REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1y9z_1_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 0.000 177.523 177.584 -0.101 0.000 1.274 1 A CA 0.000 51.986 52.037 -0.085 0.000 0.836 1 A CB 0.000 18.940 19.000 -0.100 0.000 0.831 2 E N 0.817 120.977 120.200 -0.066 0.000 2.210 2 E HA 0.679 5.029 4.350 -0.000 0.000 0.266 2 E C -0.832 175.753 176.600 -0.025 0.000 0.883 2 E CA -0.319 56.042 56.400 -0.065 0.000 0.761 2 E CB 1.645 31.321 29.700 -0.041 0.000 1.156 2 E HN 0.598 nan 8.360 nan 0.000 0.412 3 T N 2.585 117.129 114.554 -0.016 0.000 2.859 3 T HA 0.325 4.675 4.350 -0.000 0.000 0.281 3 T C -0.612 174.100 174.700 0.021 0.000 1.005 3 T CA -0.520 61.615 62.100 0.059 0.000 1.025 3 T CB 1.578 70.569 68.868 0.205 0.000 0.977 3 T HN 0.345 nan 8.240 nan 0.000 0.458 4 T N 5.636 120.216 114.554 0.043 0.000 2.853 4 T HA 0.366 4.716 4.350 -0.000 0.000 0.317 4 T C -2.146 172.577 174.700 0.037 0.000 1.059 4 T CA -1.143 60.974 62.100 0.029 0.000 0.954 4 T CB 0.583 69.482 68.868 0.052 0.000 0.994 4 T HN 0.409 nan 8.240 nan 0.000 0.479 5 P HA -0.037 nan 4.420 nan 0.000 0.267 5 P C 1.446 178.726 177.300 -0.033 0.000 1.200 5 P CA -0.485 62.590 63.100 -0.042 0.000 0.772 5 P CB 0.765 32.370 31.700 -0.158 0.000 0.855 6 W N 2.859 124.124 121.300 -0.059 0.000 2.325 6 W HA -0.158 4.502 4.660 -0.000 0.000 0.299 6 W C 1.401 177.775 176.519 -0.242 0.000 1.215 6 W CA 1.402 58.640 57.345 -0.178 0.000 1.244 6 W CB -2.388 26.846 29.460 -0.378 0.000 1.140 6 W HN 0.423 nan 8.180 nan 0.000 0.523 7 G N 1.457 109.567 108.800 -1.150 0.000 2.442 7 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 7 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 7 G C 1.643 176.418 174.900 -0.208 0.000 1.141 7 G CA 1.178 45.651 45.100 -1.046 0.000 0.763 7 G HN 0.235 nan 8.290 nan 0.000 0.554 8 Q N 0.221 119.990 119.800 -0.052 0.000 2.124 8 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 8 Q C 2.750 178.824 176.000 0.122 0.000 0.977 8 Q CA 1.691 57.530 55.803 0.060 0.000 0.850 8 Q CB -0.898 27.850 28.738 0.016 0.000 0.901 8 Q HN 0.456 nan 8.270 nan 0.000 0.429 9 T N 0.578 115.239 114.554 0.180 0.000 2.896 9 T HA 0.011 4.361 4.350 -0.000 0.000 0.263 9 T C 1.691 176.614 174.700 0.370 0.000 1.050 9 T CA 0.595 62.855 62.100 0.267 0.000 1.140 9 T CB -0.330 68.733 68.868 0.326 0.000 0.877 9 T HN 0.216 nan 8.240 nan 0.000 0.457 10 F N 1.474 121.497 119.950 0.121 0.000 2.171 10 F HA -0.115 4.412 4.527 0.000 0.000 0.300 10 F C 2.466 178.315 175.800 0.080 0.000 1.090 10 F CA 0.598 58.679 58.000 0.135 0.000 1.293 10 F CB -0.247 38.896 39.000 0.239 0.000 1.013 10 F HN 0.054 nan 8.300 nan 0.000 0.486 11 V N -1.875 118.185 119.914 0.243 0.000 3.380 11 V HA 0.321 4.441 4.120 -0.000 0.000 0.268 11 V