 58.000 -0.148 0.000 1.408 359 F CB 0.011 38.901 39.000 -0.184 0.000 1.060 359 F HN 0.265 nan 8.300 nan 0.000 0.534 360 S N 0.384 116.140 115.700 0.093 0.000 2.423 360 S HA 0.248 4.718 4.470 0.001 0.000 0.317 360 S C -1.719 172.918 174.600 0.062 0.000 1.065 360 S CA -1.779 56.452 58.200 0.052 0.000 1.111 360 S CB 0.838 64.055 63.200 0.027 0.000 0.968 360 S HN -0.184 nan 8.310 nan 0.000 0.474 361 P HA -0.130 nan 4.420 nan 0.000 0.216 361 P C 1.290 178.687 177.300 0.162 0.000 1.153 361 P CA 1.222 64.399 63.100 0.128 0.000 0.858 361 P CB 0.083 31.852 31.700 0.115 0.000 0.789 362 I N -0.959 119.667 120.570 0.094 0.000 2.142 362 I HA -0.253 3.918 4.170 0.001 0.000 0.240 362 I C 2.374 178.653 176.117 0.269 0.000 1.078 362 I CA 1.449 62.833 61.300 0.141 0.000 1.343 362 I CB -0.580 37.526 38.000 0.177 0.000 1.046 362 I HN -0.095 nan 8.210 nan 0.000 0.405 363 K N 0.539 121.038 120.400 0.165 0.000 2.103 363 K HA -0.148 4.172 4.320 0.001 0.000 0.207 363 K C 2.106 178.789 176.600 0.138 0.000 1.048 363 K CA 1.667 58.033 56.287 0.132 0.000 0.930 363 K CB -0.444 32.089 32.500 0.054 0.000 0.716 363 K HN 0.344 nan 8.250 nan 0.000 0.444 364 T N -0.514 114.105 114.554 0.108 0.000 2.701 364 T HA -0.144 4.206 4.350 0.001 0.000 0.263 364 T C 1.660 176.382 174.700 0.036 0.000 1.040 364 T CA 1.385 63.499 62.100 0.023 0.000 1.147 364 T CB -0.296 68.536 68.868 -0.061 0.000 0.865 364 T HN 0.380 nan 8.240 nan 0.000 0.426 365 W N 1.376 122.775 121.300 0.164 0.000 2.381 365 W HA -0.051 4.609 4.660 0.001 0.000 0.301 365 W C 2.374 179.122 176.519 0.382 0.000 1.205 365 W CA 0.841 58.334 57.345 0.247 0.000 1.285 365 W CB -0.350 29.225 29.460 0.192 0.000 1.133 365 W HN 0.279 nan 8.180 nan 0.000 0.521 366 D N -0.105 120.721 120.400 0.710 0.000 2.104 366 D HA -0.219 4.421 4.640 0.001 0.000 0.194 366 D C 2.153 178.690 176.300 0.395 0.000 0.994 366 D CA 2.218 56.553 54.000 0.560 0.000 0.830 366 D CB -0.515 40.520 40.800 0.392 0.000 0.959 366 D HN 0.010 nan 8.370 nan 0.000 0.452 367 A N 0.265 123.255 122.820 0.283 0.000 1.858 367 A HA -0.138 4.182 4.320 0.001 0.000 0.216 367 A C 2.535 180.255 177.584 0.228 0.000 1.190 367 A CA 1.557 53.747 52.037 0.255 0.000 0.617 367 A CB -0.902 18.180 19.000 0.137 0.000 0.827 367 A HN 0.384 nan 8.150 nan 0.000 0.443 368 I N -0.183 120.458 120.570 0.118 0.000 2.091 368 I HA -0.313 3.857 4.170 0.001 0.000 0.239 368 I C 2.398 178.581 176.117 0.110 0.000 1.061 368 I CA 1.819 63.120 61.300 0.003 0.000 1.317 368 I CB -0.515 37.413 38.000 -0.120 0.000 1.031 368 I HN 0.320 nan 8.210 nan 0.000 0.401 369 I N 0.252 120.978 120.570 0.260 0.000 2.208 369 I HA -0.349 3.822 4.170 0.001 0.000 0.245 369 I C 2.578 178.832 176.117 0.228 0.000 1.097 369 I CA 1.702 63.136 61.300 0.224 0.000 1.363 369 I CB -0.533 37.595 38.000 0.213 0.000 1.051 369 I HN 0.214 nan 8.210 nan 0.000 0.413 370 F N 2.349 122.389 119.950 0.150 0.000 2.015 370 F HA -0.363 4.164 4.527 0.001 0.000 0.297 370 F C 2.585 178.426 175.800 0.068 0.000 1.141 370 F CA 1.934 60.003 58.000 0.115 0.000 1.192 370 F CB -0.368 38.696 39.000 0.105 0.000 0.957 370 F HN 0.076 nan 8.300 nan 0.000 0.491 371 N N 0.188 118.702 118.700 -0.310 0.000 2.137 371 N HA -0.242 4.499 4.740 0.001 0.000 0.190 371 N C 2.048 177.418 175.510 -0.233 0.000 1.017 371 N CA 1.605 54.398 53.050 -0.428 0.000 0.859 371 N CB -0.600 37.756 38.487 -0.220 0.000 1.002 371 N HN 0.371 nan 8.380 nan 0.000 0.428 372 S N 0.694 116.331 115.700 -0.105 0.000 2.382 372 S HA -0.001 4.469 4.470 0.001 0.000 0.228 372 S C 2.026 176.596 174.600 -0.050 0.000 1.027 372 S CA 0.654 58.822 58.200 -0.054 0.000 0.991 372 S CB -0.021 63.179 63.200 -0.001 0.000 0.823 372 S HN 0.221 nan 8.310 nan 0.000 0.469 373 L N 0.662 121.857 121.223 -0.047 0.000 2.102 373 L HA 0.055 4.396 4.340 0.001 0.000 0.202 373 L C 2.699 179.539 176.870 -0.050 0.000 1.076 373 L CA 1.075 55.904 54.840 -0.019 0.000 0.761 373 L CB -0.681 41.404 42.059 0.043 0.000 0.921 373 L HN 0.271 nan 8.230 nan 0.000 0.444 374 K N 1.129 121.435 120.400 -0.158 0.000 2.097 374 K HA -0.283 4.038 4.320 0.001 0.000 0.214 374 K C 1.901 178.472 176.600 -0.049 0.000 1.052 374 K CA 2.577 58.774 56.287 -0.150 0.000 0.932 374 K CB -0.121 32.148 32.500 -0.385 0.000 0.716 374 K HN 0.533 nan 8.250 nan 0.000 0.455 375 E N -0.128 120.031 120.200 -0.069 0.000 2.333 375 E HA -0.211 4.140 4.350 0.001 0.000 0.198 375 E C 0.993 177.597 176.600 0.008 0.000 1.007 375 E CA 1.087 57.475 56.400 -0.021 0.000 0.845 375 E CB -0.067 29.617 29.700 -0.027 0.000 0.766 375 E HN 0.471 nan 8.360 nan 0.000 0.507 376 Q N 0.301 120.107 119.800 0.010 0.000 2.188 376 Q HA 0.179 4.520 4.340 0.001 0.000 0.212 376 Q C -0.319 175.715 176.000 0.058 0.000 0.846 376 Q CA -0.260 55.556 55.803 0.022 0.000 0.989 376 Q CB 0.338 29.081 28.738 0.009 0.000 1.114 376 Q HN 0.201 nan 8.270 nan 0.000 0.488 377 N N 1.135 119.887 118.700 0.087 0.000 2.708 377 N HA -0.153 4.588 4.740 0.001 0.000 0.251 377 N C -0.620 175.006 175.510 0.193 0.000 1.123 377 N CA 1.126 54.281 53.050 0.174 0.000 0.739 377 N CB -0.527 38.035 38.487 0.125 0.000 1.113 377 N HN 0.300 nan 8.380 nan 0.000 0.561 378 K N 0.553 121.017 120.400 0.106 0.000 2.126 378 K HA 0.478 4.798 4.320 0.001 0.000 0.257 378 K C 0.331 176.931 176.600 -0.001 0.000 1.007 378 K CA -0.404 55.936 56.287 0.087 0.000 0.928 378 K CB 1.543 34.077 32.500 0.056 0.000 1.013 378 K HN -0.149 nan 8.250 nan 0.000 0.473 379 V N 3.559 123.450 119.914 -0.039 0.000 2.444 379 V HA 0.162 4.283 4.120 0.001 0.000 0.294 379 V C 0.188 176.266 176.094 -0.027 0.000 1.022 379 V CA -1.008 61.174 62.300 -0.197 0.000 0.850 379 V CB 1.578 33.120 31.823 -0.468 0.000 0.992 379 V HN 0.556 nan 8.190 nan 0.000 0.426 380 I N 6.826 127.416 120.570 0.034 0.000 2.845 380 I HA 0.073 4.243 4.170 0.001 0.000 0.296 380 I C -2.015 174.131 176.117 0.048 0.000 1.216 380 I CA -1.596 59.762 61.300 0.097 0.000 1.438 380 I CB 0.294 38.355 38.000 0.102 0.000 1.342 380 I HN 0.417 nan 8.210 nan 0.000 0.577 381 P HA 0.093 nan 4.420 nan 0.000 0.274 381 P C -0.314 176.965 177.300 -0.035 0.000 1.231 381 P CA -0.452 62.665 63.100 0.028 0.000 0.790 381 P CB 0.525 32.219 31.700 -0.010 0.000 0.951 382 Q N 1.376 121.176 119.800 0.000 0.000 2.392 382 Q HA 0.198 4.539 4.340 0.001 0.000 0.262 382 Q C 0.314 176.270 176.000 -0.074 0.000 1.003 382 Q CA -0.148 55.636 55.803 -0.031 0.000 0.888 382 Q CB 0.337 29.061 28.738 -0.023 0.000 1.260 382 Q HN 0.619 nan 8.270 nan 0.000 0.435 383 G N 3.697 112.444 108.800 -0.088 0.000 2.428 383 G HA2 0.176 4.137 3.960 0.001 0.000 0.293 383 G HA3 0.176 4.137 3.960 0.001 0.000 0.293 383 G C -0.321 174.522 174.900 -0.094 0.000 1.059 383 G CA -0.298 44.747 45.100 -0.092 0.000 1.194 383 G HN 0.459 nan 8.290 nan 0.000 0.435 384 R N 0.996 121.432 120.500 -0.107 0.000 2.528 384 R HA 0.557 4.898 4.340 0.001 0.000 0.271 384 R C 0.487 176.511 176.300 -0.459 0.000 1.056 384 R CA -0.309 55.637 56.100 -0.256 0.000 1.117 384 R CB 1.277 31.409 30.300 -0.281 0.000 1.085 384 R HN 0.458 nan 8.270 nan 0.000 0.530 385 S N 0.619 115.963 115.700 -0.593 0.000 2.451 385 S HA 0.490 4.960 4.470 0.001 0.000 0.301 385 S C -1.252 172.854 174.600 -0.824 0.000 1.116 385 S CA -0.716 57.119 58.200 -0.610 0.000 1.093 385 S CB 0.242 63.215 63.200 -0.378 0.000 1.017 385 S HN 0.580 nan 8.310 nan 0.000 0.482 386 H N 2.528 121.342 119.070 -0.427 0.000 2.797 386 H HA 0.615 5.171 4.556 0.001 0.000 0.372 386 H C -2.373 172.738 175.328 -0.361 0.000 1.168 386 H CA -1.684 54.154 56.048 -0.350 0.000 1.163 386 H CB 0.555 30.076 29.762 -0.401 0.000 1.778 386 H HN 0.477 nan 8.280 nan 0.000 0.551 387 P HA 0.092 nan 4.420 nan 0.000 0.284 387 P C -0.464 176.781 177.300 -0.091 0.000 1.253 387 P CA -0.552 62.487 63.100 -0.102 0.000 0.800 387 P CB 1.230 32.901 31.700 -0.048 0.000 0.961 388 V N 4.391 124.254 119.914 -0.085 0.000 2.393 388 V HA -0.020 4.101 4.120 0.001 0.000 0.257 388 V C 0.749 176.860 176.094 0.029 0.000 1.040 388 V CA 0.531 62.808 62.300 -0.038 0.000 1.097 388 V CB -0.983 30.834 31.823 -0.009 0.000 1.101 388 V HN 0.487 nan 8.190 nan 0.000 0.479 389 Q N 5.618 125.458 119.800 0.067 0.000 2.347 389 Q HA 0.426 4.766 4.340 0.001 0.000 0.262 389 Q C -2.255 173.859 176.000 0.190 0.000 0.980 389 Q CA -1.897 53.971 55.803 0.107 0.000 0.867 389 Q CB 1.882 30.678 28.738 0.097 0.000 1.242 389 Q HN 0.468 nan 8.270 nan 0.000 0.453 390 P HA 0.095 nan 4.420 nan 0.000 0.271 390 P C -1.118 176.385 177.300 0.337 0.000 1.218 390 P CA 0.104 63.354 63.100 0.249 0.000 0.780 390 P CB 0.303 32.084 31.700 0.136 0.000 0.901 391 Y N 0.091 120.435 120.300 0.073 0.000 2.644 391 Y HA 0.732 5.283 4.550 0.001 0.000 0.338 391 Y C -2.770 173.178 175.900 0.081 0.000 1.119 391 Y CA -3.442 54.698 58.100 0.066 0.000 1.060 391 Y CB -0.954 37.539 38.460 0.055 0.000 1.294 391 Y HN 0.229 nan 8.280 nan 0.000 0.472 392 P HA 0.422 nan 4.420 nan 0.000 0.272 392 P C -0.194 177.025 177.300 -0.135 0.000 1.223 392 P CA 0.116 63.194 63.100 -0.038 0.000 0.784 392 P CB 1.495 33.230 31.700 0.059 0.000 0.923 393 G N -0.040 108.723 108.800 -0.061 0.000 3.008 393 G HA2 0.593 4.553 3.960 0.001 0.000 0.181 393 G HA3 0.593 4.553 3.960 0.001 0.000 0.181 393 G C -0.473 174.480 174.900 0.088 0.000 1.309 393 G CA -0.302 44.788 45.100 -0.016 0.000 1.009 393 G HN 0.728 nan 8.290 nan 0.000 0.584 394 A N -1.036 121.859 122.820 0.125 0.000 2.346 394 A HA 0.542 4.863 4.320 0.001 0.000 0.255 394 A C -0.647 177.043 177.584 0.177 0.000 1.113 394 A CA -0.162 51.979 52.037 0.173 0.000 0.798 394 A CB 0.181 19.259 19.000 0.131 0.000 1.073 394 A HN 0.912 nan 8.150 nan 0.000 0.502 395 F N 0.204 120.196 119.950 0.070 0.000 2.425 395 F HA 0.611 5.138 4.527 0.001 0.000 0.331 395 F C -0.658 175.156 175.800 0.023 0.000 1.085 395 F CA -0.826 57.206 58.000 0.053 0.000 1.028 395 F CB 1.644 40.680 39.000 0.060 0.000 1.177 395 F HN 0.244 nan 8.300 nan 0.000 0.487 396 V N 6.062 125.240 119.914 -1.226 0.000 2.532 396 V HA 0.239 4.359 4.120 0.001 0.000 0.294 396 V C -0.315 175.081 176.094 -1.164 0.000 1.036 396 V CA -1.209 60.502 62.300 -0.982 0.000 0.876 396 V CB 1.374 32.986 31.823 -0.352 0.000 1.012 396 V HN 0.852 nan 8.190 nan 0.000 0.432 397 K N 2.699 122.445 120.400 -1.090 0.000 2.336 397 K HA 0.202 4.523 4.320 0.001 0.000 0.262 397 K C 0.027 176.585 176.600 -0.070 0.000 0.992 397 K CA -0.137 55.922 56.287 -0.379 0.000 0.927 397 K CB 0.767 33.219 32.500 -0.079 0.000 0.956 397 K HN 0.723 nan 8.250 nan 0.000 0.495 398 E N 4.364 124.608 120.200 0.072 0.000 2.055 398 E HA 0.240 4.590 4.350 0.001 0.000 0.274 398 E C -2.315 174.378 176.600 0.155 0.000 0.949 398 E CA -2.420 54.061 56.400 0.134 0.000 0.775 398 E CB 0.778 30.544 29.700 0.109 0.000 1.097 398 E HN 0.320 nan 8.360 nan 0.000 0.404 399 P HA 0.159 nan 4.420 nan 0.000 0.274 399 P C -0.336 177.027 177.300 0.104 0.000 1.231 399 P CA -0.228 62.916 63.100 0.074 0.000 0.790 399 P CB 0.952 32.576 31.700 -0.127 0.000 0.951 400 I N 3.693 124.338 120.570 0.123 0.000 2.337 400 I HA 0.161 4.331 4.170 0.001 0.000 0.291 400 I C -1.917 174.351 176.117 0.251 0.000 1.046 400 I CA -2.326 59.075 61.300 0.167 0.000 1.324 400 I CB 0.577 38.671 38.000 0.157 0.000 1.409 400 I HN 0.152 nan 8.210 nan 0.000 0.494 401 P HA 0.050 nan 4.420 nan 0.000 0.264 401 P C -0.615 176.834 177.300 0.247 0.000 1.183 401 P CA 0.295 63.547 63.100 0.254 0.000 0.763 401 P CB 0.371 32.171 31.700 0.167 0.000 0.807 402 N N -0.274 118.625 118.700 0.331 0.000 4.387 402 N HA 0.050 4.791 4.740 0.001 0.000 0.221 402 N C -1.245 174.405 175.510 0.233 0.000 1.261 402 N CA -0.875 52.261 53.050 0.144 0.000 0.772 402 N CB 0.662 39.068 38.487 -0.135 0.000 1.524 402 N HN 0.303 nan 8.380 nan 0.000 0.440 403 R N 0.345 120.859 120.500 0.024 0.000 2.528 403 R HA 0.455 4.795 4.340 0.001 0.000 0.271 403 R C -1.402 174.838 176.300 -0.099 0.000 1.056 403 R CA -0.121 56.063 56.100 0.139 0.000 1.117 403 R CB 0.600 30.938 30.300 0.062 0.000 1.085 403 R HN 0.469 nan 8.270 nan 0.000 0.530 404 Y N 0.375 120.785 120.300 0.184 0.000 2.317 404 Y HA 0.206 4.757 4.550 0.001 0.000 0.329 404 Y C 0.744 176.703 175.900 0.097 0.000 1.101 404 Y CA -0.805 57.383 58.100 0.147 0.000 1.228 404 Y CB 1.967 40.559 38.460 0.220 0.000 1.123 404 Y HN 0.760 nan 8.280 nan 0.000 0.457 405 K N 2.108 122.565 120.400 0.094 0.000 1.978 405 K HA -0.079 4.241 4.320 0.001 0.000 0.214 405 K C -0.603 175.855 176.600 -0.237 0.000 1.049 405 K CA 1.672 57.894 56.287 -0.109 0.000 0.939 405 K CB 0.073 32.471 32.500 -0.170 0.000 0.721 405 K HN 0.563 nan 8.250 nan 0.000 0.441 406 Y N 0.010 120.348 120.300 0.064 0.000 2.328 406 Y HA 0.373 4.923 4.550 0.001 0.000 0.337 406 Y C -0.385 175.611 175.900 0.159 0.000 0.966 406 Y CA -1.045 57.081 58.100 0.045 0.000 1.136 406 Y CB 1.817 40.207 38.460 -0.117 0.000 1.170 406 Y HN -0.225 nan 8.280 nan 0.000 0.470 410 F N 0.523 120.377 119.950 -0.159 0.000 2.569 410 F HA 0.688 5.215 4.527 0.001 0.000 0.312 410 F C -0.458 175.319 175.800 -0.039 0.000 1.109 410 F CA -0.375 57.598 58.000 -0.046 0.000 0.919 410 F CB 2.194 41.201 39.000 0.011 0.000 1.211 410 F HN 0.607 nan 8.300 nan 0.000 0.446 411 D N 1.885 122.390 120.400 0.175 0.000 2.457 411 D HA 0.520 5.161 4.640 0.001 0.000 0.240 411 D C -0.897 175.492 176.300 0.149 0.000 1.041 411 D CA -0.367 53.711 54.000 0.129 0.000 0.861 411 D CB 2.197 43.044 40.800 0.079 0.000 1.394 411 D HN 0.327 nan 8.370 nan 0.000 0.473 412 L N 1.874 123.170 121.223 0.121 0.000 2.290 412 L HA 0.280 4.621 4.340 0.001 0.000 0.284 412 L C 0.726 177.632 176.870 0.059 0.000 1.078 412 L CA -0.553 54.340 54.840 0.087 0.000 0.815 412 L CB 0.734 42.820 42.059 0.046 0.000 1.162 412 L HN 0.511 nan 8.230 nan 0.000 0.435 413 T N -0.392 114.207 114.554 0.076 0.000 2.928 413 T HA 0.018 4.368 4.350 0.001 0.000 0.305 413 T C 0.830 175.570 174.700 0.066 0.000 1.035 413 T CA -0.603 61.549 62.100 0.086 0.000 1.145 413 T CB 0.641 69.601 68.868 0.154 0.000 0.963 413 T HN 0.661 nan 8.240 nan 0.000 0.545 414 S N 2.325 118.072 115.700 0.078 0.000 3.252 414 S HA -0.165 4.305 4.470 0.001 0.000 0.349 414 S C 1.165 175.801 174.600 0.060 0.000 0.899 414 S CA 0.348 58.609 58.200 0.101 0.000 1.273 414 S CB -1.655 61.716 63.200 0.286 0.000 0.868 414 S HN 0.872 nan 8.310 nan 0.000 0.472 415 L N 1.461 122.686 121.223 0.004 0.000 2.013 415 L HA -0.280 4.060 4.340 0.001 0.000 0.239 415 L C 1.848 178.792 176.870 0.124 0.000 1.100 415 L CA 2.429 57.284 54.840 0.026 0.000 0.826 415 L CB -1.236 40.834 42.059 0.019 0.000 0.921 415 L HN 0.673 nan 8.230 nan 0.000 0.445 416 Y N -0.344 119.884 120.300 -0.120 0.000 2.040 416 Y HA -0.286 4.264 4.550 0.001 0.000 0.275 416 Y C 0.262 176.076 175.900 -0.144 0.000 1.171 416 Y CA 1.195 59.192 58.100 -0.172 0.000 1.123 416 Y CB -1.916 36.402 38.460 -0.237 0.000 0.963 416 Y HN 0.331 nan 8.280 nan 0.000 0.493 417 P HA -0.175 nan 4.420 nan 0.000 0.217 417 P C 1.490 178.708 177.300 -0.136 0.000 1.151 417 P CA 2.266 65.396 63.100 0.050 0.000 0.849 417 P CB -0.020 31.829 31.700 0.249 0.000 0.787 418 S N -1.144 114.462 115.700 -0.156 0.000 2.387 418 S HA -0.059 4.411 4.470 0.001 0.000 0.226 418 S C 1.873 176.246 174.600 -0.378 0.000 1.026 418 S CA 0.864 58.865 58.200 -0.333 0.000 0.972 418 S CB -0.939 62.064 63.200 -0.328 0.000 0.814 418 S HN 0.130 nan 8.310 nan 0.000 0.477 419 I N 1.505 121.871 120.570 -0.340 0.000 2.226 419 I HA -0.189 3.982 4.170 0.001 0.000 0.245 419 I C 2.048 177.834 176.117 -0.552 0.000 1.100 419 I CA 1.220 62.194 61.300 -0.544 0.000 1.374 419 I CB -0.393 37.306 38.000 -0.502 0.000 1.057 419 I HN 0.247 nan 8.210 nan 0.000 0.413 420 I N 0.445 120.778 120.570 -0.395 0.000 2.208 420 I HA -0.316 3.855 4.170 0.001 0.000 0.245 420 I C 2.692 178.594 