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 1v6c_1_A 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 ScTGP 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 0.000 177.526 177.584 -0.097 0.000 1.274 1 A CA 0.000 51.988 52.037 -0.081 0.000 0.836 1 A CB 0.000 18.938 19.000 -0.103 0.000 0.831 2 E N 1.172 121.336 120.200 -0.061 0.000 2.210 2 E HA 0.682 5.032 4.350 -0.000 0.000 0.266 2 E C -0.729 175.858 176.600 -0.021 0.000 0.883 2 E CA -0.321 56.043 56.400 -0.061 0.000 0.761 2 E CB 1.562 31.240 29.700 -0.037 0.000 1.156 2 E HN 0.597 nan 8.360 nan 0.000 0.412 3 T N 2.570 117.117 114.554 -0.012 0.000 2.895 3 T HA 0.332 4.682 4.350 -0.000 0.000 0.283 3 T C -0.583 174.132 174.700 0.025 0.000 1.014 3 T CA -0.536 61.601 62.100 0.063 0.000 1.037 3 T CB 1.582 70.575 68.868 0.208 0.000 1.006 3 T HN 0.342 nan 8.240 nan 0.000 0.468 4 T N 5.354 119.937 114.554 0.048 0.000 2.853 4 T HA 0.370 4.720 4.350 -0.000 0.000 0.317 4 T C -2.200 172.526 174.700 0.043 0.000 1.059 4 T CA -1.164 60.956 62.100 0.033 0.000 0.954 4 T CB 0.595 69.496 68.868 0.055 0.000 0.994 4 T HN 0.399 nan 8.240 nan 0.000 0.479 5 P HA -0.034 nan 4.420 nan 0.000 0.267 5 P C 1.464 178.751 177.300 -0.022 0.000 1.200 5 P CA -0.488 62.593 63.100 -0.031 0.000 0.772 5 P CB 0.732 32.341 31.700 -0.151 0.000 0.855 6 W N 2.833 124.100 121.300 -0.055 0.000 2.305 6 W HA -0.174 4.485 4.660 -0.000 0.000 0.308 6 W C 1.404 177.794 176.519 -0.215 0.000 1.226 6 W CA 1.457 58.699 57.345 -0.172 0.000 1.253 6 W CB -2.418 26.802 29.460 -0.400 0.000 1.146 6 W HN 0.424 nan 8.180 nan 0.000 0.507 7 G N 1.487 109.623 108.800 -1.107 0.000 2.442 7 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.219 7 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.219 7 G C 1.641 176.436 174.900 -0.175 0.000 1.141 7 G CA 1.276 45.785 45.100 -0.985 0.000 0.763 7 G HN 0.243 nan 8.290 nan 0.000 0.554 8 Q N 0.211 119.986 119.800 -0.041 0.000 2.084 8 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 8 Q C 2.770 178.845 176.000 0.125 0.000 0.978 8 Q CA 1.749 57.588 55.803 0.061 0.000 0.844 8 Q CB -0.979 27.769 28.738 0.016 0.000 0.898 8 Q HN 0.461 nan 8.270 nan 0.000 0.426 9 T N 0.654 115.319 114.554 0.185 0.000 2.812 9 T HA -0.003 4.347 4.350 -0.000 0.000 0.264 9 T C 1.711 176.630 174.700 0.366 0.000 1.042 9 T CA 0.666 62.926 62.100 0.268 0.000 1.140 9 T CB -0.367 68.699 68.868 0.330 0.000 0.870 9 T HN 0.216 nan 8.240 nan 0.000 0.445 10 F N 1.468 121.494 119.950 0.126 0.000 2.171 10 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 10 F C 2.462 178.312 175.800 0.083 0.000 1.090 10 F CA 0.591 58.675 58.000 0.139 0.000 1.293 10 F CB -0.256 38.894 39.000 0.251 0.000 1.013 10 F HN 0.062 nan 8.300 nan 0.000 0.486 11 V N -2.284 117.777 119.914 0.245 0.000 3.461 11 V HA 0.348 4.468 4.120 -0.000 0.000 0.267 11 V C 1.549 177.712 176.094 0.115 0.000 1.186 11 V CA 0.861 63.253 62.300 0.153 0.000 1.154 11 V CB -0.537 31.372 31.823 0.142 0.000 0.802 11 V HN 0.480 nan 8.190 nan 0.000 0.474 12 G N -0.326 108.545 108.800 0.118 0.000 2.143 12 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.249 12 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.249 12 G C 1.001 175.949 174.900 0.079 0.000 0.981 12 G CA 0.513 45.663 45.100 0.083 0.000 0.665 12 G HN 1.406 nan 8.290 nan 0.000 0.528 13 A N 0.128 123.003 122.820 0.091 0.000 2.015 13 A HA 0.175 4.495 4.320 -0.000 0.000 0.219 13 A C 2.624 180.255 177.584 0.079 0.000 1.163 13 A CA 2.698 54.786 52.037 0.085 0.000 0.646 13 A CB -0.859 18.189 19.000 0.080 0.000 0.806 13 A HN 1.597 nan 8.150 nan 0.000 0.448 14 T N -1.647 112.954 114.554 0.077 0.000 2.962 14 T HA -0.093 4.257 4.350 -0.000 0.000 0.270 14 T C 1.528 176.268 174.700 0.066 0.000 1.088 14 T CA 1.599 63.741 62.100 0.069 0.000 1.127 14 T CB -0.867 68.045 68.868 0.073 0.000 0.883 14 T HN 0.758 nan 8.240 nan 0.000 0.493 15 V N -1.610 118.344 119.914 0.066 0.000 3.506 15 V HA 0.439 4.559 4.120 -0.000 0.000 0.263 15 V C 1.150 177.287 176.094 0.071 0.000 1.203 15 V CA -0.231 62.105 62.300 0.059 0.000 1.133 15 V CB -0.862 30.989 31.823 0.047 0.000 0.802 15 V HN 0.401 nan 8.190 nan 0.000 0.459 16 L N 0.580 121.856 121.223 0.088 0.000 2.472 16 L HA 0.606 4.946 4.340 -0.000 0.000 0.256 16 L C 0.347 177.317 176.870 0.167 0.000 1.111 16 L CA -0.068 54.856 54.840 0.141 0.000 0.800 16 L CB 1.457 43.602 42.059 0.144 0.000 1.286 16 L HN 0.234 nan 8.230 nan 0.000 0.479 17 S N -0.866 114.982 115.700 0.248 0.000 2.521 17 S HA 0.247 4.717 4.470 -0.000 0.000 0.295 17 S C -0.362 174.284 174.600 0.077 0.000 1.098 17 S CA -0.789 57.489 58.200 0.130 0.000 0.999 17 S CB 1.258 64.506 63.200 0.081 0.000 1.034 17 S HN 0.664 nan 8.310 nan 0.000 0.483 18 D N 2.861 123.281 120.400 0.033 0.000 2.370 18 D HA 0.037 4.677 4.640 -0.000 0.000 0.230 18 D C 1.544 177.807 176.300 -0.062 0.000 1.143 18 D CA 0.325 54.322 54.000 -0.004 0.000 0.834 18 D CB -0.240 40.573 40.800 0.022 0.000 0.944 18 D HN 0.426 nan 8.370 nan 0.000 0.504 19 S N -0.017 115.630 115.700 -0.088 0.000 2.420 19 S HA -0.244 4.226 4.470 -0.000 0.000 0.237 19 S C 1.530 176.056 174.600 -0.123 0.000 1.023 19 S CA 0.846 58.990 58.200 -0.093 0.000 0.991 19 S CB -0.267 62.879 63.200 -0.089 0.000 0.792 19 S HN 0.173 nan 8.310 nan 0.000 0.488 20 Q N 0.203 119.890 119.800 -0.189 0.000 2.282 20 Q HA 0.456 4.796 4.340 -0.000 0.000 0.206 20 Q C 1.994 177.911 176.000 -0.138 0.000 0.878 20 Q CA 0.660 56.352 55.803 -0.184 0.000 0.944 20 Q CB -0.208 28.364 28.738 -0.276 0.000 1.100 20 Q HN 0.688 nan 8.270 nan 0.000 0.509 21 A N 0.745 123.503 122.820 -0.104 0.000 2.186 21 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 21 A C 2.070 179.612 177.584 -0.070 0.000 1.159 21 A CA 1.464 53.463 52.037 -0.063 0.000 0.680 21 A CB -0.757 18.228 19.000 -0.025 0.000 0.787 21 A HN 0.397 nan 8.150 nan 0.000 0.467 22 G N 0.812 109.567 108.800 -0.075 0.000 2.509 22 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 22 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 22 G C 1.096 175.942 174.900 -0.090 0.000 1.124 22 G CA 0.855 45.911 45.100 -0.072 0.000 0.776 22 G HN 0.930 nan 8.290 nan 0.000 0.547 23 N N -0.795 117.840 118.700 -0.109 0.000 2.398 23 N HA 0.069 4.809 4.740 -0.000 0.000 0.188 23 N C 0.193 175.593 175.510 -0.184 0.000 1.122 23 N CA -0.232 52.738 53.050 -0.133 0.000 0.866 23 N CB 0.333 38.742 38.487 -0.129 0.000 0.970 23 N HN 0.013 nan 8.380 nan 0.000 0.462 24 R N 0.297 120.696 120.500 -0.168 0.000 2.803 24 R HA 0.443 4.783 4.340 -0.000 0.000 0.276 24 R C -0.932 175.285 176.300 -0.139 0.000 0.978 24 R CA -0.407 55.568 56.100 -0.208 0.000 0.939 24 R CB 1.787 31.986 30.300 -0.168 0.000 1.179 24 R HN -0.060 nan 8.270 nan 0.000 0.472 25 T N 2.026 116.494 114.554 -0.143 0.000 2.937 25 T HA 0.459 4.809 4.350 -0.000 0.000 0.297 25 T C -0.461 174.208 174.700 -0.051 0.000 0.991 25 T CA -0.479 61.565 62.100 -0.093 0.000 0.990 25 T CB 1.247 70.048 68.868 -0.112 0.000 0.991 25 T HN 0.466 nan 8.240 nan 0.000 0.440 26 I N 2.570 123.130 120.570 -0.016 0.000 2.378 26 I HA 0.626 4.796 4.170 -0.000 0.000 0.291 26 I C -0.602 175.524 176.117 0.015 0.000 0.992 26 I CA -0.669 60.643 61.300 0.021 0.000 1.154 26 I CB 0.611 38.638 38.000 0.045 0.000 1.315 26 I HN 0.692 nan 8.210 nan 0.000 0.448 27 c N 8.437 127.053 118.600 0.027 0.000 2.303 27 c HA 0.570 5.140 4.570 -0.000 0.000 0.326 27 c C -0.035 174.071 174.090 0.027 0.000 1.285 27 c CA -0.667 55.678 56.329 0.027 0.000 1.675 27 c CB -0.147 42.383 42.510 0.034 0.000 2.289 27 c HN 0.664 nan 8.230 nan 0.000 0.512 28 I N 7.716 128.293 120.570 0.011 0.000 2.307 28 I HA 0.330 4.500 4.170 -0.000 0.000 0.289 28 I C -0.088 176.048 176.117 0.032 0.000 1.021 28 I CA -0.023 61.304 61.300 0.045 0.000 1.224 28 I CB 0.735 38.779 38.000 0.074 0.000 1.376 28 I HN 0.503 nan 8.210 nan 0.000 0.470 29 I N 6.446 127.039 120.570 0.039 0.000 2.291 29 I HA 0.272 4.442 4.170 -0.000 0.000 0.292 29 I C 0.038 176.202 176.117 0.077 0.000 1.064 29 I CA 0.437 61.730 61.300 -0.011 0.000 1.269 29 I CB 0.357 38.337 38.000 -0.033 0.000 1.418 29 I HN 0.685 nan 8.210 nan 0.000 0.485 30 D N 2.635 123.088 120.400 0.088 0.000 3.948 30 D HA 0.091 4.731 4.640 -0.000 0.000 0.338 30 D C 0.232 176.719 176.300 0.311 0.000 1.541 30 D CA -0.129 54.049 54.000 0.296 0.000 0.973 30 D CB 1.250 42.245 40.800 0.325 0.000 1.449 30 D HN 0.295 nan 8.370 nan 0.000 0.624 31 S N 0.106 116.043 115.700 0.395 0.000 2.679 31 S HA 0.525 4.995 4.470 -0.000 0.000 0.233 31 S C 0.833 175.561 174.600 0.213 0.000 0.951 31 S CA 0.877 59.267 58.200 0.317 0.000 0.973 31 S CB -0.264 63.111 63.200 0.291 0.000 0.778 31 S HN 0.940 nan 8.310 nan 0.000 0.477 32 G N 0.279 109.207 108.800 0.215 0.000 2.592 32 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.684 32 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.684 32 G C -1.206 173.887 174.900 0.321 0.000 1.291 32 G CA -0.574 44.673 45.100 0.245 0.000 0.891 32 G HN 0.812 nan 8.290 nan 0.000 0.544 33 Y N 0.630 121.046 120.300 0.194 0.000 2.331 33 Y HA 0.527 5.077 4.550 -0.000 0.000 0.326 33 Y C -0.455 175.512 175.900 0.112 0.000 1.020 33 Y CA -0.764 57.444 58.100 0.180 0.000 1.136 33 Y CB 2.007 40.665 38.460 0.330 0.000 1.157 33 Y HN 0.658 nan 8.280 nan 0.000 0.444 34 D N 5.644 126.000 120.400 -0.072 0.000 2.455 34 D HA 0.050 4.690 4.640 -0.000 0.000 0.234 34 D C 1.152 177.422 176.300 -0.051 0.000 1.224 34 D CA 0.361 54.337 54.000 -0.040 0.000 0.999 34 D CB 0.434 41.205 40.800 -0.049 0.000 1.072 34 D HN 0.779 nan 8.370 nan 0.000 0.514 35 R N 1.599 122.190 120.500 0.152 0.000 2.285 35 R HA -0.104 4.236 4.340 -0.000 0.000 0.213 35 R C 1.699 178.056 176.300 0.096 0.000 1.068 35 R CA 1.108 57.342 56.100 0.222 0.000 1.004 35 R CB 0.182 30.595 30.300 0.188 0.000 0.873 35 R HN 0.385 nan 8.270 nan 0.000 0.467 36 S N -1.605 114.124 115.700 0.049 0.000 2.527 36 S HA -0.101 4.369 4.470 -0.000 0.000 0.222 36 S C 0.557 175.159 174.600 0.003 0.000 0.985 36 S CA -0.115 58.094 58.200 0.016 0.000 0.921 36 S CB -0.255 62.942 63.200 -0.005 0.000 0.772 36 S HN 0.446 nan 8.310 nan 0.000 0.529 37 H N 2.028 121.044 119.070 -0.090 0.000 2.886 37 H HA 0.267 4.823 4.556 -0.000 0.000 0.329 37 H C 1.104 176.385 175.328 -0.079 0.000 1.044 37 H CA 0.041 56.014 56.048 -0.125 0.000 1.456 37 H CB 0.451 30.086 29.762 -0.212 0.000 1.464 37 H HN 0.084 nan 8.280 nan 0.000 0.573 38 N N 3.249 121.936 118.700 -0.021 0.000 2.205 38 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 38 N C 0.584 176.210 175.510 0.192 0.000 1.015 38 N CA 1.171 54.266 53.050 0.075 0.000 0.862 38 N CB 0.019 38.514 38.487 0.013 0.000 0.986 38 N HN 0.682 nan 8.380 nan 0.000 0.429 39 D N -0.512 120.134 120.400 0.409 0.000 2.340 39 D HA 0.177 4.817 4.640 -0.000 0.000 0.220 39 D C 1.233 177.553 176.300 0.033 0.000 1.039 39 D CA 0.176 54.288 54.000 0.186 0.000 0.866 39 D CB 0.337 41.249 40.800 0.186 0.000 0.913 39 D HN 0.245 nan 8.370 nan 0.000 0.523 40 L N -1.403 119.843 121.223 0.039 0.000 3.017 40 L HA 0.163 4.503 4.340 -0.000 0.000 0.265 40 L C 1.670 178.651 176.870 0.185 0.000 1.128 40 L CA -0.079 54.768 54.840 0.011 0.000 0.984 40 L CB 0.138 41.973 42.059 -0.373 0.000 1.464 40 L HN -0.155 nan 8.230 nan 0.000 0.556 41 N N 1.968 120.753 118.700 0.142 0.000 2.061 41 N HA -0.187 4.553 4.740 -0.000 0.000 0.193 41 N C 1.413 177.004 175.510 0.136 0.000 1.030 41 N CA 1.839 54.976 53.050 0.145 0.000 0.856 41 N CB 0.067 38.602 38.487 0.081 0.000 1.023 41 N HN 0.306 nan 8.380 nan 0.000 0.424 42 A N -0.532 122.350 122.820 0.104 0.000 2.412 42 A HA 0.176 4.496 4.320 -0.000 0.000 0.253 42 A C 0.133 177.765 177.584 0.081 0.000 1.334 42 A CA -0.407 51.676 52.037 0.077 0.000 0.929 42 A CB -0.466 18.565 19.000 0.052 0.000 0.983 42 A HN 0.268 nan 8.150 nan 0.000 0.508 43 N N 0.782 119.554 118.700 0.120 0.000 2.463 43 N HA 0.123 4.863 4.740 -0.000 0.000 0.270 43 N C -0.547 174.997 175.510 0.056 0.000 1.205 43 N CA -0.296 52.812 53.050 0.097 0.000 0.974 43 N CB 0.432 39.012 38.487 0.156 0.000 1.197 43 N HN 0.198 nan 8.380 nan 0.000 0.504 44 N N 0.606 119.319 118.700 0.021 0.000 3.178 44 N HA 0.055 4.795 4.740 -0.000 0.000 0.300 44 N C -0.647 174.839 175.510 -0.039 0.000 1.242 44 N CA 0.021 53.068 53.050 -0.004 0.000 1.192 44 N CB 0.165 38.643 38.487 -0.015 0.000 1.463 44 N HN 0.174 nan 8.380 nan 0.000 0.539 45 V N 1.043 120.929 119.914 -0.048 0.000 2.513 45 V HA 0.641 4.761 4.120 -0.000 0.000 0.299 45 V C 0.068 176.065 176.094 -0.163 0.000 1.035 45 V CA -0.234 61.962 62.300 -0.173 0.000 0.889 45 V CB 1.653 33.275 31.823 -0.334 0.000 0.988 45 V HN 0.582 nan 8.190 nan 0.000 0.440 46 T N 2.803 117.117 114.554 -0.401 0.000 2.864 46 T HA 0.963 5.313 4.350 -0.000 0.000 0.289 46 T C -0.190 173.634 174.700 -1.460 0.000 1.082 46 T CA -0.351 61.447 62.100 -0.503 0.000 1.009 46 T CB 1.813 70.612 68.868 -0.115 0.000 1.234 46 T HN 1.399 nan 8.240 nan 0.000 0.526 47 G N -0.579 107.258 108.800 -1.606 0.000 2.646 47 G HA2 0.560 4.519 3.960 -0.000 0.000 0.291 47 G HA3 0.560 4.519 3.960 -0.000 0.000 0.291 47 G C -1.481 172.861 174.900 -0.931 0.000 1.445 47 G CA -0.774 43.004 45.100 -2.204 0.000 0.814 47 G HN 0.801 nan 8.290 nan 0.000 0.495 48 T N 2.211 116.453 114.554 -0.520 0.000 2.864 48 T HA 0.370 4.720 4.350 -0.000 0.000 0.310 48 T C 0.006 174.771 174.700 0.109 0.000 1.040 48 T CA -0.643 61.452 62.100 -0.007 0.000 0.977 48 T CB 0.601 69.554 68.868 0.142 0.000 0.976 48 T HN 0.412 nan 8.240 nan 0.000 0.459 49 N N 3.559 122.393 118.700 0.222 0.000 2.416 49 N HA 0.096 4.836 4.740 -0.000 0.000 0.246 49 N C -0.006 175.554 175.510 0.083 0.000 1.260 49 N CA 0.161 53.328 53.050 0.195 0.000 0.897 49 N CB 0.439 39.029 38.487 0.171 0.000 1.110 49 N HN 0.603 nan 8.380 nan 0.000 0.439 50 N N -0.677 118.041 118.700 0.031 0.000 2.258 50 N HA 0.057 4.797 4.740 -0.000 0.000 0.299 50 N C 0.639 176.089 175.510 -0.100 0.000 1.047 50 N CA -0.339 52.647 53.050 -0.106 0.000 0.814 50 N CB 1.122 39.447 38.487 -0.270 0.000 1.413 50 N HN 0.445 nan 8.380 nan 0.000 0.478 51 S N 1.824 117.455 115.700 -0.115 0.000 2.423 51 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 51 S C 1.601 176.157 174.600 -0.075 0.000 1.028 51 S CA 1.469 59.622 58.200 -0.078 0.000 1.000 51 S CB -0.442 62.715 63.200 -0.072 0.000 0.797 51 S HN 0.686 nan 8.310 nan 0.000 0.487 52 G N 0.821 109.557 108.800 -0.107 0.000 2.777 52 G HA2 0.189 4.149 3.960 -0.000 0.000 0.211 52 G HA3 0.189 4.149 3.960 -0.000 0.000 0.211 52 G C 1.075 175.943 174.900 -0.054 0.000 1.149 52 G CA 0.728 45.784 45.100 -0.074 0.000 0.785 52 G HN 0.732 nan 8.290 nan 0.000 0.536 53 T N -3.187 111.336 114.554 -0.051 0.000 3.288 53 T HA 0.501 4.850 4.350 -0.000 0.000 0.293 53 T C 1.362 176.041 174.700 -0.036 0.000 1.008 53 T CA 0.790 62.871 62.100 -0.030 0.000 0.929 53 T CB 0.680 69.540 68.868 -0.013 0.000 1.152 53 T HN 1.139 nan 8.240 nan 0.000 0.517 54 G N 2.804 111.573 108.800 -0.050 0.000 2.583 54 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.292 54 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.292 54 G C -0.510 174.316 174.900 -0.124 0.000 1.203 54 G CA -0.129 44.920 45.100 -0.085 0.000 0.987 54 G HN 0.653 nan 8.290 nan 0.000 0.554 55 N N 1.966 120.502 118.700 -0.272 0.000 2.438 55 N HA 0.239 4.979 4.740 -0.000 0.000 0.282 55 N C 1.491 176.725 175.510 -0.460 0.000 1.037 55 N CA 0.110 52.836 53.050 -0.541 0.000 0.942 55 N CB 0.725 38.481 38.487 -1.218 0.000 1.136 55 N HN 0.783 nan 8.380 nan 