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 1y9z_1_B DATA FIRST_RESID 1 DATA SEQUENCE AETTPWGQTF VGATVLSDSQ AGNRTIcIID SGYDRSHNDL NANNVTGTNN DATA SEQUENCE SGTGNWYQPG NNNAHGTHVA GTIAAIANNE GVVGVMPNQN ANIHIVKVFN DATA SEQUENCE EAGWGYSSSL VAAIDTcVNS GGANVVTMSL GGSGSTTTER NALNTHYNNG DATA SEQUENCE VLLIAAAGNA GDSSYSYPAS YDSVMSVAAV DSNLDHAAFS QYTDQVEISG DATA SEQUENCE PGEAILSTVT VGEGRLADIT IGGQSYFSNG VVPHNRLTPS GTSYAPAPIN DATA SEQUENCE ASATGALAEc TVNGTSFScG NMANKIcLVE RVGNQGSSYP EINSTKAcKT DATA SEQUENCE AGAKGIIVYS NSALPGLQNP FLVDANSDIT VPSVSVDRAT GLALKAKLGQ DATA SEQUENCE STTVSNQGNQ DYEYYNGTSM ATPHVSGVAT LVWSYHPEcS ASQVRAALNA DATA SEQUENCE TADDLSVAGR DNQTGYGMIN AVAAKAYLDE ScTGPT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.543 177.584 -0.069 0.000 1.274 1 A CA 0.000 52.003 52.037 -0.056 0.000 0.836 1 A CB 0.000 18.956 19.000 -0.074 0.000 0.831 2 E N 0.812 120.987 120.200 -0.040 0.000 2.248 2 E HA 0.690 5.040 4.350 -0.000 0.000 0.267 2 E C -0.926 175.672 176.600 -0.002 0.000 0.877 2 E CA -0.356 56.020 56.400 -0.040 0.000 0.759 2 E CB 1.825 31.511 29.700 -0.023 0.000 1.182 2 E HN 0.594 nan 8.360 nan 0.000 0.418 3 T N 2.492 117.049 114.554 0.005 0.000 2.824 3 T HA 0.334 4.684 4.350 -0.000 0.000 0.280 3 T C -0.642 174.075 174.700 0.027 0.000 0.995 3 T CA -0.495 61.647 62.100 0.069 0.000 1.009 3 T CB 1.527 70.515 68.868 0.199 0.000 0.955 3 T HN 0.325 nan 8.240 nan 0.000 0.452 4 T N 6.040 120.622 114.554 0.046 0.000 2.853 4 T HA 0.367 4.717 4.350 -0.000 0.000 0.317 4 T C -2.139 172.589 174.700 0.046 0.000 1.059 4 T CA -1.168 60.954 62.100 0.035 0.000 0.954 4 T CB 0.599 69.501 68.868 0.057 0.000 0.994 4 T HN 0.406 nan 8.240 nan 0.000 0.479 5 P HA -0.032 nan 4.420 nan 0.000 0.267 5 P C 1.452 178.754 177.300 0.003 0.000 1.200 5 P CA -0.493 62.590 63.100 -0.029 0.000 0.772 5 P CB 0.751 32.360 31.700 -0.153 0.000 0.855 6 W N 2.825 124.118 121.300 -0.012 0.000 2.308 6 W HA -0.160 4.500 4.660 -0.000 0.000 0.301 6 W C 1.392 177.853 176.519 -0.096 0.000 1.220 6 W CA 1.388 58.692 57.345 -0.067 0.000 1.240 6 W CB -2.378 26.922 29.460 -0.266 0.000 1.142 6 W HN 0.422 nan 8.180 nan 0.000 0.521 7 G N 1.470 109.674 108.800 -0.992 0.000 2.442 7 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 7 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 7 G C 1.650 176.462 174.900 -0.146 0.000 1.141 7 G CA 1.173 45.714 45.100 -0.932 0.000 0.763 7 G HN 0.244 nan 8.290 nan 0.000 0.554 8 Q N 0.251 120.046 119.800 -0.009 0.000 2.084 8 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 8 Q C 2.768 178.854 176.000 0.143 0.000 0.978 8 Q CA 1.694 57.547 55.803 0.084 0.000 0.844 8 Q CB -1.048 27.713 28.738 0.039 0.000 0.898 8 Q HN 0.434 nan 8.270 nan 0.000 0.426 9 T N 0.904 115.583 114.554 0.208 0.000 2.737 9 T HA -0.044 4.306 4.350 -0.000 0.000 0.265 9 T C 1.708 176.605 174.700 0.327 0.000 1.038 9 T CA 0.866 63.124 62.100 0.263 0.000 1.144 9 T CB -0.397 68.670 68.868 0.331 0.000 0.866 9 T HN 0.207 nan 8.240 nan 0.000 0.434 10 F N 1.305 121.335 119.950 0.132 0.000 2.171 10 F HA -0.105 4.422 4.527 -0.000 0.000 0.300 10 F C 2.378 178.230 175.800 0.087 0.000 1.090 10 F CA 0.610 58.697 58.000 0.145 0.000 1.293 10 F CB -0.216 38.946 39.000 0.270 0.000 1.013 10 F HN 0.067 nan 8.300 nan 0.000 0.486 11 V N -2.551 117.508 119.914 0.242 0.000 3.623 11 V HA 0.436 4.556 4.120 -0.000 0.000 0.271 11 V C 1.456 177.618 176.094 0.114 0.000 1.248 11 V CA 0.744 63.136 62.300 0.154 0.000 1.156 11 V CB -0.349 31.557 31.823 0.138 0.000 0.870 11 V HN 0.466 nan 8.190 nan 0.000 0.453 12 G N -0.263 108.603 108.800 0.110 0.000 2.157 12 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.239 12 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.239 12 G C 0.987 175.933 174.900 0.077 0.000 0.982 12 G CA 0.351 45.497 45.100 0.077 0.000 0.650 12 G HN 1.418 nan 8.290 nan 0.000 0.527 13 A N 0.181 123.056 122.820 0.091 0.000 2.067 13 A HA 0.253 4.573 4.320 -0.000 0.000 0.219 13 A C 2.430 180.058 177.584 0.073 0.000 1.158 13 A CA 2.637 54.723 52.037 0.083 0.000 0.661 13 A CB -0.615 18.432 19.000 0.078 0.000 0.801 13 A HN 1.543 nan 8.150 nan 0.000 0.452 14 T N -3.010 111.588 114.554 0.074 0.000 3.129 14 T HA 0.168 4.518 4.350 -0.000 0.000 0.251 14 T C 1.032 175.767 174.700 0.057 0.000 1.117 14 T CA 0.965 63.104 62.100 0.065 0.000 1.034 14 T CB -0.057 68.853 68.868 0.071 0.000 0.968 14 T HN 0.735 nan 8.240 nan 0.000 0.526 15 V N -2.396 117.552 119.914 0.055 0.000 3.502 15 V HA 0.573 4.693 4.120 -0.000 0.000 0.288 15 V C 0.025 176.146 176.094 0.045 0.000 1.461 15 V CA -0.695 61.631 62.300 0.044 0.000 1.029 15 V CB 0.057 31.900 31.823 0.033 0.000 0.843 15 V HN 0.321 nan 8.190 nan 0.000 0.438 16 L N 1.822 123.080 121.223 0.059 0.000 2.294 16 L HA 0.718 5.058 4.340 -0.000 0.000 0.283 16 L C 0.226 177.179 176.870 0.140 0.000 1.015 16 L CA -0.247 54.638 54.840 0.073 0.000 0.831 16 L CB 1.458 43.545 42.059 0.047 0.000 1.217 16 L HN 0.225 nan 8.230 nan 0.000 0.420 17 S N 2.200 118.009 115.700 0.181 0.000 2.560 17 S HA 0.100 4.570 4.470 -0.000 0.000 0.284 17 S C 0.677 175.387 174.600 0.183 0.000 1.327 17 S CA 0.097 58.397 58.200 0.168 0.000 1.055 17 S CB 0.321 63.610 63.200 0.148 0.000 0.868 17 S HN 0.760 nan 8.310 nan 0.000 0.506 18 D N 2.428 122.881 120.400 0.088 0.000 2.395 18 D HA 0.038 4.678 4.640 -0.000 0.000 0.226 18 D C 1.495 177.777 176.300 -0.029 0.000 1.146 18 D CA 0.362 54.386 54.000 0.039 0.000 0.830 18 D CB -0.476 40.347 40.800 0.038 0.000 0.958 18 D HN 0.454 nan 8.370 nan 0.000 0.501 19 S N 0.114 115.790 115.700 -0.041 0.000 2.419 19 S HA -0.232 4.238 4.470 -0.000 0.000 0.235 19 S C 1.515 176.039 174.600 -0.128 0.000 1.019 19 S CA 0.805 58.965 58.200 -0.068 0.000 0.982 19 S CB -0.267 62.904 63.200 -0.047 0.000 0.789 19 S HN 0.192 nan 8.310 nan 0.000 0.490 20 Q N 0.402 120.064 119.800 -0.229 0.000 2.319 20 Q HA 0.438 4.778 4.340 -0.000 0.000 0.202 20 Q C 2.063 177.949 176.000 -0.190 0.000 0.896 20 Q CA 0.693 56.340 55.803 -0.260 0.000 0.942 20 Q CB -0.376 28.084 28.738 -0.462 0.000 1.083 20 Q HN 0.687 nan 8.270 nan 0.000 0.510 21 A N 1.059 123.798 122.820 -0.135 0.000 2.131 21 A HA -0.071 4.248 4.320 -0.000 0.000 0.220 21 A C 2.125 179.660 177.584 -0.083 0.000 1.158 21 A CA 1.469 53.456 52.037 -0.084 0.000 0.665 21 A CB -0.830 18.149 19.000 -0.036 0.000 0.795 21 A HN 0.410 nan 8.150 nan 0.000 0.460 22 G N 0.754 109.502 108.800 -0.086 0.000 2.559 22 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 22 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 22 G C 1.062 175.904 174.900 -0.097 0.000 1.126 22 G CA 0.860 45.913 45.100 -0.079 0.000 0.778 22 G HN 0.939 nan 8.290 nan 0.000 0.543 23 N N -0.910 117.718 118.700 -0.120 0.000 2.322 23 N HA 0.090 4.830 4.740 -0.000 0.000 0.194 23 N C 0.206 175.603 175.510 -0.189 0.000 1.126 23 N CA -0.300 52.665 53.050 -0.142 0.000 0.845 23 N CB 0.340 38.740 38.487 -0.145 0.000 0.976 23 N HN -0.002 nan 8.380 nan 0.000 0.475 24 R N 0.204 120.601 120.500 -0.172 0.000 2.854 24 R HA 0.446 4.786 4.340 -0.000 0.000 0.271 24 R C -0.983 175.232 176.300 -0.143 0.000 0.994 24 R CA -0.418 55.556 56.100 -0.209 0.000 0.945 24 R CB 1.823 32.020 30.300 -0.170 0.000 1.194 24 R HN -0.046 nan 8.270 nan 0.000 0.476 25 T N 1.844 116.310 114.554 -0.147 0.000 2.879 25 T HA 0.483 4.833 4.350 -0.000 0.000 0.290 25 T C -0.431 174.235 174.700 -0.057 0.000 0.993 25 T CA -0.499 61.543 62.100 -0.097 0.000 0.975 25 T CB 1.405 70.204 68.868 -0.114 0.000 0.981 25 T HN 0.476 nan 8.240 nan 0.000 0.439 26 I N 2.334 122.892 120.570 -0.021 0.000 2.404 26 I HA 0.632 4.802 4.170 -0.000 0.000 0.293 26 I C -0.661 175.461 176.117 0.009 0.000 0.992 26 I CA -0.679 60.630 61.300 0.015 0.000 1.149 26 I CB 0.665 38.689 38.000 0.039 0.000 1.315 26 I HN 0.708 nan 8.210 nan 0.000 0.446 27 c N 8.396 127.007 118.600 0.019 0.000 2.303 27 c HA 0.579 5.149 4.570 -0.000 0.000 0.326 27 c C -0.069 174.032 174.090 0.018 0.000 1.285 27 c CA -0.651 55.690 56.329 0.020 0.000 1.675 27 c CB -0.124 42.401 42.510 0.024 0.000 2.289 27 c HN 0.663 nan 8.230 nan 0.000 0.512 28 I N 7.583 128.153 120.570 -0.000 0.000 2.307 28 I HA 0.344 4.514 4.170 -0.000 0.000 0.289 28 I C -0.113 176.012 176.117 0.014 0.000 1.021 28 I CA -0.039 61.280 61.300 0.032 0.000 1.224 28 I CB 0.830 38.867 38.000 0.061 0.000 1.376 28 I HN 0.502 nan 8.210 nan 0.000 0.470 29 I N 6.498 127.082 120.570 0.023 0.000 2.291 29 I HA 0.283 4.453 4.170 -0.000 0.000 0.290 29 I C 0.004 176.149 176.117 0.048 0.000 1.050 29 I CA 0.400 61.680 61.300 -0.034 0.000 1.245 29 I CB 0.377 38.345 38.000 -0.052 0.000 1.405 29 I HN 0.687 nan 8.210 nan 0.000 0.478 30 D N 2.602 123.034 120.400 0.053 0.000 3.948 30 D HA 0.091 4.731 4.640 -0.000 0.000 0.338 30 D C 0.251 176.725 176.300 0.290 0.000 1.541 30 D CA -0.109 54.055 54.000 0.272 0.000 0.973 30 D CB 1.209 42.204 40.800 0.325 0.000 1.449 30 D HN 0.286 nan 8.370 nan 0.000 0.624 31 S N 0.100 116.046 115.700 0.410 0.000 2.679 31 S HA 0.530 5.000 4.470 -0.000 0.000 0.233 31 S C 0.805 175.536 174.600 0.218 0.000 0.951 31 S CA 0.895 59.294 58.200 0.331 0.000 0.973 31 S CB -0.225 63.165 63.200 0.316 0.000 0.778 31 S HN 0.942 nan 8.310 nan 0.000 0.477 32 G N 0.263 109.192 108.800 0.215 0.000 2.592 32 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.684 32 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.684 32 G C -1.236 173.859 174.900 0.326 0.000 1.291 32 G CA -0.607 44.644 45.100 0.251 0.000 0.891 32 G HN 0.798 nan 8.290 nan 0.000 0.544 33 Y N 0.680 121.106 120.300 0.210 0.000 2.331 33 Y HA 0.525 5.075 4.550 -0.000 0.000 0.326 33 Y C -0.430 175.552 175.900 0.137 0.000 1.020 33 Y CA -0.797 57.420 58.100 0.196 0.000 1.136 33 Y CB 1.961 40.624 38.460 0.339 0.000 1.157 33 Y HN 0.653 nan 8.280 nan 0.000 0.444 34 D N 5.658 126.046 120.400 -0.020 0.000 2.398 34 D HA 0.047 4.687 4.640 -0.000 0.000 0.250 34 D C 1.149 177.447 176.300 -0.005 0.000 1.287 34 D CA 0.370 54.371 54.000 0.000 0.000 0.992 34 D CB 0.457 41.240 40.800 -0.028 0.000 1.071 34 D HN 0.780 nan 8.370 nan 0.000 0.514 35 R N 1.585 122.204 120.500 0.197 0.000 2.285 35 R HA -0.104 4.236 4.340 -0.000 0.000 0.213 35 R C 1.699 178.067 176.300 0.113 0.000 1.068 35 R CA 1.095 57.348 56.100 0.255 0.000 1.004 35 R CB 0.181 30.609 30.300 0.214 0.000 0.873 35 R HN 0.383 nan 8.270 nan 0.000 0.467 36 S N -1.643 114.095 115.700 0.063 0.000 2.527 36 S HA -0.095 4.375 4.470 -0.000 0.000 0.222 36 S C 0.519 175.123 174.600 0.007 0.000 0.985 36 S CA -0.152 58.062 58.200 0.022 0.000 0.921 36 S CB -0.239 62.962 63.200 0.001 0.000 0.772 36 S HN 0.436 nan 8.310 nan 0.000 0.529 37 H N 2.293 121.314 119.070 -0.082 0.000 2.886 37 H HA 0.241 4.797 4.556 -0.000 0.000 0.329 37 H C 1.589 176.874 175.328 -0.072 0.000 1.044 37 H CA 0.395 56.372 56.048 -0.119 0.000 1.456 37 H CB 0.395 30.036 29.762 -0.202 0.000 1.464 37 H HN 0.258 nan 8.280 nan 0.000 0.573 38 N N 2.990 121.668 118.700 -0.037 0.000 2.272 38 N HA -0.202 4.538 4.740 -0.000 0.000 0.185 38 N C 0.313 175.938 175.510 0.191 0.000 1.014 38 N CA 1.189 54.279 53.050 0.067 0.000 0.870 38 N CB 0.170 38.656 38.487 -0.001 0.000 0.975 38 N HN 0.689 nan 8.380 nan 0.000 0.433 39 D N -0.132 120.517 120.400 0.416 0.000 2.340 39 D HA 0.119 4.759 4.640 -0.000 0.000 0.220 39 D C 1.275 177.603 176.300 0.047 0.000 1.039 39 D CA 0.238 54.350 54.000 0.187 0.000 0.866 39 D CB 0.468 41.355 40.800 0.144 0.000 0.913 39 D HN 0.370 nan 8.370 nan 0.000 0.523 40 L N -1.054 120.199 121.223 0.050 0.000 2.902 40 L HA 0.166 4.505 4.340 -0.000 0.000 0.254 40 L C 1.728 178.716 176.870 0.197 0.000 1.115 40 L CA -0.065 54.789 54.840 0.024 0.000 0.947 40 L CB 0.141 41.973 42.059 -0.378 0.000 1.369 40 L HN -0.167 nan 8.230 nan 0.000 0.538 41 N N 1.888 120.677 118.700 0.148 0.000 2.061 41 N HA -0.184 4.556 4.740 -0.000 0.000 0.193 41 N C 1.431 177.019 175.510 0.130 0.000 1.030 41 N CA 1.754 54.890 53.050 0.144 0.000 0.856 41 N CB 0.085 38.620 38.487 0.079 0.000 1.023 41 N HN 0.306 nan 8.380 nan 0.000 0.424 42 A N -0.645 122.237 122.820 0.103 0.000 2.411 42 A HA 0.194 4.514 4.320 -0.000 0.000 0.251 42 A C 0.156 177.787 177.584 0.079 0.000 1.317 42 A CA -0.446 51.636 52.037 0.075 0.000 0.904 42 A CB -0.357 18.674 19.000 0.051 0.000 0.993 42 A HN 0.253 nan 8.150 nan 0.000 0.504 43 N N 0.890 119.661 118.700 0.117 0.000 2.445 43 N HA 0.100 4.840 4.740 -0.000 0.000 0.264 43 N C -0.547 174.995 175.510 0.054 0.000 1.227 43 N CA -0.214 52.893 53.050 0.094 0.000 0.963 43 N CB 0.367 38.944 38.487 0.151 0.000 1.188 43 N HN 0.215 nan 8.380 nan 0.000 0.491 44 N N 0.715 119.428 118.700 0.021 0.000 2.895 44 N HA 0.059 4.799 4.740 -0.000 0.000 0.277 44 N C -0.761 174.728 175.510 -0.036 0.000 1.185 44 N CA 0.048 53.096 53.050 -0.004 0.000 1.106 44 N CB 0.328 38.806 38.487 -0.015 0.000 1.422 44 N HN 0.166 nan 8.380 nan 0.000 0.521 45 V N 1.448 121.336 119.914 -0.043 0.000 2.555 45 V HA 0.634 4.754 4.120 -0.000 0.000 0.302 45 V C 0.003 176.013 176.094 -0.139 0.000 1.038 45 V CA -0.242 61.962 62.300 -0.160 0.000 0.887 45 V CB 1.835 33.479 31.823 -0.299 0.000 0.991 45 V HN 0.614 nan 8.190 nan 0.000 0.434 46 T N 2.681 117.016 114.554 -0.364 0.000 2.838 46 T HA 0.970 5.320 4.350 -0.000 0.000 0.292 46 T C -0.201 173.677 174.700 -1.370 0.000 1.113 46 T CA -0.344 61.496 62.100 -0.434 0.000 1.008 46 T CB 1.806 70.629 68.868 -0.075 0.000 1.259 46 T HN 1.436 nan 8.240 nan 0.000 0.520 47 G N -0.582 107.321 108.800 -1.496 0.000 2.623 47 G HA2 0.567 4.527 3.960 -0.000 0.000 0.290 47 G HA3 0.567 4.527 3.960 -0.000 0.000 0.290 47 G C -1.543 172.814 174.900 -0.905 0.000 1.437 47 G CA -0.779 43.019 45.100 -2.170 0.000 0.798 47 G HN 0.820 nan 8.290 nan 0.000 0.488 48 T N 1.984 116.231 114.554 -0.512 0.000 2.864 48 T HA 0.401 4.751 4.350 -0.000 0.000 0.299 48 T C -0.079 174.690 174.700 0.115 0.000 1.011 48 T CA -0.659 61.443 62.100 0.004 0.000 0.975 48 T CB 0.865 69.823 68.868 0.150 0.000 0.962 48 T HN 0.411 nan 8.240 nan 0.000 0.448 49 N N 3.368 122.204 118.700 0.227 0.000 2.381 49 N HA 0.146 4.886 4.740 -0.000 0.000 0.241 49 N C -0.035 175.534 175.510 0.097 0.000 1.279 49 N CA 0.063 53.235 53.050 0.202 0.000 0.896 49 N CB 0.435 39.027 38.487 0.174 0.000 1.118 49 N HN 0.608 nan 8.380 nan 0.000 0.438 50 N N -0.861 117.870 118.700 0.051 0.000 2.249 50 N HA 0.061 4.801 4.740 -0.000 0.000 0.296 50 N C 0.543 176.004 175.510 -0.082 0.000 1.051 50 N CA -0.317 52.684 53.050 -0.082 0.000 0.815 50 N CB 1.138 39.507 38.487 -0.197 0.000 1.487 50 N HN 0.455 nan 8.380 nan 0.000 0.475 51 S N 1.601 117.237 115.700 -0.107 0.000 2.440 51 S HA -0.106 4.364 4.470 -0.000 0.000 0.240 51 S C 1.523 176.083 174.600 -0.067 0.000 1.014 51 S CA 1.380 59.537 58.200 -0.072 0.000 0.980 51 S CB -0.325 62.834 63.200 -0.068 0.000 0.775 51 S HN 0.669 nan 8.310 nan 0.000 0.499 52 G N 0.773 109.517 108.800 -0.094 0.000 2.939 52 G HA2 0.209 4.169 3.960 -0.000 0.000 0.210 52 G HA3 0.209 4.169 3.960 -0.000 0.000 0.210 52 G C 1.007 175.883 174.900 -0.041 0.000 1.160 52 G CA 0.626 45.690 45.100 -0.060 0.000 0.770 52 G HN 0.717 nan 8.290 nan 0.000 0.543 53 T N -3.103 111.429 114.554 -0.037 0.000 3.288 53 T HA 0.504 4.854 4.350 -0.000 0.000 0.293 53 T C 1.316 176.000 174.700 -0.027 0.000 1.008 53 T CA 0.777 62.866 62.100 -0.019 0.000 0.929 53 T CB 0.674 69.540 68.868 -0.003 0.000 1.152 53 T HN 1.154 nan 8.240 nan 0.000 0.517 54 G N 2.734 111.509 108.800 -0.043 0.000 2.574 54 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.286 54 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.286 54 G C -0.529 174.301 174.900 -0.116 0.000 1.212 54 G CA -0.212 44.841 45.100 -0.079 0.000 0.979 54 G HN 0.646 nan 8.290 nan 0.000 0.557 55 N N 1.980 120.523 118.700 -0.261 0.000 2.455 55 N HA 0.222 4.962 4.740 -0.000 0.000 0.280 55 N C 1.512 176.759 175.510 -0.439 0.000 1.055 55 N CA 0.106 52.850 53.050 -0.510 0.000 0.961 55 N CB 0.638 38.441 38.487 -1.140 0.000 1.121 55 N HN 0.769 nan 8.380 nan 0.000 0.476 56 W N 3.402 124.577 121.300 -0.208 0.000 2.364 56 W HA -0.197 4.463 4.660 -0.000 0.000 0.281 56 W C 0.591 177.107 176.519 -0.004 0.000 1.219 56 W CA 0.559 57.860 57.345 -0.074 0.000 1.220 56 W CB -0.805 28.637 29.460 -0.030 0.000 1.127 56 W HN 0.623 nan 8.180 nan 0.000 0.556 57 Y N 1.079 120.922 120.300 -0.763 0.000 2.471 57 Y HA 0.412 4.962 4.550 -0.000 0.000 0.286 57 Y C 0.480 176.232 175.900 -0.247 0.000 1.188 57 Y CA -0.119 57.577 58.100 -0.673 0.000 1.286 57 Y CB -0.899 36.800 38.460 -1.268 0.000 1.072 57 Y HN 0.002 nan 8.280 nan 0.000 0.517 58 Q N 2.556 122.130 119.800 -0.376 0.000 2.616 58 Q HA 0.220 4.560 4.340 -0.000 0.000 0.250 58 Q C -2.195 173.740 176.000 -0.108 0.000 0.991 58 Q CA -2.126 53.550 55.803 -0.211 0.000 0.707 58 Q CB 1.785 30.333 28.738 -0.316 0.000 1.247 58 Q HN 0.076 nan 8.270 nan 0.000 0.491 59 P HA -0.174 nan 4.420 nan 0.000 0.219 59 P C 0.702 178.010 177.300 0.013 0.000 1.146 59 P CA 1.718 64.835 63.100 0.028 0.000 0.808 59 P CB 0.462 32.199 31.700 0.062 0.000 0.779 60 G N 0.067 108.863 108.800 -0.007 0.000 2.545 60 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 60 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 60 G C -0.918 173.989 174.900 0.011 0.000 1.314 60 G CA -0.610 44.487 45.100 -0.006 0.000 0.906 60 G HN 0.253 nan 8.290 nan 0.000 0.563 61 N N 2.209 120.917 118.700 0.013 0.000 2.479 61 N HA 0.361 5.101 4.740 -0.000 0.000 0.285 61 N C 0.446 175.973 175.510 0.029 0.000 1.075 61 N CA -0.055 53.007 53.050 0.019 0.000 0.967 61 N CB 0.721 39.216 38.487 0.013 0.000 1.137 61 N HN 0.692 nan 8.380 nan 0.000 0.472 62 N N 0.934 119.655 118.700 0.036 0.000 2.714 62 N HA -0.239 4.500 4.740 -0.000 0.000 0.252 62 N C -0.673 174.865 175.510 0.047 0.000 1.014 62 N CA 0.574 53.648 53.050 0.041 0.000 0.735 62 N CB -1.072 37.431 38.487 0.027 0.000 0.924 62 N HN 0.634 nan 8.380 nan 0.000 0.540 63 N N -0.914 117.826 118.700 0.067 0.000 2.622 63 N HA 0.379 5.119 4.740 -0.000 0.000 0.293 63 N C 0.410 175.995 175.510 0.124 0.000 1.788 63 N CA 0.276 53.376 53.050 0.084 0.000 0.860 63 N CB 0.324 38.856 38.487 0.076 0.000 1.388 63 N HN 0.283 nan 8.380 nan 0.000 0.496 64 A N -0.639 122.271 122.820 0.150 0.000 2.238 64 A HA -0.023 4.297 4.320 -0.000 0.000 0.208 64 A C 1.778 179.503 177.584 0.235 0.000 1.177 64 A CA 0.254 52.391 52.037 0.167 0.000 0.804 64 A CB -0.724 18.375 19.000 0.164 0.000 0.823 64 A HN 0.616 nan 8.150 nan 0.000 0.482 65 H N 0.551 119.732 119.070 0.185 0.000 2.319 65 H HA -0.188 4.368 4.556 -0.000 0.000 0.297 65 H C 2.185 177.623 175.328 0.184 0.000 1.097 65 H CA 2.163 58.345 56.048 0.223 0.000 1.285 65 H CB -0.262 29.557 29.762 0.095 0.000 1.368 65 H HN 0.445 nan 8.280 nan 0.000 0.495 66 G N -1.031 107.934 108.800 0.275 0.000 2.443 66 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 66 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 66 G C 1.742 176.701 174.900 0.099 0.000 1.131 66 G CA 1.078 46.304 45.100 0.210 0.000 0.775 66 G HN 0.405 nan 8.290 nan 0.000 0.547 67 T N -0.553 114.026 114.554 0.042 0.000 2.857 67 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 67 T C 1.995 176.582 174.700 -0.188 0.000 1.048 67 T CA 0.908 62.941 62.100 -0.112 0.000 1.139 67 T CB -0.282 68.510 68.868 -0.128 0.000 0.874 67 T HN 0.372 nan 8.240 nan 0.000 0.455 68 H N 0.826 119.741 119.070 -0.258 0.000 2.326 68 H HA -0.003 4.553 4.556 -0.000 0.000 0.301 68 H C 2.257 177.407 175.328 -0.297 0.000 1.081 68 H CA 1.327 57.144 56.048 -0.386 0.000 1.334 68 H CB -0.311 29.073 29.762 -0.630 0.000 1.385 68 H HN 0.131 nan 8.280 nan 0.000 0.504 69 V N 1.348 121.217 119.914 -0.075 0.000 2.287 69 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 69 V C 3.031 179.078 176.094 -0.079 0.000 1.053 69 V CA 1.693 63.955 62.300 -0.064 0.000 1.027 69 V CB -1.187 30.625 31.823 -0.018 0.000 0.646 69 V HN 0.567 nan 8.190 nan 0.000 0.447 70 A N 0.366 123.159 122.820 -0.046 0.000 1.933 70 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 70 A C 2.413 179.935 177.584 -0.104 0.000 1.175 70 A CA 1.892 53.932 52.037 0.005 0.000 0.628 70 A CB -1.178 17.898 19.000 0.126 0.000 0.814 70 A HN 0.543 nan 8.150 nan 0.000 0.444 71 G N -1.264 107.391 108.800 -0.241 0.000 2.432 71 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.219 71 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.219 71 G C 1.522 176.263 174.900 -0.264 0.000 1.135 71 G CA 1.587 46.514 45.100 -0.288 0.000 0.767 71 G HN 0.429 nan 8.290 nan 0.000 0.550 72 T N 1.043 115.411 114.554 -0.309 0.000 2.821 72 T HA 0.005 4.355 4.350 -0.000 0.000 0.267 72 T C 2.346 176.880 174.700 -0.277 0.000 1.046 72 T CA 0.766 62.647 62.100 -0.366 0.000 1.139 72 T CB -0.074 68.513 68.868 -0.469 0.000 0.871 72 T HN 0.264 nan 8.240 nan 0.000 0.454 73 I N 0.379 120.847 120.570 -0.170 0.000 2.333 73 I HA 0.065 4.235 4.170 -0.000 0.000 0.246 73 I C 1.790 177.879 176.117 -0.048 0.000 1.106 73 I CA 0.867 62.114 61.300 -0.088 0.000 1.411 73 I CB 0.060 38.044 38.000 -0.027 0.000 1.082 73 I HN 0.141 nan 8.210 nan 0.000 0.420 74 A N 0.348 123.145 122.820 -0.038 0.000 2.579 74 A HA 0.654 4.974 4.320 -0.000 0.000 0.254 74 A C 0.378 177.954 177.584 -0.013 0.000 0.873 74 A CA -0.291 51.743 52.037 -0.005 0.000 1.106 74 A CB -0.331 18.695 19.000 0.043 0.000 1.222 74 A HN 0.116 nan 8.150 nan 0.000 0.470 75 A N 0.629 123.411 122.820 -0.065 0.000 2.546 75 A HA 0.479 4.799 4.320 -0.000 0.000 0.243 75 A C 0.269 177.843 177.584 -0.016 0.000 1.063 75 A CA 0.316 52.314 52.037 -0.065 0.000 0.757 75 A CB -0.377 18.566 19.000 -0.095 0.000 0.991 75 A HN 0.574 nan 8.150 nan 0.000 0.503 76 I N 1.799 122.377 120.570 0.013 0.000 2.529 76 I HA 0.257 4.427 4.170 -0.000 0.000 0.284 76 I C 1.070 177.201 176.117 0.024 0.000 1.082 76 I CA 0.001 61.318 61.300 0.027 0.000 1.406 76 I CB 1.161 39.188 38.000 0.044 0.000 1.405 76 I HN 0.712 nan 8.210 nan 0.000 0.548 77 A N 5.557 128.389 122.820 0.019 0.000 2.395 77 A HA 0.306 4.626 4.320 -0.000 0.000 0.286 77 A C 0.208 177.804 177.584 0.019 0.000 1.193 77 A CA -0.300 51.746 52.037 0.016 0.000 0.852 77 A CB -0.527 18.482 19.000 0.015 0.000 1.118 77 A HN 0.861 nan 8.150 nan 0.000 0.524 78 N N 1.026 119.737 118.700 0.019 0.000 2.453 78 N HA -0.001 4.739 4.740 -0.000 0.000 0.267 78 N C -0.240 175.277 175.510 0.011 0.000 1.482 78 N CA -0.069 52.992 53.050 0.019 0.000 0.841 78 N CB -0.855 37.650 38.487 0.029 0.000 1.408 78 N HN 0.523 nan 8.380 nan 0.000 0.490 79 N N -0.057 118.646 118.700 0.004 0.000 2.714 79 N HA -0.284 4.456 4.740 -0.000 0.000 0.250 79 N C -1.145 174.357 175.510 -0.014 0.000 1.117 79 N CA 1.609 54.656 53.050 -0.005 0.000 0.719 79 N CB -0.556 37.929 38.487 -0.004 0.000 1.081 79 N HN 0.763 nan 8.380 nan 0.000 0.557 80 E N -2.121 118.073 120.200 -0.011 0.000 2.392 80 E HA 0.611 4.961 4.350 -0.000 0.000 0.279 80 E C 0.816 177.395 176.600 -0.035 0.000 0.964 80 E CA 0.097 56.484 56.400 -0.022 0.000 0.777 80 E CB 0.993 30.701 29.700 0.013 0.000 1.249 80 E HN 0.436 nan 8.360 nan 0.000 0.449 81 G N 0.866 109.581 108.800 -0.141 0.000 2.596 81 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.304 81 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.304 81 G C 0.121 174.824 174.900 -0.328 0.000 1.189 81 G CA 1.103 45.956 45.100 -0.410 0.000 0.986 81 G HN 1.414 nan 8.290 nan 0.000 0.548 82 V N -2.325 117.482 119.914 -0.178 0.000 3.139 82 V HA 0.963 5.083 4.120 -0.000 0.000 0.310 82 V C 0.479 176.545 176.094 -0.046 0.000 1.260 82 V CA 0.136 62.370 62.300 -0.110 0.000 1.064 82 V CB 1.195 32.937 31.823 -0.134 0.000 1.160 82 V HN 2.319 nan 8.190 nan 0.000 0.470 83 V N -2.396 117.487 119.914 -0.052 0.000 2.925 83 V HA 1.024 5.144 4.120 -0.000 0.000 0.311 83 V C 0.220 176.275 176.094 -0.065 0.000 1.104 83 V CA 0.288 62.565 62.300 -0.038 0.000 0.954 83 V CB 0.922 32.737 31.823 -0.014 0.000 1.022 83 V HN 1.504 nan 8.190 nan 0.000 0.427 84 G N 0.870 109.632 108.800 -0.063 0.000 2.642 84 G HA2 0.506 4.466 3.960 -0.000 0.000 0.291 84 G HA3 0.506 4.466 3.960 -0.000 0.000 0.291 84 G C 0.637 175.506 174.900 -0.051 0.000 1.345 84 G CA -0.103 44.943 45.100 -0.091 0.000 1.043 84 G HN 0.908 nan 8.290 nan 0.000 0.528 85 V N -0.046 119.833 119.914 -0.059 0.000 2.332 85 V HA -0.071 4.049 4.120 -0.000 0.000 0.248 85 V C 1.378 177.485 176.094 0.020 0.000 1.055 85 V CA 1.592 63.887 62.300 -0.008 0.000 1.038 85 V CB -0.540 31.281 31.823 -0.003 0.000 0.651 85 V HN 0.435 nan 8.190 nan 0.000 0.450 86 M N 1.150 120.758 119.600 0.013 0.000 2.065 86 M HA 0.287 4.766 4.480 -0.000 0.000 0.308 86 M C -2.193 174.116 176.300 0.015 0.000 0.939 86 M CA -1.187 54.128 55.300 0.025 0.000 0.890 86 M CB 2.256 34.873 32.600 0.028 0.000 1.383 86 M HN 0.007 nan 8.290 nan 0.000 0.381 87 P HA 0.117 nan 4.420 nan 0.000 0.261 87 P C -0.269 177.042 177.300 0.018 0.000 1.268 87 P CA 0.601 63.709 63.100 0.013 0.000 0.833 87 P CB 0.029 31.734 31.700 0.009 0.000 1.231 88 N N 0.645 119.356 118.700 0.018 0.000 2.320 88 N HA 0.113 4.853 4.740 -0.000 0.000 0.237 88 N C -0.250 175.267 175.510 0.013 0.000 1.129 88 N CA -0.203 52.856 53.050 0.015 0.000 0.854 88 N CB -0.174 38.321 38.487 0.014 0.000 1.083 88 N HN -0.043 nan 8.380 nan 0.000 0.504 89 Q N -1.029 118.781 119.800 0.017 0.000 2.468 89 Q HA -0.274 4.066 4.340 -0.000 0.000 0.289 89 Q C -0.226 175.777 176.000 0.004 0.000 1.299 89 Q CA 0.552 56.365 55.803 0.017 0.000 0.838 89 Q CB -1.944 26.805 28.738 0.020 0.000 1.195 89 Q HN 0.632 nan 8.270 nan 0.000 0.456 90 N N -0.469 118.230 118.700 -0.002 0.000 2.606 90 N HA 0.250 4.989 4.740 -0.000 0.000 0.208 90 N C 0.421 175.916 175.510 -0.024 0.000 1.046 90 N CA 0.317 53.356 53.050 -0.018 0.000 0.891 90 N CB 0.329 38.800 38.487 -0.026 0.000 1.344 90 N HN 0.332 nan 8.380 nan 0.000 0.437 91 A N 1.181 123.992 122.820 -0.016 0.000 2.520 91 A HA 0.125 4.445 4.320 -0.000 0.000 0.235 91 A C -0.300 177.269 177.584 -0.026 0.000 1.065 91 A CA 0.136 52.161 52.037 -0.021 0.000 0.764 91 A CB 0.072 19.070 19.000 -0.003 0.000 1.002 91 A HN 0.263 nan 8.150 nan 0.000 0.502 92 N N 0.983 119.658 118.700 -0.041 0.000 2.426 92 N HA 0.482 5.222 4.740 -0.000 0.000 0.275 92 N C -0.953 174.528 175.510 -0.049 0.000 1.019 92 N CA 0.088 53.108 53.050 -0.049 0.000 0.941 92 N CB 1.344 39.793 38.487 -0.064 0.000 1.123 92 N HN 0.539 nan 8.380 nan 0.000 0.486 93 I N 1.417 121.946 120.570 -0.069 0.000 2.465 93 I HA 0.210 4.380 4.170 -0.000 0.000 0.291 93 I C -0.471 175.552 176.117 -0.157 0.000 1.014 93 I CA -0.707 60.536 61.300 -0.095 0.000 1.093 93 I CB 1.658 39.591 38.000 -0.111 0.000 1.267 93 I HN 0.416 nan 8.210 nan 0.000 0.431 94 H N 6.202 125.123 119.070 -0.249 0.000 2.489 94 H HA 0.591 5.147 4.556 -0.000 0.000 0.343 94 H C -1.165 173.949 175.328 -0.357 0.000 1.086 94 H CA -0.517 55.323 56.048 -0.346 0.000 1.198 94 H CB 1.307 30.916 29.762 -0.253 0.000 1.490 94 H HN 0.302 nan 8.280 nan 0.000 0.504 95 I N 5.952 125.949 120.570 -0.956 0.000 2.404 95 I HA 0.260 4.430 4.170 -0.000 0.000 0.293 95 I C -0.594 175.213 176.117 -0.518 0.000 0.992 95 I CA -0.807 60.129 61.300 -0.607 0.000 1.149 95 I CB 1.402 39.090 38.000 -0.521 0.000 1.315 95 I HN 0.346 nan 8.210 nan 0.000 0.446 96 V N 6.482 126.269 119.914 -0.213 0.000 2.409 96 V HA 0.298 4.418 4.120 -0.000 0.000 0.290 96 V C 0.178 176.201 176.094 -0.117 0.000 1.017 96 V CA -0.921 61.299 62.300 -0.134 0.000 0.841 96 V CB 2.007 33.757 31.823 -0.122 0.000 1.003 96 V HN 0.644 nan 8.190 nan 0.000 0.426 97 K N 3.884 124.270 120.400 -0.024 0.000 2.263 97 K HA 0.365 4.685 4.320 -0.000 0.000 0.282 97 K C 0.681 177.164 176.600 -0.194 0.000 1.089 97 K CA -0.262 56.006 56.287 -0.033 0.000 0.907 97 K CB 1.279 33.835 32.500 0.094 0.000 1.148 97 K HN 0.637 nan 8.250 nan 0.000 0.470 98 V N 1.599 121.199 119.914 -0.524 0.000 3.644 98 V HA 0.326 4.446 4.120 -0.000 0.000 0.267 98 V C 0.064 175.552 176.094 -1.011 0.000 1.277 98 V CA -0.096 61.567 62.300 -1.062 0.000 1.096 98 V CB -0.529 30.199 31.823 -1.826 0.000 0.828 98 V HN 0.408 nan 8.190 nan 0.000 0.446 99 F N 1.443 121.234 119.950 -0.264 0.000 2.480 99 F HA 0.659 5.186 4.527 -0.000 0.000 0.329 99 F C 0.462 176.228 175.800 -0.056 0.000 1.091 99 F CA -0.841 57.083 58.000 -0.126 0.000 0.972 99 F CB 1.478 40.459 39.000 -0.032 0.000 1.150 99 F HN -0.047 nan 8.300 nan 0.000 0.467 100 N N 0.869 119.682 118.700 0.189 0.000 2.525 100 N HA 0.124 4.864 4.740 -0.000 0.000 0.288 100 N C 0.909 176.484 175.510 0.108 0.000 1.242 100 N CA -0.563 52.552 53.050 0.108 0.000 0.905 100 N CB 1.198 39.726 38.487 0.069 0.000 1.258 100 N HN 0.750 nan 8.380 nan 0.000 0.551 101 E N 0.626 120.866 120.200 0.067 0.000 2.097 101 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 101 E C 1.182 177.809 176.600 0.044 0.000 1.000 101 E CA 1.508 57.936 56.400 0.046 0.000 0.804 101 E CB -0.002 29.717 29.700 0.033 0.000 0.740 101 E HN 0.625 nan 8.360 nan 0.000 0.454 102 A N 0.188 123.044 122.820 0.059 0.000 2.119 102 A HA 0.267 4.587 4.320 -0.000 0.000 0.217 102 A C 1.120 178.761 177.584 0.094 0.000 1.153 102 A CA 1.314 53.389 52.037 0.064 0.000 0.692 102 A CB -0.204 18.835 19.000 0.064 0.000 0.799 102 A HN 0.525 nan 8.150 nan 0.000 0.458 103 G N -2.374 106.511 108.800 0.142 0.000 2.270 103 G HA2 0.010 3.970 3.960 -0.000 0.000 0.268 103 G HA3 0.010 3.970 3.960 -0.000 0.000 0.268 103 G C -0.821 174.349 174.900 0.450 0.000 1.312 103 G CA -0.375 44.870 45.100 0.242 0.000 1.050 103 G HN 0.642 nan 8.290 nan 0.000 0.474 104 W N 2.395 123.927 121.300 0.387 0.000 2.417 104 W HA 0.454 5.114 4.660 -0.000 0.000 0.332 104 W C 0.799 177.411 176.519 0.154 0.000 1.413 104 W CA 1.136 58.646 57.345 0.276 0.000 1.299 104 W CB 0.380 29.949 29.460 0.182 0.000 1.304 104 W HN 1.147 nan 8.180 nan 0.000 0.565 105 G N 5.429 114.125 108.800 -0.174 0.000 3.342 105 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.252 105 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.252 105 G C -0.615 174.201 174.900 -0.140 0.000 1.011 105 G CA -0.365 44.705 45.100 -0.050 0.000 0.869 105 G HN 0.491 nan 8.290 nan 0.000 0.514 106 Y N 2.931 122.814 120.300 -0.695 0.000 2.712 106 Y HA 0.144 4.694 4.550 -0.000 0.000 0.333 106 Y C 2.020 177.892 175.900 -0.046 0.000 1.225 106 Y CA 0.157 57.984 58.100 -0.456 0.000 1.499 106 Y CB 1.343 39.335 38.460 -0.779 0.000 1.288 106 Y HN 0.130 nan 8.280 nan 0.000 0.575 107 S N 0.896 116.438 115.700 -0.263 0.000 2.447 107 S HA -0.007 4.463 4.470 -0.000 0.000 0.233 107 S C 0.710 175.296 174.600 -0.024 0.000 1.006 107 S CA 0.872 59.000 58.200 -0.121 0.000 0.957 107 S CB -0.149 62.938 63.200 -0.189 0.000 0.773 107 S HN 0.444 nan 8.310 nan 0.000 0.507 108 S N 0.980 116.649 115.700 -0.050 0.000 2.795 108 S HA 0.685 5.155 4.470 -0.000 0.000 0.308 108 S C 0.077 174.993 174.600 0.527 0.000 1.098 108 S CA -0.368 57.940 58.200 0.180 0.000 0.934 108 S CB 1.464 64.711 63.200 0.079 0.000 1.300 108 S HN 0.662 nan 8.310 nan 0.000 0.566 109 S N 0.276 116.214 115.700 0.398 0.000 2.655 109 S HA 0.347 4.817 4.470 -0.000 0.000 0.265 109 S C 1.012 175.872 174.600 0.435 0.000 1.240 109 S CA -0.553 57.859 58.200 0.354 0.000 0.986 109 S CB 0.148 63.449 63.200 0.169 0.000 0.985 109 S HN 0.533 nan 