176.117 -0.358 0.000 1.097 420 I CA 1.538 62.621 61.300 -0.362 0.000 1.363 420 I CB -0.363 37.490 38.000 -0.245 0.000 1.051 420 I HN 0.202 nan 8.210 nan 0.000 0.413 421 R N -0.117 120.177 120.500 -0.344 0.000 2.090 421 R HA -0.120 4.221 4.340 0.001 0.000 0.228 421 R C 2.330 178.442 176.300 -0.312 0.000 1.110 421 R CA 0.846 56.757 56.100 -0.315 0.000 0.973 421 R CB -0.250 29.836 30.300 -0.356 0.000 0.869 421 R HN 0.428 nan 8.270 nan 0.000 0.440 422 Q N 0.328 119.901 119.800 -0.378 0.000 2.046 422 Q HA -0.095 4.245 4.340 0.001 0.000 0.200 422 Q C 1.813 177.620 176.000 -0.322 0.000 0.975 422 Q CA 1.429 57.026 55.803 -0.344 0.000 0.836 422 Q CB 0.297 28.789 28.738 -0.410 0.000 0.896 422 Q HN 0.196 nan 8.270 nan 0.000 0.428 423 V N 0.767 120.403 119.914 -0.464 0.000 3.608 423 V HA -0.047 4.073 4.120 0.001 0.000 0.269 423 V C 0.687 176.547 176.094 -0.390 0.000 1.245 423 V CA 0.605 62.643 62.300 -0.436 0.000 1.138 423 V CB -0.789 30.640 31.823 -0.656 0.000 0.841 423 V HN 0.570 nan 8.190 nan 0.000 0.451 424 N N 0.406 118.902 118.700 -0.340 0.000 2.735 424 N HA -0.201 4.539 4.740 0.001 0.000 0.248 424 N C -0.096 175.220 175.510 -0.324 0.000 1.083 424 N CA -0.220 52.687 53.050 -0.237 0.000 0.703 424 N CB -0.690 37.745 38.487 -0.087 0.000 1.005 424 N HN 0.510 nan 8.380 nan 0.000 0.550 425 I N 0.638 120.859 120.570 -0.582 0.000 2.618 425 I HA 0.124 4.294 4.170 0.001 0.000 0.284 425 I C 0.781 176.758 176.117 -0.232 0.000 1.146 425 I CA 0.540 61.400 61.300 -0.733 0.000 1.425 425 I CB 1.283 38.827 38.000 -0.760 0.000 1.383 425 I HN 0.138 nan 8.210 nan 0.000 0.562 426 S N 6.598 122.308 115.700 0.016 0.000 2.595 426 S HA 0.389 4.860 4.470 0.001 0.000 0.270 426 S C -2.141 172.517 174.600 0.096 0.000 1.145 426 S CA -0.785 57.421 58.200 0.011 0.000 0.825 426 S CB 1.949 65.130 63.200 -0.031 0.000 1.107 426 S HN 0.418 nan 8.310 nan 0.000 0.461 427 P HA 0.017 nan 4.420 nan 0.000 0.225 427 P C 0.313 177.681 177.300 0.113 0.000 1.156 427 P CA 0.986 64.139 63.100 0.087 0.000 0.787 427 P CB -0.007 31.754 31.700 0.102 0.000 0.802 428 E N -0.381 119.780 120.200 -0.065 0.000 2.472 428 E HA -0.001 4.349 4.350 0.001 0.000 0.196 428 E C 1.434 178.094 176.600 0.101 0.000 1.033 428 E CA 0.665 56.999 56.400 -0.110 0.000 0.886 428 E CB -1.296 28.095 29.700 -0.515 0.000 0.944 428 E HN 0.217 nan 8.360 nan 0.000 0.492 429 T N -1.176 113.460 114.554 0.136 0.000 3.086 429 T HA 0.247 4.598 4.350 0.001 0.000 0.250 429 T C 0.810 175.650 174.700 0.234 0.000 1.074 429 T CA -0.449 61.807 62.100 0.260 0.000 0.988 429 T CB -0.433 68.580 68.868 0.241 0.000 0.988 429 T HN 0.060 nan 8.240 nan 0.000 0.530 430 I N 2.916 123.510 120.570 0.041 0.000 2.907 430 I HA 0.166 4.336 4.170 0.001 0.000 0.285 430 I C 1.324 177.230 176.117 -0.351 0.000 1.189 430 I CA -0.439 60.652 61.300 -0.349 0.000 1.376 430 I CB -0.199 37.660 38.000 -0.235 0.000 1.420 430 I HN 0.356 nan 8.210 nan 0.000 0.544 431 A N 6.270 128.601 122.820 -0.815 0.000 3.176 431 A HA 0.694 5.014 4.320 0.001 0.000 0.182 431 A C 1.095 178.298 177.584 -0.635 0.000 2.036 431 A CA 0.349 51.655 52.037 -1.219 0.000 0.938 431 A CB -0.790 16.827 19.000 -2.306 0.000 1.909 431 A HN 0.648 nan 8.150 nan 0.000 0.760 432 G N -1.897 106.611 108.800 -0.487 0.000 2.529 432 G HA2 0.446 4.406 3.960 0.001 0.000 0.234 432 G HA3 0.446 4.406 3.960 0.001 0.000 0.234 432 G C 0.342 175.107 174.900 -0.225 0.000 1.527 432 G CA 1.135 46.114 45.100 -0.202 0.000 1.062 432 G HN 1.567 nan 8.290 nan 0.000 0.558 433 T N -3.531 110.948 114.554 -0.126 0.000 2.598 433 T HA 0.706 5.057 4.350 0.001 0.000 0.289 433 T C -0.798 173.867 174.700 -0.059 0.000 1.056 433 T CA -0.238 61.709 62.100 -0.254 0.000 1.088 433 T CB 1.441 70.132 68.868 -0.294 0.000 1.519 433 T HN 1.462 nan 8.240 nan 0.000 0.488 434 F N -3.018 116.915 119.950 -0.029 0.000 2.926 434 F HA 0.816 5.343 4.527 0.001 0.000 0.321 434 F C -0.692 175.115 175.800 0.012 0.000 1.168 434 F CA -1.381 56.617 58.000 -0.003 0.000 0.890 434 F CB 0.245 39.247 39.000 0.004 0.000 1.357 434 F HN 0.837 nan 8.300 nan 0.000 0.468 435 K N 0.940 121.581 120.400 0.403 0.000 2.339 435 K HA 0.652 4.972 4.320 0.001 0.000 0.286 435 K C -0.593 176.255 176.600 0.413 0.000 1.050 435 K CA -0.132 56.322 56.287 0.278 0.000 0.956 435 K CB 0.363 32.970 32.500 0.179 0.000 0.990 435 K HN 1.687 nan 8.250 nan 0.000 0.475 436 V N 0.233 120.337 119.914 0.315 0.000 2.394 436 V HA 0.841 4.962 4.120 0.001 0.000 0.282 436 V C 0.298 176.601 176.094 0.348 0.000 1.031 436 V CA -0.699 61.833 62.300 0.386 0.000 0.881 436 V CB 0.730 32.694 31.823 0.235 0.000 0.982 436 V HN 1.102 nan 8.190 nan 0.000 0.451 437 A N 6.175 129.296 122.820 0.502 0.000 2.293 437 A HA 0.858 5.178 4.320 0.001 0.000 0.302 437 A C -2.300 175.470 177.584 0.311 0.000 1.119 437 A CA -1.917 50.257 52.037 0.228 0.000 0.823 437 A CB 0.066 18.988 19.000 -0.130 0.000 1.097 437 A HN 0.850 nan 8.150 nan 0.000 0.491 438 P HA -0.066 nan 4.420 nan 0.000 0.264 438 P C 1.049 178.518 177.300 0.281 0.000 1.173 438 P CA 0.114 63.323 63.100 0.182 0.000 0.761 438 P CB 0.363 32.126 31.700 0.105 0.000 0.794 439 L N 2.063 123.456 121.223 0.283 0.000 2.089 439 L HA -0.322 4.019 4.340 0.001 0.000 0.213 439 L C 2.118 179.177 176.870 0.315 0.000 1.079 439 L CA 1.769 56.800 54.840 0.317 0.000 0.758 439 L CB -0.511 41.669 42.059 0.203 0.000 0.891 439 L HN 0.544 nan 8.230 nan 0.000 0.433 440 H N -0.230 118.903 119.070 0.105 0.000 2.289 440 H HA -0.234 4.323 4.556 0.001 0.000 0.296 440 H C 1.894 177.250 175.328 0.046 0.000 1.091 440 H CA 2.141 58.222 56.048 0.055 0.000 1.274 440 H CB -0.276 29.502 29.762 0.026 0.000 1.364 440 H HN 0.366 nan 8.280 nan 0.000 0.490 441 D N -1.010 119.457 120.400 0.112 0.000 2.133 441 D HA -0.184 4.457 4.640 0.001 0.000 0.195 441 D C 1.657 177.914 176.300 -0.072 0.000 0.997 441 D CA 1.361 55.322 54.000 -0.064 0.000 0.840 441 D CB -0.221 40.444 40.800 -0.225 0.000 0.947 441 D HN 0.461 nan 8.370 nan 0.000 0.452 442 Y N -0.004 120.420 120.300 0.208 0.000 2.337 442 Y HA 0.101 4.651 4.550 0.001 0.000 0.293 442 Y C 2.097 178.234 175.900 0.395 0.000 1.123 442 Y CA 0.284 58.594 58.100 0.349 0.000 1.201 442 Y CB -0.215 38.364 38.460 0.199 0.000 1.011 442 Y HN 0.022 nan 8.280 nan 0.000 0.545 443 I N 0.052 120.821 120.570 0.332 0.000 2.315 443 I HA -0.275 3.895 4.170 0.001 0.000 0.248 443 I C 1.207 177.358 176.117 0.057 0.000 1.117 443 I CA 1.246 62.688 61.300 0.237 0.000 1.404 443 I CB -0.288 37.696 38.000 -0.026 0.000 1.071 443 I HN 0.254 nan 8.210 nan 0.000 0.419 444 N N 0.969 119.643 118.700 -0.043 0.000 2.336 444 N HA 0.160 4.900 4.740 0.001 0.000 0.189 444 N C 1.060 176.456 175.510 -0.190 0.000 1.113 444 N CA 0.822 53.760 53.050 -0.185 0.000 0.858 444 N CB 0.664 39.051 38.487 -0.166 0.000 0.970 444 N HN 0.283 nan 8.380 nan 0.000 0.471 445 A N -0.352 122.440 122.820 -0.045 0.000 2.847 445 A HA -0.204 4.117 4.320 0.001 0.000 0.263 445 A C 1.539 179.016 177.584 -0.179 0.000 1.391 445 A CA 1.016 52.916 52.037 -0.229 0.000 0.866 445 A CB -2.131 16.649 19.000 -0.366 0.000 1.057 445 A HN 0.130 nan 8.150 nan 0.000 0.673 446 V N -0.491 119.369 119.914 -0.089 0.000 2.346 446 V HA 0.166 4.287 4.120 0.001 0.000 0.244 446 V C 2.032 178.089 176.094 -0.062 0.000 1.037 446 V CA 1.624 63.876 62.300 -0.081 0.000 1.029 446 V CB -0.803 30.974 31.823 -0.076 0.000 0.663 446 V HN 1.454 nan 8.190 nan 0.000 0.454 447 A N 1.100 123.848 122.820 -0.120 0.000 2.492 447 A HA 0.120 4.441 4.320 0.001 0.000 0.236 447 A C 0.511 178.105 177.584 0.017 0.000 1.078 447 A CA -0.059 51.860 52.037 -0.196 0.000 0.773 447 A CB -0.171 18.384 19.000 -0.743 0.000 1.023 447 A HN 0.694 nan 8.150 nan 0.000 0.504 448 E N 1.439 121.641 120.200 0.005 0.000 2.313 448 E HA 0.301 4.651 4.350 0.001 0.000 0.276 448 E C 0.077 176.731 176.600 0.090 0.000 1.031 448 E CA -0.785 55.658 56.400 0.070 0.000 0.857 448 E CB 0.630 30.340 29.700 0.017 0.000 1.040 448 E HN 0.559 nan 8.360 nan 0.000 0.408 449 R N 3.660 124.253 120.500 0.157 0.000 2.486 449 R HA -0.062 4.279 4.340 0.001 0.000 0.304 449 R C -1.212 174.992 176.300 -0.160 0.000 0.913 449 R CA -0.599 55.519 56.100 0.030 0.000 1.124 449 R CB 0.395 30.743 30.300 0.081 0.000 0.891 449 R HN 0.592 nan 8.270 nan 0.000 0.410 450 P HA -0.059 nan 4.420 nan 0.000 0.225 450 P C -0.338 176.700 177.300 -0.436 0.000 1.148 450 P CA 0.825 63.533 63.100 -0.654 0.000 0.779 450 P CB 0.420 31.346 31.700 -1.289 0.000 0.780 451 S N -2.185 113.374 115.700 -0.235 0.000 2.669 451 S HA 0.362 4.832 4.470 0.001 0.000 0.304 451 S C -0.444 174.104 174.600 -0.087 0.000 1.021 451 S CA 0.193 58.317 58.200 -0.127 0.000 0.854 451 S CB -0.047 63.116 63.200 -0.063 0.000 1.048 451 S HN 0.035 nan 8.310 nan 0.000 0.452 452 D N 1.906 122.253 120.400 -0.087 0.000 2.358 452 D HA 0.470 5.110 4.640 0.001 0.000 0.224 452 D C 1.274 177.521 176.300 -0.088 0.000 1.123 452 D CA 0.916 54.877 54.000 -0.064 0.000 0.833 452 D CB 0.023 40.793 40.800 -0.051 0.000 0.946 452 D HN 1.106 nan 8.370 nan 0.000 0.505 453 V N -4.890 114.936 119.914 -0.146 0.000 3.165 453 V HA 0.404 4.525 4.120 0.001 0.000 0.231 453 V C 0.112 176.145 176.094 -0.102 0.000 1.365 453 V CA -0.271 61.896 62.300 -0.222 0.000 1.286 453 V CB -0.313 31.204 31.823 -0.511 0.000 1.081 453 V HN 0.248 nan 8.190 nan 0.000 0.477 454 Y N 1.606 121.904 120.300 -0.004 0.000 2.419 454 Y HA 0.766 5.317 4.550 0.001 0.000 0.328 454 Y C 0.750 176.667 175.900 0.027 0.000 1.162 454 Y CA -1.435 56.661 58.100 -0.007 0.000 1.174 454 Y CB 1.519 39.939 38.460 -0.067 0.000 1.228 454 Y HN 0.165 nan 8.280 nan 0.000 0.473 455 S N 1.419 117.259 115.700 0.233 0.000 2.528 455 S HA 0.502 4.973 4.470 0.001 0.000 0.277 455 S C -0.509 174.225 174.600 0.223 0.000 1.297 455 S CA -0.379 57.916 58.200 0.159 0.000 1.052 455 S CB -0.471 62.787 63.200 0.096 0.000 0.917 455 S HN 0.681 nan 8.310 nan 0.000 0.492 456 C N 2.854 122.269 119.300 0.192 0.000 2.822 456 C HA 0.924 5.385 4.460 0.001 0.000 0.341 456 C C 0.225 175.367 174.990 0.253 0.000 1.301 456 C CA -0.869 58.326 59.018 0.294 0.000 1.706 456 C CB 1.327 29.258 27.740 0.318 0.000 2.178 456 C HN 0.829 nan 8.230 nan 0.000 0.481 457 S N -0.218 115.657 115.700 0.293 0.000 2.547 457 S HA 0.506 4.976 4.470 0.001 0.000 0.281 457 S C -2.419 172.246 174.600 0.108 0.000 1.118 457 S CA -0.874 57.464 58.200 0.230 0.000 0.947 457 S CB 1.587 64.890 63.200 0.172 0.000 1.053 457 S HN 0.503 nan 8.310 nan 0.000 0.482 458 P HA -0.115 nan 4.420 nan 0.000 0.223 458 P C 0.997 178.220 177.300 -0.128 0.000 1.140 458 P CA 0.925 63.858 63.100 -0.278 0.000 0.783 458 P CB -0.167 31.390 31.700 -0.238 0.000 0.759 459 N N -0.685 117.983 118.700 -0.054 0.000 2.412 459 N HA 0.052 4.792 4.740 0.001 0.000 0.184 459 N C 0.848 176.263 175.510 -0.158 0.000 1.101 459 N CA 1.145 54.161 53.050 -0.056 0.000 0.881 459 N CB -0.048 38.424 38.487 -0.024 0.000 0.969 459 N HN 0.125 nan 8.380 nan 0.000 0.459 464 Y N 1.187 121.421 120.300 -0.110 0.000 2.357 464 Y HA 0.321 4.871 4.550 0.001 0.000 0.340 464 Y C 1.065 177.001 175.900 0.061 0.000 1.260 464 Y CA -0.196 57.868 58.100 -0.060 0.000 1.425 464 Y CB 0.740 39.154 38.460 -0.075 0.000 1.326 464 Y HN 0.457 nan 8.280 nan 0.000 0.580 465 K N 0.153 120.720 120.400 0.279 0.000 2.402 465 K HA 0.058 4.378 4.320 0.001 0.000 0.204 465 K C 0.079 176.758 176.600 0.131 0.000 1.056 465 K CA 0.036 56.421 56.287 0.164 0.000 1.069 465 K CB 0.403 32.990 32.500 0.145 0.000 0.888 465 K HN 0.616 nan 8.250 nan 0.000 0.546 466 D N 1.844 122.341 120.400 0.162 0.000 2.119 466 D HA -0.172 4.469 4.640 0.001 0.000 0.199 466 D C 1.459 177.777 176.300 0.030 0.000 0.987 466 D CA 1.598 55.648 54.000 0.083 0.000 0.858 466 D CB -0.182 40.642 40.800 0.040 0.000 1.008 466 D HN 0.217 nan 8.370 nan 0.000 0.450 467 R N 0.780 121.281 120.500 0.001 0.000 2.810 467 R HA 0.397 4.738 4.340 0.001 0.000 0.245 467 R C -0.479 175.813 176.300 -0.012 0.000 1.168 467 R CA -0.627 55.461 56.100 -0.020 0.000 1.096 467 R CB -0.329 29.939 30.300 -0.053 0.000 1.259 467 R HN 0.084 nan 8.270 nan 0.000 0.518 468 D N 0.253 120.637 120.400 -0.027 0.000 2.225 468 D HA 0.361 5.001 4.640 0.001 0.000 0.248 468 D C 0.405 176.678 176.300 -0.045 0.000 1.096 468 D CA 0.042 54.022 54.000 -0.035 0.000 0.863 468 D CB 1.434 42.210 40.800 -0.040 0.000 1.156 468 D HN 0.802 nan 8.370 nan 0.000 0.450 469 G N 0.535 109.307 108.800 -0.048 0.000 2.594 469 G HA2 0.202 4.162 3.960 0.001 0.000 0.243 469 G HA3 0.202 4.162 3.960 0.001 0.000 0.243 469 G C 1.293 176.140 174.900 -0.088 0.000 1.229 469 G CA -0.594 44.469 45.100 -0.060 0.000 0.843 469 G HN 0.299 nan 8.290 nan 0.000 0.578 470 V N 1.537 121.382 119.914 -0.115 0.000 2.261 470 V HA -0.186 3.935 4.120 0.001 0.000 0.246 470 V C 3.026 179.029 176.094 -0.151 0.000 1.047 470 V CA 1.777 63.994 62.300 -0.138 0.000 1.015 470 V CB -0.776 30.930 31.823 -0.196 0.000 0.642 470 V HN 0.505 nan 8.190 nan 0.000 0.446 471 V N 0.256 120.055 119.914 -0.192 0.000 2.287 471 V HA -0.163 3.958 4.120 0.001 0.000 0.248 471 V C 0.145 176.162 176.094 -0.127 0.000 1.053 471 V CA 2.506 64.696 62.300 -0.184 0.000 1.027 471 V CB -1.933 29.776 31.823 -0.191 0.000 0.646 471 V HN 0.507 nan 8.190 nan 0.000 0.447 472 P HA -0.122 nan 4.420 nan 0.000 0.214 472 P C 1.862 179.113 177.300 -0.082 0.000 1.163 472 P CA 1.860 64.882 63.100 -0.130 0.000 0.883 472 P CB -0.265 31.349 31.700 -0.143 0.000 0.788 473 T N -0.157 114.361 114.554 -0.059 0.000 2.803 473 T HA -0.154 4.196 4.350 0.001 0.000 0.269 473 T C 1.504 176.223 174.700 0.032 0.000 1.052 473 T CA 1.228 63.315 62.100 -0.022 0.000 1.136 473 T CB -0.627 68.227 68.868 -0.024 0.000 0.864 473 T HN 0.204 nan 8.240 nan 0.000 0.467 474 E N 1.141 121.376 120.200 0.057 0.000 2.107 474 E HA -0.009 4.342 4.350 0.001 0.000 0.191 474 E C 2.355 179.120 176.600 0.275 0.000 0.982 474 E CA 0.720 57.223 56.400 0.171 0.000 0.809 474 E CB -0.330 29.508 29.700 0.230 0.000 0.756 474 E HN 0.683 nan 8.360 nan 0.000 0.459 475 I N -0.752 119.949 120.570 0.217 0.000 2.406 475 I HA -0.085 4.085 4.170 0.001 0.000 0.249 475 I C 2.058 178.338 176.117 0.271 0.000 1.122 475 I CA 1.038 62.525 61.300 0.310 0.000 1.431 475 I CB -0.926 37.185 38.000 0.184 0.000 1.087 475 I HN -0.168 nan 8.210 nan 0.000 0.424 476 T N 1.234 115.839 114.554 0.085 0.000 2.746 476 T HA -0.190 4.160 4.350 0.001 0.000 0.267 476 T C 1.901 176.704 174.700 0.171 0.000 1.039 476 T CA 1.889 64.010 62.100 0.036 0.000 1.142 476 T CB -0.218 68.618 68.868 -0.052 0.000 0.866 476 T HN 0.349 nan 8.240 nan 0.000 0.444 477 K N 0.589 121.085 120.400 0.161 0.000 2.057 477 K HA -0.073 4.247 4.320 0.001 0.000 0.207 477 K C 2.173 178.909 176.600 0.227 0.000 1.049 477 K CA 0.978 57.368 56.287 0.171 0.000 0.931 477 K CB -0.248 32.342 32.500 0.150 0.000 0.714 477 K HN 0.135 nan 8.250 nan 0.000 0.440 478 V N 0.724 120.808 119.914 0.284 0.000 2.358 478 V HA -0.216 3.904 4.120 0.001 0.000 0.246 478 V C 1.983 178.219 176.094 0.236 0.000 1.047 478 V CA 1.585 64.042 62.300 0.263 0.000 1.035 478 V CB -0.596 31.415 31.823 0.314 0.000 0.658 478 V HN 0.222 nan 8.190 nan 0.000 0.452 479 F N 1.607 121.616 119.950 0.099 0.000 2.025 479 F HA -0.224 4.304 4.527 0.001 0.000 0.297 479 F C 2.523 178.353 175.800 0.051 0.000 1.132 479 F CA 2.224 60.262 58.000 0.064 0.000 1.191 479 F CB -0.646 38.383 39.000 0.048 0.000 0.963 479 F HN 0.185 nan 8.300 nan 0.000 0.481 480 N N 0.162 119.029 118.700 0.278 0.000 2.137 480 N HA -0.219 4.521 4.740 0.001 0.000 0.190 480 N C 1.754 177.320 175.510 0.094 0.000 1.017 480 N CA 1.528 54.671 53.050 0.155 0.000 0.859 480 N CB -0.601 37.959 38.487 0.123 0.000 1.002 480 N HN 0.535 nan 8.380 nan 0.000 0.428 481 Q N 0.192 120.067 119.800 0.125 0.000 2.167 481 