0.000 0.481 56 W N 3.119 124.278 121.300 -0.235 0.000 2.374 56 W HA -0.179 4.481 4.660 0.000 0.000 0.288 56 W C 0.636 177.153 176.519 -0.003 0.000 1.218 56 W CA 0.558 57.856 57.345 -0.078 0.000 1.245 56 W CB -0.860 28.585 29.460 -0.026 0.000 1.126 56 W HN 0.613 nan 8.180 nan 0.000 0.545 57 Y N 1.049 120.828 120.300 -0.868 0.000 2.471 57 Y HA 0.410 4.960 4.550 -0.000 0.000 0.286 57 Y C 0.534 176.265 175.900 -0.282 0.000 1.188 57 Y CA -0.047 57.603 58.100 -0.749 0.000 1.286 57 Y CB -0.987 36.681 38.460 -1.319 0.000 1.072 57 Y HN 0.011 nan 8.280 nan 0.000 0.517 58 Q N 2.406 121.979 119.800 -0.377 0.000 2.771 58 Q HA 0.218 4.558 4.340 -0.000 0.000 0.247 58 Q C -2.117 173.818 176.000 -0.108 0.000 0.986 58 Q CA -2.099 53.577 55.803 -0.212 0.000 0.713 58 Q CB 1.658 30.211 28.738 -0.307 0.000 1.241 58 Q HN 0.078 nan 8.270 nan 0.000 0.488 59 P HA -0.181 nan 4.420 nan 0.000 0.218 59 P C 0.705 178.011 177.300 0.011 0.000 1.148 59 P CA 1.743 64.858 63.100 0.025 0.000 0.822 59 P CB 0.447 32.181 31.700 0.055 0.000 0.784 60 G N 0.017 108.812 108.800 -0.009 0.000 2.545 60 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 60 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 60 G C -0.910 173.996 174.900 0.010 0.000 1.314 60 G CA -0.584 44.512 45.100 -0.006 0.000 0.906 60 G HN 0.259 nan 8.290 nan 0.000 0.563 61 N N 2.222 120.930 118.700 0.013 0.000 2.456 61 N HA 0.378 5.118 4.740 -0.000 0.000 0.288 61 N C 0.410 175.937 175.510 0.028 0.000 1.059 61 N CA -0.076 52.985 53.050 0.019 0.000 0.946 61 N CB 0.784 39.279 38.487 0.013 0.000 1.150 61 N HN 0.698 nan 8.380 nan 0.000 0.479 62 N N 0.923 119.645 118.700 0.036 0.000 2.725 62 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 62 N C -0.684 174.854 175.510 0.047 0.000 1.031 62 N CA 0.565 53.640 53.050 0.042 0.000 0.720 62 N CB -1.092 37.411 38.487 0.027 0.000 0.930 62 N HN 0.636 nan 8.380 nan 0.000 0.543 63 N N -0.922 117.817 118.700 0.066 0.000 2.622 63 N HA 0.380 5.120 4.740 -0.000 0.000 0.293 63 N C 0.401 175.984 175.510 0.121 0.000 1.788 63 N CA 0.289 53.389 53.050 0.083 0.000 0.860 63 N CB 0.317 38.849 38.487 0.073 0.000 1.388 63 N HN 0.284 nan 8.380 nan 0.000 0.496 64 A N -0.641 122.267 122.820 0.148 0.000 2.251 64 A HA -0.020 4.300 4.320 -0.000 0.000 0.209 64 A C 1.785 179.507 177.584 0.231 0.000 1.187 64 A CA 0.253 52.389 52.037 0.165 0.000 0.823 64 A CB -0.717 18.383 19.000 0.167 0.000 0.846 64 A HN 0.617 nan 8.150 nan 0.000 0.486 65 H N 0.591 119.769 119.070 0.181 0.000 2.289 65 H HA -0.199 4.357 4.556 -0.000 0.000 0.294 65 H C 2.209 177.646 175.328 0.181 0.000 1.095 65 H CA 2.234 58.410 56.048 0.212 0.000 1.256 65 H CB -0.307 29.506 29.762 0.086 0.000 1.359 65 H HN 0.442 nan 8.280 nan 0.000 0.487 66 G N -1.015 107.943 108.800 0.262 0.000 2.448 66 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 66 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 66 G C 1.751 176.710 174.900 0.097 0.000 1.127 66 G CA 1.149 46.371 45.100 0.203 0.000 0.766 66 G HN 0.416 nan 8.290 nan 0.000 0.552 67 T N -0.549 114.029 114.554 0.040 0.000 2.857 67 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 67 T C 2.006 176.598 174.700 -0.180 0.000 1.048 67 T CA 0.955 62.989 62.100 -0.110 0.000 1.139 67 T CB -0.291 68.496 68.868 -0.135 0.000 0.874 67 T HN 0.374 nan 8.240 nan 0.000 0.455 68 H N 0.843 119.765 119.070 -0.247 0.000 2.326 68 H HA -0.002 4.554 4.556 -0.000 0.000 0.301 68 H C 2.248 177.409 175.328 -0.278 0.000 1.081 68 H CA 1.289 57.118 56.048 -0.366 0.000 1.334 68 H CB -0.307 29.101 29.762 -0.589 0.000 1.385 68 H HN 0.135 nan 8.280 nan 0.000 0.504 69 V N 1.331 121.208 119.914 -0.062 0.000 2.287 69 V HA -0.279 3.840 4.120 -0.000 0.000 0.248 69 V C 3.031 179.086 176.094 -0.065 0.000 1.053 69 V CA 1.703 63.972 62.300 -0.051 0.000 1.027 69 V CB -1.193 30.622 31.823 -0.013 0.000 0.646 69 V HN 0.563 nan 8.190 nan 0.000 0.447 70 A N 0.376 123.176 122.820 -0.033 0.000 1.933 70 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 70 A C 2.407 179.938 177.584 -0.088 0.000 1.175 70 A CA 1.857 53.906 52.037 0.020 0.000 0.628 70 A CB -1.152 17.940 19.000 0.154 0.000 0.814 70 A HN 0.543 nan 8.150 nan 0.000 0.444 71 G N -1.266 107.399 108.800 -0.226 0.000 2.432 71 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.219 71 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.219 71 G C 1.517 176.262 174.900 -0.258 0.000 1.135 71 G CA 1.580 46.513 45.100 -0.280 0.000 0.767 71 G HN 0.429 nan 8.290 nan 0.000 0.550 72 T N 0.996 115.373 114.554 -0.296 0.000 2.867 72 T HA 0.030 4.380 4.350 -0.000 0.000 0.268 72 T C 2.342 176.879 174.700 -0.271 0.000 1.057 72 T CA 0.675 62.562 62.100 -0.354 0.000 1.136 72 T CB -0.059 68.544 68.868 -0.441 0.000 0.874 72 T HN 0.259 nan 8.240 nan 0.000 0.466 73 I N 0.383 120.855 120.570 -0.162 0.000 2.333 73 I HA 0.072 4.242 4.170 -0.000 0.000 0.246 73 I C 1.800 177.891 176.117 -0.044 0.000 1.106 73 I CA 0.845 62.096 61.300 -0.081 0.000 1.411 73 I CB 0.060 38.049 38.000 -0.019 0.000 1.082 73 I HN 0.139 nan 8.210 nan 0.000 0.420 74 A N 0.371 123.170 122.820 -0.034 0.000 2.579 74 A HA 0.642 4.962 4.320 -0.000 0.000 0.254 74 A C 0.413 177.990 177.584 -0.012 0.000 0.873 74 A CA -0.281 51.755 52.037 -0.002 0.000 1.106 74 A CB -0.319 18.709 19.000 0.047 0.000 1.222 74 A HN 0.119 nan 8.150 nan 0.000 0.470 75 A N 0.664 123.446 122.820 -0.063 0.000 2.567 75 A HA 0.447 4.767 4.320 -0.000 0.000 0.240 75 A C 0.325 177.899 177.584 -0.015 0.000 1.053 75 A CA 0.328 52.326 52.037 -0.064 0.000 0.755 75 A CB -0.427 18.519 19.000 -0.090 0.000 0.978 75 A HN 0.582 nan 8.150 nan 0.000 0.507 76 I N 1.814 122.392 120.570 0.012 0.000 2.588 76 I HA 0.206 4.376 4.170 -0.000 0.000 0.283 76 I C 1.103 177.234 176.117 0.024 0.000 1.119 76 I CA 0.082 61.398 61.300 0.027 0.000 1.419 76 I CB 0.947 38.975 38.000 0.046 0.000 1.394 76 I HN 0.720 nan 8.210 nan 0.000 0.562 77 A N 5.725 128.556 122.820 0.018 0.000 2.396 77 A HA 0.351 4.671 4.320 -0.000 0.000 0.279 77 A C 0.240 177.834 177.584 0.017 0.000 1.165 77 A CA -0.298 51.747 52.037 0.013 0.000 0.824 77 A CB -0.379 18.628 19.000 0.013 0.000 1.100 77 A HN 0.884 nan 8.150 nan 0.000 0.516 78 N N 0.874 119.583 118.700 0.015 0.000 2.381 78 N HA -0.033 4.707 4.740 -0.000 0.000 0.248 78 N C -0.280 175.234 175.510 0.007 0.000 1.430 78 N CA 0.107 53.166 53.050 0.015 0.000 0.993 78 N CB -1.149 37.353 38.487 0.026 0.000 1.352 78 N HN 0.565 nan 8.380 nan 0.000 0.520 79 N N 0.888 119.587 118.700 -0.002 0.000 2.741 79 N HA -0.280 4.460 4.740 -0.000 0.000 0.251 79 N C -1.171 174.324 175.510 -0.025 0.000 1.112 79 N CA 1.890 54.932 53.050 -0.013 0.000 0.750 79 N CB -0.632 37.849 38.487 -0.010 0.000 1.119 79 N HN 0.883 nan 8.380 nan 0.000 0.561 80 E N -1.987 118.199 120.200 -0.022 0.000 2.392 80 E HA 0.508 4.858 4.350 -0.000 0.000 0.279 80 E C 0.900 177.467 176.600 -0.056 0.000 0.964 80 E CA -0.578 55.801 56.400 -0.035 0.000 0.777 80 E CB 1.348 31.055 29.700 0.010 0.000 1.249 80 E HN 0.337 nan 8.360 nan 0.000 0.449 81 G N 1.033 109.716 108.800 -0.196 0.000 2.591 81 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.298 81 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.298 81 G C 0.292 174.952 174.900 -0.401 0.000 1.195 81 G CA 1.523 46.288 45.100 -0.559 0.000 0.989 81 G HN 1.563 nan 8.290 nan 0.000 0.551 82 V N -2.492 117.289 119.914 -0.222 0.000 3.119 82 V HA 0.965 5.085 4.120 -0.000 0.000 0.309 82 V C 0.428 176.488 176.094 -0.056 0.000 1.304 82 V CA 0.224 62.446 62.300 -0.129 0.000 1.057 82 V CB 1.166 32.901 31.823 -0.145 0.000 1.150 82 V HN 2.358 nan 8.190 nan 0.000 0.474 83 V N -2.323 117.556 119.914 -0.059 0.000 2.888 83 V HA 1.006 5.126 4.120 -0.000 0.000 0.309 83 V C 0.199 176.252 176.094 -0.069 0.000 1.114 83 V CA 0.275 62.550 62.300 -0.042 0.000 0.940 83 V CB 0.849 32.661 31.823 -0.018 0.000 1.021 83 V HN 1.509 nan 8.190 nan 0.000 0.426 84 G N 1.076 109.837 108.800 -0.065 0.000 2.613 84 G HA2 0.504 4.463 3.960 -0.000 0.000 0.303 84 G HA3 0.504 4.463 3.960 -0.000 0.000 0.303 84 G C 0.671 175.538 174.900 -0.055 0.000 1.312 84 G CA -0.130 44.914 45.100 -0.094 0.000 1.036 84 G HN 0.944 nan 8.290 nan 0.000 0.513 85 V N -0.094 119.782 119.914 -0.062 0.000 2.392 85 V HA -0.084 4.036 4.120 -0.000 0.000 0.249 85 V C 1.357 177.463 176.094 0.020 0.000 1.059 85 V CA 1.603 63.897 62.300 -0.010 0.000 1.051 85 V CB -0.592 31.229 31.823 -0.003 0.000 0.658 85 V HN 0.461 nan 8.190 nan 0.000 0.455 86 M N 0.997 120.605 119.600 0.013 0.000 1.998 86 M HA 0.288 4.768 4.480 -0.000 0.000 0.289 86 M C -2.249 174.060 176.300 0.015 0.000 0.886 86 M CA -1.101 54.213 55.300 0.025 0.000 0.853 86 M CB 2.299 34.918 32.600 0.030 0.000 1.462 86 M HN -0.009 nan 8.290 nan 0.000 0.375 87 P HA 0.120 nan 4.420 nan 0.000 0.261 87 P C -0.244 177.066 177.300 0.016 0.000 1.268 87 P CA 0.589 63.695 63.100 0.011 0.000 0.833 87 P CB 0.019 31.722 31.700 0.005 0.000 1.231 88 N N 0.718 119.427 118.700 0.015 0.000 2.327 88 N HA 0.102 4.842 4.740 -0.000 0.000 0.231 88 N C -0.334 175.182 175.510 0.010 0.000 1.130 88 N CA -0.190 52.867 53.050 0.012 0.000 0.845 88 N CB -0.274 38.218 38.487 0.008 0.000 1.073 88 N HN -0.027 nan 8.380 nan 0.000 0.496 89 Q N -0.849 118.961 119.800 0.016 0.000 2.451 89 Q HA -0.276 4.064 4.340 -0.000 0.000 0.305 89 Q C -0.297 175.705 176.000 0.003 0.000 1.345 89 Q CA 0.506 56.319 55.803 0.016 0.000 0.854 89 Q CB -1.855 26.895 28.738 0.019 0.000 1.162 89 Q HN 0.634 nan 8.270 nan 0.000 0.440 90 N N -0.641 118.057 118.700 -0.004 0.000 2.612 90 N HA 0.258 4.998 4.740 -0.000 0.000 0.224 90 N C 0.283 175.779 175.510 -0.024 0.000 1.051 90 N CA 0.242 53.281 53.050 -0.018 0.000 0.889 90 N CB 0.365 38.836 38.487 -0.027 0.000 1.449 90 N HN 0.334 nan 8.380 nan 0.000 0.442 91 A N 1.269 124.079 122.820 -0.016 0.000 2.531 91 A HA 0.129 4.449 4.320 -0.000 0.000 0.236 91 A C -0.321 177.247 177.584 -0.026 0.000 1.062 91 A CA 0.164 52.189 52.037 -0.020 0.000 0.760 91 A CB 0.042 19.041 19.000 -0.002 0.000 0.995 91 A HN 0.277 nan 8.150 nan 0.000 0.501 92 N N 1.076 119.751 118.700 -0.041 0.000 2.434 92 N HA 0.457 5.197 4.740 -0.000 0.000 0.272 92 N C -0.896 174.584 175.510 -0.050 0.000 1.040 92 N CA 0.138 53.158 53.050 -0.050 0.000 0.956 92 N CB 1.287 39.736 38.487 -0.064 0.000 1.108 92 N HN 0.539 nan 8.380 nan 0.000 0.481 93 I N 1.492 122.019 120.570 -0.070 0.000 2.465 93 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 93 I C -0.466 175.558 176.117 -0.154 0.000 1.014 93 I CA -0.701 60.541 61.300 -0.096 0.000 1.093 93 I CB 1.617 39.546 38.000 -0.118 0.000 1.267 93 I HN 0.408 nan 8.210 nan 0.000 0.431 94 H N 6.227 125.150 119.070 -0.244 0.000 2.495 94 H HA 0.591 5.147 4.556 -0.000 0.000 0.348 94 H C -1.131 173.995 175.328 -0.336 0.000 1.113 94 H CA -0.500 55.347 56.048 -0.335 0.000 1.195 94 H CB 1.312 30.927 29.762 -0.245 0.000 1.521 94 H HN 0.286 nan 8.280 nan 0.000 0.509 95 I N 5.860 125.882 120.570 -0.913 0.000 2.404 95 I HA 0.251 4.421 4.170 -0.000 0.000 0.293 95 I C -0.606 175.232 176.117 -0.466 0.000 0.992 95 I CA -0.802 60.170 61.300 -0.546 0.000 1.149 95 I CB 1.383 39.143 38.000 -0.401 0.000 1.315 95 I HN 0.340 nan 8.210 nan 0.000 0.446 96 V N 6.496 126.302 119.914 -0.180 0.000 2.409 96 V HA 0.299 4.419 4.120 -0.000 0.000 0.290 96 V C 0.194 176.236 176.094 -0.086 0.000 1.017 96 V CA -0.929 61.309 62.300 -0.105 0.000 0.841 96 V CB 1.892 33.654 31.823 -0.102 0.000 1.003 96 V HN 0.646 nan 8.190 nan 0.000 0.426 97 K N 3.834 124.238 120.400 0.007 0.000 2.267 97 K HA 0.376 4.696 4.320 -0.000 0.000 0.282 97 K C 0.661 177.166 176.600 -0.157 0.000 1.078 97 K CA -0.238 56.044 56.287 -0.008 0.000 0.903 97 K CB 1.333 33.893 32.500 0.101 0.000 1.111 97 K HN 0.626 nan 8.250 nan 0.000 0.475 98 V N 1.667 121.300 119.914 -0.469 0.000 3.661 98 V HA 0.348 4.468 4.120 -0.000 0.000 0.271 98 V C -0.047 175.459 176.094 -0.980 0.000 1.315 98 V CA -0.167 61.532 62.300 -1.001 0.000 1.072 98 V CB -0.473 30.285 31.823 -1.775 0.000 0.830 98 V HN 0.435 nan 8.190 nan 0.000 0.443 99 F N 1.608 121.410 119.950 -0.246 0.000 2.469 99 F HA 0.651 5.178 4.527 -0.000 0.000 0.332 99 F C 0.500 176.269 175.800 -0.051 0.000 1.103 99 F CA -0.809 57.123 58.000 -0.114 0.000 0.979 99 F CB 1.542 40.529 39.000 -0.022 0.000 1.137 99 F HN -0.032 nan 8.300 nan 0.000 0.463 100 N N 1.039 119.853 118.700 0.189 0.000 2.592 100 N HA 0.124 4.864 4.740 -0.000 0.000 0.292 100 N C 0.954 176.530 175.510 0.109 0.000 1.260 100 N CA -0.535 52.579 53.050 0.107 0.000 0.910 100 N CB 1.069 39.595 38.487 0.065 0.000 1.257 100 N HN 0.737 nan 8.380 nan 0.000 0.569 101 E N 0.588 120.828 120.200 0.067 0.000 2.085 101 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 101 E C 1.317 177.946 176.600 0.047 0.000 0.994 101 E CA 1.443 57.872 56.400 0.048 0.000 0.801 101 E CB -0.037 29.683 29.700 0.033 0.000 0.743 101 E HN 0.624 nan 8.360 nan 0.000 0.453 102 A N 0.276 123.133 122.820 0.061 0.000 2.067 102 A HA 0.212 4.531 4.320 -0.000 0.000 0.219 102 A C 1.176 178.819 177.584 0.098 0.000 1.158 102 A CA 1.479 53.555 52.037 0.066 0.000 0.661 102 A CB -0.302 18.737 19.000 0.065 0.000 0.801 102 A HN 0.528 nan 8.150 nan 0.000 0.452 103 G N -2.742 106.148 108.800 0.151 0.000 2.278 103 G HA2 0.060 4.020 3.960 -0.000 0.000 0.265 103 G HA3 0.060 4.020 3.960 -0.000 0.000 0.265 103 G C -0.874 174.297 174.900 0.451 0.000 1.329 103 G CA -0.369 44.886 45.100 0.258 0.000 1.017 103 G HN 0.648 nan 8.290 nan 0.000 0.472 104 W N 2.311 123.848 121.300 0.395 0.000 2.417 104 W HA 0.443 5.102 4.660 -0.000 0.000 0.332 104 W C 0.776 177.378 176.519 0.138 0.000 1.413 104 W CA 1.169 58.662 57.345 0.246 0.000 1.299 104 W CB 0.331 29.883 29.460 0.155 0.000 1.304 104 W HN 1.131 nan 8.180 nan 0.000 0.565 105 G N 5.467 114.141 108.800 -0.209 0.000 3.342 105 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.252 105 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.252 105 G C -0.588 174.216 174.900 -0.161 0.000 1.011 105 G CA -0.380 44.677 45.100 -0.072 0.000 0.869 105 G HN 0.493 nan 8.290 nan 0.000 0.514 106 Y N 2.824 122.696 120.300 -0.714 0.000 2.712 106 Y HA 0.130 4.680 4.550 -0.000 0.000 0.333 106 Y C 2.014 177.879 175.900 -0.059 0.000 1.225 106 Y CA 0.213 58.034 58.100 -0.465 0.000 1.499 106 Y CB 1.332 39.332 38.460 -0.765 0.000 1.288 106 Y HN 0.129 nan 8.280 nan 0.000 0.575 107 S N 0.968 116.489 115.700 -0.298 0.000 2.515 107 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 107 S C 0.895 175.480 174.600 -0.025 0.000 0.987 107 S CA 0.759 58.874 58.200 -0.140 0.000 0.936 107 S CB -0.095 62.979 63.200 -0.210 0.000 0.766 107 S HN 0.507 nan 8.310 nan 0.000 0.528 108 S N 0.275 115.990 115.700 0.026 0.000 3.081 108 S HA 0.696 5.166 4.470 -0.000 0.000 0.316 108 S C -0.121 174.802 174.600 0.539 0.000 1.089 108 S CA -0.144 58.192 58.200 0.227 0.000 0.897 108 S CB 1.125 64.404 63.200 0.131 0.000 1.358 108 S HN 0.650 nan 8.310 nan 0.000 0.678 109 S N 0.651 116.596 115.700 0.409 0.000 2.681 109 S HA 0.403 4.873 4.470 -0.000 0.000 0.270 109 S C 1.077 175.928 174.600 0.419 0.000 1.209 109 S CA -0.400 58.010 58.200 0.350 0.000 0.988 109 S CB 0.566 63.864 63.200 0.164 0.000 1.006 109 S HN 0.654 nan 8.310 nan 0.000 0.558 110 L N 1.264 122.638 121.223 0.252 0.000 2.093 110 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 110 L C 2.296 179.265 176.870 0.165 0.000 1.085 110 L CA 1.531 56.512 54.840 0.235 0.000 0.755 110 L CB -0.888 41.244 42.059 0.122 0.000 