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 1akl_1_A DATA FIRST_RESID 1 DATA SEQUENCE GRSDAYTQVD NFLHAYARGG DELVNGHPSY TVDQAAEQIL REQASWQKAP DATA SEQUENCE GDSVLTLSYS FLTKPNDFFN TPWKYVSDIY SLGKFSAFSA QQQAQAKLSL DATA SEQUENCE QSWSDVTNIH FVDAGQGDQG DLTFGNFSSS VGGAAFAFLP DVPDALKGQS DATA SEQUENCE WYLINSSYSA NVNPANGNYG RQTLTHEIGH TLGLSHPGDY NAGEGDPTYA DATA SEQUENCE DATYAEDTRA YSVMSYWEEQ NTGQDFKGAY SSAPLLDDIA AIQKLYGANL DATA SEQUENCE TTRTGDTVYG FNSNTERDFY SATSSSSKLV FSVWDAGGND TLDFSGFSQN DATA SEQUENCE QKINLNEKAL SDVGGLKGNV SIAAGVTVEN AIGGSGSDLL IGNDVANVLK DATA SEQUENCE GGAGNDILYG GLGADQLWGG AGADTFVYGD IAESSAAAPD TLRDFVSGQD DATA SEQUENCE KIDLSGLDAF VNGGLVLQYV DAFAGKAGQA ILSYDAASKA GSLAIDFSGD DATA SEQUENCE AHADFAINLI GQATQADIVV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.897 174.900 -0.005 0.000 0.946 1 G CA 0.000 45.104 45.100 0.007 0.000 0.502 2 R N 0.784 121.277 120.500 -0.012 0.000 2.523 2 R HA 0.243 4.583 4.340 0.000 0.000 0.281 2 R C 1.340 177.677 176.300 0.062 0.000 0.969 2 R CA 0.870 56.967 56.100 -0.006 0.000 1.093 2 R CB 0.318 30.645 30.300 0.046 0.000 0.917 2 R HN 0.706 nan 8.270 nan 0.000 0.408 3 S N 0.491 116.248 115.700 0.095 0.000 2.645 3 S HA 0.015 4.485 4.470 0.000 0.000 0.266 3 S C 0.763 175.440 174.600 0.128 0.000 1.258 3 S CA -0.592 57.668 58.200 0.101 0.000 0.990 3 S CB 1.503 64.763 63.200 0.101 0.000 0.967 3 S HN 0.702 nan 8.310 nan 0.000 0.556 4 D N 0.928 121.378 120.400 0.083 0.000 2.144 4 D HA -0.051 4.589 4.640 0.000 0.000 0.200 4 D C 1.976 178.312 176.300 0.059 0.000 0.978 4 D CA 1.531 55.568 54.000 0.062 0.000 0.833 4 D CB -0.507 40.314 40.800 0.036 0.000 0.961 4 D HN 0.649 nan 8.370 nan 0.000 0.470 5 A N -0.510 122.353 122.820 0.073 0.000 1.877 5 A HA -0.181 4.139 4.320 0.000 0.000 0.216 5 A C 2.258 179.887 177.584 0.076 0.000 1.186 5 A CA 1.583 53.657 52.037 0.062 0.000 0.620 5 A CB -1.388 17.659 19.000 0.079 0.000 0.822 5 A HN 0.534 nan 8.150 nan 0.000 0.443 6 Y N 1.042 121.364 120.300 0.038 0.000 2.293 6 Y HA -0.123 4.427 4.550 0.000 0.000 0.291 6 Y C 2.509 178.411 175.900 0.004 0.000 1.137 6 Y CA 2.028 60.154 58.100 0.042 0.000 1.202 6 Y CB -0.434 38.069 38.460 0.072 0.000 0.990 6 Y HN 0.298 nan 8.280 nan 0.000 0.537 7 T N 0.453 115.046 114.554 0.065 0.000 2.821 7 T HA -0.188 4.162 4.350 0.000 0.000 0.267 7 T C 1.674 176.311 174.700 -0.105 0.000 1.046 7 T CA 1.720 63.819 62.100 -0.002 0.000 1.139 7 T CB -0.158 68.750 68.868 0.067 0.000 0.871 7 T HN 0.477 nan 8.240 nan 0.000 0.454 8 Q N 0.268 120.016 119.800 -0.087 0.000 2.124 8 Q HA -0.064 4.276 4.340 0.000 0.000 0.202 8 Q C 2.555 178.466 176.000 -0.148 0.000 0.977 8 Q CA 1.075 56.821 55.803 -0.095 0.000 0.850 8 Q CB -0.362 28.331 28.738 -0.075 0.000 0.901 8 Q HN 0.351 nan 8.270 nan 0.000 0.429 9 V N 1.243 121.012 119.914 -0.242 0.000 2.261 9 V HA -0.264 3.857 4.120 0.000 0.000 0.246 9 V C 1.853 177.672 176.094 -0.458 0.000 1.047 9 V CA 2.160 64.250 62.300 -0.349 0.000 1.015 9 V CB -0.553 30.970 31.823 -0.502 0.000 0.642 9 V HN 0.373 nan 8.190 nan 0.000 0.446 10 D N 0.057 120.114 120.400 -0.571 0.000 2.123 10 D HA -0.174 4.466 4.640 0.000 0.000 0.196 10 D C 1.967 177.967 176.300 -0.500 0.000 0.992 10 D CA 1.382 55.047 54.000 -0.559 0.000 0.833 10 D CB -0.150 40.419 40.800 -0.385 0.000 0.954 10 D HN 0.347 nan 8.370 nan 0.000 0.455 11 N N -0.582 117.965 118.700 -0.254 0.000 2.084 11 N HA -0.149 4.591 4.740 0.000 0.000 0.190 11 N C 1.550 176.980 175.510 -0.134 0.000 1.030 11 N CA 0.618 53.588 53.050 -0.133 0.000 0.849 11 N CB -0.629 37.826 38.487 -0.054 0.000 1.012 11 N HN 0.228 nan 8.380 nan 0.000 0.423 12 F N 1.462 121.254 119.950 -0.265 0.000 2.234 12 F HA 0.096 4.623 4.527 0.000 0.000 0.299 12 F C 2.027 177.688 175.800 -0.232 0.000 1.087 12 F CA 0.512 58.382 58.000 -0.217 0.000 1.340 12 F CB -0.306 38.597 39.000 -0.162 0.000 1.031 12 F HN -0.039 nan 8.300 nan 0.000 0.500 13 L N -0.773 120.217 121.223 -0.389 0.000 2.261 13 L HA -0.233 4.108 4.340 0.000 0.000 0.216 13 L C 1.464 178.128 176.870 -0.343 0.000 1.114 13 L CA 1.058 55.628 54.840 -0.450 0.000 0.777 13 L CB -0.499 41.200 42.059 -0.599 0.000 0.910 13 L HN 0.210 nan 8.230 nan 0.000 0.440 14 H N -1.649 117.314 119.070 -0.178 0.000 2.672 14 H HA 0.380 4.936 4.556 0.000 0.000 0.277 14 H C 0.771 175.990 175.328 -0.182 0.000 1.074 14 H CA -0.045 55.920 56.048 -0.137 0.000 1.173 14 H CB -0.195 29.514 29.762 -0.089 0.000 1.558 14 H HN 0.151 nan 8.280 nan 0.000 0.539 15 A N 0.349 123.015 122.820 -0.257 0.000 2.425 15 A HA 0.227 4.547 4.320 0.000 0.000 0.242 15 A C -0.440 176.951 177.584 -0.322 0.000 1.077 15 A CA -0.194 51.577 52.037 -0.444 0.000 0.781 15 A CB -0.296 18.259 19.000 -0.741 0.000 1.020 15 A HN 0.402 nan 8.150 nan 0.000 0.494 16 Y N -2.254 118.042 120.300 -0.006 0.000 3.078 16 Y HA -0.137 4.414 4.550 0.000 0.000 0.202 16 Y C 0.987 176.932 175.900 0.075 0.000 1.322 16 Y CA 0.223 58.361 58.100 0.064 0.000 1.118 16 Y CB -2.435 36.067 38.460 0.070 0.000 1.343 16 Y HN 1.031 nan 8.280 nan 0.000 0.499 17 A N 1.201 124.103 122.820 0.137 0.000 2.425 17 A HA 0.735 5.055 4.320 0.000 0.000 0.249 17 A C 0.617 178.263 177.584 0.104 0.000 1.084 17 A CA -0.368 51.728 52.037 0.100 0.000 0.781 17 A CB 0.576 19.609 19.000 0.054 0.000 1.019 17 A HN 0.459 nan 8.150 nan 0.000 0.490 18 R N 0.342 120.888 120.500 0.076 0.000 2.795 18 R HA 0.618 4.958 4.340 0.000 0.000 0.275 18 R C 0.778 177.111 176.300 0.055 0.000 0.981 18 R CA -0.169 55.965 56.100 0.057 0.000 0.917 18 R CB 1.813 32.121 30.300 0.014 0.000 1.202 18 R HN 1.547 nan 8.270 nan 0.000 0.469 19 G N 0.477 109.320 108.800 0.073 0.000 2.179 19 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 19 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 19 G C 0.501 175.436 174.900 0.057 0.000 0.977 19 G CA -0.030 45.110 45.100 0.067 0.000 0.641 19 G HN 0.902 nan 8.290 nan 0.000 0.533 20 G N -0.200 108.633 108.800 0.054 0.000 2.484 20 G HA2 0.376 4.336 3.960 0.000 0.000 0.235 20 G HA3 0.376 4.336 3.960 0.000 0.000 0.235 20 G C 0.675 175.604 174.900 0.048 0.000 1.282 20 G CA 0.437 45.560 45.100 0.040 0.000 0.857 20 G HN 0.192 nan 8.290 nan 0.000 0.571 21 D N -0.113 120.308 120.400 0.034 0.000 2.351 21 D HA -0.075 4.565 4.640 0.000 0.000 0.216 21 D C 1.437 177.761 176.300 0.040 0.000 0.968 21 D CA 0.727 54.749 54.000 0.037 0.000 0.899 21 D CB 0.346 41.160 40.800 0.024 0.000 0.907 21 D HN 0.675 nan 8.370 nan 0.000 0.514 22 E N 1.067 121.290 120.200 0.038 0.000 2.371 22 E HA 0.036 4.386 4.350 0.000 0.000 0.257 22 E C -0.453 176.176 176.600 0.048 0.000 1.134 22 E CA -0.501 55.921 56.400 0.036 0.000 0.919 22 E CB 1.264 30.982 29.700 0.030 0.000 1.025 22 E HN -0.110 nan 8.360 nan 0.000 0.438 23 L N 2.341 123.586 121.223 0.037 0.000 2.255 23 L HA 0.178 4.518 4.340 0.000 0.000 0.289 23 L C -0.694 176.200 176.870 0.040 0.000 1.046 23 L CA -0.565 54.296 54.840 0.036 0.000 0.816 23 L CB 1.220 43.283 42.059 0.007 0.000 1.197 23 L HN 0.355 nan 8.230 nan 0.000 0.427 24 V N 5.295 125.251 119.914 0.072 0.000 2.407 24 V HA 0.301 4.422 4.120 0.000 0.000 0.278 24 V C 0.505 176.664 176.094 0.109 0.000 1.037 24 V CA -0.811 61.545 62.300 0.094 0.000 0.900 24 V CB 1.073 32.971 31.823 0.126 0.000 0.983 24 V HN 0.858 nan 8.190 nan 0.000 0.459 25 N N 3.917 122.671 118.700 0.090 0.000 2.710 25 N HA -0.221 4.519 4.740 0.000 0.000 0.249 25 N C 1.206 176.613 175.510 -0.172 0.000 1.059 25 N CA 1.330 54.428 53.050 0.080 0.000 0.720 25 N CB -1.049 37.645 38.487 0.345 0.000 0.983 25 N HN 1.499 nan 8.380 nan 0.000 0.544 26 G N -1.338 107.357 108.800 -0.174 0.000 2.168 26 G HA2 -0.339 3.621 3.960 0.000 0.000 0.257 26 G HA3 -0.339 3.621 3.960 0.000 0.000 0.257 26 G C -0.154 174.493 174.900 -0.421 0.000 0.997 26 G CA 1.112 46.034 45.100 -0.297 0.000 0.708 26 G HN 0.818 nan 8.290 nan 0.000 0.520 27 H N 0.001 119.031 119.070 -0.065 0.000 2.690 27 H HA 0.525 5.081 4.556 0.000 0.000 0.368 27 H C -2.382 172.926 175.328 -0.033 0.000 1.150 27 H CA -1.992 54.004 56.048 -0.087 0.000 1.174 27 H CB 2.534 32.193 29.762 -0.172 0.000 1.684 27 H HN 0.082 nan 8.280 nan 0.000 0.538 28 P HA -0.019 nan 4.420 nan 0.000 0.271 28 P C -0.381 176.977 177.300 0.096 0.000 1.218 28 P CA -0.202 62.967 63.100 0.115 0.000 0.780 28 P CB 1.194 32.996 31.700 0.170 0.000 0.901 29 S N 2.441 118.234 115.700 0.156 0.000 2.475 29 S HA 0.385 4.855 4.470 0.000 0.000 0.281 29 S C -0.854 173.930 174.600 0.307 0.000 1.198 29 S CA -0.367 57.935 58.200 0.169 0.000 1.063 29 S CB -0.422 62.855 63.200 0.128 0.000 0.972 29 S HN 0.163 nan 8.310 nan 0.000 0.486 30 Y N 2.387 122.719 120.300 0.052 0.000 2.457 30 Y HA 0.400 4.950 4.550 0.000 0.000 0.333 30 Y C 1.341 177.194 175.900 -0.077 0.000 1.119 30 Y CA -1.537 56.522 58.100 -0.068 0.000 1.143 30 Y CB 1.253 39.541 38.460 -0.287 0.000 1.230 30 Y HN 0.748 nan 8.280 nan 0.000 0.469 31 T N -2.341 112.240 114.554 0.046 0.000 2.770 31 T HA 0.276 4.626 4.350 0.000 0.000 0.281 31 T C 1.319 176.008 174.700 -0.018 0.000 0.981 31 T CA -0.580 61.521 62.100 0.002 0.000 0.955 31 T CB 0.441 69.296 68.868 -0.022 0.000 1.060 31 T HN 0.298 nan 8.240 nan 0.000 0.531 32 V N 1.109 121.019 119.914 -0.005 0.000 2.332 32 V HA -0.159 3.961 4.120 0.000 0.000 0.248 32 V C 2.555 178.639 176.094 -0.016 0.000 1.055 32 V CA 2.111 64.416 62.300 0.009 0.000 1.038 32 V CB -0.790 31.060 31.823 0.046 0.000 0.651 32 V HN 0.866 nan 8.190 nan 0.000 0.450 33 D N -0.610 119.769 120.400 -0.035 0.000 2.117 33 D HA -0.178 4.463 4.640 0.000 0.000 0.198 33 D C 2.273 178.500 176.300 -0.121 0.000 0.982 33 D CA 1.225 55.189 54.000 -0.060 0.000 0.828 33 D CB -0.080 40.688 40.800 -0.052 0.000 0.967 33 D HN 0.535 nan 8.370 nan 0.000 0.464 34 Q N 0.590 120.278 119.800 -0.187 0.000 2.124 34 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 34 Q C 2.211 178.016 176.000 -0.325 0.000 0.977 34 Q CA 1.278 56.864 55.803 -0.363 0.000 0.850 34 Q CB -0.065 28.294 28.738 -0.632 0.000 0.901 34 Q HN 0.190 nan 8.270 nan 0.000 0.429 35 A N 0.983 123.676 122.820 -0.213 0.000 1.898 35 A HA -0.083 4.237 4.320 0.000 0.000 0.216 35 A C 2.293 179.824 177.584 -0.087 0.000 1.181 35 A CA 1.444 53.342 52.037 -0.232 0.000 0.620 35 A CB -0.743 18.207 19.000 -0.083 0.000 0.819 35 A HN 0.392 nan 8.150 nan 0.000 0.442 36 A N -0.293 122.494 122.820 -0.055 0.000 1.902 36 A HA -0.162 4.158 4.320 0.000 0.000 0.217 36 A C 1.918 179.467 177.584 -0.058 0.000 1.181 36 A CA 1.750 53.770 52.037 -0.029 0.000 0.623 36 A CB -0.457 18.528 19.000 -0.025 0.000 0.818 36 A HN 0.432 nan 8.150 nan 0.000 0.443 37 E N -0.573 119.571 120.200 -0.094 0.000 2.110 37 E HA -0.231 4.119 4.350 0.000 0.000 0.193 37 E C 2.110 178.653 176.600 -0.096 0.000 0.988 37 E CA 1.649 57.988 56.400 -0.101 0.000 0.804 37 E CB -0.307 29.317 29.700 -0.128 0.000 0.745 37 E HN 0.772 nan 8.360 nan 0.000 0.458 38 Q N 0.687 120.433 119.800 -0.091 0.000 2.083 38 Q HA -0.015 4.325 4.340 0.000 0.000 0.198 38 Q C 2.056 178.025 176.000 -0.051 0.000 0.969 38 Q CA 1.030 56.801 55.803 -0.054 0.000 0.838 38 Q CB -0.237 28.514 28.738 0.022 0.000 0.900 38 Q HN 0.286 nan 8.270 nan 0.000 0.436 39 I N -0.106 120.461 120.570 -0.006 0.000 2.614 39 I HA -0.167 4.003 4.170 0.000 0.000 0.258 39 I C 1.110 177.198 176.117 -0.048 0.000 1.189 39 I CA 0.719 62.022 61.300 0.004 0.000 1.462 39 I CB 0.055 38.082 38.000 0.044 0.000 1.092 39 I HN 0.212 nan 8.210 nan 0.000 0.442 40 L N 0.734 121.916 121.223 -0.069 0.000 2.700 40 L HA 0.134 4.474 4.340 0.000 0.000 0.234 40 L C 2.298 179.109 176.870 -0.098 0.000 1.156 40 L CA -0.067 54.723 54.840 -0.084 0.000 0.946 40 L CB -0.367 41.640 42.059 -0.087 0.000 1.216 40 L HN 0.269 nan 8.230 nan 0.000 0.493 41 R N -0.099 120.321 120.500 -0.133 0.000 2.170 41 R HA -0.174 4.166 4.340 0.000 0.000 0.242 41 R C 1.331 177.566 176.300 -0.108 0.000 1.145 41 R CA 1.173 57.179 56.100 -0.156 0.000 0.984 41 R CB -0.280 29.819 30.300 -0.334 0.000 0.869 41 R HN 0.316 nan 8.270 nan 0.000 0.455 42 E N 1.064 121.206 120.200 -0.096 0.000 2.347 42 E HA -0.128 4.222 4.350 0.000 0.000 0.196 42 E C 0.170 176.742 176.600 -0.048 0.000 1.008 42 E CA 0.507 56.873 56.400 -0.056 0.000 0.852 42 E CB 0.088 29.755 29.700 -0.056 0.000 0.783 42 E HN 0.436 nan 8.360 nan 0.000 0.505 43 Q N -1.552 118.213 119.800 -0.059 0.000 2.494 43 Q HA -0.199 4.141 4.340 0.000 0.000 0.272 43 Q C -0.418 175.546 176.000 -0.059 0.000 1.145 43 Q CA 0.391 56.160 55.803 -0.056 0.000 0.943 43 Q CB -1.767 26.947 28.738 -0.040 0.000 1.338 43 Q HN 0.197 nan 8.270 nan 0.000 0.492 44 A N 0.861 123.642 122.820 -0.065 0.000 2.306 44 A HA 0.819 5.139 4.320 0.000 0.000 0.314 44 A C 0.318 177.866 177.584 -0.061 0.000 1.164 44 A CA 0.489 52.480 52.037 -0.076 0.000 0.822 44 A CB 1.221 20.170 19.000 -0.086 0.000 1.130 44 A HN 0.614 nan 8.150 nan 0.000 0.496 45 S N 0.240 115.903 115.700 -0.061 0.000 2.578 45 S HA 0.574 5.044 4.470 0.000 0.000 0.272 45 S C -1.354 173.280 174.600 0.055 0.000 1.145 45 S CA -0.832 57.409 58.200 0.068 0.000 0.835 45 S CB 0.095 63.333 63.200 0.062 0.000 1.104 45 S HN 0.712 nan 8.310 nan 0.000 0.458 46 W N 1.192 122.601 121.300 0.181 0.000 2.303 46 W HA 0.558 5.218 4.660 0.000 0.000 0.334 46 W C 0.341 176.916 176.519 0.093 0.000 1.197 46 W CA -0.150 57.239 57.345 0.075 0.000 1.262 46 W CB 0.683 30.127 29.460 -0.027 0.000 1.153 46 W HN 0.513 nan 8.180 nan 0.000 0.596 47 Q N 2.199 122.167 119.800 0.280 0.000 2.307 47 Q HA 0.192 4.532 4.340 0.000 0.000 0.262 47 Q C -0.465 175.622 176.000 0.145 0.000 0.961 47 Q CA -1.014 54.893 55.803 0.173 0.000 0.882 47 Q CB 1.723 30.521 28.738 0.100 0.000 1.264 47 Q HN 0.405 nan 8.270 nan 0.000 0.446 48 K N 1.425 121.888 120.400 0.104 0.000 2.412 48 K HA 0.292 4.612 4.320 0.000 0.000 0.284 48 K C -0.210 176.413 176.600 0.038 0.000 1.046 48 K CA -0.128 56.188 56.287 0.049 0.000 0.999 48 K CB 0.512 33.035 32.500 0.037 0.000 0.941 48 K HN 0.715 nan 8.250 nan 0.000 0.474 49 A N 6.322 129.156 122.820 0.023 0.000 2.555 49 A HA 0.123 4.443 4.320 0.000 0.000 0.233 49 A C -2.067 175.526 177.584 0.015 0.000 1.060 49 A CA -0.930 51.119 52.037 0.020 0.000 0.759 49 A CB -0.401 18.604 19.000 0.008 0.000 0.995 49 A HN 0.658 nan 8.150 nan 0.000 0.506 50 P HA 0.173 nan 4.420 nan 0.000 0.265 50 P C 0.839 178.144 177.300 0.009 0.000 1.222 50 P CA 1.446 64.554 63.100 0.013 0.000 0.767 50 P CB 0.509 32.216 31.700 0.012 0.000 0.801 51 G N 3.012 111.817 108.800 0.009 0.000 2.194 51 G HA2 -0.186 3.774 3.960 0.000 0.000 0.236 51 G HA3 -0.186 3.774 3.960 0.000 0.000 0.236 51 G C -0.307 174.596 174.900 0.005 0.000 0.987 51 G CA -0.229 44.875 45.100 0.006 0.000 0.635 51 G HN 0.516 nan 8.290 nan 0.000 0.520 52 D N 0.436 120.839 120.400 0.004 0.000 2.304 52 D HA 0.531 5.171 4.640 0.000 0.000 0.250 52 D C 1.548 177.849 176.300 0.001 0.000 1.107 52 D CA 0.474 54.475 54.000 0.000 0.000 0.885 52 D CB 1.509 42.306 40.800 -0.006 0.000 1.192 52 D HN 0.255 nan 8.370 nan 0.000 0.436 53 S N 0.759 116.457 115.700 -0.002 0.000 2.478 53 S HA 0.109 4.580 4.470 0.000 0.000 0.222 53 S C 0.606 175.204 174.600 -0.002 0.000 1.008 53 S CA -0.256 57.944 58.200 -0.000 0.000 0.928 53 S CB 0.335 63.533 63.200 -0.004 0.000 0.781 53 S HN 0.294 nan 8.310 nan 0.000 0.518 54 V N 1.265 121.170 119.914 -0.014 0.000 2.962 54 V HA 0.460 4.580 4.120 0.000 0.000 0.313 54 V C -0.884 175.173 176.094 -0.060 0.000 1.099 54 V CA -1.373 60.910 62.300 -0.030 0.000 0.971 54 V CB 2.048 33.851 31.823 -0.033 0.000 1.028 54 V HN 0.495 nan 8.190 nan 0.000 0.430 55 L N 4.276 125.429 121.223 -0.116 0.000 2.462 55 L HA 0.349 4.689 4.340 0.000 0.000 0.272 55 L C -0.294 176.423 176.870 -0.255 0.000 1.166 55 L CA 0.610 55.330 54.840 -0.200 0.000 0.880 55 L CB 1.042 42.892 42.059 -0.348 0.000 1.142 55 L HN 0.813 nan 8.230 nan 0.000 0.473 56 T N 6.184 120.609 114.554 -0.214 0.000 2.786 56 T HA 0.530 4.880 4.350 0.000 0.000 0.283 56 T C -0.579 173.945 174.700 -0.293 0.000 0.992 56 T CA -0.480 61.486 62.100 -0.224 0.000 0.954 56 T CB 1.480 70.293 68.868 -0.091 0.000 0.934 56 T HN 0.229 nan 8.240 nan 0.000 0.440 57 L N 3.568 124.571 121.223 -0.367 0.000 2.385 57 L HA 0.607 4.947 4.340 0.000 0.000 0.273 57 L C 0.495 177.304 176.870 -0.101 0.000 0.990 57 L CA -0.549 54.097 54.840 -0.325 0.000 0.821 57 L CB 1.952 43.732 42.059 -0.465 0.000 1.279 57 L HN 0.793 nan 8.230 nan 0.000 0.412 58 S N 2.280 117.918 115.700 -0.103 0.000 2.687 58 S HA 0.842 5.312 4.470 0.000 0.000 0.283 58 S C -0.754 173.844 174.600 -0.003 0.000 1.170 58 S CA -0.486 57.667 58.200 -0.077 0.000 1.008 58 S CB 1.533 64.647 63.200 -0.144 0.000 1.026 58 S HN 0.456 nan 8.310 nan 0.000 0.541 59 Y N -1.279 118.946 