Q HA -0.078 4.262 4.340 0.001 0.000 0.202 481 Q C 2.055 178.127 176.000 0.121 0.000 0.970 481 Q CA 0.708 56.604 55.803 0.154 0.000 0.855 481 Q CB -0.029 28.840 28.738 0.219 0.000 0.911 481 Q HN 0.196 nan 8.270 nan 0.000 0.438 482 R N 1.706 122.225 120.500 0.031 0.000 2.103 482 R HA -0.178 4.163 4.340 0.001 0.000 0.234 482 R C 1.872 178.152 176.300 -0.034 0.000 1.132 482 R CA 1.969 58.043 56.100 -0.042 0.000 0.925 482 R CB -0.173 30.034 30.300 -0.155 0.000 0.842 482 R HN 0.070 nan 8.270 nan 0.000 0.430 483 K N 0.154 120.530 120.400 -0.040 0.000 1.988 483 K HA -0.271 4.050 4.320 0.001 0.000 0.221 483 K C 2.079 178.603 176.600 -0.126 0.000 1.053 483 K CA 2.104 58.356 56.287 -0.059 0.000 0.959 483 K CB -0.451 32.032 32.500 -0.028 0.000 0.728 483 K HN 0.390 nan 8.250 nan 0.000 0.447 484 E N 0.450 120.548 120.200 -0.169 0.000 2.072 484 E HA -0.302 4.048 4.350 0.001 0.000 0.218 484 E C 2.099 178.316 176.600 -0.639 0.000 1.051 484 E CA 1.770 57.928 56.400 -0.404 0.000 0.880 484 E CB -0.115 29.358 29.700 -0.377 0.000 0.783 484 E HN 0.413 nan 8.360 nan 0.000 0.473 485 H N -0.110 118.764 119.070 -0.327 0.000 2.387 485 H HA -0.112 4.445 4.556 0.001 0.000 0.299 485 H C 2.289 177.555 175.328 -0.104 0.000 1.099 485 H CA 1.626 57.577 56.048 -0.161 0.000 1.315 485 H CB -0.166 29.601 29.762 0.008 0.000 1.380 485 H HN 0.230 nan 8.280 nan 0.000 0.513 486 K N 0.931 121.328 120.400 -0.005 0.000 2.097 486 K HA -0.107 4.213 4.320 0.001 0.000 0.206 486 K C 2.401 178.974 176.600 -0.044 0.000 1.049 486 K CA 1.161 57.440 56.287 -0.014 0.000 0.933 486 K CB -0.198 32.281 32.500 -0.035 0.000 0.717 486 K HN 0.239 nan 8.250 nan 0.000 0.442 487 G N 0.663 109.378 108.800 -0.142 0.000 2.421 487 G HA2 -0.210 3.751 3.960 0.001 0.000 0.216 487 G HA3 -0.210 3.751 3.960 0.001 0.000 0.216 487 G C 0.361 175.217 174.900 -0.073 0.000 1.171 487 G CA 0.662 45.670 45.100 -0.153 0.000 0.775 487 G HN 0.186 nan 8.290 nan 0.000 0.543 491 A N 0.368 123.215 122.820 0.045 0.000 2.178 491 A HA 0.485 4.805 4.320 0.001 0.000 0.211 491 A C 2.059 179.667 177.584 0.040 0.000 1.157 491 A CA 1.159 53.222 52.037 0.044 0.000 0.780 491 A CB -0.117 18.918 19.000 0.059 0.000 0.828 491 A HN 0.321 nan 8.150 nan 0.000 0.476 492 A N -0.504 122.342 122.820 0.044 0.000 2.123 492 A HA 0.017 4.337 4.320 0.001 0.000 0.214 492 A C 2.003 179.598 177.584 0.018 0.000 1.152 492 A CA 1.010 53.062 52.037 0.025 0.000 0.728 492 A CB -0.186 18.828 19.000 0.024 0.000 0.814 492 A HN 0.616 nan 8.150 nan 0.000 0.464 493 Q N -0.581 119.233 119.800 0.023 0.000 2.013 493 Q HA -0.037 4.303 4.340 0.001 0.000 0.195 493 Q C 2.163 178.174 176.000 0.018 0.000 0.974 493 Q CA 0.938 56.752 55.803 0.020 0.000 0.826 493 Q CB -0.236 28.514 28.738 0.020 0.000 0.895 493 Q HN 0.450 nan 8.270 nan 0.000 0.448 494 R N 1.271 121.781 120.500 0.018 0.000 2.165 494 R HA -0.124 4.217 4.340 0.001 0.000 0.254 494 R C 0.793 177.102 176.300 0.015 0.000 1.153 494 R CA 1.459 57.569 56.100 0.015 0.000 0.971 494 R CB -0.341 29.968 30.300 0.015 0.000 0.878 494 R HN 0.350 nan 8.270 nan 0.000 0.449 543 F N 1.598 121.553 119.950 0.008 0.000 2.325 543 F HA 0.045 4.573 4.527 0.001 0.000 0.299 543 F C 2.140 177.945 175.800 0.009 0.000 1.090 543 F CA 1.402 59.408 58.000 0.011 0.000 1.392 543 F CB -0.043 38.967 39.000 0.016 0.000 1.053 543 F HN -0.038 nan 8.300 nan 0.000 0.521 544 R N 0.216 120.544 120.500 -0.288 0.000 2.235 544 R HA 0.123 4.463 4.340 0.001 0.000 0.213 544 R C 2.161 178.318 176.300 -0.239 0.000 1.059 544 R CA 0.842 56.716 56.100 -0.377 0.000 0.997 544 R CB -0.548 29.642 30.300 -0.183 0.000 0.884 544 R HN 0.358 nan 8.270 nan 0.000 0.462 545 A N 0.662 123.402 122.820 -0.133 0.000 2.095 545 A HA -0.074 4.247 4.320 0.001 0.000 0.212 545 A C 2.036 179.580 177.584 -0.066 0.000 1.162 545 A CA 0.365 52.355 52.037 -0.078 0.000 0.753 545 A CB 0.030 19.013 19.000 -0.029 0.000 0.840 545 A HN 0.161 nan 8.150 nan 0.000 0.468 546 Q N 0.347 120.111 119.800 -0.061 0.000 2.016 546 Q HA -0.119 4.221 4.340 0.001 0.000 0.200 546 Q C 2.216 178.178 176.000 -0.063 0.000 0.978 546 Q CA 1.990 57.788 55.803 -0.008 0.000 0.833 546 Q CB -0.281 28.522 28.738 0.108 0.000 0.895 546 Q HN 0.597 nan 8.270 nan 0.000 0.427 547 R N -0.797 119.594 120.500 -0.183 0.000 2.105 547 R HA -0.152 4.188 4.340 0.001 0.000 0.239 547 R C 1.938 178.159 176.300 -0.132 0.000 1.135 547 R CA 1.885 57.875 56.100 -0.184 0.000 0.967 547 R CB -0.441 29.657 30.300 -0.338 0.000 0.861 547 R HN 0.308 nan 8.270 nan 0.000 0.442 548 T N 0.654 115.127 114.554 -0.134 0.000 2.622 548 T HA -0.222 4.129 4.350 0.001 0.000 0.266 548 T C 1.483 176.154 174.700 -0.049 0.000 1.047 548 T CA 1.671 63.710 62.100 -0.101 0.000 1.159 548 T CB -0.297 68.511 68.868 -0.100 0.000 0.863 548 T HN 0.466 nan 8.240 nan 0.000 0.422 549 E N 0.335 120.518 120.200 -0.028 0.000 2.068 549 E HA -0.214 4.136 4.350 0.001 0.000 0.207 549 E C 2.206 178.809 176.600 0.005 0.000 1.032 549 E CA 1.892 58.295 56.400 0.004 0.000 0.839 549 E CB -0.309 29.395 29.700 0.006 0.000 0.758 549 E HN 0.256 nan 8.360 nan 0.000 0.457 550 V N 1.229 121.135 119.914 -0.014 0.000 2.278 550 V HA -0.351 3.769 4.120 0.001 0.000 0.251 550 V C 2.527 178.608 176.094 -0.021 0.000 1.062 550 V CA 2.153 64.442 62.300 -0.018 0.000 1.038 550 V CB -0.980 30.824 31.823 -0.032 0.000 0.646 550 V HN 0.540 nan 8.190 nan 0.000 0.447 551 A N -0.070 122.732 122.820 -0.031 0.000 1.978 551 A HA 0.048 4.369 4.320 0.001 0.000 0.220 551 A C 1.674 179.276 177.584 0.029 0.000 1.170 551 A CA 1.350 53.372 52.037 -0.024 0.000 0.636 551 A CB -1.087 17.884 19.000 -0.048 0.000 0.810 551 A HN 0.608 nan 8.150 nan 0.000 0.448 555 A N 1.475 124.210 122.820 -0.141 0.000 1.902 555 A HA -0.107 4.213 4.320 0.001 0.000 0.217 555 A C 2.187 179.604 177.584 -0.278 0.000 1.181 555 A CA 2.224 54.085 52.037 -0.293 0.000 0.623 555 A CB -0.754 17.957 19.000 -0.482 0.000 0.818 555 A HN 0.557 nan 8.150 nan 0.000 0.443 556 Q N -0.549 119.165 119.800 -0.144 0.000 2.096 556 Q HA -0.178 4.162 4.340 0.001 0.000 0.204 556 Q C 1.902 177.829 176.000 -0.122 0.000 0.982 556 Q CA 1.640 57.384 55.803 -0.098 0.000 0.850 556 Q CB -0.190 28.525 28.738 -0.037 0.000 0.901 556 Q HN 0.551 nan 8.270 nan 0.000 0.422 557 I N 1.612 122.116 120.570 -0.111 0.000 2.113 557 I HA -0.270 3.900 4.170 0.001 0.000 0.238 557 I C 1.931 177.968 176.117 -0.134 0.000 1.070 557 I CA 1.360 62.598 61.300 -0.102 0.000 1.332 557 I CB -1.705 36.246 38.000 -0.081 0.000 1.044 557 I HN 0.273 nan 8.210 nan 0.000 0.402 558 N N 0.875 119.464 118.700 -0.186 0.000 2.137 558 N HA -0.193 4.547 4.740 0.001 0.000 0.190 558 N C 1.815 177.189 175.510 -0.227 0.000 1.017 558 N CA 1.079 53.995 53.050 -0.225 0.000 0.859 558 N CB -0.205 38.102 38.487 -0.300 0.000 1.002 558 N HN 0.267 nan 8.380 nan 0.000 0.428 559 R N 0.574 120.927 120.500 -0.245 0.000 2.092 559 R HA -0.022 4.318 4.340 0.001 0.000 0.231 559 R C 2.046 178.282 176.300 -0.107 0.000 1.119 559 R CA 0.861 56.842 56.100 -0.199 0.000 0.970 559 R CB -0.574 29.614 30.300 -0.187 0.000 0.864 559 R HN 0.239 nan 8.270 nan 0.000 0.440 560 K N 1.368 121.701 120.400 -0.113 0.000 2.002 560 K HA -0.026 4.295 4.320 0.001 0.000 0.209 560 K C 2.145 178.731 176.600 -0.022 0.000 1.048 560 K CA 1.166 57.400 56.287 -0.090 0.000 0.930 560 K CB -0.457 31.983 32.500 -0.100 0.000 0.714 560 K HN 0.076 nan 8.250 nan 0.000 0.438 561 L N 0.182 121.398 121.223 -0.011 0.000 2.042 561 L HA -0.182 4.159 4.340 0.001 0.000 0.210 561 L C 2.237 179.183 176.870 0.126 0.000 1.076 561 L CA 0.573 55.454 54.840 0.069 0.000 0.749 561 L CB -0.537 41.565 42.059 0.071 0.000 0.893 561 L HN 0.186 nan 8.230 nan 0.000 0.432 562 L N -0.119 121.148 121.223 0.074 0.000 2.056 562 L HA -0.165 4.176 4.340 0.001 0.000 0.207 562 L C 2.357 179.521 176.870 0.491 0.000 1.078 562 L CA 1.759 56.685 54.840 0.143 0.000 0.749 562 L CB -0.564 41.426 42.059 -0.115 0.000 0.901 562 L HN 0.133 nan 8.230 nan 0.000 0.433 563 I N -0.368 120.389 120.570 0.311 0.000 2.394 563 I HA -0.270 3.901 4.170 0.001 0.000 0.251 563 I C 1.567 177.843 176.117 0.264 0.000 1.136 563 I CA 0.850 62.349 61.300 0.332 0.000 1.425 563 I CB -0.272 37.812 38.000 0.141 0.000 1.079 563 I HN 0.331 nan 8.210 nan 0.000 0.425 564 N N 0.060 118.877 118.700 0.195 0.000 2.422 564 N HA -0.034 4.706 4.740 0.001 0.000 0.181 564 N C 1.712 177.343 175.510 0.201 0.000 1.080 564 N CA 1.054 54.198 53.050 0.157 0.000 0.893 564 N CB 0.120 38.655 38.487 0.080 0.000 0.973 564 N HN 0.343 nan 8.380 nan 0.000 0.456 565 S N -0.430 115.438 115.700 0.281 0.000 2.517 565 S HA 0.095 4.566 4.470 0.001 0.000 0.214 565 S C 1.763 176.453 174.600 0.151 0.000 0.991 565 S CA -0.272 58.089 58.200 0.268 0.000 0.906 565 S CB -0.016 63.388 63.200 0.339 0.000 0.789 565 S HN 0.067 nan 8.310 nan 0.000 0.513 566 L N 1.579 122.832 121.223 0.050 0.000 1.976 566 L HA -0.015 4.325 4.340 0.001 0.000 0.209 566 L C 2.236 178.935 176.870 -0.285 0.000 1.071 566 L CA 1.944 56.470 54.840 -0.524 0.000 0.746 566 L CB -1.348 40.323 42.059 -0.646 0.000 0.890 566 L HN 0.359 nan 8.230 nan 0.000 0.432 567 Y N 0.581 120.819 120.300 -0.104 0.000 2.139 567 Y HA -0.236 4.314 4.550 0.001 0.000 0.282 567 Y C 2.230 178.144 175.900 0.024 0.000 1.179 567 Y CA 1.895 60.000 58.100 0.007 0.000 1.161 567 Y CB -1.030 37.551 38.460 0.202 0.000 0.970 567 Y HN 0.254 nan 8.280 nan 0.000 0.511 568 G N -0.510 108.164 108.800 -0.211 0.000 2.418 568 G HA2 -0.237 3.723 3.960 0.001 0.000 0.217 568 G HA3 -0.237 3.723 3.960 0.001 0.000 0.217 568 G C 1.830 176.571 174.900 -0.266 0.000 1.158 568 G CA 1.138 46.098 45.100 -0.234 0.000 0.771 568 G HN 0.647 nan 8.290 nan 0.000 0.545 569 A N 0.673 123.284 122.820 -0.348 0.000 1.873 569 A HA 0.154 4.474 4.320 0.001 0.000 0.215 569 A C 2.366 179.743 177.584 -0.345 0.000 1.186 569 A CA 1.095 52.796 52.037 -0.560 0.000 0.616 569 A CB -0.469 17.813 19.000 -1.197 0.000 0.823 569 A HN 0.324 nan 8.150 nan 0.000 0.442 570 L N -0.549 120.525 121.223 -0.247 0.000 2.349 570 L HA -0.133 4.207 4.340 0.001 0.000 0.220 570 L C 2.377 179.222 176.870 -0.043 0.000 1.130 570 L CA 0.821 55.696 54.840 0.058 0.000 0.791 570 L CB -0.357 41.689 42.059 -0.023 0.000 0.918 570 L HN 0.528 nan 8.230 nan 0.000 0.444 571 G N -1.494 107.198 108.800 -0.180 0.000 2.887 571 G HA2 -0.095 3.866 3.960 0.001 0.000 0.211 571 G HA3 -0.095 3.866 3.960 0.001 0.000 0.211 571 G C 0.589 175.577 174.900 0.147 0.000 1.152 571 G CA -0.271 44.770 45.100 -0.098 0.000 0.769 571 G HN 0.193 nan 8.290 nan 0.000 0.541 572 N N 1.303 120.081 118.700 0.129 0.000 2.472 572 N HA 0.082 4.822 4.740 0.001 0.000 0.277 572 N C 1.717 177.250 175.510 0.039 0.000 1.081 572 N CA -0.039 53.087 53.050 0.127 0.000 0.973 572 N CB 2.075 40.647 38.487 0.142 0.000 1.105 572 N HN 0.004 nan 8.380 nan 0.000 0.470 573 V N 1.888 121.620 119.914 -0.304 0.000 3.078 573 V HA -0.012 4.109 4.120 0.001 0.000 0.265 573 V C 1.073 176.843 176.094 -0.539 0.000 1.122 573 V CA 0.824 62.609 62.300 -0.858 0.000 1.141 573 V CB -0.928 30.352 31.823 -0.905 0.000 0.735 573 V HN 0.639 nan 8.190 nan 0.000 0.498 574 W N -1.054 120.213 121.300 -0.055 0.000 3.197 574 W HA 0.409 5.069 4.660 0.001 0.000 0.274 574 W C 0.902 177.488 176.519 0.111 0.000 1.297 574 W CA -0.845 56.511 57.345 0.019 0.000 1.662 574 W CB -0.198 29.270 29.460 0.014 0.000 1.106 574 W HN 0.170 nan 8.180 nan 0.000 0.663 575 F N 2.487 122.516 119.950 0.131 0.000 2.504 575 F HA 0.159 4.687 4.527 0.001 0.000 0.369 575 F C 1.795 177.615 175.800 0.033 0.000 1.082 575 F CA -1.069 57.000 58.000 0.115 0.000 1.216 575 F CB 0.647 39.728 39.000 0.134 0.000 1.108 575 F HN -0.163 nan 8.300 nan 0.000 0.554 576 R N 3.464 123.671 120.500 -0.488 0.000 2.371 576 R HA -0.180 4.160 4.340 0.001 0.000 0.226 576 R C -0.104 175.512 176.300 -1.139 0.000 1.132 576 R CA 1.494 57.132 56.100 -0.770 0.000 1.027 576 R CB -0.164 29.605 30.300 -0.883 0.000 0.848 576 R HN 0.723 nan 8.270 nan 0.000 0.479 577 Y N -2.272 117.557 120.300 -0.785 0.000 2.707 577 Y HA 0.104 4.655 4.550 0.001 0.000 0.249 577 Y C -0.317 175.508 175.900 -0.125 0.000 1.166 577 Y CA -1.089 56.752 58.100 -0.431 0.000 1.184 577 Y CB -0.109 38.035 38.460 -0.527 0.000 1.240 577 Y HN -0.010 nan 8.280 nan 0.000 0.547 578 Y N 2.268 122.500 120.300 -0.112 0.000 2.550 578 Y HA 0.266 4.816 4.550 0.001 0.000 0.343 578 Y C 0.069 175.829 175.900 -0.233 0.000 1.245 578 Y CA 0.110 58.129 58.100 -0.136 0.000 1.462 578 Y CB 0.596 38.900 38.460 -0.260 0.000 1.340 578 Y HN 0.217 nan 8.280 nan 0.000 0.604 579 D N 6.479 126.324 120.400 -0.925 0.000 2.251 579 D HA -0.014 4.626 4.640 0.001 0.000 0.210 579 D C 0.362 176.131 176.300 -0.885 0.000 1.304 579 D CA -0.293 53.302 54.000 -0.675 0.000 0.912 579 D CB 0.779 41.432 40.800 -0.245 0.000 1.553 579 D HN 0.865 nan 8.370 nan 0.000 0.526 580 L N 3.412 124.058 121.223 -0.963 0.000 2.034 580 L HA -0.241 4.099 4.340 0.001 0.000 0.217 580 L C 2.488 179.126 176.870 -0.387 0.000 1.077 580 L CA 1.646 56.095 54.840 -0.651 0.000 0.769 580 L CB 0.038 41.941 42.059 -0.259 0.000 0.890 580 L HN 0.405 nan 8.230 nan 0.000 0.435 581 R N -0.567 119.782 120.500 -0.251 0.000 2.105 581 R HA -0.177 4.163 4.340 0.001 0.000 0.239 581 R C 1.961 178.195 176.300 -0.111 0.000 1.135 581 R CA 2.015 58.026 56.100 -0.148 0.000 0.967 581 R CB -0.425 29.800 30.300 -0.124 0.000 0.861 581 R HN 0.603 nan 8.270 nan 0.000 0.442 582 N N -0.087 118.528 118.700 -0.142 0.000 2.250 582 N HA -0.064 4.676 4.740 0.001 0.000 0.181 582 N C 1.756 177.186 175.510 -0.134 0.000 1.017 582 N CA 0.581 53.586 53.050 -0.074 0.000 0.866 582 N CB 0.018 38.469 38.487 -0.060 0.000 0.985 582 N HN 0.188 nan 8.380 nan 0.000 0.429 583 A N 0.860 123.527 122.820 -0.255 0.000 1.865 583 A HA -0.154 4.166 4.320 0.001 0.000 0.217 583 A C 2.271 179.876 177.584 0.034 0.000 1.191 583 A CA 1.818 53.745 52.037 -0.182 0.000 0.623 583 A CB -1.121 17.495 19.000 -0.639 0.000 0.826 583 A HN 0.189 nan 8.150 nan 0.000 0.444 584 T N 0.279 114.828 114.554 -0.007 0.000 2.833 584 T HA 0.003 4.353 4.350 0.001 0.000 0.269 584 T C 2.135 176.862 174.700 0.044 0.000 1.054 584 T CA 1.387 63.564 62.100 0.129 0.000 1.135 584 T CB -0.428 68.488 68.868 0.081 0.000 0.869 584 T HN 0.612 nan 8.240 nan 0.000 0.466 585 A N 1.245 124.060 122.820 -0.008 0.000 1.908 585 A HA -0.061 4.259 4.320 0.001 0.000 0.218 585 A C 2.237 179.778 177.584 -0.072 0.000 1.181 585 A CA 1.288 53.315 52.037 -0.016 0.000 0.627 585 A CB -0.708 18.293 19.000 0.002 0.000 0.818 585 A HN 0.535 nan 8.150 nan 0.000 0.445 586 I N -0.133 120.346 120.570 -0.152 0.000 2.133 586 I HA -0.226 3.944 4.170 0.001 0.000 0.238 586 I C 2.944 178.862 176.117 -0.331 0.000 1.074 586 I CA 1.907 63.022 61.300 -0.309 0.000 1.342 586 I CB -0.854 36.897 38.000 -0.415 0.000 1.053 586 I HN 0.536 nan 8.210 nan 0.000 0.404 587 T N -2.088 112.294 114.554 -0.287 0.000 2.833 587 T HA -0.151 4.200 4.350 0.001 0.000 0.269 587 T C 1.770 176.463 174.700 -0.012 0.000 1.054 587 T CA 1.973 63.946 62.100 -0.212 0.000 1.135 587 T CB -0.742 68.094 68.868 -0.053 0.000 0.869 587 T HN 0.240 nan 8.240 nan 0.000 0.466 588 T N 1.073 115.645 114.554 0.030 0.000 2.812 588 T HA 0.110 4.461 4.350 0.001 0.000 0.264 588 T C 1.257 176.002 174.700 0.076 0.000 1.042 588 T CA 0.984 63.121 62.100 0.062 0.000 1.140 588 T CB -0.575 68.326 68.868 0.054 0.000 0.870 588 T HN 0.447 nan 8.240 nan 0.000 0.445 589 F N 2.192 122.088 119.950 -0.090 0.000 2.250 589 F HA 0.033 4.561 4.527 0.001 0.000 0.301 589 F C 2.175 177.937 175.800 -0.063 0.000 1.077 589 F CA 1.012 58.953 58.000 -0.099 0.000 1.348 589 F CB -0.676 38.232 39.000 -0.153 0.000 1.040 589 F HN 0.148 nan 8.300 nan 0.000 0.509 590 G N -0.249 108.688 108.800 0.228 