0.904 110 L HN 0.671 nan 8.230 nan 0.000 0.435 111 V N 0.209 120.212 119.914 0.149 0.000 2.332 111 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 111 V C 2.805 179.002 176.094 0.172 0.000 1.055 111 V CA 1.714 64.101 62.300 0.145 0.000 1.038 111 V CB -1.282 30.609 31.823 0.112 0.000 0.651 111 V HN 0.631 nan 8.190 nan 0.000 0.450 112 A N -0.279 122.665 122.820 0.206 0.000 1.933 112 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 112 A C 2.409 180.146 177.584 0.256 0.000 1.175 112 A CA 1.953 54.133 52.037 0.238 0.000 0.628 112 A CB -0.676 18.498 19.000 0.291 0.000 0.814 112 A HN 0.572 nan 8.150 nan 0.000 0.444 113 A N 0.036 122.982 122.820 0.210 0.000 1.898 113 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 113 A C 2.093 179.685 177.584 0.012 0.000 1.181 113 A CA 1.474 53.513 52.037 0.002 0.000 0.620 113 A CB -0.576 18.198 19.000 -0.375 0.000 0.819 113 A HN 0.499 nan 8.150 nan 0.000 0.442 114 I N -0.154 120.428 120.570 0.019 0.000 2.315 114 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 114 I C 1.783 177.840 176.117 -0.099 0.000 1.117 114 I CA 1.291 62.555 61.300 -0.060 0.000 1.404 114 I CB -0.514 37.447 38.000 -0.065 0.000 1.071 114 I HN 0.231 nan 8.210 nan 0.000 0.419 115 D N 0.684 121.118 120.400 0.056 0.000 2.123 115 D HA -0.153 4.486 4.640 -0.000 0.000 0.196 115 D C 2.218 178.557 176.300 0.064 0.000 0.992 115 D CA 1.675 55.751 54.000 0.127 0.000 0.833 115 D CB -0.378 40.529 40.800 0.178 0.000 0.954 115 D HN 0.267 nan 8.370 nan 0.000 0.455 116 T N 0.210 114.810 114.554 0.077 0.000 2.746 116 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 116 T C 2.270 176.979 174.700 0.015 0.000 1.039 116 T CA 0.862 63.006 62.100 0.072 0.000 1.142 116 T CB -0.571 68.384 68.868 0.146 0.000 0.866 116 T HN 0.224 nan 8.240 nan 0.000 0.444 117 c N 0.920 119.523 118.600 0.005 0.000 2.398 117 c HA -0.061 4.509 4.570 -0.000 0.000 0.276 117 c C 2.863 176.885 174.090 -0.114 0.000 1.222 117 c CA 0.532 56.845 56.329 -0.026 0.000 1.746 117 c CB -1.129 41.360 42.510 -0.037 0.000 2.039 117 c HN 0.374 nan 8.230 nan 0.000 0.470 118 V N 1.498 121.350 119.914 -0.104 0.000 2.283 118 V HA -0.144 3.976 4.120 -0.000 0.000 0.243 118 V C 2.160 178.217 176.094 -0.063 0.000 1.039 118 V CA 2.049 64.300 62.300 -0.082 0.000 1.016 118 V CB -0.692 31.098 31.823 -0.056 0.000 0.650 118 V HN 0.516 nan 8.190 nan 0.000 0.449 119 N N 0.270 118.955 118.700 -0.026 0.000 2.171 119 N HA -0.086 4.653 4.740 -0.000 0.000 0.184 119 N C 2.013 177.480 175.510 -0.073 0.000 1.021 119 N CA 1.757 54.793 53.050 -0.023 0.000 0.854 119 N CB -0.247 38.251 38.487 0.018 0.000 0.994 119 N HN 0.380 nan 8.380 nan 0.000 0.426 120 S N -0.501 115.137 115.700 -0.103 0.000 2.421 120 S HA 0.107 4.577 4.470 -0.000 0.000 0.224 120 S C 1.874 176.233 174.600 -0.401 0.000 1.035 120 S CA 0.676 58.785 58.200 -0.153 0.000 0.953 120 S CB 0.112 63.284 63.200 -0.048 0.000 0.810 120 S HN 0.488 nan 8.310 nan 0.000 0.497 121 G N 0.179 108.606 108.800 -0.621 0.000 2.744 121 G HA2 0.392 4.351 3.960 -0.000 0.000 0.211 121 G HA3 0.392 4.351 3.960 -0.000 0.000 0.211 121 G C 0.962 175.597 174.900 -0.440 0.000 1.146 121 G CA 0.277 44.764 45.100 -1.021 0.000 0.787 121 G HN 0.758 nan 8.290 nan 0.000 0.534 122 G N -0.222 108.419 108.800 -0.265 0.000 2.198 122 G HA2 0.093 4.053 3.960 -0.000 0.000 0.260 122 G HA3 0.093 4.053 3.960 -0.000 0.000 0.260 122 G C 0.544 175.357 174.900 -0.145 0.000 1.025 122 G CA 0.366 45.366 45.100 -0.167 0.000 0.769 122 G HN 1.356 nan 8.290 nan 0.000 0.507 123 A N -0.831 121.906 122.820 -0.138 0.000 2.511 123 A HA 0.559 4.879 4.320 -0.000 0.000 0.242 123 A C 1.061 178.608 177.584 -0.061 0.000 1.069 123 A CA 1.085 53.069 52.037 -0.089 0.000 0.763 123 A CB 0.145 19.109 19.000 -0.060 0.000 1.001 123 A HN 0.584 nan 8.150 nan 0.000 0.498 124 N N 0.038 118.696 118.700 -0.069 0.000 2.454 124 N HA 0.192 4.932 4.740 -0.000 0.000 0.177 124 N C -0.621 174.994 175.510 0.175 0.000 1.049 124 N CA 0.284 53.288 53.050 -0.077 0.000 0.887 124 N CB 0.621 38.844 38.487 -0.441 0.000 1.095 124 N HN 0.397 nan 8.380 nan 0.000 0.446 125 V N 1.414 121.416 119.914 0.146 0.000 2.588 125 V HA 0.438 4.558 4.120 -0.000 0.000 0.304 125 V C -0.774 175.389 176.094 0.116 0.000 1.042 125 V CA -0.823 61.605 62.300 0.214 0.000 0.877 125 V CB 2.353 34.323 31.823 0.245 0.000 0.996 125 V HN -0.239 nan 8.190 nan 0.000 0.425 126 V N 3.231 123.211 119.914 0.111 0.000 2.407 126 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 126 V C 0.078 176.224 176.094 0.088 0.000 1.018 126 V CA -0.302 62.040 62.300 0.070 0.000 0.842 126 V CB 1.875 33.717 31.823 0.032 0.000 0.996 126 V HN 0.920 nan 8.190 nan 0.000 0.426 127 T N 6.890 121.495 114.554 0.085 0.000 2.771 127 T HA 0.704 5.054 4.350 -0.000 0.000 0.281 127 T C -0.480 174.286 174.700 0.110 0.000 0.982 127 T CA -0.390 61.770 62.100 0.100 0.000 0.978 127 T CB 0.452 69.379 68.868 0.097 0.000 0.930 127 T HN 0.576 nan 8.240 nan 0.000 0.447 128 M N 4.185 123.861 119.600 0.128 0.000 1.999 128 M HA 0.298 4.778 4.480 -0.000 0.000 0.299 128 M C 0.105 176.516 176.300 0.186 0.000 0.900 128 M CA -0.464 54.930 55.300 0.156 0.000 0.904 128 M CB 1.774 34.462 32.600 0.146 0.000 1.477 128 M HN 0.371 nan 8.290 nan 0.000 0.403 129 S N 4.736 120.576 115.700 0.233 0.000 4.120 129 S HA 0.497 4.967 4.470 -0.000 0.000 0.196 129 S C -0.531 174.238 174.600 0.282 0.000 1.447 129 S CA -0.528 57.833 58.200 0.268 0.000 0.939 129 S CB -0.868 62.537 63.200 0.341 0.000 1.496 129 S HN 0.549 nan 8.310 nan 0.000 0.460 130 L N -1.933 119.429 121.223 0.231 0.000 2.671 130 L HA 1.066 5.406 4.340 -0.000 0.000 0.259 130 L C -0.510 176.467 176.870 0.178 0.000 1.021 130 L CA -0.808 54.175 54.840 0.239 0.000 0.871 130 L CB 1.012 43.335 42.059 0.440 0.000 1.472 130 L HN 0.153 nan 8.230 nan 0.000 0.410 131 G N -1.530 107.364 108.800 0.156 0.000 2.616 131 G HA2 0.699 4.659 3.960 -0.000 0.000 0.294 131 G HA3 0.699 4.659 3.960 -0.000 0.000 0.294 131 G C -1.428 173.527 174.900 0.092 0.000 1.489 131 G CA -0.090 45.074 45.100 0.106 0.000 0.836 131 G HN 1.062 nan 8.290 nan 0.000 0.527 132 G N -1.029 107.826 108.800 0.091 0.000 2.605 132 G HA2 0.624 4.584 3.960 -0.000 0.000 0.296 132 G HA3 0.624 4.584 3.960 -0.000 0.000 0.296 132 G C 0.905 175.883 174.900 0.130 0.000 1.304 132 G CA 0.622 45.769 45.100 0.078 0.000 0.941 132 G HN 1.446 nan 8.290 nan 0.000 0.475 133 S N -0.524 115.239 115.700 0.106 0.000 2.446 133 S HA 0.214 4.684 4.470 -0.000 0.000 0.225 133 S C 1.351 176.055 174.600 0.172 0.000 1.016 133 S CA 0.569 58.859 58.200 0.150 0.000 0.943 133 S CB -0.064 63.184 63.200 0.080 0.000 0.786 133 S HN 0.988 nan 8.310 nan 0.000 0.508 134 G N 1.306 110.140 108.800 0.056 0.000 2.507 134 G HA2 0.507 4.467 3.960 -0.000 0.000 0.271 134 G HA3 0.507 4.467 3.960 -0.000 0.000 0.271 134 G C -0.504 174.224 174.900 -0.287 0.000 1.189 134 G CA -0.122 44.936 45.100 -0.070 0.000 0.859 134 G HN 0.656 nan 8.290 nan 0.000 0.542 135 S N -1.020 114.428 115.700 -0.419 0.000 2.546 135 S HA 0.839 5.309 4.470 -0.000 0.000 0.274 135 S C -0.438 174.047 174.600 -0.190 0.000 1.121 135 S CA -0.371 57.489 58.200 -0.565 0.000 0.887 135 S CB 2.066 64.506 63.200 -1.267 0.000 1.094 135 S HN 1.352 nan 8.310 nan 0.000 0.474 136 T N -2.058 112.476 114.554 -0.033 0.000 2.864 136 T HA 0.557 4.907 4.350 -0.000 0.000 0.299 136 T C 0.704 175.379 174.700 -0.042 0.000 1.166 136 T CA -0.496 61.582 62.100 -0.038 0.000 1.007 136 T CB 1.130 69.978 68.868 -0.035 0.000 1.219 136 T HN 0.448 nan 8.240 nan 0.000 0.506 137 T N 1.159 115.684 114.554 -0.050 0.000 2.812 137 T HA -0.036 4.314 4.350 -0.000 0.000 0.264 137 T C 2.060 176.708 174.700 -0.087 0.000 1.042 137 T CA 1.927 63.989 62.100 -0.062 0.000 1.140 137 T CB -0.731 68.112 68.868 -0.041 0.000 0.870 137 T HN 0.812 nan 8.240 nan 0.000 0.445 138 T N 1.722 116.236 114.554 -0.067 0.000 2.720 138 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 138 T C 1.922 176.566 174.700 -0.093 0.000 1.037 138 T CA 1.529 63.591 62.100 -0.063 0.000 1.144 138 T CB -0.231 68.615 68.868 -0.037 0.000 0.864 138 T HN 0.538 nan 8.240 nan 0.000 0.444 139 E N 0.759 120.890 120.200 -0.115 0.000 2.047 139 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 139 E C 2.461 178.811 176.600 -0.416 0.000 0.987 139 E CA 0.689 56.987 56.400 -0.170 0.000 0.799 139 E CB -0.037 29.619 29.700 -0.073 0.000 0.752 139 E HN 0.307 nan 8.360 nan 0.000 0.449 140 R N 0.444 120.591 120.500 -0.588 0.000 2.091 140 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 140 R C 1.878 177.980 176.300 -0.330 0.000 1.136 140 R CA 2.127 57.786 56.100 -0.735 0.000 0.959 140 R CB -0.273 29.790 30.300 -0.394 0.000 0.856 140 R HN 0.274 nan 8.270 nan 0.000 0.437 141 N N -0.375 118.209 118.700 -0.194 0.000 2.142 141 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 141 N C 1.804 177.258 175.510 -0.092 0.000 1.023 141 N CA 0.922 53.907 53.050 -0.108 0.000 0.852 141 N CB -0.117 38.324 38.487 -0.077 0.000 0.998 141 N HN 0.272 nan 8.380 nan 0.000 0.424 142 A N 0.974 123.736 122.820 -0.098 0.000 1.902 142 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 142 A C 2.011 179.588 177.584 -0.012 0.000 1.181 142 A CA 1.216 53.213 52.037 -0.067 0.000 0.623 142 A CB -0.532 18.454 19.000 -0.024 0.000 0.818 142 A HN 0.106 nan 8.150 nan 0.000 0.443 143 L N 0.139 121.357 121.223 -0.008 0.000 2.156 143 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 143 L C 2.175 179.110 176.870 0.109 0.000 1.095 143 L CA 1.699 56.592 54.840 0.088 0.000 0.770 143 L CB -0.875 41.187 42.059 0.005 0.000 0.914 143 L HN 0.590 nan 8.230 nan 0.000 0.439 144 N N -1.295 117.425 118.700 0.033 0.000 2.244 144 N HA -0.170 4.570 4.740 -0.000 0.000 0.183 144 N C 1.481 177.065 175.510 0.123 0.000 1.016 144 N CA 1.387 54.501 53.050 0.107 0.000 0.866 144 N CB 0.257 38.772 38.487 0.047 0.000 0.980 144 N HN 0.304 nan 8.380 nan 0.000 0.430 145 T N -0.649 113.923 114.554 0.030 0.000 2.737 145 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 145 T C 1.329 176.032 174.700 0.005 0.000 1.038 145 T CA 1.188 63.271 62.100 -0.027 0.000 1.144 145 T CB -0.424 68.366 68.868 -0.130 0.000 0.866 145 T HN 0.398 nan 8.240 nan 0.000 0.434 146 H N -0.877 118.243 119.070 0.084 0.000 2.353 146 H HA -0.067 4.489 4.556 -0.000 0.000 0.300 146 H C 2.088 177.508 175.328 0.153 0.000 1.090 146 H CA 1.700 57.809 56.048 0.101 0.000 1.327 146 H CB -0.137 29.686 29.762 0.102 0.000 1.383 146 H HN 0.301 nan 8.280 nan 0.000 0.508 147 Y N 1.802 122.204 120.300 0.170 0.000 2.114 147 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 147 Y C 1.948 177.903 175.900 0.093 0.000 1.143 147 Y CA 1.415 59.587 58.100 0.120 0.000 1.135 147 Y CB -0.414 38.100 38.460 0.090 0.000 0.980 147 Y HN 0.176 nan 8.280 nan 0.000 0.499 148 N N 0.518 119.206 118.700 -0.020 0.000 2.381 148 N HA -0.156 4.584 4.740 -0.000 0.000 0.182 148 N C 1.012 176.481 175.510 -0.069 0.000 1.025 148 N CA 1.093 54.064 53.050 -0.133 0.000 0.888 148 N CB -0.454 38.011 38.487 -0.036 0.000 0.965 148 N HN 0.432 nan 8.380 nan 0.000 0.438 149 N N 0.091 118.796 118.700 0.009 0.000 2.515 149 N HA 0.013 4.753 4.740 -0.000 0.000 0.185 149 N C 1.042 176.585 175.510 0.056 0.000 1.109 149 N CA 0.763 53.833 53.050 0.034 0.000 0.903 149 N CB 0.211 38.737 38.487 0.065 0.000 0.969 149 N HN 0.380 nan 8.380 nan 0.000 0.450 150 G N -1.150 107.678 108.800 0.047 0.000 2.154 150 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.186 150 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.186 150 G C -0.394 174.656 174.900 0.250 0.000 1.000 150 G CA -0.167 45.002 45.100 0.116 0.000 0.664 150 G HN 0.132 nan 8.290 nan 0.000 0.513 151 V N 1.574 121.632 119.914 0.240 0.000 2.370 151 V HA 0.628 4.748 4.120 -0.000 0.000 0.279 151 V C 0.531 176.836 176.094 0.351 0.000 1.029 151 V CA -0.825 61.648 62.300 0.289 0.000 0.870 151 V CB 1.559 33.504 31.823 0.202 0.000 0.984 151 V HN 0.395 nan 8.190 nan 0.000 0.451 152 L N 7.297 128.749 121.223 0.381 0.000 2.313 152 L HA 0.440 4.780 4.340 -0.000 0.000 0.282 152 L C -0.429 176.576 176.870 0.225 0.000 1.092 152 L CA 0.547 55.569 54.840 0.305 0.000 0.831 152 L CB 0.352 42.547 42.059 0.227 0.000 1.159 152 L HN 0.504 nan 8.230 nan 0.000 0.442 153 L N 6.929 128.254 121.223 0.170 0.000 2.307 153 L HA 0.577 4.917 4.340 -0.000 0.000 0.284 153 L C -0.550 176.365 176.870 0.074 0.000 1.023 153 L CA -0.432 54.473 54.840 0.109 0.000 0.810 153 L CB 1.430 43.542 42.059 0.090 0.000 1.231 153 L HN 0.538 nan 8.230 nan 0.000 0.423 154 I N 2.468 123.091 120.570 0.089 0.000 2.569 154 I HA 0.772 4.942 4.170 -0.000 0.000 0.290 154 I C -0.428 175.746 176.117 0.095 0.000 1.088 154 I CA -0.394 60.956 61.300 0.083 0.000 1.047 154 I CB 2.206 40.263 38.000 0.094 0.000 1.237 154 I HN 0.717 nan 8.210 nan 0.000 0.421 155 A N 3.882 126.755 122.820 0.088 0.000 2.566 155 A HA 0.930 5.250 4.320 -0.000 0.000 0.292 155 A C -0.975 176.665 177.584 0.093 0.000 1.112 155 A CA -0.682 51.415 52.037 0.099 0.000 0.707 155 A CB 1.617 20.675 19.000 0.096 0.000 1.302 155 A HN 0.784 nan 8.150 nan 0.000 0.409 156 A N 0.052 122.938 122.820 0.109 0.000 2.363 156 A HA 0.581 4.901 4.320 -0.000 0.000 0.270 156 A C 1.200 178.830 177.584 0.077 0.000 1.121 156 A CA 0.287 52.391 52.037 0.111 0.000 0.800 156 A CB 0.220 19.305 19.000 0.141 0.000 1.052 156 A HN 2.155 nan 8.150 nan 0.000 0.493 157 A N 1.926 124.793 122.820 0.079 0.000 2.066 157 A HA 0.460 4.780 4.320 -0.000 0.000 0.218 157 A C 1.410 179.020 177.584 0.043 0.000 1.157 157 A CA 1.462 53.525 52.037 0.044 0.000 0.670 157 A CB -0.837 18.199 19.000 0.061 0.000 0.804 157 A HN 2.808 nan 8.150 nan 0.000 0.453 158 G N -1.415 107.439 108.800 0.090 0.000 2.587 158 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.686 158 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.686 158 G C -0.605 174.388 174.900 0.155 0.000 1.236 158 G CA -0.206 44.945 45.100 0.085 0.000 0.820 158 G HN 0.244 nan 8.290 nan 0.000 0.645 159 N N 0.208 118.986 118.700 0.131 0.000 2.328 159 N HA 0.338 5.078 4.740 -0.000 0.000 0.247 159 N C 1.576 177.191 175.510 0.174 0.000 1.165 159 N CA 0.517 53.695 53.050 0.214 0.000 0.873 159 N CB 1.159 39.623 38.487 -0.038 0.000 1.125 159 N HN 0.958 nan 8.380 nan 0.000 0.513 160 A N 0.334 123.225 122.820 0.118 0.000 2.206 160 A HA 0.294 4.614 4.320 -0.000 0.000 0.211 160 A C 1.651 179.302 177.584 0.112 0.000 1.158 160 A CA 0.763 52.851 52.037 0.084 0.000 0.761 160 A CB -0.449 18.570 19.000 0.031 0.000 0.801 160 A HN 0.327 nan 8.150 nan 0.000 0.473 161 G N 0.124 109.024 108.800 0.167 0.000 2.198 161 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 161 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 161 G C -0.205 174.812 174.900 0.195 0.000 1.025 161 G CA 0.954 46.170 45.100 0.194 0.000 0.769 161 G HN 0.980 nan 8.290 nan 0.000 0.507 162 D N -2.396 118.050 120.400 0.077 0.000 2.837 162 D HA 0.633 5.273 4.640 -0.000 0.000 0.294 162 D C 1.033 176.959 176.300 -0.624 0.000 1.158 162 D CA 0.191 54.145 54.000 -0.076 0.000 1.073 162 D CB 0.018 40.772 40.800 -0.076 0.000 1.419 162 D HN 0.465 nan 8.370 nan 0.000 0.584 163 S N -1.400 113.819 115.700 -0.803 0.000 2.597 163 S HA 0.212 4.682 4.470 -0.000 0.000 0.224 163 S C 0.379 174.587 174.600 -0.655 0.000 0.955 163 S CA -0.113 57.481 58.200 -1.010 0.000 0.933 163 S CB -1.140 61.545 63.200 -0.858 0.000 0.788 163 S HN 0.648 nan 8.310 nan 0.000 0.488 164 S N 1.053 116.493 115.700 -0.433 0.000 2.579 164 S HA 0.374 4.844 4.470 -0.000 0.000 0.275 164 S C -0.610 173.775 174.600 -0.359 0.000 1.345 164 S CA -0.472 57.530 58.200 -0.330 0.000 1.031 164 S CB -0.282 62.831 63.200 -0.146 0.000 0.892 164 S HN 0.347 nan 8.310 nan 0.000 0.529 165 Y N 1.234 121.437 120.300 -0.162 0.000 2.336 165 Y HA 0.476 5.026 4.550 -0.000 0.000 0.335 165 Y C 0.965 176.633 175.900 -0.387 0.000 1.046 165 Y CA -0.297 57.612 58.100 -0.318 0.000 1.198 165 Y CB 1.149 39.397 38.460 -0.354 0.000 1.182 165 Y HN 0.788 nan 8.280 nan 0.000 0.502 166 S N 3.746 119.272 115.700 -0.290 0.000 2.475 166 S HA 0.605 5.075 4.470 -0.000 0.000 0.298 166 S C -1.329 172.967 174.600 -0.507 0.000 1.119 166 S CA -0.463 57.598 58.200 -0.232 0.000 1.085 166 S CB 0.218 63.363 63.200 -0.092 0.000 1.028 166 S HN 0.460 nan 8.310 nan 0.000 0.489 167 Y N 3.844 124.079 120.300 -0.108 0.000 2.487 167 Y HA 0.435 4.985 4.550 -0.000 0.000 0.337 167 Y C -1.331 174.538 175.900 -0.052 0.000 1.076 167 Y CA -2.015 55.950 58.100 -0.224 0.000 1.115 167 Y CB 1.405 39.623 38.460 -0.402 0.000 1.235 167 Y HN 0.505 nan 8.280 nan 0.000 0.468 168 P HA -0.104 nan 4.420 nan 0.000 0.237 168 P C 0.918 178.246 177.300 0.048 0.000 1.178 168 P CA 1.303 64.525 63.100 0.203 0.000 0.766 168 P CB 0.106 32.005 31.700 0.331 0.000 0.876 169 A N 0.947 123.740 122.820 -0.045 0.000 1.958 169 A HA -0.168 4.152 4.320 -0.000 0.000 0.221 169 A C 2.274 179.769 177.584 -0.149 0.000 1.178 169 A CA 2.086 54.084 52.037 -0.064 0.000 0.642 169 A CB -1.504 17.463 19.000 -0.055 0.000 0.816 169 A HN 0.255 nan 8.150 nan 0.000 0.453 170 S N -1.515 113.938 115.700 -0.412 0.000 2.650 170 S HA 0.180 4.650 4.470 -0.000 0.000 0.219 170 S C 0.012 174.466 174.600 -0.243 0.000 0.960 170 S CA -0.250 57.675 58.200 -0.459 0.000 0.925 170 S CB -0.373 62.285 63.200 -0.902 0.000 0.775 170 S HN 0.571 nan 8.310 nan 0.000 0.525 171 Y N 1.656 121.974 120.300 0.030 0.000 2.301 171 Y HA 0.120 4.670 4.550 -0.000 0.000 0.328 171 Y C 1.387 177.273 175.900 -0.023 0.000 1.242 171 Y CA -0.871 57.269 58.100 0.068 0.000 1.323 171 Y CB 0.547 39.064 38.460 0.096 0.000 1.266 171 Y HN 0.057 nan 8.280 nan 0.000 0.527 172 D N 0.125 120.614 120.400 0.149 0.000 2.264 172 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 172 D C 1.745 177.990 176.300 -0.091 0.000 0.966 172 D CA 1.446 55.464 54.000 0.030 0.000 0.864 172 D CB -0.015 40.810 40.800 0.042 0.000 0.933 172 D HN 0.533 nan 8.370 nan 0.000 0.499 173 S N -0.457 115.183 115.700 -0.101 0.000 2.603 173 S HA 0.099 4.569 4.470 -0.000 0.000 0.220 173 S C 0.673 175.019 174.600 -0.423 0.000 0.967 173 S CA -0.310 57.657 58.200 -0.388 0.000 0.920 173 S CB 0.313 63.452 63.200 -0.103 0.000 0.773 173 S HN -0.119 nan 8.310 nan 0.000 0.529 174 V N 2.150 121.967 119.914 -0.161 0.000 2.680 174 V HA 0.429 4.549 4.120 -0.000 0.000 0.309 174 V C -0.231 175.829 176.094 -0.055 0.000 1.052 174 V CA -0.925 61.332 62.300 -0.071 0.000 0.908 174 V CB 1.844 33.706 31.823 0.064 0.000 1.001 174 V HN 0.403 nan 8.190 nan 0.000 0.431 175 M N 2.962 122.546 119.600 -0.026 0.000 2.146 175 M HA 0.250 4.730 4.480 -0.000 0.000 0.352 175 M C 0.343 176.660 176.300 0.028 0.000 1.343 175 M CA 0.360 55.664 55.300 0.007 0.000 1.115 175 M CB 1.112 33.730 32.600 0.030 0.000 1.657 175 M HN 0.673 nan 8.290 nan 0.000 0.471 176 S N 3.714 119.428 115.700 0.023 0.000 2.439 176 S HA 0.408 4.878 4.470 -0.000 0.000 0.282 176 S C -0.493 174.135 174.600 0.048 0.000 1.170 176 S CA -0.755 57.460 58.200 0.024 0.000 1.054 176 S CB 0.274 63.475 63.200 0.002 0.000 0.956 176 S HN 0.489 nan 8.310 nan 0.000 0.490 177 V N 5.131 125.086 119.914 0.068 0.000 2.394 177 V HA 0.702 4.822 4.120 -0.000 0.000 0.282 177 V C 0.658 176.814 176.094 0.104 0.000 1.031 177 V CA -0.619 61.734 62.300 0.089 0.000 0.881 177 V CB 0.897 32.783 31.823 0.105 0.000 0.982 177 V HN 1.009 nan 8.190 nan 0.000 0.451 178 A N 4.053 126.936 122.820 0.105 0.000 2.281 178 A HA 0.951 5.271 4.320 -0.000 0.000 0.329 178 A C 0.087 177.743 177.584 0.121 0.000 1.122 178 A CA -0.302 51.810 52.037 0.124 0.000 0.850 178 A CB 1.251 20.331 19.000 0.134 0.000 1.207 178 A HN 1.247 nan 8.150 nan 0.000 0.495 179 A N 0.057 122.934 122.820 0.095 0.000 2.330 179 A HA 0.695 5.015 4.320 -0.000 0.000 0.327 179 A C -0.203 177.365 177.584 -0.028 0.000 1.155 179 A CA -0.094 51.984 52.037 0.069 0.000 0.803 179 A CB 0.714 19.811 19.000 0.162 0.000 1.208 179 A HN 2.139 nan 8.150 nan 0.000 0.477 180 V N 0.032 119.981 119.914 0.058 0.000 3.040 180 V HA 0.818 4.938 4.120 -0.000 0.000 0.312 180 V C -0.594 175.596 176.094 0.161 0.000 1.115 180 V CA -0.819 61.517 62.300 0.060 0.000 0.998 180 V CB 1.825 33.720 31.823 0.120 0.000 1.042 180 V HN 0.955 nan 8.190 nan 0.000 0.433 181 D N 1.021 121.459 120.400 0.064 0.000 2.539 181 D HA 0.304 4.944 4.640 -0.000 0.000 0.276 181 D C 1.304 177.383 176.300 -0.368 0.000 1.206 181 D CA 0.104 54.091 54.000 -0.022 0.000 1.081 181 D CB 0.815 41.547 40.800 -0.113 0.000 1.142 181 D HN 0.846 nan 8.370 nan 0.000 0.595 182 S N -1.487 113.556 115.700 -1.095 0.000 2.595 182 S HA -0.162 4.308 4.470 -0.000 0.000 0.235 182 S C 0.964 175.354 174.600 -0.349 0.000 0.974 182 S CA 0.713 58.020 58.200 -1.490 0.000 0.942 182 S CB -0.728 61.357 63.200 -1.858 0.000 0.766 182 S HN 0.548 nan 8.310 nan 0.000 0.536 183 N N 0.726 119.318 118.700 -0.181 0.000 2.187 183 N HA 0.311 5.051 4.740 -0.000 0.000 0.212 183 N C 0.332 175.865 175.510 0.039 0.000 1.152 183 N CA -0.100 52.936 53.050 -0.022 0.000 0.872 183 N CB -0.369 38.084 38.487 -0.057 0.000 1.025 183 N HN 0.399 nan 8.380 nan 0.000 0.514 184 L N -0.725 120.547 121.223 0.080 0.000 4.291 184 L HA -0.234 4.106 4.340 -0.000 0.000 0.413 184 L C -0.964 175.944 176.870 0.063 0.000 1.162 184 L CA 0.511 55.423 54.840 0.119 0.000 0.961 184 L CB -1.517 40.617 42.059 0.125 0.000 2.095 184 L HN 0.281 nan 8.230 nan 0.000 0.838 185 D N -0.042 120.369 120.400 0.019 0.000 2.302 185 D HA 0.112 4.752 4.640 -0.000 0.000 0.248 185 D C 0.506 176.811 176.300 0.008 0.000 1.094 185 D CA -0.184 53.820 54.000 0.008 0.000 0.897 185 D CB 0.818 41.601 40.800 -0.028 0.000 1.200 185 D HN 0.162 nan 8.370 nan 0.000 0.429 186 H N 0.923 119.951 119.070 -0.070 0.000 2.964 186 H HA 0.146 4.702 4.556 -0.000 0.000 0.328 186 H C -0.669 174.555 175.328 -0.173 0.000 1.030 186 H CA -0.463 55.523 56.048 -0.103 0.000 1.445 186 H CB 0.663 30.363 29.762 -0.103 0.000 1.449 186 H HN 0.338 nan 8.280 nan 0.000 0.581 187 A N 4.355 126.686 122.820 -0.814 0.000 2.492 187 A HA 0.331 4.651 4.320 -0.000 0.000 0.254 187 A C 1.443 178.351 177.584 -1.126 0.000 1.091 187 A CA 0.211 51.676 52.037 -0.955 0.000 0.768 187 A CB -0.096 18.117 19.000 -1.312 0.000 1.028 187 A HN 0.963 nan 8.150 nan 0.000 0.498 188 A N 2.796 125.248 122.820 -0.614 0.000 1.986 188 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 188 A C 1.592 179.065 177.584 -0.185 0.000 1.171 188 A CA 2.017 53.877 52.037 -0.295 0.000 0.640 188 A CB -0.874 18.063 19.000 -0.105 0.000 0.811 188 A HN 1.483 nan 8.150 nan 0.000 0.451 189 F N -1.317 118.603 119.950 -0.050 0.000 2.615 189 F HA 0.311 4.838 4.527 -0.000 0.000 0.297 189 F C 1.075 176.895 175.800 0.033 0.000 1.124 189 F CA 0.278 58.290 58.000 0.021 0.000 1.451 189 F CB -0.608 38.419 39.000 0.046 0.000 1.103 189 F HN 0.027 nan 8.300 nan 0.000 0.569 190 S N 1.925 117.471 115.700 -0.257 0.000 2.481 190 S HA 0.043 4.513 4.470 -0.000 0.000 0.282 190 S C 0.121 174.873 174.600 0.253 0.000 1.243 190 S CA -0.436 57.786 58.200 0.038 0.000 1.078 190 S CB -0.115 62.967 63.200 -0.197 0.000 0.916 190 S HN 0.452 nan 8.310 nan 0.000 0.495 191 Q N 3.155 123.078 119.800 0.206 0.000 2.315 191 Q HA 0.102 4.442 4.340 -0.000 0.000 0.289 191 Q C -0.817 175.258 176.000 0.125 0.000 1.044 191 Q CA 0.417 56.283 55.803 0.104 0.000 0.920 191 Q CB 0.290 29.014 28.738 -0.023 0.000 1.214 191 Q HN 0.750 nan 8.270 nan 0.000 0.392 192 Y N -0.539 119.750 120.300 -0.017 0.000 2.328 192 Y HA 0.672 5.222 4.550 -0.000 0.000 0.337 192 Y C -0.237 175.583 175.900 -0.132 0.000 0.966 192 Y CA -1.000 57.053 58.100 -0.078 0.000 1.136 192 Y CB 0.997 39.378 38.460 -0.132 0.000 1.170 192 Y HN 0.529 nan 8.280 nan 0.000 0.470 193 T N -1.256 113.237 114.554 -0.102 0.000 2.812 193 T HA 0.267 4.617 4.350 -0.000 0.000 0.294 193 T C -0.104 174.580 174.700 -0.026 0.000 1.159 193 T CA -0.553 61.444 62.100 -0.171 0.000 1.008 193 T CB 1.447 70.172 68.868 -0.238 0.000 1.289 193 T HN 0.595 nan 8.240 nan 0.000 0.514 194 D N -0.443 119.980 120.400 0.038 0.000 2.363 194 D HA 0.011 4.651 4.640 -0.000 0.000 0.226 194 D C 1.351 177.684 176.300 0.054 0.000 1.020 194 D CA 0.365 54.394 54.000 0.048 0.000 0.892 194 D CB 0.023 40.867 40.800 0.073 0.000 0.900 194 D HN 0.406 nan 8.370 nan 0.000 0.531 195 Q N 0.168 120.024 119.800 0.094 0.000 2.373 195 Q HA 0.121 4.461 4.340 -0.000 0.000 0.210 195 Q C 0.476 176.479 176.000 0.005 0.000 0.913 195 Q CA 0.039 55.873 55.803 0.050 0.000 0.911 195 Q CB 0.624 29.401 28.738 0.064 0.000 1.040 195 Q HN 0.203 nan 8.270 nan 0.000 0.521 196 V N 2.734 122.647 119.914 -0.002 0.000 2.583 196 V HA -0.163 3.957 4.120 -0.000 0.000 0.302 196 V C 1.428 177.493 176.094 -0.049 0.000 1.033 196 V CA 1.066 63.360 62.300 -0.010 0.000 1.194 196 V CB 0.317 32.138 31.823 -0.003 0.000 0.879 196 V HN 0.352 nan 8.190 nan 0.000 0.482 197 E N 4.115 124.308 120.200 -0.012 0.000 2.364 197 E HA 0.383 4.733 4.350 -0.000 0.000 0.203 197 E C 0.305 176.947 176.600 0.070 0.000 0.888 197 E CA -0.036 56.367 56.400 0.005 0.000 0.989 197 E CB 0.801 30.545 29.700 0.073 0.000 0.985 197 E HN 0.690 nan 8.360 nan 0.000 0.499 198 I N -0.429 120.185 120.570 0.074 0.000 3.066 198 I HA 0.250 4.420 4.170 -0.000 0.000 0.307 198 I C -1.557 174.612 176.117 0.086 0.000 1.366 198 I CA -0.622 60.738 61.300 0.100 0.000 0.972 198 I CB 2.327 40.396 38.000 0.115 0.000 1.307 198 I HN -0.146 nan 8.210 nan 0.000 0.470 199 S N 1.661 117.416 115.700 0.091 0.000 2.568 199 S HA 0.937 5.407 4.470 -0.000 0.000 0.302 199 S C -0.438 174.215 174.600 0.089 0.000 1.082 199 S CA -0.469 57.787 58.200 0.094 0.000 1.009 199 S CB 1.854 65.114 63.200 0.099 0.000 1.069 199 S HN 0.899 nan 8.310 nan 0.000 0.500 200 G N 0.826 109.671 108.800 0.075 0.000 2.690 200 G HA2 0.643 4.603 3.960 -0.000 0.000 0.291 200 G HA3 0.643 4.603 3.960 -0.000 0.000 0.291 200 G C -3.507 171.352 174.900 -0.069 0.000 1.403 200 G CA -1.725 43.381 45.100 0.010 0.000 0.864 200 G HN 0.373 nan 8.290 nan 0.000 0.480 201 P HA 0.219 nan 4.420 nan 0.000 0.262 201 P C 0.638 177.823 177.300 -0.192 0.000 1.199 201 P CA 0.560 63.373 63.100 -0.478 0.000 0.763 201 P CB 1.100 31.905 31.700 -1.490 0.000 0.790 202 G N 1.968 110.846 108.800 0.130 0.000 3.815 202 G HA2 0.118 4.078 3.960 -0.000 0.000 0.265 202 G HA3 0.118 4.078 3.960 -0.000 0.000 0.265 202 G C -0.204 174.922 174.900 0.376 0.000 1.026 202 G CA 0.126 45.373 45.100 0.245 0.000 0.868 202 G HN 0.422 nan 8.290 nan 0.000 0.476 203 E N 0.675 121.115 120.200 0.399 0.000 2.199 203 E HA 0.579 4.929 4.350 -0.000 0.000 0.265 203 E C 0.235 177.092 176.600 0.429 0.000 0.882 203 E CA -0.013 56.609 56.400 0.371 0.000 0.759 203 E CB 1.380 31.222 29.700 0.236 0.000 1.148 203 E HN 0.910 nan 8.360 nan 0.000 0.412 204 A N 4.938 127.972 122.820 0.357 0.000 2.475 204 A HA -0.132 4.188 4.320 -0.000 0.000 0.295 204 A C -0.525 177.459 177.584 0.668 0.000 1.457 204 A CA 0.610 52.926 52.037 0.464 0.000 0.734 204 A CB -1.806 17.355 19.000 0.268 0.000 1.118 204 A HN 0.397 nan 8.150 nan 0.000 0.400 205 I N 1.393 122.235 120.570 0.453 0.000 2.307 205 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 205 I C 0.277 176.429 176.117 0.059 0.000 1.021 205 I CA -0.812 60.625 61.300 0.228 0.000 1.224 205 I CB 1.060 39.199 38.000 0.232 0.000 1.376 205 I HN 0.549 nan 8.210 nan 0.000 0.470 206 L N 6.601 127.629 121.223 -0.326 0.000 2.331 206 L HA 0.569 4.909 4.340 -0.000 0.000 0.278 206 L C 0.180 176.791 176.870 -0.431 0.000 1.106 206 L CA 0.973 55.429 54.840 -0.640 0.000 0.824 206 L CB 1.118 42.611 42.059 -0.944 0.000 1.142 206 L HN 0.725 nan 8.230 nan 0.000 0.443 207 S N 1.544 116.939 115.700 -0.508 0.000 2.703 207 S HA 0.604 5.074 4.470 -0.000 0.000 0.273 207 S C -0.887 173.460 174.600 -0.423 0.000 1.178 207 S CA -0.094 57.715 58.200 -0.651 0.000 0.838 207 S CB 0.868 63.265 63.200 -1.338 0.000 1.178 207 S HN 0.937 nan 8.310 nan 0.000 0.494 208 T N 0.433 114.728 114.554 -0.433 0.000 2.918 208 T HA 0.608 4.958 4.350 -0.000 0.000 0.302 208 T C 0.327 174.763 174.700 -0.440 0.000 1.045 208 T CA -0.019 61.770 62.100 -0.518 0.000 1.114 208 T CB 0.408 68.774 68.868 -0.836 0.000 0.965 208 T HN 1.405 nan 8.240 nan 0.000 0.540 209 V N -1.175 118.558 119.914 -0.302 0.000 3.130 209 V HA 0.668 4.788 4.120 -0.000 0.000 0.310 209 V C 0.082 176.148 176.094 -0.046 0.000 1.158 209 V CA -1.355 60.867 62.300 -0.130 0.000 1.029 209 V CB 1.239 33.046 31.823 -0.026 0.000 1.057 209 V HN 0.988 nan 8.190 nan 0.000 0.436 210 T N 1.998 116.550 114.554 -0.002 0.000 2.891 210 T HA 0.174 4.524 4.350 -0.000 0.000 0.296 210 T C 0.398 175.097 174.700 -0.003 0.000 1.025 210 T CA 0.161 62.269 62.100 0.012 0.000 1.149 210 T CB 0.230 69.111 68.868 0.022 0.000 1.007 210 T HN 0.872 nan 8.240 nan 0.000 0.528 211 V N 4.159 124.054 119.914 -0.031 0.000 2.644 211 V HA 0.188 4.308 4.120 -0.000 0.000 0.303 211 V C 1.742 177.799 176.094 -0.063 0.000 1.058 211 V CA 1.554 63.789 62.300 -0.108 0.000 1.228 211 V CB -0.409 31.328 31.823 -0.144 0.000 0.861 211 V HN 1.297 nan 8.190 nan 0.000 0.484 212 G N 3.706 112.469 108.800 -0.062 0.000 2.205 212 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.261 212 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.261 212 G C 0.515 175.421 174.900 0.010 0.000 0.980 212 G CA 0.434 45.521 45.100 -0.022 0.000 0.632 212 G HN 0.732 nan 8.290 nan 0.000 0.533 213 E N 0.424 120.636 120.200 0.020 0.000 2.474 213 E HA 0.326 4.676 4.350 -0.000 0.000 0.195 213 E C 1.732 178.383 176.600 0.084 0.000 1.039 213 E CA 0.165 56.596 56.400 0.052 0.000 0.881 213 E CB 0.496 30.232 29.700 0.060 0.000 0.970 213 E HN 0.534 nan 8.360 nan 0.000 0.486 214 G N 1.073 109.919 108.800 0.077 0.000 2.543 214 G HA2 0.453 4.413 3.960 -0.000 0.000 0.290 214 G HA3 0.453 4.413 3.960 -0.000 0.000 0.290 214 G C -0.443 174.541 174.900 0.139 0.000 1.310 214 G CA -0.425 44.748 45.100 0.122 0.000 1.025 214 G HN 0.006 nan 8.290 nan 0.000 0.502 215 R N -1.176 119.433 120.500 0.183 0.000 2.594 215 R HA 0.544 4.884 4.340 -0.000 0.000 0.265 215 R C -1.614 174.832 176.300 0.242 0.000 1.070 215 R CA -0.572 55.639 56.100 0.184 0.000 0.909 215 R CB 1.388 31.786 30.300 0.163 0.000 1.243 215 R HN 0.458 nan 8.270 nan 0.000 0.455 216 L N 1.565 122.931 121.223 0.238 0.000 2.322 216 L HA 0.926 5.266 4.340 -0.000 0.000 0.252 216 L C -0.810 176.205 176.870 0.241 0.000 1.055 216 L CA -1.033 53.993 54.840 0.311 0.000 0.849 216 L CB 2.308 44.609 42.059 0.404 0.000 1.446 216 L HN 0.823 nan 8.230 nan 0.000 0.416 217 A N 0.118 123.093 122.820 0.259 0.000 2.566 217 A HA 0.831 5.151 4.320 -0.000 0.000 0.292 217 A C -1.994 175.735 177.584 0.241 0.000 1.112 217 A CA -0.312 51.825 52.037 0.167 0.000 0.707 217 A CB 2.144 21.173 19.000 0.048 0.000 1.302 217 A HN 0.631 nan 8.150 nan 0.000 0.409 218 D N -0.708 119.800 120.400 0.180 0.000 2.623 218 D HA 0.606 5.246 4.640 -0.000 0.000 0.241 218 D C -1.695 174.695 176.300 0.149 0.000 1.241 218 D CA -0.125 54.011 54.000 0.227 