C 1.257 177.421 176.094 0.117 0.000 1.168 11 V CA 0.625 63.017 62.300 0.153 0.000 1.156 11 V CB -0.874 31.034 31.823 0.141 0.000 0.785 11 V HN 0.443 nan 8.190 nan 0.000 0.487 12 G N 0.061 108.933 108.800 0.120 0.000 2.289 12 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.280 12 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.280 12 G C 0.619 175.568 174.900 0.082 0.000 1.089 12 G CA 0.342 45.494 45.100 0.086 0.000 0.939 12 G HN 1.460 nan 8.290 nan 0.000 0.499 13 A N -0.680 122.196 122.820 0.094 0.000 2.140 13 A HA 0.419 4.739 4.320 -0.000 0.000 0.209 13 A C 2.395 180.028 177.584 0.081 0.000 1.181 13 A CA 1.866 53.956 52.037 0.089 0.000 0.824 13 A CB -0.211 18.841 19.000 0.086 0.000 0.879 13 A HN 1.482 nan 8.150 nan 0.000 0.480 14 T N -1.310 113.291 114.554 0.078 0.000 2.995 14 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 14 T C 1.571 176.310 174.700 0.066 0.000 1.091 14 T CA 1.550 63.692 62.100 0.069 0.000 1.128 14 T CB -0.775 68.136 68.868 0.071 0.000 0.891 14 T HN 0.658 nan 8.240 nan 0.000 0.492 15 V N -1.367 118.587 119.914 0.067 0.000 3.052 15 V HA 0.409 4.529 4.120 -0.000 0.000 0.254 15 V C 1.239 177.376 176.094 0.071 0.000 1.100 15 V CA -0.096 62.240 62.300 0.060 0.000 1.112 15 V CB -0.892 30.960 31.823 0.048 0.000 0.738 15 V HN 0.398 nan 8.190 nan 0.000 0.469 16 L N 0.514 121.791 121.223 0.090 0.000 2.472 16 L HA 0.597 4.937 4.340 -0.000 0.000 0.256 16 L C 0.341 177.310 176.870 0.165 0.000 1.111 16 L CA -0.037 54.889 54.840 0.144 0.000 0.800 16 L CB 1.388 43.543 42.059 0.159 0.000 1.286 16 L HN 0.228 nan 8.230 nan 0.000 0.479 17 S N -0.877 114.968 115.700 0.241 0.000 2.521 17 S HA 0.241 4.711 4.470 -0.000 0.000 0.295 17 S C -0.381 174.254 174.600 0.058 0.000 1.098 17 S CA -0.796 57.477 58.200 0.123 0.000 0.999 17 S CB 1.240 64.489 63.200 0.081 0.000 1.034 17 S HN 0.663 nan 8.310 nan 0.000 0.483 18 D N 2.937 123.348 120.400 0.020 0.000 2.370 18 D HA 0.033 4.673 4.640 -0.000 0.000 0.230 18 D C 1.545 177.798 176.300 -0.077 0.000 1.143 18 D CA 0.331 54.317 54.000 -0.023 0.000 0.834 18 D CB -0.236 40.569 40.800 0.009 0.000 0.944 18 D HN 0.419 nan 8.370 nan 0.000 0.504 19 S N -0.015 115.625 115.700 -0.100 0.000 2.419 19 S HA -0.237 4.233 4.470 -0.000 0.000 0.235 19 S C 1.493 176.013 174.600 -0.133 0.000 1.019 19 S CA 0.818 58.958 58.200 -0.100 0.000 0.982 19 S CB -0.270 62.875 63.200 -0.091 0.000 0.789 19 S HN 0.178 nan 8.310 nan 0.000 0.490 20 Q N 0.144 119.820 119.800 -0.207 0.000 2.247 20 Q HA 0.470 4.810 4.340 -0.000 0.000 0.204 20 Q C 1.801 177.708 176.000 -0.156 0.000 0.872 20 Q CA 0.614 56.298 55.803 -0.199 0.000 0.951 20 Q CB -0.021 28.544 28.738 -0.287 0.000 1.099 20 Q HN 0.691 nan 8.270 nan 0.000 0.501 21 A N 0.547 123.294 122.820 -0.122 0.000 2.225 21 A HA -0.004 4.315 4.320 -0.000 0.000 0.215 21 A C 2.021 179.557 177.584 -0.080 0.000 1.164 21 A CA 1.309 53.298 52.037 -0.079 0.000 0.710 21 A CB -0.614 18.363 19.000 -0.039 0.000 0.780 21 A HN 0.383 nan 8.150 nan 0.000 0.473 22 G N 0.864 109.615 108.800 -0.083 0.000 2.559 22 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 22 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 22 G C 1.086 175.929 174.900 -0.094 0.000 1.126 22 G CA 0.826 45.880 45.100 -0.077 0.000 0.778 22 G HN 0.915 nan 8.290 nan 0.000 0.543 23 N N -0.828 117.803 118.700 -0.114 0.000 2.398 23 N HA 0.070 4.810 4.740 -0.000 0.000 0.188 23 N C 0.224 175.621 175.510 -0.189 0.000 1.122 23 N CA -0.257 52.711 53.050 -0.137 0.000 0.866 23 N CB 0.340 38.747 38.487 -0.134 0.000 0.970 23 N HN 0.002 nan 8.380 nan 0.000 0.462 24 R N 0.336 120.732 120.500 -0.174 0.000 2.854 24 R HA 0.448 4.788 4.340 -0.000 0.000 0.271 24 R C -0.901 175.314 176.300 -0.142 0.000 0.996 24 R CA -0.397 55.575 56.100 -0.213 0.000 0.961 24 R CB 1.746 31.941 30.300 -0.175 0.000 1.182 24 R HN -0.056 nan 8.270 nan 0.000 0.479 25 T N 1.923 116.391 114.554 -0.143 0.000 2.937 25 T HA 0.466 4.816 4.350 -0.000 0.000 0.297 25 T C -0.461 174.209 174.700 -0.051 0.000 0.991 25 T CA -0.489 61.556 62.100 -0.092 0.000 0.990 25 T CB 1.331 70.134 68.868 -0.108 0.000 0.991 25 T HN 0.475 nan 8.240 nan 0.000 0.440 26 I N 2.445 123.005 120.570 -0.017 0.000 2.404 26 I HA 0.632 4.802 4.170 -0.000 0.000 0.293 26 I C -0.626 175.501 176.117 0.016 0.000 0.992 26 I CA -0.655 60.657 61.300 0.020 0.000 1.149 26 I CB 0.629 38.654 38.000 0.043 0.000 1.315 26 I HN 0.698 nan 8.210 nan 0.000 0.446 27 c N 8.408 127.025 118.600 0.027 0.000 2.303 27 c HA 0.571 5.141 4.570 -0.000 0.000 0.326 27 c C -0.035 174.072 174.090 0.029 0.000 1.285 27 c CA -0.669 55.678 56.329 0.029 0.000 1.675 27 c CB -0.165 42.366 42.510 0.034 0.000 2.289 27 c HN 0.665 nan 8.230 nan 0.000 0.512 28 I N 7.689 128.268 120.570 0.014 0.000 2.306 28 I HA 0.333 4.502 4.170 -0.000 0.000 0.288 28 I C -0.078 176.060 176.117 0.035 0.000 1.036 28 I CA 0.014 61.343 61.300 0.047 0.000 1.221 28 I CB 0.705 38.750 38.000 0.076 0.000 1.385 28 I HN 0.501 nan 8.210 nan 0.000 0.472 29 I N 6.482 127.079 120.570 0.045 0.000 2.291 29 I HA 0.280 4.450 4.170 -0.000 0.000 0.292 29 I C 0.024 176.197 176.117 0.093 0.000 1.064 29 I CA 0.409 61.708 61.300 -0.002 0.000 1.269 29 I CB 0.402 38.388 38.000 -0.022 0.000 1.418 29 I HN 0.686 nan 8.210 nan 0.000 0.485 30 D N 2.648 123.111 120.400 0.105 0.000 3.948 30 D HA 0.087 4.727 4.640 -0.000 0.000 0.338 30 D C 0.226 176.728 176.300 0.336 0.000 1.541 30 D CA -0.118 54.072 54.000 0.318 0.000 0.973 30 D CB 1.220 42.216 40.800 0.327 0.000 1.449 30 D HN 0.295 