0.000 2.414 590 G HA2 -0.137 3.824 3.960 0.001 0.000 0.215 590 G HA3 -0.137 3.824 3.960 0.001 0.000 0.215 590 G C 0.893 175.878 174.900 0.141 0.000 1.188 590 G CA 0.067 45.296 45.100 0.214 0.000 0.783 590 G HN 0.380 nan 8.290 nan 0.000 0.537 594 L N 0.882 122.220 121.223 0.192 0.000 2.005 594 L HA -0.049 4.292 4.340 0.001 0.000 0.207 594 L C 2.352 179.299 176.870 0.129 0.000 1.072 594 L CA 2.947 57.915 54.840 0.214 0.000 0.744 594 L CB -0.654 41.554 42.059 0.248 0.000 0.895 594 L HN 0.576 nan 8.230 nan 0.000 0.433 595 Q N -1.504 118.281 119.800 -0.024 0.000 2.124 595 Q HA -0.259 4.082 4.340 0.001 0.000 0.202 595 Q C 1.947 177.952 176.000 0.009 0.000 0.977 595 Q CA 1.969 57.702 55.803 -0.117 0.000 0.850 595 Q CB -0.488 28.060 28.738 -0.317 0.000 0.901 595 Q HN 0.697 nan 8.270 nan 0.000 0.429 596 W N 0.843 122.083 121.300 -0.099 0.000 2.315 596 W HA -0.254 4.406 4.660 0.001 0.000 0.323 596 W C 1.707 178.133 176.519 -0.156 0.000 1.233 596 W CA 1.233 58.518 57.345 -0.101 0.000 1.267 596 W CB -0.471 28.967 29.460 -0.037 0.000 1.160 596 W HN 0.181 nan 8.180 nan 0.000 0.474 597 I N 1.655 122.322 120.570 0.162 0.000 2.567 597 I HA -0.249 3.921 4.170 0.001 0.000 0.257 597 I C 2.520 178.565 176.117 -0.120 0.000 1.184 597 I CA 1.961 63.180 61.300 -0.135 0.000 1.451 597 I CB -0.812 37.047 38.000 -0.234 0.000 1.089 597 I HN 0.162 nan 8.210 nan 0.000 0.441 598 E N 0.386 120.560 120.200 -0.043 0.000 2.031 598 E HA -0.298 4.052 4.350 0.001 0.000 0.193 598 E C 2.468 179.014 176.600 -0.091 0.000 0.994 598 E CA 1.185 57.566 56.400 -0.031 0.000 0.800 598 E CB -0.183 29.519 29.700 0.003 0.000 0.752 598 E HN 0.428 nan 8.360 nan 0.000 0.447 599 R N 0.421 120.822 120.500 -0.165 0.000 2.080 599 R HA -0.162 4.178 4.340 0.001 0.000 0.236 599 R C 2.349 178.496 176.300 -0.254 0.000 1.137 599 R CA 1.775 57.740 56.100 -0.225 0.000 0.943 599 R CB -0.041 30.054 30.300 -0.341 0.000 0.846 599 R HN -0.025 nan 8.270 nan 0.000 0.431 600 K N 0.169 120.355 120.400 -0.356 0.000 2.074 600 K HA -0.131 4.190 4.320 0.001 0.000 0.209 600 K C 2.042 178.521 176.600 -0.202 0.000 1.048 600 K CA 1.403 57.494 56.287 -0.327 0.000 0.926 600 K CB -0.496 31.771 32.500 -0.388 0.000 0.713 600 K HN 0.169 nan 8.250 nan 0.000 0.444 601 V N 2.069 121.877 119.914 -0.177 0.000 2.453 601 V HA -0.177 3.944 4.120 0.001 0.000 0.247 601 V C 1.984 178.034 176.094 -0.074 0.000 1.048 601 V CA 1.362 63.590 62.300 -0.120 0.000 1.049 601 V CB -0.424 31.330 31.823 -0.115 0.000 0.672 601 V HN 0.289 nan 8.190 nan 0.000 0.457 602 N N 0.279 118.950 118.700 -0.049 0.000 2.142 602 N HA -0.143 4.598 4.740 0.001 0.000 0.186 602 N C 1.854 177.322 175.510 -0.071 0.000 1.023 602 N CA 1.362 54.417 53.050 0.008 0.000 0.852 602 N CB -0.154 38.372 38.487 0.066 0.000 0.998 602 N HN 0.588 nan 8.380 nan 0.000 0.424 603 E N -0.246 119.901 120.200 -0.089 0.000 2.051 603 E HA -0.205 4.145 4.350 0.001 0.000 0.192 603 E C 1.704 178.239 176.600 -0.108 0.000 0.991 603 E CA 0.888 57.230 56.400 -0.097 0.000 0.799 603 E CB -0.238 29.390 29.700 -0.120 0.000 0.748 603 E HN 0.441 nan 8.360 nan 0.000 0.449 604 Y N 1.052 121.227 120.300 -0.209 0.000 2.274 604 Y HA -0.151 4.400 4.550 0.001 0.000 0.290 604 Y C 1.852 177.603 175.900 -0.249 0.000 1.145 604 Y CA 1.165 59.142 58.100 -0.205 0.000 1.203 604 Y CB 0.086 38.424 38.460 -0.204 0.000 0.984 604 Y HN -0.045 nan 8.280 nan 0.000 0.533 605 L N -0.119 120.850 121.223 -0.423 0.000 2.209 605 L HA -0.138 4.202 4.340 0.001 0.000 0.207 605 L C 2.034 178.430 176.870 -0.790 0.000 1.094 605 L CA 0.583 54.929 54.840 -0.823 0.000 0.790 605 L CB -0.456 40.719 42.059 -1.472 0.000 0.932 605 L HN 0.227 nan 8.230 nan 0.000 0.447 606 N N -0.049 118.379 118.700 -0.453 0.000 2.309 606 N HA -0.177 4.563 4.740 0.001 0.000 0.182 606 N C 1.488 176.926 175.510 -0.119 0.000 1.018 606 N CA 0.867 53.871 53.050 -0.077 0.000 0.876 606 N CB 0.241 38.749 38.487 0.035 0.000 0.972 606 N HN 0.464 nan 8.380 nan 0.000 0.434 607 E N 0.605 120.669 120.200 -0.227 0.000 1.999 607 E HA -0.117 4.233 4.350 0.001 0.000 0.198 607 E C 1.936 178.399 176.600 -0.229 0.000 0.960 607 E CA 1.462 57.736 56.400 -0.210 0.000 0.870 607 E CB -0.101 29.450 29.700 -0.247 0.000 0.827 607 E HN -0.020 nan 8.360 nan 0.000 0.511 608 V N 0.272 119.963 119.914 -0.372 0.000 2.402 608 V HA -0.400 3.720 4.120 0.001 0.000 0.264 608 V C 2.252 178.284 176.094 -0.104 0.000 1.112 608 V CA 2.254 64.396 62.300 -0.263 0.000 1.110 608 V CB -1.574 30.029 31.823 -0.367 0.000 0.689 608 V HN 0.542 nan 8.190 nan 0.000 0.459 609 C N 0.580 119.823 119.300 -0.096 0.000 2.486 609 C HA 0.473 4.934 4.460 0.001 0.000 0.279 609 C C 2.364 177.368 174.990 0.023 0.000 1.302 609 C CA 1.128 60.158 59.018 0.021 0.000 1.720 609 C CB -0.822 27.003 27.740 0.141 0.000 2.030 609 C HN 1.278 nan 8.230 nan 0.000 0.490 610 G N 0.054 108.853 108.800 -0.000 0.000 2.163 610 G HA2 -0.177 3.783 3.960 0.001 0.000 0.213 610 G HA3 -0.177 3.783 3.960 0.001 0.000 0.213 610 G C 0.229 175.143 174.900 0.023 0.000 0.991 610 G CA 0.540 45.641 45.100 0.002 0.000 0.653 610 G HN 0.677 nan 8.290 nan 0.000 0.518 611 T N -2.018 112.572 114.554 0.060 0.000 2.824 611 T HA 0.676 5.027 4.350 0.001 0.000 0.277 611 T C -0.200 174.535 174.700 0.058 0.000 0.975 611 T CA 0.126 62.271 62.100 0.075 0.000 0.966 611 T CB 2.523 71.476 68.868 0.141 0.000 1.054 611 T HN 0.356 nan 8.240 nan 0.000 0.533 612 E N -0.838 119.391 120.200 0.049 0.000 2.244 612 E HA 0.513 4.864 4.350 0.001 0.000 0.260 612 E C 0.545 177.169 176.600 0.039 0.000 0.884 612 E CA 0.238 56.657 56.400 0.032 0.000 0.777 612 E CB 0.573 30.280 29.700 0.012 0.000 1.197 612 E HN 1.186 nan 8.360 nan 0.000 0.416 613 G N 3.569 112.397 108.800 0.047 0.000 2.225 613 G HA2 -0.262 3.698 3.960 0.001 0.000 0.267 613 G HA3 -0.262 3.698 3.960 0.001 0.000 0.267 613 G C -0.048 174.887 174.900 0.058 0.000 1.024 613 G CA 0.363 45.490 45.100 0.045 0.000 0.784 613 G HN 0.440 nan 8.290 nan 0.000 0.507 614 E N -0.181 120.081 120.200 0.102 0.000 2.301 614 E HA 0.536 4.887 4.350 0.001 0.000 0.275 614 E C 0.500 177.140 176.600 0.066 0.000 1.030 614 E CA 0.203 56.620 56.400 0.029 0.000 0.852 614 E CB 1.476 31.150 29.700 -0.043 0.000 1.060 614 E HN 0.619 nan 8.360 nan 0.000 0.401 615 A N 3.796 126.595 122.820 -0.036 0.000 2.391 615 A HA 0.265 4.585 4.320 0.001 0.000 0.316 615 A C 0.190 177.750 177.584 -0.040 0.000 1.381 615 A CA -0.327 51.728 52.037 0.030 0.000 0.998 615 A CB -0.436 18.579 19.000 0.026 0.000 1.147 615 A HN 0.533 nan 8.150 nan 0.000 0.545 616 F N 2.131 122.106 119.950 0.043 0.000 2.335 616 F HA 0.017 4.544 4.527 0.001 0.000 0.296 616 F C 1.136 176.976 175.800 0.066 0.000 1.091 616 F CA 0.777 58.815 58.000 0.063 0.000 1.399 616 F CB 0.122 39.163 39.000 0.070 0.000 1.067 616 F HN 0.280 nan 8.300 nan 0.000 0.520 617 V N 3.470 123.515 119.914 0.220 0.000 2.372 617 V HA 0.030 4.150 4.120 0.001 0.000 0.261 617 V C 1.012 177.137 176.094 0.052 0.000 1.055 617 V CA -0.208 62.173 62.300 0.135 0.000 0.930 617 V CB 0.566 32.462 31.823 0.122 0.000 1.031 617 V HN 0.265 nan 8.190 nan 0.000 0.479 618 L N 3.632 124.827 121.223 -0.047 0.000 2.375 618 L HA 0.453 4.794 4.340 0.001 0.000 0.215 618 L C 0.358 177.081 176.870 -0.244 0.000 1.108 618 L CA 0.855 55.578 54.840 -0.196 0.000 0.830 618 L CB -0.087 41.681 42.059 -0.485 0.000 0.959 618 L HN 0.506 nan 8.230 nan 0.000 0.457 619 Y N -0.463 119.623 120.300 -0.357 0.000 2.565 619 Y HA 0.657 5.207 4.550 0.001 0.000 0.330 619 Y C -0.721 175.199 175.900 0.034 0.000 1.150 619 Y CA -0.651 57.267 58.100 -0.305 0.000 1.055 619 Y CB 1.628 39.598 38.460 -0.816 0.000 1.337 619 Y HN -0.018 nan 8.280 nan 0.000 0.457 620 G N 2.827 111.218 108.800 -0.680 0.000 2.706 620 G HA2 0.495 4.455 3.960 0.001 0.000 0.297 620 G HA3 0.495 4.455 3.960 0.001 0.000 0.297 620 G C -2.553 171.919 174.900 -0.713 0.000 1.403 620 G CA -0.604 44.276 45.100 -0.367 0.000 0.954 620 G HN 0.508 nan 8.290 nan 0.000 0.500 621 D N 0.296 120.537 120.400 -0.265 0.000 2.764 621 D HA 0.464 5.104 4.640 0.001 0.000 0.227 621 D C 1.126 177.443 176.300 0.028 0.000 1.347 621 D CA 0.587 54.486 54.000 -0.169 0.000 0.953 621 D CB 1.322 42.109 40.800 -0.021 0.000 1.476 621 D HN 0.491 nan 8.370 nan 0.000 0.585 622 T N 2.598 117.173 114.554 0.036 0.000 13.019 622 T HA -0.312 4.038 4.350 0.001 0.000 0.419 622 T C 0.713 175.473 174.700 0.100 0.000 1.441 622 T CA 2.108 64.252 62.100 0.072 0.000 2.367 622 T CB -1.179 67.694 68.868 0.008 0.000 2.820 622 T HN 0.695 nan 8.240 nan 0.000 0.680 623 D N 2.028 122.473 120.400 0.074 0.000 2.535 623 D HA 0.370 5.010 4.640 0.001 0.000 0.229 623 D C 0.162 176.532 176.300 0.117 0.000 1.238 623 D CA 0.553 54.604 54.000 0.084 0.000 0.824 623 D CB 0.136 40.946 40.800 0.017 0.000 1.045 623 D HN 0.773 nan 8.370 nan 0.000 0.500 624 S N -0.150 115.632 115.700 0.137 0.000 2.607 624 S HA 0.751 5.221 4.470 0.001 0.000 0.273 624 S C -0.397 174.271 174.600 0.113 0.000 1.148 624 S CA -1.025 57.247 58.200 0.119 0.000 0.833 624 S CB 1.786 65.038 63.200 0.086 0.000 1.130 624 S HN 0.328 nan 8.310 nan 0.000 0.470 625 I N -1.702 118.884 120.570 0.027 0.000 2.892 625 I HA 0.755 4.925 4.170 0.001 0.000 0.306 625 I C -2.014 174.005 176.117 -0.163 0.000 1.078 625 I CA -1.365 59.975 61.300 0.067 0.000 1.032 625 I CB 1.896 39.976 38.000 0.133 0.000 1.229 625 I HN 0.690 nan 8.210 nan 0.000 0.435 626 Y N 3.259 123.611 120.300 0.088 0.000 2.363 626 Y HA 0.533 5.083 4.550 0.001 0.000 0.325 626 Y C -0.351 175.560 175.900 0.018 0.000 0.984 626 Y CA -0.843 57.280 58.100 0.039 0.000 1.248 626 Y CB 1.878 40.265 38.460 -0.121 0.000 1.116 626 Y HN 0.290 nan 8.280 nan 0.000 0.470 627 V N 2.387 122.431 119.914 0.216 0.000 2.498 627 V HA 0.274 4.394 4.120 0.001 0.000 0.279 627 V C 0.373 176.615 176.094 0.246 0.000 1.048 627 V CA -0.561 61.896 62.300 0.262 0.000 0.967 627 V CB 1.606 33.657 31.823 0.381 0.000 0.988 627 V HN 0.752 nan 8.190 nan 0.000 0.473 628 S N 3.289 119.126 115.700 0.228 0.000 2.489 628 S HA 0.527 4.997 4.470 0.001 0.000 0.277 628 S C 0.765 175.512 174.600 0.245 0.000 1.230 628 S CA 0.029 58.359 58.200 0.217 0.000 1.053 628 S CB 1.056 64.352 63.200 0.161 0.000 0.955 628 S HN 0.991 nan 8.310 nan 0.000 0.488 629 A N 4.102 127.061 122.820 0.231 0.000 2.500 629 A HA 0.272 4.593 4.320 0.001 0.000 0.267 629 A C 1.097 178.723 177.584 0.069 0.000 1.290 629 A CA -0.167 51.966 52.037 0.161 0.000 0.928 629 A CB -0.237 18.828 19.000 0.108 0.000 1.066 629 A HN 0.787 nan 8.150 nan 0.000 0.516 630 D N 1.046 121.513 120.400 0.111 0.000 2.106 630 D HA -0.177 4.463 4.640 0.001 0.000 0.191 630 D C 1.747 178.047 176.300 0.000 0.000 0.997 630 D CA 1.378 55.424 54.000 0.076 0.000 0.834 630 D CB 0.113 40.958 40.800 0.074 0.000 0.956 630 D HN 0.207 nan 8.370 nan 0.000 0.448 631 K N 0.242 120.650 120.400 0.014 0.000 2.147 631 K HA -0.048 4.272 4.320 0.001 0.000 0.205 631 K C 2.320 178.954 176.600 0.058 0.000 1.049 631 K CA 0.469 56.782 56.287 0.042 0.000 0.936 631 K CB -0.362 32.194 32.500 0.093 0.000 0.722 631 K HN 0.328 nan 8.250 nan 0.000 0.446 632 I N 0.535 121.133 120.570 0.047 0.000 2.163 632 I HA -0.261 3.910 4.170 0.001 0.000 0.240 632 I C 2.127 178.241 176.117 -0.004 0.000 1.081 632 I CA 0.944 62.215 61.300 -0.049 0.000 1.353 632 I CB -0.303 37.536 38.000 -0.268 0.000 1.054 632 I HN -0.059 nan 8.210 nan 0.000 0.407 633 I N 0.843 121.353 120.570 -0.101 0.000 2.361 633 I HA -0.285 3.886 4.170 0.001 0.000 0.251 633 I C 1.813 177.887 176.117 -0.073 0.000 1.133 633 I CA 1.633 62.842 61.300 -0.151 0.000 1.413 633 I CB -0.541 37.042 38.000 -0.695 0.000 1.073 633 I HN 0.179 nan 8.210 nan 0.000 0.424 634 D N -0.189 120.172 120.400 -0.065 0.000 2.312 634 D HA -0.144 4.496 4.640 0.001 0.000 0.211 634 D C 2.120 178.406 176.300 -0.024 0.000 0.964 634 D CA 0.649 54.629 54.000 -0.034 0.000 0.877 634 D CB -0.013 40.775 40.800 -0.019 0.000 0.924 634 D HN 0.278 nan 8.370 nan 0.000 0.515 635 K N 0.378 120.773 120.400 -0.008 0.000 2.007 635 K HA -0.055 4.266 4.320 0.001 0.000 0.206 635 K C 1.871 178.448 176.600 -0.038 0.000 1.047 635 K CA 0.694 56.981 56.287 -0.001 0.000 0.937 635 K CB -0.034 32.489 32.500 0.037 0.000 0.718 635 K HN -0.145 nan 8.250 nan 0.000 0.438 636 V N 0.250 120.123 119.914 -0.068 0.000 2.407 636 V HA -0.029 4.092 4.120 0.001 0.000 0.248 636 V C 0.869 176.833 176.094 -0.218 0.000 1.055 636 V CA 1.335 63.518 62.300 -0.194 0.000 1.049 636 V CB -0.841 30.744 31.823 -0.398 0.000 0.662 636 V HN 0.703 nan 8.190 nan 0.000 0.455 637 G N -0.230 108.481 108.800 -0.147 0.000 3.225 637 G HA2 -0.147 3.813 3.960 0.001 0.000 0.686 637 G HA3 -0.147 3.813 3.960 0.001 0.000 0.686 637 G C 0.062 174.880 174.900 -0.137 0.000 1.105 637 G CA 0.102 45.125 45.100 -0.128 0.000 0.831 637 G HN 0.295 nan 8.290 nan 0.000 0.578 638 E N 0.642 120.832 120.200 -0.017 0.000 2.268 638 E HA -0.109 4.242 4.350 0.001 0.000 0.195 638 E C 2.530 179.167 176.600 0.061 0.000 0.995 638 E CA 1.512 57.979 56.400 0.111 0.000 0.836 638 E CB -0.010 29.745 29.700 0.092 0.000 0.763 638 E HN 0.801 nan 8.360 nan 0.000 0.491 639 S N -0.011 115.661 115.700 -0.046 0.000 2.555 639 S HA 0.003 4.474 4.470 0.001 0.000 0.230 639 S C 1.492 176.003 174.600 -0.149 0.000 0.978 639 S CA 0.191 58.356 58.200 -0.059 0.000 0.934 639 S CB 0.087 63.253 63.200 -0.056 0.000 0.766 639 S HN 0.092 nan 8.310 nan 0.000 0.533 640 K N 0.748 120.943 120.400 -0.342 0.000 2.366 640 K HA 0.209 4.529 4.320 0.001 0.000 0.198 640 K C -0.365 175.910 176.600 -0.541 0.000 1.044 640 K CA 0.211 56.188 56.287 -0.517 0.000 0.973 640 K CB -0.203 31.824 32.500 -0.789 0.000 0.767 640 K HN 0.513 nan 8.250 nan 0.000 0.475 641 F N 1.968 121.909 119.950 -0.015 0.000 2.411 641 F HA 0.229 4.757 4.527 0.001 0.000 0.350 641 F C 1.709 177.500 175.800 -0.015 0.000 1.114 641 F CA -0.833 57.187 58.000 0.034 0.000 1.135 641 F CB 1.014 40.102 39.000 0.146 0.000 1.120 641 F HN -0.082 nan 8.300 nan 0.000 0.495 642 R N 0.407 120.932 120.500 0.041 0.000 2.153 642 R HA 0.058 4.399 4.340 0.001 0.000 0.218 642 R C -0.802 175.468 176.300 -0.051 0.000 1.072 642 R CA 0.886 56.937 56.100 -0.082 0.000 0.990 642 R CB -0.387 29.765 30.300 -0.248 0.000 0.889 642 R HN 0.672 nan 8.270 nan 0.000 0.452 643 D N -2.206 118.181 120.400 -0.021 0.000 2.622 643 D HA 0.088 4.729 4.640 0.001 0.000 0.255 643 D C -0.020 176.282 176.300 0.004 0.000 1.246 643 D CA -0.720 53.280 54.000 -0.001 0.000 0.795 643 D CB 1.038 41.804 40.800 -0.056 0.000 1.369 643 D HN -0.208 nan 8.370 nan 0.000 0.425 644 T N 0.128 114.613 114.554 -0.116 0.000 2.653 644 T HA -0.216 4.134 4.350 0.001 0.000 0.268 644 T C 1.421 175.612 174.700 -0.847 0.000 1.035 644 T CA 2.233 64.045 62.100 -0.480 0.000 1.154 644 T CB -0.566 67.844 68.868 -0.763 0.000 0.862 644 T HN 0.583 nan 8.240 nan 0.000 0.441 645 N N -0.080 118.340 118.700 -0.467 0.000 2.272 645 N HA -0.122 4.618 4.740 0.001 0.000 0.185 645 N C 1.570 176.942 175.510 -0.231 0.000 1.014 645 N CA 1.089 53.923 53.050 -0.359 0.000 0.870 645 N CB -0.136 38.284 38.487 -0.112 0.000 0.975 645 N HN 0.467 nan 8.380 nan 0.000 0.433 646 H N -1.115 117.821 119.070 -0.223 0.000 2.403 646 H HA 0.013 4.569 4.556 0.001 0.000 0.298 646 H C 1.589 176.866 175.328 -0.085 0.000 1.059 646 H CA 1.524 57.561 56.048 -0.019 0.000 1.363 646 H CB -0.352 29.534 29.762 0.206 0.000 1.410 646 H HN 0.488 nan 8.280 nan 0.000 0.528 647 W N -0.172 120.896 121.300 -0.388 0.000 2.467 647 W HA 0.006 4.667 4.660 0.001 0.000 0.275 647 W C 0.946 177.275 176.519 -0.316 0.000 1.239 647 W CA 0.625 57.412 57.345 -0.930 0.000 1.266 647 W CB -0.981 27.683 29.460 -1.326 0.000 1.112 647 W HN -0.078 nan 8.180 nan 0.000 0.576 648 V N 2.300 121.779 119.914 -0.725 0.000 2.358 