120.300 -0.124 0.000 2.581 59 Y HA 0.840 5.390 4.550 0.000 0.000 0.345 59 Y C -0.676 175.057 175.900 -0.277 0.000 1.036 59 Y CA -0.898 57.085 58.100 -0.195 0.000 1.042 59 Y CB 1.329 39.694 38.460 -0.159 0.000 1.289 59 Y HN 1.001 nan 8.280 nan 0.000 0.471 60 S N 0.875 116.400 115.700 -0.291 0.000 2.550 60 S HA 0.710 5.180 4.470 0.000 0.000 0.270 60 S C -1.844 172.465 174.600 -0.484 0.000 1.145 60 S CA -0.910 57.063 58.200 -0.379 0.000 0.852 60 S CB 1.075 64.160 63.200 -0.192 0.000 1.119 60 S HN 0.522 nan 8.310 nan 0.000 0.465 61 F N 1.696 121.668 119.950 0.037 0.000 2.385 61 F HA 0.490 5.017 4.527 0.000 0.000 0.360 61 F C 0.197 176.005 175.800 0.013 0.000 1.122 61 F CA -1.022 56.971 58.000 -0.012 0.000 1.090 61 F CB 0.737 39.727 39.000 -0.015 0.000 1.150 61 F HN 0.392 nan 8.300 nan 0.000 0.472 62 L N 2.707 123.997 121.223 0.111 0.000 2.543 62 L HA -0.014 4.326 4.340 0.000 0.000 0.285 62 L C 1.473 178.534 176.870 0.319 0.000 1.236 62 L CA 0.794 55.738 54.840 0.174 0.000 0.871 62 L CB 0.422 42.611 42.059 0.216 0.000 1.121 62 L HN 0.860 nan 8.230 nan 0.000 0.501 63 T N -1.012 113.675 114.554 0.222 0.000 2.969 63 T HA 0.231 4.581 4.350 0.000 0.000 0.250 63 T C 0.313 175.127 174.700 0.190 0.000 1.021 63 T CA -0.067 62.172 62.100 0.231 0.000 1.003 63 T CB 0.165 69.106 68.868 0.122 0.000 1.040 63 T HN 0.571 nan 8.240 nan 0.000 0.492 64 K N 0.400 120.725 120.400 -0.126 0.000 2.533 64 K HA 0.704 5.024 4.320 0.000 0.000 0.272 64 K C -3.564 172.419 176.600 -1.027 0.000 0.985 64 K CA -2.384 53.611 56.287 -0.487 0.000 0.876 64 K CB 0.893 33.271 32.500 -0.204 0.000 1.452 64 K HN -0.244 nan 8.250 nan 0.000 0.439 65 P HA 0.049 nan 4.420 nan 0.000 0.269 65 P C -1.133 176.019 177.300 -0.246 0.000 1.215 65 P CA -0.252 62.354 63.100 -0.824 0.000 0.780 65 P CB 0.414 31.806 31.700 -0.514 0.000 0.898 66 N N 0.323 119.039 118.700 0.025 0.000 2.879 66 N HA 0.153 4.893 4.740 0.000 0.000 0.329 66 N C 0.599 176.179 175.510 0.116 0.000 1.337 66 N CA -0.444 52.661 53.050 0.091 0.000 0.844 66 N CB -0.495 38.093 38.487 0.167 0.000 1.236 66 N HN 0.177 nan 8.380 nan 0.000 0.601 67 D N -0.942 119.519 120.400 0.102 0.000 2.104 67 D HA -0.158 4.482 4.640 0.000 0.000 0.194 67 D C 1.510 177.871 176.300 0.102 0.000 0.994 67 D CA 1.321 55.379 54.000 0.097 0.000 0.830 67 D CB -0.250 40.630 40.800 0.134 0.000 0.959 67 D HN 0.437 nan 8.370 nan 0.000 0.452 68 F N -0.154 119.754 119.950 -0.070 0.000 2.126 68 F HA -0.166 4.361 4.527 0.000 0.000 0.299 68 F C 1.860 177.554 175.800 -0.176 0.000 1.096 68 F CA 1.204 59.080 58.000 -0.207 0.000 1.255 68 F CB -0.603 38.133 39.000 -0.440 0.000 0.997 68 F HN 0.035 nan 8.300 nan 0.000 0.479 69 F N 1.501 121.218 119.950 -0.388 0.000 2.102 69 F HA -0.193 4.334 4.527 0.000 0.000 0.298 69 F C 2.122 177.658 175.800 -0.440 0.000 1.105 69 F CA 2.425 60.103 58.000 -0.536 0.000 1.239 69 F CB -0.883 37.976 39.000 -0.236 0.000 0.991 69 F HN 0.019 nan 8.300 nan 0.000 0.474 70 N N -1.572 117.068 118.700 -0.099 0.000 2.188 70 N HA -0.096 4.644 4.740 0.000 0.000 0.184 70 N C -0.040 175.188 175.510 -0.469 0.000 1.018 70 N CA 1.474 54.438 53.050 -0.144 0.000 0.858 70 N CB -0.082 38.385 38.487 -0.034 0.000 0.989 70 N HN 0.089 nan 8.380 nan 0.000 0.426 71 T N 0.830 114.997 114.554 -0.645 0.000 3.504 71 T HA 0.213 4.563 4.350 0.000 0.000 0.286 71 T C -2.235 171.816 174.700 -1.081 0.000 1.530 71 T CA -1.077 60.281 62.100 -1.238 0.000 1.652 71 T CB 1.493 69.870 68.868 -0.819 0.000 0.895 71 T HN -0.015 nan 8.240 nan 0.000 0.674 72 P HA -0.103 nan 4.420 nan 0.000 0.215 72 P C 1.394 178.541 177.300 -0.255 0.000 1.153 72 P CA 0.981 63.647 63.100 -0.723 0.000 0.853 72 P CB -0.142 31.120 31.700 -0.731 0.000 0.788 73 W N 1.137 122.385 121.300 -0.087 0.000 2.424 73 W HA -0.048 4.613 4.660 0.000 0.000 0.264 73 W C 1.726 178.214 176.519 -0.051 0.000 1.229 73 W CA 0.938 58.259 57.345 -0.040 0.000 1.208 73 W CB -1.425 28.009 29.460 -0.043 0.000 1.127 73 W HN -0.065 nan 8.180 nan 0.000 0.588 74 K N -0.938 119.267 120.400 -0.325 0.000 2.432 74 K HA -0.081 4.239 4.320 0.000 0.000 0.196 74 K C 0.885 177.232 176.600 -0.421 0.000 1.038 74 K CA 1.111 57.182 56.287 -0.359 0.000 0.986 74 K CB -0.214 31.907 32.500 -0.632 0.000 0.782 74 K HN 0.324 nan 8.250 nan 0.000 0.485 75 Y N -1.215 119.069 120.300 -0.027 0.000 2.678 75 Y HA 0.199 4.749 4.550 0.000 0.000 0.274 75 Y C 0.241 176.182 175.900 0.069 0.000 1.114 75 Y CA -0.520 57.594 58.100 0.024 0.000 1.274 75 Y CB 0.920 39.422 38.460 0.070 0.000 1.438 75 Y HN -0.306 nan 8.280 nan 0.000 0.493 76 V N 2.053 122.148 119.914 0.301 0.000 2.293 76 V HA 0.143 4.263 4.120 0.000 0.000 0.275 76 V C 0.937 177.116 176.094 0.142 0.000 1.021 76 V CA -0.276 62.147 62.300 0.204 0.000 0.815 76 V CB 0.758 32.715 31.823 0.223 0.000 1.025 76 V HN 0.498 nan 8.190 nan 0.000 0.448 77 S N 4.333 120.101 115.700 0.113 0.000 2.412 77 S HA -0.326 4.144 4.470 0.000 0.000 0.246 77 S C 1.127 175.792 174.600 0.109 0.000 1.073 77 S CA 2.400 60.661 58.200 0.102 0.000 1.186 77 S CB -0.618 62.622 63.200 0.066 0.000 1.084 77 S HN 0.938 nan 8.310 nan 0.000 0.434 78 D N 0.935 121.385 120.400 0.083 0.000 2.325 78 D HA 0.293 4.934 4.640 0.000 0.000 0.234 78 D C 0.044 176.427 176.300 0.139 0.000 1.122 78 D CA -0.086 53.968 54.000 0.091 0.000 0.850 78 D CB -0.575 40.259 40.800 0.056 0.000 0.921 78 D HN 0.537 nan 8.370 nan 0.000 0.513 79 I N 1.849 122.496 120.570 0.128 0.000 2.330 79 I HA 0.137 4.307 4.170 0.000 0.000 0.286 79 I C 0.122 176.346 176.117 0.177 0.000 1.025 79 I CA -1.121 60.226 61.300 0.078 0.000 1.197 79 I CB 0.771 38.712 38.000 -0.099 0.000 1.358 79 I HN 0.023 nan 8.210 nan 0.000 0.467 80 Y N 3.701 124.034 120.300 0.054 0.000 2.397 80 Y HA 0.328 4.878 4.550 0.000 0.000 0.292 80 Y C 0.848 176.831 175.900 0.139 0.000 1.115 80 Y CA -0.379 57.786 58.100 0.108 0.000 1.208 80 Y CB -0.082 38.371 38.460 -0.011 0.000 1.046 80 Y HN 0.428 nan 8.280 nan 0.000 0.552 81 S N -0.784 114.527 115.700 -0.648 0.000 2.537 81 S HA 0.509 4.979 4.470 0.000 0.000 0.271 81 S C -0.783 173.502 174.600 -0.526 0.000 1.148 81 S CA -0.798 57.097 58.200 -0.508 0.000 0.868 81 S CB 0.802 63.732 63.200 -0.451 0.000 1.115 81 S HN 0.270 nan 8.310 nan 0.000 0.461 82 L N 3.300 124.236 121.223 -0.478 0.000 2.808 82 L HA 0.468 4.808 4.340 0.000 0.000 0.246 82 L C 1.356 178.248 176.870 0.037 0.000 1.153 82 L CA 0.391 55.047 54.840 -0.307 0.000 0.956 82 L CB -0.186 41.439 42.059 -0.724 0.000 1.270 82 L HN 1.082 nan 8.230 nan 0.000 0.528 83 G N 1.033 109.835 108.800 0.003 0.000 2.512 83 G HA2 -0.248 3.712 3.960 0.000 0.000 0.254 83 G HA3 -0.248 3.712 3.960 0.000 0.000 0.254 83 G C -0.263 174.850 174.900 0.355 0.000 1.199 83 G CA -0.482 44.717 45.100 0.164 0.000 0.941 83 G HN 0.160 nan 8.290 nan 0.000 0.569 84 K N -0.217 120.394 120.400 0.352 0.000 2.143 84 K HA 0.547 4.867 4.320 0.000 0.000 0.272 84 K C -0.489 176.380 176.600 0.449 0.000 1.001 84 K CA -0.392 56.121 56.287 0.377 0.000 0.915 84 K CB 1.637 34.269 32.500 0.219 0.000 1.047 84 K HN 0.419 nan 8.250 nan 0.000 0.458 85 F N 1.612 121.649 119.950 0.146 0.000 2.379 85 F HA 0.304 4.831 4.527 0.000 0.000 0.332 85 F C -0.296 175.532 175.800 0.047 0.000 1.096 85 F CA -0.074 57.870 58.000 -0.094 0.000 1.105 85 F CB 1.104 39.681 39.000 -0.704 0.000 1.189 85 F HN 0.544 nan 8.300 nan 0.000 0.515 86 S N 4.063 119.222 115.700 -0.903 0.000 2.541 86 S HA 0.836 5.306 4.470 0.000 0.000 0.271 86 S C -0.905 173.269 174.600 -0.710 0.000 1.133 86 S CA -0.783 57.105 58.200 -0.520 0.000 0.876 86 S CB 1.009 64.116 63.200 -0.156 0.000 1.105 86 S HN 1.068 nan 8.310 nan 0.000 0.470 87 A N 1.768 124.443 122.820 -0.241 0.000 2.332 87 A HA 0.672 4.992 4.320 0.000 0.000 0.258 87 A C -0.329 177.326 177.584 0.118 0.000 1.087 87 A CA -0.408 51.633 52.037 0.007 0.000 0.802 87 A CB -0.226 18.864 19.000 0.150 0.000 1.042 87 A HN 0.705 nan 8.150 nan 0.000 0.489 88 F N 1.638 121.553 119.950 -0.057 0.000 2.578 88 F HA 0.202 4.729 4.527 0.000 0.000 0.376 88 F C 1.624 177.317 175.800 -0.179 0.000 1.085 88 F CA 0.121 58.044 58.000 -0.128 0.000 1.260 88 F CB 0.483 39.394 39.000 -0.148 0.000 1.095 88 F HN 0.669 nan 8.300 nan 0.000 0.573 89 S N 2.929 118.527 115.700 -0.171 0.000 2.617 89 S HA 0.460 4.930 4.470 0.000 0.000 0.259 89 S C 1.232 175.706 174.600 -0.210 0.000 1.301 89 S CA -0.351 57.750 58.200 -0.165 0.000 0.984 89 S CB 0.944 64.036 63.200 -0.179 0.000 0.954 89 S HN 0.755 nan 8.310 nan 0.000 0.572 90 A N 0.096 122.813 122.820 -0.171 0.000 1.933 90 A HA -0.132 4.188 4.320 0.000 0.000 0.218 90 A C 2.340 179.799 177.584 -0.209 0.000 1.175 90 A CA 1.800 53.730 52.037 -0.180 0.000 0.628 90 A CB -1.190 17.737 19.000 -0.123 0.000 0.814 90 A HN 0.933 nan 8.150 nan 0.000 0.444 91 Q N -0.745 118.934 119.800 -0.202 0.000 2.046 91 Q HA -0.222 4.118 4.340 0.000 0.000 0.200 91 Q C 2.270 178.104 176.000 -0.277 0.000 0.975 91 Q CA 1.651 57.332 55.803 -0.204 0.000 0.836 91 Q CB -0.172 28.459 28.738 -0.179 0.000 0.896 91 Q HN 0.787 nan 8.270 nan 0.000 0.428 92 Q N -0.181 119.389 119.800 -0.383 0.000 2.135 92 Q HA -0.232 4.108 4.340 0.000 0.000 0.204 92 Q C 2.112 177.845 176.000 -0.444 0.000 0.981 92 Q CA 1.629 57.088 55.803 -0.573 0.000 0.856 92 Q CB 0.006 28.095 28.738 -1.083 0.000 0.902 92 Q HN 0.494 nan 8.270 nan 0.000 0.425 93 Q N -0.247 119.292 119.800 -0.436 0.000 2.079 93 Q HA -0.106 4.234 4.340 0.000 0.000 0.200 93 Q C 2.135 177.924 176.000 -0.352 0.000 0.974 93 Q CA 1.159 56.580 55.803 -0.638 0.000 0.840 93 Q CB -0.138 28.050 28.738 -0.917 0.000 0.898 93 Q HN 0.366 nan 8.270 nan 0.000 0.430 94 A N 0.944 123.613 122.820 -0.252 0.000 1.902 94 A HA -0.202 4.118 4.320 0.000 0.000 0.217 94 A C 2.072 179.576 177.584 -0.133 0.000 1.181 94 A CA 1.155 53.101 52.037 -0.151 0.000 0.623 94 A CB -0.315 18.609 19.000 -0.127 0.000 0.818 94 A HN 0.220 nan 8.150 nan 0.000 0.443 95 Q N -0.567 119.133 119.800 -0.166 0.000 2.119 95 Q HA -0.056 4.284 4.340 0.000 0.000 0.201 95 Q C 2.384 178.295 176.000 -0.149 0.000 0.972 95 Q CA 1.437 57.154 55.803 -0.144 0.000 0.847 95 Q CB -0.654 27.983 28.738 -0.167 0.000 0.903 95 Q HN 0.659 nan 8.270 nan 0.000 0.433 96 A N 1.415 124.117 122.820 -0.195 0.000 1.933 96 A HA -0.174 4.146 4.320 0.000 0.000 0.218 96 A C 2.034 179.470 177.584 -0.246 0.000 1.175 96 A CA 1.358 53.248 52.037 -0.246 0.000 0.628 96 A CB -0.248 18.538 19.000 -0.357 0.000 0.814 96 A HN 0.239 nan 8.150 nan 0.000 0.444 97 K N -0.401 119.899 120.400 -0.166 0.000 2.217 97 K HA 0.072 4.392 4.320 0.000 0.000 0.202 97 K C 1.688 178.236 176.600 -0.086 0.000 1.051 97 K CA 0.925 57.126 56.287 -0.142 0.000 0.952 97 K CB -0.254 32.242 32.500 -0.005 0.000 0.736 97 K HN 0.467 nan 8.250 nan 0.000 0.453 98 L N 0.296 121.484 121.223 -0.057 0.000 2.109 98 L HA -0.106 4.234 4.340 0.000 0.000 0.207 98 L C 2.303 179.176 176.870 0.005 0.000 1.086 98 L CA 0.844 55.684 54.840 0.000 0.000 0.760 98 L CB -0.269 41.797 42.059 0.012 0.000 0.910 98 L HN 0.071 nan 8.230 nan 0.000 0.437 99 S N 0.107 115.782 115.700 -0.042 0.000 2.368 99 S HA -0.071 4.399 4.470 0.000 0.000 0.224 99 S C 1.996 176.615 174.600 0.032 0.000 1.029 99 S CA 0.963 59.146 58.200 -0.028 0.000 0.988 99 S CB -0.160 63.047 63.200 0.012 0.000 0.838 99 S HN 0.249 nan 8.310 nan 0.000 0.462 100 L N 1.369 122.539 121.223 -0.089 0.000 2.012 100 L HA -0.217 4.123 4.340 0.000 0.000 0.210 100 L C 2.839 179.735 176.870 0.044 0.000 1.073 100 L CA 1.662 56.346 54.840 -0.260 0.000 0.748 100 L CB -0.571 41.035 42.059 -0.755 0.000 0.891 100 L HN 0.406 nan 8.230 nan 0.000 0.431 101 Q N 0.086 119.923 119.800 0.062 0.000 2.096 101 Q HA -0.249 4.091 4.340 0.000 0.000 0.204 101 Q C 2.232 178.350 176.000 0.197 0.000 0.982 101 Q CA 2.393 58.301 55.803 0.176 0.000 0.850 101 Q CB -0.058 28.759 28.738 0.131 0.000 0.901 101 Q HN 0.601 nan 8.270 nan 0.000 0.422 102 S N -1.333 114.433 115.700 0.109 0.000 2.442 102 S HA -0.154 4.316 4.470 0.000 0.000 0.236 102 S C 1.298 175.854 174.600 -0.073 0.000 1.007 102 S CA 0.900 59.101 58.200 0.001 0.000 0.965 102 S CB -0.597 62.438 63.200 -0.276 0.000 0.773 102 S HN 0.584 nan 8.310 nan 0.000 0.504 103 W N 2.260 123.627 121.300 0.111 0.000 2.525 103 W HA 0.094 4.754 4.660 0.000 0.000 0.288 103 W C 3.006 179.632 176.519 0.178 0.000 1.200 103 W CA 0.611 58.040 57.345 0.141 0.000 1.349 103 W CB -0.309 29.266 29.460 0.191 0.000 1.102 103 W HN 0.418 nan 8.180 nan 0.000 0.558 104 S N -0.512 115.484 115.700 0.493 0.000 2.447 104 S HA -0.175 4.295 4.470 0.000 0.000 0.233 104 S C 1.242 175.975 174.600 0.222 0.000 1.006 104 S CA 1.418 59.799 58.200 0.302 0.000 0.957 104 S CB -0.489 62.903 63.200 0.320 0.000 0.773 104 S HN 0.113 nan 8.310 nan 0.000 0.507 105 D N 1.745 122.289 120.400 0.240 0.000 2.144 105 D HA -0.068 4.572 4.640 0.000 0.000 0.199 105 D C 2.129 178.570 176.300 0.235 0.000 0.984 105 D CA 1.545 55.702 54.000 0.262 0.000 0.834 105 D CB -0.225 40.762 40.800 0.312 0.000 0.955 105 D HN 0.561 nan 8.370 nan 0.000 0.465 106 V N -2.398 117.558 119.914 0.071 0.000 3.307 106 V HA 0.198 4.318 4.120 0.000 0.000 0.253 106 V C 0.783 176.711 176.094 -0.277 0.000 1.149 106 V CA 0.616 62.733 62.300 -0.304 0.000 1.112 106 V CB 0.086 31.711 31.823 -0.330 0.000 0.777 106 V HN 0.005 nan 8.190 nan 0.000 0.464 107 T N -0.405 114.142 114.554 -0.013 0.000 2.883 107 T HA 0.441 4.791 4.350 0.000 0.000 0.284 107 T C -0.487 174.237 174.700 0.040 0.000 1.041 107 T CA -0.610 61.505 62.100 0.026 0.000 1.007 107 T CB 1.130 70.083 68.868 0.142 0.000 1.220 107 T HN 0.263 nan 8.240 nan 0.000 0.552 108 N N 0.311 119.037 118.700 0.043 0.000 3.034 108 N HA 0.490 5.230 4.740 0.000 0.000 0.265 108 N C -1.133 174.324 175.510 -0.089 0.000 1.166 108 N CA -0.151 52.904 53.050 0.008 0.000 1.081 108 N CB -0.188 38.320 38.487 0.035 0.000 1.378 108 N HN 0.417 nan 8.380 nan 0.000 0.520 109 I N 0.502 120.974 120.570 -0.163 0.000 2.619 109 I HA 0.200 4.370 4.170 0.000 0.000 0.292 109 I C -0.858 175.055 176.117 -0.341 0.000 1.100 109 I CA -0.918 60.141 61.300 -0.401 0.000 1.043 109 I CB 1.879 39.454 38.000 -0.708 0.000 1.239 109 I HN 0.335 nan 8.210 nan 0.000 0.420 110 H N 6.029 124.822 119.070 -0.463 0.000 2.638 110 H HA 0.503 5.059 4.556 0.000 0.000 0.317 110 H C -1.650 173.488 175.328 -0.316 0.000 1.006 110 H CA -0.830 55.051 56.048 -0.279 0.000 1.222 110 H CB 0.663 30.340 29.762 -0.142 0.000 1.419 110 H HN 0.209 nan 8.280 nan 0.000 0.489 111 F N 4.652 124.490 119.950 -0.188 0.000 2.411 111 F HA 0.352 4.879 4.527 0.000 0.000 0.350 111 F C -0.050 175.610 175.800 -0.233 0.000 1.114 111 F CA -0.579 57.337 58.000 -0.141 0.000 1.135 111 F CB 1.147 40.167 39.000 0.035 0.000 1.120 111 F HN 0.242 nan 8.300 nan 0.000 0.495 112 V N 2.765 122.655 119.914 -0.040 0.000 2.459 112 V HA 0.191 4.312 4.120 0.000 0.000 0.295 112 V C -0.449 175.445 176.094 -0.333 0.000 1.029 112 V CA -0.944 61.247 62.300 -0.182 0.000 0.874 112 V CB 1.721 33.408 31.823 -0.227 0.000 0.985 112 V HN 0.540 nan 8.190 nan 0.000 0.438 113 D N 3.867 124.036 120.400 -0.386 0.000 2.344 113 D HA 0.345 4.985 4.640 0.000 0.000 0.253 113 D C 0.708 176.734 176.300 -0.457 0.000 1.255 113 D CA 0.077 53.640 54.000 -0.728 0.000 0.894 113 D CB 1.688 42.308 40.800 -0.300 0.000 1.067 113 D HN 0.640 nan 8.370 nan 0.000 0.492 114 A N 3.165 125.673 122.820 -0.520 0.000 2.275 114 A HA 0.541 4.861 4.320 0.000 0.000 0.212 114 A C 1.352 178.828 177.584 -0.181 0.000 1.201 114 A CA 0.674 52.547 52.037 -0.274 0.000 0.843 114 A CB -0.487 18.372 19.000 -0.235 0.000 0.873 114 A HN 0.901 nan 8.150 nan 0.000 0.492 115 G N -0.443 108.254 108.800 -0.171 0.000 2.498 115 G HA2 -0.175 3.785 3.960 0.000 0.000 0.245 115 G HA3 -0.175 3.785 3.960 0.000 0.000 0.245 115 G C -0.637 174.308 174.900 0.074 0.000 1.204 115 G CA -0.152 44.941 45.100 -0.012 0.000 0.933 115 G HN 0.482 nan 8.290 nan 0.000 0.574 116 Q N 1.607 121.460 119.800 0.088 0.000 2.278 116 Q HA 0.621 4.961 4.340 0.000 0.000 0.257 116 Q C 0.641 176.675 176.000 0.058 0.000 0.928 116 Q CA 0.514 56.389 55.803 0.120 0.000 0.932 116 Q CB 0.887 29.692 28.738 0.111 0.000 1.221 116 Q HN 2.314 nan 8.270 nan 0.000 0.434 117 G N 2.285 111.117 108.800 0.054 0.000 2.320 117 G HA2 -0.058 3.902 3.960 0.000 0.000 0.274 117 G HA3 -0.058 3.902 3.960 0.000 0.000 0.274 117 G C -1.325 173.570 174.900 -0.009 0.000 1.324 117 G CA -0.135 44.977 45.100 0.019 0.000 0.957 117 G HN 0.572 nan 8.290 nan 0.000 0.481 118 D N -0.273 120.115 120.400 -0.021 0.000 2.593 118 D HA 0.105 4.745 4.640 0.000 0.000 0.241 118 D C 1.597 177.872 176.300 -0.042 0.000 1.257 118 D CA 0.397 54.377 54.000 -0.033 0.000 0.828 118 D CB 0.212 41.002 40.800 -0.017 