nan 8.370 nan 0.000 0.624 31 S N 0.109 116.047 115.700 0.396 0.000 2.679 31 S HA 0.530 4.999 4.470 -0.000 0.000 0.233 31 S C 0.817 175.544 174.600 0.211 0.000 0.951 31 S CA 0.881 59.270 58.200 0.315 0.000 0.973 31 S CB -0.228 63.139 63.200 0.279 0.000 0.778 31 S HN 0.944 nan 8.310 nan 0.000 0.477 32 G N 0.267 109.195 108.800 0.213 0.000 2.592 32 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.684 32 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.684 32 G C -1.229 173.859 174.900 0.314 0.000 1.291 32 G CA -0.609 44.636 45.100 0.243 0.000 0.891 32 G HN 0.784 nan 8.290 nan 0.000 0.544 33 Y N 0.632 121.047 120.300 0.192 0.000 2.331 33 Y HA 0.532 5.082 4.550 -0.000 0.000 0.326 33 Y C -0.473 175.495 175.900 0.113 0.000 1.020 33 Y CA -0.798 57.408 58.100 0.178 0.000 1.136 33 Y CB 2.046 40.700 38.460 0.322 0.000 1.157 33 Y HN 0.650 nan 8.280 nan 0.000 0.444 34 D N 5.684 126.048 120.400 -0.061 0.000 2.416 34 D HA 0.058 4.698 4.640 -0.000 0.000 0.240 34 D C 1.145 177.433 176.300 -0.020 0.000 1.250 34 D CA 0.332 54.317 54.000 -0.025 0.000 0.967 34 D CB 0.444 41.218 40.800 -0.044 0.000 1.059 34 D HN 0.783 nan 8.370 nan 0.000 0.512 35 R N 1.627 122.236 120.500 0.182 0.000 2.285 35 R HA -0.104 4.236 4.340 -0.000 0.000 0.213 35 R C 1.686 178.050 176.300 0.107 0.000 1.068 35 R CA 1.123 57.368 56.100 0.242 0.000 1.004 35 R CB 0.176 30.588 30.300 0.187 0.000 0.873 35 R HN 0.378 nan 8.270 nan 0.000 0.467 36 S N -1.570 114.165 115.700 0.058 0.000 2.527 36 S HA -0.103 4.367 4.470 -0.000 0.000 0.222 36 S C 0.536 175.141 174.600 0.009 0.000 0.985 36 S CA -0.114 58.099 58.200 0.020 0.000 0.921 36 S CB -0.268 62.931 63.200 -0.003 0.000 0.772 36 S HN 0.454 nan 8.310 nan 0.000 0.529 37 H N 1.923 120.944 119.070 -0.082 0.000 2.886 37 H HA 0.286 4.842 4.556 -0.000 0.000 0.329 37 H C 1.066 176.350 175.328 -0.073 0.000 1.044 37 H CA -0.090 55.886 56.048 -0.119 0.000 1.456 37 H CB 0.461 30.099 29.762 -0.207 0.000 1.464 37 H HN 0.079 nan 8.280 nan 0.000 0.573 38 N N 3.263 121.972 118.700 0.014 0.000 2.205 38 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 38 N C 0.497 176.126 175.510 0.198 0.000 1.015 38 N CA 1.090 54.195 53.050 0.092 0.000 0.862 38 N CB 0.056 38.558 38.487 0.024 0.000 0.986 38 N HN 0.681 nan 8.380 nan 0.000 0.429 39 D N -0.544 120.098 120.400 0.404 0.000 2.328 39 D HA 0.196 4.836 4.640 -0.000 0.000 0.221 39 D C 1.211 177.524 176.300 0.021 0.000 1.072 39 D CA 0.157 54.260 54.000 0.172 0.000 0.850 39 D CB 0.378 41.276 40.800 0.164 0.000 0.922 39 D HN 0.233 nan 8.370 nan 0.000 0.516 40 L N -1.389 119.854 121.223 0.034 0.000 3.227 40 L HA 0.170 4.510 4.340 -0.000 0.000 0.287 40 L C 1.655 178.643 176.870 0.197 0.000 1.161 40 L CA -0.073 54.777 54.840 0.015 0.000 