648 V HA -0.284 3.836 4.120 0.001 0.000 0.246 648 V C 2.399 178.379 176.094 -0.191 0.000 1.047 648 V CA 2.462 64.405 62.300 -0.594 0.000 1.035 648 V CB -0.830 30.503 31.823 -0.816 0.000 0.658 648 V HN 0.004 nan 8.190 nan 0.000 0.452 649 D N -0.374 119.934 120.400 -0.154 0.000 2.084 649 D HA -0.198 4.442 4.640 0.001 0.000 0.194 649 D C 1.942 178.285 176.300 0.071 0.000 0.990 649 D CA 1.528 55.495 54.000 -0.055 0.000 0.826 649 D CB -0.342 40.401 40.800 -0.095 0.000 0.971 649 D HN 0.425 nan 8.370 nan 0.000 0.453 650 F N 1.664 121.633 119.950 0.032 0.000 2.091 650 F HA -0.200 4.327 4.527 0.001 0.000 0.299 650 F C 2.260 178.159 175.800 0.165 0.000 1.103 650 F CA 1.262 59.351 58.000 0.147 0.000 1.228 650 F CB -0.576 38.585 39.000 0.269 0.000 0.984 650 F HN -0.101 nan 8.300 nan 0.000 0.477 651 L N -0.003 121.209 121.223 -0.018 0.000 2.046 651 L HA -0.226 4.115 4.340 0.001 0.000 0.208 651 L C 2.353 179.222 176.870 -0.002 0.000 1.077 651 L CA 1.744 56.541 54.840 -0.071 0.000 0.747 651 L CB -0.826 41.332 42.059 0.165 0.000 0.896 651 L HN 0.225 nan 8.230 nan 0.000 0.432 652 D N 0.512 120.914 120.400 0.004 0.000 2.092 652 D HA -0.270 4.370 4.640 0.001 0.000 0.193 652 D C 2.127 178.435 176.300 0.014 0.000 0.994 652 D CA 1.609 55.613 54.000 0.007 0.000 0.828 652 D CB 0.060 40.847 40.800 -0.022 0.000 0.963 652 D HN 0.082 nan 8.370 nan 0.000 0.450 653 K N -1.217 119.180 120.400 -0.005 0.000 2.103 653 K HA -0.167 4.153 4.320 0.001 0.000 0.207 653 K C 2.241 178.832 176.600 -0.015 0.000 1.048 653 K CA 1.068 57.354 56.287 -0.002 0.000 0.930 653 K CB -0.509 32.011 32.500 0.033 0.000 0.716 653 K HN 0.173 nan 8.250 nan 0.000 0.444 654 F N 0.675 120.475 119.950 -0.251 0.000 2.234 654 F HA -0.024 4.503 4.527 0.001 0.000 0.299 654 F C 1.806 177.569 175.800 -0.062 0.000 1.087 654 F CA 1.138 59.000 58.000 -0.231 0.000 1.340 654 F CB -0.196 38.515 39.000 -0.481 0.000 1.031 654 F HN 0.079 nan 8.300 nan 0.000 0.500 655 A N 0.566 123.498 122.820 0.186 0.000 1.872 655 A HA -0.107 4.214 4.320 0.001 0.000 0.214 655 A C 2.395 180.024 177.584 0.076 0.000 1.187 655 A CA 1.308 53.481 52.037 0.227 0.000 0.614 655 A CB -0.765 18.421 19.000 0.310 0.000 0.826 655 A HN 0.401 nan 8.150 nan 0.000 0.442 656 R N -0.113 120.408 120.500 0.035 0.000 2.092 656 R HA -0.126 4.214 4.340 0.001 0.000 0.231 656 R C 1.575 177.838 176.300 -0.062 0.000 1.119 656 R CA 1.835 57.934 56.100 -0.002 0.000 0.970 656 R CB -0.112 30.187 30.300 -0.003 0.000 0.864 656 R HN 0.690 nan 8.270 nan 0.000 0.440 657 E N -0.977 119.160 120.200 -0.105 0.000 2.389 657 E HA 0.081 4.431 4.350 0.001 0.000 0.199 657 E C 0.299 176.773 176.600 -0.211 0.000 0.978 657 E CA -0.108 56.214 56.400 -0.131 0.000 0.912 657 E CB 0.511 30.156 29.700 -0.092 0.000 0.907 657 E HN 0.058 nan 8.360 nan 0.000 0.494 661 P HA -0.181 nan 4.420 nan 0.000 0.216 661 P C 1.073 178.208 177.300 -0.275 0.000 1.157 661 P CA 2.861 65.835 63.100 -0.210 0.000 0.880 661 P CB -0.091 31.482 31.700 -0.211 0.000 0.791 662 A N -1.256 121.278 122.820 -0.476 0.000 1.933 662 A HA -0.181 4.139 4.320 0.001 0.000 0.218 662 A C 2.216 179.570 177.584 -0.383 0.000 1.175 662 A CA 1.432 53.138 52.037 -0.552 0.000 0.628 662 A CB -1.568 16.730 19.000 -1.169 0.000 0.814 662 A HN 0.113 nan 8.150 nan 0.000 0.444 663 I N -0.612 119.736 120.570 -0.370 0.000 2.110 663 I HA -0.232 3.939 4.170 0.001 0.000 0.236 663 I C 2.138 178.169 176.117 -0.143 0.000 1.068 663 I CA 1.954 63.073 61.300 -0.301 0.000 1.333 663 I CB -0.394 37.434 38.000 -0.287 0.000 1.054 663 I HN 0.279 nan 8.210 nan 0.000 0.402 664 D N 0.124 120.523 120.400 -0.002 0.000 2.384 664 D HA -0.167 4.473 4.640 0.001 0.000 0.222 664 D C 2.187 178.526 176.300 0.065 0.000 0.976 664 D CA 0.699 54.804 54.000 0.175 0.000 0.915 664 D CB 0.053 40.951 40.800 0.163 0.000 0.896 664 D HN 0.076 nan 8.370 nan 0.000 0.523 665 R N -1.143 119.330 120.500 -0.045 0.000 2.140 665 R HA 0.082 4.422 4.340 0.001 0.000 0.213 665 R C 2.087 178.373 176.300 -0.024 0.000 1.059 665 R CA 0.871 56.936 56.100 -0.059 0.000 1.000 665 R CB -0.001 30.237 30.300 -0.103 0.000 0.910 665 R HN 0.186 nan 8.270 nan 0.000 0.455 666 G N -0.420 108.347 108.800 -0.055 0.000 2.511 666 G HA2 -0.168 3.793 3.960 0.001 0.000 0.217 666 G HA3 -0.168 3.793 3.960 0.001 0.000 0.217 666 G C 0.911 175.950 174.900 0.233 0.000 1.133 666 G CA 0.089 45.207 45.100 0.029 0.000 0.792 666 G HN 0.185 nan 8.290 nan 0.000 0.539 667 F N 0.808 120.875 119.950 0.195 0.000 2.416 667 F HA 0.271 4.799 4.527 0.001 0.000 0.296 667 F C 2.647 178.449 175.800 0.003 0.000 1.099 667 F CA 0.059 58.146 58.000 0.146 0.000 1.427 667 F CB 0.008 39.207 39.000 0.331 0.000 1.079 667 F HN -0.043 nan 8.300 nan 0.000 0.536 668 R N 0.559 121.083 120.500 0.040 0.000 2.073 668 R HA -0.105 4.235 4.340 0.001 0.000 0.234 668 R C 1.279 177.583 176.300 0.007 0.000 1.134 668 R CA 0.626 56.641 56.100 -0.142 0.000 0.952 668 R CB -0.628 29.572 30.300 -0.166 0.000 0.850 668 R HN 0.355 nan 8.270 nan 0.000 0.433 672 E N 0.059 120.289 120.200 0.049 0.000 2.072 672 E HA -0.074 4.277 4.350 0.001 0.000 0.190 672 E C 0.870 177.537 176.600 0.112 0.000 0.982 672 E CA 0.693 57.133 56.400 0.067 0.000 0.803 672 E CB -0.260 29.478 29.700 0.063 0.000 0.755 672 E HN 0.632 nan 8.360 nan 0.000 0.453 676 N N 0.103 118.832 118.700 0.047 0.000 2.445 676 N HA 0.167 4.908 4.740 0.001 0.000 0.264 676 N C 0.960 176.482 175.510 0.020 0.000 1.227 676 N CA -0.562 52.504 53.050 0.026 0.000 0.963 676 N CB 1.300 39.795 38.487 0.014 0.000 1.188 676 N HN 0.208 nan 8.380 nan 0.000 0.491 677 K N 0.310 120.705 120.400 -0.008 0.000 2.148 677 K HA -0.095 4.226 4.320 0.001 0.000 0.204 677 K C 0.130 176.727 176.600 -0.005 0.000 1.050 677 K CA 1.265 57.552 56.287 -0.001 0.000 0.942 677 K CB 0.237 32.725 32.500 -0.020 0.000 0.724 677 K HN 0.566 nan 8.250 nan 0.000 0.446 678 Q N -0.798 118.987 119.800 -0.024 0.000 2.472 678 Q HA 0.058 4.398 4.340 0.001 0.000 0.281 678 Q C -1.957 174.050 176.000 0.011 0.000 0.997 678 Q CA -0.863 54.939 55.803 -0.003 0.000 0.828 678 Q CB 1.336 30.047 28.738 -0.045 0.000 1.443 678 Q HN 0.259 nan 8.270 nan 0.000 0.390 679 H N 3.191 122.245 119.070 -0.026 0.000 2.705 679 H HA 0.556 5.113 4.556 0.001 0.000 0.291 679 H C -1.334 173.919 175.328 -0.125 0.000 1.085 679 H CA 0.303 56.340 56.048 -0.017 0.000 1.357 679 H CB 0.107 29.929 29.762 0.100 0.000 1.419 679 H HN 0.485 nan 8.280 nan 0.000 0.462 685 R N 0.651 121.320 120.500 0.281 0.000 2.583 685 R HA 0.059 4.399 4.340 0.001 0.000 0.274 685 R C -0.219 175.996 176.300 -0.142 0.000 0.998 685 R CA 0.546 56.575 56.100 -0.118 0.000 1.081 685 R CB 0.985 31.203 30.300 -0.136 0.000 0.940 685 R HN 0.727 nan 8.270 nan 0.000 0.413 686 E N 2.560 122.599 120.200 -0.270 0.000 2.225 686 E HA 0.351 4.702 4.350 0.001 0.000 0.202 686 E C -0.698 175.833 176.600 -0.115 0.000 0.987 686 E CA 0.748 57.068 56.400 -0.133 0.000 1.010 686 E CB 0.120 29.758 29.700 -0.104 0.000 1.464 686 E HN 0.697 nan 8.360 nan 0.000 0.508 687 A N 0.549 123.303 122.820 -0.109 0.000 2.337 687 A HA 0.704 5.024 4.320 0.001 0.000 0.331 687 A C -0.803 176.786 177.584 0.009 0.000 1.137 687 A CA -0.542 51.489 52.037 -0.010 0.000 0.807 687 A CB 0.705 19.762 19.000 0.096 0.000 1.250 687 A HN 0.301 nan 8.150 nan 0.000 0.468 688 I N 1.246 121.872 120.570 0.092 0.000 2.406 688 I HA 0.609 4.780 4.170 0.001 0.000 0.290 688 I C 0.255 176.591 176.117 0.366 0.000 0.999 688 I CA -0.248 61.175 61.300 0.203 0.000 1.124 688 I CB 1.842 39.937 38.000 0.159 0.000 1.289 688 I HN 0.765 nan 8.210 nan 0.000 0.441 689 A N 4.362 127.472 122.820 0.482 0.000 2.515 689 A HA 1.029 5.350 4.320 0.001 0.000 0.296 689 A C -0.449 177.542 177.584 0.677 0.000 1.094 689 A CA -0.465 51.905 52.037 0.555 0.000 0.718 689 A CB 2.111 21.306 19.000 0.324 0.000 1.307 689 A HN 0.912 nan 8.150 nan 0.000 0.408 690 G N -0.076 109.135 108.800 0.685 0.000 2.316 690 G HA2 0.568 4.529 3.960 0.001 0.000 0.296 690 G HA3 0.568 4.529 3.960 0.001 0.000 0.296 690 G C -3.576 171.634 174.900 0.517 0.000 1.399 690 G CA -0.442 44.848 45.100 0.317 0.000 0.833 690 G HN 0.638 nan 8.290 nan 0.000 0.565 691 P HA 0.387 nan 4.420 nan 0.000 0.276 691 P C -2.749 174.840 177.300 0.482 0.000 1.244 691 P CA -1.338 61.930 63.100 0.279 0.000 0.801 691 P CB 0.577 32.317 31.700 0.067 0.000 1.006 692 P HA 0.058 nan 4.420 nan 0.000 0.269 692 P C -0.064 177.409 177.300 0.288 0.000 1.209 692 P CA -0.140 63.246 63.100 0.476 0.000 0.776 692 P CB 0.142 32.096 31.700 0.423 0.000 0.876 693 L N 3.203 124.577 121.223 0.252 0.000 2.559 693 L HA 0.250 4.590 4.340 0.001 0.000 0.274 693 L C 1.380 178.345 176.870 0.158 0.000 1.205 693 L CA 1.682 56.663 54.840 0.235 0.000 0.907 693 L CB -1.258 40.946 42.059 0.243 0.000 1.153 693 L HN 0.780 nan 8.230 nan 0.000 0.490 694 G N 2.392 111.271 108.800 0.132 0.000 2.143 694 G HA2 -0.253 3.708 3.960 0.001 0.000 0.249 694 G HA3 -0.253 3.708 3.960 0.001 0.000 0.249 694 G C 0.231 175.187 174.900 0.094 0.000 0.981 694 G CA 0.396 45.556 45.100 0.100 0.000 0.665 694 G HN 1.141 nan 8.290 nan 0.000 0.528 695 S N -1.201 114.564 115.700 0.107 0.000 2.690 695 S HA 0.705 5.175 4.470 0.001 0.000 0.291 695 S C 0.829 175.475 174.600 0.078 0.000 1.138 695 S CA -0.344 57.916 58.200 0.100 0.000 1.013 695 S CB 1.845 65.124 63.200 0.132 0.000 1.053 695 S HN 0.210 nan 8.310 nan 0.000 0.539 696 K N 0.698 121.139 120.400 0.069 0.000 2.458 696 K HA 0.154 4.474 4.320 0.001 0.000 0.194 696 K C 1.021 177.654 176.600 0.056 0.000 1.024 696 K CA 0.106 56.426 56.287 0.055 0.000 1.108 696 K CB -0.324 32.207 32.500 0.051 0.000 0.846 696 K HN 0.757 nan 8.250 nan 0.000 0.518 697 G N 2.074 110.917 108.800 0.071 0.000 2.491 697 G HA2 0.218 4.178 3.960 0.001 0.000 0.242 697 G HA3 0.218 4.178 3.960 0.001 0.000 0.242 697 G C 0.443 175.376 174.900 0.056 0.000 1.266 697 G CA -0.521 44.624 45.100 0.075 0.000 0.844 697 G HN 0.224 nan 8.290 nan 0.000 0.571 698 I N -0.148 120.462 120.570 0.067 0.000 3.432 698 I HA 0.678 4.848 4.170 0.001 0.000 0.291 698 I C 1.395 177.548 176.117 0.061 0.000 1.127 698 I CA -0.474 60.862 61.300 0.059 0.000 0.962 698 I CB 0.966 39.024 38.000 0.098 0.000 1.550 698 I HN 0.472 nan 8.210 nan 0.000 0.736 699 G N -0.196 108.641 108.800 0.061 0.000 2.490 699 G HA2 0.543 4.504 3.960 0.001 0.000 0.211 699 G HA3 0.543 4.504 3.960 0.001 0.000 0.211 699 G C 0.452 175.422 174.900 0.116 0.000 1.159 699 G CA 0.426 45.564 45.100 0.063 0.000 0.819 699 G HN 1.153 nan 8.290 nan 0.000 0.539 700 G N -1.295 107.609 108.800 0.174 0.000 2.342 700 G HA2 0.546 4.506 3.960 0.001 0.000 0.297 700 G HA3 0.546 4.506 3.960 0.001 0.000 0.297 700 G C -1.475 173.586 174.900 0.268 0.000 1.313 700 G CA -0.381 44.765 45.100 0.076 0.000 0.830 700 G HN 0.759 nan 8.290 nan 0.000 0.506 701 F N -2.840 117.165 119.950 0.091 0.000 2.685 701 F HA 0.890 5.417 4.527 0.001 0.000 0.315 701 F C -1.596 174.261 175.800 0.095 0.000 1.126 701 F CA -1.957 56.183 58.000 0.233 0.000 0.950 701 F CB 1.675 40.748 39.000 0.122 0.000 1.360 701 F HN 0.549 nan 8.300 nan 0.000 0.469 702 W N 1.865 123.338 121.300 0.289 0.000 2.683 702 W HA 0.310 4.971 4.660 0.001 0.000 0.329 702 W C 0.207 176.864 176.519 0.229 0.000 1.037 702 W CA -0.181 57.206 57.345 0.071 0.000 1.232 702 W CB 2.796 32.148 29.460 -0.179 0.000 1.390 702 W HN 0.884 nan 8.180 nan 0.000 0.465 703 T N 0.048 114.784 114.554 0.303 0.000 3.040 703 T HA 0.411 4.761 4.350 0.001 0.000 0.252 703 T C 0.667 175.491 174.700 0.205 0.000 1.064 703 T CA 0.877 63.142 62.100 0.275 0.000 1.110 703 T CB 1.152 70.178 68.868 0.264 0.000 0.921 703 T HN 0.509 nan 8.240 nan 0.000 0.480 704 G N 0.320 109.231 108.800 0.186 0.000 2.341 704 G HA2 0.394 4.354 3.960 0.001 0.000 0.299 704 G HA3 0.394 4.354 3.960 0.001 0.000 0.299 704 G C -1.829 173.160 174.900 0.149 0.000 1.274 704 G CA -1.214 43.981 45.100 0.159 0.000 0.853 704 G HN 0.226 nan 8.290 nan 0.000 0.493 705 K N 0.860 121.360 120.400 0.166 0.000 2.489 705 K HA 0.162 4.483 4.320 0.001 0.000 0.278 705 K C 0.253 176.957 176.600 0.173 0.000 1.000 705 K CA 0.728 57.158 56.287 0.238 0.000 1.012 705 K CB 0.303 32.934 32.500 0.219 0.000 0.903 705 K HN 0.623 nan 8.250 nan 0.000 0.485 706 K N 1.208 121.757 120.400 0.248 0.000 3.048 706 K HA -0.254 4.066 4.320 0.001 0.000 0.274 706 K C -0.625 175.927 176.600 -0.080 0.000 1.098 706 K CA 1.090 57.467 56.287 0.149 0.000 0.807 706 K CB -0.808 31.764 32.500 0.120 0.000 1.217 706 K HN 0.569 nan 8.250 nan 0.000 0.477 707 R N 0.363 120.803 120.500 -0.101 0.000 2.507 707 R HA 0.370 4.710 4.340 0.001 0.000 0.298 707 R C -0.895 175.170 176.300 -0.391 0.000 1.087 707 R CA -0.743 55.211 56.100 -0.245 0.000 0.917 707 R CB 0.984 31.254 30.300 -0.051 0.000 1.173 707 R HN 0.248 nan 8.270 nan 0.000 0.472 708 Y N -1.142 118.704 120.300 -0.757 0.000 2.774 708 Y HA 0.750 5.301 4.550 0.001 0.000 0.346 708 Y C -2.016 173.195 175.900 -1.149 0.000 1.222 708 Y CA -1.369 55.999 58.100 -1.221 0.000 1.088 708 Y CB 1.158 38.215 38.460 -2.339 0.000 1.354 708 Y HN 0.525 nan 8.280 nan 0.000 0.455 709 A N 1.871 124.007 122.820 -1.140 0.000 2.486 709 A HA 0.870 5.191 4.320 0.001 0.000 0.300 709 A C -2.060 175.172 177.584 -0.587 0.000 1.048 709 A CA -0.853 50.676 52.037 -0.848 0.000 0.696 709 A CB 1.502 19.936 19.000 -0.944 0.000 1.278 709 A HN 0.794 nan 8.150 nan 0.000 0.405 710 L N 1.113 122.151 121.223 -0.307 0.000 2.388 710 L HA 0.476 4.817 4.340 0.001 0.000 0.264 710 L C -0.409 176.404 176.870 -0.094 0.000 0.998 710 L CA -0.923 53.844 54.840 -0.121 0.000 0.817 710 L CB 2.445 44.519 42.059 0.024 0.000 1.338 710 L HN 0.779 nan 8.230 nan 0.000 0.414 711 N N 1.465 120.137 118.700 -0.046 0.000 2.558 711 N HA 0.330 5.071 4.740 0.001 0.000 0.233 711 N C -1.118 174.294 175.510 -0.164 0.000 1.038 711 N CA -0.275 52.691 53.050 -0.141 0.000 0.934 711 N CB 0.852 39.271 38.487 -0.114 0.000 1.175 711 N HN 0.286 nan 8.380 nan 0.000 0.512 712 V N 3.900 123.730 119.914 -0.141 0.000 2.498 712 V HA 0.161 4.282 4.120 0.001 0.000 0.279 712 V C 0.401 176.460 176.094 -0.059 0.000 1.048 712 V CA -0.264 62.039 62.300 0.006 0.000 0.967 712 V CB 0.920 32.839 31.823 0.159 0.000 0.988 712 V HN 0.761 nan 8.190 nan 0.000 0.473 713 W N 1.076 122.459 121.300 0.138 0.000 2.808 713 W HA 0.269 4.929 4.660 0.001 0.000 0.266 713 W C 0.889 177.338 176.519 -0.117 0.000 1.247 713 W CA 0.072 57.450 57.345 0.056 0.000 1.440 713 W CB 0.564 29.955 29.460 -0.115 0.000 1.040 713 W HN 0.567 nan 8.180 nan 0.000 0.606 717 G N 0.661 109.407 108.800 -0.091 0.000 2.308 717 G HA2 -0.273 3.688 3.960 0.001 0.000 0.221 717 G HA3 -0.273 3.688 3.960 0.001 0.000 0.221 717 G C 0.572 175.405 174.900 -0.112 0.000 1.032 717 G CA 0.134 45.184 45.100 -0.082 0.000 0.623 717 G HN 0.195 nan 8.290 nan 0.000 0.506 718 T N 1.991 116.453 114.554 -0.153 0.000 2.769 718 T HA 0.474 4.824 4.350 0.001 0.000 0.293 718 T C 0.396 174.901 174.700 -0.325 0.000 0.931 718 T CA 0.193 62.180 62.100 -0.188 0.000 1.139 718 T CB 1.258 70.023 68.868 -0.172 0.000 0.881 718 T HN 0.476 nan 8.240 nan 0.000 0.532 719 R N 3.629 124.016 120.500 -0.187 0.000 2.205 719 R HA 0.250 4.590 4.340 0.001 0.000 0.342 719 R C -1.003 175.264 176.300 -0.054 0.000 1.058 719 R CA -0.599 55.410 56.100 -0.152 0.000 0.904 719 R CB -0.460 29.801 30.300 -0.064 0.000 1.089 719 R HN 0.454 nan 8.270 nan 0.000 0.471 720 Y N 2.397 122.728 120.300 0.050 0.000 2.597 720 Y HA 0.060 4.611 4.550 0.001 0.000 0.336 720 Y C 1.610 177.546 175.900 0.060 0.000 1.216 720 Y CA 0.299 58.420 58.100 0.034 0.000 1.463 720 Y CB 0.366 38.825 38.460 -0.001 0.000 1.303 720 Y HN 0.762 nan 8.280 nan 0.000 0.576 721 A N 1.679 124.629 122.820 0.217 0.000 1.898 721 A HA -0.091 4.230 4.320 0.001 0.000 0.216 721 