0.000 1.049 118 D HN 0.541 nan 8.370 nan 0.000 0.490 119 Q N 0.308 120.076 119.800 -0.052 0.000 2.354 119 Q HA 0.105 4.445 4.340 0.000 0.000 0.203 119 Q C 0.938 176.896 176.000 -0.071 0.000 0.933 119 Q CA 0.357 56.127 55.803 -0.054 0.000 0.901 119 Q CB -0.437 28.269 28.738 -0.053 0.000 1.007 119 Q HN 0.151 nan 8.270 nan 0.000 0.495 120 G N 1.416 110.156 108.800 -0.100 0.000 2.503 120 G HA2 0.100 4.060 3.960 0.000 0.000 0.257 120 G HA3 0.100 4.060 3.960 0.000 0.000 0.257 120 G C -0.048 174.809 174.900 -0.072 0.000 1.214 120 G CA -0.271 44.764 45.100 -0.109 0.000 0.839 120 G HN 0.018 nan 8.290 nan 0.000 0.559 121 D N -0.220 120.142 120.400 -0.063 0.000 2.219 121 D HA -0.058 4.582 4.640 0.000 0.000 0.205 121 D C 0.936 177.241 176.300 0.009 0.000 0.970 121 D CA 1.029 55.024 54.000 -0.008 0.000 0.851 121 D CB 0.246 40.964 40.800 -0.137 0.000 0.943 121 D HN 0.133 nan 8.370 nan 0.000 0.488 122 L N 0.824 121.993 121.223 -0.090 0.000 2.341 122 L HA 0.345 4.685 4.340 0.000 0.000 0.278 122 L C 0.059 176.741 176.870 -0.313 0.000 1.005 122 L CA -0.518 54.203 54.840 -0.197 0.000 0.818 122 L CB 2.084 44.007 42.059 -0.226 0.000 1.259 122 L HN -0.158 nan 8.230 nan 0.000 0.418 123 T N -1.214 113.056 114.554 -0.474 0.000 2.907 123 T HA 0.756 5.106 4.350 0.000 0.000 0.292 123 T C -0.795 173.425 174.700 -0.801 0.000 1.043 123 T CA -0.649 61.167 62.100 -0.474 0.000 1.003 123 T CB 1.852 70.545 68.868 -0.291 0.000 1.084 123 T HN 0.149 nan 8.240 nan 0.000 0.483 124 F N 0.092 119.692 119.950 -0.584 0.000 2.540 124 F HA 0.805 5.332 4.527 0.000 0.000 0.317 124 F C 0.665 175.977 175.800 -0.814 0.000 1.104 124 F CA -0.472 57.058 58.000 -0.782 0.000 0.913 124 F CB 2.700 40.956 39.000 -1.241 0.000 1.170 124 F HN 1.152 nan 8.300 nan 0.000 0.450 125 G N 1.597 110.095 108.800 -0.504 0.000 2.692 125 G HA2 0.525 4.485 3.960 0.000 0.000 0.291 125 G HA3 0.525 4.485 3.960 0.000 0.000 0.291 125 G C -2.025 173.087 174.900 0.353 0.000 1.423 125 G CA -1.044 43.941 45.100 -0.191 0.000 0.843 125 G HN 0.598 nan 8.290 nan 0.000 0.486 126 N N -0.913 117.983 118.700 0.326 0.000 2.370 126 N HA 0.770 5.510 4.740 0.000 0.000 0.303 126 N C -1.022 174.836 175.510 0.581 0.000 1.103 126 N CA -0.689 52.644 53.050 0.472 0.000 0.848 126 N CB 2.093 40.691 38.487 0.185 0.000 1.235 126 N HN 0.563 nan 8.380 nan 0.000 0.496 127 F N -1.438 118.775 119.950 0.439 0.000 2.603 127 F HA 0.597 5.124 4.527 0.000 0.000 0.317 127 F C 0.693 176.662 175.800 0.283 0.000 1.066 127 F CA -1.102 57.164 58.000 0.444 0.000 0.941 127 F CB 1.243 40.544 39.000 0.502 0.000 1.291 127 F HN 0.441 nan 8.300 nan 0.000 0.472 128 S N -0.406 115.414 115.700 0.200 0.000 2.512 128 S HA 0.233 4.703 4.470 0.000 0.000 0.216 128 S C 0.288 174.903 174.600 0.025 0.000 1.006 128 S CA 0.377 58.597 58.200 0.032 0.000 0.915 128 S CB -0.263 62.998 63.200 0.103 0.000 0.824 128 S HN 0.753 nan 8.310 nan 0.000 0.497 129 S N 1.889 117.682 115.700 0.155 0.000 2.498 129 S HA 0.570 5.040 4.470 0.000 0.000 0.324 129 S C -0.243 174.499 174.600 0.236 0.000 1.071 129 S CA -0.496 57.782 58.200 0.130 0.000 1.113 129 S CB 1.085 64.330 63.200 0.075 0.000 0.976 129 S HN 0.447 nan 8.310 nan 0.000 0.462 130 S N 3.124 118.904 115.700 0.133 0.000 2.560 130 S HA 0.147 4.617 4.470 0.000 0.000 0.284 130 S C 0.798 175.509 174.600 0.185 0.000 1.327 130 S CA -0.158 58.160 58.200 0.196 0.000 1.055 130 S CB 0.282 63.499 63.200 0.029 0.000 0.868 130 S HN 1.170 nan 8.310 nan 0.000 0.506 131 V N 2.406 122.441 119.914 0.202 0.000 3.043 131 V HA 0.708 4.828 4.120 0.000 0.000 0.357 131 V C 1.138 177.260 176.094 0.047 0.000 1.372 131 V CA 0.318 62.660 62.300 0.069 0.000 1.214 131 V CB -0.654 31.124 31.823 -0.076 0.000 1.224 131 V HN 1.174 nan 8.190 nan 0.000 0.507 132 G N -0.078 108.759 108.800 0.062 0.000 3.426 132 G HA2 0.096 4.056 3.960 0.000 0.000 0.196 132 G HA3 0.096 4.056 3.960 0.000 0.000 0.196 132 G C 0.529 175.432 174.900 0.005 0.000 1.763 132 G CA 0.230 45.348 45.100 0.030 0.000 1.210 132 G HN 1.216 nan 8.290 nan 0.000 0.472 133 G N -0.571 108.250 108.800 0.035 0.000 2.971 133 G HA2 0.704 4.664 3.960 0.000 0.000 0.235 133 G HA3 0.704 4.664 3.960 0.000 0.000 0.235 133 G C 0.924 175.810 174.900 -0.023 0.000 1.351 133 G CA 0.869 45.961 45.100 -0.015 0.000 1.039 133 G HN 1.375 nan 8.290 nan 0.000 0.563 134 A N -1.714 121.076 122.820 -0.049 0.000 2.267 134 A HA 0.756 5.076 4.320 0.000 0.000 0.213 134 A C 0.852 178.519 177.584 0.140 0.000 1.192 134 A CA 1.396 53.370 52.037 -0.105 0.000 0.851 134 A CB -0.298 18.655 19.000 -0.078 0.000 0.881 134 A HN 1.948 nan 8.150 nan 0.000 0.494 135 A N -1.075 121.893 122.820 0.247 0.000 2.544 135 A HA 0.680 5.000 4.320 0.000 0.000 0.291 135 A C -1.151 176.607 177.584 0.289 0.000 1.055 135 A CA -0.220 51.951 52.037 0.223 0.000 0.651 135 A CB 0.306 19.280 19.000 -0.042 0.000 1.296 135 A HN 1.371 nan 8.150 nan 0.000 0.431 136 F N -2.595 117.334 119.950 -0.035 0.000 2.719 136 F HA 0.923 5.450 4.527 0.000 0.000 0.309 136 F C -0.483 175.143 175.800 -0.291 0.000 1.138 136 F CA -0.377 57.531 58.000 -0.154 0.000 0.943 136 F CB 1.004 39.871 39.000 -0.222 0.000 1.304 136 F HN 1.693 nan 8.300 nan 0.000 0.445 137 A N 1.177 123.845 122.820 -0.254 0.000 2.593 137 A HA 0.865 5.185 4.320 0.000 0.000 0.290 137 A C -2.319 174.923 177.584 -0.569 0.000 1.126 137 A CA -0.824 50.987 52.037 -0.375 0.000 0.695 137 A CB 1.302 20.246 19.000 -0.093 0.000 1.290 137 A HN 0.708 nan 8.150 nan 0.000 0.414 138 F N 0.740 120.644 119.950 -0.076 0.000 2.495 138 F HA 0.544 5.071 4.527 0.000 0.000 0.327 138 F C 0.445 176.175 175.800 -0.117 0.000 1.103 138 F CA -0.663 57.265 58.000 -0.120 0.000 0.949 138 F CB 1.484 40.389 39.000 -0.159 0.000 1.142 138 F HN 0.392 nan 8.300 nan 0.000 0.457 139 L N 4.410 125.646 121.223 0.022 0.000 2.476 139 L HA 0.165 4.505 4.340 0.000 0.000 0.264 139 L C -1.300 175.510 176.870 -0.101 0.000 1.224 139 L CA -1.431 53.391 54.840 -0.029 0.000 0.821 139 L CB 0.558 42.584 42.059 -0.055 0.000 1.101 139 L HN 0.401 nan 8.230 nan 0.000 0.488 140 P HA -0.039 nan 4.420 nan 0.000 0.263 140 P C -0.087 176.966 177.300 -0.412 0.000 1.386 140 P CA 0.304 63.084 63.100 -0.532 0.000 0.797 140 P CB -0.121 30.960 31.700 -1.030 0.000 1.381 141 D N -0.941 119.320 120.400 -0.231 0.000 2.402 141 D HA 0.031 4.671 4.640 0.000 0.000 0.216 141 D C 0.750 176.968 176.300 -0.135 0.000 1.128 141 D CA -0.529 53.369 54.000 -0.170 0.000 0.833 141 D CB -0.486 40.247 40.800 -0.112 0.000 0.971 141 D HN 0.049 nan 8.370 nan 0.000 0.503 142 V N -2.818 117.004 119.914 -0.154 0.000 3.134 142 V HA 0.604 4.724 4.120 0.000 0.000 0.313 142 V C -2.296 173.708 176.094 -0.150 0.000 1.069 142 V CA -1.955 60.266 62.300 -0.131 0.000 1.048 142 V CB 0.701 32.431 31.823 -0.155 0.000 1.119 142 V HN -0.161 nan 8.190 nan 0.000 0.461 143 P HA 0.112 nan 4.420 nan 0.000 0.268 143 P C -0.102 177.123 177.300 -0.125 0.000 1.208 143 P CA 0.089 63.135 63.100 -0.089 0.000 0.777 143 P CB 0.501 32.184 31.700 -0.028 0.000 0.875 144 D N 1.519 121.862 120.400 -0.095 0.000 2.203 144 D HA -0.179 4.461 4.640 0.000 0.000 0.199 144 D C 1.905 178.145 176.300 -0.100 0.000 0.997 144 D CA 1.930 55.874 54.000 -0.093 0.000 0.863 144 D CB -0.683 40.086 40.800 -0.051 0.000 0.928 144 D HN 0.455 nan 8.370 nan 0.000 0.458 145 A N -0.259 122.508 122.820 -0.088 0.000 2.070 145 A HA -0.054 4.266 4.320 0.000 0.000 0.220 145 A C 2.152 179.557 177.584 -0.297 0.000 1.159 145 A CA 0.834 52.804 52.037 -0.112 0.000 0.656 145 A CB -0.258 18.760 19.000 0.029 0.000 0.800 145 A HN 0.271 nan 8.150 nan 0.000 0.453 146 L N -1.850 119.134 121.223 -0.399 0.000 2.642 146 L HA 0.162 4.502 4.340 0.000 0.000 0.233 146 L C 0.941 177.565 176.870 -0.410 0.000 1.077 146 L CA -0.210 54.234 54.840 -0.661 0.000 0.879 146 L CB 0.019 41.445 42.059 -1.056 0.000 1.151 146 L HN 0.181 nan 8.230 nan 0.000 0.495 147 K N 1.057 121.300 120.400 -0.262 0.000 2.511 147 K HA 0.050 4.371 4.320 0.000 0.000 0.280 147 K C 1.131 177.721 176.600 -0.016 0.000 1.008 147 K CA 1.116 57.292 56.287 -0.184 0.000 1.050 147 K CB 0.281 32.615 32.500 -0.277 0.000 0.889 147 K HN 0.263 nan 8.250 nan 0.000 0.484 148 G N 2.523 111.383 108.800 0.100 0.000 2.184 148 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 148 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 148 G C -0.137 174.736 174.900 -0.045 0.000 0.975 148 G CA 0.275 45.488 45.100 0.188 0.000 0.642 148 G HN 0.654 nan 8.290 nan 0.000 0.536 149 Q N 0.583 120.377 119.800 -0.009 0.000 2.259 149 Q HA 0.565 4.905 4.340 0.000 0.000 0.249 149 Q C 0.153 176.049 176.000 -0.172 0.000 0.914 149 Q CA 0.417 56.153 55.803 -0.112 0.000 0.904 149 Q CB 1.472 30.282 28.738 0.121 0.000 1.213 149 Q HN 0.674 nan 8.270 nan 0.000 0.428 150 S N 0.883 116.281 115.700 -0.504 0.000 2.547 150 S HA 0.671 5.141 4.470 0.000 0.000 0.281 150 S C -1.618 172.560 174.600 -0.704 0.000 1.118 150 S CA -0.906 57.001 58.200 -0.489 0.000 0.947 150 S CB 0.920 63.938 63.200 -0.304 0.000 1.053 150 S HN 0.547 nan 8.310 nan 0.000 0.482 151 W N 1.124 122.022 121.300 -0.670 0.000 2.819 151 W HA 0.674 5.334 4.660 0.000 0.000 0.337 151 W C -1.567 174.771 176.519 -0.303 0.000 1.077 151 W CA -0.629 56.491 57.345 -0.375 0.000 1.226 151 W CB 1.502 30.446 29.460 -0.860 0.000 1.419 151 W HN 0.669 nan 8.180 nan 0.000 0.502 152 Y N 2.826 123.513 120.300 0.645 0.000 2.391 152 Y HA 0.445 4.995 4.550 0.000 0.000 0.341 152 Y C -0.238 175.754 175.900 0.154 0.000 0.965 152 Y CA -1.393 56.972 58.100 0.441 0.000 1.067 152 Y CB 1.201 39.851 38.460 0.318 0.000 1.199 152 Y HN 0.163 nan 8.280 nan 0.000 0.450 153 L N 5.182 126.349 121.223 -0.093 0.000 2.410 153 L HA 0.451 4.791 4.340 0.000 0.000 0.273 153 L C -0.905 175.915 176.870 -0.084 0.000 1.144 153 L CA 0.350 54.855 54.840 -0.558 0.000 0.863 153 L CB -0.299 41.434 42.059 -0.542 0.000 1.140 153 L HN 0.547 nan 8.230 nan 0.000 0.463 154 I N 5.696 126.200 120.570 -0.110 0.000 2.512 154 I HA 0.443 4.613 4.170 0.000 0.000 0.287 154 I C -1.011 175.107 176.117 0.001 0.000 1.069 154 I CA -0.624 60.678 61.300 0.003 0.000 1.056 154 I CB 1.772 39.767 38.000 -0.009 0.000 1.229 154 I HN 0.838 nan 8.210 nan 0.000 0.429 155 N N 2.158 120.882 118.700 0.039 0.000 3.106 155 N HA 0.178 4.918 4.740 0.000 0.000 0.253 155 N C 0.306 175.839 175.510 0.038 0.000 1.506 155 N CA -0.376 52.696 53.050 0.037 0.000 0.876 155 N CB 0.702 39.212 38.487 0.038 0.000 1.452 155 N HN 0.315 nan 8.380 nan 0.000 0.542 156 S N -0.968 114.753 115.700 0.035 0.000 2.419 156 S HA -0.112 4.358 4.470 0.000 0.000 0.233 156 S C 1.034 175.652 174.600 0.030 0.000 1.016 156 S CA 1.535 59.751 58.200 0.026 0.000 0.974 156 S CB -0.690 62.526 63.200 0.026 0.000 0.786 156 S HN 0.506 nan 8.310 nan 0.000 0.492 157 S N -0.812 114.921 115.700 0.055 0.000 2.475 157 S HA 0.261 4.731 4.470 0.000 0.000 0.224 157 S C 0.011 174.670 174.600 0.099 0.000 1.042 157 S CA -0.262 57.978 58.200 0.066 0.000 0.935 157 S CB -0.179 63.066 63.200 0.075 0.000 0.801 157 S HN 0.654 nan 8.310 nan 0.000 0.509 158 Y N 2.855 123.147 120.300 -0.014 0.000 2.369 158 Y HA 0.440 4.990 4.550 0.000 0.000 0.337 158 Y C 0.735 176.622 175.900 -0.021 0.000 0.961 158 Y CA -1.008 57.084 58.100 -0.014 0.000 1.186 158 Y CB 0.975 39.425 38.460 -0.018 0.000 1.139 158 Y HN 0.098 nan 8.280 nan 0.000 0.494 159 S N 2.875 118.338 115.700 -0.394 0.000 2.578 159 S HA 0.231 4.701 4.470 0.000 0.000 0.231 159 S C 1.623 176.012 174.600 -0.352 0.000 0.994 159 S CA 0.122 58.153 58.200 -0.282 0.000 0.956 159 S CB 0.305 63.407 63.200 -0.163 0.000 0.870 159 S HN 0.713 nan 8.310 nan 0.000 0.494 160 A N 3.005 125.442 122.820 -0.639 0.000 2.024 160 A HA -0.085 4.235 4.320 0.000 0.000 0.220 160 A C 1.908 179.393 177.584 -0.166 0.000 1.164 160 A CA 1.464 53.283 52.037 -0.362 0.000 0.643 160 A CB -0.530 18.265 19.000 -0.342 0.000 0.806 160 A HN 0.573 nan 8.150 nan 0.000 0.451 161 N N -0.508 118.124 118.700 -0.114 0.000 2.336 161 N HA 0.054 4.794 4.740 0.000 0.000 0.189 161 N C 1.369 176.781 175.510 -0.164 0.000 1.113 161 N CA 0.701 53.709 53.050 -0.071 0.000 0.858 161 N CB 0.336 38.865 38.487 0.070 0.000 0.970 161 N HN 0.291 nan 8.380 nan 0.000 0.471 162 V N 1.586 121.407 119.914 -0.155 0.000 2.379 162 V HA -0.104 4.016 4.120 0.000 0.000 0.245 162 V C 0.826 176.810 176.094 -0.183 0.000 1.044 162 V CA 1.202 63.402 62.300 -0.168 0.000 1.036 162 V CB -0.321 31.425 31.823 -0.128 0.000 0.664 162 V HN 0.469 nan 8.190 nan 0.000 0.453 163 N N 0.085 118.693 118.700 -0.154 0.000 2.804 163 N HA 0.275 5.016 4.740 0.000 0.000 0.251 163 N C -3.331 172.104 175.510 -0.125 0.000 1.250 163 N CA -1.546 51.420 53.050 -0.139 0.000 0.820 163 N CB 1.300 39.725 38.487 -0.103 0.000 1.156 163 N HN 0.193 nan 8.380 nan 0.000 0.512 164 P HA 0.389 nan 4.420 nan 0.000 0.271 164 P C -0.784 176.462 177.300 -0.090 0.000 1.218 164 P CA -0.137 62.887 63.100 -0.126 0.000 0.780 164 P CB 1.129 32.724 31.700 -0.174 0.000 0.901 165 A N 2.123 124.913 122.820 -0.049 0.000 2.610 165 A HA 0.479 4.799 4.320 0.000 0.000 0.291 165 A C -0.812 176.776 177.584 0.008 0.000 1.086 165 A CA -0.699 51.322 52.037 -0.026 0.000 0.677 165 A CB 0.700 19.688 19.000 -0.020 0.000 1.278 165 A HN 0.451 nan 8.150 nan 0.000 0.414 166 N N 0.255 118.967 118.700 0.020 0.000 2.365 166 N HA 0.352 5.092 4.740 0.000 0.000 0.265 166 N C 1.266 176.817 175.510 0.068 0.000 1.288 166 N CA 2.389 55.470 53.050 0.052 0.000 0.869 166 N CB 0.321 38.841 38.487 0.054 0.000 1.071 166 N HN 2.000 nan 8.380 nan 0.000 0.480 167 G N 2.075 110.928 108.800 0.090 0.000 2.195 167 G HA2 -0.310 3.650 3.960 0.000 0.000 0.246 167 G HA3 -0.310 3.650 3.960 0.000 0.000 0.246 167 G C 0.121 175.146 174.900 0.208 0.000 0.984 167 G CA 0.422 45.594 45.100 0.121 0.000 0.633 167 G HN 0.980 nan 8.290 nan 0.000 0.525 168 N N -1.002 117.805 118.700 0.178 0.000 2.502 168 N HA 0.531 5.271 4.740 0.000 0.000 0.280 168 N C 0.831 176.445 175.510 0.174 0.000 1.223 168 N CA -0.743 52.450 53.050 0.238 0.000 0.966 168 N CB 0.292 38.856 38.487 0.128 0.000 1.203 168 N HN 0.032 nan 8.380 nan 0.000 0.565 169 Y N 0.102 120.319 120.300 -0.139 0.000 2.224 169 Y HA 0.069 4.619 4.550 0.000 0.000 0.289 169 Y C 2.222 178.027 175.900 -0.159 0.000 1.146 169 Y CA 2.215 60.076 58.100 -0.398 0.000 1.182 169 Y CB -0.760 37.376 38.460 -0.541 0.000 0.983 169 Y HN 0.736 nan 8.280 nan 0.000 0.524 170 G N -0.371 108.366 108.800 -0.104 0.000 2.440 170 G HA2 -0.362 3.598 3.960 0.000 0.000 0.218 170 G HA3 -0.362 3.598 3.960 0.000 0.000 0.218 170 G C 1.781 176.598 174.900 -0.139 0.000 1.154 170 G CA 1.148 46.165 45.100 -0.137 0.000 0.767 170 G HN 0.329 nan 8.290 nan 0.000 0.552 171 R N 0.398 120.842 120.500 -0.094 0.000 2.075 171 R HA -0.010 4.330 4.340 0.000 0.000 0.232 171 R C 2.529 178.793 176.300 -0.060 0.000 1.126 171 R CA 2.020 58.078 56.100 -0.069 0.000 0.963 171 R CB -0.735 29.545 30.300 -0.033 0.000 0.858 171 R HN 0.495 nan 8.270 nan 0.000 0.435 172 Q N -0.793 118.961 119.800 -0.077 0.000 2.124 172 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 172 Q C 1.341 177.306 176.000 -0.059 0.000 0.977 172 Q CA 2.075 57.847 55.803 -0.052 0.000 0.850 172 Q CB -0.035 28.701 28.738 -0.004 0.000 0.901 172 Q HN 0.396 nan 8.270 nan 0.000 0.429 173 T N 1.206 115.634 114.554 -0.211 0.000 2.788 173 T HA -0.131 4.219 4.350 0.000 0.000 0.268 173 T C 1.727 176.554 174.700 0.211 0.000 1.044 173 T CA 1.106 63.142 62.100 -0.107 0.000 1.139 173 T CB -0.132 68.623 68.868 -0.189 0.000 0.867 173 T HN 0.243 nan 8.240 nan 0.000 0.454 174 L N 0.565 121.899 121.223 0.184 0.000 2.027 174 L HA -0.113 4.227 4.340 0.000 0.000 0.206 174 L C 2.947 180.000 176.870 0.306 0.000 1.074 174 L CA 1.263 56.270 54.840 0.279 0.000 0.745 174 L CB -0.906 41.188 42.059 0.059 0.000 0.898 174 L HN 0.256 nan 8.230 nan 0.000 0.433 175 T N -2.304 112.379 114.554 0.215 0.000 2.746 175 T HA -0.279 4.071 4.350 0.000 0.000 0.267 175 T C 1.744 176.704 174.700 0.433 0.000 1.039 175 T CA 1.700 63.982 62.100 0.303 0.000 1.142 175 T CB -0.379 68.529 68.868 0.066 0.000 0.866 175 T HN 0.468 nan 8.240 nan 0.000 0.444 176 H N 1.060 120.235 119.070 0.176 0.000 2.293 176 H HA -0.063 4.493 4.556 0.000 0.000 0.300 176 H C 2.338 177.677 175.328 0.017 0.000 1.082 176 H CA 1.546 57.642 56.048 0.082 0.000 1.308 176 H CB 0.162 29.943 29.762 0.031 0.000 1.375 176 H HN 0.132 nan 8.280 nan 0.000 0.495 177 E N 0.501 120.934 120.200 0.388 0.000 2.110 177 E HA -0.136 4.214 4.350 0.000 0.000 0.193 177 E C 2.486 179.189 176.600 0.171 0.000 0.988 177 E CA 0.977 57.563 56.400 0.310 0.000 0.804 177 E CB -0.151 29.687 29.700 0.231 0.000 0.745 177 E HN 0.634 nan 8.360 