8.310 nan 0.000 0.562 110 L N 1.412 122.803 121.223 0.280 0.000 2.083 110 L HA 0.011 4.351 4.340 -0.000 0.000 0.209 110 L C 2.298 179.273 176.870 0.176 0.000 1.083 110 L CA 1.576 56.572 54.840 0.259 0.000 0.752 110 L CB -0.921 41.224 42.059 0.144 0.000 0.899 110 L HN 0.674 nan 8.230 nan 0.000 0.433 111 V N 0.214 120.222 119.914 0.156 0.000 2.332 111 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 111 V C 2.823 179.021 176.094 0.175 0.000 1.055 111 V CA 1.680 64.069 62.300 0.149 0.000 1.038 111 V CB -1.341 30.552 31.823 0.117 0.000 0.651 111 V HN 0.632 nan 8.190 nan 0.000 0.450 112 A N -0.165 122.782 122.820 0.211 0.000 1.933 112 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 112 A C 2.413 180.154 177.584 0.262 0.000 1.175 112 A CA 2.055 54.235 52.037 0.239 0.000 0.628 112 A CB -0.695 18.473 19.000 0.280 0.000 0.814 112 A HN 0.581 nan 8.150 nan 0.000 0.444 113 A N -0.058 122.900 122.820 0.231 0.000 1.898 113 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 113 A C 2.101 179.695 177.584 0.016 0.000 1.181 113 A CA 1.476 53.526 52.037 0.021 0.000 0.620 113 A CB -0.561 18.229 19.000 -0.350 0.000 0.819 113 A HN 0.502 nan 8.150 nan 0.000 0.442 114 I N -0.117 120.467 120.570 0.022 0.000 2.252 114 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 114 I C 1.784 177.846 176.117 -0.091 0.000 1.102 114 I CA 1.315 62.579 61.300 -0.060 0.000 1.385 114 I CB -0.494 37.461 38.000 -0.076 0.000 1.064 114 I HN 0.228 nan 8.210 nan 0.000 0.414 115 D N 0.606 121.045 120.400 0.064 0.000 2.123 115 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 115 D C 2.212 178.550 176.300 0.064 0.000 0.992 115 D CA 1.647 55.728 54.000 0.134 0.000 0.833 115 D CB -0.442 40.465 40.800 0.180 0.000 0.954 115 D HN 0.266 nan 8.370 nan 0.000 0.455 116 T N 0.216 114.815 114.554 0.074 0.000 2.746 116 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 116 T C 2.265 176.966 174.700 0.002 0.000 1.039 116 T CA 0.927 63.067 62.100 0.066 0.000 1.142 116 T CB -0.574 68.377 68.868 0.139 0.000 0.866 116 T HN 0.231 nan 8.240 nan 0.000 0.444 117 c N 0.933 119.529 118.600 -0.007 0.000 2.398 117 c HA -0.056 4.514 4.570 -0.000 0.000 0.276 117 c C 2.863 176.871 174.090 -0.136 0.000 1.222 117 c CA 0.479 56.779 56.329 -0.048 0.000 1.746 117 c CB -1.145 41.337 42.510 -0.046 0.000 2.039 117 c HN 0.373 nan 8.230 nan 0.000 0.470 118 V N 1.516 121.365 119.914 -0.108 0.000 2.283 118 V HA -0.135 3.985 4.120 -0.000 0.000 0.243 118 V C 2.138 178.190 176.094 -0.070 0.000 1.039 118 V CA 2.016 64.265 62.300 -0.084 0.000 1.016 118 V CB -0.647 31.154 31.823 -0.037 0.000 0.650 118 V HN 0.518 nan 8.190 nan 0.000 0.449 119 N N 0.212 118.890 118.700 -0.036 0.000 2.171 119 N HA -0.075 4.665 4.740 -0.000 0.000 0.184 119 N C 1.991 177.453 175.510 -0.080 0.000 1.021 119 N CA 1.680 54.710 53.050 -0.033 0.000 0.854 119 N CB -0.213 38.280 38.487 0.010 0.000 0.994 119 N HN 0.377 nan 8.380 nan 0.000 0.426 120 S N -0.642 114.989 115.700 -0.116 0.000 2.456 120 S HA 0.127 4.597 4.470 -0.000 0.000 0.224 120 S C 1.825 176.183 174.600 -0.404 0.000 1.035 120 S CA 0.596 58.702 58.200 -0.158 0.000 0.940 120 S CB 0.240 63.410 63.200 -0.050 0.000 0.799 120 S HN 0.483 nan 8.310 nan 0.000 0.508 121 G N 0.201 108.609 108.800 -0.654 0.000 2.887 121 G HA2 0.405 4.365 3.960 -0.000 0.000 0.211 121 G HA3 0.405 4.365 3.960 -0.000 0.000 0.211 121 G C 0.930 175.564 174.900 -0.444 0.000 1.152 121 G CA 0.214 44.693 45.100 -1.035 0.000 0.769 121 G HN 0.725 nan 8.290 nan 0.000 0.541 122 G N -0.048 108.588 108.800 -0.273 0.000 2.249 122 G HA2 0.091 4.051 3.960 -0.000 0.000 0.273 122 G HA3 0.091 4.051 3.960 -0.000 0.000 0.273 122 G C 0.544 175.351 174.900 -0.155 0.000 1.036 122 G CA 0.378 45.374 45.100 -0.173 0.000 0.824 122 G HN 1.344 nan 8.290 nan 0.000 0.504 123 A N -0.873 121.857 122.820 -0.150 0.000 2.511 123 A HA 0.569 4.889 4.320 -0.000 0.000 0.242 123 A C 1.068 178.607 177.584 -0.075 0.000 1.069 123 A CA 0.981 52.957 52.037 -0.102 0.000 0.763 123 A CB 0.175 19.131 19.000 -0.074 0.000 1.001 123 A HN 0.581 nan 8.150 nan 0.000 0.498 124 N N 0.167 118.815 118.700 -0.086 0.000 2.454 124 N HA 0.178 4.918 4.740 -0.000 0.000 0.177 124 N C -0.566 175.040 175.510 0.161 0.000 1.049 124 N CA 0.343 53.331 53.050 -0.104 0.000 0.887 124 N CB 0.545 38.743 38.487 -0.480 0.000 1.095 124 N HN 0.403 nan 8.380 nan 0.000 0.446 125 V N 1.440 121.438 119.914 0.139 0.000 2.540 125 V HA 0.433 4.553 4.120 -0.000 0.000 0.302 125 V C -0.723 175.436 176.094 0.108 0.000 1.035 125 V CA -0.824 61.602 62.300 0.209 0.000 0.873 125 V CB 2.308 34.273 31.823 0.236 0.000 0.992 125 V HN -0.226 nan 8.190 nan 0.000 0.428 126 V N 3.323 123.298 119.914 0.102 0.000 2.407 126 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 126 V C 0.091 176.232 176.094 0.080 0.000 1.018 126 V CA -0.278 62.058 62.300 0.060 0.000 0.842 126 V CB 1.888 33.723 31.823 0.020 0.000 0.996 126 V HN 0.921 nan 8.190 nan 0.000 0.426 127 T N 6.854 121.454 114.554 0.077 0.000 2.771 127 T HA 0.698 5.048 4.350 -0.000 0.000 0.281 127 T C -0.483 174.279 174.700 0.103 0.000 0.982 127 T CA -0.395 61.761 62.100 0.093 0.000 0.978 127 T CB 0.489 69.410 68.868 0.090 0.000 0.930 127 T HN 0.576 nan 8.240 nan 0.000 0.447 128 M N 4.133 123.807 119.600 0.123 0.000 1.999 128 M HA 0.294 4.774 4.480 -0.000 0.000 0.299 128 M C 0.185 176.597 176.300 0.186 0.000 0.900 128 M CA -0.434 54.958 55.300 0.153 0.000 0.904 128 M CB 1.676 34.363 32.600 0.144 0.000 1.477 128 M HN 0.374 nan 8.290 nan 0.000 0.403 129 S N 4.543 120.383 115.700 0.233 0.000 4.120 129 S HA 0.468 4.938 4.470 -0.000 0.000 0.196 129 S C -0.500 174.280 174.600 0.301 0.000 1.447 129 S CA -0.478 57.886 58.200 0.274 0.000 0.939 129 S CB -0.912 62.489 63.200 0.335 0.000 1.496 129 S HN 0.548 nan 8.310 nan 0.000 0.460 130 L N -2.089 119.282 121.223 0.246 0.000 2.671 130 L HA 1.068 5.408 4.340 -0.000 0.000 0.259 130 L C -0.486 176.498 176.870 0.189 0.000 1.021 130 L CA -0.797 54.196 54.840 0.255 0.000 0.871 130 L CB 1.025 43.350 42.059 0.444 0.000 1.472 130 L HN 0.136 nan 8.230 nan 0.000 0.410 131 G N -1.648 107.251 108.800 0.165 0.000 2.579 131 G HA2 0.719 4.679 3.960 -0.000 0.000 0.292 131 G HA3 0.719 4.679 3.960 -0.000 0.000 0.292 131 G C -1.462 173.497 174.900 0.097 0.000 1.484 131 G CA -0.116 45.053 45.100 0.116 0.000 0.813 131 G HN 1.116 nan 8.290 nan 0.000 0.515 132 G N -1.208 107.648 108.800 0.094 0.000 2.672 132 G HA2 0.629 4.589 3.960 -0.000 0.000 0.292 132 G HA3 0.629 4.589 3.960 -0.000 0.000 0.292 132 G C 0.866 175.844 174.900 0.130 0.000 1.375 132 G CA 0.734 45.882 45.100 0.079 0.000 0.890 132 G HN 1.504 nan 8.290 nan 0.000 0.476 133 S N -0.571 115.191 115.700 0.104 0.000 2.470 133 S HA 0.217 4.687 4.470 -0.000 0.000 0.225 133 S C 1.341 176.042 174.600 0.169 0.000 1.006 133 S CA 0.640 58.928 58.200 0.148 0.000 0.934 133 S CB -0.064 63.184 63.200 0.079 0.000 0.778 133 S HN 1.047 nan 8.310 nan 0.000 0.517 134 G N 1.270 110.105 108.800 0.058 0.000 2.507 134 G HA2 0.506 4.466 3.960 -0.000 0.000 0.271 134 G HA3 0.506 4.466 3.960 -0.000 0.000 0.271 134 G C -0.503 174.239 174.900 -0.263 0.000 1.189 134 G CA -0.129 44.933 45.100 -0.064 0.000 0.859 134 G HN 0.651 nan 8.290 nan 0.000 0.542 135 S N -0.944 114.514 115.700 -0.404 0.000 2.546 135 S HA 0.843 5.313 4.470 -0.000 0.000 0.274 135 S C -0.438 174.053 174.600 -0.182 0.000 1.121 135 S CA -0.380 57.491 58.200 -0.548 0.000 0.887 135 S CB 2.089 64.522 63.200 -1.278 0.000 1.094 135 S HN 1.358 nan 8.310 nan 0.000 0.474 136 T N -2.127 112.416 114.554 -0.018 0.000 2.883 136 T HA 0.542 4.892 4.350 -0.000 0.000 0.301 136 T C 0.615 175.298 174.700 -0.028 0.000 1.158 136 T CA -0.525 61.559 62.100 -0.027 0.000 1.007 136 T CB 1.183 70.034 68.868 -0.027 0.000 1.186 136 T HN 0.429 nan 8.240 nan 0.000 0.499 137 T N 1.198 115.728 114.554 -0.040 0.000 2.904 137 T HA -0.019 4.331 4.350 -0.000 0.000 0.267 137 T C 2.020 176.673 174.700 -0.078 0.000 1.059 137 T CA 1.885 63.953 62.100 -0.054 0.000 1.137 137 T CB -0.615 68.231 68.868 -0.036 0.000 0.879 137 T HN 0.814 nan 8.240 nan 0.000 0.467 138 T N 2.033 116.551 114.554 -0.061 0.000 2.720 138 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 138 T C 1.925 176.570 174.700 -0.092 0.000 1.037 138 T CA 1.110 63.175 62.100 -0.058 0.000 1.144 138 T CB -0.181 68.668 68.868 -0.033 0.000 0.864 138 T HN 0.498 nan 8.240 nan 0.000 0.444 139 E N 0.604 120.733 120.200 -0.118 0.000 2.047 139 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 139 E C 2.503 178.834 176.600 -0.448 0.000 0.987 139 E CA 0.682 56.963 56.400 -0.199 0.000 0.799 139 E CB -0.145 29.482 29.700 -0.122 0.000 0.752 139 E HN 0.319 nan 8.360 nan 0.000 0.449 140 R N 1.090 121.238 120.500 -0.586 0.000 2.083 140 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 140 R C 1.859 177.985 176.300 -0.290 0.000 1.137 140 R CA 1.949 57.668 56.100 -0.635 0.000 0.951 140 R CB -0.182 29.938 30.300 -0.301 0.000 0.851 140 R HN 0.196 nan 8.270 nan 0.000 0.434 141 N N -0.401 118.193 118.700 -0.176 0.000 2.084 141 N HA -0.163 4.577 4.740 -0.000 0.000 0.190 141 N C 1.837 177.292 175.510 -0.092 0.000 1.030 141 N CA 1.085 54.075 53.050 -0.101 0.000 0.849 141 N CB -0.169 38.274 38.487 -0.074 0.000 1.012 141 N HN 0.282 nan 8.380 nan 0.000 0.423 142 A N 0.958 123.719 122.820 -0.098 0.000 1.902 142 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 142 A C 2.038 179.613 177.584 -0.016 0.000 1.181 142 A CA 1.253 53.246 52.037 -0.074 0.000 0.623 142 A CB -0.553 18.431 19.000 -0.026 0.000 0.818 142 A HN 0.109 nan 8.150 nan 0.000 0.443 143 L N 0.381 121.596 121.223 -0.013 0.000 2.109 143 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 143 L C 2.295 179.228 176.870 0.104 0.000 1.086 143 L CA 1.740 56.627 54.840 0.079 0.000 0.760 143 L CB -0.894 41.153 42.059 -0.020 0.000 0.910 143 L HN 0.592 nan 8.230 nan 0.000 0.437 144 N N -0.908 117.809 118.700 0.029 0.000 2.166 144 N HA -0.186 4.554 4.740 -0.000 0.000 0.186 144 N C 1.538 177.124 175.510 0.127 0.000 1.019 144 N CA 1.796 54.908 53.050 0.103 0.000 0.856 144 N CB 0.222 38.736 38.487 0.045 0.000 0.993 144 N HN 0.319 nan 8.380 nan 0.000 0.426 145 T N 0.284 114.857 114.554 0.032 0.000 2.777 145 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 145 T C 1.585 176.293 174.700 0.012 0.000 1.040 145 T CA 0.879 62.968 62.100 -0.019 0.000 1.141 145 T CB -0.399 68.400 68.868 -0.115 0.000 0.868 145 T HN 0.344 nan 8.240 nan 0.000 0.444 146 H N -0.346 118.772 119.070 0.080 0.000 2.353 146 H HA -0.066 4.490 4.556 -0.000 0.000 0.300 146 H C 2.133 177.549 175.328 0.147 0.000 1.090 146 H CA 1.594 57.700 56.048 0.096 0.000 1.327 146 H CB -0.610 29.210 29.762 0.097 0.000 1.383 146 H HN 0.402 nan 8.280 nan 0.000 0.508 147 Y N 2.242 122.644 120.300 0.170 0.000 2.145 147 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 147 Y C 2.059 178.015 175.900 0.092 0.000 1.145 147 Y CA 1.397 59.567 58.100 0.118 0.000 1.148 147 Y CB -0.371 38.141 38.460 0.087 0.000 0.981 147 Y HN 0.085 nan 8.280 nan 0.000 0.507 148 N N 0.457 119.152 118.700 -0.009 0.000 2.381 148 N HA -0.140 4.600 4.740 -0.000 0.000 0.182 148 N C 0.755 176.229 175.510 -0.060 0.000 1.025 148 N CA 0.968 53.947 53.050 -0.118 0.000 0.888 148 N CB -0.412 38.059 38.487 -0.027 0.000 0.965 148 N HN 0.417 nan 8.380 nan 0.000 0.438 149 N N 0.159 118.868 118.700 0.015 0.000 2.449 149 N HA 0.060 4.800 4.740 -0.000 0.000 0.191 149 N C 0.912 176.461 175.510 0.065 0.000 1.161 149 N CA 0.507 53.581 53.050 0.040 0.000 0.863 149 N CB 0.236 38.765 38.487 0.069 0.000 0.980 149 N HN 0.316 nan 8.380 nan 0.000 0.458 150 G N -0.862 107.966 108.800 0.046 0.000 2.141 150 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.231 150 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.231 150 G C -0.288 174.759 174.900 0.245 0.000 0.984 150 G CA -0.047 45.123 45.100 0.118 0.000 0.660 150 G HN 0.163 nan 8.290 nan 0.000 0.525 151 V N 1.295 121.347 119.914 0.230 0.000 2.394 151 V HA 0.636 4.756 4.120 -0.000 0.000 0.282 151 V C 0.504 176.799 176.094 0.336 0.000 1.031 151 V CA -0.855 61.609 62.300 0.273 0.000 0.881 151 V CB 1.615 33.548 31.823 0.183 0.000 0.982 151 V HN 0.393 nan 8.190 nan 0.000 0.451 152 L N 7.208 128.650 121.223 0.364 0.000 2.278 152 L HA 0.469 4.809 4.340 -0.000 0.000 0.287 152 L C -0.452 176.547 176.870 0.215 0.000 1.072 152 L CA 0.453 55.467 54.840 0.290 0.000 0.819 152 L CB 0.419 42.604 42.059 0.210 0.000 1.176 152 L HN 0.512 nan 8.230 nan 0.000 0.435 153 L N 6.949 128.273 121.223 0.168 0.000 2.296 153 L HA 0.568 4.908 4.340 -0.000 0.000 0.286 153 L C -0.544 176.372 176.870 0.076 0.000 1.023 153 L CA -0.381 54.524 54.840 0.108 0.000 0.812 153 L CB 1.337 43.452 42.059 0.093 0.000 1.223 153 L HN 0.535 nan 8.230 nan 0.000 0.421 154 I N 2.625 123.248 120.570 0.089 0.000 2.533 154 I HA 0.791 4.961 4.170 -0.000 0.000 0.290 154 I C -0.373 175.802 176.117 0.096 0.000 1.056 154 I CA -0.391 60.959 61.300 0.084 0.000 1.057 154 I CB 2.178 40.233 38.000 0.091 0.000 1.240 154 I HN 0.716 nan 8.210 nan 0.000 0.423 155 A N 3.879 126.754 122.820 0.092 0.000 2.594 155 A HA 0.916 5.236 4.320 -0.000 0.000 0.291 155 A C -0.986 176.657 177.584 0.099 0.000 1.105 155 A CA -0.696 51.404 52.037 0.105 0.000 0.694 155 A CB 1.552 20.616 19.000 0.106 0.000 1.291 155 A HN 0.789 nan 8.150 nan 0.000 0.410 156 A N 0.140 123.029 122.820 0.115 0.000 2.409 156 A HA 0.561 4.881 4.320 -0.000 0.000 0.262 156 A C 1.228 178.861 177.584 0.083 0.000 1.113 156 A CA 0.333 52.440 52.037 0.117 0.000 0.790 156 A CB 0.106 19.193 19.000 0.144 0.000 1.046 156 A HN 2.170 nan 8.150 nan 0.000 0.496 157 A N 2.216 125.087 122.820 0.085 0.000 2.067 157 A HA 0.453 4.773 4.320 -0.000 0.000 0.219 157 A C 1.429 179.042 177.584 0.048 0.000 1.158 157 A CA 1.461 53.528 52.037 0.050 0.000 0.661 157 A CB -0.843 18.198 19.000 0.067 0.000 0.801 157 A HN 2.811 nan 8.150 nan 0.000 0.452 158 G N -1.541 107.315 108.800 0.094 0.000 2.617 158 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.686 158 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.686 158 G C -0.426 174.569 174.900 0.158 0.000 1.214 158 G CA -0.221 44.932 45.100 0.088 0.000 0.796 158 G HN 0.382 nan 8.290 nan 0.000 0.654 159 N N 0.349 119.131 118.700 0.136 0.000 2.275 159 N HA 0.407 5.147 4.740 -0.000 0.000 0.236 159 N C 1.692 177.311 175.510 0.181 0.000 1.154 159 N CA 0.304 53.484 53.050 0.217 0.000 0.866 159 N CB 0.957 39.422 38.487 -0.036 0.000 1.093 159 N HN 0.834 nan 8.380 nan 0.000 0.515 160 A N 0.701 123.591 122.820 0.117 0.000 2.206 160 A HA 0.247 4.567 4.320 -0.000 0.000 0.211 160 A C 1.833 179.481 177.584 0.107 0.000 1.158 160 A CA 0.683 52.769 52.037 0.081 0.000 0.761 160 A CB -0.537 18.477 19.000 0.023 0.000 0.801 160 A HN 0.342 nan 8.150 nan 0.000 0.473 161 G N 0.139 109.039 108.800 0.165 0.000 2.198 161 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 161 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 161 G C -0.215 174.807 174.900 0.204 0.000 1.025 161 G CA 0.947 46.171 45.100 0.207 0.000 0.769 161 G HN 0.998 nan 8.290 nan 0.000 0.507 162 D N -2.493 117.907 120.400 0.001 0.000 2.781 162 D HA 0.621 5.261 4.640 -0.000 0.000 0.295 162 D C 1.007 176.789 176.300 -0.864 0.000 1.143 162 D CA 0.154 54.002 54.000 -0.253 0.000 1.076 162 D CB 0.042 40.760 40.800 -0.137 0.000 1.444 162 D HN 0.457 nan 8.370 nan 0.000 0.567 163 S N -1.365 113.809 115.700 -0.876 0.000 2.634 163 S HA 0.201 4.671 4.470 -0.000 0.000 0.221 163 S C 0.400 174.627 174.600 -0.623 0.000 0.952 163 S CA -0.121 57.544 