A C 0.633 178.304 177.584 0.145 0.000 1.181 721 A CA 1.404 53.524 52.037 0.139 0.000 0.620 721 A CB -0.220 18.833 19.000 0.088 0.000 0.819 721 A HN 0.672 nan 8.150 nan 0.000 0.442 722 E N -0.772 119.490 120.200 0.103 0.000 2.256 722 E HA 0.468 4.818 4.350 0.001 0.000 0.267 722 E C -2.823 173.740 176.600 -0.060 0.000 0.892 722 E CA -2.712 53.711 56.400 0.039 0.000 0.775 722 E CB 1.900 31.587 29.700 -0.022 0.000 1.207 722 E HN 0.084 nan 8.360 nan 0.000 0.420 723 P HA 0.069 nan 4.420 nan 0.000 0.269 723 P C -1.006 176.050 177.300 -0.406 0.000 1.209 723 P CA 0.038 62.781 63.100 -0.594 0.000 0.776 723 P CB 0.532 31.395 31.700 -1.394 0.000 0.876 724 K N 2.840 123.011 120.400 -0.380 0.000 2.307 724 K HA 0.402 4.722 4.320 0.001 0.000 0.263 724 K C 0.131 176.567 176.600 -0.273 0.000 0.973 724 K CA -0.902 55.153 56.287 -0.386 0.000 0.846 724 K CB 1.408 33.504 32.500 -0.672 0.000 1.100 724 K HN 0.451 nan 8.250 nan 0.000 0.438 725 L N 2.709 123.790 121.223 -0.237 0.000 2.456 725 L HA 0.123 4.463 4.340 0.001 0.000 0.272 725 L C 0.485 177.248 176.870 -0.177 0.000 1.189 725 L CA 0.389 55.109 54.840 -0.199 0.000 0.846 725 L CB 0.200 42.150 42.059 -0.182 0.000 1.111 725 L HN 0.475 nan 8.230 nan 0.000 0.475 726 K N 4.908 125.207 120.400 -0.169 0.000 2.535 726 K HA 0.581 4.901 4.320 0.001 0.000 0.253 726 K C -1.130 175.322 176.600 -0.246 0.000 0.953 726 K CA -0.410 55.790 56.287 -0.145 0.000 0.863 726 K CB 1.055 33.528 32.500 -0.045 0.000 1.111 726 K HN 0.486 nan 8.250 nan 0.000 0.431 730 L N 1.869 122.981 121.223 -0.184 0.000 2.482 730 L HA 0.177 4.517 4.340 0.001 0.000 0.273 730 L C 1.938 178.824 176.870 0.027 0.000 1.228 730 L CA -0.513 54.299 54.840 -0.047 0.000 0.827 730 L CB 0.507 42.442 42.059 -0.207 0.000 1.099 730 L HN 0.152 nan 8.230 nan 0.000 0.494 731 E N -0.074 120.215 120.200 0.147 0.000 2.171 731 E HA -0.232 4.119 4.350 0.001 0.000 0.197 731 E C 1.772 178.415 176.600 0.072 0.000 0.997 731 E CA 1.639 58.097 56.400 0.097 0.000 0.810 731 E CB -0.736 29.027 29.700 0.104 0.000 0.738 731 E HN 0.770 nan 8.360 nan 0.000 0.467 732 T N 0.861 115.467 114.554 0.086 0.000 2.822 732 T HA -0.153 4.197 4.350 0.001 0.000 0.270 732 T C 1.363 176.059 174.700 -0.006 0.000 1.064 732 T CA 1.332 63.454 62.100 0.037 0.000 1.131 732 T CB 0.026 68.889 68.868 -0.009 0.000 0.858 732 T HN 0.089 nan 8.240 nan 0.000 0.483 733 Q N 0.243 120.025 119.800 -0.030 0.000 2.282 733 Q HA 0.243 4.583 4.340 0.001 0.000 0.206 733 Q C 0.302 176.290 176.000 -0.021 0.000 0.878 733 Q CA 0.272 56.049 55.803 -0.042 0.000 0.944 733 Q CB 0.489 29.174 28.738 -0.087 0.000 1.100 733 Q HN 0.473 nan 8.270 nan 0.000 0.509 734 K N 0.947 121.342 120.400 -0.007 0.000 2.156 734 K HA 0.206 4.526 4.320 0.001 0.000 0.271 734 K C 1.021 177.619 176.600 -0.002 0.000 0.995 734 K CA -0.008 56.275 56.287 -0.007 0.000 0.890 734 K CB 1.449 33.944 32.500 -0.008 0.000 1.073 734 K HN -0.028 nan 8.250 nan 0.000 0.454 735 S N 0.288 115.981 115.700 -0.010 0.000 2.474 735 S HA -0.148 4.322 4.470 0.001 0.000 0.235 735 S C 1.648 176.234 174.600 -0.022 0.000 0.997 735 S CA 1.406 59.597 58.200 -0.016 0.000 0.949 735 S CB -0.241 62.942 63.200 -0.028 0.000 0.766 735 S HN 0.626 nan 8.310 nan 0.000 0.517 736 S N 0.363 116.047 115.700 -0.027 0.000 2.489 736 S HA 0.079 4.549 4.470 0.001 0.000 0.228 736 S C 0.770 175.366 174.600 -0.005 0.000 0.995 736 S CA 0.081 58.260 58.200 -0.036 0.000 0.934 736 S CB -0.788 62.380 63.200 -0.054 0.000 0.771 736 S HN 0.422 nan 8.310 nan 0.000 0.522 737 T N 5.526 120.088 114.554 0.013 0.000 2.884 737 T HA 0.332 4.682 4.350 0.001 0.000 0.298 737 T C -2.548 172.186 174.700 0.056 0.000 0.998 737 T CA -1.203 60.921 62.100 0.039 0.000 1.124 737 T CB 0.986 69.884 68.868 0.050 0.000 0.931 737 T HN 0.240 nan 8.240 nan 0.000 0.531 738 P HA 0.112 nan 4.420 nan 0.000 0.269 738 P C 0.793 178.144 177.300 0.084 0.000 1.209 738 P CA -0.440 62.706 63.100 0.077 0.000 0.776 738 P CB 0.826 32.588 31.700 0.103 0.000 0.876 739 K N 2.735 123.176 120.400 0.067 0.000 2.034 739 K HA -0.206 4.114 4.320 0.001 0.000 0.214 739 K C 2.003 178.650 176.600 0.078 0.000 1.051 739 K CA 2.311 58.640 56.287 0.069 0.000 0.931 739 K CB -1.398 31.137 32.500 0.059 0.000 0.715 739 K HN 0.577 nan 8.250 nan 0.000 0.446 740 A N 0.822 123.705 122.820 0.105 0.000 1.930 740 A HA -0.095 4.226 4.320 0.001 0.000 0.217 740 A C 2.514 180.167 177.584 0.117 0.000 1.175 740 A CA 1.543 53.671 52.037 0.150 0.000 0.627 740 A CB -0.524 18.620 19.000 0.240 0.000 0.815 740 A HN 0.089 nan 8.150 nan 0.000 0.443 741 V N 0.131 120.140 119.914 0.157 0.000 2.515 741 V HA -0.310 3.811 4.120 0.001 0.000 0.250 741 V C 2.564 178.703 176.094 0.075 0.000 1.058 741 V CA 2.124 64.492 62.300 0.113 0.000 1.064 741 V CB -0.994 30.962 31.823 0.222 0.000 0.675 741 V HN 0.644 nan 8.190 nan 0.000 0.461 742 Q N 0.092 119.937 119.800 0.075 0.000 2.050 742 Q HA -0.223 4.117 4.340 0.001 0.000 0.202 742 Q C 2.339 178.359 176.000 0.034 0.000 0.980 742 Q CA 1.546 57.386 55.803 0.062 0.000 0.840 742 Q CB -0.263 28.504 28.738 0.050 0.000 0.898 742 Q HN 0.609 nan 8.270 nan 0.000 0.424 743 K N 0.446 120.854 120.400 0.012 0.000 2.097 743 K HA -0.103 4.218 4.320 0.001 0.000 0.206 743 K C 2.118 178.696 176.600 -0.038 0.000 1.049 743 K CA 1.168 57.448 56.287 -0.011 0.000 0.933 743 K CB -0.153 32.351 32.500 0.006 0.000 0.717 743 K HN 0.144 nan 8.250 nan 0.000 0.442 744 A N 1.407 124.143 122.820 -0.139 0.000 1.897 744 A HA -0.066 4.255 4.320 0.001 0.000 0.215 744 A C 2.122 179.838 177.584 0.220 0.000 1.181 744 A CA 0.959 52.889 52.037 -0.178 0.000 0.620 744 A CB -0.524 17.592 19.000 -1.473 0.000 0.821 744 A HN 0.127 nan 8.150 nan 0.000 0.443 745 L N -0.551 120.810 121.223 0.230 0.000 2.046 745 L HA -0.198 4.143 4.340 0.001 0.000 0.208 745 L C 2.671 179.656 176.870 0.192 0.000 1.077 745 L CA 1.883 56.901 54.840 0.296 0.000 0.747 745 L CB -0.373 41.858 42.059 0.287 0.000 0.896 745 L HN 0.464 nan 8.230 nan 0.000 0.432 746 K N 0.197 120.647 120.400 0.083 0.000 2.057 746 K HA -0.258 4.063 4.320 0.001 0.000 0.207 746 K C 2.051 178.637 176.600 -0.023 0.000 1.049 746 K CA 1.655 57.942 56.287 0.000 0.000 0.931 746 K CB 0.086 32.565 32.500 -0.035 0.000 0.714 746 K HN 0.061 nan 8.250 nan 0.000 0.440 747 E N 0.574 120.742 120.200 -0.054 0.000 2.110 747 E HA -0.151 4.200 4.350 0.001 0.000 0.193 747 E C 1.784 178.338 176.600 -0.077 0.000 0.988 747 E CA 1.469 57.739 56.400 -0.217 0.000 0.804 747 E CB -0.349 28.947 29.700 -0.673 0.000 0.745 747 E HN 0.369 nan 8.360 nan 0.000 0.458 748 C N -0.076 119.326 119.300 0.169 0.000 2.462 748 C HA -0.024 4.437 4.460 0.001 0.000 0.278 748 C C 2.620 177.704 174.990 0.156 0.000 1.253 748 C CA 0.600 59.779 59.018 0.267 0.000 1.713 748 C CB -1.011 26.928 27.740 0.331 0.000 2.049 748 C HN 0.469 nan 8.230 nan 0.000 0.477 749 I N 0.530 121.175 120.570 0.125 0.000 2.163 749 I HA -0.261 3.910 4.170 0.001 0.000 0.243 749 I C 2.905 179.055 176.117 0.055 0.000 1.085 749 I CA 1.690 63.047 61.300 0.095 0.000 1.347 749 I CB -0.614 37.373 38.000 -0.021 0.000 1.044 749 I HN 0.368 nan 8.210 nan 0.000 0.408 750 R N 1.106 121.602 120.500 -0.007 0.000 2.094 750 R HA -0.158 4.182 4.340 0.001 0.000 0.239 750 R C 1.428 177.730 176.300 0.003 0.000 1.137 750 R CA 1.152 57.231 56.100 -0.035 0.000 0.943 750 R CB -0.055 30.198 30.300 -0.078 0.000 0.850 750 R HN 0.225 nan 8.270 nan 0.000 0.433 754 Q N 0.714 120.553 119.800 0.065 0.000 2.391 754 Q HA 0.183 4.524 4.340 0.001 0.000 0.211 754 Q C -0.078 175.981 176.000 0.098 0.000 0.908 754 Q CA 0.518 56.373 55.803 0.087 0.000 0.920 754 Q CB 1.030 29.795 28.738 0.044 0.000 1.056 754 Q HN 0.493 nan 8.270 nan 0.000 0.523 755 E N -0.626 119.622 120.200 0.080 0.000 2.431 755 E HA 0.521 4.872 4.350 0.001 0.000 0.268 755 E C -0.348 176.297 176.600 0.075 0.000 0.953 755 E CA -0.797 55.650 56.400 0.078 0.000 0.810 755 E CB 1.136 30.878 29.700 0.071 0.000 1.369 755 E HN 0.090 nan 8.360 nan 0.000 0.440 756 G N 0.097 108.938 108.800 0.069 0.000 2.630 756 G HA2 0.021 3.981 3.960 0.001 0.000 0.223 756 G HA3 0.021 3.981 3.960 0.001 0.000 0.223 756 G C 0.609 175.548 174.900 0.065 0.000 1.434 756 G CA 0.126 45.263 45.100 0.062 0.000 1.057 756 G HN 0.727 nan 8.290 nan 0.000 0.570 757 E N -0.805 119.426 120.200 0.052 0.000 2.216 757 E HA -0.076 4.275 4.350 0.001 0.000 0.192 757 E C 1.880 178.517 176.600 0.062 0.000 0.988 757 E CA 1.350 57.779 56.400 0.049 0.000 0.834 757 E CB -0.111 29.602 29.700 0.023 0.000 0.772 757 E HN 0.625 nan 8.360 nan 0.000 0.479 758 E N 0.968 121.204 120.200 0.060 0.000 2.072 758 E HA -0.177 4.173 4.350 0.001 0.000 0.191 758 E C 2.061 178.718 176.600 0.094 0.000 0.985 758 E CA 1.219 57.659 56.400 0.067 0.000 0.801 758 E CB -0.107 29.627 29.700 0.056 0.000 0.750 758 E HN 0.243 nan 8.360 nan 0.000 0.452 759 S N 0.044 115.801 115.700 0.095 0.000 2.400 759 S HA -0.134 4.336 4.470 0.001 0.000 0.232 759 S C 1.918 176.617 174.600 0.164 0.000 1.025 759 S CA 0.878 59.147 58.200 0.115 0.000 0.993 759 S CB -0.279 62.978 63.200 0.096 0.000 0.808 759 S HN 0.446 nan 8.310 nan 0.000 0.478 760 L N 0.748 122.067 121.223 0.160 0.000 2.044 760 L HA -0.090 4.251 4.340 0.001 0.000 0.205 760 L C 2.606 179.634 176.870 0.264 0.000 1.075 760 L CA 1.616 56.585 54.840 0.216 0.000 0.747 760 L CB -0.568 41.584 42.059 0.155 0.000 0.903 760 L HN 0.428 nan 8.230 nan 0.000 0.435 761 Q N -0.326 119.587 119.800 0.189 0.000 2.234 761 Q HA -0.268 4.072 4.340 0.001 0.000 0.206 761 Q C 1.888 178.036 176.000 0.245 0.000 0.980 761 Q CA 1.789 57.710 55.803 0.196 0.000 0.869 761 Q CB -0.036 28.764 28.738 0.102 0.000 0.912 761 Q HN 0.609 nan 8.270 nan 0.000 0.436 762 E N -0.080 120.249 120.200 0.216 0.000 2.015 762 E HA -0.196 4.154 4.350 0.001 0.000 0.191 762 E C 1.646 178.391 176.600 0.242 0.000 0.991 762 E CA 1.014 57.532 56.400 0.198 0.000 0.802 762 E CB -0.183 29.622 29.700 0.174 0.000 0.759 762 E HN 0.382 nan 8.360 nan 0.000 0.447 763 Y N 0.092 120.506 120.300 0.190 0.000 2.274 763 Y HA -0.280 4.271 4.550 0.001 0.000 0.290 763 Y C 2.022 178.097 175.900 0.292 0.000 1.145 763 Y CA 1.176 59.399 58.100 0.204 0.000 1.203 763 Y CB -0.037 38.533 38.460 0.184 0.000 0.984 763 Y HN 0.074 nan 8.280 nan 0.000 0.533 764 F N 1.152 121.126 119.950 0.040 0.000 2.134 764 F HA -0.179 4.349 4.527 0.001 0.000 0.299 764 F C 2.113 177.931 175.800 0.029 0.000 1.097 764 F CA 1.847 59.893 58.000 0.077 0.000 1.264 764 F CB -0.377 38.755 39.000 0.220 0.000 1.001 764 F HN -0.122 nan 8.300 nan 0.000 0.479 765 K N 0.090 120.550 120.400 0.100 0.000 2.057 765 K HA -0.246 4.074 4.320 0.001 0.000 0.207 765 K C 2.125 178.644 176.600 -0.134 0.000 1.049 765 K CA 1.729 58.000 56.287 -0.027 0.000 0.931 765 K CB -0.462 32.085 32.500 0.078 0.000 0.714 765 K HN 0.422 nan 8.250 nan 0.000 0.440 766 E N 0.473 120.614 120.200 -0.098 0.000 2.070 766 E HA -0.228 4.123 4.350 0.001 0.000 0.197 766 E C 1.840 178.325 176.600 -0.192 0.000 1.004 766 E CA 1.246 57.587 56.400 -0.098 0.000 0.805 766 E CB -0.145 29.570 29.700 0.025 0.000 0.744 766 E HN 0.290 nan 8.360 nan 0.000 0.451 767 F N 1.238 120.853 119.950 -0.559 0.000 2.259 767 F HA -0.075 4.452 4.527 0.001 0.000 0.298 767 F C 2.119 177.658 175.800 -0.436 0.000 1.088 767 F CA 1.229 58.897 58.000 -0.553 0.000 1.358 767 F CB 0.187 38.660 39.000 -0.878 0.000 1.040 767 F HN 0.032 nan 8.300 nan 0.000 0.505 768 E N 0.009 119.887 120.200 -0.538 0.000 2.110 768 E HA -0.197 4.153 4.350 0.001 0.000 0.193 768 E C 2.058 178.462 176.600 -0.325 0.000 0.988 768 E CA 0.841 56.947 56.400 -0.489 0.000 0.804 768 E CB -0.020 29.404 29.700 -0.461 0.000 0.745 768 E HN 0.292 nan 8.360 nan 0.000 0.458 769 K N 0.760 121.003 120.400 -0.261 0.000 2.097 769 K HA -0.147 4.174 4.320 0.001 0.000 0.205 769 K C 1.910 178.391 176.600 -0.199 0.000 1.050 769 K CA 1.222 57.398 56.287 -0.185 0.000 0.938 769 K CB -0.049 32.374 32.500 -0.128 0.000 0.718 769 K HN 0.388 nan 8.250 nan 0.000 0.442 770 E N -0.664 119.389 120.200 -0.245 0.000 2.400 770 E HA -0.042 4.309 4.350 0.001 0.000 0.195 770 E C 1.784 178.195 176.600 -0.317 0.000 1.012 770 E CA -0.135 56.126 56.400 -0.231 0.000 0.875 770 E CB -0.410 29.196 29.700 -0.156 0.000 0.859 770 E HN 0.022 nan 8.360 nan 0.000 0.498 771 F N 3.192 122.763 119.950 -0.631 0.000 2.032 771 F HA -0.210 4.317 4.527 0.001 0.000 0.297 771 F C 2.046 177.640 175.800 -0.344 0.000 1.125 771 F CA 1.960 59.574 58.000 -0.644 0.000 1.202 771 F CB -0.111 38.469 39.000 -0.700 0.000 0.958 771 F HN -0.167 nan 8.300 nan 0.000 0.491 772 R N -0.111 120.119 120.500 -0.450 0.000 2.377 772 R HA -0.126 4.214 4.340 0.001 0.000 0.207 772 R C 1.563 177.542 176.300 -0.534 0.000 1.075 772 R CA 0.915 56.547 56.100 -0.780 0.000 1.035 772 R CB -0.320 29.470 30.300 -0.850 0.000 0.857 772 R HN 0.512 nan 8.270 nan 0.000 0.475 773 Q N 0.198 119.786 119.800 -0.355 0.000 2.384 773 Q HA 0.137 4.477 4.340 0.001 0.000 0.207 773 Q C 0.579 176.477 176.000 -0.171 0.000 0.904 773 Q CA 0.272 55.940 55.803 -0.225 0.000 0.933 773 Q CB 0.371 29.006 28.738 -0.171 0.000 1.077 773 Q HN 0.330 nan 8.270 nan 0.000 0.522 774 L N 2.232 123.319 121.223 -0.226 0.000 2.439 774 L HA 0.140 4.481 4.340 0.001 0.000 0.269 774 L C 0.984 177.803 176.870 -0.084 0.000 1.179 774 L CA -0.478 54.268 54.840 -0.156 0.000 0.828 774 L CB 0.105 42.038 42.059 -0.209 0.000 1.106 774 L HN 0.111 nan 8.230 nan 0.000 0.467 775 N N 1.378 120.053 118.700 -0.041 0.000 2.357 775 N HA -0.150 4.590 4.740 0.001 0.000 0.257 775 N C 0.900 176.406 175.510 -0.007 0.000 1.250 775 N CA 0.187 53.239 53.050 0.003 0.000 0.862 775 N CB 0.681 39.153 38.487 -0.024 0.000 1.066 775 N HN 0.648 nan 8.380 nan 0.000 0.468 776 Y N 4.454 124.718 120.300 -0.060 0.000 2.165 776 Y HA -0.150 4.401 4.550 0.001 0.000 0.286 776 Y C 1.906 177.766 175.900 -0.067 0.000 1.155 776 Y CA 1.155 59.214 58.100 -0.069 0.000 1.164 776 Y CB -0.251 38.170 38.460 -0.064 0.000 0.978 776 Y HN 0.531 nan 8.280 nan 0.000 0.513 777 I N 1.320 121.356 120.570 -0.889 0.000 2.361 777 I HA -0.246 3.925 4.170 0.001 0.000 0.251 777 I C 2.519 178.355 176.117 -0.468 0.000 1.133 777 I CA 1.590 62.393 61.300 -0.828 0.000 1.413 777 I CB -0.615 36.938 38.000 -0.745 0.000 1.073 777 I HN 0.510 nan 8.210 nan 0.000 0.424 778 S N 1.399 116.947 115.700 -0.252 0.000 2.481 778 S HA -0.026 4.444 4.470 0.001 0.000 0.231 778 S C 1.597 176.167 174.600 -0.051 0.000 0.996 778 S CA 0.338 58.470 58.200 -0.113 0.000 0.942 778 S CB -0.523 62.651 63.200 -0.045 0.000 0.768 778 S HN 0.677 nan 8.310 nan 0.000 0.520 779 I N -1.549 118.979 120.570 -0.070 0.000 3.927 779 I HA 0.644 4.814 4.170 0.001 0.000 0.332 779 I C 0.325 176.464 176.117 0.038 0.000 1.485 779 I CA -0.899 60.425 61.300 0.041 0.000 1.131 779 I CB 0.091 38.093 38.000 0.004 0.000 1.092 779 I HN 0.199 nan 8.210 nan 0.000 0.410 780 A N 0.978 123.751 122.820 -0.077 0.000 2.306 780 A HA 0.717 5.038 4.320 0.001 0.000 0.314 780 A C 0.384 177.958 177.584 -0.017 0.000 1.164 780 A CA -0.289 51.710 52.037 -0.063 0.000 0.822 780 A CB 0.804 19.670 19.000 -0.224 0.000 1.130 780 A HN 0.367 nan 8.150 nan 0.000 0.496 781 S N -0.294 115.429 115.700 0.039 0.000 2.608 781 S HA 0.484 4.955 4.470 0.001 0.000 0.261 781 S C -0.017 174.605 174.600 0.037 0.000 1.314 781 S CA -0.333 57.891 58.200 0.041 0.000 0.992 781 S CB 0.874 64.099 63.200 0.042 0.000 0.935 781 S HN 0.652 nan 8.310 nan 0.000 0.564 782 V N 0.887 120.794 119.914 -0.012 0.000 2.789 782 V HA 0.802 4.922 4.120 0.001 0.000 0.311 782 V C -0.183 175.828 176.094 -0.138 0.000 1.073 782 V CA -0.490 61.756 62.300 -0.089 0.000 0.921 782 V CB 1.985 33.748 31.823 -0.100 0.000 1.009 782 V HN 0.832 nan 8.190 nan 0.000 0.426 783 S N 1.945 117.528 115.700 -0.195 