nan 0.000 0.458 178 I N 0.868 121.550 120.570 0.186 0.000 2.361 178 I HA -0.169 4.002 4.170 0.000 0.000 0.251 178 I C 2.426 178.409 176.117 -0.225 0.000 1.133 178 I CA 1.118 62.432 61.300 0.024 0.000 1.413 178 I CB -0.482 37.582 38.000 0.106 0.000 1.073 178 I HN 0.106 nan 8.210 nan 0.000 0.424 179 G N 0.072 108.720 108.800 -0.252 0.000 2.440 179 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 179 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 179 G C 1.523 176.232 174.900 -0.319 0.000 1.154 179 G CA 0.741 45.518 45.100 -0.539 0.000 0.767 179 G HN 0.341 nan 8.290 nan 0.000 0.552 180 H N 0.826 119.806 119.070 -0.151 0.000 2.353 180 H HA -0.105 4.451 4.556 0.000 0.000 0.300 180 H C 3.032 178.318 175.328 -0.070 0.000 1.090 180 H CA 1.921 57.898 56.048 -0.119 0.000 1.327 180 H CB -0.813 28.894 29.762 -0.091 0.000 1.383 180 H HN 0.512 nan 8.280 nan 0.000 0.508 181 T N -0.981 113.624 114.554 0.086 0.000 2.962 181 T HA -0.048 4.302 4.350 0.000 0.000 0.270 181 T C 2.116 176.993 174.700 0.296 0.000 1.088 181 T CA 0.774 62.957 62.100 0.138 0.000 1.127 181 T CB -0.470 68.442 68.868 0.073 0.000 0.883 181 T HN 0.205 nan 8.240 nan 0.000 0.493 182 L N 0.008 121.303 121.223 0.120 0.000 2.446 182 L HA 0.411 4.752 4.340 0.000 0.000 0.219 182 L C 2.238 179.269 176.870 0.269 0.000 1.116 182 L CA 0.689 55.655 54.840 0.210 0.000 0.844 182 L CB -0.206 41.785 42.059 -0.112 0.000 0.970 182 L HN 0.617 nan 8.230 nan 0.000 0.457 183 G N -0.773 108.085 108.800 0.096 0.000 2.425 183 G HA2 -0.127 3.833 3.960 0.000 0.000 0.177 183 G HA3 -0.127 3.833 3.960 0.000 0.000 0.177 183 G C -0.274 174.613 174.900 -0.021 0.000 0.999 183 G CA -0.709 44.415 45.100 0.041 0.000 0.723 183 G HN -0.011 nan 8.290 nan 0.000 0.491 184 L N 2.532 123.724 121.223 -0.052 0.000 2.326 184 L HA 0.747 5.087 4.340 0.000 0.000 0.278 184 L C 0.797 177.661 176.870 -0.011 0.000 1.092 184 L CA 0.006 54.804 54.840 -0.070 0.000 0.810 184 L CB 1.432 43.410 42.059 -0.136 0.000 1.153 184 L HN 0.125 nan 8.230 nan 0.000 0.439 185 S N 0.767 116.453 115.700 -0.023 0.000 2.745 185 S HA 0.484 4.954 4.470 0.000 0.000 0.292 185 S C -0.268 174.331 174.600 -0.000 0.000 1.133 185 S CA -0.671 57.521 58.200 -0.013 0.000 0.998 185 S CB 0.631 63.798 63.200 -0.054 0.000 1.087 185 S HN 0.577 nan 8.310 nan 0.000 0.551 186 H N 0.856 119.969 119.070 0.070 0.000 2.771 186 H HA 0.098 4.654 4.556 0.000 0.000 0.364 186 H C -1.591 173.745 175.328 0.015 0.000 1.133 186 H CA -1.637 54.397 56.048 -0.023 0.000 1.423 186 H CB 0.236 30.001 29.762 0.004 0.000 1.425 186 H HN 0.357 nan 8.280 nan 0.000 0.606 187 P HA -0.034 nan 4.420 nan 0.000 0.228 187 P C 0.141 177.589 177.300 0.247 0.000 1.151 187 P CA 0.923 64.157 63.100 0.224 0.000 0.770 187 P CB 0.520 32.337 31.700 0.194 0.000 0.786 188 G N -1.822 107.113 108.800 0.225 0.000 2.725 188 G HA2 0.499 4.459 3.960 0.000 0.000 0.288 188 G HA3 0.499 4.459 3.960 0.000 0.000 0.288 188 G C -1.690 173.398 174.900 0.313 0.000 1.399 188 G CA -0.356 44.904 45.100 0.266 0.000 0.859 188 G HN -0.143 nan 8.290 nan 0.000 0.479 189 D N -1.049 119.574 120.400 0.371 0.000 4.531 189 D HA -0.138 4.502 4.640 0.000 0.000 0.229 189 D C -0.252 176.308 176.300 0.434 0.000 1.248 189 D CA 1.843 56.052 54.000 0.348 0.000 1.039 189 D CB -0.839 40.136 40.800 0.292 0.000 0.609 189 D HN 1.031 nan 8.370 nan 0.000 0.283 190 Y N 1.052 121.411 120.300 0.098 0.000 2.694 190 Y HA 0.021 4.571 4.550 0.000 0.000 0.283 190 Y C 1.464 177.400 175.900 0.061 0.000 1.017 190 Y CA 0.576 58.721 58.100 0.074 0.000 1.076 190 Y CB -0.887 37.615 38.460 0.070 0.000 1.394 190 Y HN 0.210 nan 8.280 nan 0.000 0.537 191 N N 2.751 121.026 118.700 -0.709 0.000 2.289 191 N HA 0.226 4.966 4.740 0.000 0.000 0.184 191 N C 0.698 176.094 175.510 -0.191 0.000 1.016 191 N CA 1.680 54.402 53.050 -0.546 0.000 0.872 191 N CB 0.396 38.524 38.487 -0.598 0.000 0.973 191 N HN 0.731 nan 8.380 nan 0.000 0.433 192 A N -1.127 121.639 122.820 -0.090 0.000 3.865 192 A HA 0.755 5.075 4.320 0.000 0.000 0.284 192 A C -0.448 177.164 177.584 0.047 0.000 1.105 192 A CA -0.046 51.983 52.037 -0.014 0.000 0.605 192 A CB 0.918 19.909 19.000 -0.015 0.000 1.594 192 A HN 0.738 nan 8.150 nan 0.000 0.741 193 G N -1.546 107.288 108.800 0.057 0.000 2.347 193 G HA2 0.503 4.463 3.960 0.000 0.000 0.321 193 G HA3 0.503 4.463 3.960 0.000 0.000 0.321 193 G C -1.599 173.345 174.900 0.074 0.000 1.412 193 G CA 0.075 45.228 45.100 0.089 0.000 0.990 193 G HN 0.833 nan 8.290 nan 0.000 0.637 194 E N -1.543 118.710 120.200 0.087 0.000 2.350 194 E HA 0.644 4.994 4.350 0.000 0.000 0.243 194 E C 1.245 177.893 176.600 0.080 0.000 0.959 194 E CA -0.001 56.441 56.400 0.070 0.000 0.883 194 E CB 0.863 30.597 29.700 0.056 0.000 1.820 194 E HN 0.921 nan 8.360 nan 0.000 0.441 195 G N -0.201 108.638 108.800 0.065 0.000 2.492 195 G HA2 -0.079 3.881 3.960 0.000 0.000 0.214 195 G HA3 -0.079 3.881 3.960 0.000 0.000 0.214 195 G C 0.216 175.160 174.900 0.072 0.000 1.147 195 G CA 0.474 45.612 45.100 0.063 0.000 0.809 195 G HN 0.228 nan 8.290 nan 0.000 0.533 196 D N 0.888 121.331 120.400 0.072 0.000 2.441 196 D HA 0.323 4.963 4.640 0.000 0.000 0.287 196 D C -2.070 174.286 176.300 0.094 0.000 1.198 196 D CA -1.584 52.463 54.000 0.079 0.000 0.894 196 D CB 1.030 41.862 40.800 0.053 0.000 1.070 196 D HN 0.131 nan 8.370 nan 0.000 0.499 197 P HA 0.368 nan 4.420 nan 0.000 0.276 197 P C -0.263 177.105 177.300 0.112 0.000 1.252 197 P CA -0.311 62.886 63.100 0.161 0.000 0.802 197 P CB 1.537 33.412 31.700 0.292 0.000 1.035 198 T N -2.944 111.509 114.554 -0.169 0.000 2.804 198 T HA 0.182 4.532 4.350 0.000 0.000 0.290 198 T C 0.633 174.669 174.700 -1.105 0.000 1.099 198 T CA -0.531 61.249 62.100 -0.532 0.000 1.011 198 T CB 0.559 69.283 68.868 -0.240 0.000 1.291 198 T HN 0.355 nan 8.240 nan 0.000 0.523 199 Y N 1.022 120.504 120.300 -1.364 0.000 2.403 199 Y HA 0.158 4.708 4.550 0.000 0.000 0.291 199 Y C 2.458 178.055 175.900 -0.505 0.000 1.143 199 Y CA 1.463 58.775 58.100 -1.314 0.000 1.257 199 Y CB -0.877 37.148 38.460 -0.724 0.000 0.984 199 Y HN 0.785 nan 8.280 nan 0.000 0.550 200 A N -0.265 122.350 122.820 -0.343 0.000 2.070 200 A HA -0.144 4.176 4.320 0.000 0.000 0.220 200 A C 1.628 179.159 177.584 -0.088 0.000 1.159 200 A CA 1.708 53.640 52.037 -0.175 0.000 0.656 200 A CB -0.490 18.434 19.000 -0.127 0.000 0.800 200 A HN 0.539 nan 8.150 nan 0.000 0.453 201 D N 0.161 120.447 120.400 -0.191 0.000 2.328 201 D HA 0.287 4.927 4.640 0.000 0.000 0.226 201 D C 0.787 177.036 176.300 -0.085 0.000 1.066 201 D CA 0.621 54.576 54.000 -0.075 0.000 0.861 201 D CB -0.037 40.752 40.800 -0.018 0.000 0.912 201 D HN 0.440 nan 8.370 nan 0.000 0.521 202 A N 0.351 122.971 122.820 -0.334 0.000 2.425 202 A HA 0.201 4.521 4.320 0.000 0.000 0.242 202 A C 1.508 178.856 177.584 -0.392 0.000 1.077 202 A CA 0.019 51.795 52.037 -0.436 0.000 0.781 202 A CB 0.637 19.100 19.000 -0.895 0.000 1.020 202 A HN -0.001 nan 8.150 nan 0.000 0.494 203 T N 0.293 114.739 114.554 -0.179 0.000 2.896 203 T HA 0.126 4.476 4.350 0.000 0.000 0.263 203 T C 0.137 174.762 174.700 -0.125 0.000 1.050 203 T CA 2.089 64.187 62.100 -0.003 0.000 1.140 203 T CB -0.364 68.646 68.868 0.238 0.000 0.877 203 T HN 0.738 nan 8.240 nan 0.000 0.457 204 Y N -2.122 117.897 120.300 -0.468 0.000 2.581 204 Y HA 0.811 5.361 4.550 0.000 0.000 0.345 204 Y C 0.883 176.536 175.900 -0.411 0.000 1.036 204 Y CA -1.715 56.026 58.100 -0.597 0.000 1.042 204 Y CB 0.856 38.601 38.460 -1.191 0.000 1.289 204 Y HN -0.123 nan 8.280 nan 0.000 0.471 205 A N 0.870 123.600 122.820 -0.151 0.000 1.940 205 A HA -0.127 4.193 4.320 0.000 0.000 0.219 205 A C 1.213 178.850 177.584 0.090 0.000 1.176 205 A CA 1.857 53.908 52.037 0.024 0.000 0.631 205 A CB -0.736 18.378 19.000 0.190 0.000 0.814 205 A HN 0.848 nan 8.150 nan 0.000 0.446 206 E N 0.582 120.801 120.200 0.030 0.000 2.382 206 E HA 0.040 4.390 4.350 0.000 0.000 0.190 206 E C -0.198 176.396 176.600 -0.011 0.000 1.125 206 E CA 0.156 56.584 56.400 0.047 0.000 0.929 206 E CB -0.171 29.441 29.700 -0.146 0.000 1.053 206 E HN 0.472 nan 8.360 nan 0.000 0.475 207 D N 1.417 121.630 120.400 -0.312 0.000 2.619 207 D HA 0.017 4.657 4.640 0.000 0.000 0.224 207 D C -0.629 175.811 176.300 0.232 0.000 1.133 207 D CA -0.120 53.744 54.000 -0.227 0.000 1.017 207 D CB -0.313 40.212 40.800 -0.457 0.000 1.077 207 D HN 0.077 nan 8.370 nan 0.000 0.503 208 T N -1.425 113.270 114.554 0.234 0.000 2.864 208 T HA 0.402 4.752 4.350 0.000 0.000 0.299 208 T C 0.982 175.771 174.700 0.149 0.000 1.166 208 T CA -0.985 61.238 62.100 0.206 0.000 1.007 208 T CB 1.264 70.203 68.868 0.118 0.000 1.219 208 T HN 0.097 nan 8.240 nan 0.000 0.506 209 R N 0.188 120.747 120.500 0.099 0.000 2.369 209 R HA 0.134 4.474 4.340 0.000 0.000 0.200 209 R C 1.759 178.145 176.300 0.142 0.000 1.046 209 R CA 0.695 56.873 56.100 0.130 0.000 1.057 209 R CB -0.507 29.899 30.300 0.177 0.000 0.888 209 R HN 0.741 nan 8.270 nan 0.000 0.474 210 A N -0.720 122.106 122.820 0.009 0.000 2.169 210 A HA 0.034 4.354 4.320 0.000 0.000 0.210 210 A C 0.891 178.315 177.584 -0.266 0.000 1.168 210 A CA 0.413 52.403 52.037 -0.079 0.000 0.813 210 A CB 0.213 18.966 19.000 -0.412 0.000 0.861 210 A HN 0.254 nan 8.150 nan 0.000 0.481 211 Y N -1.409 118.959 120.300 0.113 0.000 2.467 211 Y HA 0.386 4.936 4.550 0.000 0.000 0.259 211 Y C 0.831 176.793 175.900 0.103 0.000 1.084 211 Y CA 0.186 58.350 58.100 0.107 0.000 1.275 211 Y CB 0.694 39.233 38.460 0.130 0.000 1.208 211 Y HN 0.181 nan 8.280 nan 0.000 0.511 212 S N -0.102 115.736 115.700 0.230 0.000 2.603 212 S HA 0.341 4.811 4.470 0.000 0.000 0.274 212 S C 0.417 175.079 174.600 0.104 0.000 1.168 212 S CA -0.482 57.809 58.200 0.152 0.000 0.963 212 S CB 1.079 64.374 63.200 0.160 0.000 1.078 212 S HN 0.118 nan 8.310 nan 0.000 0.477 213 V N 3.647 123.607 119.914 0.078 0.000 3.305 213 V HA 0.084 4.204 4.120 0.000 0.000 0.269 213 V C 1.442 177.595 176.094 0.099 0.000 1.157 213 V CA 0.805 63.169 62.300 0.105 0.000 1.157 213 V CB -0.720 31.150 31.823 0.078 0.000 0.772 213 V HN 0.811 nan 8.190 nan 0.000 0.498 214 M N 0.595 120.146 119.600 -0.080 0.000 2.595 214 M HA 0.257 4.737 4.480 0.000 0.000 0.248 214 M C 1.178 177.331 176.300 -0.245 0.000 1.119 214 M CA 0.485 55.561 55.300 -0.374 0.000 1.079 214 M CB -0.659 31.775 32.600 -0.276 0.000 1.472 214 M HN 0.512 nan 8.290 nan 0.000 0.501 215 S N -0.576 115.033 115.700 -0.152 0.000 2.617 215 S HA 0.242 4.712 4.470 0.000 0.000 0.269 215 S C 0.095 174.461 174.600 -0.389 0.000 1.292 215 S CA -0.288 57.740 58.200 -0.286 0.000 1.010 215 S CB 0.864 64.012 63.200 -0.086 0.000 0.944 215 S HN 0.313 nan 8.310 nan 0.000 0.536 216 Y N 0.543 120.417 120.300 -0.710 0.000 2.481 216 Y HA 0.383 4.933 4.550 0.000 0.000 0.247 216 Y C -0.330 175.203 175.900 -0.611 0.000 1.151 216 Y CA -1.388 56.270 58.100 -0.736 0.000 1.238 216 Y CB 0.001 37.826 38.460 -1.057 0.000 1.179 216 Y HN 0.561 nan 8.280 nan 0.000 0.524 217 W N 1.635 123.054 121.300 0.198 0.000 2.438 217 W HA 0.470 5.130 4.660 0.000 0.000 0.324 217 W C 0.182 176.708 176.519 0.012 0.000 1.119 217 W CA -1.121 56.284 57.345 0.100 0.000 1.221 217 W CB 0.751 30.283 29.460 0.120 0.000 1.253 217 W HN -0.112 nan 8.180 nan 0.000 0.555 218 E N 1.993 122.317 120.200 0.206 0.000 2.415 218 E HA -0.134 4.216 4.350 0.000 0.000 0.262 218 E C 1.469 178.004 176.600 -0.108 0.000 1.038 218 E CA 0.006 56.416 56.400 0.018 0.000 0.921 218 E CB 0.560 30.244 29.700 -0.027 0.000 0.950 218 E HN 0.479 nan 8.360 nan 0.000 0.438 219 E N 2.710 122.766 120.200 -0.240 0.000 2.268 219 E HA -0.267 4.083 4.350 0.000 0.000 0.195 219 E C 0.962 177.374 176.600 -0.314 0.000 0.995 219 E CA 1.046 57.223 56.400 -0.372 0.000 0.836 219 E CB -0.048 29.145 29.700 -0.845 0.000 0.763 219 E HN 0.475 nan 8.360 nan 0.000 0.491 220 Q N 1.084 120.725 119.800 -0.265 0.000 2.181 220 Q HA -0.067 4.273 4.340 0.000 0.000 0.205 220 Q C 1.881 177.778 176.000 -0.172 0.000 0.980 220 Q CA 1.378 57.066 55.803 -0.191 0.000 0.862 220 Q CB -0.287 28.361 28.738 -0.150 0.000 0.905 220 Q HN 0.365 nan 8.270 nan 0.000 0.429 221 N N -0.345 118.203 118.700 -0.254 0.000 2.192 221 N HA -0.122 4.618 4.740 0.000 0.000 0.188 221 N C 1.099 176.484 175.510 -0.208 0.000 1.013 221 N CA 1.856 54.675 53.050 -0.385 0.000 0.863 221 N CB -0.169 37.730 38.487 -0.980 0.000 0.990 221 N HN 0.469 nan 8.380 nan 0.000 0.430 222 T N -4.088 110.401 114.554 -0.109 0.000 3.134 222 T HA 0.478 4.828 4.350 0.000 0.000 0.260 222 T C 1.198 175.960 174.700 0.104 0.000 1.027 222 T CA 0.301 62.438 62.100 0.061 0.000 0.913 222 T CB 0.838 69.825 68.868 0.199 0.000 1.046 222 T HN 0.264 nan 8.240 nan 0.000 0.553 223 G N 0.829 109.648 108.800 0.032 0.000 2.213 223 G HA2 -0.225 3.736 3.960 0.000 0.000 0.236 223 G HA3 -0.225 3.736 3.960 0.000 0.000 0.236 223 G C -0.040 174.911 174.900 0.085 0.000 0.991 223 G CA -0.266 44.895 45.100 0.100 0.000 0.629 223 G HN 0.601 nan 8.290 nan 0.000 0.517 224 Q N 0.272 120.021 119.800 -0.084 0.000 2.237 224 Q HA 0.661 5.001 4.340 0.000 0.000 0.219 224 Q C -0.438 175.386 176.000 -0.292 0.000 0.999 224 Q CA 0.020 55.702 55.803 -0.202 0.000 0.959 224 Q CB 1.130 29.633 28.738 -0.392 0.000 1.173 224 Q HN 0.207 nan 8.270 nan 0.000 0.527 225 D N -0.343 119.891 120.400 -0.277 0.000 2.452 225 D HA 0.161 4.801 4.640 0.000 0.000 0.226 225 D C -1.169 175.111 176.300 -0.034 0.000 1.366 225 D CA -0.278 53.577 54.000 -0.242 0.000 0.986 225 D CB 0.358 41.096 40.800 -0.104 0.000 1.420 225 D HN 0.334 nan 8.370 nan 0.000 0.583 226 F N 2.380 122.231 119.950 -0.166 0.000 2.693 226 F HA 0.285 4.812 4.527 0.000 0.000 0.303 226 F C 1.336 177.030 175.800 -0.177 0.000 1.097 226 F CA -0.412 57.477 58.000 -0.186 0.000 1.330 226 F CB -0.376 38.492 39.000 -0.219 0.000 1.067 226 F HN 0.402 nan 8.300 nan 0.000 0.565 227 K N 0.457 120.846 120.400 -0.018 0.000 3.156 227 K HA -0.228 4.092 4.320 0.000 0.000 0.266 227 K C 1.239 177.801 176.600 -0.064 0.000 0.966 227 K CA 0.464 56.722 56.287 -0.047 0.000 0.719 227 K CB -1.779 30.703 32.500 -0.030 0.000 1.333 227 K HN 0.633 nan 8.250 nan 0.000 0.468 228 G N -1.745 106.977 108.800 -0.131 0.000 2.213 228 G HA2 -0.281 3.679 3.960 0.000 0.000 0.236 228 G HA3 -0.281 3.679 3.960 0.000 0.000 0.236 228 G C 0.244 174.985 174.900 -0.265 0.000 0.991 228 G CA 0.261 45.266 45.100 -0.158 0.000 0.629 228 G HN 0.890 nan 8.290 nan 0.000 0.517 229 A N -0.521 122.168 122.820 -0.219 0.000 2.271 229 A HA 0.823 5.143 4.320 0.000 0.000 0.288 229 A C -0.529 176.820 177.584 -0.391 0.000 1.094 229 A CA -0.181 51.759 52.037 -0.162 0.000 0.828 229 A CB 0.613 19.587 19.000 -0.043 0.000 1.091 229 A HN 0.840 nan 8.150 nan 0.000 0.493 230 Y N -0.327 120.054 120.300 0.136 0.000 2.477 230 Y HA 0.448 4.998 4.550 0.000 0.000 0.347 230 Y C 0.680 176.618 175.900 0.063 0.000 0.981 230 Y CA -0.430 57.768 58.100 0.164 0.000 1.033 230 Y CB 2.101 40.686 38.460 0.208 0.000 1.245 230 Y HN 0.640 nan 8.280 nan 0.000 0.455 231 S N 0.929 116.721 115.700 0.153 0.000 2.525 231 S HA 0.041 4.511 4.470 0.000 0.000 0.285 231 S C 0.793 175.372 174.600 -0.035 0.000 1.283 231 S CA 0.009 58.204 58.200 -0.009 0.000 1.072 231 S CB 0.388 63.557 63.200 -0.051 0.000 0.867 231 S HN 0.783 nan 8.310 nan 0.000 0.492 232 S N 3.678 119.298 115.700 -0.133 0.000 2.446 232 S HA 0.302 4.773 4.470 0.000 0.000 0.225 232 S C 0.732 175.063 174.600 -0.449 0.000 1.016 232 S CA 0.391 58.472 58.200 -0.198 0.000 0.943 232 S CB 0.034 63.167 63.200 -0.111 0.000 0.786 232 S HN 0.892 nan 8.310 nan 0.000 0.508 233 A N 1.531 123.913 122.820 -0.730 0.000 2.346 233 A HA 0.745 5.065 4.320 0.000 0.000 0.313 233 A C -2.952 174.256 177.584 -0.628 0.000 1.140 233 A CA -2.168 49.310 52.037 -0.931 0.000 0.826 233 A CB 0.168 18.116 19.000 -1.753 0.000 1.332 233 A HN 0.006 nan 8.150 nan 0.000 0.457 234 P HA 0.212 nan 4.420 nan 0.000 0.264 234 P C -0.590 176.552 177.300 -0.263 0.000 1.183 234 P CA 0.469 63.219 63.100 -0.582 0.000 0.763 234 P CB 0.299 31.473 31.700 -0.877 0.000 0.807 235 L N 2.721 123.872 121.223 -0.120 0.000 2.544 235 L HA 0.252 4.592 4.340 0.000 0.000 0.256 235 L C 1.950 178.856 176.870 0.060 0.000 1.097 235 L CA -0.827 54.007 54.840 -0.011 0.000 0.812 235 L CB -0.059 42.017 42.059 0.028 0.000 1.440 235 L HN 0.272 nan 8.230 nan 0.000 0.496 236 L N 0.671 121.965 121.223 0.119 0.000 1.991 236 L HA -0.293 4.047 4.340 0.000 0.000 0.221 236 L C 1.817 178.781 176.870 0.158 0.000 1.079 236 L CA 2.183 57.122 54.840 0.165 0.000 0.778 236 L CB -0.550 41.651 42.059 0.237 0.000 0.893 236 L HN 0.626 nan 8.230 nan 0.000 0.437 237 D N -0.808 119.705 120.400 0.187 0.000 