0.000 0.788 218 D CB 1.508 42.457 40.800 0.248 0.000 1.413 218 D HN 0.451 nan 8.370 nan 0.000 0.429 219 I N 1.392 122.077 120.570 0.192 0.000 2.534 219 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 219 I C -0.611 175.675 176.117 0.282 0.000 1.077 219 I CA -0.443 60.971 61.300 0.190 0.000 1.051 219 I CB 2.372 40.452 38.000 0.132 0.000 1.234 219 I HN 0.121 nan 8.210 nan 0.000 0.425 220 T N 6.913 121.583 114.554 0.193 0.000 2.861 220 T HA 0.712 5.062 4.350 -0.000 0.000 0.287 220 T C -0.461 174.318 174.700 0.133 0.000 1.003 220 T CA -0.426 61.759 62.100 0.143 0.000 0.977 220 T CB 1.680 70.595 68.868 0.078 0.000 0.996 220 T HN 0.287 nan 8.240 nan 0.000 0.448 221 I N 1.342 121.975 120.570 0.105 0.000 2.607 221 I HA 0.485 4.655 4.170 -0.000 0.000 0.290 221 I C 0.806 176.939 176.117 0.027 0.000 1.129 221 I CA -0.819 60.536 61.300 0.091 0.000 1.042 221 I CB 2.052 40.156 38.000 0.173 0.000 1.242 221 I HN 0.896 nan 8.210 nan 0.000 0.421 222 G N 3.926 112.739 108.800 0.022 0.000 2.273 222 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.280 222 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.280 222 G C 1.016 175.909 174.900 -0.011 0.000 1.047 222 G CA 0.683 45.785 45.100 0.003 0.000 0.869 222 G HN 1.706 nan 8.290 nan 0.000 0.502 223 G N -2.263 106.534 108.800 -0.005 0.000 2.189 223 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.267 223 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.267 223 G C 0.355 175.238 174.900 -0.028 0.000 0.975 223 G CA 1.325 46.418 45.100 -0.011 0.000 0.644 223 G HN 1.104 nan 8.290 nan 0.000 0.537 224 Q N 0.033 119.802 119.800 -0.051 0.000 2.257 224 Q HA 0.663 5.003 4.340 -0.000 0.000 0.262 224 Q C -0.154 175.775 176.000 -0.118 0.000 0.997 224 Q CA -0.177 55.568 55.803 -0.097 0.000 0.873 224 Q CB 1.867 30.516 28.738 -0.148 0.000 1.312 224 Q HN 0.304 nan 8.270 nan 0.000 0.450 225 S N 0.594 116.231 115.700 -0.106 0.000 2.509 225 S HA 0.413 4.883 4.470 -0.000 0.000 0.297 225 S C -0.428 174.124 174.600 -0.079 0.000 1.118 225 S CA -0.332 57.849 58.200 -0.031 0.000 1.074 225 S CB 0.421 63.656 63.200 0.057 0.000 1.038 225 S HN 0.525 nan 8.310 nan 0.000 0.498 226 Y N 3.418 123.776 120.300 0.097 0.000 2.468 226 Y HA 0.230 4.780 4.550 -0.000 0.000 0.268 226 Y C 1.182 177.146 175.900 0.106 0.000 1.177 226 Y CA -0.364 57.781 58.100 0.075 0.000 1.265 226 Y CB -0.279 38.199 38.460 0.030 0.000 1.103 226 Y HN 0.871 nan 8.280 nan 0.000 0.522 227 F N 1.228 121.260 119.950 0.135 0.000 2.087 227 F HA -0.370 4.157 4.527 -0.000 0.000 0.299 227 F C 2.598 178.469 175.800 0.119 0.000 1.100 227 F CA 2.119 60.188 58.000 0.114 0.000 1.226 227 F CB -0.380 38.661 39.000 0.070 0.000 0.983 227 F HN 0.104 nan 8.300 nan 0.000 0.479 228 S N -0.453 115.420 115.700 0.289 0.000 2.474 228 S HA -0.173 4.297 4.470 -0.000 0.000 0.235 228 S C 1.506 176.173 174.600 0.111 0.000 0.997 228 S CA 1.330 59.643 58.200 0.189 0.000 0.949 228 S CB -0.812 62.493 63.200 0.175 0.000 0.766 228 S HN 0.504 nan 8.310 nan 0.000 0.517 229 N N 1.687 120.455 118.700 0.113 0.000 2.409 229 N HA 0.301 5.041 4.740 -0.000 0.000 0.179 229 N C 0.677 176.209 175.510 0.037 0.000 1.032 229 N CA 0.968 54.078 53.050 0.101 0.000 0.898 229 N CB -0.034 38.553 38.487 0.167 0.000 0.971 229 N HN 0.687 nan 8.380 nan 0.000 0.441 230 G N -0.332 108.457 108.800 -0.019 0.000 3.238 230 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.684 230 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.684 230 G C -1.205 173.590 174.900 -0.175 0.000 1.156 230 G CA -0.716 44.347 45.100 -0.061 0.000 1.048 230 G HN 0.061 nan 8.290 nan 0.000 0.462 231 V N 3.056 122.808 119.914 -0.269 0.000 2.409 231 V HA 0.592 4.712 4.120 -0.000 0.000 0.290 231 V C 0.481 176.340 176.094 -0.392 0.000 1.017 231 V CA -0.905 61.242 62.300 -0.254 0.000 0.841 231 V CB 1.840 33.596 31.823 -0.111 0.000 1.003 231 V HN 0.826 nan 8.190 nan 0.000 0.426 232 V N 7.948 127.587 119.914 -0.459 0.000 2.370 232 V HA 0.395 4.515 4.120 -0.000 0.000 0.279 232 V C -2.002 173.945 176.094 -0.245 0.000 1.029 232 V CA -1.869 60.133 62.300 -0.497 0.000 0.870 232 V CB 1.951 33.455 31.823 -0.531 0.000 0.984 232 V HN 0.695 nan 8.190 nan 0.000 0.451 233 P HA 0.099 nan 4.420 nan 0.000 0.276 233 P C -0.468 176.837 177.300 0.008 0.000 1.230 233 P CA -0.279 62.800 63.100 -0.035 0.000 0.776 233 P CB 0.443 32.176 31.700 0.056 0.000 0.888 234 H N 2.321 121.377 119.070 -0.022 0.000 3.107 234 H HA -0.024 4.532 4.556 -0.000 0.000 0.301 234 H C 0.948 176.269 175.328 -0.013 0.000 0.981 234 H CA 0.586 56.618 56.048 -0.027 0.000 1.443 234 H CB -0.599 29.152 29.762 -0.018 0.000 1.479 234 H HN 0.460 nan 8.280 nan 0.000 0.564 235 N N 4.380 123.145 118.700 0.108 0.000 2.744 235 N HA -0.032 4.708 4.740 -0.000 0.000 0.290 235 N C 0.110 175.649 175.510 0.049 0.000 1.206 235 N CA -0.309 52.767 53.050 0.044 0.000 1.119 235 N CB 0.186 38.633 38.487 -0.067 0.000 1.449 235 N HN 0.412 nan 8.380 nan 0.000 0.514 236 R N 3.589 124.119 120.500 0.051 0.000 2.389 236 R HA 0.252 4.591 4.340 -0.000 0.000 0.295 236 R C -0.864 175.450 176.300 0.025 0.000 1.075 236 R CA -0.021 56.089 56.100 0.017 0.000 1.005 236 R CB 0.541 30.859 30.300 0.029 0.000 0.987 236 R HN 0.438 nan 8.270 nan 0.000 0.452 237 L N 3.931 125.142 121.223 -0.019 0.000 2.386 237 L HA 0.505 4.845 4.340 -0.000 0.000 0.271 237 L C -0.259 176.653 176.870 0.070 0.000 0.993 237 L CA -0.892 53.944 54.840 -0.006 0.000 0.819 237 L CB 2.274 44.244 42.059 -0.147 0.000 1.294 237 L HN 0.815 nan 8.230 nan 0.000 0.414 238 T N -0.795 113.887 114.554 0.213 0.000 2.916 238 T HA 0.604 4.954 4.350 -0.000 0.000 0.292 238 T C -2.917 171.935 174.700 0.253 0.000 1.055 238 T CA -2.343 59.922 62.100 0.275 0.000 1.009 238 T CB 2.092 71.027 68.868 0.111 0.000 1.118 238 T HN 0.281 nan 8.240 nan 0.000 0.497 239 P HA 0.167 nan 4.420 nan 0.000 0.264 239 P C -0.346 176.851 177.300 -0.173 0.000 1.183 239 P CA 0.084 62.966 63.100 -0.363 0.000 0.763 239 P CB 0.732 32.238 31.700 -0.324 0.000 0.807 240 S N 2.086 117.669 115.700 -0.196 0.000 2.440 240 S HA 0.518 4.988 4.470 -0.000 0.000 0.142 240 S C 0.481 175.016 174.600 -0.109 0.000 1.578 240 S CA 0.350 58.488 58.200 -0.105 0.000 1.260 240 S CB -0.955 62.211 63.200 -0.056 0.000 1.407 240 S HN 0.936 nan 8.310 nan 0.000 0.392 241 G N 2.537 111.269 108.800 -0.114 0.000 2.552 241 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.267 241 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.267 241 G C 0.859 175.688 174.900 -0.117 0.000 1.174 241 G CA 0.438 45.481 45.100 -0.095 0.000 0.955 241 G HN 1.091 nan 8.290 nan 0.000 0.546 242 T N 0.472 114.969 114.554 -0.094 0.000 3.194 242 T HA 0.548 4.898 4.350 -0.000 0.000 0.251 242 T C 0.832 175.465 174.700 -0.111 0.000 1.132 242 T CA 1.955 64.000 62.100 -0.091 0.000 1.028 242 T CB -0.666 68.167 68.868 -0.059 0.000 0.976 242 T HN 1.345 nan 8.240 nan 0.000 0.535 243 S N -1.524 114.085 115.700 -0.152 0.000 3.003 243 S HA 0.629 5.099 4.470 -0.000 0.000 0.313 243 S C -2.210 172.228 174.600 -0.271 0.000 1.230 243 S CA -0.694 57.414 58.200 -0.154 0.000 0.977 243 S CB 0.488 63.651 63.200 -0.063 0.000 1.340 243 S HN 0.189 nan 8.310 nan 0.000 0.608 244 Y N 0.419 120.661 120.300 -0.097 0.000 2.485 244 Y HA 0.798 5.348 4.550 0.000 0.000 0.345 244 Y C 0.195 176.039 175.900 -0.093 0.000 0.998 244 Y CA -0.115 57.923 58.100 -0.103 0.000 1.059 244 Y CB 2.082 40.450 38.460 -0.153 0.000 1.234 244 Y HN 0.847 nan 8.280 nan 0.000 0.461 245 A N 3.491 126.382 122.820 0.118 0.000 2.498 245 A HA 0.727 5.047 4.320 -0.000 0.000 0.298 245 A C -2.990 174.630 177.584 0.059 0.000 1.075 245 A CA -2.051 50.018 52.037 0.052 0.000 0.714 245 A CB 1.423 20.436 19.000 0.022 0.000 1.299 245 A HN 0.424 nan 8.150 nan 0.000 0.407 246 P HA 0.285 nan 4.420 nan 0.000 0.264 246 P C -0.282 177.045 177.300 0.046 0.000 1.193 246 P CA 0.428 63.558 63.100 0.049 0.000 0.763 246 P CB 1.069 32.797 31.700 0.047 0.000 0.810 247 A N 5.224 128.074 122.820 0.049 0.000 3.355 247 A HA 0.416 4.736 4.320 -0.000 0.000 0.290 247 A C -2.333 175.279 177.584 0.046 0.000 0.973 247 A CA -1.349 50.715 52.037 0.044 0.000 0.933 247 A CB 0.320 19.347 19.000 0.045 0.000 1.138 247 A HN 0.360 nan 8.150 nan 0.000 0.490 248 P HA 0.175 nan 4.420 nan 0.000 0.268 248 P C -0.491 176.841 177.300 0.053 0.000 1.205 248 P CA 0.168 63.303 63.100 0.058 0.000 0.771 248 P CB 1.136 32.874 31.700 0.064 0.000 0.858 249 I N 3.754 124.359 120.570 0.058 0.000 2.306 249 I HA 0.192 4.362 4.170 -0.000 0.000 0.288 249 I C 0.295 176.444 176.117 0.053 0.000 1.036 249 I CA -0.407 60.923 61.300 0.051 0.000 1.221 249 I CB -0.016 38.015 38.000 0.050 0.000 1.385 249 I HN 0.218 nan 8.210 nan 0.000 0.472 250 N N 6.548 125.278 118.700 0.049 0.000 2.546 250 N HA 0.718 5.458 4.740 -0.000 0.000 0.238 250 N C -0.329 175.207 175.510 0.043 0.000 0.984 250 N CA -0.135 52.946 53.050 0.051 0.000 0.935 250 N CB 2.331 40.850 38.487 0.053 0.000 1.122 250 N HN 0.722 nan 8.380 nan 0.000 0.510 251 A N 0.840 123.685 122.820 0.042 0.000 2.511 251 A HA 0.753 5.073 4.320 -0.000 0.000 0.293 251 A C -1.079 176.527 177.584 0.037 0.000 1.098 251 A CA -0.578 51.480 52.037 0.036 0.000 0.643 251 A CB 0.951 19.969 19.000 0.031 0.000 1.302 251 A HN 0.303 nan 8.150 nan 0.000 0.446 252 S N -0.864 114.856 115.700 0.032 0.000 2.566 252 S HA 0.881 5.351 4.470 -0.000 0.000 0.298 252 S C -0.401 174.215 174.600 0.027 0.000 1.083 252 S CA 0.099 58.318 58.200 0.033 0.000 0.978 252 S CB 1.752 64.972 63.200 0.033 0.000 1.073 252 S HN 1.965 nan 8.310 nan 0.000 0.491 253 A N 1.676 124.512 122.820 0.027 0.000 2.486 253 A HA 0.819 5.139 4.320 -0.000 0.000 0.300 253 A C -0.775 176.823 177.584 0.024 0.000 1.048 253 A CA -0.681 51.370 52.037 0.023 0.000 0.696 253 A CB 1.540 20.552 19.000 0.021 0.000 1.278 253 A HN 0.593 nan 8.150 nan 0.000 0.405 254 T N 0.552 115.119 114.554 0.022 0.000 2.886 254 T HA 0.849 5.199 4.350 -0.000 0.000 0.292 254 T C 0.002 174.713 174.700 0.020 0.000 1.012 254 T CA 0.031 62.145 62.100 0.023 0.000 0.982 254 T CB 1.864 70.746 68.868 0.023 0.000 1.018 254 T HN 1.875 nan 8.240 nan 0.000 0.451 255 G N 0.666 109.478 108.800 0.020 0.000 2.356 255 G HA2 0.609 4.569 3.960 -0.000 0.000 0.294 255 G HA3 0.609 4.569 3.960 -0.000 0.000 0.294 255 G C -1.285 173.627 174.900 0.019 0.000 1.423 255 G CA -0.393 44.717 45.100 0.018 0.000 0.806 255 G HN 0.899 nan 8.290 nan 0.000 0.527 256 A N -0.366 122.464 122.820 0.017 0.000 2.511 256 A HA 0.529 4.849 4.320 -0.000 0.000 0.242 256 A C 0.226 177.819 177.584 0.016 0.000 1.069 256 A CA -0.046 52.001 52.037 0.017 0.000 0.763 256 A CB 0.581 19.590 19.000 0.015 0.000 1.001 256 A HN 1.623 nan 8.150 nan 0.000 0.498 257 L N 2.590 123.822 121.223 0.016 0.000 2.360 257 L HA 0.547 4.887 4.340 -0.000 0.000 0.276 257 L C 0.331 177.208 176.870 0.012 0.000 1.121 257 L CA 0.833 55.679 54.840 0.011 0.000 0.845 257 L CB 0.530 42.592 42.059 0.005 0.000 1.143 257 L HN 0.872 nan 8.230 nan 0.000 0.452 258 A N 4.826 127.655 122.820 0.015 0.000 2.449 258 A HA 0.640 4.960 4.320 -0.000 0.000 0.302 258 A C -1.056 176.549 177.584 0.034 0.000 1.048 258 A CA -0.669 51.381 52.037 0.022 0.000 0.708 258 A CB 1.175 20.188 19.000 0.023 0.000 1.274 258 A HN 0.716 nan 8.150 nan 0.000 0.410 259 E N 0.793 121.019 120.200 0.044 0.000 2.179 259 E HA 0.449 4.799 4.350 -0.000 0.000 0.275 259 E C -1.026 175.625 176.600 0.085 0.000 0.945 259 E CA -0.555 55.889 56.400 0.074 0.000 0.792 259 E CB 1.552 31.302 29.700 0.082 0.000 1.125 259 E HN 0.716 nan 8.360 nan 0.000 0.397 260 c N 4.887 123.555 118.600 0.113 0.000 2.256 260 c HA 0.353 4.923 4.570 -0.000 0.000 0.333 260 c C 0.192 174.375 174.090 0.156 0.000 1.183 260 c CA -0.260 56.149 56.329 0.133 0.000 1.692 260 c CB -1.132 41.468 42.510 0.150 0.000 2.274 260 c HN 0.732 nan 8.230 nan 0.000 0.509 261 T N 5.230 119.850 114.554 0.110 0.000 2.916 261 T HA 0.227 4.577 4.350 -0.000 0.000 0.303 261 T C 0.060 174.778 174.700 0.030 0.000 1.025 261 T CA 0.027 62.170 62.100 0.071 0.000 1.142 261 T CB 0.663 69.556 68.868 0.042 0.000 0.947 261 T HN 0.560 nan 8.240 nan 0.000 0.544 262 V N 5.345 125.234 119.914 -0.041 0.000 2.347 262 V HA 0.334 4.454 4.120 -0.000 0.000 0.280 262 V C 0.012 176.005 176.094 -0.167 0.000 1.021 262 V CA -0.854 61.325 62.300 -0.203 0.000 0.847 262 V CB 1.023 32.697 31.823 -0.248 0.000 0.990 262 V HN 0.787 nan 8.190 nan 0.000 0.444 263 N N 4.520 123.104 118.700 -0.193 0.000 2.569 263 N HA 0.502 5.242 4.740 -0.000 0.000 0.254 263 N C 0.698 176.117 175.510 -0.152 0.000 1.004 263 N CA 0.613 53.586 53.050 -0.128 0.000 0.904 263 N CB 1.963 40.402 38.487 -0.079 0.000 1.165 263 N HN 0.913 nan 8.380 nan 0.000 0.513 264 G N 2.435 111.152 108.800 -0.137 0.000 2.595 264 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.297 264 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.297 264 G C 0.589 175.381 174.900 -0.180 0.000 1.181 264 G CA 1.023 46.047 45.100 -0.126 0.000 0.963 264 G HN 0.633 nan 8.290 nan 0.000 0.541 265 T N -1.672 112.775 114.554 -0.179 0.000 3.145 265 T HA 0.626 4.976 4.350 -0.000 0.000 0.281 265 T C 0.633 175.171 174.700 -0.270 0.000 1.003 265 T CA 1.144 63.118 62.100 -0.210 0.000 0.901 265 T CB 0.075 68.885 68.868 -0.097 0.000 1.112 265 T HN 1.842 nan 8.240 nan 0.000 0.535 266 S N 0.672 116.199 115.700 -0.287 0.000 2.638 266 S HA 0.820 5.290 4.470 -0.000 0.000 0.298 266 S C -0.977 173.406 174.600 -0.362 0.000 1.111 266 S CA -0.818 57.266 58.200 -0.192 0.000 1.027 266 S CB 0.901 64.066 63.200 -0.058 0.000 1.064 266 S HN 0.193 nan 8.310 nan 0.000 0.525 267 F N 0.760 120.704 119.950 -0.009 0.000 2.480 267 F HA 0.633 5.160 4.527 0.000 0.000 0.329 267 F C 0.818 176.617 175.800 -0.001 0.000 1.091 267 F CA -0.816 57.180 58.000 -0.007 0.000 0.972 267 F CB 2.254 41.250 39.000 -0.007 0.000 1.150 267 F HN 0.644 nan 8.300 nan 0.000 0.467 268 S N 1.401 117.205 115.700 0.173 0.000 2.080 268 S HA 0.274 4.744 4.470 -0.000 0.000 0.162 268 S C 0.379 175.041 174.600 0.103 0.000 1.618 268 S CA -0.516 57.746 58.200 0.104 0.000 1.200 268 S CB -0.376 62.858 63.200 0.057 0.000 1.135 268 S HN 0.818 nan 8.310 nan 0.000 0.455 269 c N 1.960 120.623 118.600 0.106 0.000 2.492 269 c HA 0.436 5.006 4.570 -0.000 0.000 0.279 269 c C 2.034 176.152 174.090 0.047 0.000 1.335 269 c CA 0.505 56.877 56.329 0.072 0.000 1.734 269 c CB -1.589 40.948 42.510 0.045 0.000 2.027 269 c HN 1.051 nan 8.230 nan 0.000 0.496 270 G N 0.899 109.724 108.800 0.041 0.000 2.512 270 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 270 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 270 G C -0.279 174.634 174.900 0.021 0.000 1.199 270 G CA 0.190 45.307 45.100 0.029 0.000 0.941 270 G HN 0.456 nan 8.290 nan 0.000 0.569 271 N N 1.130 119.840 118.700 0.018 0.000 2.457 271 N HA 0.439 5.179 4.740 -0.000 0.000 0.250 271 N C 1.180 176.698 175.510 0.013 0.000 0.982 271 N CA -0.571 52.487 53.050 0.013 0.000 0.941 271 N CB 0.737 39.231 38.487 0.012 0.000 1.120 271 N HN 0.383 nan 8.380 nan 0.000 0.505 272 M N 1.393 120.999 119.600 0.010 0.000 2.495 272 M HA 0.180 4.660 4.480 -0.000 0.000 0.237 272 M C 0.568 176.873 176.300 0.009 0.000 1.131 272 M CA -0.259 55.047 55.300 0.010 0.000 1.032 272 M CB -0.879 31.726 32.600 0.007 0.000 1.513 272 M HN 0.465 nan 8.290 nan 0.000 0.488 273 A N 2.081 124.906 122.820 0.008 0.000 2.567 273 A HA 0.035 4.355 4.320 -0.000 0.000 0.240 273 A C 0.956 178.545 177.584 0.009 0.000 1.053 273 A CA 0.349 