0.000 2.596 783 S HA 0.659 5.129 4.470 0.001 0.000 0.270 783 S C -0.861 173.604 174.600 -0.226 0.000 1.155 783 S CA -0.422 57.625 58.200 -0.254 0.000 0.827 783 S CB 2.251 65.209 63.200 -0.404 0.000 1.130 783 S HN 0.695 nan 8.310 nan 0.000 0.467 784 S N 1.695 117.259 115.700 -0.227 0.000 2.525 784 S HA 0.645 5.116 4.470 0.001 0.000 0.278 784 S C -0.128 174.465 174.600 -0.012 0.000 1.234 784 S CA -0.357 57.768 58.200 -0.125 0.000 1.058 784 S CB 1.241 64.384 63.200 -0.096 0.000 0.983 784 S HN 0.929 nan 8.310 nan 0.000 0.495 785 A N 4.298 127.104 122.820 -0.023 0.000 2.650 785 A HA 0.444 4.765 4.320 0.001 0.000 0.320 785 A C -0.191 177.355 177.584 -0.064 0.000 1.466 785 A CA -0.723 51.318 52.037 0.007 0.000 1.099 785 A CB -0.338 18.625 19.000 -0.062 0.000 1.136 785 A HN 0.696 nan 8.150 nan 0.000 0.532 786 N N 2.115 120.814 118.700 -0.002 0.000 2.342 786 N HA 0.311 5.051 4.740 0.001 0.000 0.293 786 N C -0.670 174.834 175.510 -0.011 0.000 1.026 786 N CA -0.431 52.563 53.050 -0.093 0.000 0.857 786 N CB 1.288 39.782 38.487 0.011 0.000 1.256 786 N HN 0.487 nan 8.380 nan 0.000 0.484 787 N N 1.026 119.682 118.700 -0.073 0.000 2.771 787 N HA -0.149 4.591 4.740 0.001 0.000 0.249 787 N C 0.879 176.480 175.510 0.152 0.000 1.069 787 N CA 0.287 53.405 53.050 0.113 0.000 0.688 787 N CB -1.282 37.402 38.487 0.328 0.000 0.928 787 N HN 0.635 nan 8.380 nan 0.000 0.551 788 I N 0.105 120.690 120.570 0.025 0.000 2.090 788 I HA -0.263 3.907 4.170 0.001 0.000 0.236 788 I C 2.475 178.642 176.117 0.082 0.000 1.064 788 I CA 1.720 63.041 61.300 0.035 0.000 1.324 788 I CB -0.433 37.554 38.000 -0.021 0.000 1.044 788 I HN 0.392 nan 8.210 nan 0.000 0.399 789 A N 1.185 124.027 122.820 0.038 0.000 1.896 789 A HA -0.365 3.956 4.320 0.001 0.000 0.220 789 A C 2.371 179.968 177.584 0.022 0.000 1.206 789 A CA 2.683 54.737 52.037 0.029 0.000 0.647 789 A CB -0.936 18.074 19.000 0.017 0.000 0.828 789 A HN 0.476 nan 8.150 nan 0.000 0.455 790 K N -2.024 118.382 120.400 0.009 0.000 2.228 790 K HA -0.211 4.110 4.320 0.001 0.000 0.205 790 K C 0.836 177.254 176.600 -0.304 0.000 1.045 790 K CA 2.008 58.210 56.287 -0.142 0.000 0.931 790 K CB -0.275 32.124 32.500 -0.170 0.000 0.727 790 K HN 0.642 nan 8.250 nan 0.000 0.458 791 Y N -0.157 120.141 120.300 -0.003 0.000 2.531 791 Y HA 0.214 4.764 4.550 0.001 0.000 0.249 791 Y C -0.246 175.654 175.900 -0.000 0.000 1.168 791 Y CA -0.813 57.285 58.100 -0.004 0.000 1.226 791 Y CB 0.630 39.075 38.460 -0.026 0.000 1.177 791 Y HN -0.024 nan 8.280 nan 0.000 0.527 792 D N 1.072 121.536 120.400 0.107 0.000 2.313 792 D HA 0.293 4.933 4.640 0.001 0.000 0.239 792 D C -0.874 175.465 176.300 0.065 0.000 1.142 792 D CA 0.126 54.169 54.000 0.071 0.000 0.847 792 D CB 1.407 42.229 40.800 0.038 0.000 1.082 792 D HN -0.124 nan 8.370 nan 0.000 0.480 793 V N 3.641 123.614 119.914 0.098 0.000 2.320 793 V HA 0.421 4.541 4.120 0.001 0.000 0.268 793 V C 0.950 177.140 176.094 0.160 0.000 1.021 793 V CA -0.259 62.103 62.300 0.102 0.000 0.813 793 V CB 1.012 32.892 31.823 0.095 0.000 1.054 793 V HN 0.844 nan 8.190 nan 0.000 0.444 794 G N 3.031 111.902 108.800 0.119 0.000 2.225 794 G HA2 0.064 4.024 3.960 0.001 0.000 0.264 794 G HA3 0.064 4.024 3.960 0.001 0.000 0.264 794 G C 1.085 176.072 174.900 0.145 0.000 1.060 794 G CA 0.464 45.656 45.100 0.152 0.000 0.833 794 G HN 2.168 nan 8.290 nan 0.000 0.498 795 G N -2.567 106.230 108.800 -0.006 0.000 2.148 795 G HA2 -0.131 3.830 3.960 0.001 0.000 0.254 795 G HA3 -0.131 3.830 3.960 0.001 0.000 0.254 795 G C 0.214 174.827 174.900 -0.478 0.000 0.981 795 G CA 0.763 45.721 45.100 -0.237 0.000 0.670 795 G HN 1.383 nan 8.290 nan 0.000 0.528 796 F N 0.846 120.804 119.950 0.012 0.000 2.593 796 F HA 0.602 5.129 4.527 0.001 0.000 0.320 796 F C -1.985 173.827 175.800 0.020 0.000 1.060 796 F CA -2.529 55.478 58.000 0.011 0.000 0.940 796 F CB 2.093 41.098 39.000 0.007 0.000 1.268 796 F HN -0.207 nan 8.300 nan 0.000 0.475 797 P HA 0.116 nan 4.420 nan 0.000 0.263 797 P C -0.147 177.246 177.300 0.155 0.000 1.195 797 P CA 0.207 63.396 63.100 0.148 0.000 0.762 797 P CB 0.463 32.221 31.700 0.097 0.000 0.799 798 G N 4.458 113.360 108.800 0.169 0.000 2.532 798 G HA2 0.437 4.397 3.960 0.001 0.000 0.291 798 G HA3 0.437 4.397 3.960 0.001 0.000 0.291 798 G C -2.563 172.427 174.900 0.149 0.000 1.349 798 G CA -1.625 43.555 45.100 0.134 0.000 1.038 798 G HN 0.294 nan 8.290 nan 0.000 0.518 799 P HA 0.154 nan 4.420 nan 0.000 0.264 799 P C -0.125 177.291 177.300 0.192 0.000 1.193 799 P CA 0.433 63.597 63.100 0.107 0.000 0.763 799 P CB 0.491 32.226 31.700 0.057 0.000 0.810 800 K N -0.638 119.868 120.400 0.177 0.000 3.129 800 K HA -0.197 4.123 4.320 0.001 0.000 0.273 800 K C -0.036 176.698 176.600 0.222 0.000 1.123 800 K CA 0.071 56.480 56.287 0.203 0.000 0.800 800 K CB -1.866 30.769 32.500 0.224 0.000 1.238 800 K HN 0.534 nan 8.250 nan 0.000 0.492 801 C N 1.849 121.245 119.300 0.160 0.000 2.657 801 C HA 0.201 4.661 4.460 0.001 0.000 0.404 801 C C -1.517 173.317 174.990 -0.260 0.000 1.369 801 C CA -1.558 57.388 59.018 -0.120 0.000 1.665 801 C CB -0.520 27.229 27.740 0.014 0.000 2.453 801 C HN 0.220 nan 8.230 nan 0.000 0.599 802 P HA -0.029 nan 4.420 nan 0.000 0.267 802 P C 0.531 177.746 177.300 -0.142 0.000 1.195 802 P CA 0.287 63.229 63.100 -0.264 0.000 0.773 802 P CB 0.214 31.669 31.700 -0.409 0.000 0.837 803 F N 2.606 122.522 119.950 -0.056 0.000 2.134 803 F HA -0.266 4.261 4.527 0.001 0.000 0.299 803 F C 2.416 178.209 175.800 -0.011 0.000 1.097 803 F CA 1.820 59.817 58.000 -0.005 0.000 1.264 803 F CB -0.264 38.769 39.000 0.055 0.000 1.001 803 F HN 0.483 nan 8.300 nan 0.000 0.479 804 H N -0.566 118.578 119.070 0.125 0.000 2.428 804 H HA -0.061 4.495 4.556 0.001 0.000 0.296 804 H C 2.228 177.501 175.328 -0.092 0.000 1.062 804 H CA 1.484 57.544 56.048 0.021 0.000 1.350 804 H CB -1.031 28.754 29.762 0.038 0.000 1.403 804 H HN 0.261 nan 8.280 nan 0.000 0.533 805 I N 1.517 121.628 120.570 -0.765 0.000 2.394 805 I HA -0.175 3.996 4.170 0.001 0.000 0.251 805 I C 2.799 178.749 176.117 -0.278 0.000 1.136 805 I CA 0.887 61.878 61.300 -0.514 0.000 1.425 805 I CB -0.761 36.882 38.000 -0.594 0.000 1.079 805 I HN 0.262 nan 8.210 nan 0.000 0.425 806 R N 1.428 121.755 120.500 -0.288 0.000 2.075 806 R HA -0.105 4.236 4.340 0.001 0.000 0.232 806 R C 2.364 178.541 176.300 -0.206 0.000 1.126 806 R CA 1.572 57.541 56.100 -0.219 0.000 0.963 806 R CB -0.496 29.645 30.300 -0.265 0.000 0.858 806 R HN 0.313 nan 8.270 nan 0.000 0.435 807 G N 1.408 110.050 108.800 -0.264 0.000 2.442 807 G HA2 -0.234 3.727 3.960 0.001 0.000 0.219 807 G HA3 -0.234 3.727 3.960 0.001 0.000 0.219 807 G C 1.488 176.363 174.900 -0.043 0.000 1.141 807 G CA 0.969 45.971 45.100 -0.163 0.000 0.763 807 G HN 0.298 nan 8.290 nan 0.000 0.554 808 I N 0.283 120.823 120.570 -0.050 0.000 2.202 808 I HA -0.101 4.069 4.170 0.001 0.000 0.242 808 I C 2.674 178.820 176.117 0.048 0.000 1.091 808 I CA 0.615 61.925 61.300 0.017 0.000 1.368 808 I CB -0.249 37.733 38.000 -0.030 0.000 1.058 808 I HN 0.109 nan 8.210 nan 0.000 0.410 809 L N 0.193 121.400 121.223 -0.028 0.000 2.127 809 L HA -0.227 4.113 4.340 0.001 0.000 0.211 809 L C 2.572 179.398 176.870 -0.074 0.000 1.089 809 L CA 1.465 56.269 54.840 -0.059 0.000 0.757 809 L CB -0.985 41.028 42.059 -0.077 0.000 0.899 809 L HN 0.324 nan 8.230 nan 0.000 0.434 810 T N -1.435 113.101 114.554 -0.031 0.000 2.737 810 T HA -0.227 4.124 4.350 0.001 0.000 0.265 810 T C 1.665 176.397 174.700 0.054 0.000 1.038 810 T CA 1.292 63.390 62.100 -0.003 0.000 1.144 810 T CB -0.361 68.511 68.868 0.007 0.000 0.866 810 T HN 0.309 nan 8.240 nan 0.000 0.434 811 Y N 2.891 123.169 120.300 -0.038 0.000 2.097 811 Y HA -0.240 4.310 4.550 0.001 0.000 0.282 811 Y C 2.254 178.155 175.900 0.002 0.000 1.152 811 Y CA 1.514 59.610 58.100 -0.007 0.000 1.136 811 Y CB -0.680 37.796 38.460 0.027 0.000 0.975 811 Y HN 0.078 nan 8.280 nan 0.000 0.498 812 N N 0.448 119.166 118.700 0.029 0.000 2.037 812 N HA -0.239 4.502 4.740 0.001 0.000 0.196 812 N C 1.977 177.395 175.510 -0.155 0.000 1.034 812 N CA 2.003 55.008 53.050 -0.076 0.000 0.861 812 N CB -0.536 37.939 38.487 -0.020 0.000 1.039 812 N HN 0.355 nan 8.380 nan 0.000 0.427 813 R N 0.355 120.765 120.500 -0.150 0.000 2.097 813 R HA -0.051 4.289 4.340 0.001 0.000 0.236 813 R C 2.133 178.357 176.300 -0.127 0.000 1.135 813 R CA 1.711 57.711 56.100 -0.168 0.000 0.934 813 R CB -0.596 29.570 30.300 -0.224 0.000 0.846 813 R HN 0.270 nan 8.270 nan 0.000 0.431 814 A N 0.330 123.099 122.820 -0.085 0.000 2.139 814 A HA -0.140 4.180 4.320 0.001 0.000 0.221 814 A C 1.689 179.185 177.584 -0.146 0.000 1.159 814 A CA 1.252 53.259 52.037 -0.050 0.000 0.662 814 A CB -0.248 18.847 19.000 0.158 0.000 0.796 814 A HN 0.219 nan 8.150 nan 0.000 0.463 815 I N -1.423 118.997 120.570 -0.250 0.000 4.057 815 I HA 0.025 4.196 4.170 0.001 0.000 0.334 815 I C 2.597 178.628 176.117 -0.144 0.000 1.308 815 I CA 0.927 62.077 61.300 -0.251 0.000 1.125 815 I CB -1.090 36.641 38.000 -0.448 0.000 1.034 815 I HN 0.414 nan 8.210 nan 0.000 0.401 816 K N 1.477 121.802 120.400 -0.124 0.000 2.227 816 K HA -0.214 4.107 4.320 0.001 0.000 0.208 816 K C 1.875 178.443 176.600 -0.053 0.000 1.045 816 K CA 2.035 58.273 56.287 -0.082 0.000 0.931 816 K CB -1.497 30.956 32.500 -0.079 0.000 0.721 816 K HN 0.546 nan 8.250 nan 0.000 0.469 817 G N -0.926 107.843 108.800 -0.052 0.000 3.192 817 G HA2 0.152 4.112 3.960 0.001 0.000 0.239 817 G HA3 0.152 4.112 3.960 0.001 0.000 0.239 817 G C 0.198 175.085 174.900 -0.021 0.000 1.084 817 G CA 0.302 45.383 45.100 -0.031 0.000 0.784 817 G HN 0.642 nan 8.290 nan 0.000 0.540 818 N N 0.397 119.081 118.700 -0.028 0.000 2.446 818 N HA 0.287 5.028 4.740 0.001 0.000 0.265 818 N C 0.660 176.173 175.510 0.006 0.000 0.975 818 N CA -0.696 52.348 53.050 -0.011 0.000 0.928 818 N CB 1.344 39.821 38.487 -0.017 0.000 1.160 818 N HN -0.134 nan 8.380 nan 0.000 0.495 819 I N 3.261 123.845 120.570 0.023 0.000 2.546 819 I HA -0.133 4.037 4.170 0.001 0.000 0.255 819 I C 1.469 177.620 176.117 0.057 0.000 1.163 819 I CA 1.080 62.405 61.300 0.042 0.000 1.457 819 I CB -0.051 37.978 38.000 0.048 0.000 1.092 819 I HN 0.670 nan 8.210 nan 0.000 0.434 820 D N 1.111 121.542 120.400 0.051 0.000 2.178 820 D HA 0.011 4.652 4.640 0.001 0.000 0.202 820 D C 1.145 177.492 176.300 0.079 0.000 0.974 820 D CA 0.807 54.846 54.000 0.065 0.000 0.841 820 D CB -0.243 40.591 40.800 0.056 0.000 0.953 820 D HN 0.322 nan 8.370 nan 0.000 0.478 821 A N 2.945 125.804 122.820 0.064 0.000 2.566 821 A HA 0.127 4.448 4.320 0.001 0.000 0.245 821 A C -1.995 175.668 177.584 0.132 0.000 1.056 821 A CA -0.762 51.325 52.037 0.084 0.000 0.757 821 A CB -0.215 18.799 19.000 0.023 0.000 0.979 821 A HN -0.005 nan 8.150 nan 0.000 0.508 822 P HA 0.010 nan 4.420 nan 0.000 0.263 822 P C -0.618 176.816 177.300 0.223 0.000 1.195 822 P CA 0.247 63.454 63.100 0.179 0.000 0.762 822 P CB 0.531 32.336 31.700 0.175 0.000 0.799 823 Q N 1.833 121.718 119.800 0.142 0.000 2.299 823 Q HA 0.267 4.607 4.340 0.001 0.000 0.246 823 Q C -0.017 176.021 176.000 0.063 0.000 0.935 823 Q CA -0.696 55.182 55.803 0.126 0.000 0.887 823 Q CB 1.191 29.966 28.738 0.062 0.000 1.223 823 Q HN 0.267 nan 8.270 nan 0.000 0.439 824 V N 2.848 122.806 119.914 0.073 0.000 2.461 824 V HA 0.166 4.287 4.120 0.001 0.000 0.275 824 V C 0.135 176.195 176.094 -0.057 0.000 1.047 824 V CA -0.329 61.957 62.300 -0.023 0.000 0.955 824 V CB 1.409 33.223 31.823 -0.016 0.000 0.988 824 V HN 0.459 nan 8.190 nan 0.000 0.471 825 V N 3.956 123.806 119.914 -0.107 0.000 2.532 825 V HA 0.323 4.443 4.120 0.001 0.000 0.295 825 V C 0.200 176.213 176.094 -0.134 0.000 1.041 825 V CA -0.888 61.334 62.300 -0.130 0.000 0.926 825 V CB 1.805 33.522 31.823 -0.176 0.000 0.992 825 V HN 0.952 nan 8.190 nan 0.000 0.457 826 E N 2.990 123.107 120.200 -0.137 0.000 2.406 826 E HA 0.352 4.703 4.350 0.001 0.000 0.258 826 E C 1.043 177.514 176.600 -0.216 0.000 1.043 826 E CA 1.201 57.493 56.400 -0.180 0.000 0.929 826 E CB -0.037 29.553 29.700 -0.183 0.000 0.969 826 E HN 1.031 nan 8.360 nan 0.000 0.462 827 G N 3.683 112.344 108.800 -0.232 0.000 2.175 827 G HA2 -0.228 3.732 3.960 0.001 0.000 0.244 827 G HA3 -0.228 3.732 3.960 0.001 0.000 0.244 827 G C 0.193 175.004 174.900 -0.148 0.000 0.982 827 G CA 0.224 45.200 45.100 -0.206 0.000 0.641 827 G HN 0.533 nan 8.290 nan 0.000 0.527 828 E N -0.163 119.949 120.200 -0.146 0.000 2.561 828 E HA 0.605 4.956 4.350 0.001 0.000 0.254 828 E C 0.076 176.583 176.600 -0.155 0.000 1.213 828 E CA -0.513 55.803 56.400 -0.141 0.000 0.995 828 E CB 0.687 30.296 29.700 -0.153 0.000 1.233 828 E HN 0.131 nan 8.360 nan 0.000 0.556 829 K N 0.219 120.504 120.400 -0.192 0.000 2.123 829 K HA 0.373 4.693 4.320 0.001 0.000 0.259 829 K C -0.756 175.624 176.600 -0.367 0.000 0.960 829 K CA -0.576 55.558 56.287 -0.256 0.000 0.872 829 K CB 1.426 33.759 32.500 -0.279 0.000 1.079 829 K HN 0.335 nan 8.250 nan 0.000 0.440 830 V N -0.441 119.242 119.914 -0.385 0.000 3.078 830 V HA 0.584 4.705 4.120 0.001 0.000 0.311 830 V C -1.306 174.441 176.094 -0.579 0.000 1.138 830 V CA -0.970 61.032 62.300 -0.496 0.000 1.007 830 V CB 1.335 32.975 31.823 -0.305 0.000 1.045 830 V HN 0.555 nan 8.190 nan 0.000 0.432 831 Y N 1.428 121.240 120.300 -0.814 0.000 2.307 831 Y HA 0.791 5.341 4.550 0.001 0.000 0.324 831 Y C 0.329 175.829 175.900 -0.667 0.000 1.238 831 Y CA -0.919 56.604 58.100 -0.961 0.000 1.280 831 Y CB 1.847 39.169 38.460 -1.897 0.000 1.248 831 Y HN 0.609 nan 8.280 nan 0.000 0.508 832 V N 4.549 124.387 119.914 -0.126 0.000 2.733 832 V HA 0.415 4.536 4.120 0.001 0.000 0.306 832 V C -1.288 174.919 176.094 0.189 0.000 1.084 832 V CA -0.815 61.537 62.300 0.086 0.000 0.905 832 V CB 2.108 34.022 31.823 0.150 0.000 1.010 832 V HN 0.373 nan 8.190 nan 0.000 0.424 833 L N 6.917 128.307 121.223 0.278 0.000 2.408 833 L HA 0.737 5.078 4.340 0.001 0.000 0.268 833 L C -2.508 174.495 176.870 0.222 0.000 0.986 833 L CA -2.001 52.985 54.840 0.244 0.000 0.820 833 L CB 2.913 45.138 42.059 0.278 0.000 1.303 833 L HN 0.419 nan 8.230 nan 0.000 0.411 834 P HA 0.362 nan 4.420 nan 0.000 0.281 834 P C -1.047 176.354 177.300 0.169 0.000 1.249 834 P CA -0.450 62.801 63.100 0.252 0.000 0.810 834 P CB 1.442 33.301 31.700 0.265 0.000 1.008 835 L N 2.019 123.346 121.223 0.173 0.000 2.334 835 L HA 0.509 4.849 4.340 0.001 0.000 0.272 835 L C 1.373 178.385 176.870 0.237 0.000 1.020 835 L CA -1.129 53.832 54.840 0.203 0.000 0.812 835 L CB 1.310 43.483 42.059 0.190 0.000 1.264 835 L HN 0.292 nan 8.230 nan 0.000 0.439 836 R N 0.479 121.177 120.500 0.331 0.000 2.649 836 R HA 0.176 4.516 4.340 0.001 0.000 0.270 836 R C -0.247 176.240 176.300 0.312 0.000 1.105 836 R CA -0.569 55.727 56.100 0.326 0.000 1.193 836 R CB 0.577 31.098 30.300 0.368 0.000 1.120 836 R HN 0.539 nan 8.270 nan 0.000 0.561 837 E N -0.462 119.888 120.200 0.249 0.000 2.383 837 E HA 0.107 4.458 4.350 0.001 0.000 0.264 837 E C 0.363 177.071 176.600 0.180 0.000 1.050 837 E CA 0.837 57.342 56.400 0.175 0.000 0.896 837 E CB 0.592 30.376 29.700 0.140 0.000 0.982 837 E HN 0.743 nan 8.360 nan 0.000 0.424 838 G N 3.021 111.846 108.800 0.041 0.000 2.160 838 G HA2 -0.323 3.638 3.960 0.001 0.000 0.251 838 G HA3 -0.323 3.638 3.960 0.001 0.000 0.251 838 G C -0.266 174.386 174.900 -0.414 0.000 1.008 838 G CA 0.513 45.581 45.100 -0.053 0.000 0.724 838 G HN 0.736 nan 8.290 nan 0.000 0.514 839 N N -0.146 118.213 118.700 -0.568 0.000 2.513 839 N HA 0.613 5.353 4.740 0.001 0.000 0.274 839 N C -0.523 174.477 175.510 -0.850 0.000 1.189 839 N CA -1.399 50.853 53.050 -1.330 0.000 0.975 839 N CB 1.297 39.426 38.487 -0.597 0.000 1.157 839 N