2.224 237 D HA -0.122 4.518 4.640 0.000 0.000 0.205 237 D C 1.805 178.181 176.300 0.127 0.000 0.965 237 D CA 1.040 55.134 54.000 0.156 0.000 0.852 237 D CB -0.224 40.695 40.800 0.199 0.000 0.947 237 D HN 0.485 nan 8.370 nan 0.000 0.494 238 D N 0.287 120.762 120.400 0.125 0.000 2.123 238 D HA -0.044 4.596 4.640 0.000 0.000 0.200 238 D C 2.326 178.716 176.300 0.150 0.000 0.976 238 D CA 0.344 54.438 54.000 0.157 0.000 0.831 238 D CB -0.006 40.868 40.800 0.124 0.000 0.974 238 D HN 0.262 nan 8.370 nan 0.000 0.469 239 I N 1.619 122.229 120.570 0.065 0.000 2.127 239 I HA -0.277 3.893 4.170 0.000 0.000 0.241 239 I C 2.613 178.731 176.117 0.003 0.000 1.075 239 I CA 1.156 62.462 61.300 0.011 0.000 1.334 239 I CB -0.291 37.712 38.000 0.006 0.000 1.040 239 I HN -0.082 nan 8.210 nan 0.000 0.405 240 A N 0.728 123.570 122.820 0.036 0.000 1.908 240 A HA -0.204 4.116 4.320 0.000 0.000 0.218 240 A C 2.530 180.119 177.584 0.009 0.000 1.181 240 A CA 2.098 54.148 52.037 0.022 0.000 0.627 240 A CB -0.888 18.139 19.000 0.044 0.000 0.818 240 A HN 0.462 nan 8.150 nan 0.000 0.445 241 A N -0.577 122.263 122.820 0.034 0.000 1.873 241 A HA -0.054 4.266 4.320 0.000 0.000 0.215 241 A C 2.093 179.673 177.584 -0.006 0.000 1.186 241 A CA 1.654 53.699 52.037 0.012 0.000 0.616 241 A CB -0.586 18.436 19.000 0.037 0.000 0.823 241 A HN 0.549 nan 8.150 nan 0.000 0.442 242 I N -0.034 120.578 120.570 0.070 0.000 2.493 242 I HA -0.230 3.940 4.170 0.000 0.000 0.254 242 I C 2.384 178.504 176.117 0.005 0.000 1.160 242 I CA 1.455 62.803 61.300 0.081 0.000 1.445 242 I CB -0.249 37.942 38.000 0.318 0.000 1.086 242 I HN 0.415 nan 8.210 nan 0.000 0.433 243 Q N -0.244 119.539 119.800 -0.027 0.000 2.172 243 Q HA -0.167 4.173 4.340 0.000 0.000 0.200 243 Q C 2.070 178.027 176.000 -0.073 0.000 0.964 243 Q CA 1.084 56.847 55.803 -0.067 0.000 0.855 243 Q CB -0.047 28.616 28.738 -0.125 0.000 0.918 243 Q HN 0.484 nan 8.270 nan 0.000 0.444 244 K N 0.331 120.680 120.400 -0.084 0.000 2.148 244 K HA -0.077 4.243 4.320 0.000 0.000 0.204 244 K C 1.972 178.474 176.600 -0.163 0.000 1.050 244 K CA 0.750 56.980 56.287 -0.095 0.000 0.942 244 K CB 0.076 32.526 32.500 -0.085 0.000 0.724 244 K HN 0.194 nan 8.250 nan 0.000 0.446 245 L N -0.656 120.399 121.223 -0.280 0.000 2.049 245 L HA -0.127 4.213 4.340 0.000 0.000 0.203 245 L C 1.226 177.713 176.870 -0.638 0.000 1.074 245 L CA 1.315 55.803 54.840 -0.588 0.000 0.749 245 L CB -0.015 41.452 42.059 -0.985 0.000 0.907 245 L HN 0.188 nan 8.230 nan 0.000 0.439 246 Y N -0.604 119.690 120.300 -0.010 0.000 2.612 246 Y HA 0.482 5.032 4.550 0.000 0.000 0.250 246 Y C 0.939 176.827 175.900 -0.020 0.000 1.175 246 Y CA -0.206 57.885 58.100 -0.015 0.000 1.205 246 Y CB -0.013 38.431 38.460 -0.027 0.000 1.201 246 Y HN 0.177 nan 8.280 nan 0.000 0.532 247 G N 1.002 109.832 108.800 0.051 0.000 2.787 247 G HA2 0.097 4.057 3.960 0.000 0.000 0.685 247 G HA3 0.097 4.057 3.960 0.000 0.000 0.685 247 G C -0.299 174.600 174.900 -0.002 0.000 1.437 247 G CA -0.747 44.371 45.100 0.030 0.000 0.872 247 G HN 0.635 nan 8.290 nan 0.000 0.566 248 A N 0.637 123.453 122.820 -0.007 0.000 2.363 248 A HA 0.626 4.946 4.320 0.000 0.000 0.270 248 A C 0.646 178.275 177.584 0.075 0.000 1.121 248 A CA 0.043 52.038 52.037 -0.070 0.000 0.800 248 A CB 0.666 19.693 19.000 0.045 0.000 1.052 248 A HN 1.207 nan 8.150 nan 0.000 0.493 249 N N 2.644 121.384 118.700 0.066 0.000 2.439 249 N HA 0.172 4.912 4.740 0.000 0.000 0.243 249 N C 0.156 175.950 175.510 0.474 0.000 1.088 249 N CA -0.075 53.115 53.050 0.234 0.000 0.940 249 N CB 0.310 38.919 38.487 0.203 0.000 1.180 249 N HN 0.611 nan 8.380 nan 0.000 0.505 250 L N 2.255 123.667 121.223 0.315 0.000 2.627 250 L HA 0.073 4.413 4.340 0.000 0.000 0.232 250 L C 1.607 178.577 176.870 0.167 0.000 1.150 250 L CA 0.339 55.336 54.840 0.262 0.000 0.917 250 L CB -0.227 41.941 42.059 0.182 0.000 1.104 250 L HN 0.535 nan 8.230 nan 0.000 0.445 251 T N -5.705 108.953 114.554 0.173 0.000 3.054 251 T HA 0.085 4.435 4.350 0.000 0.000 0.255 251 T C 0.747 175.518 174.700 0.118 0.000 1.035 251 T CA -0.210 61.957 62.100 0.111 0.000 0.941 251 T CB -0.042 68.876 68.868 0.084 0.000 1.026 251 T HN -0.025 nan 8.240 nan 0.000 0.533 252 T N 3.608 118.273 114.554 0.184 0.000 2.749 252 T HA 0.417 4.767 4.350 0.000 0.000 0.295 252 T C 0.126 174.865 174.700 0.066 0.000 0.936 252 T CA -0.561 61.647 62.100 0.179 0.000 1.060 252 T CB 0.487 69.576 68.868 0.368 0.000 0.904 252 T HN 0.387 nan 8.240 nan 0.000 0.500 253 R N 1.113 121.639 120.500 0.043 0.000 3.264 253 R HA -0.175 4.165 4.340 0.000 0.000 0.251 253 R C 1.291 177.564 176.300 -0.045 0.000 0.971 253 R CA 0.755 56.844 56.100 -0.018 0.000 0.658 253 R CB -2.216 28.069 30.300 -0.026 0.000 1.095 253 R HN 0.920 nan 8.270 nan 0.000 0.443 254 T N -3.393 111.145 114.554 -0.028 0.000 3.163 254 T HA 0.083 4.433 4.350 0.000 0.000 0.260 254 T C 1.208 175.885 174.700 -0.039 0.000 1.156 254 T CA 0.491 62.571 62.100 -0.033 0.000 1.072 254 T CB 0.425 69.285 68.868 -0.013 0.000 0.937 254 T HN 0.488 nan 8.240 nan 0.000 0.528 255 G N 0.520 109.291 108.800 -0.049 0.000 2.532 255 G HA2 0.453 4.413 3.960 0.000 0.000 0.291 255 G HA3 0.453 4.413 3.960 0.000 0.000 0.291 255 G C -1.071 173.789 174.900 -0.066 0.000 1.349 255 G CA -0.812 44.256 45.100 -0.053 0.000 1.038 255 G HN 0.258 nan 8.290 nan 0.000 0.518 256 D N 1.148 121.507 120.400 -0.068 0.000 2.374 256 D HA 0.307 4.947 4.640 0.000 0.000 0.240 256 D C 0.123 176.354 176.300 -0.115 0.000 1.229 256 D CA 0.388 54.345 54.000 -0.072 0.000 0.895 256 D CB 0.615 41.381 40.800 -0.058 0.000 1.046 256 D HN 0.124 nan 8.370 nan 0.000 0.498 257 T N 0.523 114.990 114.554 -0.145 0.000 2.829 257 T HA 0.458 4.808 4.350 0.000 0.000 0.282 257 T C 0.382 174.878 174.700 -0.340 0.000 0.990 257 T CA -0.762 61.160 62.100 -0.296 0.000 1.028 257 T CB 1.858 70.480 68.868 -0.410 0.000 0.951 257 T HN -0.042 nan 8.240 nan 0.000 0.460 258 V N 3.281 122.933 119.914 -0.437 0.000 2.417 258 V HA 0.440 4.560 4.120 0.000 0.000 0.291 258 V C -1.181 174.606 176.094 -0.512 0.000 1.024 258 V CA -0.924 61.184 62.300 -0.321 0.000 0.861 258 V CB 0.736 32.443 31.823 -0.194 0.000 0.985 258 V HN 0.810 nan 8.190 nan 0.000 0.436 259 Y N 2.648 122.823 120.300 -0.208 0.000 2.409 259 Y HA 0.807 5.357 4.550 0.000 0.000 0.339 259 Y C 0.945 176.794 175.900 -0.085 0.000 1.033 259 Y CA 0.706 58.665 58.100 -0.236 0.000 1.094 259 Y CB 2.008 40.310 38.460 -0.262 0.000 1.210 259 Y HN 0.955 nan 8.280 nan 0.000 0.456 260 G N 1.560 110.443 108.800 0.139 0.000 2.709 260 G HA2 -0.226 3.734 3.960 0.000 0.000 0.228 260 G HA3 -0.226 3.734 3.960 0.000 0.000 0.228 260 G C -0.821 174.074 174.900 -0.008 0.000 1.215 260 G CA -0.866 44.382 45.100 0.246 0.000 1.003 260 G HN 0.398 nan 8.290 nan 0.000 0.584 261 F N 2.725 122.706 119.950 0.051 0.000 2.410 261 F HA 0.465 4.992 4.527 0.000 0.000 0.334 261 F C 1.550 177.307 175.800 -0.072 0.000 1.134 261 F CA 0.765 58.740 58.000 -0.041 0.000 1.227 261 F CB 0.635 39.581 39.000 -0.090 0.000 1.194 261 F HN 0.530 nan 8.300 nan 0.000 0.571 262 N N 0.034 118.794 118.700 0.100 0.000 2.725 262 N HA -0.228 4.512 4.740 0.000 0.000 0.249 262 N C -0.162 175.310 175.510 -0.062 0.000 1.103 262 N CA 0.712 53.766 53.050 0.007 0.000 0.707 262 N CB -1.446 37.041 38.487 -0.001 0.000 1.043 262 N HN 0.450 nan 8.380 nan 0.000 0.553 263 S N 0.891 116.536 115.700 -0.092 0.000 2.562 263 S HA 0.189 4.659 4.470 0.000 0.000 0.281 263 S C 1.243 175.736 174.600 -0.178 0.000 1.333 263 S CA -0.087 58.011 58.200 -0.171 0.000 1.052 263 S CB 0.435 63.522 63.200 -0.187 0.000 0.884 263 S HN 0.458 nan 8.310 nan 0.000 0.506 264 N N 1.462 120.021 118.700 -0.235 0.000 2.238 264 N HA 0.062 4.802 4.740 0.000 0.000 0.235 264 N C -0.427 174.953 175.510 -0.217 0.000 1.209 264 N CA -0.345 52.589 53.050 -0.194 0.000 0.879 264 N CB 0.005 38.392 38.487 -0.166 0.000 1.136 264 N HN 0.500 nan 8.380 nan 0.000 0.517 265 T N -1.611 112.778 114.554 -0.274 0.000 2.738 265 T HA 0.329 4.679 4.350 0.000 0.000 0.298 265 T C -0.037 174.564 174.700 -0.165 0.000 0.962 265 T CA -0.593 61.366 62.100 -0.236 0.000 0.972 265 T CB 1.042 69.729 68.868 -0.301 0.000 0.928 265 T HN 0.043 nan 8.240 nan 0.000 0.474 266 E N 3.234 123.363 120.200 -0.118 0.000 2.323 266 E HA 0.109 4.459 4.350 0.000 0.000 0.313 266 E C -0.070 176.447 176.600 -0.138 0.000 1.236 266 E CA -0.296 56.038 56.400 -0.109 0.000 1.333 266 E CB 0.024 29.682 29.700 -0.070 0.000 1.138 266 E HN 0.278 nan 8.360 nan 0.000 0.492 267 R N 1.418 121.782 120.500 -0.227 0.000 2.502 267 R HA 0.045 4.385 4.340 0.000 0.000 0.298 267 R C 0.186 176.178 176.300 -0.514 0.000 1.018 267 R CA -0.570 55.259 56.100 -0.451 0.000 0.899 267 R CB 1.068 30.918 30.300 -0.750 0.000 1.181 267 R HN 0.329 nan 8.270 nan 0.000 0.444 268 D N 2.574 122.753 120.400 -0.369 0.000 2.149 268 D HA -0.214 4.426 4.640 0.000 0.000 0.198 268 D C 1.275 177.454 176.300 -0.201 0.000 0.990 268 D CA 1.441 55.315 54.000 -0.211 0.000 0.839 268 D CB -0.311 40.448 40.800 -0.069 0.000 0.948 268 D HN 0.571 nan 8.370 nan 0.000 0.460 269 F N -1.906 117.956 119.950 -0.145 0.000 2.802 269 F HA 0.215 4.742 4.527 0.000 0.000 0.300 269 F C 1.130 176.815 175.800 -0.191 0.000 1.168 269 F CA -0.305 57.603 58.000 -0.154 0.000 1.433 269 F CB -0.551 38.318 39.000 -0.219 0.000 1.115 269 F HN -0.202 nan 8.300 nan 0.000 0.582 270 Y N 0.558 120.529 120.300 -0.547 0.000 2.467 270 Y HA 0.362 4.912 4.550 0.000 0.000 0.250 270 Y C 0.434 176.094 175.900 -0.400 0.000 1.155 270 Y CA -1.293 56.409 58.100 -0.663 0.000 1.249 270 Y CB -0.140 37.969 38.460 -0.584 0.000 1.146 270 Y HN -0.053 nan 8.280 nan 0.000 0.524 271 S N 0.392 116.021 115.700 -0.119 0.000 2.509 271 S HA 0.793 5.263 4.470 0.000 0.000 0.297 271 S C -0.262 174.270 174.600 -0.113 0.000 1.118 271 S CA -0.772 57.359 58.200 -0.116 0.000 1.074 271 S CB 1.767 64.884 63.200 -0.139 0.000 1.038 271 S HN 0.169 nan 8.310 nan 0.000 0.498 272 A N 1.447 124.107 122.820 -0.265 0.000 2.318 272 A HA 0.645 4.965 4.320 0.000 0.000 0.324 272 A C 0.919 178.204 177.584 -0.500 0.000 1.170 272 A CA -0.595 51.139 52.037 -0.505 0.000 0.810 272 A CB 0.616 18.913 19.000 -1.173 0.000 1.198 272 A HN 0.863 nan 8.150 nan 0.000 0.484 273 T N -1.554 112.844 114.554 -0.260 0.000 2.990 273 T HA 0.387 4.737 4.350 0.000 0.000 0.250 273 T C 0.638 175.352 174.700 0.023 0.000 1.041 273 T CA 0.804 62.849 62.100 -0.091 0.000 1.010 273 T CB -0.428 68.414 68.868 -0.043 0.000 1.003 273 T HN 1.663 nan 8.240 nan 0.000 0.499 274 S N 0.163 115.890 115.700 0.044 0.000 2.636 274 S HA 0.452 4.922 4.470 0.000 0.000 0.268 274 S C 0.812 175.563 174.600 0.253 0.000 1.159 274 S CA -0.024 58.282 58.200 0.176 0.000 0.815 274 S CB 1.046 64.309 63.200 0.104 0.000 1.130 274 S HN 0.244 nan 8.310 nan 0.000 0.471 275 S N 0.800 116.636 115.700 0.227 0.000 2.474 275 S HA -0.049 4.421 4.470 0.000 0.000 0.235 275 S C 1.559 176.398 174.600 0.398 0.000 0.997 275 S CA 1.017 59.382 58.200 0.275 0.000 0.949 275 S CB -0.919 62.375 63.200 0.156 0.000 0.766 275 S HN 1.209 nan 8.310 nan 0.000 0.517 276 S N 0.860 116.715 115.700 0.258 0.000 2.558 276 S HA 0.208 4.678 4.470 0.000 0.000 0.217 276 S C 0.629 175.357 174.600 0.214 0.000 0.975 276 S CA -0.422 57.901 58.200 0.205 0.000 0.912 276 S CB -0.378 62.893 63.200 0.118 0.000 0.776 276 S HN 0.316 nan 8.310 nan 0.000 0.526 277 S N 2.425 118.297 115.700 0.286 0.000 2.552 277 S HA 0.161 4.631 4.470 0.000 0.000 0.289 277 S C -0.011 174.711 174.600 0.203 0.000 1.304 277 S CA 0.030 58.365 58.200 0.226 0.000 1.063 277 S CB 0.329 63.637 63.200 0.180 0.000 0.848 277 S HN 0.409 nan 8.310 nan 0.000 0.499 278 K N 2.831 123.282 120.400 0.085 0.000 2.389 278 K HA 0.388 4.708 4.320 0.000 0.000 0.261 278 K C -0.815 175.784 176.600 -0.001 0.000 1.014 278 K CA -0.195 56.088 56.287 -0.007 0.000 0.920 278 K CB 0.743 33.234 32.500 -0.015 0.000 1.149 278 K HN 0.457 nan 8.250 nan 0.000 0.444 279 L N 2.786 123.987 121.223 -0.036 0.000 2.357 279 L HA 0.560 4.900 4.340 0.000 0.000 0.273 279 L C -0.389 176.380 176.870 -0.168 0.000 1.080 279 L CA -1.108 53.758 54.840 0.044 0.000 0.803 279 L CB 1.442 43.608 42.059 0.178 0.000 1.174 279 L HN 0.229 nan 8.230 nan 0.000 0.443 280 V N 3.606 123.473 119.914 -0.078 0.000 2.610 280 V HA 0.471 4.591 4.120 0.000 0.000 0.288 280 V C -0.922 175.151 176.094 -0.036 0.000 1.055 280 V CA -0.532 61.553 62.300 -0.358 0.000 0.902 280 V CB 1.142 32.658 31.823 -0.511 0.000 1.030 280 V HN 0.654 nan 8.190 nan 0.000 0.448 281 F N 1.478 121.362 119.950 -0.109 0.000 2.741 281 F HA 0.856 5.383 4.527 0.000 0.000 0.311 281 F C -0.815 175.031 175.800 0.076 0.000 1.149 281 F CA -1.018 57.002 58.000 0.034 0.000 0.930 281 F CB 1.797 40.972 39.000 0.291 0.000 1.312 281 F HN 0.203 nan 8.300 nan 0.000 0.450 282 S N 1.401 117.359 115.700 0.430 0.000 2.552 282 S HA 0.694 5.164 4.470 0.000 0.000 0.314 282 S C -1.300 173.606 174.600 0.510 0.000 1.099 282 S CA -0.563 57.829 58.200 0.320 0.000 1.070 282 S CB 1.231 64.536 63.200 0.174 0.000 0.998 282 S HN 0.685 nan 8.310 nan 0.000 0.474 283 V N 6.513 126.651 119.914 0.374 0.000 2.508 283 V HA 0.295 4.415 4.120 0.000 0.000 0.281 283 V C -0.103 176.122 176.094 0.218 0.000 1.041 283 V CA -0.279 62.102 62.300 0.136 0.000 1.016 283 V CB 0.507 32.156 31.823 -0.291 0.000 0.984 283 V HN 0.839 nan 8.190 nan 0.000 0.478 284 W N 6.443 127.825 121.300 0.137 0.000 2.538 284 W HA 0.525 5.185 4.660 0.000 0.000 0.322 284 W C -1.399 175.196 176.519 0.127 0.000 1.028 284 W CA -0.613 56.813 57.345 0.136 0.000 1.228 284 W CB 1.667 31.235 29.460 0.179 0.000 1.356 284 W HN 0.593 nan 8.180 nan 0.000 0.452 285 D N 3.841 123.661 120.400 -0.966 0.000 2.990 285 D HA 0.384 5.024 4.640 0.000 0.000 0.227 285 D C -0.291 175.522 176.300 -0.812 0.000 1.249 285 D CA -0.175 53.448 54.000 -0.628 0.000 0.891 285 D CB 2.512 43.171 40.800 -0.234 0.000 1.647 285 D HN 0.432 nan 8.370 nan 0.000 0.530 286 A N 1.951 124.463 122.820 -0.514 0.000 2.308 286 A HA 0.614 4.935 4.320 0.000 0.000 0.217 286 A C 0.804 178.294 177.584 -0.156 0.000 1.216 286 A CA 0.759 52.605 52.037 -0.318 0.000 0.864 286 A CB 0.238 19.186 19.000 -0.087 0.000 0.902 286 A HN 0.637 nan 8.150 nan 0.000 0.499 287 G N -3.106 105.611 108.800 -0.139 0.000 2.338 287 G HA2 0.595 4.555 3.960 0.000 0.000 0.295 287 G HA3 0.595 4.555 3.960 0.000 0.000 0.295 287 G C -0.016 174.848 174.900 -0.060 0.000 1.461 287 G CA 0.195 45.249 45.100 -0.077 0.000 0.817 287 G HN 1.926 nan 8.290 nan 0.000 0.556 288 G N -0.415 108.361 108.800 -0.040 0.000 2.757 288 G HA2 0.238 4.198 3.960 0.000 0.000 0.638 288 G HA3 0.238 4.198 3.960 0.000 0.000 0.638 288 G C -0.393 174.492 174.900 -0.026 0.000 1.344 288 G CA 0.144 45.224 45.100 -0.033 0.000 0.855 288 G HN 1.778 nan 8.290 nan 0.000 0.537 289 N N 1.362 120.048 118.700 -0.022 0.000 2.437 289 N HA 0.433 5.173 4.740 0.000 0.000 0.243 289 N C -0.644 174.857 175.510 -0.016 0.000 1.041 289 N CA -0.220 52.822 53.050 -0.013 0.000 0.940 289 N CB 0.418 38.898 38.487 -0.011 0.000 1.133 289 N HN 0.488 nan 8.380 nan 0.000 0.506 290 D N 1.905 122.306 120.400 0.002 0.000 2.228 290 D HA 0.412 5.052 4.640 0.000 0.000 0.247 290 D C -0.427 175.891 176.300 0.029 0.000 0.995 290 D CA -0.205 53.811 54.000 0.027 0.000 0.903 290 D CB 1.737 42.593 40.800 0.093 0.000 1.205 290 D HN 0.346 nan 8.370 nan 0.000 0.459 291 T N 0.936 115.510 114.554 0.033 0.000 2.893 291 T HA 0.345 4.695 4.350 0.000 0.000 0.293 291 T C -0.533 174.166 174.700 -0.001 0.000 1.027 291 T CA -0.605 61.493 62.100 -0.004 0.000 0.988 291 T CB 1.415 70.254 68.868 -0.050 0.000 1.043 291 T HN 0.021 nan 8.240 nan 0.000 0.461 292 L N 3.408 124.568 121.223 -0.105 0.000 2.272 292 L HA 0.380 4.720 4.340 0.000 0.000 0.284 292 L C -0.094 176.422 176.870 -0.589 0.000 1.045 292 L CA -0.414 54.216 54.840 -0.349 0.000 0.842 292 L CB 0.679 42.533 42.059 -0.342 0.000 1.224 292 L HN 0.593 nan 8.230 nan 0.000 0.430 293 D N 3.335 123.469 120.400 -0.443 0.000 2.411 293 D HA 0.152 4.792 4.640 0.000 0.000 0.225 293 D C -0.360 175.893 176.300 -0.077 0.000 1.156 293 D CA -0.159 53.705 54.000 -0.227 0.000 0.874 293 D CB 0.400 41.171 40.800 -0.048 0.000 1.034 293 D HN 0.168 nan 8.370 nan 0.000 0.502 294 F N 1.596 121.710 119.950 0.274 0.000 2.855 294 F HA 0.095 4.622 4.527 0.000 0.000 0.317 294 F C 2.181 178.066 175.800 0.142 0.000 1.169 294 F CA -0.549 57.695 58.000 0.407 0.000 1.299 294 F CB -0.270 38.989 39.000 0.432 0.000 0.962 294 F HN 0.267 nan 8.300 nan 0.000 0.506 295 S N -0.781 114.929 115.700 0.017 0.000 2.399 295 S HA -0.118 4.352 4.470 0.000 0.000 0.231 295 S C 2.297 176.589 