58.200 -0.892 0.000 0.930 163 S CB -1.186 61.623 63.200 -0.652 0.000 0.780 163 S HN 0.650 nan 8.310 nan 0.000 0.498 164 S N 1.035 116.473 115.700 -0.438 0.000 2.579 164 S HA 0.365 4.835 4.470 -0.000 0.000 0.275 164 S C -0.631 173.751 174.600 -0.363 0.000 1.345 164 S CA -0.485 57.513 58.200 -0.337 0.000 1.031 164 S CB -0.281 62.825 63.200 -0.157 0.000 0.892 164 S HN 0.349 nan 8.310 nan 0.000 0.529 165 Y N 1.119 121.323 120.300 -0.160 0.000 2.327 165 Y HA 0.428 4.978 4.550 -0.000 0.000 0.336 165 Y C 0.838 176.505 175.900 -0.389 0.000 1.035 165 Y CA -0.387 57.520 58.100 -0.320 0.000 1.165 165 Y CB 1.102 39.344 38.460 -0.363 0.000 1.181 165 Y HN 0.675 nan 8.280 nan 0.000 0.494 166 S N 3.228 118.754 115.700 -0.290 0.000 2.509 166 S HA 0.571 5.041 4.470 -0.000 0.000 0.297 166 S C -1.278 173.023 174.600 -0.498 0.000 1.118 166 S CA -0.690 57.375 58.200 -0.225 0.000 1.074 166 S CB 0.482 63.633 63.200 -0.082 0.000 1.038 166 S HN 0.428 nan 8.310 nan 0.000 0.498 167 Y N 2.404 122.647 120.300 -0.095 0.000 2.509 167 Y HA 0.386 4.936 4.550 -0.000 0.000 0.341 167 Y C -1.465 174.420 175.900 -0.024 0.000 1.038 167 Y CA -2.134 55.849 58.100 -0.195 0.000 1.089 167 Y CB 1.071 39.306 38.460 -0.375 0.000 1.241 167 Y HN 0.449 nan 8.280 nan 0.000 0.468 168 P HA -0.106 nan 4.420 nan 0.000 0.233 168 P C 0.926 178.288 177.300 0.103 0.000 1.167 168 P CA 1.324 64.585 63.100 0.268 0.000 0.770 168 P CB 0.102 32.016 31.700 0.357 0.000 0.837 169 A N 0.940 123.754 122.820 -0.011 0.000 1.958 169 A HA -0.166 4.154 4.320 -0.000 0.000 0.221 169 A C 2.255 179.764 177.584 -0.126 0.000 1.178 169 A CA 2.058 54.070 52.037 -0.041 0.000 0.642 169 A CB -1.504 17.472 19.000 -0.040 0.000 0.816 169 A HN 0.255 nan 8.150 nan 0.000 0.453 170 S N -1.434 114.035 115.700 -0.386 0.000 2.650 170 S HA 0.196 4.665 4.470 -0.000 0.000 0.219 170 S C -0.102 174.347 174.600 -0.251 0.000 0.960 170 S CA -0.241 57.685 58.200 -0.455 0.000 0.925 170 S CB -0.398 62.256 63.200 -0.909 0.000 0.775 170 S HN 0.560 nan 8.310 nan 0.000 0.525 171 Y N 1.455 121.778 120.300 0.039 0.000 2.301 171 Y HA 0.141 4.691 4.550 -0.000 0.000 0.325 171 Y C 1.254 177.142 175.900 -0.020 0.000 1.203 171 Y CA -1.004 57.138 58.100 0.070 0.000 1.255 171 Y CB 0.571 39.088 38.460 0.096 0.000 1.232 171 Y HN 0.014 nan 8.280 nan 0.000 0.501 172 D N -0.008 120.481 120.400 0.147 0.000 2.263 172 D HA -0.144 4.496 4.640 -0.000 0.000 0.208 172 D C 1.830 178.077 176.300 -0.088 0.000 0.971 172 D CA 1.536 55.554 54.000 0.029 0.000 0.867 172 D CB -0.116 40.708 40.800 0.039 0.000 0.929 172 D HN 0.514 nan 8.370 nan 0.000 0.492 173 S N -0.780 114.864 115.700 -0.093 0.000 2.603 173 S HA 0.107 4.577 4.470 -0.000 0.000 0.220 173 S C 0.660 175.029 174.600 -0.385 0.000 0.967 173 S CA -0.341 57.644 58.200 -0.358 0.000 0.920 173 S CB 0.265 63.403 63.200 -0.104 0.000 0.773 173 S HN -0.096 nan 8.310 nan 0.000 0.529 174 V N 2.236 122.067 119.914 -0.138 0.000 2.680 174 V HA 0.434 4.554 4.120 -0.000 0.000 0.309 174 V C -0.203 175.864 176.094 -0.045 0.000 1.052 174 V CA -0.911 61.357 62.300 -0.053 0.000 0.908 174 V CB 1.802 33.674 31.823 0.082 0.000 1.001 174 V HN 0.405 nan 8.190 nan 0.000 0.431 175 M N 3.012 122.600 119.600 -0.021 0.000 2.146 175 M HA 0.248 4.728 4.480 -0.000 0.000 0.352 175 M C 0.336 176.656 176.300 0.033 0.000 1.343 175 M CA 0.386 55.692 55.300 0.010 0.000 1.115 175 M CB 1.111 33.729 32.600 0.029 0.000 1.657 175 M HN 0.682 nan 8.290 nan 0.000 0.471 176 S N 3.717 119.435 115.700 0.030 0.000 2.430 176 S HA 0.434 4.904 4.470 -0.000 0.000 0.289 176 S C -0.535 174.098 174.600 0.055 0.000 1.143 176 S CA -0.764 57.455 58.200 0.032 0.000 1.067 176 S CB 0.332 63.538 63.200 0.010 0.000 0.964 176 S HN 0.490 nan 8.310 nan 0.000 0.485 177 V N 5.051 125.010 119.914 0.074 0.000 2.394 177 V HA 0.708 4.828 4.120 -0.000 0.000 0.282 177 V C 0.645 176.805 176.094 0.111 0.000 1.031 177 V CA -0.647 61.710 62.300 0.095 0.000 0.881 177 V CB 0.927 32.815 31.823 0.109 0.000 0.982 177 V HN 1.015 nan 8.190 nan 0.000 0.451 178 A N 4.033 126.921 122.820 0.113 0.000 2.269 178 A HA 0.944 5.264 4.320 -0.000 0.000 0.319 178 A C 0.122 177.782 177.584 0.126 0.000 1.110 178 A CA -0.266 51.850 52.037 0.132 0.000 0.847 178 A CB 1.210 20.298 19.000 0.146 0.000 1.161 178 A HN 1.243 nan 8.150 nan 0.000 0.497 179 A N 0.072 122.949 122.820 0.095 0.000 2.324 179 A HA 0.716 5.036 4.320 -0.000 0.000 0.330 179 A C -0.128 177.442 177.584 -0.024 0.000 1.165 179 A CA -0.035 52.043 52.037 0.069 0.000 0.813 179 A CB 0.748 19.837 19.000 0.147 0.000 1.197 179 A HN 2.170 nan 8.150 nan 0.000 0.484 180 V N -0.223 119.725 119.914 0.057 0.000 3.102 180 V HA 0.832 4.952 4.120 -0.000 0.000 0.312 180 V C -0.682 175.498 176.094 0.143 0.000 1.135 180 V CA -0.764 61.570 62.300 0.056 0.000 1.022 180 V CB 1.850 33.742 31.823 0.116 0.000 1.056 180 V HN 0.969 nan 8.190 nan 0.000 0.436 181 D N 0.646 121.067 120.400 0.036 0.000 2.564 181 D HA 0.338 4.978 4.640 -0.000 0.000 0.273 181 D C 1.217 177.211 176.300 -0.510 0.000 1.192 181 D CA 0.080 54.035 54.000 -0.076 0.000 1.080 181 D CB 0.879 41.596 40.800 -0.138 0.000 1.160 181 D HN 0.868 nan 8.370 nan 0.000 0.607 182 S N -1.535 113.418 115.700 -1.246 0.000 2.595 182 S HA -0.129 4.341 4.470 -0.000 0.000 0.235 182 S C 0.851 175.144 174.600 -0.513 0.000 0.974 182 S CA 0.553 57.706 58.200 -1.744 0.000 0.942 182 S CB -0.798 61.151 63.200 -2.086 0.000 0.766 182 S HN 0.534 nan 8.310 nan 0.000 0.536 183 N N 0.678 119.233 118.700 -0.242 0.000 2.177 183 N HA 0.325 5.065 4.740 -0.000 0.000 0.218 183 N C 0.346 175.884 175.510 0.046 0.000 1.182 183 N CA -0.092 52.941 53.050 -0.028 0.000 0.882 183 N CB -0.271 38.180 38.487 -0.061 0.000 1.052 183 N HN 0.383 nan 8.380 nan 0.000 0.519 184 L N -0.669 120.595 121.223 0.068 0.000 4.560 184 L HA -0.228 4.112 4.340 -0.000 0.000 0.415 184 L C -1.011 175.895 176.870 0.060 0.000 1.123 184 L CA 0.492 55.403 54.840 0.118 0.000 0.991 184 L CB -1.480 40.667 42.059 0.147 0.000 2.127 184 L HN 0.278 nan 8.230 nan 0.000 0.765 185 D N 0.095 120.502 120.400 0.012 0.000 2.304 185 D HA 0.106 4.746 4.640 -0.000 0.000 0.250 185 D C 0.535 176.839 176.300 0.008 0.000 1.107 185 D CA -0.157 53.846 54.000 0.006 0.000 0.885 185 D CB 0.794 41.576 40.800 -0.030 0.000 1.192 185 D HN 0.165 nan 8.370 nan 0.000 0.436 186 H N 0.930 119.957 119.070 -0.070 0.000 3.034 186 H HA 0.133 4.688 4.556 -0.000 0.000 0.324 186 H C -0.664 174.563 175.328 -0.168 0.000 1.015 186 H CA -0.430 55.557 56.048 -0.102 0.000 1.429 186 H CB 0.673 30.373 29.762 -0.103 0.000 1.429 186 H HN 0.345 nan 8.280 nan 0.000 0.585 187 A N 4.304 126.658 122.820 -0.777 0.000 2.454 187 A HA 0.350 4.670 4.320 -0.000 0.000 0.260 187 A C 1.417 178.365 177.584 -1.061 0.000 1.106 187 A CA 0.183 51.678 52.037 -0.903 0.000 0.780 187 A CB -0.032 18.213 19.000 -1.257 0.000 1.044 187 A HN 0.958 nan 8.150 nan 0.000 0.498 188 A N 2.692 125.169 122.820 -0.571 0.000 1.986 188 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 188 A C 1.563 179.048 177.584 -0.165 0.000 1.171 188 A CA 1.993 53.864 52.037 -0.275 0.000 0.640 188 A CB -0.866 18.079 19.000 -0.092 0.000 0.811 188 A HN 1.471 nan 8.150 nan 0.000 0.451 189 F N -1.407 118.521 119.950 -0.035 0.000 2.615 189 F HA 0.323 4.850 4.527 -0.000 0.000 0.297 189 F C 1.051 176.877 175.800 0.043 0.000 1.124 189 F CA 0.244 58.264 58.000 0.034 0.000 1.451 189 F CB -0.585 38.453 39.000 0.062 0.000 1.103 189 F HN 0.024 nan 8.300 nan 0.000 0.569 190 S N 1.876 117.434 115.700 -0.237 0.000 2.481 190 S HA 0.049 4.519 4.470 -0.000 0.000 0.282 190 S C 0.109 174.862 174.600 0.256 0.000 1.243 190 S CA -0.442 57.780 58.200 0.038 0.000 1.078 190 S CB -0.044 63.028 63.200 -0.213 0.000 0.916 190 S HN 0.454 nan 8.310 nan 0.000 0.495 191 Q N 3.137 123.059 119.800 0.202 0.000 2.315 191 Q HA 0.111 4.451 4.340 -0.000 0.000 0.289 191 Q C -0.921 175.150 176.000 0.120 0.000 1.044 191 Q CA 0.388 56.240 55.803 0.083 0.000 0.920 191 Q CB 0.305 29.020 28.738 -0.039 0.000 1.214 191 Q HN 0.742 nan 8.270 nan 0.000 0.392 192 Y N -0.501 119.795 120.300 -0.007 0.000 2.334 192 Y HA 0.649 5.199 4.550 -0.000 0.000 0.336 192 Y C -0.163 175.664 175.900 -0.120 0.000 0.960 192 Y CA -1.062 57.000 58.100 -0.063 0.000 1.164 192 Y CB 0.865 39.261 38.460 -0.106 0.000 1.155 192 Y HN 0.512 nan 8.280 nan 0.000 0.478 193 T N -1.474 113.035 114.554 -0.075 0.000 2.812 193 T HA 0.283 4.633 4.350 -0.000 0.000 0.294 193 T C -0.105 174.587 174.700 -0.013 0.000 1.159 193 T CA -0.639 61.373 62.100 -0.146 0.000 1.008 193 T CB 1.470 70.211 68.868 -0.211 0.000 1.289 193 T HN 0.560 nan 8.240 nan 0.000 0.514 194 D N -0.368 120.063 120.400 0.051 0.000 2.352 194 D HA 0.031 4.671 4.640 -0.000 0.000 0.232 194 D C 1.313 177.656 176.300 0.071 0.000 1.055 194 D CA 0.323 54.360 54.000 0.062 0.000 0.891 194 D CB 0.043 40.894 40.800 0.085 0.000 0.897 194 D HN 0.408 nan 8.370 nan 0.000 0.529 195 Q N 0.076 119.939 119.800 0.105 0.000 2.396 195 Q HA 0.135 4.475 4.340 -0.000 0.000 0.220 195 Q C 0.422 176.433 176.000 0.018 0.000 0.900 195 Q CA 0.030 55.869 55.803 0.060 0.000 0.925 195 Q CB 0.793 29.572 28.738 0.067 0.000 1.065 195 Q HN 0.207 nan 8.270 nan 0.000 0.535 196 V N 2.681 122.601 119.914 0.010 0.000 2.584 196 V HA -0.149 3.971 4.120 -0.000 0.000 0.303 196 V C 1.414 177.488 176.094 -0.033 0.000 1.035 196 V CA 1.118 63.419 62.300 0.002 0.000 1.172 196 V CB 0.532 32.361 31.823 0.009 0.000 0.896 196 V HN 0.364 nan 8.190 nan 0.000 0.486 197 E N 4.335 124.538 120.200 0.005 0.000 2.391 197 E HA 0.369 4.719 4.350 -0.000 0.000 0.206 197 E C 0.263 176.920 176.600 0.095 0.000 0.851 197 E CA -0.098 56.321 56.400 0.030 0.000 1.059 197 E CB 0.850 30.604 29.700 0.089 0.000 1.065 197 E HN 0.671 nan 8.360 nan 0.000 0.512 198 I N -0.049 120.573 120.570 0.087 0.000 3.004 198 I HA 0.279 4.449 4.170 -0.000 0.000 0.305 198 I C -1.540 174.634 176.117 0.094 0.000 1.312 198 I CA -0.636 60.729 61.300 0.108 0.000 0.992 198 I CB 2.350 40.420 38.000 0.117 0.000 1.282 198 I HN -0.112 nan 8.210 nan 0.000 0.449 199 S N 1.979 117.738 115.700 0.099 0.000 2.607 199 S HA 0.945 5.415 4.470 -0.000 0.000 0.303 199 S C -0.411 174.248 174.600 0.098 0.000 1.086 199 S CA -0.471 57.790 58.200 0.102 0.000 0.995 199 S CB 1.864 65.128 63.200 0.107 0.000 1.084 199 S HN 0.900 nan 8.310 nan 0.000 0.507 200 G N 0.777 109.629 108.800 0.087 0.000 2.695 200 G HA2 0.635 4.595 3.960 -0.000 0.000 0.290 200 G HA3 0.635 4.595 3.960 -0.000 0.000 0.290 200 G C -3.514 171.362 174.900 -0.040 0.000 1.410 200 G CA -1.641 43.478 45.100 0.031 0.000 0.844 200 G HN 0.374 nan 8.290 nan 0.000 0.478 201 P HA 0.223 nan 4.420 nan 0.000 0.262 201 P C 0.629 177.827 177.300 -0.170 0.000 1.199 201 P CA 0.589 63.417 63.100 -0.452 0.000 0.763 201 P CB 1.089 31.880 31.700 -1.515 0.000 0.790 202 G N 2.004 110.887 108.800 0.138 0.000 3.815 202 G HA2 0.108 4.068 3.960 -0.000 0.000 0.265 202 G HA3 0.108 4.068 3.960 -0.000 0.000 0.265 202 G C -0.198 174.930 174.900 0.380 0.000 1.026 202 G CA 0.120 45.372 45.100 0.253 0.000 0.868 202 G HN 0.425 nan 8.290 nan 0.000 0.476 203 E N 0.720 121.159 120.200 0.400 0.000 2.199 203 E HA 0.577 4.927 4.350 -0.000 0.000 0.265 203 E C 0.252 177.110 176.600 0.431 0.000 0.882 203 E CA 0.003 56.628 56.400 0.375 0.000 0.759 203 E CB 1.351 31.194 29.700 0.239 0.000 1.148 203 E HN 0.918 nan 8.360 nan 0.000 0.412 204 A N 4.934 127.972 122.820 0.363 0.000 2.475 204 A HA -0.131 4.189 4.320 -0.000 0.000 0.295 204 A C -0.525 177.451 177.584 0.653 0.000 1.457 204 A CA 0.580 52.896 52.037 0.465 0.000 0.734 204 A CB -1.830 17.340 19.000 0.283 0.000 1.118 204 A HN 0.398 nan 8.150 nan 0.000 0.400 205 I N 1.213 122.048 120.570 0.442 0.000 2.307 205 I HA 0.374 4.544 4.170 -0.000 0.000 0.289 205 I C 0.286 176.433 176.117 0.049 0.000 1.021 205 I CA -0.815 60.612 61.300 0.211 0.000 1.224 205 I CB 1.059 39.192 38.000 0.221 0.000 1.376 205 I HN 0.550 nan 8.210 nan 0.000 0.470 206 L N 6.665 127.688 121.223 -0.333 0.000 2.331 206 L HA 0.546 4.886 4.340 -0.000 0.000 0.278 206 L C 0.173 176.770 176.870 -0.456 0.000 1.106 206 L CA 0.996 55.441 54.840 -0.660 0.000 0.824 206 L CB 1.073 42.576 42.059 -0.926 0.000 1.142 206 L HN 0.710 nan 8.230 nan 0.000 0.443 207 S N 1.590 116.966 115.700 -0.540 0.000 2.727 207 S HA 0.630 5.100 4.470 -0.000 0.000 0.278 207 S C -0.872 173.478 174.600 -0.417 0.000 1.186 207 S CA -0.100 57.698 58.200 -0.670 0.000 0.836 207 S CB 1.025 63.410 63.200 -1.358 0.000 1.186 207 S HN 0.905 nan 8.310 nan 0.000 0.499 208 T N 0.461 114.761 114.554 -0.424 0.000 2.918 208 T HA 0.603 4.953 4.350 -0.000 0.000 0.302 208 T C 0.309 174.755 174.700 -0.424 0.000 1.045 208 T CA -0.103 61.702 62.100 -0.492 0.000 1.114 208 T CB 0.399 68.760 68.868 -0.845 0.000 0.965 208 T HN 1.305 nan 8.240 nan 0.000 0.540 209 V N -1.104 118.633 119.914 -0.295 0.000 3.160 209 V HA 0.672 4.792 4.120 -0.000 0.000 0.310 209 V C 0.097 176.160 176.094 -0.052 0.000 1.181 209 V CA -1.364 60.858 62.300 -0.131 0.000 1.047 209 V CB 1.224 33.031 31.823 -0.027 0.000 1.068 209 V HN 0.977 nan 8.190 nan 0.000 0.441 210 T N 1.968 116.518 114.554 -0.007 0.000 2.891 210 T HA 0.173 4.523 4.350 -0.000 0.000 0.296 210 T C 0.379 175.075 174.700 -0.007 0.000 1.025 210 T CA 0.166 62.271 62.100 0.009 0.000 1.149 210 T CB 0.205 69.087 68.868 0.023 0.000 1.007 210 T HN 0.846 nan 8.240 nan 0.000 0.528 211 V N 4.211 124.108 119.914 -0.028 0.000 2.625 211 V HA 0.192 4.312 4.120 -0.000 0.000 0.305 211 V C 1.745 177.801 176.094 -0.063 0.000 1.055 211 V CA 1.558 63.798 62.300 -0.100 0.000 1.209 211 V CB -0.347 31.397 31.823 -0.130 0.000 0.877 211 V HN 1.293 nan 8.190 nan 0.000 0.489 212 G N 3.693 112.453 108.800 -0.067 0.000 2.205 212 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.261 212 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.261 212 G C 0.542 175.444 174.900 0.003 0.000 0.980 212 G CA 0.465 45.548 45.100 -0.028 0.000 0.632 212 G HN 0.732 nan 8.290 nan 0.000 0.533 213 E N 0.427 120.634 120.200 0.012 0.000 2.472 213 E HA 0.305 4.655 4.350 -0.000 0.000 0.196 213 E C 1.768 178.411 176.600 0.072 0.000 1.033 213 E CA 0.155 56.580 56.400 0.043 0.000 0.886 213 E CB 0.438 30.168 29.700 0.051 0.000 0.944 213 E HN 0.532 nan 8.360 nan 0.000 0.492 214 G N 1.166 110.005 108.800 0.065 0.000 2.588 214 G HA2 0.350 4.310 3.960 -0.000 0.000 0.281 214 G HA3 0.350 4.310 3.960 -0.000 0.000 0.281 214 G C -0.384 174.593 174.900 0.129 0.000 1.236 214 G CA -0.407 44.759 45.100 0.110 0.000 0.969 214 G HN -0.002 nan 8.290 nan 0.000 0.504 215 R N -0.666 119.939 120.500 0.175 0.000 2.584 215 R HA 0.580 4.920 4.340 -0.000 0.000 0.276 215 R C -1.565 174.877 176.300 0.237 0.000 1.046 215 R CA -0.589 55.617 56.100 0.175 0.000 0.906 215 R CB 1.400 31.793 30.300 0.155 0.000 1.215 215 R HN 0.456 nan 8.270 nan 0.000 0.449 216 L N 1.882 123.246 121.223 0.234 0.000 2.409 216 L HA 0.840 5.179 4.340 -0.000 0.000 0.255 216 L C -0.772 176.246 176.870 0.248 0.000 1.027 216 L CA -1.058 53.971 54.840 0.315 0.000 0.834 216 L CB 2.296 44.600 42.059 0.407 0.000 1.426 216 L HN 0.801 nan 8.230 nan 0.000 0.411 217 A N 0.311 123.290 122.820 0.265 0.000 2.386 217 A HA 0.855 5.175 4.320 -0.000 0.000 0.308 217 A C -1.770 175.963 177.584 0.247 0.000 1.128 217 A CA -0.315 51.824 52.037 0.170 0.000 0.789 217 A CB 1.954 20.986 19.000 0.053 0.000 1.325 217 A HN 0.663 nan 8.150 nan 0.000 0.437 218 D N -0.700 119.807 120.400 0.177 0.000 2.654 218 D HA 0.583 5.223 4.640 -0.000 0.000 0.231 218 D C -1.653 174.731 176.300 0.140 0.000 1.239 218 D CA -0.131 54.000 