52.391 52.037 0.007 0.000 0.755 273 A CB -0.238 18.767 19.000 0.007 0.000 0.978 273 A HN 0.707 nan 8.150 nan 0.000 0.507 274 N N -0.122 118.584 118.700 0.009 0.000 2.741 274 N HA -0.145 4.595 4.740 -0.000 0.000 0.251 274 N C -0.343 175.174 175.510 0.012 0.000 1.112 274 N CA 1.980 55.037 53.050 0.010 0.000 0.750 274 N CB -0.947 37.546 38.487 0.010 0.000 1.119 274 N HN 0.845 nan 8.380 nan 0.000 0.561 275 K N -0.072 120.335 120.400 0.012 0.000 2.444 275 K HA 0.534 4.854 4.320 -0.000 0.000 0.252 275 K C -0.189 176.419 176.600 0.013 0.000 0.993 275 K CA -0.888 55.407 56.287 0.013 0.000 0.847 275 K CB 1.754 34.262 32.500 0.014 0.000 1.340 275 K HN -0.162 nan 8.250 nan 0.000 0.446 276 I N 1.560 122.138 120.570 0.014 0.000 2.315 276 I HA 0.105 4.275 4.170 -0.000 0.000 0.291 276 I C 0.006 176.131 176.117 0.013 0.000 1.006 276 I CA -0.714 60.593 61.300 0.012 0.000 1.265 276 I CB 0.797 38.803 38.000 0.010 0.000 1.387 276 I HN 0.597 nan 8.210 nan 0.000 0.475 277 c N 8.577 127.186 118.600 0.015 0.000 2.246 277 c HA 0.479 5.049 4.570 -0.000 0.000 0.329 277 c C 0.067 174.180 174.090 0.039 0.000 1.221 277 c CA -0.633 55.711 56.329 0.025 0.000 1.697 277 c CB -0.364 42.156 42.510 0.018 0.000 2.312 277 c HN 0.626 nan 8.230 nan 0.000 0.509 278 L N 7.281 128.538 121.223 0.057 0.000 2.292 278 L HA 0.773 5.112 4.340 -0.000 0.000 0.284 278 L C -0.356 176.621 176.870 0.178 0.000 1.065 278 L CA 0.457 55.359 54.840 0.104 0.000 0.806 278 L CB 1.381 43.477 42.059 0.063 0.000 1.175 278 L HN 0.557 nan 8.230 nan 0.000 0.431 279 V N 5.392 125.437 119.914 0.219 0.000 2.777 279 V HA 0.377 4.497 4.120 -0.000 0.000 0.306 279 V C -0.600 175.423 176.094 -0.120 0.000 1.112 279 V CA -0.640 61.747 62.300 0.146 0.000 0.917 279 V CB 1.992 33.877 31.823 0.103 0.000 1.018 279 V HN 0.926 nan 8.190 nan 0.000 0.426 280 E N 5.325 125.280 120.200 -0.409 0.000 2.373 280 E HA 0.227 4.577 4.350 -0.000 0.000 0.267 280 E C 0.165 176.543 176.600 -0.371 0.000 1.032 280 E CA -0.515 55.296 56.400 -0.982 0.000 0.889 280 E CB 0.688 29.960 29.700 -0.714 0.000 0.984 280 E HN 0.691 nan 8.360 nan 0.000 0.425 281 R N 3.224 123.517 120.500 -0.344 0.000 2.489 281 R HA 0.108 4.448 4.340 -0.000 0.000 0.287 281 R C -1.139 175.113 176.300 -0.079 0.000 1.053 281 R CA -0.302 55.725 56.100 -0.123 0.000 1.036 281 R CB 0.564 30.806 30.300 -0.095 0.000 0.966 281 R HN 0.285 nan 8.270 nan 0.000 0.432 282 V N 5.593 125.515 119.914 0.014 0.000 2.328 282 V HA 0.521 4.641 4.120 -0.000 0.000 0.278 282 V C 0.706 176.803 176.094 0.005 0.000 1.021 282 V CA 0.531 62.833 62.300 0.003 0.000 0.838 282 V CB 0.470 32.339 31.823 0.076 0.000 0.999 282 V HN 1.158 nan 8.190 nan 0.000 0.447 283 G N 5.364 114.148 108.800 -0.027 0.000 2.685 283 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.387 283 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.387 283 G C -0.887 173.996 174.900 -0.029 0.000 1.324 283 G CA -0.379 44.706 45.100 -0.026 0.000 0.878 283 G HN 0.792 nan 8.290 nan 0.000 0.527 284 N N -0.873 117.807 118.700 -0.033 0.000 2.484 284 N HA 0.458 5.198 4.740 -0.000 0.000 0.269 284 N C -0.471 175.013 175.510 -0.043 0.000 1.237 284 N CA -0.703 52.328 53.050 -0.032 0.000 0.838 284 N CB 2.024 40.487 38.487 -0.040 0.000 1.593 284 N HN 0.891 nan 8.380 nan 0.000 0.485 285 Q N 0.597 120.384 119.800 -0.022 0.000 2.361 285 Q HA 0.420 4.760 4.340 -0.000 0.000 0.276 285 Q C 0.088 176.035 176.000 -0.088 0.000 1.022 285 Q CA 0.872 56.647 55.803 -0.047 0.000 0.898 285 Q CB 0.415 29.203 28.738 0.084 0.000 1.246 285 Q HN 0.828 nan 8.270 nan 0.000 0.410 286 G N 0.879 109.560 108.800 -0.199 0.000 2.445 286 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.104 286 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.104 286 G C 0.321 175.089 174.900 -0.220 0.000 0.958 286 G CA 0.203 45.217 45.100 -0.143 0.000 1.324 286 G HN 0.680 nan 8.290 nan 0.000 0.549 287 S N 0.201 115.797 115.700 -0.173 0.000 2.481 287 S HA 0.361 4.831 4.470 -0.000 0.000 0.231 287 S C 1.156 175.610 174.600 -0.244 0.000 0.996 287 S CA 1.439 59.545 58.200 -0.156 0.000 0.942 287 S CB -0.306 62.841 63.200 -0.088 0.000 0.768 287 S HN 1.781 nan 8.310 nan 0.000 0.520 288 S N -0.570 114.920 115.700 -0.350 0.000 2.794 288 S HA 0.697 5.167 4.470 -0.000 0.000 0.299 288 S C -1.741 172.484 174.600 -0.626 0.000 1.179 288 S CA -1.012 56.958 58.200 -0.385 0.000 0.838 288 S CB 0.497 63.614 63.200 -0.139 0.000 1.206 288 S HN 0.183 nan 8.310 nan 0.000 0.523 289 Y N 1.406 121.701 120.300 -0.009 0.000 2.787 289 Y HA 0.448 4.998 4.550 -0.000 0.000 0.352 289 Y C -1.945 173.939 175.900 -0.026 0.000 1.027 289 Y CA -1.711 56.385 58.100 -0.008 0.000 1.219 289 Y CB 1.497 39.938 38.460 -0.031 0.000 1.110 289 Y HN 0.557 nan 8.280 nan 0.000 0.614 290 P HA -0.031 nan 4.420 nan 0.000 0.249 290 P C 1.041 178.355 177.300 0.024 0.000 1.229 290 P CA 0.563 63.684 63.100 0.036 0.000 0.788 290 P CB 0.713 32.422 31.700 0.016 0.000 1.072 291 E N 0.961 121.173 120.200 0.020 0.000 2.147 291 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 291 E C 1.746 178.300 176.600 -0.076 0.000 1.005 291 E CA 0.893 57.271 56.400 -0.037 0.000 0.810 291 E CB -1.086 28.555 29.700 -0.100 0.000 0.736 291 E HN 0.132 nan 8.360 nan 0.000 0.460 292 I N 0.735 121.261 120.570 -0.073 0.000 2.454 292 I HA -0.255 3.915 4.170 -0.000 0.000 0.254 292 I C 1.402 177.475 176.117 -0.074 0.000 1.156 292 I CA 1.402 62.652 61.300 -0.082 0.000 1.433 292 I CB -0.396 37.567 38.000 -0.061 0.000 1.082 292 I HN 0.195 nan 8.210 nan 0.000 0.432 293 N N -0.575 118.102 118.700 -0.039 0.000 2.028 293 N HA -0.181 4.559 4.740 -0.000 0.000 0.194 293 N C 1.878 177.275 175.510 -0.188 0.000 1.050 293 N CA 1.721 54.745 53.050 -0.043 0.000 0.848 293 N CB -0.261 38.275 38.487 0.082 0.000 1.038 293 N HN 0.227 nan 8.380 nan 0.000 0.423 294 S N 0.002 115.657 115.700 -0.074 0.000 2.382 294 S HA -0.090 4.380 4.470 -0.000 0.000 0.228 294 S C 2.013 176.485 174.600 -0.214 0.000 1.027 294 S CA 1.191 59.295 58.200 -0.160 0.000 0.991 294 S CB -0.352 62.906 63.200 0.096 0.000 0.823 294 S HN 0.389 nan 8.310 nan 0.000 0.469 295 T N 1.821 116.311 114.554 -0.108 0.000 2.674 295 T HA -0.121 4.229 4.350 -0.000 0.000 0.265 295 T C 1.829 176.461 174.700 -0.114 0.000 1.039 295 T CA 1.342 63.403 62.100 -0.065 0.000 1.150 295 T CB -0.215 68.625 68.868 -0.048 0.000 0.864 295 T HN 0.382 nan 8.240 nan 0.000 0.427 296 K N 1.003 121.314 120.400 -0.148 0.000 2.148 296 K HA 0.025 4.345 4.320 -0.000 0.000 0.204 296 K C 2.503 178.980 176.600 -0.205 0.000 1.050 296 K CA 0.956 57.158 56.287 -0.141 0.000 0.942 296 K CB -0.302 32.128 32.500 -0.117 0.000 0.724 296 K HN 0.276 nan 8.250 nan 0.000 0.446 297 A N 0.929 123.522 122.820 -0.379 0.000 1.892 297 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 297 A C 2.426 179.859 177.584 -0.252 0.000 1.188 297 A CA 1.861 53.603 52.037 -0.492 0.000 0.631 297 A CB -1.144 17.133 19.000 -1.205 0.000 0.822 297 A HN 0.554 nan 8.150 nan 0.000 0.447 298 c N -1.183 117.300 118.600 -0.194 0.000 2.462 298 c HA -0.040 4.530 4.570 -0.000 0.000 0.278 298 c C 2.744 176.798 174.090 -0.059 0.000 1.253 298 c CA 1.540 57.818 56.329 -0.086 0.000 1.713 298 c CB -0.784 41.698 42.510 -0.047 0.000 2.049 298 c HN 0.727 nan 8.230 nan 0.000 0.477 299 K N 1.026 121.389 120.400 -0.061 0.000 2.009 299 K HA -0.151 4.169 4.320 -0.000 0.000 0.210 299 K C 1.844 178.421 176.600 -0.038 0.000 1.049 299 K CA 2.385 58.649 56.287 -0.038 0.000 0.929 299 K CB -0.959 31.519 32.500 -0.035 0.000 0.714 299 K HN 0.440 nan 8.250 nan 0.000 0.440 300 T N 0.317 114.838 114.554 -0.055 0.000 2.778 300 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 300 T C 1.680 176.362 174.700 -0.029 0.000 1.050 300 T CA 1.441 63.515 62.100 -0.043 0.000 1.137 300 T CB -0.472 68.362 68.868 -0.057 0.000 0.860 300 T HN 0.413 nan 8.240 nan 0.000 0.468 301 A N 0.254 123.054 122.820 -0.033 0.000 2.209 301 A HA 0.453 4.773 4.320 -0.000 0.000 0.212 301 A C 1.930 179.509 177.584 -0.008 0.000 1.158 301 A CA 1.027 53.055 52.037 -0.015 0.000 0.742 301 A CB -0.712 18.281 19.000 -0.012 0.000 0.790 301 A HN 0.808 nan 8.150 nan 0.000 0.472 302 G N -2.233 106.561 108.800 -0.010 0.000 2.134 302 G HA2 0.150 4.110 3.960 -0.000 0.000 0.209 302 G HA3 0.150 4.110 3.960 -0.000 0.000 0.209 302 G C 0.365 175.264 174.900 -0.001 0.000 0.993 302 G CA 0.172 45.270 45.100 -0.004 0.000 0.669 302 G HN 1.548 nan 8.290 nan 0.000 0.519 303 A N -0.153 122.665 122.820 -0.003 0.000 2.498 303 A HA 0.598 4.918 4.320 -0.000 0.000 0.239 303 A C 1.317 178.904 177.584 0.005 0.000 1.068 303 A CA 1.161 53.199 52.037 0.002 0.000 0.766 303 A CB 0.312 19.313 19.000 0.001 0.000 1.003 303 A HN 0.406 nan 8.150 nan 0.000 0.497 304 K N 1.240 121.645 120.400 0.009 0.000 2.284 304 K HA 0.150 4.470 4.320 -0.000 0.000 0.198 304 K C 0.810 177.418 176.600 0.014 0.000 1.048 304 K CA 0.920 57.214 56.287 0.012 0.000 0.987 304 K CB 0.409 32.916 32.500 0.013 0.000 0.800 304 K HN 0.789 nan 8.250 nan 0.000 0.486 305 G N 0.975 109.783 108.800 0.013 0.000 2.706 305 G HA2 0.615 4.575 3.960 -0.000 0.000 0.297 305 G HA3 0.615 4.575 3.960 -0.000 0.000 0.297 305 G C -1.329 173.577 174.900 0.010 0.000 1.403 305 G CA -0.643 44.465 45.100 0.013 0.000 0.954 305 G HN -0.031 nan 8.290 nan 0.000 0.500 306 I N 1.055 121.630 120.570 0.008 0.000 2.545 306 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 306 I C -0.722 175.384 176.117 -0.018 0.000 1.040 306 I CA -0.790 60.515 61.300 0.009 0.000 1.068 306 I CB 2.508 40.527 38.000 0.032 0.000 1.251 306 I HN 0.209 nan 8.210 nan 0.000 0.424 307 I N 6.345 126.911 120.570 -0.007 0.000 2.439 307 I HA 0.340 4.510 4.170 -0.000 0.000 0.283 307 I C -0.697 175.443 176.117 0.038 0.000 1.023 307 I CA -0.768 60.515 61.300 -0.028 0.000 1.100 307 I CB 1.847 39.823 38.000 -0.040 0.000 1.238 307 I HN 0.165 nan 8.210 nan 0.000 0.445 308 V N 7.056 126.974 119.914 0.006 0.000 2.407 308 V HA 0.325 4.445 4.120 -0.000 0.000 0.278 308 V C -0.565 175.571 176.094 0.071 0.000 1.037 308 V CA -0.563 61.766 62.300 0.048 0.000 0.900 308 V CB 0.963 32.837 31.823 0.085 0.000 0.983 308 V HN 0.559 nan 8.190 nan 0.000 0.459 309 Y N 1.920 122.198 120.300 -0.038 0.000 2.487 309 Y HA 0.768 5.318 4.550 -0.000 0.000 0.337 309 Y C 0.369 176.247 175.900 -0.036 0.000 1.076 309 Y CA -1.347 56.718 58.100 -0.057 0.000 1.115 309 Y CB 0.865 39.283 38.460 -0.070 0.000 1.235 309 Y HN 0.465 nan 8.280 nan 0.000 0.468 310 S N 2.657 118.387 115.700 0.051 0.000 2.563 310 S HA 0.059 4.529 4.470 -0.000 0.000 0.284 310 S C -0.098 174.470 174.600 -0.052 0.000 1.331 310 S CA -0.416 57.767 58.200 -0.028 0.000 1.047 310 S CB -0.336 62.855 63.200 -0.015 0.000 0.859 310 S HN 0.830 nan 8.310 nan 0.000 0.514 311 N N 0.377 119.024 118.700 -0.088 0.000 2.447 311 N HA 0.263 5.003 4.740 -0.000 0.000 0.271 311 N C 1.006 176.496 175.510 -0.033 0.000 1.226 311 N CA -0.329 52.673 53.050 -0.080 0.000 0.980 311 N CB 0.121 38.550 38.487 -0.096 0.000 1.206 311 N HN 0.427 nan 8.380 nan 0.000 0.558 312 S N -1.803 113.882 115.700 -0.025 0.000 2.447 312 S HA -0.113 4.357 4.470 -0.000 0.000 0.233 312 S C 1.773 176.356 174.600 -0.027 0.000 1.006 312 S CA 0.497 58.687 58.200 -0.017 0.000 0.957 312 S CB -0.970 62.222 63.200 -0.014 0.000 0.773 312 S HN 0.722 nan 8.310 nan 0.000 0.507 313 A N 1.494 124.293 122.820 -0.036 0.000 1.902 313 A HA 0.301 4.621 4.320 -0.000 0.000 0.217 313 A C 1.369 178.929 177.584 -0.040 0.000 1.181 313 A CA 0.906 52.920 52.037 -0.038 0.000 0.623 313 A CB -0.376 18.599 19.000 -0.043 0.000 0.818 313 A HN 0.572 nan 8.150 nan 0.000 0.443 314 L N 0.082 121.279 121.223 -0.044 0.000 2.480 314 L HA 0.242 4.582 4.340 -0.000 0.000 0.253 314 L C -1.931 174.907 176.870 -0.053 0.000 1.324 314 L CA -1.269 53.541 54.840 -0.051 0.000 0.916 314 L CB 2.092 44.119 42.059 -0.054 0.000 1.160 314 L HN 0.170 nan 8.230 nan 0.000 0.503 315 P HA -0.085 nan 4.420 nan 0.000 0.225 315 P C 0.891 178.147 177.300 -0.073 0.000 1.148 315 P CA 0.474 63.551 63.100 -0.039 0.000 0.779 315 P CB 0.343 32.028 31.700 -0.025 0.000 0.780 316 G N 0.825 109.558 108.800 -0.113 0.000 2.667 316 G HA2 0.234 4.193 3.960 -0.000 0.000 0.250 316 G HA3 0.234 4.193 3.960 -0.000 0.000 0.250 316 G C -0.607 174.171 174.900 -0.203 0.000 1.212 316 G CA -0.503 44.475 45.100 -0.203 0.000 0.874 316 G HN 0.193 nan 8.290 nan 0.000 0.561 317 L N 0.559 121.599 121.223 -0.305 0.000 2.477 317 L HA 0.228 4.568 4.340 -0.000 0.000 0.272 317 L C 0.014 176.797 176.870 -0.145 0.000 1.157 317 L CA 0.046 54.750 54.840 -0.227 0.000 0.889 317 L CB 0.552 42.445 42.059 -0.277 0.000 1.158 317 L HN 0.347 nan 8.230 nan 0.000 0.473 318 Q N 4.682 124.423 119.800 -0.099 0.000 2.266 318 Q HA 0.295 4.635 4.340 -0.000 0.000 0.261 318 Q C -0.564 175.405 176.000 -0.052 0.000 0.985 318 Q CA -0.179 55.594 55.803 -0.049 0.000 0.873 318 Q CB 1.550 30.270 28.738 -0.030 0.000 1.306 318 Q HN 0.727 nan 8.270 nan 0.000 0.447 319 N N 2.095 120.780 118.700 -0.026 0.000 2.813 319 N HA 0.219 4.959 4.740 -0.000 0.000 0.282 319 N C -2.445 173.000 175.510 -0.107 0.000 1.748 319 N CA -1.323 51.694 53.050 -0.056 0.000 0.860 319 N CB 1.076 39.550 38.487 -0.021 0.000 1.204 319 N HN 0.279 nan 8.380 nan 0.000 0.490 320 P HA 0.212 nan 4.420 nan 0.000 0.278 320 P C -0.688 176.521 177.300 -0.152 0.000 1.258 320 P CA -0.276 62.780 63.100 -0.073 0.000 0.811 320 P CB 0.986 32.712 31.700 0.043 0.000 1.063 321 F N 0.435 120.396 119.950 0.018 0.000 2.456 321 F HA 0.165 4.692 4.527 -0.000 0.000 0.358 321 F C 1.104 176.807 175.800 -0.162 0.000 1.095 321 F CA -0.423 57.505 58.000 -0.119 0.000 1.216 321 F CB 0.550 39.367 39.000 -0.306 0.000 1.125 321 F HN 0.074 nan 8.300 nan 0.000 0.549 322 L N 6.115 127.316 121.223 -0.038 0.000 2.407 322 L HA 0.373 4.713 4.340 -0.000 0.000 0.261 322 L C -0.699 176.073 176.870 -0.163 0.000 1.108 322 L CA -0.332 54.403 54.840 -0.176 0.000 0.995 322 L CB 0.047 41.915 42.059 -0.318 0.000 1.349 322 L HN 0.306 nan 8.230 nan 0.000 0.423 323 V N 3.670 123.459 119.914 -0.208 0.000 2.397 323 V HA 0.127 4.247 4.120 -0.000 0.000 0.262 323 V C 0.184 176.154 176.094 -0.207 0.000 1.047 323 V CA -0.156 61.916 62.300 -0.380 0.000 1.003 323 V CB 0.481 32.000 31.823 -0.507 0.000 1.037 323 V HN 0.588 nan 8.190 nan 0.000 0.480 324 D N 4.408 124.734 120.400 -0.124 0.000 2.505 324 D HA 0.496 5.136 4.640 -0.000 0.000 0.242 324 D C 0.976 177.341 176.300 0.108 0.000 1.136 324 D CA 0.057 54.051 54.000 -0.010 0.000 0.954 324 D CB 1.449 42.244 40.800 -0.008 0.000 1.002 324 D HN 0.493 nan 8.370 nan 0.000 0.512 325 A N 3.582 126.486 122.820 0.140 0.000 1.883 325 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 325 A C 1.661 179.304 177.584 0.098 0.000 1.186 325 A CA 1.341 53.500 52.037 0.204 0.000 0.624 325 A CB -0.329 18.768 19.000 0.161 0.000 0.822 325 A HN 0.645 nan 8.150 nan 0.000 0.444 326 N N -0.425 118.309 118.700 0.056 0.000 2.336 326 N HA 0.118 4.858 4.740 -0.000 0.000 0.189 326 N C -0.344 175.181 175.510 0.025 0.000 1.113 326 N CA 0.417 53.485 53.050 0.029 0.000 0.858 326 N CB 0.171 38.667 38.487 0.016 0.000 0.970 326 N HN 0.260 nan 8.380 nan 0.000 0.471 327 S N 0.879 116.601 115.700 0.036 0.000 3.682 327 S HA -0.131 4.339 4.470 -0.000 0.000 0.354 327 S C 0.232 174.841 174.600 0.015 0.000 1.034 327 S CA 0.428 58.645 58.200 0.028 0.000 1.084 327 S CB -0.991 62.224 63.200 0.026 0.000 0.903 327 S HN 0.473 nan 8.310 nan 0.000 0.470 328 D N 0.731 121.136 120.400 