174.600 -0.513 0.000 1.022 295 S CA 1.240 59.313 58.200 -0.211 0.000 0.983 295 S CB -0.796 62.267 63.200 -0.228 0.000 0.803 295 S HN 0.413 nan 8.310 nan 0.000 0.480 296 G N 0.187 108.165 108.800 -1.370 0.000 2.679 296 G HA2 0.198 4.158 3.960 0.000 0.000 0.212 296 G HA3 0.198 4.158 3.960 0.000 0.000 0.212 296 G C 0.041 174.534 174.900 -0.678 0.000 1.137 296 G CA -0.176 44.006 45.100 -1.529 0.000 0.787 296 G HN 0.448 nan 8.290 nan 0.000 0.534 297 F N 0.681 120.580 119.950 -0.085 0.000 2.385 297 F HA 0.361 4.888 4.527 0.000 0.000 0.336 297 F C 1.496 177.297 175.800 0.002 0.000 1.100 297 F CA -0.883 57.153 58.000 0.061 0.000 1.116 297 F CB 1.982 41.065 39.000 0.138 0.000 1.166 297 F HN 0.003 nan 8.300 nan 0.000 0.511 298 S N -0.258 115.569 115.700 0.211 0.000 2.535 298 S HA 0.153 4.623 4.470 0.000 0.000 0.214 298 S C 0.360 175.006 174.600 0.077 0.000 0.980 298 S CA -0.409 57.850 58.200 0.100 0.000 0.907 298 S CB -0.318 62.920 63.200 0.064 0.000 0.790 298 S HN 0.633 nan 8.310 nan 0.000 0.510 299 Q N 2.245 122.097 119.800 0.087 0.000 2.382 299 Q HA 0.413 4.753 4.340 0.000 0.000 0.229 299 Q C -0.590 175.410 176.000 -0.000 0.000 1.006 299 Q CA -0.272 55.541 55.803 0.018 0.000 0.916 299 Q CB 0.209 28.928 28.738 -0.031 0.000 1.235 299 Q HN 0.198 nan 8.270 nan 0.000 0.512 300 N N 1.705 120.386 118.700 -0.031 0.000 2.442 300 N HA 0.083 4.823 4.740 0.000 0.000 0.265 300 N C -0.940 174.521 175.510 -0.083 0.000 1.138 300 N CA 0.069 53.090 53.050 -0.049 0.000 0.956 300 N CB 0.563 39.015 38.487 -0.059 0.000 1.067 300 N HN 0.359 nan 8.380 nan 0.000 0.474 301 Q N 1.384 121.135 119.800 -0.082 0.000 2.351 301 Q HA 0.535 4.875 4.340 0.000 0.000 0.273 301 Q C -0.686 175.205 176.000 -0.181 0.000 1.077 301 Q CA -0.880 54.849 55.803 -0.122 0.000 0.843 301 Q CB 2.419 31.121 28.738 -0.060 0.000 1.367 301 Q HN 0.284 nan 8.270 nan 0.000 0.449 302 K N 1.716 121.953 120.400 -0.272 0.000 2.579 302 K HA 0.509 4.830 4.320 0.000 0.000 0.250 302 K C -1.179 175.302 176.600 -0.197 0.000 0.952 302 K CA -0.216 55.774 56.287 -0.495 0.000 0.857 302 K CB 1.337 33.054 32.500 -1.306 0.000 1.123 302 K HN 0.436 nan 8.250 nan 0.000 0.433 303 I N 1.872 122.451 120.570 0.015 0.000 2.404 303 I HA 0.286 4.456 4.170 0.000 0.000 0.293 303 I C -0.501 175.786 176.117 0.283 0.000 0.992 303 I CA -0.690 60.738 61.300 0.212 0.000 1.149 303 I CB 1.742 39.901 38.000 0.265 0.000 1.315 303 I HN 0.572 nan 8.210 nan 0.000 0.446 304 N N 5.683 124.573 118.700 0.317 0.000 2.461 304 N HA 0.407 5.147 4.740 0.000 0.000 0.284 304 N C 0.037 175.652 175.510 0.176 0.000 1.049 304 N CA -0.545 52.657 53.050 0.253 0.000 0.889 304 N CB 1.282 39.913 38.487 0.240 0.000 1.365 304 N HN 0.607 nan 8.380 nan 0.000 0.499 305 L N 1.557 122.869 121.223 0.149 0.000 2.591 305 L HA 0.186 4.526 4.340 0.000 0.000 0.228 305 L C 0.493 177.420 176.870 0.093 0.000 1.133 305 L CA -0.019 54.890 54.840 0.115 0.000 0.880 305 L CB -0.459 41.663 42.059 0.105 0.000 1.033 305 L HN 0.557 nan 8.230 nan 0.000 0.450 306 N N 2.203 120.960 118.700 0.095 0.000 2.492 306 N HA 0.021 4.761 4.740 0.000 0.000 0.260 306 N C 0.024 175.580 175.510 0.077 0.000 1.215 306 N CA 0.073 53.172 53.050 0.082 0.000 0.923 306 N CB 0.816 39.349 38.487 0.076 0.000 1.092 306 N HN 0.328 nan 8.380 nan 0.000 0.448 307 E N 1.229 121.473 120.200 0.074 0.000 2.398 307 E HA 0.040 4.390 4.350 0.000 0.000 0.263 307 E C -0.195 176.459 176.600 0.089 0.000 1.046 307 E CA -0.217 56.231 56.400 0.080 0.000 0.908 307 E CB 0.690 30.439 29.700 0.081 0.000 0.963 307 E HN 0.474 nan 8.360 nan 0.000 0.431 308 K N -1.024 119.437 120.400 0.103 0.000 3.553 308 K HA -0.222 4.098 4.320 0.000 0.000 0.303 308 K C -0.156 176.512 176.600 0.112 0.000 1.327 308 K CA 0.876 57.232 56.287 0.114 0.000 0.983 308 K CB -1.695 30.868 32.500 0.105 0.000 1.275 308 K HN 0.694 nan 8.250 nan 0.000 0.453 309 A N 1.378 124.251 122.820 0.089 0.000 2.302 309 A HA 0.654 4.974 4.320 0.000 0.000 0.285 309 A C 0.231 177.852 177.584 0.062 0.000 1.105 309 A CA -0.559 51.519 52.037 0.069 0.000 0.816 309 A CB 0.481 19.505 19.000 0.040 0.000 1.067 309 A HN 0.210 nan 8.150 nan 0.000 0.489 310 L N 1.026 122.277 121.223 0.047 0.000 2.334 310 L HA 0.618 4.958 4.340 0.000 0.000 0.272 310 L C 0.132 177.079 176.870 0.128 0.000 1.020 310 L CA -0.505 54.332 54.840 -0.005 0.000 0.812 310 L CB 1.860 43.783 42.059 -0.225 0.000 1.264 310 L HN 0.667 nan 8.230 nan 0.000 0.439 311 S N -0.477 115.301 115.700 0.129 0.000 2.600 311 S HA 0.415 4.885 4.470 0.000 0.000 0.300 311 S C -1.267 173.415 174.600 0.136 0.000 1.087 311 S CA -0.782 57.594 58.200 0.294 0.000 0.965 311 S CB 1.966 65.257 63.200 0.152 0.000 1.089 311 S HN 0.474 nan 8.310 nan 0.000 0.496 312 D N 2.070 122.542 120.400 0.120 0.000 2.485 312 D HA 0.418 5.058 4.640 0.000 0.000 0.221 312 D C -0.778 175.401 176.300 -0.201 0.000 1.112 312 D CA -0.064 53.919 54.000 -0.028 0.000 0.911 312 D CB 0.879 41.679 40.800 0.000 0.000 1.019 312 D HN 0.095 nan 8.370 nan 0.000 0.516 313 V N 0.693 120.402 119.914 -0.342 0.000 2.483 313 V HA 0.578 4.698 4.120 0.000 0.000 0.295 313 V C 1.328 177.023 176.094 -0.664 0.000 1.035 313 V CA -0.677 61.282 62.300 -0.569 0.000 0.896 313 V CB 1.611 32.866 31.823 -0.946 0.000 0.986 313 V HN 0.772 nan 8.190 nan 0.000 0.447 314 G N 3.250 111.542 108.800 -0.846 0.000 2.321 314 G HA2 0.039 4.000 3.960 0.000 0.000 0.287 314 G HA3 0.039 4.000 3.960 0.000 0.000 0.287 314 G C 1.160 175.706 174.900 -0.590 0.000 1.018 314 G CA 0.957 45.307 45.100 -1.251 0.000 0.855 314 G HN 2.255 nan 8.290 nan 0.000 0.507 315 G N -2.158 106.443 108.800 -0.332 0.000 2.258 315 G HA2 -0.198 3.762 3.960 0.000 0.000 0.233 315 G HA3 -0.198 3.762 3.960 0.000 0.000 0.233 315 G C 0.532 175.345 174.900 -0.144 0.000 1.006 315 G CA 0.433 45.422 45.100 -0.185 0.000 0.620 315 G HN 1.264 nan 8.290 nan 0.000 0.511 316 L N -0.019 121.097 121.223 -0.179 0.000 2.431 316 L HA 0.670 5.010 4.340 0.000 0.000 0.260 316 L C 0.459 177.296 176.870 -0.055 0.000 1.098 316 L CA -0.824 53.964 54.840 -0.087 0.000 0.800 316 L CB 1.029 43.039 42.059 -0.081 0.000 1.210 316 L HN -0.022 nan 8.230 nan 0.000 0.465 317 K N -0.026 120.392 120.400 0.030 0.000 2.292 317 K HA 0.414 4.734 4.320 0.000 0.000 0.257 317 K C 0.286 176.927 176.600 0.069 0.000 0.940 317 K CA -0.313 56.020 56.287 0.077 0.000 0.811 317 K CB 1.749 34.316 32.500 0.112 0.000 1.120 317 K HN 0.843 nan 8.250 nan 0.000 0.428 318 G N 2.677 111.478 108.800 0.001 0.000 2.305 318 G HA2 -0.339 3.621 3.960 0.000 0.000 0.287 318 G HA3 -0.339 3.621 3.960 0.000 0.000 0.287 318 G C 0.270 175.096 174.900 -0.123 0.000 1.036 318 G CA 1.056 45.985 45.100 -0.285 0.000 0.887 318 G HN 0.934 nan 8.290 nan 0.000 0.505 319 N N -2.074 116.524 118.700 -0.170 0.000 2.392 319 N HA 0.301 5.041 4.740 0.000 0.000 0.177 319 N C 0.357 175.532 175.510 -0.558 0.000 1.066 319 N CA 0.337 53.098 53.050 -0.482 0.000 0.895 319 N CB 0.750 38.930 38.487 -0.512 0.000 0.988 319 N HN 0.295 nan 8.380 nan 0.000 0.457 320 V N 1.045 120.694 119.914 -0.441 0.000 2.540 320 V HA 0.554 4.674 4.120 0.000 0.000 0.302 320 V C -0.495 175.460 176.094 -0.231 0.000 1.035 320 V CA -0.764 61.237 62.300 -0.498 0.000 0.873 320 V CB 1.504 33.000 31.823 -0.546 0.000 0.992 320 V HN 0.451 nan 8.190 nan 0.000 0.428 321 S N 4.986 120.598 115.700 -0.147 0.000 2.627 321 S HA 0.826 5.296 4.470 0.000 0.000 0.283 321 S C -1.064 173.572 174.600 0.060 0.000 1.127 321 S CA -0.838 57.352 58.200 -0.017 0.000 0.863 321 S CB 2.150 65.351 63.200 0.002 0.000 1.121 321 S HN 0.446 nan 8.310 nan 0.000 0.479 322 I N 1.600 122.220 120.570 0.084 0.000 2.418 322 I HA 0.574 4.744 4.170 0.000 0.000 0.287 322 I C 0.614 176.810 176.117 0.132 0.000 1.008 322 I CA -0.909 60.447 61.300 0.093 0.000 1.104 322 I CB 1.682 39.719 38.000 0.063 0.000 1.264 322 I HN 0.984 nan 8.210 nan 0.000 0.438 323 A N 4.715 127.648 122.820 0.187 0.000 2.429 323 A HA 0.584 4.904 4.320 0.000 0.000 0.242 323 A C 0.535 178.255 177.584 0.226 0.000 1.088 323 A CA -0.137 52.049 52.037 0.247 0.000 0.784 323 A CB 0.234 19.480 19.000 0.410 0.000 1.038 323 A HN 0.839 nan 8.150 nan 0.000 0.501 324 A N -0.217 122.738 122.820 0.224 0.000 2.488 324 A HA 0.509 4.829 4.320 0.000 0.000 0.249 324 A C 1.433 179.167 177.584 0.251 0.000 1.083 324 A CA 0.639 52.789 52.037 0.188 0.000 0.768 324 A CB -0.848 18.240 19.000 0.147 0.000 1.017 324 A HN 2.750 nan 8.150 nan 0.000 0.496 325 G N 0.987 109.894 108.800 0.179 0.000 2.141 325 G HA2 -0.094 3.866 3.960 0.000 0.000 0.242 325 G HA3 -0.094 3.866 3.960 0.000 0.000 0.242 325 G C -0.032 174.919 174.900 0.084 0.000 0.982 325 G CA 0.082 45.285 45.100 0.172 0.000 0.662 325 G HN 1.417 nan 8.290 nan 0.000 0.527 326 V N 0.744 120.685 119.914 0.046 0.000 2.555 326 V HA 0.728 4.848 4.120 0.000 0.000 0.302 326 V C 0.199 176.272 176.094 -0.035 0.000 1.038 326 V CA -0.197 62.057 62.300 -0.077 0.000 0.887 326 V CB 2.047 33.809 31.823 -0.102 0.000 0.991 326 V HN 0.257 nan 8.190 nan 0.000 0.434 327 T N 4.147 118.666 114.554 -0.059 0.000 2.893 327 T HA 0.452 4.802 4.350 0.000 0.000 0.324 327 T C -0.326 174.358 174.700 -0.027 0.000 1.082 327 T CA -0.271 61.817 62.100 -0.021 0.000 0.983 327 T CB 1.078 69.941 68.868 -0.009 0.000 1.005 327 T HN 0.324 nan 8.240 nan 0.000 0.475 328 V N 3.934 123.841 119.914 -0.012 0.000 2.439 328 V HA 0.265 4.385 4.120 0.000 0.000 0.282 328 V C 0.841 176.948 176.094 0.022 0.000 1.039 328 V CA -0.405 61.892 62.300 -0.004 0.000 0.913 328 V CB 1.587 33.402 31.823 -0.013 0.000 0.983 328 V HN 0.783 nan 8.190 nan 0.000 0.460 329 E N 2.093 122.308 120.200 0.024 0.000 2.166 329 E HA 0.123 4.473 4.350 0.000 0.000 0.192 329 E C 0.218 176.845 176.600 0.044 0.000 0.967 329 E CA 0.597 57.017 56.400 0.034 0.000 0.840 329 E CB 0.214 29.930 29.700 0.027 0.000 0.795 329 E HN 0.719 nan 8.360 nan 0.000 0.470 330 N N -0.329 118.392 118.700 0.034 0.000 2.380 330 N HA 0.681 5.421 4.740 0.000 0.000 0.290 330 N C -1.179 174.342 175.510 0.019 0.000 1.236 330 N CA -0.657 52.414 53.050 0.035 0.000 0.780 330 N CB 2.132 40.629 38.487 0.018 0.000 1.438 330 N HN 0.013 nan 8.380 nan 0.000 0.491 331 A N 0.532 123.368 122.820 0.027 0.000 2.520 331 A HA 0.725 5.045 4.320 0.000 0.000 0.298 331 A C -1.304 176.291 177.584 0.018 0.000 1.051 331 A CA -0.597 51.445 52.037 0.008 0.000 0.690 331 A CB 1.058 20.106 19.000 0.080 0.000 1.281 331 A HN 0.579 nan 8.150 nan 0.000 0.402 332 I N 2.117 122.679 120.570 -0.014 0.000 2.447 332 I HA 0.516 4.686 4.170 0.000 0.000 0.287 332 I C 0.859 177.032 176.117 0.093 0.000 1.023 332 I CA -0.570 60.736 61.300 0.011 0.000 1.083 332 I CB 2.134 40.106 38.000 -0.047 0.000 1.245 332 I HN 0.798 nan 8.210 nan 0.000 0.434 333 G N 3.472 112.335 108.800 0.106 0.000 2.557 333 G HA2 0.643 4.603 3.960 0.000 0.000 0.292 333 G HA3 0.643 4.603 3.960 0.000 0.000 0.292 333 G C 0.067 175.030 174.900 0.105 0.000 1.237 333 G CA -0.272 44.916 45.100 0.148 0.000 0.978 333 G HN 0.706 nan 8.290 nan 0.000 0.498 334 G N -1.549 107.319 108.800 0.114 0.000 2.828 334 G HA2 0.405 4.365 3.960 0.000 0.000 0.244 334 G HA3 0.405 4.365 3.960 0.000 0.000 0.244 334 G C 1.246 176.162 174.900 0.026 0.000 1.365 334 G CA 0.706 45.840 45.100 0.057 0.000 1.041 334 G HN 1.082 nan 8.290 nan 0.000 0.560 335 S N -1.187 114.518 115.700 0.009 0.000 2.607 335 S HA 0.211 4.681 4.470 0.000 0.000 0.224 335 S C 1.230 175.835 174.600 0.009 0.000 0.969 335 S CA 0.381 58.582 58.200 0.001 0.000 0.927 335 S CB -0.270 62.923 63.200 -0.012 0.000 0.772 335 S HN 0.845 nan 8.310 nan 0.000 0.533 336 G N 0.690 109.502 108.800 0.021 0.000 2.580 336 G HA2 0.466 4.426 3.960 0.000 0.000 0.278 336 G HA3 0.466 4.426 3.960 0.000 0.000 0.278 336 G C -0.677 174.221 174.900 -0.003 0.000 1.212 336 G CA -0.749 44.357 45.100 0.009 0.000 0.939 336 G HN 0.278 nan 8.290 nan 0.000 0.513 337 S N 1.269 116.958 115.700 -0.018 0.000 2.405 337 S HA 0.249 4.719 4.470 0.000 0.000 0.291 337 S C -0.410 174.164 174.600 -0.044 0.000 1.137 337 S CA -0.430 57.751 58.200 -0.031 0.000 1.061 337 S CB 0.314 63.492 63.200 -0.037 0.000 1.001 337 S HN 0.498 nan 8.310 nan 0.000 0.507 338 D N 1.860 122.237 120.400 -0.038 0.000 2.385 338 D HA 0.418 5.058 4.640 0.000 0.000 0.254 338 D C -0.351 175.907 176.300 -0.070 0.000 1.053 338 D CA -0.548 53.422 54.000 -0.049 0.000 0.992 338 D CB 1.201 42.000 40.800 -0.002 0.000 1.145 338 D HN 0.297 nan 8.370 nan 0.000 0.523 339 L N 1.293 122.457 121.223 -0.098 0.000 2.372 339 L HA 0.329 4.669 4.340 0.000 0.000 0.273 339 L C -1.719 175.124 176.870 -0.044 0.000 0.989 339 L CA -0.703 54.075 54.840 -0.102 0.000 0.841 339 L CB 0.808 42.741 42.059 -0.209 0.000 1.225 339 L HN 0.124 nan 8.230 nan 0.000 0.414 340 L N 6.315 127.554 121.223 0.026 0.000 2.319 340 L HA 0.515 4.855 4.340 0.000 0.000 0.281 340 L C -0.349 176.602 176.870 0.134 0.000 1.005 340 L CA -0.206 54.688 54.840 0.091 0.000 0.828 340 L CB 1.677 43.800 42.059 0.106 0.000 1.227 340 L HN 0.488 nan 8.230 nan 0.000 0.415 341 I N 1.050 121.719 120.570 0.165 0.000 2.406 341 I HA 0.897 5.067 4.170 0.000 0.000 0.290 341 I C 0.461 176.700 176.117 0.203 0.000 0.999 341 I CA 0.098 61.523 61.300 0.209 0.000 1.124 341 I CB 1.483 39.565 38.000 0.136 0.000 1.289 341 I HN 0.490 nan 8.210 nan 0.000 0.441 342 G N 4.774 113.704 108.800 0.217 0.000 2.557 342 G HA2 0.421 4.381 3.960 0.000 0.000 0.292 342 G HA3 0.421 4.381 3.960 0.000 0.000 0.292 342 G C -0.449 174.547 174.900 0.159 0.000 1.237 342 G CA -0.589 44.607 45.100 0.160 0.000 0.978 342 G HN 0.898 nan 8.290 nan 0.000 0.498 343 N N -1.684 117.088 118.700 0.119 0.000 2.938 343 N HA 0.252 4.992 4.740 0.000 0.000 0.335 343 N C 0.310 175.877 175.510 0.095 0.000 1.358 343 N CA -0.620 52.495 53.050 0.109 0.000 0.812 343 N CB 0.355 38.895 38.487 0.087 0.000 1.233 343 N HN 0.216 nan 8.380 nan 0.000 0.593 344 D N -0.818 119.632 120.400 0.083 0.000 2.219 344 D HA -0.041 4.599 4.640 0.000 0.000 0.205 344 D C 0.852 177.188 176.300 0.060 0.000 0.970 344 D CA 0.856 54.899 54.000 0.073 0.000 0.851 344 D CB -0.370 40.471 40.800 0.068 0.000 0.943 344 D HN 0.452 nan 8.370 nan 0.000 0.488 345 V N -1.502 118.445 119.914 0.055 0.000 3.441 345 V HA 0.630 4.750 4.120 0.000 0.000 0.300 345 V C 0.348 176.472 176.094 0.049 0.000 1.062 345 V CA -1.160 61.168 62.300 0.047 0.000 1.064 345 V CB 0.734 32.581 31.823 0.040 0.000 1.197 345 V HN 0.044 nan 8.190 nan 0.000 0.451 346 A N 1.718 124.565 122.820 0.044 0.000 2.409 346 A HA 0.544 4.864 4.320 0.000 0.000 0.267 346 A C 0.058 177.676 177.584 0.057 0.000 1.127 346 A CA -0.294 51.772 52.037 0.048 0.000 0.795 346 A CB -1.171 17.854 19.000 0.042 0.000 1.061 346 A HN 1.014 nan 8.150 nan 0.000 0.502 347 N N 0.171 118.913 118.700 0.070 0.000 2.312 347 N HA 0.588 5.328 4.740 0.000 0.000 0.296 347 N C -1.481 174.096 175.510 0.112 0.000 1.193 347 N CA -0.787 52.313 53.050 0.083 0.000 0.773 347 N CB 2.328 40.868 38.487 0.089 0.000 1.435 347 N HN 0.296 nan 8.380 nan 0.000 0.484 348 V N 2.136 122.122 119.914 0.119 0.000 2.334 348 V HA 0.410 4.530 4.120 0.000 0.000 0.281 348 V C -1.045 175.144 176.094 0.158 0.000 1.016 348 V CA -0.541 61.862 62.300 0.172 0.000 0.832 348 V CB 0.738 32.642 31.823 0.135 0.000 0.999 348 V HN 0.421 nan 8.190 nan 0.000 0.439 349 L N 5.930 127.287 121.223 0.224 0.000 2.341 349 L HA 0.600 4.940 4.340 0.000 0.000 0.278 349 L C -0.049 176.968 176.870 0.245 0.000 1.005 349 L CA -0.422 54.534 54.840 0.192 0.000 0.818 349 L CB 1.811 43.984 42.059 0.190 0.000 1.259 349 L HN 0.508 nan 8.230 nan 0.000 0.418 350 K N 1.915 122.404 120.400 0.148 0.000 2.535 350 K HA 0.454 4.774 4.320 0.000 0.000 0.253 350 K C 0.746 177.409 176.600 0.106 0.000 0.953 350 K CA -0.385 55.982 56.287 0.133 0.000 0.863 350 K CB 1.884 34.364 32.500 -0.034 0.000 1.111 350 K HN 0.765 nan 8.250 nan 0.000 0.431 351 G N 1.963 110.840 108.800 0.129 0.000 2.572 351 G HA2 0.159 4.119 3.960 0.000 0.000 0.216 351 G HA3 0.159 4.119 3.960 0.000 0.000 0.216 351 G C 0.761 175.692 174.900 0.051 0.000 1.133 351 G CA 0.576 45.721 45.100 0.075 0.000 0.791 351 G HN 0.930 nan 8.290 nan 0.000 0.538 352 G N -0.202 108.629 108.800 0.052 0.000 2.641 352 G HA2 0.209 4.169 3.960 0.000 0.000 0.254 352 G HA3 0.209 4.169 3.960 0.000 0.000 0.254 352 G C 0.628 175.541 174.900 0.022 0.000 1.315 352 G CA 0.111 45.225 45.100 0.023 0.000 0.907 352 G HN 1.387 nan 8.290 nan 0.000 0.572 353 A N -0.715 122.108 122.820 0.006 0.000 2.364 353 A HA 0.800 5.120 4.320 0.000 0.000 0.258 353 A C 1.907 179.491 177.584 -0.000 0.000 1.131 353 A CA 2.041 54.079 52.037 0.002 0.000 0.800 353 A CB -0.405 18.592 19.000 -0.006 0.000 1.086 353 A HN 3.039 nan 