54.000 0.219 0.000 0.790 218 D CB 1.399 42.333 40.800 0.223 0.000 1.480 218 D HN 0.409 nan 8.370 nan 0.000 0.442 219 I N 1.545 122.222 120.570 0.178 0.000 2.499 219 I HA 0.370 4.540 4.170 -0.000 0.000 0.288 219 I C -0.606 175.679 176.117 0.280 0.000 1.048 219 I CA -0.448 60.946 61.300 0.156 0.000 1.062 219 I CB 2.374 40.401 38.000 0.045 0.000 1.238 219 I HN 0.139 nan 8.210 nan 0.000 0.426 220 T N 6.892 121.566 114.554 0.200 0.000 2.848 220 T HA 0.692 5.042 4.350 -0.000 0.000 0.285 220 T C -0.452 174.347 174.700 0.165 0.000 0.995 220 T CA -0.411 61.796 62.100 0.178 0.000 0.970 220 T CB 1.621 70.549 68.868 0.099 0.000 0.976 220 T HN 0.276 nan 8.240 nan 0.000 0.441 221 I N 1.434 122.106 120.570 0.171 0.000 2.569 221 I HA 0.496 4.666 4.170 -0.000 0.000 0.290 221 I C 0.909 177.065 176.117 0.065 0.000 1.088 221 I CA -0.774 60.608 61.300 0.137 0.000 1.047 221 I CB 2.023 40.159 38.000 0.226 0.000 1.237 221 I HN 0.899 nan 8.210 nan 0.000 0.421 222 G N 3.896 112.722 108.800 0.044 0.000 2.225 222 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.267 222 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.267 222 G C 1.015 175.918 174.900 0.006 0.000 1.024 222 G CA 0.669 45.781 45.100 0.019 0.000 0.784 222 G HN 1.680 nan 8.290 nan 0.000 0.507 223 G N -2.329 106.479 108.800 0.013 0.000 2.184 223 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.264 223 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.264 223 G C 0.258 175.151 174.900 -0.010 0.000 0.975 223 G CA 1.122 46.224 45.100 0.004 0.000 0.642 223 G HN 1.139 nan 8.290 nan 0.000 0.536 224 Q N 0.382 120.165 119.800 -0.028 0.000 2.282 224 Q HA 0.612 4.952 4.340 -0.000 0.000 0.260 224 Q C -0.088 175.860 176.000 -0.088 0.000 0.964 224 Q CA -0.147 55.611 55.803 -0.075 0.000 0.880 224 Q CB 1.841 30.501 28.738 -0.130 0.000 1.286 224 Q HN 0.302 nan 8.270 nan 0.000 0.445 225 S N 1.447 117.109 115.700 -0.063 0.000 2.554 225 S HA 0.336 4.806 4.470 -0.000 0.000 0.278 225 S C -0.181 174.396 174.600 -0.038 0.000 1.242 225 S CA -0.277 57.934 58.200 0.019 0.000 1.051 225 S CB 0.353 63.604 63.200 0.084 0.000 0.986 225 S HN 0.535 nan 8.310 nan 0.000 0.502 226 Y N 3.675 124.033 120.300 0.096 0.000 2.468 226 Y HA 0.203 4.753 4.550 -0.000 0.000 0.268 226 Y C 1.192 177.154 175.900 0.103 0.000 1.177 226 Y CA -0.312 57.831 58.100 0.073 0.000 1.265 226 Y CB -0.234 38.243 38.460 0.029 0.000 1.103 226 Y HN 0.877 nan 8.280 nan 0.000 0.522 227 F N 0.658 120.690 119.950 0.137 0.000 2.063 227 F HA -0.359 4.168 4.527 -0.000 0.000 0.298 227 F C 2.236 178.107 175.800 0.118 0.000 1.109 227 F CA 2.115 60.184 58.000 0.115 0.000 1.212 227 F CB -0.306 38.736 39.000 0.071 0.000 0.973 227 F HN -0.130 nan 8.300 nan 0.000 0.480 228 S N -0.065 115.784 115.700 0.248 0.000 2.507 228 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 228 S C 1.312 175.961 174.600 0.081 0.000 0.988 228 S CA 1.004 59.292 58.200 0.148 0.000 0.944 228 S CB -0.540 62.761 63.200 0.167 0.000 0.762 228 S HN 0.479 nan 8.310 nan 0.000 0.526 229 N N 1.015 119.766 118.700 0.086 0.000 2.416 229 N HA 0.223 4.963 4.740 -0.000 0.000 0.177 229 N C 0.609 176.143 175.510 0.040 0.000 1.036 229 N CA 0.714 53.818 53.050 0.090 0.000 0.901 229 N CB 0.183 38.763 38.487 0.154 0.000 0.976 229 N HN 0.397 nan 8.380 nan 0.000 0.444 230 G N -0.269 108.518 108.800 -0.021 0.000 3.238 230 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.684 230 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.684 230 G C -1.254 173.549 174.900 -0.161 0.000 1.156 230 G CA -0.754 44.316 45.100 -0.050 0.000 1.048 230 G HN 0.058 nan 8.290 nan 0.000 0.462 231 V N 2.878 122.637 119.914 -0.260 0.000 2.443 231 V HA 0.604 4.724 4.120 -0.000 0.000 0.293 231 V C 0.435 176.296 176.094 -0.389 0.000 1.021 231 V CA -0.939 61.215 62.300 -0.244 0.000 0.848 231 V CB 1.866 33.632 31.823 -0.095 0.000 0.998 231 V HN 0.847 nan 8.190 nan 0.000 0.424 232 V N 7.707 127.350 119.914 -0.451 0.000 2.394 232 V HA 0.398 4.518 4.120 -0.000 0.000 0.282 232 V C -2.013 173.940 176.094 -0.233 0.000 1.031 232 V CA -1.876 60.132 62.300 -0.486 0.000 0.881 232 V CB 1.988 33.510 31.823 -0.502 0.000 0.982 232 V HN 0.699 nan 8.190 nan 0.000 0.451 233 P HA 0.102 nan 4.420 nan 0.000 0.276 233 P C -0.429 176.879 177.300 0.013 0.000 1.235 233 P CA -0.261 62.824 63.100 -0.026 0.000 0.772 233 P CB 0.419 32.158 31.700 0.064 0.000 0.871 234 H N 2.382 121.436 119.070 -0.026 0.000 3.070 234 H HA -0.034 4.522 4.556 -0.000 0.000 0.313 234 H C 0.936 176.250 175.328 -0.024 0.000 0.997 234 H CA 0.663 56.691 56.048 -0.034 0.000 1.438 234 H CB -0.398 29.350 29.762 -0.024 0.000 1.455 234 H HN 0.465 nan 8.280 nan 0.000 0.575 235 N N 4.287 123.038 118.700 0.086 0.000 2.739 235 N HA -0.010 4.730 4.740 -0.000 0.000 0.266 235 N C 0.059 175.582 175.510 0.023 0.000 1.168 235 N CA -0.337 52.721 53.050 0.014 0.000 1.055 235 N CB 0.223 38.638 38.487 -0.121 0.000 1.393 235 N HN 0.414 nan 8.380 nan 0.000 0.514 236 R N 3.646 124.166 120.500 0.033 0.000 2.389 236 R HA 0.274 4.614 4.340 -0.000 0.000 0.295 236 R C -0.859 175.449 176.300 0.014 0.000 1.075 236 R CA -0.050 56.051 56.100 0.002 0.000 1.005 236 R CB 0.576 30.886 30.300 0.015 0.000 0.987 236 R HN 0.440 nan 8.270 nan 0.000 0.452 237 L N 3.797 125.003 121.223 -0.028 0.000 2.386 237 L HA 0.494 4.834 4.340 -0.000 0.000 0.271 237 L C -0.275 176.613 176.870 0.031 0.000 0.993 237 L CA -0.942 53.889 54.840 -0.015 0.000 0.819 237 L CB 2.285 44.270 42.059 -0.123 0.000 1.294 237 L HN 0.806 nan 8.230 nan 0.000 0.414 238 T N -0.861 113.790 114.554 0.162 0.000 2.907 238 T HA 0.584 4.934 4.350 -0.000 0.000 0.292 238 T C -2.873 172.014 174.700 0.311 0.000 1.043 238 T CA -2.379 59.860 62.100 0.232 0.000 1.003 238 T CB 1.993 70.923 68.868 0.102 0.000 1.084 238 T HN 0.292 nan 8.240 nan 0.000 0.483 239 P HA 0.163 nan 4.420 nan 0.000 0.262 239 P C -0.482 176.738 177.300 -0.133 0.000 1.182 239 P CA 0.105 63.065 63.100 -0.234 0.000 0.761 239 P CB 0.659 32.231 31.700 -0.214 0.000 0.795 240 S N 2.438 118.027 115.700 -0.186 0.000 2.496 240 S HA 0.542 5.011 4.470 -0.000 0.000 0.221 240 S C 0.508 175.037 174.600 -0.118 0.000 1.260 240 S CA 0.407 58.546 58.200 -0.101 0.000 1.181 240 S CB -0.504 62.667 63.200 -0.049 0.000 1.136 240 S HN 0.920 nan 8.310 nan 0.000 0.467 241 G N 3.396 112.131 108.800 -0.108 0.000 2.559 241 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.282 241 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.282 241 G C 0.911 175.737 174.900 -0.123 0.000 1.177 241 G CA 0.647 45.690 45.100 -0.094 0.000 0.960 241 G HN 1.195 nan 8.290 nan 0.000 0.540 242 T N 0.745 115.230 114.554 -0.114 0.000 3.086 242 T HA 0.583 4.933 4.350 -0.000 0.000 0.250 242 T C 1.134 175.737 174.700 -0.162 0.000 1.074 242 T CA 1.756 63.784 62.100 -0.119 0.000 0.988 242 T CB -0.697 68.125 68.868 -0.076 0.000 0.988 242 T HN 1.729 nan 8.240 nan 0.000 0.530 243 S N -1.028 114.546 115.700 -0.210 0.000 3.952 243 S HA 0.674 5.143 4.470 -0.000 0.000 0.293 243 S C -1.495 172.841 174.600 -0.440 0.000 1.090 243 S CA -0.792 57.258 58.200 -0.249 0.000 1.264 243 S CB 0.958 64.101 63.200 -0.094 0.000 1.393 243 S HN 0.177 nan 8.310 nan 0.000 0.757 244 Y N 0.243 120.489 120.300 -0.089 0.000 2.570 244 Y HA 0.841 5.391 4.550 0.000 0.000 0.345 244 Y C 0.126 175.977 175.900 -0.081 0.000 1.014 244 Y CA -0.333 57.712 58.100 -0.091 0.000 1.063 244 Y CB 2.241 40.621 38.460 -0.132 0.000 1.272 244 Y HN 1.074 nan 8.280 nan 0.000 0.477 245 A N 2.297 125.192 122.820 0.126 0.000 2.498 245 A HA 0.740 5.060 4.320 -0.000 0.000 0.298 245 A C -3.040 174.581 177.584 0.062 0.000 1.075 245 A CA -2.052 50.019 52.037 0.058 0.000 0.714 245 A CB 1.519 20.536 19.000 0.027 0.000 1.299 245 A HN 0.401 nan 8.150 nan 0.000 0.407 246 P HA 0.313 nan 4.420 nan 0.000 0.267 246 P C -0.334 176.992 177.300 0.044 0.000 1.209 246 P CA 0.410 63.538 63.100 0.048 0.000 0.763 246 P CB 1.110 32.837 31.700 0.044 0.000 0.816 247 A N 5.680 128.527 122.820 0.045 0.000 3.258 247 A HA 0.429 4.749 4.320 -0.000 0.000 0.318 247 A C -2.324 175.284 177.584 0.041 0.000 0.990 247 A CA -1.419 50.642 52.037 0.040 0.000 0.885 247 A CB 0.364 19.388 19.000 0.041 0.000 1.090 247 A HN 0.352 nan 8.150 nan 0.000 0.479 248 P HA 0.185 nan 4.420 nan 0.000 0.271 248 P C -0.469 176.860 177.300 0.049 0.000 1.216 248 P CA 0.125 63.256 63.100 0.052 0.000 0.776 248 P CB 1.136 32.871 31.700 0.058 0.000 0.881 249 I N 3.709 124.311 120.570 0.053 0.000 2.306 249 I HA 0.182 4.352 4.170 -0.000 0.000 0.288 249 I C 0.357 176.503 176.117 0.049 0.000 1.036 249 I CA -0.348 60.980 61.300 0.047 0.000 1.221 249 I CB -0.211 37.817 38.000 0.046 0.000 1.385 249 I HN 0.208 nan 8.210 nan 0.000 0.472 250 N N 6.530 125.257 118.700 0.045 0.000 2.546 250 N HA 0.695 5.435 4.740 -0.000 0.000 0.238 250 N C -0.298 175.236 175.510 0.040 0.000 0.984 250 N CA -0.101 52.978 53.050 0.047 0.000 0.935 250 N CB 2.174 40.691 38.487 0.049 0.000 1.122 250 N HN 0.731 nan 8.380 nan 0.000 0.510 251 A N 0.643 123.486 122.820 0.039 0.000 2.536 251 A HA 0.712 5.032 4.320 -0.000 0.000 0.293 251 A C -1.165 176.439 177.584 0.034 0.000 1.119 251 A CA -0.619 51.438 52.037 0.033 0.000 0.654 251 A CB 1.348 20.365 19.000 0.028 0.000 1.291 251 A HN 0.284 nan 8.150 nan 0.000 0.439 252 S N -0.937 114.780 115.700 0.029 0.000 2.526 252 S HA 0.805 5.275 4.470 -0.000 0.000 0.293 252 S C -0.620 173.994 174.600 0.024 0.000 1.092 252 S CA 0.247 58.464 58.200 0.030 0.000 0.980 252 S CB 1.358 64.576 63.200 0.030 0.000 1.048 252 S HN 2.229 nan 8.310 nan 0.000 0.483 253 A N 3.069 125.903 122.820 0.023 0.000 2.449 253 A HA 0.797 5.117 4.320 -0.000 0.000 0.302 253 A C -0.663 176.933 177.584 0.020 0.000 1.048 253 A CA -0.628 51.421 52.037 0.019 0.000 0.708 253 A CB 1.807 20.817 19.000 0.016 0.000 1.274 253 A HN 0.673 nan 8.150 nan 0.000 0.410 254 T N 0.755 115.320 114.554 0.018 0.000 2.848 254 T HA 0.806 5.156 4.350 -0.000 0.000 0.285 254 T C 0.000 174.710 174.700 0.016 0.000 0.995 254 T CA 0.061 62.172 62.100 0.019 0.000 0.970 254 T CB 1.743 70.623 68.868 0.021 0.000 0.976 254 T HN 1.697 nan 8.240 nan 0.000 0.441 255 G N 0.861 109.671 108.800 0.016 0.000 2.523 255 G HA2 0.632 4.592 3.960 -0.000 0.000 0.291 255 G HA3 0.632 4.592 3.960 -0.000 0.000 0.291 255 G C -1.197 173.711 174.900 0.013 0.000 1.450 255 G CA -0.469 44.639 45.100 0.013 0.000 0.790 255 G HN 0.891 nan 8.290 nan 0.000 0.496 256 A N -0.306 122.522 122.820 0.012 0.000 2.511 256 A HA 0.526 4.846 4.320 -0.000 0.000 0.242 256 A C 0.197 177.787 177.584 0.010 0.000 1.069 256 A CA -0.039 52.005 52.037 0.012 0.000 0.763 256 A CB 0.573 19.580 19.000 0.012 0.000 1.001 256 A HN 1.500 nan 8.150 nan 0.000 0.498 257 L N 2.323 123.551 121.223 0.008 0.000 2.367 257 L HA 0.559 4.899 4.340 -0.000 0.000 0.275 257 L C 0.341 177.214 176.870 0.006 0.000 1.129 257 L CA 0.875 55.716 54.840 0.002 0.000 0.839 257 L CB 0.719 42.773 42.059 -0.008 0.000 1.133 257 L HN 0.890 nan 8.230 nan 0.000 0.453 258 A N 4.624 127.450 122.820 0.010 0.000 2.486 258 A HA 0.611 4.931 4.320 -0.000 0.000 0.300 258 A C -1.083 176.518 177.584 0.030 0.000 1.048 258 A CA -0.662 51.386 52.037 0.018 0.000 0.696 258 A CB 1.147 20.158 19.000 0.017 0.000 1.278 258 A HN 0.702 nan 8.150 nan 0.000 0.405 259 E N 0.993 121.217 120.200 0.041 0.000 2.166 259 E HA 0.439 4.789 4.350 -0.000 0.000 0.275 259 E C -0.692 175.952 176.600 0.073 0.000 0.941 259 E CA -0.542 55.900 56.400 0.069 0.000 0.784 259 E CB 1.340 31.091 29.700 0.085 0.000 1.115 259 E HN 0.776 nan 8.360 nan 0.000 0.399 260 c N 4.342 122.994 118.600 0.088 0.000 2.499 260 c HA 0.319 4.889 4.570 -0.000 0.000 0.386 260 c C 0.257 174.418 174.090 0.119 0.000 1.293 260 c CA -0.195 56.193 56.329 0.098 0.000 1.884 260 c CB -0.502 42.069 42.510 0.101 0.000 2.509 260 c HN 0.731 nan 8.230 nan 0.000 0.566 261 T N 6.046 120.661 114.554 0.102 0.000 2.779 261 T HA 0.328 4.678 4.350 -0.000 0.000 0.296 261 T C -0.074 174.665 174.700 0.065 0.000 0.938 261 T CA -0.088 62.057 62.100 0.075 0.000 1.119 261 T CB 0.567 69.465 68.868 0.048 0.000 0.891 261 T HN 0.592 nan 8.240 nan 0.000 0.526 262 V N 4.920 124.839 119.914 0.010 0.000 2.398 262 V HA 0.465 4.585 4.120 -0.000 0.000 0.286 262 V C 0.132 176.151 176.094 -0.125 0.000 1.026 262 V CA -0.906 61.327 62.300 -0.113 0.000 0.868 262 V CB 1.589 33.325 31.823 -0.145 0.000 0.982 262 V HN 0.787 nan 8.190 nan 0.000 0.443 263 N N 3.614 122.209 118.700 -0.176 0.000 2.576 263 N HA 0.460 5.200 4.740 -0.000 0.000 0.269 263 N C 0.441 175.852 175.510 -0.166 0.000 1.058 263 N CA 0.838 53.811 53.050 -0.128 0.000 0.860 263 N CB 1.660 40.095 38.487 -0.086 0.000 1.249 263 N HN 0.919 nan 8.380 nan 0.000 0.525 264 G N 2.916 111.627 108.800 -0.150 0.000 2.596 264 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.304 264 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.304 264 G C 0.663 175.430 174.900 -0.222 0.000 1.189 264 G CA 1.096 46.107 45.100 -0.148 0.000 0.986 264 G HN 0.824 nan 8.290 nan 0.000 0.548 265 T N -1.640 112.788 114.554 -0.209 0.000 3.122 265 T HA 0.601 4.951 4.350 -0.000 0.000 0.250 265 T C 0.732 175.214 174.700 -0.364 0.000 1.067 265 T CA 1.062 63.009 62.100 -0.255 0.000 0.966 265 T CB 0.250 69.038 68.868 -0.133 0.000 1.002 265 T HN 0.756 nan 8.240 nan 0.000 0.542 266 S N 0.921 116.397 115.700 -0.374 0.000 2.593 266 S HA 0.744 5.214 4.470 -0.000 0.000 0.297 266 S C -1.029 173.285 174.600 -0.477 0.000 1.112 266 S CA -0.682 57.328 58.200 -0.316 0.000 1.043 266 S CB 0.750 63.871 63.200 -0.131 0.000 1.054 266 S HN 0.331 nan 8.310 nan 0.000 0.516 267 F N 1.107 121.047 119.950 -0.016 0.000 2.508 267 F HA 0.589 5.116 4.527 -0.000 0.000 0.325 267 F C 0.670 176.465 175.800 -0.008 0.000 1.090 267 F CA -0.648 57.343 58.000 -0.015 0.000 0.945 267 F CB 1.978 40.969 39.000 -0.015 0.000 1.156 267 F HN 0.483 nan 8.300 nan 0.000 0.463 268 S N 1.477 117.290 115.700 0.188 0.000 2.312 268 S HA 0.283 4.753 4.470 -0.000 0.000 0.173 268 S C 0.038 174.697 174.600 0.098 0.000 1.488 268 S CA -0.503 57.761 58.200 0.106 0.000 1.239 268 S CB -0.104 63.131 63.200 0.059 0.000 1.215 268 S HN 0.807 nan 8.310 nan 0.000 0.438 269 c N 2.429 121.084 118.600 0.091 0.000 2.495 269 c HA 0.446 5.015 4.570 -0.000 0.000 0.275 269 c C 2.072 176.185 174.090 0.038 0.000 1.392 269 c CA 0.416 56.781 56.329 0.060 0.000 1.766 269 c CB -1.636 40.890 42.510 0.027 0.000 1.933 269 c HN 1.116 nan 8.230 nan 0.000 0.519 270 G N 1.408 110.228 108.800 0.034 0.000 2.574 270 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.286 270 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.286 270 G C -0.237 174.673 174.900 0.017 0.000 1.212 270 G CA 0.449 45.564 45.100 0.024 0.000 0.979 270 G HN 0.596 nan 8.290 nan 0.000 0.557 271 N N 0.569 119.278 118.700 0.015 0.000 2.422 271 N HA 0.595 5.335 4.740 -0.000 0.000 0.266 271 N C 0.943 176.458 175.510 0.010 0.000 1.007 271 N CA -0.408 52.648 53.050 0.010 0.000 0.941 271 N CB 0.607 39.100 38.487 0.010 0.000 1.115 271 N HN 0.367 nan 8.380 nan 0.000 0.492 272 M N 1.810 121.413 119.600 0.006 0.000 2.347 272 M HA 0.304 4.784 4.480 -0.000 0.000 0.302 272 M C 0.050 176.352 176.300 0.004 0.000 1.051 272 M CA -0.366 54.937 55.300 0.005 0.000 0.988 272 M CB -0.408 32.192 32.600 0.000 0.000 1.475 272 M HN 0.574 nan 8.290 nan 0.000 0.530 273 A N 1.459 124.282 122.820 0.004 0.000 2.548 273 A HA 0.173 4.493 4.320 -0.000 0.000 0.247 273 A C 0.873 178.460 177.584 0.005 0.000 1.067 273 A CA 0.577 52.616 52.037 0.004 0.000 0.757 273 A CB -0.561 18.442 19.000 0.004 0.000 0.996 