HN 0.056 nan 8.380 nan 0.000 0.465 840 P HA -0.141 nan 4.420 nan 0.000 0.223 840 P C 0.329 177.260 177.300 -0.615 0.000 1.144 840 P CA 1.093 63.767 63.100 -0.710 0.000 0.783 840 P CB -0.057 31.191 31.700 -0.754 0.000 0.771 841 F N 0.293 120.077 119.950 -0.276 0.000 2.661 841 F HA 0.241 4.769 4.527 0.001 0.000 0.298 841 F C 1.971 177.710 175.800 -0.101 0.000 1.137 841 F CA 1.057 58.968 58.000 -0.149 0.000 1.454 841 F CB -1.117 37.823 39.000 -0.101 0.000 1.103 841 F HN 0.047 nan 8.300 nan 0.000 0.577 842 G N 0.485 109.282 108.800 -0.006 0.000 2.198 842 G HA2 -0.257 3.704 3.960 0.001 0.000 0.260 842 G HA3 -0.257 3.704 3.960 0.001 0.000 0.260 842 G C -0.359 174.584 174.900 0.071 0.000 1.025 842 G CA 0.480 45.593 45.100 0.022 0.000 0.769 842 G HN 0.381 nan 8.290 nan 0.000 0.507 843 D N -1.650 118.793 120.400 0.072 0.000 2.653 843 D HA 0.220 4.861 4.640 0.001 0.000 0.258 843 D C 1.300 177.630 176.300 0.049 0.000 1.252 843 D CA -0.167 53.867 54.000 0.057 0.000 0.777 843 D CB 0.502 41.329 40.800 0.044 0.000 1.339 843 D HN 0.149 nan 8.370 nan 0.000 0.422 844 K N -0.722 119.698 120.400 0.033 0.000 2.574 844 K HA 0.107 4.428 4.320 0.001 0.000 0.193 844 K C 0.626 177.258 176.600 0.053 0.000 1.035 844 K CA 0.387 56.717 56.287 0.072 0.000 0.982 844 K CB -0.630 31.945 32.500 0.125 0.000 0.795 844 K HN 0.448 nan 8.250 nan 0.000 0.491 845 C N -1.809 117.453 119.300 -0.063 0.000 3.275 845 C HA 0.749 5.209 4.460 0.001 0.000 0.340 845 C C -1.219 173.714 174.990 -0.095 0.000 1.366 845 C CA -1.468 57.505 59.018 -0.075 0.000 1.227 845 C CB 0.713 28.283 27.740 -0.283 0.000 1.512 845 C HN 0.391 nan 8.230 nan 0.000 0.461 846 I N 0.876 121.428 120.570 -0.030 0.000 2.994 846 I HA 0.819 4.990 4.170 0.001 0.000 0.306 846 I C -0.653 175.546 176.117 0.136 0.000 1.195 846 I CA -0.438 60.859 61.300 -0.004 0.000 1.001 846 I CB 2.175 40.087 38.000 -0.148 0.000 1.244 846 I HN 1.431 nan 8.210 nan 0.000 0.437 847 A N 4.884 127.798 122.820 0.157 0.000 2.488 847 A HA 0.756 5.076 4.320 0.001 0.000 0.298 847 A C -1.891 175.704 177.584 0.017 0.000 1.044 847 A CA -0.446 51.668 52.037 0.128 0.000 0.693 847 A CB 0.893 19.890 19.000 -0.005 0.000 1.272 847 A HN 0.883 nan 8.150 nan 0.000 0.402 848 W N 0.961 122.052 121.300 -0.348 0.000 3.040 848 W HA 0.778 5.439 4.660 0.001 0.000 0.344 848 W C -3.260 173.038 176.519 -0.369 0.000 1.201 848 W CA -2.855 54.098 57.345 -0.653 0.000 1.119 848 W CB 0.348 29.465 29.460 -0.571 0.000 1.478 848 W HN 0.411 nan 8.180 nan 0.000 0.586 849 P HA 0.035 nan 4.420 nan 0.000 0.262 849 P C 0.115 177.103 177.300 -0.520 0.000 1.199 849 P CA 0.387 63.303 63.100 -0.306 0.000 0.763 849 P CB 0.747 32.381 31.700 -0.109 0.000 0.790 850 S N 2.685 117.909 115.700 -0.795 0.000 2.579 850 S HA 0.420 4.890 4.470 0.001 0.000 0.275 850 S C 1.278 175.416 174.600 -0.770 0.000 1.345 850 S CA 0.263 57.657 58.200 -1.342 0.000 1.031 850 S CB 0.018 62.392 63.200 -1.376 0.000 0.892 850 S HN 0.916 nan 8.310 nan 0.000 0.529 851 G N 0.737 109.156 108.800 -0.636 0.000 2.143 851 G HA2 -0.141 3.819 3.960 0.001 0.000 0.249 851 G HA3 -0.141 3.819 3.960 0.001 0.000 0.249 851 G C 0.186 175.139 174.900 0.089 0.000 0.981 851 G CA 0.488 45.470 45.100 -0.197 0.000 0.665 851 G HN 1.922 nan 8.290 nan 0.000 0.528 852 T N -3.053 111.618 114.554 0.194 0.000 2.864 852 T HA 0.678 5.029 4.350 0.001 0.000 0.299 852 T C -0.772 174.196 174.700 0.446 0.000 1.166 852 T CA -0.813 61.442 62.100 0.259 0.000 1.007 852 T CB 2.717 71.705 68.868 0.200 0.000 1.219 852 T HN 0.055 nan 8.240 nan 0.000 0.506 853 E N 0.957 121.343 120.200 0.309 0.000 2.338 853 E HA 0.277 4.627 4.350 0.001 0.000 0.272 853 E C -0.078 176.673 176.600 0.252 0.000 1.029 853 E CA -0.409 56.178 56.400 0.312 0.000 0.872 853 E CB 1.459 31.266 29.700 0.178 0.000 1.015 853 E HN 0.663 nan 8.360 nan 0.000 0.417 854 I N 2.059 122.664 120.570 0.058 0.000 2.710 854 I HA -0.103 4.067 4.170 0.001 0.000 0.286 854 I C 0.877 176.928 176.117 -0.110 0.000 1.181 854 I CA 0.523 61.580 61.300 -0.406 0.000 1.430 854 I CB 0.734 38.117 38.000 -1.029 0.000 1.367 854 I HN 0.341 nan 8.210 nan 0.000 0.577 855 T N 5.252 119.812 114.554 0.010 0.000 2.891 855 T HA -0.109 4.241 4.350 0.001 0.000 0.296 855 T C 1.124 175.820 174.700 -0.007 0.000 1.025 855 T CA 0.064 62.192 62.100 0.047 0.000 1.149 855 T CB 0.137 69.067 68.868 0.104 0.000 1.007 855 T HN 0.718 nan 8.240 nan 0.000 0.528 856 D N 3.731 124.128 120.400 -0.005 0.000 2.203 856 D HA -0.120 4.521 4.640 0.001 0.000 0.199 856 D C 2.106 178.399 176.300 -0.012 0.000 0.997 856 D CA 0.976 54.965 54.000 -0.019 0.000 0.863 856 D CB -0.012 40.782 40.800 -0.009 0.000 0.928 856 D HN 0.601 nan 8.370 nan 0.000 0.458 857 L N 0.396 121.620 121.223 0.001 0.000 2.010 857 L HA -0.218 4.123 4.340 0.001 0.000 0.219 857 L C 2.277 179.155 176.870 0.012 0.000 1.077 857 L CA 1.449 56.290 54.840 0.001 0.000 0.773 857 L CB -0.438 41.618 42.059 -0.005 0.000 0.892 857 L HN 0.198 nan 8.230 nan 0.000 0.436 858 I N -5.163 115.425 120.570 0.031 0.000 4.081 858 I HA 0.072 4.243 4.170 0.001 0.000 0.333 858 I C 1.975 178.125 176.117 0.055 0.000 1.413 858 I CA -0.070 61.293 61.300 0.105 0.000 1.110 858 I CB 0.101 38.238 38.000 0.228 0.000 1.082 858 I HN 0.037 nan 8.210 nan 0.000 0.402 859 K N 1.901 122.268 120.400 -0.055 0.000 2.063 859 K HA -0.203 4.117 4.320 0.001 0.000 0.208 859 K C 1.411 177.930 176.600 -0.135 0.000 1.048 859 K CA 2.410 58.594 56.287 -0.172 0.000 0.928 859 K CB 0.015 32.393 32.500 -0.202 0.000 0.713 859 K HN 0.324 nan 8.250 nan 0.000 0.442 860 D N 0.915 121.286 120.400 -0.049 0.000 2.117 860 D HA -0.151 4.490 4.640 0.001 0.000 0.197 860 D C 1.560 177.916 176.300 0.093 0.000 0.987 860 D CA 1.123 55.117 54.000 -0.010 0.000 0.829 860 D CB -0.339 40.459 40.800 -0.003 0.000 0.961 860 D HN 0.269 nan 8.370 nan 0.000 0.460 861 D N 0.102 120.612 120.400 0.184 0.000 2.097 861 D HA -0.106 4.534 4.640 0.001 0.000 0.195 861 D C 2.338 178.961 176.300 0.538 0.000 0.989 861 D CA 0.490 54.741 54.000 0.418 0.000 0.827 861 D CB -0.355 40.685 40.800 0.400 0.000 0.966 861 D HN 0.039 nan 8.370 nan 0.000 0.456 862 V N 0.868 120.961 119.914 0.299 0.000 2.287 862 V HA -0.244 3.876 4.120 0.001 0.000 0.248 862 V C 2.489 178.590 176.094 0.012 0.000 1.053 862 V CA 1.194 63.527 62.300 0.055 0.000 1.027 862 V CB -0.426 31.238 31.823 -0.265 0.000 0.646 862 V HN 0.143 nan 8.190 nan 0.000 0.447 863 L N -0.478 120.694 121.223 -0.085 0.000 2.131 863 L HA -0.162 4.178 4.340 0.001 0.000 0.210 863 L C 2.411 179.280 176.870 -0.001 0.000 1.092 863 L CA 1.926 56.704 54.840 -0.102 0.000 0.759 863 L CB -1.146 40.816 42.059 -0.161 0.000 0.903 863 L HN 0.483 nan 8.230 nan 0.000 0.435 864 H N -2.243 116.801 119.070 -0.044 0.000 2.448 864 H HA -0.070 4.486 4.556 0.001 0.000 0.292 864 H C 0.323 175.441 175.328 -0.348 0.000 1.035 864 H CA 0.499 56.431 56.048 -0.193 0.000 1.349 864 H CB 0.208 29.819 29.762 -0.251 0.000 1.425 864 H HN 0.193 nan 8.280 nan 0.000 0.539 868 Y N 1.030 121.402 120.300 0.120 0.000 2.128 868 Y HA -0.213 4.337 4.550 0.001 0.000 0.284 868 Y C 2.556 178.578 175.900 0.203 0.000 1.154 868 Y CA 2.036 60.263 58.100 0.211 0.000 1.149 868 Y CB -0.357 38.196 38.460 0.155 0.000 0.976 868 Y HN 0.316 nan 8.280 nan 0.000 0.505 869 T N -0.631 114.087 114.554 0.272 0.000 2.684 869 T HA -0.195 4.156 4.350 0.001 0.000 0.267 869 T C 2.083 176.848 174.700 0.107 0.000 1.036 869 T CA 1.754 63.943 62.100 0.148 0.000 1.148 869 T CB -0.825 68.109 68.868 0.109 0.000 0.863 869 T HN 0.126 nan 8.240 nan 0.000 0.436 870 V N 1.283 121.266 119.914 0.115 0.000 2.427 870 V HA -0.076 4.044 4.120 0.001 0.000 0.248 870 V C 2.372 178.513 176.094 0.079 0.000 1.051 870 V CA 1.030 63.382 62.300 0.086 0.000 1.048 870 V CB -0.663 31.220 31.823 0.099 0.000 0.666 870 V HN 0.285 nan 8.190 nan 0.000 0.456 871 L N -0.257 121.041 121.223 0.125 0.000 1.994 871 L HA -0.143 4.198 4.340 0.001 0.000 0.208 871 L C 2.218 179.141 176.870 0.089 0.000 1.071 871 L CA 1.968 56.899 54.840 0.152 0.000 0.745 871 L CB -0.800 41.414 42.059 0.258 0.000 0.892 871 L HN 0.283 nan 8.230 nan 0.000 0.431 872 L N -0.185 121.018 121.223 -0.034 0.000 1.994 872 L HA -0.215 4.125 4.340 0.001 0.000 0.208 872 L C 2.551 179.383 176.870 -0.063 0.000 1.071 872 L CA 2.271 56.921 54.840 -0.316 0.000 0.745 872 L CB -0.983 40.734 42.059 -0.571 0.000 0.892 872 L HN 0.505 nan 8.230 nan 0.000 0.431 873 E N -0.296 119.891 120.200 -0.020 0.000 2.118 873 E HA -0.274 4.076 4.350 0.001 0.000 0.195 873 E C 2.273 178.860 176.600 -0.022 0.000 0.992 873 E CA 1.758 58.158 56.400 0.001 0.000 0.804 873 E CB -0.249 29.459 29.700 0.014 0.000 0.741 873 E HN 0.457 nan 8.360 nan 0.000 0.458 874 K N -0.984 119.406 120.400 -0.016 0.000 2.116 874 K HA -0.061 4.260 4.320 0.001 0.000 0.203 874 K C 1.914 178.492 176.600 -0.036 0.000 1.052 874 K CA 1.659 57.921 56.287 -0.041 0.000 0.952 874 K CB -0.005 32.464 32.500 -0.052 0.000 0.729 874 K HN 0.392 nan 8.250 nan 0.000 0.446 875 T N -2.603 111.960 114.554 0.015 0.000 3.015 875 T HA 0.036 4.387 4.350 0.001 0.000 0.250 875 T C 1.411 176.163 174.700 0.088 0.000 1.057 875 T CA -0.150 61.978 62.100 0.047 0.000 1.066 875 T CB -0.017 68.914 68.868 0.104 0.000 0.959 875 T HN 0.125 nan 8.240 nan 0.000 0.488 876 F N 1.203 121.101 119.950 -0.087 0.000 2.536 876 F HA 0.478 5.005 4.527 0.001 0.000 0.278 876 F C 1.720 177.425 175.800 -0.157 0.000 0.945 876 F CA -0.402 57.540 58.000 -0.098 0.000 1.244 876 F CB 0.013 38.988 39.000 -0.042 0.000 1.118 876 F HN -0.046 nan 8.300 nan 0.000 0.725 877 I N 0.736 121.203 120.570 -0.172 0.000 2.133 877 I HA -0.276 3.894 4.170 0.001 0.000 0.238 877 I C 2.294 178.161 176.117 -0.416 0.000 1.074 877 I CA 1.396 62.491 61.300 -0.341 0.000 1.342 877 I CB -0.761 37.210 38.000 -0.047 0.000 1.053 877 I HN 0.082 nan 8.210 nan 0.000 0.404 878 K N 0.675 120.924 120.400 -0.252 0.000 2.059 878 K HA -0.190 4.130 4.320 0.001 0.000 0.212 878 K C -0.399 175.979 176.600 -0.369 0.000 1.050 878 K CA 2.050 58.191 56.287 -0.242 0.000 0.927 878 K CB -1.300 31.106 32.500 -0.156 0.000 0.714 878 K HN 0.346 nan 8.250 nan 0.000 0.447 879 P HA -0.138 nan 4.420 nan 0.000 0.223 879 P C 1.384 177.952 177.300 -1.221 0.000 1.151 879 P CA 0.922 63.626 63.100 -0.660 0.000 0.787 879 P CB 0.110 31.520 31.700 -0.483 0.000 0.788 880 L N 0.651 121.243 121.223 -1.051 0.000 2.095 880 L HA -0.022 4.319 4.340 0.001 0.000 0.204 880 L C 2.400 178.800 176.870 -0.783 0.000 1.080 880 L CA 1.802 55.997 54.840 -1.074 0.000 0.759 880 L CB -1.285 40.116 42.059 -1.097 0.000 0.914 880 L HN -0.180 nan 8.230 nan 0.000 0.439 881 E N -0.456 119.352 120.200 -0.654 0.000 2.086 881 E HA -0.246 4.104 4.350 0.001 0.000 0.200 881 E C 2.033 178.484 176.600 -0.248 0.000 1.012 881 E CA 1.276 57.499 56.400 -0.294 0.000 0.812 881 E CB -0.619 28.986 29.700 -0.159 0.000 0.743 881 E HN 0.687 nan 8.360 nan 0.000 0.453 882 G N 0.839 109.431 108.800 -0.346 0.000 2.514 882 G HA2 -0.277 3.684 3.960 0.001 0.000 0.217 882 G HA3 -0.277 3.684 3.960 0.001 0.000 0.217 882 G C 1.173 176.019 174.900 -0.090 0.000 1.198 882 G CA 1.137 46.105 45.100 -0.220 0.000 0.780 882 G HN 0.128 nan 8.290 nan 0.000 0.565 883 F N 2.048 121.867 119.950 -0.218 0.000 2.069 883 F HA -0.110 4.417 4.527 0.001 0.000 0.298 883 F C 3.211 178.688 175.800 -0.538 0.000 1.113 883 F CA 1.510 59.262 58.000 -0.413 0.000 1.214 883 F CB -1.618 37.102 39.000 -0.467 0.000 0.978 883 F HN 0.291 nan 8.300 nan 0.000 0.474 884 T N -2.726 111.725 114.554 -0.172 0.000 2.788 884 T HA -0.166 4.185 4.350 0.001 0.000 0.268 884 T C 2.130 176.766 174.700 -0.106 0.000 1.044 884 T CA 1.542 63.550 62.100 -0.153 0.000 1.139 884 T CB -0.924 67.919 68.868 -0.043 0.000 0.867 884 T HN 0.166 nan 8.240 nan 0.000 0.454 885 S N 1.980 117.636 115.700 -0.074 0.000 2.359 885 S HA 0.044 4.515 4.470 0.001 0.000 0.224 885 S C 2.648 177.235 174.600 -0.023 0.000 1.035 885 S CA 1.107 59.284 58.200 -0.038 0.000 1.018 885 S CB -0.874 62.312 63.200 -0.024 0.000 0.876 885 S HN 0.779 nan 8.310 nan 0.000 0.448 886 A N 1.120 123.933 122.820 -0.013 0.000 1.930 886 A HA 0.198 4.519 4.320 0.001 0.000 0.217 886 A C 2.200 179.805 177.584 0.035 0.000 1.175 886 A CA 1.580 53.649 52.037 0.053 0.000 0.627 886 A CB -0.766 18.319 19.000 0.142 0.000 0.815 886 A HN 0.518 nan 8.150 nan 0.000 0.443 887 A N -1.436 121.333 122.820 -0.084 0.000 2.169 887 A HA 0.238 4.558 4.320 0.001 0.000 0.212 887 A C 0.990 178.548 177.584 -0.043 0.000 1.153 887 A CA 0.832 52.829 52.037 -0.067 0.000 0.756 887 A CB -0.309 18.539 19.000 -0.254 0.000 0.813 887 A HN 0.465 nan 8.150 nan 0.000 0.471 888 K N -1.283 119.088 120.400 -0.049 0.000 3.161 888 K HA -0.151 4.170 4.320 0.001 0.000 0.270 888 K C -0.762 175.814 176.600 -0.041 0.000 1.115 888 K CA 0.744 57.008 56.287 -0.038 0.000 0.789 888 K CB -2.305 30.178 32.500 -0.028 0.000 1.256 888 K HN 0.526 nan 8.250 nan 0.000 0.492 889 L N -0.330 120.862 121.223 -0.052 0.000 2.256 889 L HA 0.552 4.892 4.340 0.001 0.000 0.261 889 L C 0.070 176.909 176.870 -0.051 0.000 1.022 889 L CA -1.178 53.637 54.840 -0.042 0.000 0.828 889 L CB 1.296 43.335 42.059 -0.034 0.000 1.374 889 L HN -0.055 nan 8.230 nan 0.000 0.436 890 D N -0.934 119.428 120.400 -0.063 0.000 2.498 890 D HA 0.219 4.860 4.640 0.001 0.000 0.247 890 D C -0.319 175.905 176.300 -0.127 0.000 1.070 890 D CA -0.273 53.645 54.000 -0.137 0.000 0.842 890 D CB 2.121 42.817 40.800 -0.173 0.000 1.361 890 D HN 0.474 nan 8.370 nan 0.000 0.484 891 Y N -0.208 119.928 120.300 -0.273 0.000 2.517 891 Y HA 0.293 4.843 4.550 0.001 0.000 0.281 891 Y C 0.406 176.081 175.900 -0.376 0.000 1.125 891 Y CA -0.074 57.792 58.100 -0.391 0.000 1.283 891 Y CB 0.097 38.119 38.460 -0.730 0.000 1.042 891 Y HN 0.117 nan 8.280 nan 0.000 0.547 892 E N 1.225 121.066 120.200 -0.599 0.000 2.221 892 E HA 0.274 4.625 4.350 0.001 0.000 0.268 892 E C -1.014 175.465 176.600 -0.201 0.000 0.933 892 E CA -1.210 54.992 56.400 -0.331 0.000 0.809 892 E CB 1.850 31.320 29.700 -0.384 0.000 1.190 892 E HN 0.047 nan 8.360 nan 0.000 0.406 893 K N 1.722 122.069 120.400 -0.089 0.000 2.382 893 K HA 0.067 4.387 4.320 0.001 0.000 0.275 893 K C -0.699 175.858 176.600 -0.070 0.000 1.009 893 K CA -0.025 56.228 56.287 -0.057 0.000 0.970 893 K CB 0.471 32.961 32.500 -0.017 0.000 0.934 893 K HN 0.149 nan 8.250 nan 0.000 0.479 894 K N 2.165 122.533 120.400 -0.054 0.000 2.376 894 K HA 0.298 4.618 4.320 0.001 0.000 0.257 894 K C -0.786 175.809 176.600 -0.008 0.000 0.939 894 K CA -0.659 55.601 56.287 -0.045 0.000 0.809 894 K CB 1.836 34.301 32.500 -0.059 0.000 1.121 894 K HN 0.748 nan 8.250 nan 0.000 0.425 895 A N 1.817 124.639 122.820 0.003 0.000 2.587 895 A HA 0.208 4.529 4.320 0.001 0.000 0.233 895 A C 0.426 178.045 177.584 0.060 0.000 1.049 895 A CA 0.618 52.678 52.037 0.039 0.000 0.754 895 A CB 0.047 19.069 19.000 0.037 0.000 0.977 895 A HN 0.668 nan 8.150 nan 0.000 0.509 896 S N 0.950 116.724 115.700 0.124 0.000 2.651 896 S HA 0.434 4.904 4.470 0.001 0.000 0.279 896 S C 0.565 175.255 174.600 0.150 0.000 1.148 896 S CA -0.113 58.153 58.200 0.111 0.000 0.837 896 S CB 0.976 64.233 63.200 0.094 0.000 1.138 896 S HN 1.362 nan 8.310 nan 0.000 0.478 897 L N 3.223 124.424 121.223 -0.035 0.000 2.353 897 L HA 0.160 4.501 4.340 0.001 0.000 0.220 897 L C 0.765 177.200 176.870 -0.725 0.000 1.133 897 L CA 1.436 56.096 54.840 -0.299 0.000 0.798 897 L CB -0.962 40.959 42.059 -0.229 0.000 0.922 897 L HN 0.879 nan 8.230 nan 0.000 0.445 898 F N 0.000 119.947 119.950 -0.005 0.000 2.286 898 F HA 0.000 4.527 4.527 0.001 0.000 0.279 898 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 898 F CB 0.000 38.999 39.000 -0.002 0.000 1.145 898 F HN 0.000 nan 8.300 nan 0.000 0.574