8.150 nan 0.000 0.508 354 G N -0.588 108.208 108.800 -0.006 0.000 2.814 354 G HA2 -0.106 3.854 3.960 0.000 0.000 0.677 354 G HA3 -0.106 3.854 3.960 0.000 0.000 0.677 354 G C -0.651 174.235 174.900 -0.024 0.000 1.429 354 G CA -0.205 44.887 45.100 -0.013 0.000 0.868 354 G HN 1.042 nan 8.290 nan 0.000 0.553 355 N N 2.199 120.879 118.700 -0.033 0.000 2.469 355 N HA 0.326 5.066 4.740 0.000 0.000 0.239 355 N C -0.325 175.147 175.510 -0.064 0.000 1.053 355 N CA -0.136 52.883 53.050 -0.050 0.000 0.937 355 N CB 0.738 39.198 38.487 -0.044 0.000 1.163 355 N HN 0.533 nan 8.380 nan 0.000 0.509 356 D N 1.323 121.671 120.400 -0.086 0.000 2.332 356 D HA 0.415 5.055 4.640 0.000 0.000 0.252 356 D C 0.380 176.591 176.300 -0.148 0.000 1.050 356 D CA -0.268 53.675 54.000 -0.096 0.000 0.970 356 D CB 1.996 42.754 40.800 -0.070 0.000 1.141 356 D HN 0.257 nan 8.370 nan 0.000 0.485 357 I N 1.619 122.121 120.570 -0.113 0.000 2.411 357 I HA 0.155 4.325 4.170 0.000 0.000 0.284 357 I C -0.669 175.410 176.117 -0.063 0.000 1.012 357 I CA -0.649 60.588 61.300 -0.106 0.000 1.119 357 I CB 1.310 39.275 38.000 -0.059 0.000 1.261 357 I HN 0.021 nan 8.210 nan 0.000 0.448 358 L N 6.733 127.901 121.223 -0.092 0.000 2.307 358 L HA 0.402 4.742 4.340 0.000 0.000 0.284 358 L C -1.005 175.930 176.870 0.108 0.000 1.023 358 L CA -0.684 54.174 54.840 0.031 0.000 0.810 358 L CB 1.278 43.377 42.059 0.068 0.000 1.231 358 L HN 0.535 nan 8.230 nan 0.000 0.423 359 Y N 1.187 121.480 120.300 -0.012 0.000 2.349 359 Y HA 0.472 5.022 4.550 0.000 0.000 0.324 359 Y C 0.922 176.808 175.900 -0.024 0.000 1.005 359 Y CA -0.512 57.553 58.100 -0.057 0.000 1.240 359 Y CB 1.932 40.367 38.460 -0.042 0.000 1.117 359 Y HN 0.709 nan 8.280 nan 0.000 0.463 360 G N 2.923 111.566 108.800 -0.262 0.000 2.511 360 G HA2 0.328 4.288 3.960 0.000 0.000 0.217 360 G HA3 0.328 4.288 3.960 0.000 0.000 0.217 360 G C 0.832 175.664 174.900 -0.113 0.000 1.133 360 G CA 0.551 45.581 45.100 -0.115 0.000 0.792 360 G HN 1.351 nan 8.290 nan 0.000 0.539 361 G N -0.265 108.317 108.800 -0.363 0.000 2.598 361 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 361 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 361 G C 0.182 175.062 174.900 -0.034 0.000 1.302 361 G CA -0.273 44.760 45.100 -0.113 0.000 0.903 361 G HN 0.549 nan 8.290 nan 0.000 0.575 362 L N 1.509 122.763 121.223 0.051 0.000 2.473 362 L HA 0.454 4.794 4.340 0.000 0.000 0.265 362 L C 1.662 178.561 176.870 0.048 0.000 1.243 362 L CA 0.943 55.819 54.840 0.059 0.000 0.822 362 L CB -0.502 41.600 42.059 0.072 0.000 1.101 362 L HN 2.534 nan 8.230 nan 0.000 0.507 363 G N 0.354 109.183 108.800 0.048 0.000 2.781 363 G HA2 -0.009 3.951 3.960 0.000 0.000 0.683 363 G HA3 -0.009 3.951 3.960 0.000 0.000 0.683 363 G C -0.459 174.462 174.900 0.035 0.000 1.390 363 G CA -0.414 44.710 45.100 0.041 0.000 0.850 363 G HN 1.039 nan 8.290 nan 0.000 0.557 364 A N 1.346 124.183 122.820 0.028 0.000 2.415 364 A HA 0.585 4.905 4.320 0.000 0.000 0.309 364 A C 0.342 177.944 177.584 0.029 0.000 1.356 364 A CA -0.028 52.021 52.037 0.019 0.000 0.998 364 A CB 0.043 19.049 19.000 0.008 0.000 1.145 364 A HN 0.603 nan 8.150 nan 0.000 0.545 365 D N 1.664 122.085 120.400 0.035 0.000 2.332 365 D HA 0.335 4.976 4.640 0.000 0.000 0.252 365 D C -0.416 175.914 176.300 0.050 0.000 1.050 365 D CA -0.223 53.809 54.000 0.054 0.000 0.970 365 D CB 0.996 41.832 40.800 0.060 0.000 1.141 365 D HN 0.433 nan 8.370 nan 0.000 0.485 366 Q N 1.330 121.186 119.800 0.092 0.000 2.425 366 Q HA 0.339 4.679 4.340 0.000 0.000 0.254 366 Q C -0.823 175.272 176.000 0.159 0.000 1.032 366 Q CA -0.779 55.072 55.803 0.080 0.000 0.798 366 Q CB 1.435 30.288 28.738 0.191 0.000 1.210 366 Q HN 0.178 nan 8.270 nan 0.000 0.491 367 L N 2.514 123.767 121.223 0.050 0.000 2.282 367 L HA 0.463 4.803 4.340 0.000 0.000 0.288 367 L C -0.802 176.164 176.870 0.160 0.000 1.033 367 L CA -0.356 54.612 54.840 0.213 0.000 0.807 367 L CB 0.597 42.824 42.059 0.279 0.000 1.209 367 L HN 0.441 nan 8.230 nan 0.000 0.423 368 W N 2.294 123.731 121.300 0.228 0.000 2.475 368 W HA 0.584 5.244 4.660 0.000 0.000 0.320 368 W C 1.018 177.689 176.519 0.253 0.000 1.022 368 W CA -0.800 56.670 57.345 0.208 0.000 1.240 368 W CB 1.718 31.248 29.460 0.115 0.000 1.328 368 W HN 0.676 nan 8.180 nan 0.000 0.439 369 G N 1.508 110.622 108.800 0.523 0.000 2.603 369 G HA2 0.381 4.341 3.960 0.000 0.000 0.214 369 G HA3 0.381 4.341 3.960 0.000 0.000 0.214 369 G C 0.894 175.911 174.900 0.194 0.000 1.140 369 G CA 0.541 45.819 45.100 0.297 0.000 0.800 369 G HN 0.986 nan 8.290 nan 0.000 0.533 370 G N -0.221 108.723 108.800 0.240 0.000 2.697 370 G HA2 0.255 4.215 3.960 0.000 0.000 0.240 370 G HA3 0.255 4.215 3.960 0.000 0.000 0.240 370 G C 0.516 175.471 174.900 0.092 0.000 1.346 370 G CA -0.072 45.123 45.100 0.158 0.000 0.887 370 G HN 1.435 nan 8.290 nan 0.000 0.569 371 A N -0.439 122.415 122.820 0.056 0.000 2.536 371 A HA 0.718 5.038 4.320 0.000 0.000 0.234 371 A C 1.903 179.494 177.584 0.011 0.000 1.076 371 A CA 2.296 54.350 52.037 0.028 0.000 0.769 371 A CB -0.417 18.593 19.000 0.016 0.000 1.020 371 A HN 3.015 nan 8.150 nan 0.000 0.508 372 G N -1.208 107.589 108.800 -0.004 0.000 2.746 372 G HA2 0.418 4.378 3.960 0.000 0.000 0.685 372 G HA3 0.418 4.378 3.960 0.000 0.000 0.685 372 G C 0.031 174.909 174.900 -0.036 0.000 1.350 372 G CA -0.190 44.898 45.100 -0.019 0.000 0.837 372 G HN 2.339 nan 8.290 nan 0.000 0.564 373 A N 1.215 124.008 122.820 -0.046 0.000 2.376 373 A HA 0.587 4.907 4.320 0.000 0.000 0.298 373 A C 0.171 177.703 177.584 -0.086 0.000 1.271 373 A CA 0.025 52.024 52.037 -0.062 0.000 0.926 373 A CB 0.069 19.041 19.000 -0.046 0.000 1.141 373 A HN 0.596 nan 8.150 nan 0.000 0.539 374 D N 1.695 122.017 120.400 -0.130 0.000 2.228 374 D HA 0.489 5.129 4.640 0.000 0.000 0.247 374 D C -0.459 175.636 176.300 -0.342 0.000 0.995 374 D CA 0.065 53.909 54.000 -0.260 0.000 0.903 374 D CB 1.811 42.395 40.800 -0.360 0.000 1.205 374 D HN 0.361 nan 8.370 nan 0.000 0.459 375 T N 1.056 115.384 114.554 -0.376 0.000 2.807 375 T HA 0.418 4.768 4.350 0.000 0.000 0.279 375 T C -0.411 174.086 174.700 -0.338 0.000 0.993 375 T CA -0.532 61.445 62.100 -0.205 0.000 0.970 375 T CB 0.372 69.218 68.868 -0.037 0.000 0.950 375 T HN 0.098 nan 8.240 nan 0.000 0.441 376 F N 2.397 122.478 119.950 0.218 0.000 2.332 376 F HA 0.462 4.989 4.527 0.000 0.000 0.368 376 F C 0.262 176.206 175.800 0.240 0.000 1.110 376 F CA -1.025 57.104 58.000 0.216 0.000 1.087 376 F CB 0.676 39.867 39.000 0.318 0.000 1.235 376 F HN 0.200 nan 8.300 nan 0.000 0.470 377 V N 3.649 123.685 119.914 0.203 0.000 2.686 377 V HA 0.334 4.454 4.120 0.000 0.000 0.295 377 V C -0.683 175.353 176.094 -0.097 0.000 1.057 377 V CA -0.799 61.651 62.300 0.249 0.000 1.012 377 V CB 1.071 33.104 31.823 0.351 0.000 1.006 377 V HN 0.502 nan 8.190 nan 0.000 0.477 378 Y N 0.807 121.298 120.300 0.318 0.000 2.492 378 Y HA 0.658 5.208 4.550 0.000 0.000 0.346 378 Y C 0.714 176.821 175.900 0.344 0.000 0.997 378 Y CA -0.593 57.643 58.100 0.227 0.000 1.025 378 Y CB 2.532 41.154 38.460 0.269 0.000 1.263 378 Y HN 0.624 nan 8.280 nan 0.000 0.454 379 G N 0.550 109.633 108.800 0.472 0.000 3.651 379 G HA2 0.179 4.139 3.960 0.000 0.000 0.267 379 G HA3 0.179 4.139 3.960 0.000 0.000 0.267 379 G C -0.913 174.144 174.900 0.260 0.000 1.009 379 G CA 0.068 45.445 45.100 0.462 0.000 0.866 379 G HN 0.499 nan 8.290 nan 0.000 0.488 380 D N -0.003 120.525 120.400 0.213 0.000 2.836 380 D HA 0.052 4.692 4.640 0.000 0.000 0.215 380 D C 1.516 177.893 176.300 0.128 0.000 1.255 380 D CA -0.564 53.504 54.000 0.113 0.000 0.822 380 D CB 1.818 42.703 40.800 0.142 0.000 1.656 380 D HN 0.065 nan 8.370 nan 0.000 0.511 381 I N 0.644 121.206 120.570 -0.012 0.000 2.361 381 I HA -0.069 4.101 4.170 0.000 0.000 0.251 381 I C 1.722 178.009 176.117 0.283 0.000 1.133 381 I CA 1.306 62.673 61.300 0.110 0.000 1.413 381 I CB -0.193 37.731 38.000 -0.127 0.000 1.073 381 I HN 0.255 nan 8.210 nan 0.000 0.424 382 A N 1.201 124.116 122.820 0.158 0.000 2.172 382 A HA -0.112 4.208 4.320 0.000 0.000 0.216 382 A C 2.024 179.700 177.584 0.153 0.000 1.154 382 A CA 1.188 53.308 52.037 0.138 0.000 0.701 382 A CB -0.733 18.323 19.000 0.093 0.000 0.789 382 A HN 0.658 nan 8.150 nan 0.000 0.465 383 E N -0.796 119.531 120.200 0.212 0.000 2.482 383 E HA 0.041 4.391 4.350 0.000 0.000 0.196 383 E C 0.103 176.824 176.600 0.202 0.000 1.047 383 E CA 0.554 57.068 56.400 0.189 0.000 0.869 383 E CB 0.094 29.901 29.700 0.178 0.000 0.836 383 E HN 0.316 nan 8.360 nan 0.000 0.520 384 S N 0.779 116.586 115.700 0.178 0.000 2.680 384 S HA 0.059 4.529 4.470 0.000 0.000 0.153 384 S C -0.399 174.131 174.600 -0.117 0.000 1.224 384 S CA -0.447 57.723 58.200 -0.051 0.000 1.197 384 S CB -0.067 62.950 63.200 -0.303 0.000 1.634 384 S HN 0.265 nan 8.310 nan 0.000 0.422 385 S N 1.229 116.939 115.700 0.018 0.000 2.572 385 S HA 0.472 4.942 4.470 0.000 0.000 0.267 385 S C 1.635 176.226 174.600 -0.015 0.000 1.361 385 S CA 0.019 58.247 58.200 0.045 0.000 1.009 385 S CB 0.791 64.023 63.200 0.054 0.000 0.888 385 S HN 0.750 nan 8.310 nan 0.000 0.553 386 A N 1.268 124.104 122.820 0.025 0.000 2.014 386 A HA 0.298 4.618 4.320 0.000 0.000 0.218 386 A C 2.328 179.910 177.584 -0.003 0.000 1.163 386 A CA 1.247 53.289 52.037 0.008 0.000 0.652 386 A CB -1.468 17.566 19.000 0.057 0.000 0.808 386 A HN 1.266 nan 8.150 nan 0.000 0.449 387 A N -0.603 122.223 122.820 0.010 0.000 1.930 387 A HA 0.406 4.726 4.320 0.000 0.000 0.217 387 A C 1.445 179.027 177.584 -0.004 0.000 1.175 387 A CA 1.536 53.576 52.037 0.005 0.000 0.627 387 A CB -0.383 18.626 19.000 0.016 0.000 0.815 387 A HN 1.299 nan 8.150 nan 0.000 0.443 388 A N 0.134 122.951 122.820 -0.006 0.000 3.216 388 A HA 0.576 4.896 4.320 0.000 0.000 0.321 388 A C -2.844 174.724 177.584 -0.027 0.000 1.042 388 A CA -1.291 50.740 52.037 -0.009 0.000 0.838 388 A CB 0.471 19.475 19.000 0.007 0.000 1.136 388 A HN 0.263 nan 8.150 nan 0.000 0.483 389 P HA 0.279 nan 4.420 nan 0.000 0.274 389 P C -0.717 176.537 177.300 -0.075 0.000 1.237 389 P CA 0.040 63.078 63.100 -0.103 0.000 0.793 389 P CB 1.110 32.727 31.700 -0.138 0.000 0.977 390 D N 0.103 120.456 120.400 -0.078 0.000 2.393 390 D HA 0.325 4.965 4.640 0.000 0.000 0.246 390 D C -0.074 176.174 176.300 -0.086 0.000 1.275 390 D CA 0.658 54.639 54.000 -0.032 0.000 0.979 390 D CB 0.156 40.990 40.800 0.058 0.000 1.101 390 D HN 0.242 nan 8.370 nan 0.000 0.505 391 T N 0.884 115.382 114.554 -0.094 0.000 3.031 391 T HA 0.305 4.655 4.350 0.000 0.000 0.305 391 T C -0.699 173.866 174.700 -0.225 0.000 0.985 391 T CA -0.579 61.427 62.100 -0.157 0.000 1.008 391 T CB 0.704 69.488 68.868 -0.140 0.000 1.005 391 T HN 0.006 nan 8.240 nan 0.000 0.444 392 L N 4.269 125.319 121.223 -0.288 0.000 2.356 392 L HA 0.357 4.697 4.340 0.000 0.000 0.282 392 L C 1.722 178.361 176.870 -0.385 0.000 1.132 392 L CA -0.090 54.517 54.840 -0.389 0.000 0.923 392 L CB 0.143 41.903 42.059 -0.499 0.000 1.278 392 L HN 0.418 nan 8.230 nan 0.000 0.436 393 R N 1.976 122.124 120.500 -0.587 0.000 2.395 393 R HA -0.030 4.310 4.340 0.000 0.000 0.203 393 R C -0.189 175.736 176.300 -0.626 0.000 1.076 393 R CA 0.372 55.971 56.100 -0.835 0.000 1.059 393 R CB -0.501 28.717 30.300 -1.803 0.000 0.860 393 R HN 0.750 nan 8.270 nan 0.000 0.476 394 D N -2.300 117.924 120.400 -0.293 0.000 3.868 394 D HA -0.052 4.588 4.640 0.000 0.000 0.283 394 D C -0.597 175.722 176.300 0.033 0.000 1.439 394 D CA -0.576 53.384 54.000 -0.067 0.000 0.760 394 D CB -1.308 39.534 40.800 0.071 0.000 1.335 394 D HN -0.121 nan 8.370 nan 0.000 0.737 395 F N 0.931 120.794 119.950 -0.144 0.000 2.518 395 F HA 0.447 4.974 4.527 0.000 0.000 0.359 395 F C -0.036 175.736 175.800 -0.047 0.000 1.118 395 F CA 0.231 58.169 58.000 -0.103 0.000 1.287 395 F CB 1.139 40.020 39.000 -0.199 0.000 1.132 395 F HN -0.058 nan 8.300 nan 0.000 0.587 396 V N 5.656 125.280 119.914 -0.483 0.000 2.385 396 V HA 0.135 4.255 4.120 0.000 0.000 0.277 396 V C -0.194 175.697 176.094 -0.339 0.000 1.012 396 V CA -0.806 61.340 62.300 -0.256 0.000 0.832 396 V CB 1.149 32.870 31.823 -0.171 0.000 1.028 396 V HN 0.861 nan 8.190 nan 0.000 0.436 397 S N 3.793 119.458 115.700 -0.059 0.000 2.558 397 S HA 0.362 4.832 4.470 0.000 0.000 0.291 397 S C 1.448 176.031 174.600 -0.028 0.000 1.306 397 S CA 1.298 59.528 58.200 0.050 0.000 1.056 397 S CB 0.461 63.715 63.200 0.089 0.000 0.836 397 S HN 2.158 nan 8.310 nan 0.000 0.504 398 G N 2.861 111.658 108.800 -0.005 0.000 2.162 398 G HA2 -0.276 3.684 3.960 0.000 0.000 0.260 398 G HA3 -0.276 3.684 3.960 0.000 0.000 0.260 398 G C 0.367 175.242 174.900 -0.042 0.000 0.976 398 G CA 0.953 46.045 45.100 -0.013 0.000 0.655 398 G HN 0.799 nan 8.290 nan 0.000 0.533 399 Q N -1.221 118.522 119.800 -0.095 0.000 2.497 399 Q HA 0.123 4.463 4.340 0.000 0.000 0.201 399 Q C -0.461 175.458 176.000 -0.135 0.000 0.724 399 Q CA 0.136 55.878 55.803 -0.102 0.000 0.923 399 Q CB 0.701 29.375 28.738 -0.108 0.000 1.302 399 Q HN 0.385 nan 8.270 nan 0.000 0.484 400 D N 1.592 121.816 120.400 -0.292 0.000 2.294 400 D HA 0.353 4.993 4.640 0.000 0.000 0.250 400 D C -0.795 175.462 176.300 -0.071 0.000 1.058 400 D CA 0.119 53.948 54.000 -0.286 0.000 0.950 400 D CB 1.391 41.812 40.800 -0.632 0.000 1.158 400 D HN 0.049 nan 8.370 nan 0.000 0.453 401 K N 0.566 121.103 120.400 0.228 0.000 2.426 401 K HA 0.567 4.888 4.320 0.000 0.000 0.251 401 K C -0.627 176.318 176.600 0.576 0.000 0.941 401 K CA -0.735 55.779 56.287 0.379 0.000 0.808 401 K CB 2.338 34.959 32.500 0.202 0.000 1.265 401 K HN 0.252 nan 8.250 nan 0.000 0.432 402 I N 1.687 122.555 120.570 0.496 0.000 2.330 402 I HA 0.122 4.292 4.170 0.000 0.000 0.289 402 I C -0.486 175.833 176.117 0.336 0.000 1.001 402 I CA -0.464 61.110 61.300 0.456 0.000 1.193 402 I CB 1.110 39.259 38.000 0.249 0.000 1.345 402 I HN 0.470 nan 8.210 nan 0.000 0.461 403 D N 7.521 128.154 120.400 0.388 0.000 2.359 403 D HA 0.305 4.946 4.640 0.000 0.000 0.230 403 D C 0.348 176.819 176.300 0.286 0.000 1.118 403 D CA -0.153 54.014 54.000 0.278 0.000 0.844 403 D CB 1.527 42.485 40.800 0.263 0.000 1.059 403 D HN 0.478 nan 8.370 nan 0.000 0.493 404 L N 2.544 123.822 121.223 0.092 0.000 2.858 404 L HA 0.013 4.353 4.340 0.000 0.000 0.251 404 L C 2.266 179.052 176.870 -0.139 0.000 1.149 404 L CA -0.089 54.750 54.840 -0.002 0.000 0.955 404 L CB 0.180 42.149 42.059 -0.151 0.000 1.289 404 L HN 0.286 nan 8.230 nan 0.000 0.542 405 S N 0.171 115.789 115.700 -0.137 0.000 2.462 405 S HA -0.137 4.334 4.470 0.000 0.000 0.243 405 S C 1.706 176.189 174.600 -0.196 0.000 1.003 405 S CA 1.267 59.369 58.200 -0.164 0.000 0.970 405 S CB -0.518 62.630 63.200 -0.086 0.000 0.762 405 S HN 0.454 nan 8.310 nan 0.000 0.510 406 G N 0.379 108.971 108.800 -0.347 0.000 3.189 406 G HA2 0.413 4.373 3.960 0.000 0.000 0.225 406 G HA3 0.413 4.373 3.960 0.000 0.000 0.225 406 G C 0.220 174.918 174.900 -0.336 0.000 1.159 406 G CA -0.548 44.093 45.100 -0.765 0.000 0.763 406 G HN 0.453 nan 8.290 nan 0.000 0.549 407 L N 0.452 121.640 121.223 -0.058 0.000 2.426 407 L HA 0.166 4.507 4.340 0.000 0.000 0.271 407 L C 1.371 178.226 176.870 -0.025 0.000 1.169 407 L CA -0.693 54.145 54.840 -0.003 0.000 0.836 407 L CB 0.986 43.086 42.059 0.068 0.000 1.112 407 L HN -0.004 nan 8.230 nan 0.000 0.465 408 D N 2.021 122.364 120.400 -0.094 0.000 2.104 408 D HA -0.189 4.451 4.640 0.000 0.000 0.194 408 D C 1.982 178.202 176.300 -0.133 0.000 0.994 408 D CA 1.792 55.736 54.000 -0.093 0.000 0.830 408 D CB 0.213 40.954 40.800 -0.098 0.000 0.959 408 D HN 0.701 nan 8.370 nan 0.000 0.452 409 A N -0.695 121.962 122.820 -0.272 0.000 1.958 409 A HA -0.205 4.116 4.320 0.000 0.000 0.221 409 A C 2.007 179.373 177.584 -0.363 0.000 1.178 409 A CA 1.444 53.254 52.037 -0.379 0.000 0.642 409 A CB -0.847 17.785 19.000 -0.612 0.000 0.816 409 A HN 0.284 nan 8.150 nan 0.000 0.453 410 F N -2.049 117.867 119.950 -0.056 0.000 2.243 410 F HA 0.083 4.610 4.527 0.000 0.000 0.287 410 F C 2.290 178.065 175.800 -0.042 0.000 1.067 410 F CA 0.906 58.887 58.000 -0.032 0.000 1.304 410 F CB -0.672 38.308 39.000 -0.032 0.000 1.087 410 F HN 0.024 nan 8.300 nan 0.000 0.513 411 V N 0.173 120.164 119.914 0.128 0.000 2.970 411 V HA -0.136 3.984 4.120 0.000 0.000 0.260 411 V C 1.404 177.510 176.094 0.020 0.000 1.100 411 V CA 1.735 64.064 62.300 0.048 0.000 1.122 411 V CB -0.376 31.444 31.823 -0.004 0.000 0.721 411 V HN 0.334 nan 8.190 nan 0.000 0.483 412 N N -0.737 117.963 118.700 0.001 0.000 2.529 412 N HA 0.122 4.863 4.740 0.000 0.000 0.231 412 N C 1.672 177.169 175.510 -0.021 0.000 1.072 412 