273 A HN 0.798 nan 8.150 nan 0.000 0.504 274 N N -0.470 118.233 118.700 0.006 0.000 2.800 274 N HA -0.139 4.601 4.740 -0.000 0.000 0.250 274 N C -0.503 175.011 175.510 0.008 0.000 1.078 274 N CA 1.172 54.226 53.050 0.007 0.000 0.804 274 N CB -0.518 37.974 38.487 0.007 0.000 1.135 274 N HN 0.675 nan 8.380 nan 0.000 0.565 275 K N 0.629 121.034 120.400 0.007 0.000 2.281 275 K HA 0.470 4.790 4.320 -0.000 0.000 0.242 275 K C -0.101 176.503 176.600 0.006 0.000 0.971 275 K CA -0.723 55.569 56.287 0.007 0.000 0.834 275 K CB 1.650 34.155 32.500 0.008 0.000 1.181 275 K HN -0.041 nan 8.250 nan 0.000 0.435 276 I N 1.408 121.981 120.570 0.006 0.000 2.304 276 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 276 I C 0.249 176.368 176.117 0.003 0.000 1.018 276 I CA -0.792 60.509 61.300 0.002 0.000 1.260 276 I CB 0.782 38.781 38.000 -0.002 0.000 1.390 276 I HN 0.473 nan 8.210 nan 0.000 0.475 277 c N 8.535 127.137 118.600 0.005 0.000 2.303 277 c HA 0.461 5.031 4.570 -0.000 0.000 0.341 277 c C 0.098 174.203 174.090 0.025 0.000 1.244 277 c CA -0.600 55.737 56.329 0.013 0.000 1.765 277 c CB -0.326 42.187 42.510 0.005 0.000 2.379 277 c HN 0.619 nan 8.230 nan 0.000 0.530 278 L N 7.299 128.550 121.223 0.046 0.000 2.276 278 L HA 0.779 5.119 4.340 -0.000 0.000 0.286 278 L C -0.357 176.605 176.870 0.153 0.000 1.061 278 L CA 0.433 55.331 54.840 0.097 0.000 0.807 278 L CB 1.383 43.487 42.059 0.075 0.000 1.177 278 L HN 0.558 nan 8.230 nan 0.000 0.429 279 V N 5.290 125.305 119.914 0.169 0.000 2.851 279 V HA 0.386 4.506 4.120 -0.000 0.000 0.307 279 V C -0.643 175.332 176.094 -0.199 0.000 1.129 279 V CA -0.648 61.696 62.300 0.072 0.000 0.932 279 V CB 2.058 33.910 31.823 0.050 0.000 1.024 279 V HN 0.915 nan 8.190 nan 0.000 0.426 280 E N 5.191 125.113 120.200 -0.463 0.000 2.360 280 E HA 0.251 4.600 4.350 -0.000 0.000 0.269 280 E C 0.132 176.539 176.600 -0.322 0.000 1.022 280 E CA -0.534 55.328 56.400 -0.896 0.000 0.887 280 E CB 0.713 29.996 29.700 -0.696 0.000 0.990 280 E HN 0.676 nan 8.360 nan 0.000 0.426 281 R N 3.260 123.589 120.500 -0.286 0.000 2.489 281 R HA 0.116 4.456 4.340 -0.000 0.000 0.287 281 R C -1.139 175.128 176.300 -0.055 0.000 1.053 281 R CA -0.302 55.746 56.100 -0.087 0.000 1.036 281 R CB 0.585 30.845 30.300 -0.067 0.000 0.966 281 R HN 0.282 nan 8.270 nan 0.000 0.432 282 V N 5.415 125.351 119.914 0.037 0.000 2.370 282 V HA 0.518 4.638 4.120 -0.000 0.000 0.283 282 V C 0.667 176.765 176.094 0.007 0.000 1.023 282 V CA 0.563 62.859 62.300 -0.005 0.000 0.857 282 V CB 0.713 32.535 31.823 -0.003 0.000 0.985 282 V HN 1.160 nan 8.190 nan 0.000 0.443 283 G N 5.421 114.204 108.800 -0.029 0.000 2.796 283 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.571 283 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.571 283 G C -0.817 174.070 174.900 -0.021 0.000 1.370 283 G CA -0.256 44.829 45.100 -0.024 0.000 0.856 283 G HN 0.823 nan 8.290 nan 0.000 0.538 284 N N -0.881 117.804 118.700 -0.026 0.000 2.396 284 N HA 0.462 5.201 4.740 -0.000 0.000 0.275 284 N C -0.411 175.080 175.510 -0.031 0.000 1.218 284 N CA -0.708 52.329 53.050 -0.021 0.000 0.812 284 N CB 1.950 40.419 38.487 -0.030 0.000 1.592 284 N HN 0.905 nan 8.380 nan 0.000 0.480 285 Q N 0.561 120.358 119.800 -0.005 0.000 2.361 285 Q HA 0.408 4.748 4.340 -0.000 0.000 0.276 285 Q C 0.069 176.028 176.000 -0.070 0.000 1.022 285 Q CA 0.852 56.641 55.803 -0.023 0.000 0.898 285 Q CB 0.390 29.200 28.738 0.119 0.000 1.246 285 Q HN 0.823 nan 8.270 nan 0.000 0.410 286 G N 0.885 109.574 108.800 -0.185 0.000 2.445 286 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.104 286 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.104 286 G C 0.313 175.079 174.900 -0.224 0.000 0.958 286 G CA 0.188 45.207 45.100 -0.135 0.000 1.324 286 G HN 0.700 nan 8.290 nan 0.000 0.549 287 S N 0.159 115.756 115.700 -0.172 0.000 2.481 287 S HA 0.327 4.797 4.470 -0.000 0.000 0.231 287 S C 1.164 175.613 174.600 -0.252 0.000 0.996 287 S CA 1.488 59.593 58.200 -0.159 0.000 0.942 287 S CB -0.365 62.782 63.200 -0.088 0.000 0.768 287 S HN 1.787 nan 8.310 nan 0.000 0.520 288 S N -0.608 114.884 115.700 -0.347 0.000 2.732 288 S HA 0.697 5.167 4.470 -0.000 0.000 0.293 288 S C -1.607 172.636 174.600 -0.595 0.000 1.159 288 S CA -0.984 56.992 58.200 -0.374 0.000 0.847 288 S CB 0.583 63.698 63.200 -0.142 0.000 1.169 288 S HN 0.176 nan 8.310 nan 0.000 0.501 289 Y N 1.508 121.805 120.300 -0.006 0.000 2.748 289 Y HA 0.432 4.982 4.550 -0.000 0.000 0.359 289 Y C -1.851 174.037 175.900 -0.020 0.000 1.030 289 Y CA -1.919 56.178 58.100 -0.003 0.000 1.169 289 Y CB 1.281 39.722 38.460 -0.031 0.000 1.127 289 Y HN 0.565 nan 8.280 nan 0.000 0.644 290 P HA -0.075 nan 4.420 nan 0.000 0.245 290 P C 1.081 178.402 177.300 0.037 0.000 1.212 290 P CA 0.682 63.808 63.100 0.044 0.000 0.774 290 P CB 0.690 32.405 31.700 0.024 0.000 0.999 291 E N 0.842 121.060 120.200 0.031 0.000 2.130 291 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 291 E C 1.764 178.322 176.600 -0.069 0.000 0.998 291 E CA 0.830 57.215 56.400 -0.024 0.000 0.806 291 E CB -1.107 28.542 29.700 -0.085 0.000 0.738 291 E HN 0.137 nan 8.360 nan 0.000 0.459 292 I N 0.756 121.286 120.570 -0.067 0.000 2.454 292 I HA -0.258 3.912 4.170 -0.000 0.000 0.254 292 I C 1.399 177.471 176.117 -0.075 0.000 1.156 292 I CA 1.189 62.440 61.300 -0.082 0.000 1.433 292 I CB -0.319 37.643 38.000 -0.063 0.000 1.082 292 I HN 0.129 nan 8.210 nan 0.000 0.432 293 N N 0.087 118.766 118.700 -0.034 0.000 2.039 293 N HA -0.139 4.600 4.740 -0.000 0.000 0.193 293 N C 1.989 177.359 175.510 -0.234 0.000 1.044 293 N CA 1.863 54.890 53.050 -0.037 0.000 0.847 293 N CB -0.580 37.981 38.487 0.123 0.000 1.030 293 N HN 0.305 nan 8.380 nan 0.000 0.422 294 S N 0.334 115.969 115.700 -0.107 0.000 2.383 294 S HA -0.056 4.414 4.470 -0.000 0.000 0.227 294 S C 2.024 176.465 174.600 -0.265 0.000 1.026 294 S CA 1.228 59.278 58.200 -0.250 0.000 0.981 294 S CB -0.326 62.918 63.200 0.073 0.000 0.818 294 S HN 0.432 nan 8.310 nan 0.000 0.472 295 T N 1.743 116.217 114.554 -0.132 0.000 2.746 295 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 295 T C 1.810 176.433 174.700 -0.129 0.000 1.039 295 T CA 1.185 63.237 62.100 -0.080 0.000 1.142 295 T CB -0.162 68.679 68.868 -0.045 0.000 0.866 295 T HN 0.371 nan 8.240 nan 0.000 0.444 296 K N 1.056 121.357 120.400 -0.165 0.000 2.148 296 K HA 0.033 4.352 4.320 -0.000 0.000 0.204 296 K C 2.525 178.999 176.600 -0.209 0.000 1.050 296 K CA 0.983 57.179 56.287 -0.151 0.000 0.942 296 K CB -0.295 32.130 32.500 -0.125 0.000 0.724 296 K HN 0.274 nan 8.250 nan 0.000 0.446 297 A N 0.840 123.428 122.820 -0.387 0.000 1.908 297 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 297 A C 2.403 179.843 177.584 -0.241 0.000 1.181 297 A CA 1.793 53.558 52.037 -0.453 0.000 0.627 297 A CB -1.054 17.305 19.000 -1.067 0.000 0.818 297 A HN 0.548 nan 8.150 nan 0.000 0.445 298 c N -1.224 117.256 118.600 -0.200 0.000 2.453 298 c HA -0.011 4.559 4.570 -0.000 0.000 0.277 298 c C 2.727 176.778 174.090 -0.065 0.000 1.262 298 c CA 1.473 57.744 56.329 -0.097 0.000 1.718 298 c CB -0.711 41.761 42.510 -0.063 0.000 2.031 298 c HN 0.706 nan 8.230 nan 0.000 0.480 299 K N 1.084 121.443 120.400 -0.068 0.000 2.026 299 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 299 K C 1.869 178.445 176.600 -0.040 0.000 1.048 299 K CA 2.178 58.439 56.287 -0.043 0.000 0.929 299 K CB -0.910 31.567 32.500 -0.039 0.000 0.713 299 K HN 0.415 nan 8.250 nan 0.000 0.439 300 T N 0.302 114.822 114.554 -0.055 0.000 2.803 300 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 300 T C 1.646 176.328 174.700 -0.030 0.000 1.052 300 T CA 1.399 63.474 62.100 -0.042 0.000 1.136 300 T CB -0.423 68.414 68.868 -0.052 0.000 0.864 300 T HN 0.390 nan 8.240 nan 0.000 0.467 301 A N 0.183 122.982 122.820 -0.034 0.000 2.239 301 A HA 0.467 4.787 4.320 -0.000 0.000 0.209 301 A C 1.945 179.523 177.584 -0.011 0.000 1.171 301 A CA 1.043 53.069 52.037 -0.018 0.000 0.768 301 A CB -0.665 18.324 19.000 -0.017 0.000 0.790 301 A HN 0.756 nan 8.150 nan 0.000 0.478 302 G N -2.349 106.443 108.800 -0.013 0.000 2.163 302 G HA2 0.155 4.115 3.960 -0.000 0.000 0.213 302 G HA3 0.155 4.115 3.960 -0.000 0.000 0.213 302 G C 0.423 175.320 174.900 -0.005 0.000 0.991 302 G CA 0.109 45.204 45.100 -0.007 0.000 0.653 302 G HN 1.574 nan 8.290 nan 0.000 0.518 303 A N 0.533 123.348 122.820 -0.008 0.000 2.561 303 A HA 0.502 4.822 4.320 -0.000 0.000 0.234 303 A C 1.387 178.971 177.584 -0.000 0.000 1.055 303 A CA 1.426 53.460 52.037 -0.004 0.000 0.756 303 A CB 0.212 19.207 19.000 -0.008 0.000 0.986 303 A HN 1.123 nan 8.150 nan 0.000 0.505 304 K N 2.064 122.466 120.400 0.003 0.000 2.354 304 K HA 0.351 4.671 4.320 -0.000 0.000 0.194 304 K C 0.548 177.153 176.600 0.008 0.000 1.038 304 K CA 0.642 56.933 56.287 0.006 0.000 1.052 304 K CB 0.386 32.891 32.500 0.008 0.000 0.861 304 K HN 0.799 nan 8.250 nan 0.000 0.535 305 G N 1.193 109.997 108.800 0.006 0.000 2.720 305 G HA2 0.590 4.550 3.960 -0.000 0.000 0.295 305 G HA3 0.590 4.550 3.960 -0.000 0.000 0.295 305 G C -1.652 173.249 174.900 0.001 0.000 1.437 305 G CA -0.865 44.239 45.100 0.006 0.000 0.886 305 G HN 0.099 nan 8.290 nan 0.000 0.509 306 I N 0.709 121.278 120.570 -0.002 0.000 2.619 306 I HA 0.478 4.647 4.170 -0.000 0.000 0.292 306 I C -0.888 175.209 176.117 -0.032 0.000 1.100 306 I CA -0.799 60.499 61.300 -0.003 0.000 1.043 306 I CB 2.657 40.670 38.000 0.021 0.000 1.239 306 I HN 0.239 nan 8.210 nan 0.000 0.420 307 I N 6.065 126.621 120.570 -0.022 0.000 2.439 307 I HA 0.349 4.519 4.170 -0.000 0.000 0.283 307 I C -0.696 175.433 176.117 0.021 0.000 1.023 307 I CA -0.770 60.504 61.300 -0.043 0.000 1.100 307 I CB 1.954 39.923 38.000 -0.051 0.000 1.238 307 I HN 0.152 nan 8.210 nan 0.000 0.445 308 V N 7.057 126.968 119.914 -0.006 0.000 2.407 308 V HA 0.334 4.454 4.120 -0.000 0.000 0.278 308 V C -0.592 175.546 176.094 0.073 0.000 1.037 308 V CA -0.541 61.783 62.300 0.039 0.000 0.900 308 V CB 1.035 32.906 31.823 0.079 0.000 0.983 308 V HN 0.569 nan 8.190 nan 0.000 0.459 309 Y N 1.893 122.174 120.300 -0.032 0.000 2.509 309 Y HA 0.756 5.306 4.550 -0.000 0.000 0.341 309 Y C 0.356 176.238 175.900 -0.029 0.000 1.038 309 Y CA -1.234 56.836 58.100 -0.049 0.000 1.089 309 Y CB 0.971 39.396 38.460 -0.059 0.000 1.241 309 Y HN 0.461 nan 8.280 nan 0.000 0.468 310 S N 3.367 119.130 115.700 0.104 0.000 2.558 310 S HA 0.028 4.498 4.470 -0.000 0.000 0.288 310 S C 0.058 174.654 174.600 -0.006 0.000 1.318 310 S CA -0.517 57.691 58.200 0.013 0.000 1.056 310 S CB -0.299 62.906 63.200 0.008 0.000 0.853 310 S HN 0.828 nan 8.310 nan 0.000 0.505 311 N N 0.928 119.593 118.700 -0.059 0.000 2.413 311 N HA 0.197 4.937 4.740 -0.000 0.000 0.266 311 N C 0.411 175.909 175.510 -0.020 0.000 1.238 311 N CA -0.757 52.257 53.050 -0.060 0.000 0.972 311 N CB 0.499 38.936 38.487 -0.083 0.000 1.210 311 N HN 0.387 nan 8.380 nan 0.000 0.547 312 S N -0.268 115.422 115.700 -0.016 0.000 2.442 312 S HA -0.106 4.364 4.470 -0.000 0.000 0.236 312 S C 1.934 176.521 174.600 -0.022 0.000 1.007 312 S CA 0.964 59.157 58.200 -0.010 0.000 0.965 312 S CB -0.452 62.743 63.200 -0.009 0.000 0.773 312 S HN 0.701 nan 8.310 nan 0.000 0.504 313 A N 0.717 123.519 122.820 -0.031 0.000 1.898 313 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 313 A C 1.015 178.577 177.584 -0.035 0.000 1.181 313 A CA 0.913 52.929 52.037 -0.034 0.000 0.620 313 A CB -0.111 18.866 19.000 -0.039 0.000 0.819 313 A HN 0.453 nan 8.150 nan 0.000 0.442 314 L N 0.022 121.222 121.223 -0.038 0.000 2.480 314 L HA 0.245 4.585 4.340 -0.000 0.000 0.253 314 L C -2.025 174.817 176.870 -0.047 0.000 1.324 314 L CA -1.211 53.602 54.840 -0.046 0.000 0.916 314 L CB 2.204 44.234 42.059 -0.049 0.000 1.160 314 L HN 0.152 nan 8.230 nan 0.000 0.503 315 P HA -0.050 nan 4.420 nan 0.000 0.230 315 P C 0.888 178.145 177.300 -0.073 0.000 1.158 315 P CA 0.394 63.474 63.100 -0.034 0.000 0.769 315 P CB 0.404 32.093 31.700 -0.019 0.000 0.807 316 G N 0.894 109.622 108.800 -0.120 0.000 2.684 316 G HA2 0.234 4.194 3.960 -0.000 0.000 0.255 316 G HA3 0.234 4.194 3.960 -0.000 0.000 0.255 316 G C -0.611 174.163 174.900 -0.210 0.000 1.219 316 G CA -0.489 44.477 45.100 -0.222 0.000 0.901 316 G HN 0.194 nan 8.290 nan 0.000 0.548 317 L N 0.392 121.429 121.223 -0.310 0.000 2.418 317 L HA 0.248 4.588 4.340 -0.000 0.000 0.274 317 L C -0.031 176.760 176.870 -0.131 0.000 1.135 317 L CA 0.055 54.767 54.840 -0.214 0.000 0.870 317 L CB 0.676 42.590 42.059 -0.243 0.000 1.154 317 L HN 0.348 nan 8.230 nan 0.000 0.462 318 Q N 4.666 124.415 119.800 -0.085 0.000 2.306 318 Q HA 0.305 4.645 4.340 -0.000 0.000 0.265 318 Q C -0.660 175.318 176.000 -0.037 0.000 1.022 318 Q CA -0.208 55.574 55.803 -0.035 0.000 0.853 318 Q CB 1.606 30.334 28.738 -0.016 0.000 1.327 318 Q HN 0.730 nan 8.270 nan 0.000 0.449 319 N N 2.107 120.801 118.700 -0.010 0.000 2.813 319 N HA 0.226 4.966 4.740 -0.000 0.000 0.282 319 N C -2.442 173.016 175.510 -0.087 0.000 1.748 319 N CA -1.323 51.701 53.050 -0.043 0.000 0.860 319 N CB 1.086 39.565 38.487 -0.012 0.000 1.204 319 N HN 0.272 nan 8.380 nan 0.000 0.490 320 P HA 0.207 nan 4.420 nan 0.000 0.278 320 P C -0.737 176.483 177.300 -0.134 0.000 1.258 320 P CA -0.268 62.808 63.100 -0.039 0.000 0.811 320 P CB 0.983 32.722 31.700 0.066 0.000 1.063 321 F N 0.469 120.425 119.950 0.010 0.000 2.438 321 F HA 0.176 4.703 4.527 -0.000 0.000 0.356 321 F C 1.048 176.748 175.800 -0.168 0.000 1.099 321 F CA -0.434 57.488 58.000 -0.130 0.000 1.185 321 F CB 0.576 39.381 39.000 -0.326 0.000 1.115 321 F HN 0.076 nan 8.300 nan 0.000 0.526 322 L N 6.273 127.463 121.223 -0.055 0.000 2.315 322 L HA 0.375 4.715 4.340 -0.000 0.000 0.278 322 L C -0.702 176.068 176.870 -0.166 0.000 1.088 322 L CA -0.272 54.455 54.840 -0.188 0.000 0.899 322 L CB 0.152 42.002 42.059 -0.349 0.000 1.277 322 L HN 0.313 nan 8.230 nan 0.000 0.431 323 V N 4.223 124.018 119.914 -0.198 0.000 2.381 323 V HA 0.131 4.251 4.120 -0.000 0.000 0.257 323 V C 0.169 176.130 176.094 -0.222 0.000 1.057 323 V CA -0.211 61.874 62.300 -0.359 0.000 1.013 323 V CB 0.506 32.062 31.823 -0.445 0.000 1.069 323 V HN 0.614 nan 8.190 nan 0.000 0.484 324 D N 4.415 124.719 120.400 -0.161 0.000 2.557 324 D HA 0.470 5.110 4.640 -0.000 0.000 0.236 324 D C 1.075 177.407 176.300 0.054 0.000 1.154 324 D CA 0.112 54.084 54.000 -0.046 0.000 0.985 324 D CB 1.323 42.105 40.800 -0.030 0.000 1.010 324 D HN 0.507 nan 8.370 nan 0.000 0.516 325 A N 3.400 126.272 122.820 0.087 0.000 1.917 325 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 325 A C 1.640 179.286 177.584 0.105 0.000 1.182 325 A CA 1.206 53.355 52.037 0.187 0.000 0.633 325 A CB -0.084 19.008 19.000 0.152 0.000 0.819 325 A HN 0.485 nan 8.150 nan 0.000 0.448 326 N N -0.252 118.482 118.700 0.056 0.000 2.235 326 N HA 0.110 4.850 4.740 -0.000 0.000 0.209 326 N C -0.201 175.324 175.510 0.025 0.000 1.122 326 N CA 0.712 53.782 53.050 0.033 0.000 0.845 326 N CB 0.368 38.867 38.487 0.019 0.000 1.004 326 N HN 0.273 nan 8.380 nan 0.000 0.499 327 S N 0.874 116.594 115.700 0.033 0.000 3.614 327 S HA -0.130 4.340 4.470 -0.000 0.000 0.360 327 S C 0.560 175.166 174.600 0.011 0.000 1.023 327 S CA 0.552 58.766 58.200 0.024 0.000 1.114 327 S CB -0.823 62.392 63.200 0.025 0.000 0.907 327 S HN 0.410 nan 8.310 nan 0.000 0.470 328 D N 0.617 121.019 120.400 0.003 0.000 2.162 328 D HA 0.029 4.669 4.640 -0.000 0.000 0.203 328 D C 0.932 177.229 176.300 -0.006 0.000 0.967 328 D CA 0.561 54.557 54.000 -0.005 