0.008 0.000 2.162 328 D HA 0.031 4.671 4.640 -0.000 0.000 0.203 328 D C 0.984 177.283 176.300 -0.001 0.000 0.967 328 D CA 0.554 54.553 54.000 -0.001 0.000 0.840 328 D CB 0.014 40.808 40.800 -0.010 0.000 0.972 328 D HN 0.466 nan 8.370 nan 0.000 0.482 329 I N 2.613 123.182 120.570 -0.002 0.000 2.349 329 I HA -0.001 4.169 4.170 -0.000 0.000 0.302 329 I C 1.229 177.356 176.117 0.017 0.000 1.180 329 I CA 0.491 61.795 61.300 0.005 0.000 1.405 329 I CB -0.943 37.059 38.000 0.003 0.000 1.474 329 I HN -0.111 nan 8.210 nan 0.000 0.632 330 T N 1.222 115.785 114.554 0.016 0.000 3.105 330 T HA 0.289 4.639 4.350 -0.000 0.000 0.253 330 T C 0.426 175.140 174.700 0.023 0.000 1.047 330 T CA -0.313 61.799 62.100 0.019 0.000 0.944 330 T CB -0.269 68.608 68.868 0.015 0.000 1.016 330 T HN 0.290 nan 8.240 nan 0.000 0.544 331 V N -1.892 118.037 119.914 0.025 0.000 3.019 331 V HA 0.778 4.898 4.120 -0.000 0.000 0.317 331 V C -2.958 173.158 176.094 0.037 0.000 1.094 331 V CA -3.190 59.126 62.300 0.027 0.000 1.000 331 V CB 1.688 33.524 31.823 0.021 0.000 1.060 331 V HN -0.068 nan 8.190 nan 0.000 0.443 332 P HA 0.260 nan 4.420 nan 0.000 0.276 332 P C -0.466 176.852 177.300 0.030 0.000 1.243 332 P CA 0.383 63.504 63.100 0.036 0.000 0.768 332 P CB 0.990 32.709 31.700 0.031 0.000 0.856 333 S N 2.373 118.098 115.700 0.041 0.000 2.548 333 S HA 0.766 5.236 4.470 -0.000 0.000 0.286 333 S C -0.164 174.312 174.600 -0.207 0.000 1.098 333 S CA -0.735 57.471 58.200 0.009 0.000 0.930 333 S CB 1.678 65.011 63.200 0.221 0.000 1.070 333 S HN 0.446 nan 8.310 nan 0.000 0.480 334 V N -1.248 118.431 119.914 -0.392 0.000 3.167 334 V HA 0.965 5.085 4.120 -0.000 0.000 0.310 334 V C -0.440 175.288 176.094 -0.610 0.000 1.207 334 V CA -0.708 61.286 62.300 -0.511 0.000 1.059 334 V CB 1.407 33.088 31.823 -0.236 0.000 1.079 334 V HN 1.096 nan 8.190 nan 0.000 0.446 335 S N 0.604 116.035 115.700 -0.448 0.000 2.500 335 S HA 0.876 5.346 4.470 -0.000 0.000 0.301 335 S C -0.747 173.735 174.600 -0.195 0.000 1.092 335 S CA 0.043 58.087 58.200 -0.262 0.000 1.030 335 S CB 1.203 64.304 63.200 -0.164 0.000 1.031 335 S HN 2.222 nan 8.310 nan 0.000 0.483 336 V N 1.617 121.460 119.914 -0.117 0.000 3.040 336 V HA 0.755 4.875 4.120 -0.000 0.000 0.312 336 V C -0.614 175.446 176.094 -0.057 0.000 1.115 336 V CA -1.191 61.043 62.300 -0.110 0.000 0.998 336 V CB 1.659 33.413 31.823 -0.116 0.000 1.042 336 V HN 0.894 nan 8.190 nan 0.000 0.433 337 D N 1.252 121.605 120.400 -0.078 0.000 2.371 337 D HA 0.182 4.822 4.640 -0.000 0.000 0.242 337 D C 1.085 177.390 176.300 0.008 0.000 1.218 337 D CA -0.215 53.749 54.000 -0.060 0.000 0.945 337 D CB 0.830 41.562 40.800 -0.114 0.000 1.137 337 D HN 0.713 nan 8.370 nan 0.000 0.464 338 R N 0.335 120.855 120.500 0.034 0.000 2.091 338 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 338 R C 2.056 178.368 176.300 0.020 0.000 1.136 338 R CA 1.780 57.944 56.100 0.107 0.000 0.959 338 R CB -0.644 29.706 30.300 0.083 0.000 0.856 338 R HN 0.605 nan 8.270 nan 0.000 0.437 339 A N -0.286 122.526 122.820 -0.013 0.000 1.908 339 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 339 A C 2.160 179.706 177.584 -0.063 0.000 1.181 339 A CA 2.111 54.130 52.037 -0.029 0.000 0.627 339 A CB -0.859 18.136 19.000 -0.009 0.000 0.818 339 A HN 0.468 nan 8.150 nan 0.000 0.445 340 T N -0.453 114.057 114.554 -0.072 0.000 2.821 340 T HA 0.004 4.354 4.350 -0.000 0.000 0.267 340 T C 1.929 176.483 174.700 -0.244 0.000 1.046 340 T CA 1.285 63.314 62.100 -0.119 0.000 1.139 340 T CB -0.484 68.318 68.868 -0.111 0.000 0.871 340 T HN 0.585 nan 8.240 nan 0.000 0.454 341 G N 1.257 109.886 108.800 -0.284 0.000 2.408 341 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.217 341 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.217 341 G C 1.433 175.876 174.900 -0.760 0.000 1.150 341 G CA 0.296 44.991 45.100 -0.675 0.000 0.776 341 G HN 0.441 nan 8.290 nan 0.000 0.542 342 L N 0.429 121.380 121.223 -0.454 0.000 2.217 342 L HA 0.086 4.426 4.340 -0.000 0.000 0.211 342 L C 3.256 180.014 176.870 -0.187 0.000 1.107 342 L CA 0.706 55.373 54.840 -0.288 0.000 0.783 342 L CB -0.260 41.717 42.059 -0.137 0.000 0.919 342 L HN 0.301 nan 8.230 nan 0.000 0.442 343 A N 0.209 122.936 122.820 -0.154 0.000 1.929 343 A HA -0.070 4.249 4.320 -0.000 0.000 0.216 343 A C 2.227 179.762 177.584 -0.082 0.000 1.176 343 A CA 0.932 52.928 52.037 -0.068 0.000 0.628 343 A CB -0.449 18.554 19.000 0.006 0.000 0.816 343 A HN 0.323 nan 8.150 nan 0.000 0.444 344 L N 0.114 121.221 121.223 -0.194 0.000 2.141 344 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 344 L C 2.526 179.314 176.870 -0.138 0.000 1.094 344 L CA 1.763 56.482 54.840 -0.201 0.000 0.763 344 L CB -0.406 41.457 42.059 -0.327 0.000 0.908 344 L HN 0.574 nan 8.230 nan 0.000 0.437 345 K N 0.304 120.602 120.400 -0.170 0.000 2.360 345 K HA -0.073 4.247 4.320 -0.000 0.000 0.201 345 K C 1.847 178.414 176.600 -0.055 0.000 1.046 345 K CA 1.175 57.397 56.287 -0.109 0.000 0.945 345 K CB -0.279 32.149 32.500 -0.120 0.000 0.750 345 K HN 0.196 nan 8.250 nan 0.000 0.464 346 A N 1.670 124.462 122.820 -0.045 0.000 2.119 346 A HA -0.000 4.320 4.320 -0.000 0.000 0.216 346 A C 1.344 178.929 177.584 0.001 0.000 1.152 346 A CA 0.628 52.656 52.037 -0.015 0.000 0.708 346 A CB 0.028 19.025 19.000 -0.006 0.000 0.805 346 A HN 0.115 nan 8.150 nan 0.000 0.460 347 K N 0.053 120.456 120.400 0.004 0.000 2.397 347 K HA 0.318 4.638 4.320 -0.000 0.000 0.202 347 K C -0.129 176.478 176.600 0.012 0.000 1.022 347 K CA -0.201 56.100 56.287 0.023 0.000 1.141 347 K CB -0.146 32.391 32.500 0.061 0.000 0.857 347 K HN 0.430 nan 8.250 nan 0.000 0.514 348 L N 0.672 121.894 121.223 -0.002 0.000 2.559 348 L HA -0.067 4.273 4.340 -0.000 0.000 0.282 348 L C 1.446 178.321 176.870 0.008 0.000 1.232 348 L CA 1.123 55.963 54.840 0.000 0.000 0.885 348 L CB -0.028 42.030 42.059 -0.002 0.000 1.131 348 L HN 0.593 nan 8.230 nan 0.000 0.498 349 G N 1.837 110.644 108.800 0.011 0.000 2.234 349 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.235 349 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.235 349 G C 0.283 175.193 174.900 0.016 0.000 0.997 349 G CA -0.297 44.810 45.100 0.013 0.000 0.623 349 G HN 0.584 nan 8.290 nan 0.000 0.514 350 Q N 0.760 120.571 119.800 0.019 0.000 2.306 350 Q HA 0.537 4.876 4.340 -0.000 0.000 0.241 350 Q C 0.497 176.513 176.000 0.027 0.000 0.948 350 Q CA 0.199 56.017 55.803 0.024 0.000 0.886 350 Q CB 1.347 30.104 28.738 0.032 0.000 1.227 350 Q HN 0.254 nan 8.270 nan 0.000 0.457 351 S N 1.143 116.859 115.700 0.026 0.000 2.525 351 S HA 0.097 4.567 4.470 -0.000 0.000 0.285 351 S C -0.704 173.919 174.600 0.038 0.000 1.283 351 S CA -0.022 58.194 58.200 0.027 0.000 1.072 351 S CB 0.053 63.267 63.200 0.023 0.000 0.867 351 S HN 0.495 nan 8.310 nan 0.000 0.492 352 T N 4.499 119.075 114.554 0.037 0.000 2.893 352 T HA 0.467 4.817 4.350 -0.000 0.000 0.293 352 T C -0.805 173.921 174.700 0.043 0.000 1.027 352 T CA -0.606 61.524 62.100 0.049 0.000 0.988 352 T CB 1.800 70.694 68.868 0.042 0.000 1.043 352 T HN 0.525 nan 8.240 nan 0.000 0.461 353 T N 2.472 117.060 114.554 0.055 0.000 2.786 353 T HA 0.554 4.904 4.350 -0.000 0.000 0.283 353 T C -0.331 174.402 174.700 0.055 0.000 0.992 353 T CA -0.473 61.656 62.100 0.048 0.000 0.954 353 T CB 0.942 69.838 68.868 0.047 0.000 0.934 353 T HN 0.345 nan 8.240 nan 0.000 0.440 354 V N 3.922 123.860 119.914 0.040 0.000 2.483 354 V HA 0.798 4.918 4.120 -0.000 0.000 0.295 354 V C -0.045 176.072 176.094 0.039 0.000 1.035 354 V CA -0.677 61.644 62.300 0.034 0.000 0.896 354 V CB 1.700 33.530 31.823 0.012 0.000 0.986 354 V HN 1.055 nan 8.190 nan 0.000 0.447 355 S N 3.129 118.859 115.700 0.050 0.000 2.546 355 S HA 0.579 5.049 4.470 -0.000 0.000 0.272 355 S C -1.145 173.495 174.600 0.066 0.000 1.140 355 S CA -0.962 57.272 58.200 0.056 0.000 0.920 355 S CB 1.380 64.618 63.200 0.064 0.000 1.083 355 S HN 0.687 nan 8.310 nan 0.000 0.476 356 N N 1.328 120.065 118.700 0.062 0.000 2.372 356 N HA 0.408 5.148 4.740 -0.000 0.000 0.285 356 N C -1.317 174.241 175.510 0.080 0.000 1.008 356 N CA -0.631 52.462 53.050 0.073 0.000 0.880 356 N CB 1.674 40.197 38.487 0.061 0.000 1.239 356 N HN 0.602 nan 8.380 nan 0.000 0.484 357 Q N 0.860 120.720 119.800 0.101 0.000 2.340 357 Q HA 0.462 4.802 4.340 -0.000 0.000 0.268 357 Q C -0.099 175.960 176.000 0.098 0.000 1.031 357 Q CA -0.960 54.898 55.803 0.092 0.000 0.804 357 Q CB 2.480 31.274 28.738 0.094 0.000 1.286 357 Q HN 0.588 nan 8.270 nan 0.000 0.448 358 G N 0.953 109.800 108.800 0.078 0.000 2.537 358 G HA2 0.172 4.132 3.960 -0.000 0.000 0.297 358 G HA3 0.172 4.132 3.960 -0.000 0.000 0.297 358 G C 0.090 175.030 174.900 0.067 0.000 1.310 358 G CA -0.541 44.605 45.100 0.077 0.000 1.027 358 G HN 0.881 nan 8.290 nan 0.000 0.505 359 N N -0.523 118.212 118.700 0.059 0.000 2.727 359 N HA -0.126 4.614 4.740 -0.000 0.000 0.249 359 N C 0.048 175.583 175.510 0.041 0.000 1.048 359 N CA 0.725 53.800 53.050 0.042 0.000 0.714 359 N CB -0.223 38.281 38.487 0.029 0.000 0.959 359 N HN 0.455 nan 8.380 nan 0.000 0.544 360 Q N -0.113 119.726 119.800 0.066 0.000 2.166 360 Q HA 0.281 4.621 4.340 -0.000 0.000 0.226 360 Q C 0.618 176.631 176.000 0.021 0.000 0.989 360 Q CA -0.107 55.744 55.803 0.079 0.000 0.966 360 Q CB 0.580 29.413 28.738 0.159 0.000 1.173 360 Q HN 0.101 nan 8.270 nan 0.000 0.509 361 D N -0.441 119.943 120.400 -0.026 0.000 2.440 361 D HA 0.180 4.820 4.640 -0.000 0.000 0.216 361 D C -0.507 175.467 176.300 -0.543 0.000 1.150 361 D CA 0.398 54.229 54.000 -0.282 0.000 0.832 361 D CB 0.450 40.937 40.800 -0.522 0.000 0.992 361 D HN 0.267 nan 8.370 nan 0.000 0.502 362 Y N 0.141 120.495 120.300 0.089 0.000 2.615 362 Y HA 0.516 5.066 4.550 -0.000 0.000 0.341 362 Y C -0.059 175.865 175.900 0.040 0.000 1.089 362 Y CA -1.084 57.030 58.100 0.023 0.000 1.049 362 Y CB 2.303 40.776 38.460 0.022 0.000 1.296 362 Y HN -0.332 nan 8.280 nan 0.000 0.470 363 E N 0.023 120.298 120.200 0.126 0.000 2.388 363 E HA 0.341 4.691 4.350 -0.000 0.000 0.281 363 E C -2.216 174.458 176.600 0.122 0.000 1.046 363 E CA -0.745 55.759 56.400 0.173 0.000 0.825 363 E CB 1.490 31.335 29.700 0.241 0.000 1.243 363 E HN 0.583 nan 8.360 nan 0.000 0.438 364 Y N 1.620 122.058 120.300 0.230 0.000 2.336 364 Y HA 0.355 4.905 4.550 -0.000 0.000 0.335 364 Y C -0.476 175.634 175.900 0.351 0.000 1.046 364 Y CA 0.283 58.526 58.100 0.238 0.000 1.198 364 Y CB 0.790 39.337 38.460 0.144 0.000 1.182 364 Y HN 0.300 nan 8.280 nan 0.000 0.502 365 Y N 1.712 122.069 120.300 0.095 0.000 2.562 365 Y HA 0.408 4.958 4.550 -0.000 0.000 0.343 365 Y C -0.389 175.495 175.900 -0.027 0.000 1.025 365 Y CA -1.406 56.611 58.100 -0.139 0.000 1.082 365 Y CB 2.183 40.273 38.460 -0.617 0.000 1.264 365 Y HN 0.527 nan 8.280 nan 0.000 0.478 366 N N 0.119 118.846 118.700 0.046 0.000 2.269 366 N HA 0.734 5.474 4.740 -0.000 0.000 0.304 366 N C -0.989 174.439 175.510 -0.137 0.000 1.072 366 N CA -0.754 52.309 53.050 0.023 0.000 0.802 366 N CB 2.354 40.791 38.487 -0.083 0.000 1.348 366 N HN 0.817 nan 8.380 nan 0.000 0.484 367 G N -0.792 108.008 108.800 -0.001 0.000 2.352 367 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.303 367 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.303 367 G C 0.387 175.443 174.900 0.261 0.000 1.593 367 G CA -0.423 44.635 45.100 -0.070 0.000 0.963 367 G HN 0.490 nan 8.290 nan 0.000 0.685 368 T N -1.670 113.072 114.554 0.314 0.000 3.007 368 T HA -0.004 4.346 4.350 -0.000 0.000 0.270 368 T C 2.249 177.074 174.700 0.208 0.000 1.107 368 T CA 2.141 64.408 62.100 0.278 0.000 1.118 368 T CB -0.009 69.005 68.868 0.244 0.000 0.889 368 T HN 0.487 nan 8.240 nan 0.000 0.506 369 S N 0.739 116.555 115.700 0.195 0.000 2.481 369 S HA 0.154 4.623 4.470 -0.000 0.000 0.231 369 S C 1.643 176.349 174.600 0.177 0.000 0.996 369 S CA 0.666 58.998 58.200 0.219 0.000 0.942 369 S CB -0.339 63.055 63.200 0.324 0.000 0.768 369 S HN 0.352 nan 8.310 nan 0.000 0.520 370 M N 0.440 120.149 119.600 0.183 0.000 2.466 370 M HA 0.324 4.804 4.480 -0.000 0.000 0.265 370 M C 2.081 178.551 176.300 0.283 0.000 1.122 370 M CA 0.518 55.941 55.300 0.205 0.000 1.157 370 M CB -0.597 32.134 32.600 0.219 0.000 1.352 370 M HN 0.256 nan 8.290 nan 0.000 0.464 371 A N -0.675 122.287 122.820 0.237 0.000 1.929 371 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 371 A C 2.215 179.933 177.584 0.223 0.000 1.176 371 A CA 2.014 54.176 52.037 0.208 0.000 0.628 371 A CB -1.169 17.920 19.000 0.149 0.000 0.816 371 A HN 0.422 nan 8.150 nan 0.000 0.444 372 T N 1.069 115.734 114.554 0.184 0.000 2.635 372 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 372 T C -0.223 174.557 174.700 0.134 0.000 1.040 372 T CA 1.920 64.112 62.100 0.152 0.000 1.156 372 T CB -1.195 67.761 68.868 0.147 0.000 0.863 372 T HN 0.510 nan 8.240 nan 0.000 0.430 373 P HA -0.090 nan 4.420 nan 0.000 0.222 373 P C 0.755 178.047 177.300 -0.013 0.000 1.147 373 P CA 1.377 64.493 63.100 0.027 0.000 0.790 373 P CB -0.135 31.544 31.700 -0.035 0.000 0.780 374 H N -0.494 118.585 119.070 0.015 0.000 2.326 374 H HA -0.060 4.496 4.556 -0.000 0.000 0.301 374 H C 2.093 177.441 175.328 0.032 0.000 1.081 374 H CA 1.343 57.391 56.048 -0.001 0.000 1.334 374 H CB -0.862 28.881 29.762 -0.031 0.000 1.385 374 H HN -0.137 nan 8.280 nan 0.000 0.504 375 V N 0.395 120.417 119.914 0.180 0.000 2.295 375 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 375 V C 2.464 178.624 176.094 0.110 0.000 1.049 375 V CA 2.020 64.398 62.300 0.129 0.000 1.024 375 V CB -0.652 31.241 31.823 0.116 0.000 0.648 375 V HN 0.615 nan 8.190 nan 0.000 0.447 376 S N 0.702 116.466 115.700 0.106 0.000 2.402 376 S HA -0.064 4.406 4.470 -0.000 0.000 0.229 376 S C 2.077 176.740 174.600 0.105 0.000 1.021 376 S CA 1.251 59.516 58.200 0.108 0.000 0.974 376 S CB -0.787 62.475 63.200 0.103 0.000 0.800 376 S HN 0.538 nan 8.310 nan 0.000 0.484 377 G N 1.522 110.368 108.800 0.075 0.000 2.421 377 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.216 377 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.216 377 G C 1.430 176.385 174.900 0.091 0.000 1.171 377 G CA 0.962 46.098 45.100 0.060 0.000 0.775 377 G HN 0.468 nan 8.290 nan 0.000 0.543 378 V N 1.498 121.471 119.914 0.099 0.000 2.427 378 V HA -0.081 4.039 4.120 -0.000 0.000 0.248 378 V C 3.295 179.469 176.094 0.132 0.000 1.051 378 V CA 1.827 64.194 62.300 0.111 0.000 1.048 378 V CB -0.659 31.226 31.823 0.103 0.000 0.666 378 V HN 0.476 nan 8.190 nan 0.000 0.456 379 A N -0.032 122.868 122.820 0.133 0.000 1.877 379 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 379 A C 2.414 180.156 177.584 0.263 0.000 1.186 379 A CA 2.600 54.729 52.037 0.153 0.000 0.620 379 A CB -0.982 18.099 19.000 0.134 0.000 0.822 379 A HN 0.501 nan 8.150 nan 0.000 0.443 380 T N 0.085 114.790 114.554 0.252 0.000 2.708 380 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 380 T C 1.855 176.704 174.700 0.249 0.000 1.037 380 T CA 1.463 63.726 62.100 0.272 0.000 1.146 380 T CB -0.408 68.557 68.868 0.162 0.000 0.865 380 T HN 0.334 nan 8.240 nan 0.000 0.435 381 L N 1.526 122.871 121.223 0.204 0.000 1.989 381 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 381 L C 2.445 179.515 176.870 0.332 0.000 1.071 381 L CA 1.643 56.614 54.840 0.219 0.000 0.749 381 L CB -0.907 41.261 42.059 0.182 0.000 0.890 381 L HN 0.077 nan 8.230 nan 0.000 0.431 382 V N -1.271 118.817 119.914 0.291 0.000 2.343 