N CA 1.014 54.058 53.050 -0.011 0.000 0.854 412 N CB 0.024 38.499 38.487 -0.020 0.000 1.465 412 N HN 0.391 nan 8.380 nan 0.000 0.452 413 G N 0.034 108.806 108.800 -0.046 0.000 2.572 413 G HA2 0.145 4.105 3.960 0.000 0.000 0.216 413 G HA3 0.145 4.105 3.960 0.000 0.000 0.216 413 G C 0.939 175.816 174.900 -0.039 0.000 1.133 413 G CA 0.746 45.812 45.100 -0.057 0.000 0.791 413 G HN 0.474 nan 8.290 nan 0.000 0.538 414 G N -0.489 108.304 108.800 -0.012 0.000 2.198 414 G HA2 -0.278 3.682 3.960 0.000 0.000 0.260 414 G HA3 -0.278 3.682 3.960 0.000 0.000 0.260 414 G C 0.305 175.213 174.900 0.013 0.000 1.025 414 G CA 0.338 45.450 45.100 0.020 0.000 0.769 414 G HN 0.682 nan 8.290 nan 0.000 0.507 415 L N 0.210 121.410 121.223 -0.037 0.000 2.453 415 L HA 0.528 4.868 4.340 0.000 0.000 0.272 415 L C 0.491 177.398 176.870 0.061 0.000 1.182 415 L CA -0.421 54.373 54.840 -0.076 0.000 0.858 415 L CB 0.916 42.817 42.059 -0.262 0.000 1.120 415 L HN 0.012 nan 8.230 nan 0.000 0.474 416 V N 6.058 125.995 119.914 0.039 0.000 2.513 416 V HA 0.330 4.450 4.120 0.000 0.000 0.299 416 V C 0.102 176.214 176.094 0.030 0.000 1.035 416 V CA -0.696 61.653 62.300 0.081 0.000 0.889 416 V CB 1.820 33.669 31.823 0.042 0.000 0.988 416 V HN 0.556 nan 8.190 nan 0.000 0.440 417 L N 4.726 125.972 121.223 0.039 0.000 2.290 417 L HA 0.437 4.777 4.340 0.000 0.000 0.284 417 L C -0.154 176.607 176.870 -0.182 0.000 1.078 417 L CA -0.250 54.511 54.840 -0.131 0.000 0.815 417 L CB 0.873 42.789 42.059 -0.238 0.000 1.162 417 L HN 0.553 nan 8.230 nan 0.000 0.435 418 Q N 3.722 123.403 119.800 -0.198 0.000 2.357 418 Q HA 0.288 4.628 4.340 0.000 0.000 0.266 418 Q C -1.250 174.689 176.000 -0.103 0.000 1.021 418 Q CA -0.574 55.176 55.803 -0.087 0.000 0.784 418 Q CB 1.715 30.433 28.738 -0.033 0.000 1.243 418 Q HN 0.348 nan 8.270 nan 0.000 0.465 419 Y N 1.384 121.702 120.300 0.030 0.000 2.584 419 Y HA 0.189 4.739 4.550 0.000 0.000 0.351 419 Y C 0.648 176.567 175.900 0.032 0.000 1.030 419 Y CA -0.029 58.091 58.100 0.033 0.000 1.332 419 Y CB 0.562 39.036 38.460 0.023 0.000 1.148 419 Y HN 0.319 nan 8.280 nan 0.000 0.528 420 V N 2.812 122.828 119.914 0.171 0.000 3.345 420 V HA 0.310 4.430 4.120 0.000 0.000 0.308 420 V C 0.285 176.422 176.094 0.071 0.000 1.168 420 V CA -0.440 61.927 62.300 0.111 0.000 1.024 420 V CB 2.213 34.102 31.823 0.110 0.000 1.211 420 V HN 0.769 nan 8.190 nan 0.000 0.461 421 D N 0.879 121.293 120.400 0.023 0.000 2.433 421 D HA 0.433 5.073 4.640 0.000 0.000 0.211 421 D C -0.097 176.152 176.300 -0.085 0.000 1.114 421 D CA 0.794 54.779 54.000 -0.026 0.000 0.837 421 D CB 1.489 42.281 40.800 -0.015 0.000 0.984 421 D HN 0.636 nan 8.370 nan 0.000 0.505 422 A N 0.446 123.226 122.820 -0.068 0.000 2.566 422 A HA 0.448 4.768 4.320 0.000 0.000 0.297 422 A C -1.342 176.264 177.584 0.037 0.000 1.059 422 A CA -0.624 51.352 52.037 -0.102 0.000 0.691 422 A CB 0.813 19.790 19.000 -0.039 0.000 1.282 422 A HN -0.126 nan 8.150 nan 0.000 0.401 423 F N 1.533 121.490 119.950 0.011 0.000 2.504 423 F HA 0.451 4.978 4.527 0.000 0.000 0.369 423 F C 1.336 177.132 175.800 -0.007 0.000 1.082 423 F CA 0.298 58.298 58.000 -0.000 0.000 1.216 423 F CB 1.096 40.107 39.000 0.019 0.000 1.108 423 F HN 0.746 nan 8.300 nan 0.000 0.554 424 A N 2.558 125.485 122.820 0.177 0.000 2.035 424 A HA 0.489 4.809 4.320 0.000 0.000 0.208 424 A C 1.428 179.027 177.584 0.026 0.000 1.206 424 A CA 0.725 52.808 52.037 0.077 0.000 0.773 424 A CB -0.319 18.712 19.000 0.050 0.000 0.878 424 A HN 1.253 nan 8.150 nan 0.000 0.469 425 G N -1.058 107.736 108.800 -0.010 0.000 2.223 425 G HA2 0.079 4.039 3.960 0.000 0.000 0.200 425 G HA3 0.079 4.039 3.960 0.000 0.000 0.200 425 G C -0.371 174.483 174.900 -0.077 0.000 1.061 425 G CA 0.105 45.167 45.100 -0.063 0.000 0.790 425 G HN 0.510 nan 8.290 nan 0.000 0.498 426 K N 0.824 121.172 120.400 -0.087 0.000 2.318 426 K HA 0.874 5.194 4.320 0.000 0.000 0.249 426 K C 0.236 176.749 176.600 -0.145 0.000 0.942 426 K CA -0.032 56.200 56.287 -0.091 0.000 0.808 426 K CB 1.641 34.105 32.500 -0.060 0.000 1.189 426 K HN 0.791 nan 8.250 nan 0.000 0.428 427 A N 1.422 124.159 122.820 -0.138 0.000 2.363 427 A HA 0.543 4.863 4.320 0.000 0.000 0.270 427 A C 0.906 178.371 177.584 -0.199 0.000 1.121 427 A CA 0.515 52.446 52.037 -0.177 0.000 0.800 427 A CB -0.402 18.524 19.000 -0.124 0.000 1.052 427 A HN 1.309 nan 8.150 nan 0.000 0.493 428 G N 1.087 109.703 108.800 -0.307 0.000 2.179 428 G HA2 -0.171 3.789 3.960 0.000 0.000 0.220 428 G HA3 -0.171 3.789 3.960 0.000 0.000 0.220 428 G C 0.048 174.777 174.900 -0.285 0.000 0.990 428 G CA 0.144 45.059 45.100 -0.309 0.000 0.646 428 G HN 0.871 nan 8.290 nan 0.000 0.517 429 Q N 0.351 119.994 119.800 -0.262 0.000 2.288 429 Q HA 0.621 4.961 4.340 0.000 0.000 0.258 429 Q C 0.108 176.080 176.000 -0.047 0.000 0.957 429 Q CA 0.490 56.224 55.803 -0.115 0.000 0.919 429 Q CB 1.665 30.416 28.738 0.021 0.000 1.185 429 Q HN 0.774 nan 8.270 nan 0.000 0.408 430 A N 3.952 126.748 122.820 -0.040 0.000 2.356 430 A HA 0.616 4.936 4.320 0.000 0.000 0.310 430 A C -0.711 176.987 177.584 0.191 0.000 1.075 430 A CA -0.699 51.359 52.037 0.034 0.000 0.746 430 A CB 0.827 19.675 19.000 -0.252 0.000 1.221 430 A HN 0.756 nan 8.150 nan 0.000 0.443 431 I N 3.105 123.785 120.570 0.183 0.000 2.328 431 I HA 0.244 4.414 4.170 0.000 0.000 0.287 431 I C -0.599 175.572 176.117 0.090 0.000 1.012 431 I CA -0.207 61.142 61.300 0.082 0.000 1.195 431 I CB 1.292 39.212 38.000 -0.134 0.000 1.350 431 I HN 0.495 nan 8.210 nan 0.000 0.464 432 L N 6.343 127.636 121.223 0.117 0.000 2.288 432 L HA 0.316 4.656 4.340 0.000 0.000 0.283 432 L C 0.246 177.128 176.870 0.020 0.000 1.072 432 L CA 0.082 54.953 54.840 0.053 0.000 0.862 432 L CB 0.658 42.723 42.059 0.011 0.000 1.245 432 L HN 0.647 nan 8.230 nan 0.000 0.432 433 S N 2.380 118.087 115.700 0.012 0.000 2.707 433 S HA 0.578 5.048 4.470 0.000 0.000 0.276 433 S C -1.184 173.491 174.600 0.125 0.000 1.179 433 S CA -0.298 57.921 58.200 0.031 0.000 0.992 433 S CB 1.553 64.748 63.200 -0.008 0.000 1.030 433 S HN 0.426 nan 8.310 nan 0.000 0.554 434 Y N 1.519 121.784 120.300 -0.058 0.000 2.146 434 Y HA 0.192 4.742 4.550 0.000 0.000 0.312 434 Y C -1.970 173.904 175.900 -0.044 0.000 1.256 434 Y CA -1.426 56.642 58.100 -0.053 0.000 1.468 434 Y CB 0.367 38.799 38.460 -0.047 0.000 1.309 434 Y HN 0.652 nan 8.280 nan 0.000 0.377 435 D N 4.733 124.964 120.400 -0.281 0.000 2.365 435 D HA 0.525 5.165 4.640 0.000 0.000 0.237 435 D C 0.984 176.888 176.300 -0.661 0.000 1.190 435 D CA 0.723 54.501 54.000 -0.369 0.000 0.867 435 D CB 1.571 42.271 40.800 -0.166 0.000 1.050 435 D HN 0.671 nan 8.370 nan 0.000 0.491 436 A N 4.123 126.512 122.820 -0.720 0.000 2.019 436 A HA -0.019 4.301 4.320 0.000 0.000 0.219 436 A C 2.080 179.503 177.584 -0.268 0.000 1.164 436 A CA 1.737 53.419 52.037 -0.592 0.000 0.644 436 A CB -0.514 18.274 19.000 -0.352 0.000 0.805 436 A HN 0.647 nan 8.150 nan 0.000 0.449 437 A N -0.097 122.602 122.820 -0.203 0.000 1.834 437 A HA -0.101 4.219 4.320 0.000 0.000 0.216 437 A C 2.404 179.940 177.584 -0.079 0.000 1.203 437 A CA 2.172 54.143 52.037 -0.111 0.000 0.621 437 A CB -1.086 17.859 19.000 -0.092 0.000 0.841 437 A HN 0.529 nan 8.150 nan 0.000 0.446 438 S N -0.768 114.885 115.700 -0.078 0.000 2.453 438 S HA 0.003 4.473 4.470 0.000 0.000 0.231 438 S C 1.054 175.657 174.600 0.005 0.000 1.005 438 S CA 1.001 59.181 58.200 -0.033 0.000 0.949 438 S CB 0.007 63.190 63.200 -0.029 0.000 0.774 438 S HN 0.598 nan 8.310 nan 0.000 0.510 439 K N 0.362 120.760 120.400 -0.004 0.000 3.251 439 K HA -0.177 4.143 4.320 0.000 0.000 0.282 439 K C -0.523 176.273 176.600 0.328 0.000 1.201 439 K CA 0.625 57.025 56.287 0.188 0.000 0.827 439 K CB -1.810 30.776 32.500 0.144 0.000 1.286 439 K HN 0.445 nan 8.250 nan 0.000 0.503 440 A N 0.801 123.754 122.820 0.222 0.000 2.253 440 A HA 0.665 4.985 4.320 0.000 0.000 0.316 440 A C 0.657 178.418 177.584 0.294 0.000 1.327 440 A CA 0.187 52.326 52.037 0.169 0.000 0.917 440 A CB 1.136 20.163 19.000 0.045 0.000 1.162 440 A HN 0.465 nan 8.150 nan 0.000 0.535 441 G N 0.414 109.316 108.800 0.170 0.000 2.557 441 G HA2 0.569 4.529 3.960 0.000 0.000 0.292 441 G HA3 0.569 4.529 3.960 0.000 0.000 0.292 441 G C -0.136 174.744 174.900 -0.032 0.000 1.237 441 G CA 0.115 45.253 45.100 0.063 0.000 0.978 441 G HN 1.374 nan 8.290 nan 0.000 0.498 442 S N -1.660 114.000 115.700 -0.067 0.000 2.558 442 S HA 0.476 4.946 4.470 0.000 0.000 0.277 442 S C -2.151 172.401 174.600 -0.080 0.000 1.143 442 S CA -0.573 57.575 58.200 -0.087 0.000 0.865 442 S CB 1.443 64.612 63.200 -0.052 0.000 1.102 442 S HN 1.120 nan 8.310 nan 0.000 0.454 443 L N 3.680 124.849 121.223 -0.089 0.000 2.439 443 L HA 0.952 5.292 4.340 0.000 0.000 0.270 443 L C -0.716 176.158 176.870 0.007 0.000 0.972 443 L CA 0.039 54.863 54.840 -0.027 0.000 0.836 443 L CB 1.324 43.358 42.059 -0.042 0.000 1.255 443 L HN 0.936 nan 8.230 nan 0.000 0.404 444 A N 6.014 128.886 122.820 0.087 0.000 2.386 444 A HA 0.924 5.244 4.320 0.000 0.000 0.311 444 A C -1.155 176.606 177.584 0.295 0.000 1.068 444 A CA -0.469 51.677 52.037 0.181 0.000 0.743 444 A CB 1.104 20.208 19.000 0.173 0.000 1.258 444 A HN 0.652 nan 8.150 nan 0.000 0.429 445 I N 1.195 121.919 120.570 0.257 0.000 2.619 445 I HA 0.295 4.465 4.170 0.000 0.000 0.292 445 I C -1.361 174.587 176.117 -0.282 0.000 1.100 445 I CA -0.614 60.654 61.300 -0.052 0.000 1.043 445 I CB 2.500 40.327 38.000 -0.289 0.000 1.239 445 I HN 0.649 nan 8.210 nan 0.000 0.420 446 D N 4.759 124.763 120.400 -0.659 0.000 2.473 446 D HA 0.316 4.956 4.640 0.000 0.000 0.226 446 D C 0.230 176.209 176.300 -0.536 0.000 1.089 446 D CA -0.203 53.377 54.000 -0.699 0.000 0.883 446 D CB 0.584 40.667 40.800 -1.196 0.000 1.029 446 D HN 0.264 nan 8.370 nan 0.000 0.517 447 F N 1.232 121.056 119.950 -0.210 0.000 2.293 447 F HA -0.056 4.471 4.527 -0.000 0.000 0.297 447 F C 2.601 178.291 175.800 -0.183 0.000 1.089 447 F CA 0.779 58.656 58.000 -0.205 0.000 1.377 447 F CB -0.102 38.784 39.000 -0.191 0.000 1.051 447 F HN 0.393 nan 8.300 nan 0.000 0.511 448 S N -0.588 115.111 115.700 -0.002 0.000 2.603 448 S HA 0.241 4.711 4.470 0.000 0.000 0.220 448 S C 1.880 176.419 174.600 -0.101 0.000 0.967 448 S CA 0.403 58.578 58.200 -0.041 0.000 0.920 448 S CB -0.541 62.645 63.200 -0.023 0.000 0.773 448 S HN 0.553 nan 8.310 nan 0.000 0.529 449 G N 2.658 111.358 108.800 -0.166 0.000 2.186 449 G HA2 -0.340 3.620 3.960 0.000 0.000 0.266 449 G HA3 -0.340 3.620 3.960 0.000 0.000 0.266 449 G C 0.148 174.941 174.900 -0.178 0.000 0.982 449 G CA 0.509 45.503 45.100 -0.178 0.000 0.670 449 G HN 0.858 nan 8.290 nan 0.000 0.533 450 D N -0.968 119.313 120.400 -0.199 0.000 2.538 450 D HA 0.511 5.151 4.640 0.000 0.000 0.234 450 D C 1.480 177.559 176.300 -0.368 0.000 1.191 450 D CA 0.494 54.347 54.000 -0.245 0.000 0.828 450 D CB -0.359 40.307 40.800 -0.223 0.000 0.981 450 D HN 1.545 nan 8.370 nan 0.000 0.490 451 A N -0.235 122.433 122.820 -0.254 0.000 2.829 451 A HA -0.275 4.045 4.320 0.000 0.000 0.267 451 A C -0.226 177.470 177.584 0.187 0.000 1.370 451 A CA 1.227 53.222 52.037 -0.070 0.000 0.900 451 A CB -2.814 16.186 19.000 -0.000 0.000 1.044 451 A HN 0.772 nan 8.150 nan 0.000 0.691 452 H N -1.309 117.729 119.070 -0.053 0.000 2.667 452 H HA 0.579 5.136 4.556 0.000 0.000 0.353 452 H C 0.399 175.695 175.328 -0.054 0.000 1.072 452 H CA -0.672 55.441 56.048 0.109 0.000 1.214 452 H CB 1.713 31.517 29.762 0.070 0.000 1.600 452 H HN 0.755 nan 8.280 nan 0.000 0.527 453 A N 2.378 125.427 122.820 0.382 0.000 2.511 453 A HA 0.014 4.334 4.320 0.000 0.000 0.242 453 A C -0.012 177.672 177.584 0.166 0.000 1.069 453 A CA 0.081 52.272 52.037 0.257 0.000 0.763 453 A CB 0.010 19.275 19.000 0.441 0.000 1.001 453 A HN 0.914 nan 8.150 nan 0.000 0.498 454 D N 0.119 120.619 120.400 0.166 0.000 2.431 454 D HA 0.204 4.844 4.640 0.000 0.000 0.227 454 D C -0.299 176.183 176.300 0.304 0.000 1.030 454 D CA 0.557 54.686 54.000 0.215 0.000 0.897 454 D CB 0.371 41.319 40.800 0.246 0.000 1.058 454 D HN 0.497 nan 8.370 nan 0.000 0.500 455 F N 0.926 120.984 119.950 0.180 0.000 2.507 455 F HA 0.682 5.209 4.527 0.000 0.000 0.325 455 F C -1.382 174.476 175.800 0.097 0.000 1.116 455 F CA -0.971 57.128 58.000 0.166 0.000 0.930 455 F CB 1.371 40.580 39.000 0.348 0.000 1.146 455 F HN -0.134 nan 8.300 nan 0.000 0.447 456 A N 6.544 129.116 122.820 -0.414 0.000 2.539 456 A HA 0.853 5.173 4.320 0.000 0.000 0.296 456 A C -1.694 175.565 177.584 -0.540 0.000 1.073 456 A CA -0.649 51.189 52.037 -0.332 0.000 0.700 456 A CB 1.402 20.320 19.000 -0.136 0.000 1.296 456 A HN 0.720 nan 8.150 nan 0.000 0.405 457 I N 2.467 122.808 120.570 -0.380 0.000 2.529 457 I HA 0.203 4.373 4.170 0.000 0.000 0.284 457 I C -0.867 175.107 176.117 -0.239 0.000 1.088 457 I CA -0.779 60.309 61.300 -0.353 0.000 1.062 457 I CB 1.932 39.691 38.000 -0.402 0.000 1.218 457 I HN 0.594 nan 8.210 nan 0.000 0.442 458 N N 6.290 124.872 118.700 -0.195 0.000 2.444 458 N HA 0.667 5.407 4.740 0.000 0.000 0.255 458 N C -0.766 174.626 175.510 -0.198 0.000 1.255 458 N CA 0.044 52.997 53.050 -0.161 0.000 0.933 458 N CB 1.225 39.637 38.487 -0.125 0.000 1.143 458 N HN 0.397 nan 8.380 nan 0.000 0.453 459 L N 0.466 121.585 121.223 -0.173 0.000 2.469 459 L HA 0.556 4.896 4.340 0.000 0.000 0.256 459 L C -0.614 176.180 176.870 -0.127 0.000 1.006 459 L CA -0.478 54.241 54.840 -0.202 0.000 0.832 459 L CB 2.206 44.099 42.059 -0.277 0.000 1.421 459 L HN 0.365 nan 8.230 nan 0.000 0.410 460 I N 1.655 122.150 120.570 -0.125 0.000 2.714 460 I HA 0.684 4.854 4.170 0.000 0.000 0.276 460 I C 0.002 176.095 176.117 -0.041 0.000 1.196 460 I CA -0.175 61.084 61.300 -0.069 0.000 1.068 460 I CB 1.299 39.231 38.000 -0.114 0.000 1.291 460 I HN 0.730 nan 8.210 nan 0.000 0.530 461 G N 3.764 112.538 108.800 -0.043 0.000 2.361 461 G HA2 0.040 4.000 3.960 0.000 0.000 0.305 461 G HA3 0.040 4.000 3.960 0.000 0.000 0.305 461 G C -2.017 172.718 174.900 -0.275 0.000 1.367 461 G CA -0.785 44.284 45.100 -0.052 0.000 0.951 461 G HN 0.383 nan 8.290 nan 0.000 0.615 462 Q N -0.123 119.502 119.800 -0.293 0.000 2.243 462 Q HA 0.659 4.999 4.340 0.000 0.000 0.252 462 Q C -0.316 175.601 176.000 -0.138 0.000 0.909 462 Q CA -0.377 55.113 55.803 -0.522 0.000 0.922 462 Q CB 1.441 29.927 28.738 -0.419 0.000 1.215 462 Q HN 1.402 nan 8.270 nan 0.000 0.427 463 A N 3.749 126.420 122.820 -0.248 0.000 2.310 463 A HA 0.510 4.830 4.320 0.000 0.000 0.304 463 A C -0.410 177.111 177.584 -0.105 0.000 1.231 463 A CA -0.571 51.371 52.037 -0.157 0.000 0.799 463 A CB 1.277 20.000 19.000 -0.461 0.000 1.162 463 A HN 0.772 nan 8.150 nan 0.000 0.486 464 T N 1.130 115.673 114.554 -0.018 0.000 2.810 464 T HA 0.196 4.546 4.350 0.000 0.000 0.277 464 T C 1.307 175.955 174.700 -0.088 0.000 0.973 464 T CA -0.334 61.732 62.100 -0.057 0.000 0.949 464 T CB 0.732 69.588 68.868 -0.019 0.000 1.075 464 T HN 0.671 nan 8.240 nan 0.000 0.537 465 Q N -0.100 119.590 119.800 -0.184 0.000 2.378 465 Q HA 0.110 4.450 4.340 0.000 0.000 0.205 465 Q C 2.110 178.079 176.000 -0.051 0.000 0.954 465 Q CA 0.497 56.147 55.803 -0.255 0.000 0.901 465 Q CB -0.079 28.307 28.738 -0.586 0.000 0.981 465 Q HN 0.728 nan 8.270 nan 0.000 0.483 466 A N 0.761 123.567 122.820 -0.023 0.000 2.235 466 A HA -0.086 4.234 4.320 0.000 0.000 0.208 466 A C 0.966 178.592 177.584 0.069 0.000 1.172 466 A CA 0.728 52.779 52.037 0.024 0.000 0.786 466 A CB 0.142 19.150 19.000 0.014 0.000 0.804 466 A HN 0.145 nan 8.150 nan 0.000 0.479 467 D N -0.403 120.060 120.400 0.104 0.000 2.355 467 D HA 0.151 4.791 4.640 0.000 0.000 0.206 467 D C 0.378 176.803 176.300 0.209 0.000 1.010 467 D CA 0.332 54.452 54.000 0.200 0.000 0.875 467 D CB 0.200 41.213 40.800 0.355 0.000 0.966 467 D HN 0.425 nan 8.370 nan 0.000 0.512 468 I N 1.777 122.436 120.570 0.148 0.000 2.352 468 I HA 0.086 4.256 4.170 0.000 0.000 0.290 468 I C -0.121 176.049 176.117 0.088 0.000 1.036 468 I CA -0.397 60.984 61.300 0.136 0.000 1.336 468 I CB 1.560 39.653 38.000 0.155 0.000 1.407 468 I HN -0.381 nan 8.210 nan 0.000 0.497 469 V N 7.617 127.571 119.914 0.067 0.000 2.435 469 V HA 0.511 4.631 4.120 0.000 0.000 0.290 469 V C 0.213 176.241 176.094 -0.109 0.000 1.030 469 V CA -0.450 61.856 62.300 0.010 0.000 0.881 469 V CB 1.756 33.610 31.823 0.052 0.000 0.983 469 V HN 0.598 nan 8.190 nan 0.000 0.445 470 V N 0.000 119.802 119.914 -0.186 0.000 2.409 470 V HA 0.000 4.120 4.120 0.000 0.000 0.244 470 V CA 0.000 62.051 62.300 -0.414 0.000 1.235 470 V CB 0.000 31.423 31.823 -0.666 0.000 1.184 470 V HN 0.000 nan 8.190 nan 0.000 0.556