0.000 0.840 328 D CB 0.036 40.827 40.800 -0.015 0.000 0.972 328 D HN 0.453 nan 8.370 nan 0.000 0.482 329 I N 2.575 123.141 120.570 -0.007 0.000 2.278 329 I HA 0.015 4.185 4.170 -0.000 0.000 0.300 329 I C 1.203 177.328 176.117 0.013 0.000 1.174 329 I CA 0.391 61.692 61.300 0.000 0.000 1.347 329 I CB -0.746 37.252 38.000 -0.004 0.000 1.473 329 I HN -0.131 nan 8.210 nan 0.000 0.595 330 T N 1.188 115.750 114.554 0.012 0.000 3.145 330 T HA 0.300 4.650 4.350 -0.000 0.000 0.255 330 T C 0.407 175.119 174.700 0.020 0.000 1.039 330 T CA -0.319 61.791 62.100 0.016 0.000 0.928 330 T CB -0.319 68.556 68.868 0.012 0.000 1.029 330 T HN 0.281 nan 8.240 nan 0.000 0.554 331 V N -2.086 117.841 119.914 0.022 0.000 3.019 331 V HA 0.789 4.909 4.120 -0.000 0.000 0.317 331 V C -2.973 173.141 176.094 0.033 0.000 1.094 331 V CA -3.202 59.112 62.300 0.023 0.000 1.000 331 V CB 1.762 33.595 31.823 0.017 0.000 1.060 331 V HN -0.071 nan 8.190 nan 0.000 0.443 332 P HA 0.258 nan 4.420 nan 0.000 0.271 332 P C -0.466 176.848 177.300 0.025 0.000 1.226 332 P CA 0.408 63.527 63.100 0.031 0.000 0.765 332 P CB 1.018 32.733 31.700 0.025 0.000 0.835 333 S N 2.234 117.954 115.700 0.034 0.000 2.541 333 S HA 0.744 5.214 4.470 -0.000 0.000 0.280 333 S C -0.240 174.226 174.600 -0.223 0.000 1.112 333 S CA -0.726 57.473 58.200 -0.001 0.000 0.925 333 S CB 1.607 64.935 63.200 0.214 0.000 1.067 333 S HN 0.445 nan 8.310 nan 0.000 0.479 334 V N -1.090 118.582 119.914 -0.403 0.000 3.160 334 V HA 0.969 5.089 4.120 -0.000 0.000 0.310 334 V C -0.406 175.326 176.094 -0.603 0.000 1.181 334 V CA -0.712 61.282 62.300 -0.511 0.000 1.047 334 V CB 1.421 33.103 31.823 -0.235 0.000 1.068 334 V HN 1.095 nan 8.190 nan 0.000 0.441 335 S N 0.636 116.074 115.700 -0.438 0.000 2.502 335 S HA 0.871 5.341 4.470 -0.000 0.000 0.304 335 S C -0.739 173.749 174.600 -0.187 0.000 1.097 335 S CA 0.041 58.091 58.200 -0.251 0.000 1.045 335 S CB 1.189 64.297 63.200 -0.153 0.000 1.019 335 S HN 2.217 nan 8.310 nan 0.000 0.481 336 V N 1.724 121.573 119.914 -0.108 0.000 3.102 336 V HA 0.763 4.883 4.120 -0.000 0.000 0.312 336 V C -0.518 175.549 176.094 -0.046 0.000 1.135 336 V CA -1.148 61.093 62.300 -0.099 0.000 1.022 336 V CB 1.643 33.404 31.823 -0.103 0.000 1.056 336 V HN 0.890 nan 8.190 nan 0.000 0.436 337 D N 1.321 121.682 120.400 -0.066 0.000 2.384 337 D HA 0.184 4.824 4.640 -0.000 0.000 0.244 337 D C 1.094 177.402 176.300 0.013 0.000 1.251 337 D CA -0.153 53.818 54.000 -0.049 0.000 0.961 337 D CB 0.731 41.468 40.800 -0.105 0.000 1.116 337 D HN 0.706 nan 8.370 nan 0.000 0.484 338 R N -0.238 120.282 120.500 0.034 0.000 2.081 338 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 338 R C 2.097 178.395 176.300 -0.005 0.000 1.131 338 R CA 1.581 57.737 56.100 0.094 0.000 0.960 338 R CB -0.649 29.701 30.300 0.083 0.000 0.856 338 R HN 0.574 nan 8.270 nan 0.000 0.436 339 A N -0.238 122.570 122.820 -0.021 0.000 1.908 339 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 339 A C 2.140 179.687 177.584 -0.061 0.000 1.181 339 A CA 2.124 54.141 52.037 -0.032 0.000 0.627 339 A CB -0.851 18.144 19.000 -0.008 0.000 0.818 339 A HN 0.466 nan 8.150 nan 0.000 0.445 340 T N -0.527 113.986 114.554 -0.067 0.000 2.812 340 T HA 0.031 4.381 4.350 -0.000 0.000 0.264 340 T C 1.988 176.555 174.700 -0.222 0.000 1.042 340 T CA 1.228 63.273 62.100 -0.092 0.000 1.140 340 T CB -0.564 68.261 68.868 -0.071 0.000 0.870 340 T HN 0.575 nan 8.240 nan 0.000 0.445 341 G N 1.514 110.133 108.800 -0.301 0.000 2.418 341 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 341 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 341 G C 1.484 175.930 174.900 -0.758 0.000 1.158 341 G CA 0.461 45.137 45.100 -0.706 0.000 0.771 341 G HN 0.430 nan 8.290 nan 0.000 0.545 342 L N 0.586 121.507 121.223 -0.502 0.000 2.093 342 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 342 L C 3.382 180.138 176.870 -0.190 0.000 1.085 342 L CA 0.942 55.599 54.840 -0.304 0.000 0.755 342 L CB -0.386 41.583 42.059 -0.150 0.000 0.904 342 L HN 0.311 nan 8.230 nan 0.000 0.435 343 A N -0.017 122.718 122.820 -0.141 0.000 1.969 343 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 343 A C 2.219 179.767 177.584 -0.061 0.000 1.169 343 A CA 1.198 53.204 52.037 -0.053 0.000 0.635 343 A CB -0.576 18.439 19.000 0.025 0.000 0.810 343 A HN 0.372 nan 8.150 nan 0.000 0.445 344 L N -0.857 120.264 121.223 -0.169 0.000 2.275 344 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 344 L C 2.362 179.157 176.870 -0.124 0.000 1.119 344 L CA 1.069 55.798 54.840 -0.186 0.000 0.790 344 L CB -0.295 41.578 42.059 -0.310 0.000 0.919 344 L HN 0.354 nan 8.230 nan 0.000 0.443 345 K N 0.217 120.534 120.400 -0.139 0.000 2.103 345 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 345 K C 2.166 178.742 176.600 -0.040 0.000 1.048 345 K CA 1.400 57.635 56.287 -0.087 0.000 0.930 345 K CB -0.272 32.175 32.500 -0.088 0.000 0.716 345 K HN 0.305 nan 8.250 nan 0.000 0.444 346 A N 1.330 124.133 122.820 -0.028 0.000 2.070 346 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 346 A C 1.420 179.009 177.584 0.009 0.000 1.159 346 A CA 1.333 53.368 52.037 -0.003 0.000 0.656 346 A CB -0.030 18.975 19.000 0.008 0.000 0.800 346 A HN 0.065 nan 8.150 nan 0.000 0.453 347 K N -0.202 120.204 120.400 0.010 0.000 2.387 347 K HA 0.298 4.618 4.320 -0.000 0.000 0.198 347 K C -0.050 176.556 176.600 0.010 0.000 1.022 347 K CA -0.179 56.122 56.287 0.024 0.000 1.128 347 K CB -0.248 32.285 32.500 0.055 0.000 0.853 347 K HN 0.452 nan 8.250 nan 0.000 0.523 348 L N 0.758 121.980 121.223 -0.002 0.000 2.540 348 L HA -0.045 4.295 4.340 -0.000 0.000 0.276 348 L C 1.439 178.314 176.870 0.008 0.000 1.212 348 L CA 1.039 55.879 54.840 0.000 0.000 0.893 348 L CB 0.008 42.067 42.059 -0.000 0.000 1.138 348 L HN 0.573 nan 8.230 nan 0.000 0.491 349 G N 1.873 110.678 108.800 0.009 0.000 2.258 349 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.233 349 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.233 349 G C 0.258 175.166 174.900 0.014 0.000 1.006 349 G CA -0.364 44.743 45.100 0.011 0.000 0.620 349 G HN 0.571 nan 8.290 nan 0.000 0.511 350 Q N 0.806 120.617 119.800 0.017 0.000 2.259 350 Q HA 0.550 4.890 4.340 -0.000 0.000 0.246 350 Q C 0.373 176.387 176.000 0.024 0.000 0.920 350 Q CA 0.113 55.930 55.803 0.023 0.000 0.895 350 Q CB 1.517 30.274 28.738 0.031 0.000 1.220 350 Q HN 0.239 nan 8.270 nan 0.000 0.439 351 S N 1.376 117.091 115.700 0.025 0.000 2.515 351 S HA 0.082 4.552 4.470 -0.000 0.000 0.285 351 S C -0.640 173.981 174.600 0.035 0.000 1.265 351 S CA -0.020 58.195 58.200 0.026 0.000 1.079 351 S CB 0.048 63.262 63.200 0.023 0.000 0.877 351 S HN 0.487 nan 8.310 nan 0.000 0.493 352 T N 4.720 119.293 114.554 0.031 0.000 2.841 352 T HA 0.465 4.815 4.350 -0.000 0.000 0.283 352 T C -0.686 174.035 174.700 0.035 0.000 1.000 352 T CA -0.586 61.537 62.100 0.038 0.000 0.977 352 T CB 1.721 70.600 68.868 0.019 0.000 0.979 352 T HN 0.542 nan 8.240 nan 0.000 0.446 353 T N 2.625 117.207 114.554 0.048 0.000 2.770 353 T HA 0.545 4.895 4.350 -0.000 0.000 0.283 353 T C -0.369 174.359 174.700 0.046 0.000 0.988 353 T CA -0.495 61.631 62.100 0.043 0.000 0.957 353 T CB 0.897 69.793 68.868 0.047 0.000 0.930 353 T HN 0.336 nan 8.240 nan 0.000 0.443 354 V N 3.989 123.921 119.914 0.031 0.000 2.417 354 V HA 0.771 4.891 4.120 -0.000 0.000 0.291 354 V C -0.086 176.028 176.094 0.032 0.000 1.024 354 V CA -0.715 61.599 62.300 0.024 0.000 0.861 354 V CB 1.603 33.426 31.823 0.000 0.000 0.985 354 V HN 1.050 nan 8.190 nan 0.000 0.436 355 S N 3.691 119.418 115.700 0.046 0.000 2.540 355 S HA 0.647 5.117 4.470 -0.000 0.000 0.275 355 S C -1.232 173.407 174.600 0.064 0.000 1.123 355 S CA -0.974 57.257 58.200 0.051 0.000 0.907 355 S CB 2.014 65.248 63.200 0.057 0.000 1.081 355 S HN 0.535 nan 8.310 nan 0.000 0.476 356 N N 1.880 120.615 118.700 0.060 0.000 2.372 356 N HA 0.454 5.194 4.740 -0.000 0.000 0.285 356 N C -1.223 174.332 175.510 0.075 0.000 1.008 356 N CA -0.364 52.730 53.050 0.073 0.000 0.880 356 N CB 1.925 40.449 38.487 0.062 0.000 1.239 356 N HN 0.831 nan 8.380 nan 0.000 0.484 357 Q N 0.733 120.589 119.800 0.092 0.000 2.359 357 Q HA 0.656 4.996 4.340 -0.000 0.000 0.274 357 Q C -0.439 175.615 176.000 0.090 0.000 1.074 357 Q CA -0.907 54.944 55.803 0.080 0.000 0.810 357 Q CB 1.897 30.680 28.738 0.074 0.000 1.342 357 Q HN 0.686 nan 8.270 nan 0.000 0.427 358 G N 1.303 110.147 108.800 0.072 0.000 2.583 358 G HA2 0.243 4.203 3.960 -0.000 0.000 0.280 358 G HA3 0.243 4.203 3.960 -0.000 0.000 0.280 358 G C -0.279 174.657 174.900 0.061 0.000 1.376 358 G CA -0.382 44.762 45.100 0.072 0.000 1.043 358 G HN 0.914 nan 8.290 nan 0.000 0.538 359 N N -0.731 118.000 118.700 0.051 0.000 2.725 359 N HA -0.119 4.621 4.740 -0.000 0.000 0.249 359 N C 0.081 175.609 175.510 0.030 0.000 1.103 359 N CA 0.940 54.010 53.050 0.032 0.000 0.707 359 N CB -0.529 37.971 38.487 0.023 0.000 1.043 359 N HN 0.492 nan 8.380 nan 0.000 0.553 360 Q N 0.138 119.970 119.800 0.053 0.000 2.166 360 Q HA 0.325 4.664 4.340 -0.000 0.000 0.226 360 Q C 0.663 176.660 176.000 -0.005 0.000 0.989 360 Q CA -0.180 55.661 55.803 0.065 0.000 0.966 360 Q CB 0.665 29.492 28.738 0.148 0.000 1.173 360 Q HN 0.062 nan 8.270 nan 0.000 0.509 361 D N -0.313 120.037 120.400 -0.082 0.000 2.440 361 D HA 0.190 4.830 4.640 -0.000 0.000 0.216 361 D C -0.522 175.367 176.300 -0.684 0.000 1.150 361 D CA 0.368 54.142 54.000 -0.376 0.000 0.832 361 D CB 0.453 40.876 40.800 -0.629 0.000 0.992 361 D HN 0.273 nan 8.370 nan 0.000 0.502 362 Y N 0.144 120.500 120.300 0.094 0.000 2.615 362 Y HA 0.514 5.064 4.550 -0.000 0.000 0.341 362 Y C -0.127 175.805 175.900 0.052 0.000 1.089 362 Y CA -1.116 57.005 58.100 0.034 0.000 1.049 362 Y CB 2.214 40.699 38.460 0.041 0.000 1.296 362 Y HN -0.323 nan 8.280 nan 0.000 0.470 363 E N 0.006 120.289 120.200 0.139 0.000 2.388 363 E HA 0.345 4.695 4.350 -0.000 0.000 0.281 363 E C -2.239 174.441 176.600 0.134 0.000 1.046 363 E CA -0.733 55.778 56.400 0.186 0.000 0.825 363 E CB 1.470 31.319 29.700 0.249 0.000 1.243 363 E HN 0.583 nan 8.360 nan 0.000 0.438 364 Y N 1.763 122.208 120.300 0.243 0.000 2.336 364 Y HA 0.356 4.906 4.550 -0.000 0.000 0.335 364 Y C -0.471 175.642 175.900 0.354 0.000 1.046 364 Y CA 0.291 58.539 58.100 0.247 0.000 1.198 364 Y CB 0.783 39.333 38.460 0.149 0.000 1.182 364 Y HN 0.303 nan 8.280 nan 0.000 0.502 365 Y N 1.777 122.146 120.300 0.114 0.000 2.570 365 Y HA 0.415 4.965 4.550 -0.000 0.000 0.345 365 Y C -0.386 175.507 175.900 -0.012 0.000 1.014 365 Y CA -1.401 56.626 58.100 -0.122 0.000 1.063 365 Y CB 2.217 40.319 38.460 -0.597 0.000 1.272 365 Y HN 0.538 nan 8.280 nan 0.000 0.477 366 N N -0.044 118.694 118.700 0.064 0.000 2.292 366 N HA 0.759 5.499 4.740 -0.000 0.000 0.303 366 N C -0.998 174.451 175.510 -0.101 0.000 1.140 366 N CA -0.808 52.270 53.050 0.047 0.000 0.788 366 N CB 2.424 40.879 38.487 -0.054 0.000 1.361 366 N HN 0.824 nan 8.380 nan 0.000 0.489 367 G N -0.922 107.886 108.800 0.014 0.000 2.321 367 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.339 367 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.339 367 G C 0.361 175.423 174.900 0.271 0.000 1.518 367 G CA -0.337 44.727 45.100 -0.061 0.000 0.994 367 G HN 0.516 nan 8.290 nan 0.000 0.668 368 T N -1.713 113.031 114.554 0.318 0.000 3.007 368 T HA 0.005 4.355 4.350 -0.000 0.000 0.270 368 T C 2.255 177.082 174.700 0.211 0.000 1.107 368 T CA 2.158 64.427 62.100 0.282 0.000 1.118 368 T CB -0.022 68.995 68.868 0.248 0.000 0.889 368 T HN 0.532 nan 8.240 nan 0.000 0.506 369 S N 0.796 116.615 115.700 0.198 0.000 2.481 369 S HA 0.146 4.616 4.470 -0.000 0.000 0.231 369 S C 1.631 176.335 174.600 0.175 0.000 0.996 369 S CA 0.705 59.036 58.200 0.219 0.000 0.942 369 S CB -0.332 63.059 63.200 0.318 0.000 0.768 369 S HN 0.352 nan 8.310 nan 0.000 0.520 370 M N 0.421 120.131 119.600 0.184 0.000 2.486 370 M HA 0.336 4.816 4.480 -0.000 0.000 0.264 370 M C 2.076 178.542 176.300 0.277 0.000 1.125 370 M CA 0.467 55.888 55.300 0.201 0.000 1.144 370 M CB -0.603 32.132 32.600 0.224 0.000 1.353 370 M HN 0.253 nan 8.290 nan 0.000 0.466 371 A N -0.687 122.279 122.820 0.244 0.000 1.929 371 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 371 A C 2.213 179.930 177.584 0.223 0.000 1.176 371 A CA 1.987 54.159 52.037 0.225 0.000 0.628 371 A CB -1.150 17.949 19.000 0.165 0.000 0.816 371 A HN 0.419 nan 8.150 nan 0.000 0.444 372 T N 1.061 115.724 114.554 0.182 0.000 2.635 372 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 372 T C -0.255 174.520 174.700 0.124 0.000 1.040 372 T CA 1.907 64.096 62.100 0.148 0.000 1.156 372 T CB -1.157 67.798 68.868 0.145 0.000 0.863 372 T HN 0.502 nan 8.240 nan 0.000 0.430 373 P HA -0.075 nan 4.420 nan 0.000 0.222 373 P C 0.755 178.036 177.300 -0.032 0.000 1.147 373 P CA 1.343 64.448 63.100 0.009 0.000 0.790 373 P CB -0.139 31.526 31.700 -0.058 0.000 0.780 374 H N -0.610 118.466 119.070 0.011 0.000 2.357 374 H HA -0.051 4.505 4.556 -0.000 0.000 0.301 374 H C 2.059 177.405 175.328 0.030 0.000 1.082 374 H CA 1.244 57.290 56.048 -0.004 0.000 1.342 374 H CB -0.756 28.986 29.762 -0.035 0.000 1.389 374 H HN -0.128 nan 8.280 nan 0.000 0.511 375 V N 0.337 120.356 119.914 0.174 0.000 2.307 375 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 375 V C 2.433 178.590 176.094 0.105 0.000 1.045 375 V CA 1.929 64.304 62.300 0.125 0.000 1.024 375 V CB -0.535 31.357 31.823 0.114 0.000 0.651 375 V HN 0.602 nan 8.190 nan 0.000 0.449 376 S N 0.710 116.469 115.700 0.099 0.000 2.406 376 S HA -0.053 4.417 4.470 -0.000 0.000 0.228 376 S C 2.086 176.744 174.600 0.097 0.000 1.020 376 S CA 1.212 59.472 58.200 0.101 0.000 0.965 376 S CB -0.751 62.507 63.200 0.096 0.000 0.798 376 S HN 0.521 nan 8.310 nan 0.000 0.488 377 G N 1.575 110.416 108.800 0.068 0.000 2.421 377 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 377 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 377 G C 1.439 176.391 174.900 0.087 0.000 1.171 377 G CA 0.957 46.090 45.100 0.055 0.000 0.775 377 G HN 0.456 nan 8.290 nan 0.000 0.543 378 V N 1.569 121.540 119.914 0.095 0.000 2.407 378 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 378 V C 3.327 179.497 176.094 0.126 0.000 1.055 378 V CA 1.933 64.298 62.300 0.108 0.000 1.049 378 V CB -0.754 31.131 31.823 0.103 0.000 0.662 378 V HN 0.478 nan 8.190 nan 0.000 0.455 379 A N -0.179 122.715 122.820 0.123 0.000 1.908 379 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 379 A C 2.405 180.136 177.584 0.246 0.000 1.181 379 A CA 2.641 54.761 52.037 0.139 0.000 0.627 379 A CB -0.986 18.084 19.000 0.118 0.000 0.818 379 A HN 0.512 nan 8.150 nan 0.000 0.445 380 T N 0.035 114.731 114.554 0.236 0.000 2.737 380 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 380 T C 1.854 176.691 174.700 0.228 0.000 1.038 380 T CA 1.458 63.709 62.100 0.252 0.000 1.144 380 T CB -0.412 68.546 68.868 0.149 0.000 0.866 380 T HN 0.339 nan 8.240 nan 0.000 0.434 381 L N 1.468 122.803 121.223 0.187 0.000 2.012 381 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 381 L C 2.435 179.493 176.870 0.313 0.000 1.073 381 L CA 1.635 56.595 54.840 0.201 0.000 0.748 381 L CB -0.845 41.317 42.059 0.171 0.000 0.891 381 L HN 0.076 nan 8.230 nan 0.000 0.431 382 V N -1.370 118.718 119.914 0.290 0.000 2.343 382 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 382 V C 2.196 178.553 176.094 0.439 0.000 1.051 382 V CA 1.862 64.354 62.300 0.321 0.000 1.036 382 V CB -0.985 30.946 31.823 0.180 0.000 0.654 382 V