382 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 382 V C 2.212 178.564 176.094 0.431 0.000 1.051 382 V CA 1.875 64.353 62.300 0.296 0.000 1.036 382 V CB -1.013 30.910 31.823 0.166 0.000 0.654 382 V HN 0.718 nan 8.190 nan 0.000 0.451 383 W N 1.596 123.006 121.300 0.184 0.000 2.374 383 W HA -0.187 4.473 4.660 -0.000 0.000 0.288 383 W C 2.882 179.490 176.519 0.149 0.000 1.218 383 W CA 1.759 59.204 57.345 0.166 0.000 1.245 383 W CB -0.752 28.778 29.460 0.116 0.000 1.126 383 W HN 0.496 nan 8.180 nan 0.000 0.545 384 S N -1.327 114.560 115.700 0.312 0.000 2.442 384 S HA -0.255 4.215 4.470 -0.000 0.000 0.236 384 S C 1.691 176.303 174.600 0.019 0.000 1.007 384 S CA 1.204 59.449 58.200 0.075 0.000 0.965 384 S CB -1.177 62.017 63.200 -0.010 0.000 0.773 384 S HN 0.278 nan 8.310 nan 0.000 0.504 385 Y N 1.303 121.611 120.300 0.012 0.000 2.457 385 Y HA 0.151 4.701 4.550 -0.000 0.000 0.292 385 Y C 1.145 176.752 175.900 -0.488 0.000 1.125 385 Y CA 0.745 58.717 58.100 -0.212 0.000 1.254 385 Y CB 0.117 38.449 38.460 -0.213 0.000 1.012 385 Y HN 0.453 nan 8.280 nan 0.000 0.555 386 H N -0.714 118.547 119.070 0.319 0.000 2.600 386 H HA 0.179 4.735 4.556 -0.000 0.000 0.224 386 H C -2.084 173.452 175.328 0.348 0.000 1.413 386 H CA -1.434 54.774 56.048 0.267 0.000 1.401 386 H CB 0.675 30.580 29.762 0.239 0.000 1.772 386 H HN 0.130 nan 8.280 nan 0.000 0.528 387 P HA -0.117 nan 4.420 nan 0.000 0.228 387 P C 0.706 178.127 177.300 0.201 0.000 1.151 387 P CA 0.908 64.064 63.100 0.094 0.000 0.770 387 P CB 0.603 32.251 31.700 -0.086 0.000 0.786 388 E N -0.327 120.010 120.200 0.229 0.000 2.150 388 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 388 E C 1.050 177.794 176.600 0.240 0.000 0.985 388 E CA 0.357 56.870 56.400 0.187 0.000 0.814 388 E CB -1.174 28.614 29.700 0.146 0.000 0.752 388 E HN 0.285 nan 8.360 nan 0.000 0.466 389 c N 1.956 120.749 118.600 0.323 0.000 2.689 389 c HA 0.320 4.890 4.570 -0.000 0.000 0.409 389 c C 1.178 175.457 174.090 0.315 0.000 1.293 389 c CA -0.866 55.606 56.329 0.237 0.000 2.136 389 c CB 0.025 42.619 42.510 0.141 0.000 2.719 389 c HN 0.406 nan 8.230 nan 0.000 0.644 390 S N 1.870 117.645 115.700 0.126 0.000 2.645 390 S HA 0.489 4.959 4.470 -0.000 0.000 0.266 390 S C 0.921 175.440 174.600 -0.134 0.000 1.258 390 S CA -0.054 58.211 58.200 0.108 0.000 0.990 390 S CB 0.976 64.185 63.200 0.015 0.000 0.967 390 S HN 0.973 nan 8.310 nan 0.000 0.556 391 A N 1.738 124.490 122.820 -0.113 0.000 1.908 391 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 391 A C 2.467 179.924 177.584 -0.213 0.000 1.181 391 A CA 2.186 54.017 52.037 -0.343 0.000 0.627 391 A CB -1.784 17.228 19.000 0.019 0.000 0.818 391 A HN 1.374 nan 8.150 nan 0.000 0.445 392 S N -0.506 115.085 115.700 -0.183 0.000 2.399 392 S HA -0.251 4.219 4.470 -0.000 0.000 0.231 392 S C 1.931 176.499 174.600 -0.052 0.000 1.022 392 S CA 1.466 59.626 58.200 -0.067 0.000 0.983 392 S CB -0.514 62.578 63.200 -0.180 0.000 0.803 392 S HN 0.696 nan 8.310 nan 0.000 0.480 393 Q N 0.547 120.283 119.800 -0.107 0.000 2.083 393 Q HA 0.022 4.362 4.340 -0.000 0.000 0.198 393 Q C 2.402 178.329 176.000 -0.121 0.000 0.969 393 Q CA 1.458 57.215 55.803 -0.077 0.000 0.838 393 Q CB -0.390 28.314 28.738 -0.058 0.000 0.900 393 Q HN 0.499 nan 8.270 nan 0.000 0.436 394 V N 0.954 120.698 119.914 -0.283 0.000 2.343 394 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 394 V C 2.321 178.294 176.094 -0.203 0.000 1.051 394 V CA 1.987 64.082 62.300 -0.341 0.000 1.036 394 V CB -0.593 30.771 31.823 -0.765 0.000 0.654 394 V HN 0.320 nan 8.190 nan 0.000 0.451 395 R N 0.328 120.737 120.500 -0.153 0.000 2.091 395 R HA -0.196 4.144 4.340 -0.000 0.000 0.238 395 R C 2.291 178.545 176.300 -0.077 0.000 1.136 395 R CA 1.814 57.878 56.100 -0.059 0.000 0.959 395 R CB -0.471 29.858 30.300 0.048 0.000 0.856 395 R HN 0.486 nan 8.270 nan 0.000 0.437 396 A N 0.633 123.408 122.820 -0.075 0.000 1.902 396 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 396 A C 2.363 179.790 177.584 -0.261 0.000 1.181 396 A CA 1.666 53.633 52.037 -0.117 0.000 0.623 396 A CB -0.778 18.196 19.000 -0.042 0.000 0.818 396 A HN 0.558 nan 8.150 nan 0.000 0.443 397 A N -0.063 122.606 122.820 -0.251 0.000 1.877 397 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 397 A C 2.168 179.494 177.584 -0.430 0.000 1.186 397 A CA 1.563 53.301 52.037 -0.498 0.000 0.620 397 A CB -0.675 18.257 19.000 -0.114 0.000 0.822 397 A HN 0.487 nan 8.150 nan 0.000 0.443 398 L N -0.595 120.493 121.223 -0.225 0.000 2.046 398 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 398 L C 2.364 179.135 176.870 -0.165 0.000 1.077 398 L CA 1.843 56.596 54.840 -0.145 0.000 0.747 398 L CB -0.763 41.258 42.059 -0.062 0.000 0.896 398 L HN 0.507 nan 8.230 nan 0.000 0.432 399 N N -0.101 118.472 118.700 -0.211 0.000 2.142 399 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 399 N C 1.910 177.145 175.510 -0.458 0.000 1.023 399 N CA 0.959 53.829 53.050 -0.301 0.000 0.852 399 N CB -0.159 38.082 38.487 -0.409 0.000 0.998 399 N HN 0.291 nan 8.380 nan 0.000 0.424 400 A N 0.493 123.018 122.820 -0.492 0.000 2.067 400 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 400 A C 2.043 179.414 177.584 -0.355 0.000 1.158 400 A CA 1.704 53.456 52.037 -0.475 0.000 0.661 400 A CB -0.542 18.080 19.000 -0.630 0.000 0.801 400 A HN 0.458 nan 8.150 nan 0.000 0.452 401 T N -3.620 110.736 114.554 -0.330 0.000 3.044 401 T HA 0.606 4.956 4.350 -0.000 0.000 0.260 401 T C 0.644 175.290 174.700 -0.090 0.000 1.019 401 T CA 0.380 62.371 62.100 -0.182 0.000 0.921 401 T CB -0.211 68.556 68.868 -0.169 0.000 1.053 401 T HN 0.547 nan 8.240 nan 0.000 0.533 402 A N 1.683 124.458 122.820 -0.075 0.000 2.425 402 A HA 0.396 4.716 4.320 -0.000 0.000 0.242 402 A C -0.050 177.545 177.584 0.019 0.000 1.077 402 A CA -0.387 51.651 52.037 0.001 0.000 0.781 402 A CB 0.047 19.080 19.000 0.055 0.000 1.020 402 A HN 0.438 nan 8.150 nan 0.000 0.494 403 D N 1.715 122.135 120.400 0.034 0.000 2.339 403 D HA 0.156 4.796 4.640 -0.000 0.000 0.241 403 D C -0.458 175.871 176.300 0.047 0.000 1.183 403 D CA 0.133 54.151 54.000 0.031 0.000 0.859 403 D CB 0.940 41.755 40.800 0.025 0.000 1.067 403 D HN 0.526 nan 8.370 nan 0.000 0.484 404 D N 2.552 122.980 120.400 0.046 0.000 2.531 404 D HA 0.004 4.644 4.640 -0.000 0.000 0.239 404 D C -0.314 176.007 176.300 0.035 0.000 1.144 404 D CA 0.461 54.491 54.000 0.051 0.000 0.869 404 D CB 0.544 41.371 40.800 0.045 0.000 1.160 404 D HN 0.300 nan 8.370 nan 0.000 0.484 405 L N 2.390 123.633 121.223 0.033 0.000 2.286 405 L HA 0.423 4.763 4.340 -0.000 0.000 0.265 405 L C 1.180 178.052 176.870 0.003 0.000 1.012 405 L CA -1.119 53.736 54.840 0.024 0.000 0.818 405 L CB 1.285 43.368 42.059 0.040 0.000 1.337 405 L HN 0.601 nan 8.230 nan 0.000 0.438 406 S N -0.157 115.540 115.700 -0.004 0.000 3.469 406 S HA -0.248 4.222 4.470 -0.000 0.000 0.628 406 S C 0.001 174.585 174.600 -0.027 0.000 2.687 406 S CA 0.817 59.002 58.200 -0.025 0.000 3.829 406 S CB -0.847 62.322 63.200 -0.051 0.000 0.258 406 S HN 0.627 nan 8.310 nan 0.000 1.222 407 V N 2.631 122.520 119.914 -0.041 0.000 2.872 407 V HA 0.497 4.617 4.120 -0.000 0.000 0.307 407 V C 1.010 177.092 176.094 -0.021 0.000 1.072 407 V CA 0.403 62.682 62.300 -0.034 0.000 1.148 407 V CB 0.161 31.957 31.823 -0.046 0.000 0.954 407 V HN 1.580 nan 8.190 nan 0.000 0.490 408 A N 5.305 128.117 122.820 -0.012 0.000 2.565 408 A HA 0.542 4.862 4.320 -0.000 0.000 0.237 408 A C 0.961 178.547 177.584 0.004 0.000 1.053 408 A CA 0.719 52.756 52.037 -0.000 0.000 0.755 408 A CB -0.927 18.074 19.000 0.002 0.000 0.980 408 A HN 2.769 nan 8.150 nan 0.000 0.506 409 G N 0.992 109.805 108.800 0.022 0.000 2.757 409 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.638 409 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.638 409 G C 0.020 174.925 174.900 0.008 0.000 1.344 409 G CA -0.006 45.115 45.100 0.036 0.000 0.855 409 G HN 1.293 nan 8.290 nan 0.000 0.537 410 R N 0.690 121.181 120.500 -0.015 0.000 2.570 410 R HA 0.432 4.772 4.340 -0.000 0.000 0.277 410 R C 0.249 176.464 176.300 -0.141 0.000 1.039 410 R CA 0.913 56.904 56.100 -0.181 0.000 1.065 410 R CB -0.089 29.957 30.300 -0.423 0.000 0.964 410 R HN 0.788 nan 8.270 nan 0.000 0.428 411 D N 0.826 121.137 120.400 -0.148 0.000 2.552 411 D HA 0.129 4.769 4.640 -0.000 0.000 0.239 411 D C -0.214 176.018 176.300 -0.115 0.000 1.139 411 D CA -0.854 53.078 54.000 -0.114 0.000 0.914 411 D CB 1.094 41.833 40.800 -0.103 0.000 1.461 411 D HN 0.470 nan 8.370 nan 0.000 0.462 412 N N -0.654 117.997 118.700 -0.081 0.000 2.381 412 N HA -0.151 4.589 4.740 -0.000 0.000 0.182 412 N C 0.943 176.431 175.510 -0.036 0.000 1.025 412 N CA 0.681 53.712 53.050 -0.032 0.000 0.888 412 N CB 0.104 38.625 38.487 0.055 0.000 0.965 412 N HN 0.382 nan 8.380 nan 0.000 0.438 413 Q N -0.399 119.306 119.800 -0.158 0.000 2.089 413 Q HA -0.008 4.332 4.340 -0.000 0.000 0.195 413 Q C 1.949 177.891 176.000 -0.096 0.000 0.963 413 Q CA 1.351 56.956 55.803 -0.330 0.000 0.834 413 Q CB 0.037 28.337 28.738 -0.730 0.000 0.906 413 Q HN 0.409 nan 8.270 nan 0.000 0.452 414 T N -3.994 110.519 114.554 -0.068 0.000 3.040 414 T HA 0.523 4.873 4.350 -0.000 0.000 0.266 414 T C 1.045 175.737 174.700 -0.014 0.000 1.005 414 T CA 0.140 62.246 62.100 0.010 0.000 0.906 414 T CB 0.364 69.245 68.868 0.023 0.000 1.082 414 T HN 0.376 nan 8.240 nan 0.000 0.531 415 G N 1.812 110.564 108.800 -0.081 0.000 2.574 415 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.286 415 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.286 415 G C 0.254 175.029 174.900 -0.208 0.000 1.212 415 G CA 0.472 45.464 45.100 -0.179 0.000 0.979 415 G HN 0.354 nan 8.290 nan 0.000 0.557 416 Y N 2.551 122.854 120.300 0.005 0.000 2.561 416 Y HA 0.378 4.928 4.550 -0.000 0.000 0.291 416 Y C 2.042 177.942 175.900 0.000 0.000 1.141 416 Y CA 2.020 60.117 58.100 -0.004 0.000 1.303 416 Y CB -0.241 38.210 38.460 -0.016 0.000 1.015 416 Y HN 1.719 nan 8.280 nan 0.000 0.547 417 G N -0.354 108.519 108.800 0.122 0.000 2.331 417 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.479 417 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.479 417 G C -1.073 173.884 174.900 0.094 0.000 1.262 417 G CA -0.733 44.423 45.100 0.092 0.000 1.029 417 G HN -0.045 nan 8.290 nan 0.000 0.487 418 M N 1.137 120.790 119.600 0.088 0.000 2.217 418 M HA 0.576 5.056 4.480 -0.000 0.000 0.352 418 M C 0.667 177.016 176.300 0.082 0.000 1.376 418 M CA -0.653 54.705 55.300 0.098 0.000 1.107 418 M CB 0.279 32.950 32.600 0.117 0.000 1.723 418 M HN 0.717 nan 8.290 nan 0.000 0.461 419 I N 5.505 126.124 120.570 0.082 0.000 2.815 419 I HA -0.026 4.144 4.170 -0.000 0.000 0.291 419 I C -0.266 175.888 176.117 0.062 0.000 1.209 419 I CA 0.546 61.886 61.300 0.066 0.000 1.431 419 I CB 0.141 38.187 38.000 0.076 0.000 1.351 419 I HN 0.735 nan 8.210 nan 0.000 0.585 420 N N 6.058 124.780 118.700 0.037 0.000 2.576 420 N HA 0.329 5.069 4.740 -0.000 0.000 0.269 420 N C 0.203 175.727 175.510 0.023 0.000 1.058 420 N CA 0.029 53.097 53.050 0.031 0.000 0.860 420 N CB 1.797 40.292 38.487 0.013 0.000 1.249 420 N HN 0.772 nan 8.380 nan 0.000 0.525 421 A N 3.035 125.878 122.820 0.039 0.000 1.865 421 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 421 A C 1.892 179.477 177.584 0.002 0.000 1.191 421 A CA 1.806 53.862 52.037 0.033 0.000 0.623 421 A CB -0.556 18.477 19.000 0.055 0.000 0.826 421 A HN 0.446 nan 8.150 nan 0.000 0.444 422 V N -0.074 119.840 119.914 0.001 0.000 2.255 422 V HA -0.281 3.838 4.120 -0.000 0.000 0.247 422 V C 3.070 179.156 176.094 -0.015 0.000 1.051 422 V CA 2.153 64.442 62.300 -0.019 0.000 1.018 422 V CB -1.400 30.421 31.823 -0.004 0.000 0.641 422 V HN 0.634 nan 8.190 nan 0.000 0.445 423 A N -0.068 122.751 122.820 -0.001 0.000 1.902 423 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 423 A C 2.435 180.033 177.584 0.022 0.000 1.181 423 A CA 2.177 54.220 52.037 0.010 0.000 0.623 423 A CB -0.850 18.149 19.000 -0.001 0.000 0.818 423 A HN 0.592 nan 8.150 nan 0.000 0.443 424 A N -0.390 122.428 122.820 -0.002 0.000 1.883 424 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 424 A C 2.193 179.814 177.584 0.061 0.000 1.186 424 A CA 2.006 54.043 52.037 -0.000 0.000 0.624 424 A CB -0.442 18.547 19.000 -0.018 0.000 0.822 424 A HN 0.379 nan 8.150 nan 0.000 0.444 425 K N 0.011 120.418 120.400 0.012 0.000 2.026 425 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 425 K C 2.197 178.817 176.600 0.032 0.000 1.048 425 K CA 1.486 57.761 56.287 -0.020 0.000 0.929 425 K CB -0.557 31.800 32.500 -0.239 0.000 0.713 425 K HN 0.366 nan 8.250 nan 0.000 0.439 426 A N 0.271 123.104 122.820 0.022 0.000 1.940 426 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 426 A C 2.163 179.781 177.584 0.057 0.000 1.176 426 A CA 1.530 53.588 52.037 0.035 0.000 0.631 426 A CB -0.849 18.169 19.000 0.030 0.000 0.814 426 A HN 0.495 nan 8.150 nan 0.000 0.446 427 Y N 0.467 120.737 120.300 -0.050 0.000 2.070 427 Y HA -0.184 4.366 4.550 -0.000 0.000 0.280 427 Y C 1.996 177.832 175.900 -0.106 0.000 1.148 427 Y CA 2.119 60.179 58.100 -0.067 0.000 1.125 427 Y CB -0.307 38.113 38.460 -0.067 0.000 0.975 427 Y HN 0.215 nan 8.280 nan 0.000 0.492 428 L N -0.159 121.077 121.223 0.022 0.000 2.362 428 L HA -0.179 4.161 4.340 -0.000 0.000 0.219 428 L C 1.731 178.274 176.870 -0.545 0.000 1.134 428 L CA 0.972 55.658 54.840 -0.257 0.000 0.807 428 L CB -0.533 41.422 42.059 -0.173 0.000 0.927 428 L HN 0.217 nan 8.230 nan 0.000 0.447 429 D N -0.005 120.283 120.400 -0.187 0.000 2.178 429 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 429 D C 2.170 178.416 176.300 -0.089 0.000 0.980 429 D CA 0.889 54.880 54.000 -0.014 0.000 0.842 429 D CB 0.130 40.987 40.800 0.094 0.000 0.948 429 D HN 0.293 nan 8.370 nan 0.000 0.472 430 E N 0.183 120.287 120.200 -0.159 0.000 2.072 430 E HA -0.008 4.342 4.350 -0.000 0.000 0.190 430 E C 1.030 177.525 176.600 -0.175 0.000 0.982 430 E CA 0.658 56.964 56.400 -0.157 0.000 0.803 430 E CB 0.162 29.736 29.700 -0.211 0.000 0.755 430 E HN 0.315 nan 8.360 nan 0.000 0.453 431 S N -2.344 113.204 115.700 -0.253 0.000 2.688 431 S HA 0.085 4.555 4.470 -0.000 0.000 0.266 431 S C 0.507 174.963 174.600 -0.240 0.000 1.061 431 S CA -0.360 57.714 58.200 -0.209 0.000 0.844 431 S CB 0.189 63.294 63.200 -0.158 0.000 1.103 431 S HN 0.093 nan 8.310 nan 0.000 0.471 432 c N 1.537 120.048 118.600 -0.148 0.000 2.449 432 c HA 0.139 4.709 4.570 -0.000 0.000 0.283 432 c C 2.278 176.327 174.090 -0.068 0.000 1.453 432 c CA 1.185 57.458 56.329 -0.093 0.000 1.779 432 c CB -1.869 40.624 42.510 -0.029 0.000 1.779 432 c HN 0.986 nan 8.230 nan 0.000 0.546 433 T N -2.796 111.684 114.554 -0.124 0.000 3.132 433 T HA 0.497 4.847 4.350 -0.000 0.000 0.274 433 T C 0.839 175.344 174.700 -0.325 0.000 1.011 433 T CA 0.678 62.723 62.100 -0.092 0.000 0.899 433 T CB 0.216 69.048 68.868 -0.060 0.000 1.089 433 T HN 0.855 nan 8.240 nan 0.000 0.543 434 G N 2.771 111.148 108.800 -0.705 0.000 2.693 434 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.226 434 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.226 434 G C -2.674 171.862 174.900 -0.608 0.000 1.354 434 G CA -0.547 43.743 45.100 -1.350 0.000 0.873 434 G HN 0.475 nan 8.290 nan 0.000 0.562 435 P HA 0.000 nan 4.420 nan 0.000 0.216 435 P CA 0.000 62.966 63.100 -0.223 0.000 0.800 435 P CB 0.000 31.614 31.700 -0.143 0.000 0.726