HN 0.714 nan 8.190 nan 0.000 0.451 383 W N 1.605 123.009 121.300 0.174 0.000 2.374 383 W HA -0.193 4.467 4.660 -0.000 0.000 0.288 383 W C 2.887 179.478 176.519 0.120 0.000 1.218 383 W CA 1.783 59.219 57.345 0.151 0.000 1.245 383 W CB -0.778 28.742 29.460 0.099 0.000 1.126 383 W HN 0.495 nan 8.180 nan 0.000 0.545 384 S N -1.292 114.567 115.700 0.265 0.000 2.442 384 S HA -0.258 4.212 4.470 -0.000 0.000 0.236 384 S C 1.648 176.187 174.600 -0.101 0.000 1.007 384 S CA 1.252 59.453 58.200 0.001 0.000 0.965 384 S CB -1.131 62.014 63.200 -0.092 0.000 0.773 384 S HN 0.301 nan 8.310 nan 0.000 0.504 385 Y N 0.900 121.212 120.300 0.019 0.000 2.475 385 Y HA 0.206 4.756 4.550 -0.000 0.000 0.289 385 Y C 1.220 176.836 175.900 -0.473 0.000 1.121 385 Y CA 0.596 58.581 58.100 -0.193 0.000 1.257 385 Y CB 0.187 38.542 38.460 -0.175 0.000 1.026 385 Y HN 0.436 nan 8.280 nan 0.000 0.555 386 H N -0.356 118.903 119.070 0.315 0.000 2.597 386 H HA 0.192 4.748 4.556 -0.000 0.000 0.225 386 H C -2.049 173.493 175.328 0.356 0.000 1.422 386 H CA -1.544 54.671 56.048 0.279 0.000 1.335 386 H CB 0.623 30.543 29.762 0.262 0.000 1.783 386 H HN 0.142 nan 8.280 nan 0.000 0.513 387 P HA -0.154 nan 4.420 nan 0.000 0.228 387 P C 1.310 178.718 177.300 0.180 0.000 1.151 387 P CA 0.968 64.111 63.100 0.072 0.000 0.770 387 P CB 0.432 32.074 31.700 -0.096 0.000 0.786 388 E N -0.323 120.013 120.200 0.226 0.000 2.285 388 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 388 E C 0.353 177.097 176.600 0.239 0.000 0.997 388 E CA 0.243 56.756 56.400 0.188 0.000 0.845 388 E CB -1.097 28.694 29.700 0.151 0.000 0.782 388 E HN 0.169 nan 8.360 nan 0.000 0.491 389 c N 2.719 121.522 118.600 0.338 0.000 2.604 389 c HA 0.392 4.962 4.570 -0.000 0.000 0.396 389 c C 1.157 175.438 174.090 0.319 0.000 1.282 389 c CA -0.345 56.134 56.329 0.250 0.000 2.292 389 c CB 0.555 43.162 42.510 0.162 0.000 2.633 389 c HN 0.475 nan 8.230 nan 0.000 0.620 390 S N 1.840 117.621 115.700 0.134 0.000 2.632 390 S HA 0.470 4.940 4.470 -0.000 0.000 0.267 390 S C 0.959 175.489 174.600 -0.117 0.000 1.276 390 S CA -0.007 58.260 58.200 0.112 0.000 0.998 390 S CB 0.906 64.113 63.200 0.012 0.000 0.953 390 S HN 0.982 nan 8.310 nan 0.000 0.547 391 A N 1.826 124.590 122.820 -0.093 0.000 1.908 391 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 391 A C 2.360 179.807 177.584 -0.229 0.000 1.181 391 A CA 2.108 53.948 52.037 -0.328 0.000 0.627 391 A CB -1.672 17.337 19.000 0.016 0.000 0.818 391 A HN 0.861 nan 8.150 nan 0.000 0.445 392 S N -0.395 115.171 115.700 -0.223 0.000 2.382 392 S HA -0.219 4.251 4.470 -0.000 0.000 0.228 392 S C 2.088 176.649 174.600 -0.065 0.000 1.027 392 S CA 1.635 59.773 58.200 -0.103 0.000 0.991 392 S CB -0.324 62.750 63.200 -0.211 0.000 0.823 392 S HN 0.723 nan 8.310 nan 0.000 0.469 393 Q N 0.228 119.961 119.800 -0.112 0.000 2.119 393 Q HA -0.028 4.312 4.340 -0.000 0.000 0.201 393 Q C 2.275 178.184 176.000 -0.152 0.000 0.972 393 Q CA 1.141 56.898 55.803 -0.076 0.000 0.847 393 Q CB -0.246 28.471 28.738 -0.035 0.000 0.903 393 Q HN 0.360 nan 8.270 nan 0.000 0.433 394 V N 0.863 120.587 119.914 -0.317 0.000 2.358 394 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 394 V C 2.313 178.238 176.094 -0.282 0.000 1.047 394 V CA 1.891 63.950 62.300 -0.402 0.000 1.035 394 V CB -0.561 30.763 31.823 -0.830 0.000 0.658 394 V HN 0.314 nan 8.190 nan 0.000 0.452 395 R N 0.408 120.786 120.500 -0.203 0.000 2.083 395 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 395 R C 2.294 178.511 176.300 -0.138 0.000 1.137 395 R CA 1.853 57.891 56.100 -0.102 0.000 0.951 395 R CB -0.489 29.828 30.300 0.028 0.000 0.851 395 R HN 0.477 nan 8.270 nan 0.000 0.434 396 A N 0.584 123.319 122.820 -0.141 0.000 1.933 396 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 396 A C 2.348 179.676 177.584 -0.426 0.000 1.175 396 A CA 1.689 53.613 52.037 -0.188 0.000 0.628 396 A CB -0.742 18.214 19.000 -0.074 0.000 0.814 396 A HN 0.568 nan 8.150 nan 0.000 0.444 397 A N -0.158 122.305 122.820 -0.596 0.000 1.902 397 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 397 A C 2.161 179.373 177.584 -0.620 0.000 1.181 397 A CA 1.465 52.825 52.037 -1.128 0.000 0.623 397 A CB -0.596 17.933 19.000 -0.784 0.000 0.818 397 A HN 0.479 nan 8.150 nan 0.000 0.443 398 L N -0.291 120.727 121.223 -0.343 0.000 2.046 398 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 398 L C 2.304 179.069 176.870 -0.174 0.000 1.077 398 L CA 1.342 56.068 54.840 -0.190 0.000 0.747 398 L CB -0.721 41.277 42.059 -0.100 0.000 0.896 398 L HN 0.371 nan 8.230 nan 0.000 0.432 399 N N 0.423 118.991 118.700 -0.220 0.000 2.142 399 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 399 N C 1.859 177.129 175.510 -0.400 0.000 1.023 399 N CA 1.498 54.380 53.050 -0.280 0.000 0.852 399 N CB -0.293 37.943 38.487 -0.419 0.000 0.998 399 N HN 0.282 nan 8.380 nan 0.000 0.424 400 A N 0.206 122.790 122.820 -0.394 0.000 2.067 400 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 400 A C 1.940 179.435 177.584 -0.149 0.000 1.158 400 A CA 1.847 53.719 52.037 -0.275 0.000 0.661 400 A CB -0.533 18.350 19.000 -0.195 0.000 0.801 400 A HN 0.475 nan 8.150 nan 0.000 0.452 401 T N -3.684 110.772 114.554 -0.163 0.000 3.044 401 T HA 0.603 4.953 4.350 -0.000 0.000 0.260 401 T C 0.638 175.322 174.700 -0.027 0.000 1.019 401 T CA 0.378 62.438 62.100 -0.067 0.000 0.921 401 T CB -0.208 68.620 68.868 -0.067 0.000 1.053 401 T HN 0.550 nan 8.240 nan 0.000 0.533 402 A N 1.755 124.563 122.820 -0.020 0.000 2.445 402 A HA 0.378 4.697 4.320 -0.000 0.000 0.242 402 A C -0.023 177.592 177.584 0.052 0.000 1.075 402 A CA -0.350 51.709 52.037 0.037 0.000 0.777 402 A CB 0.017 19.070 19.000 0.088 0.000 1.013 402 A HN 0.438 nan 8.150 nan 0.000 0.493 403 D N 1.825 122.259 120.400 0.057 0.000 2.336 403 D HA 0.143 4.783 4.640 -0.000 0.000 0.249 403 D C -0.369 175.969 176.300 0.063 0.000 1.213 403 D CA 0.195 54.226 54.000 0.051 0.000 0.870 403 D CB 0.872 41.698 40.800 0.044 0.000 1.076 403 D HN 0.532 nan 8.370 nan 0.000 0.483 404 D N 2.560 122.997 120.400 0.061 0.000 2.531 404 D HA 0.013 4.653 4.640 -0.000 0.000 0.239 404 D C -0.306 176.020 176.300 0.043 0.000 1.144 404 D CA 0.452 54.488 54.000 0.061 0.000 0.869 404 D CB 0.546 41.379 40.800 0.055 0.000 1.160 404 D HN 0.298 nan 8.370 nan 0.000 0.484 405 L N 2.339 123.585 121.223 0.037 0.000 2.271 405 L HA 0.427 4.767 4.340 -0.000 0.000 0.265 405 L C 1.163 178.034 176.870 0.002 0.000 1.013 405 L CA -1.119 53.738 54.840 0.027 0.000 0.820 405 L CB 1.264 43.349 42.059 0.043 0.000 1.352 405 L HN 0.607 nan 8.230 nan 0.000 0.443 406 S N -0.194 115.502 115.700 -0.007 0.000 3.736 406 S HA -0.203 4.267 4.470 -0.000 0.000 0.627 406 S C -0.001 174.580 174.600 -0.031 0.000 2.426 406 S CA 0.944 59.124 58.200 -0.033 0.000 4.022 406 S CB -1.072 62.087 63.200 -0.068 0.000 0.237 406 S HN 1.082 nan 8.310 nan 0.000 0.967 407 V N 1.194 121.079 119.914 -0.047 0.000 2.963 407 V HA 0.688 4.808 4.120 -0.000 0.000 0.306 407 V C 0.874 176.954 176.094 -0.023 0.000 1.077 407 V CA -0.157 62.121 62.300 -0.037 0.000 1.124 407 V CB -0.097 31.697 31.823 -0.048 0.000 0.987 407 V HN 1.758 nan 8.190 nan 0.000 0.487 408 A N 3.350 126.163 122.820 -0.012 0.000 2.540 408 A HA 0.566 4.886 4.320 -0.000 0.000 0.239 408 A C 1.154 178.740 177.584 0.004 0.000 1.061 408 A CA 0.714 52.752 52.037 0.001 0.000 0.758 408 A CB -1.084 17.918 19.000 0.004 0.000 0.991 408 A HN 2.962 nan 8.150 nan 0.000 0.502 409 G N 1.096 109.910 108.800 0.024 0.000 0.000 409 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.000 409 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.000 409 G C 0.030 174.930 174.900 -0.000 0.000 0.000 409 G CA -0.019 45.103 45.100 0.037 0.000 0.000 409 G HN 1.287 nan 8.290 nan 0.000 0.000 410 R N 0.739 121.218 120.500 -0.036 0.000 2.489 410 R HA 0.436 4.776 4.340 -0.000 0.000 0.287 410 R C 0.210 176.413 176.300 -0.162 0.000 1.053 410 R CA 0.894 56.860 56.100 -0.223 0.000 1.036 410 R CB -0.135 29.872 30.300 -0.489 0.000 0.966 410 R HN 0.774 nan 8.270 nan 0.000 0.432 411 D N 0.875 121.176 120.400 -0.166 0.000 2.523 411 D HA 0.132 4.772 4.640 -0.000 0.000 0.236 411 D C -0.222 176.004 176.300 -0.124 0.000 1.094 411 D CA -0.866 53.059 54.000 -0.124 0.000 0.942 411 D CB 1.143 41.875 40.800 -0.112 0.000 1.447 411 D HN 0.469 nan 8.370 nan 0.000 0.479 412 N N -0.683 117.965 118.700 -0.087 0.000 2.453 412 N HA -0.144 4.596 4.740 -0.000 0.000 0.183 412 N C 0.901 176.392 175.510 -0.032 0.000 1.041 412 N CA 0.634 53.661 53.050 -0.037 0.000 0.900 412 N CB 0.116 38.623 38.487 0.033 0.000 0.961 412 N HN 0.376 nan 8.380 nan 0.000 0.443 413 Q N -0.537 119.170 119.800 -0.154 0.000 2.123 413 Q HA 0.005 4.345 4.340 -0.000 0.000 0.196 413 Q C 1.870 177.789 176.000 -0.134 0.000 0.958 413 Q CA 1.241 56.842 55.803 -0.338 0.000 0.841 413 Q CB 0.115 28.381 28.738 -0.788 0.000 0.915 413 Q HN 0.397 nan 8.270 nan 0.000 0.455 414 T N -4.116 110.383 114.554 -0.092 0.000 3.043 414 T HA 0.532 4.882 4.350 -0.000 0.000 0.272 414 T C 1.039 175.729 174.700 -0.017 0.000 0.990 414 T CA 0.122 62.221 62.100 -0.001 0.000 0.897 414 T CB 0.395 69.269 68.868 0.011 0.000 1.111 414 T HN 0.362 nan 8.240 nan 0.000 0.529 415 G N 1.865 110.614 108.800 -0.085 0.000 2.574 415 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.286 415 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.286 415 G C 0.238 175.001 174.900 -0.228 0.000 1.212 415 G CA 0.482 45.473 45.100 -0.181 0.000 0.979 415 G HN 0.368 nan 8.290 nan 0.000 0.557 416 Y N 2.577 122.885 120.300 0.013 0.000 2.583 416 Y HA 0.390 4.940 4.550 -0.000 0.000 0.293 416 Y C 2.016 177.924 175.900 0.013 0.000 1.157 416 Y CA 1.978 60.083 58.100 0.008 0.000 1.315 416 Y CB -0.135 38.326 38.460 0.001 0.000 1.021 416 Y HN 1.693 nan 8.280 nan 0.000 0.536 417 G N -0.244 108.632 108.800 0.126 0.000 2.318 417 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.367 417 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.367 417 G C -1.076 173.886 174.900 0.103 0.000 1.260 417 G CA -0.727 44.432 45.100 0.099 0.000 1.055 417 G HN -0.046 nan 8.290 nan 0.000 0.484 418 M N 1.190 120.849 119.600 0.099 0.000 2.188 418 M HA 0.602 5.082 4.480 -0.000 0.000 0.354 418 M C 0.642 176.998 176.300 0.093 0.000 1.342 418 M CA -0.651 54.714 55.300 0.108 0.000 1.117 418 M CB 0.399 33.077 32.600 0.130 0.000 1.670 418 M HN 0.723 nan 8.290 nan 0.000 0.466 419 I N 5.464 126.089 120.570 0.091 0.000 2.815 419 I HA -0.016 4.154 4.170 -0.000 0.000 0.291 419 I C -0.348 175.812 176.117 0.071 0.000 1.209 419 I CA 0.537 61.881 61.300 0.074 0.000 1.431 419 I CB 0.142 38.190 38.000 0.079 0.000 1.351 419 I HN 0.740 nan 8.210 nan 0.000 0.585 420 N N 5.952 124.680 118.700 0.047 0.000 2.576 420 N HA 0.337 5.077 4.740 -0.000 0.000 0.269 420 N C 0.186 175.715 175.510 0.030 0.000 1.058 420 N CA 0.027 53.102 53.050 0.041 0.000 0.860 420 N CB 1.818 40.322 38.487 0.028 0.000 1.249 420 N HN 0.766 nan 8.380 nan 0.000 0.525 421 A N 2.963 125.809 122.820 0.044 0.000 1.883 421 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 421 A C 1.864 179.456 177.584 0.013 0.000 1.186 421 A CA 1.772 53.833 52.037 0.040 0.000 0.624 421 A CB -0.514 18.522 19.000 0.060 0.000 0.822 421 A HN 0.448 nan 8.150 nan 0.000 0.444 422 V N -0.181 119.736 119.914 0.006 0.000 2.343 422 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 422 V C 3.041 179.130 176.094 -0.009 0.000 1.051 422 V CA 2.018 64.308 62.300 -0.016 0.000 1.036 422 V CB -1.247 30.571 31.823 -0.009 0.000 0.654 422 V HN 0.627 nan 8.190 nan 0.000 0.451 423 A N -0.133 122.691 122.820 0.006 0.000 1.930 423 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 423 A C 2.412 180.013 177.584 0.028 0.000 1.175 423 A CA 1.884 53.931 52.037 0.017 0.000 0.627 423 A CB -0.707 18.302 19.000 0.015 0.000 0.815 423 A HN 0.557 nan 8.150 nan 0.000 0.443 424 A N -0.261 122.559 122.820 0.001 0.000 1.902 424 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 424 A C 2.171 179.781 177.584 0.044 0.000 1.181 424 A CA 1.887 53.908 52.037 -0.026 0.000 0.623 424 A CB -0.397 18.573 19.000 -0.050 0.000 0.818 424 A HN 0.387 nan 8.150 nan 0.000 0.443 425 K N 0.157 120.577 120.400 0.033 0.000 2.097 425 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 425 K C 2.109 178.751 176.600 0.070 0.000 1.050 425 K CA 1.385 57.696 56.287 0.040 0.000 0.938 425 K CB -0.436 31.987 32.500 -0.129 0.000 0.718 425 K HN 0.352 nan 8.250 nan 0.000 0.442 426 A N 0.302 123.149 122.820 0.046 0.000 1.933 426 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 426 A C 2.131 179.762 177.584 0.078 0.000 1.175 426 A CA 1.336 53.403 52.037 0.049 0.000 0.628 426 A CB -0.789 18.230 19.000 0.031 0.000 0.814 426 A HN 0.556 nan 8.150 nan 0.000 0.444 427 Y N 0.436 120.709 120.300 -0.045 0.000 2.114 427 Y HA -0.158 4.392 4.550 -0.000 0.000 0.284 427 Y C 1.889 177.725 175.900 -0.107 0.000 1.143 427 Y CA 1.965 60.026 58.100 -0.064 0.000 1.135 427 Y CB -0.199 38.224 38.460 -0.062 0.000 0.980 427 Y HN 0.200 nan 8.280 nan 0.000 0.499 428 L N 0.040 121.387 121.223 0.208 0.000 2.291 428 L HA -0.159 4.181 4.340 -0.000 0.000 0.214 428 L C 1.736 178.305 176.870 -0.502 0.000 1.120 428 L CA 0.892 55.658 54.840 -0.123 0.000 0.799 428 L CB -0.505 41.497 42.059 -0.094 0.000 0.925 428 L HN 0.232 nan 8.230 nan 0.000 0.446 429 D N 0.114 120.425 120.400 -0.150 0.000 2.178 429 D HA -0.201 4.438 4.640 -0.000 0.000 0.201 429 D C 2.045 178.308 176.300 -0.061 0.000 0.980 429 D CA 1.002 55.013 54.000 0.018 0.000 0.842 429 D CB 0.178 41.047 40.800 0.116 0.000 0.948 429 D HN 0.351 nan 8.370 nan 0.000 0.472 430 E N -0.285 119.846 120.200 -0.116 0.000 2.047 430 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 430 E C 0.258 176.771 176.600 -0.145 0.000 0.987 430 E CA 0.816 57.142 56.400 -0.124 0.000 0.799 430 E CB 0.333 29.929 29.700 -0.173 0.000 0.752 430 E HN 0.218 nan 8.360 nan 0.000 0.449 431 S N -3.102 112.469 115.700 -0.214 0.000 2.645 431 S HA 0.069 4.539 4.470 -0.000 0.000 0.268 431 S C 0.373 174.858 174.600 -0.192 0.000 1.110 431 S CA -0.493 57.601 58.200 -0.176 0.000 0.823 431 S CB 0.400 63.517 63.200 -0.137 0.000 1.091 431 S HN 0.150 nan 8.310 nan 0.000 0.466 432 c N 1.553 120.090 118.600 -0.106 0.000 2.422 432 c HA 0.096 4.666 4.570 -0.000 0.000 0.286 432 c C 2.469 176.564 174.090 0.008 0.000 1.412 432 c CA 1.298 57.606 56.329 -0.035 0.000 1.786 432 c CB -1.824 40.691 42.510 0.010 0.000 1.835 432 c HN 0.994 nan 8.230 nan 0.000 0.533 433 T N -2.713 111.791 114.554 -0.083 0.000 3.092 433 T HA 0.481 4.831 4.350 -0.000 0.000 0.258 433 T C 0.975 175.447 174.700 -0.380 0.000 1.031 433 T CA 0.788 62.839 62.100 -0.082 0.000 0.925 433 T CB 0.137 68.968 68.868 -0.062 0.000 1.036 433 T HN 0.866 nan 8.240 nan 0.000 0.544 434 G N 2.712 111.060 108.800 -0.753 0.000 2.598 434 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.244 434 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.244 434 G C -2.727 171.820 174.900 -0.589 0.000 1.302 434 G CA -0.518 43.797 45.100 -1.309 0.000 0.903 434 G HN 0.521 nan 8.290 nan 0.000 0.575 435 P HA 0.326 nan 4.420 nan 0.000 0.271 435 P C 0.639 177.839 177.300 -0.166 0.000 1.218 435 P CA 0.882 63.845 63.100 -0.228 0.000 0.780 435 P CB 0.775 32.381 31.700 -0.156 0.000 0.901 436 T N 0.000 114.487 114.554 -0.112 0.000 3.816 436 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 436 T CA 0.000 62.053 62.100 -0.078 0.000 1.349 436 T CB 0.000 68.830 68.868 -0.063 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658