1.048 40 L CB 0.157 41.994 42.059 -0.370 0.000 1.541 40 L HN -0.155 nan 8.230 nan 0.000 0.590 41 N N 1.952 120.742 118.700 0.150 0.000 2.061 41 N HA -0.184 4.556 4.740 -0.000 0.000 0.193 41 N C 1.457 177.048 175.510 0.135 0.000 1.030 41 N CA 1.845 54.984 53.050 0.149 0.000 0.856 41 N CB 0.074 38.611 38.487 0.084 0.000 1.023 41 N HN 0.308 nan 8.380 nan 0.000 0.424 42 A N -0.566 122.316 122.820 0.103 0.000 2.359 42 A HA 0.166 4.486 4.320 -0.000 0.000 0.240 42 A C 0.201 177.831 177.584 0.077 0.000 1.306 42 A CA -0.387 51.695 52.037 0.075 0.000 0.898 42 A CB -0.426 18.604 19.000 0.051 0.000 0.956 42 A HN 0.271 nan 8.150 nan 0.000 0.497 43 N N 0.922 119.692 118.700 0.116 0.000 2.445 43 N HA 0.103 4.843 4.740 -0.000 0.000 0.264 43 N C -0.563 174.977 175.510 0.049 0.000 1.227 43 N CA -0.216 52.889 53.050 0.092 0.000 0.963 43 N CB 0.372 38.948 38.487 0.149 0.000 1.188 43 N HN 0.195 nan 8.380 nan 0.000 0.491 44 N N 0.599 119.308 118.700 0.016 0.000 3.050 44 N HA 0.061 4.801 4.740 -0.000 0.000 0.289 44 N C -0.663 174.820 175.510 -0.044 0.000 1.209 44 N CA 0.008 53.053 53.050 -0.009 0.000 1.154 44 N CB 0.183 38.659 38.487 -0.018 0.000 1.444 44 N HN 0.170 nan 8.380 nan 0.000 0.529 45 V N 1.106 120.987 119.914 -0.055 0.000 2.513 45 V HA 0.660 4.780 4.120 -0.000 0.000 0.299 45 V C 0.041 176.035 176.094 -0.167 0.000 1.035 45 V CA -0.246 61.947 62.300 -0.178 0.000 0.889 45 V CB 1.667 33.289 31.823 -0.336 0.000 0.988 45 V HN 0.606 nan 8.190 nan 0.000 0.440 46 T N 2.800 117.110 114.554 -0.407 0.000 2.804 46 T HA 0.972 5.322 4.350 -0.000 0.000 0.290 46 T C -0.174 173.652 174.700 -1.457 0.000 1.099 46 T CA -0.347 61.448 62.100 -0.508 0.000 1.011 46 T CB 1.800 70.594 68.868 -0.123 0.000 1.291 46 T HN 1.424 nan 8.240 nan 0.000 0.523 47 G N -0.653 107.197 108.800 -1.583 0.000 2.623 47 G HA2 0.561 4.521 3.960 -0.000 0.000 0.290 47 G HA3 0.561 4.521 3.960 -0.000 0.000 0.290 47 G C -1.540 172.811 174.900 -0.914 0.000 1.437 47 G CA -0.775 43.028 45.100 -2.162 0.000 0.798 47 G HN 0.813 nan 8.290 nan 0.000 0.488 48 T N 2.103 116.356 114.554 -0.502 0.000 2.892 48 T HA 0.379 4.729 4.350 -0.000 0.000 0.311 48 T C -0.092 174.679 174.700 0.118 0.000 1.033 48 T CA -0.666 61.437 62.100 0.004 0.000 0.991 48 T CB 0.680 69.639 68.868 0.151 0.000 0.981 48 T HN 0.416 nan 8.240 nan 0.000 0.457 49 N N 3.508 122.348 118.700 0.234 0.000 2.416 49 N HA 0.095 4.835 4.740 -0.000 0.000 0.246 49 N C -0.023 175.547 175.510 0.099 0.000 1.260 49 N CA 0.177 53.351 53.050 0.207 0.000 0.897 49 N CB 0.459 39.054 38.487 0.180 0.000 1.110 49 N HN 0.602 nan 8.380 nan 0.000 0.439 50 N N -0.639 118.092 118.700 0.053 0.000 2.258 50 N HA 0.056 4.796 4.740 -0.000 0.000 0.299 50 N C 0.680 176.143 175.510 -0.078 0.000 1.047 50 N CA -0.334 52.672 53.050 -0.073 0.000 0.814 50 N CB 1.112 39.486 38.487 -0.188 0.000 1.413 50 N HN 0.451 nan 8.380 nan 0.000 0.478 51 S N 1.801 117.441 115.700 -0.099 0.000 2.420 51 S HA -0.135 4.335 4.470 -0.000 0.000 0.237 51 S C 1.577 176.137 174.600 -0.066 0.000 1.023 51 S CA 1.441 59.599 58.200 -0.069 0.000 0.991 51 S CB -0.410 62.751 63.200 -0.065 0.000 0.792 51 S HN 0.680 nan 8.310 nan 0.000 0.488 52 G N 0.760 109.503 108.800 -0.095 0.000 2.939 52 G HA2 0.215 4.175 3.960 -0.000 0.000 0.210 52 G HA3 0.215 4.175 3.960 -0.000 0.000 0.210 52 G C 1.009 175.882 174.900 -0.046 0.000 1.160 52 G CA 0.680 45.742 45.100 -0.064 0.000 0.770 52 G HN 0.730 nan 8.290 nan 0.000 0.543 53 T N -3.306 111.223 114.554 -0.041 0.000 3.288 53 T HA 0.502 4.852 4.350 -0.000 0.000 0.293 53 T C 1.332 176.012 174.700 -0.033 0.000 1.008 53 T CA 0.773 62.858 62.100 -0.025 0.000 0.929 53 T CB 0.696 69.558 68.868 -0.011 0.000 1.152 53 T HN 1.149 nan 8.240 nan 0.000 0.517 54 G N 2.819 111.592 108.800 -0.047 0.000 2.574 54 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.286 54 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.286 54 G C -0.529 174.296 174.900 -0.125 0.000 1.212 54 G CA -0.153 44.897 45.100 -0.083 0.000 0.979 54 G HN 0.654 nan 8.290 nan 0.000 0.557 55 N N 1.973 120.508 118.700 -0.276 0.000 2.455 55 N HA 0.234 4.974 4.740 -0.000 0.000 0.280 55 N C 1.484 176.714 175.510 -0.467 0.000 1.055 55 N CA 0.111 52.826 53.050 -0.558 0.000 0.961 55 N CB 0.688 38.435 38.487 -1.233 0.000 1.121 55 N HN 0.783 nan 8.380 nan 0.000 0.476 56 W N 3.137 124.289 121.300 -0.247 0.000 2.392 56 W HA -0.174 4.486 4.660 0.000 0.000 0.279 56 W C 0.537 177.053 176.519 -0.005 0.000 1.225 56 W CA 0.519 57.814 57.345 -0.082 0.000 1.233 56 W CB -0.801 28.643 29.460 -0.027 0.000 1.122 56 W HN 0.608 nan 8.180 nan 0.000 0.561 57 Y N 1.002 120.808 120.300 -0.823 0.000 2.471 57 Y HA 0.427 4.977 4.550 -0.000 0.000 0.286 57 Y C 0.489 176.228 175.900 -0.270 0.000 1.188 57 Y CA -0.129 57.535 58.100 -0.727 0.000 1.286 57 Y CB -0.963 36.718 38.460 -1.297 0.000 1.072 57 Y HN -0.000 nan 8.280 nan 0.000 0.517 58 Q N 2.525 122.109 119.800 -0.359 0.000 2.616 58 Q HA 0.219 4.559 4.340 -0.000 0.000 0.250 58 Q C -2.134 173.803 176.000 -0.104 0.000 0.991 58 Q CA -2.104 53.579 55.803 -0.200 0.000 0.707 58 Q CB 1.821 30.385 28.738 -0.291 0.000 1.247 58 Q HN 0.065 nan 8.270 nan 0.000 0.491 59 P HA -0.159 nan 4.420 nan 0.000 0.218 59 P C 0.666 177.973 177.300 0.011 0.000 1.149 59 P CA 1.682 64.797 63.100 0.025 0.000 0.817 59 P CB 0.497 32.230 31.700 0.054 0.000 0.785 60 G N 0.086 108.881 108.800 -0.008 0.000 2.512 60 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.210 60 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.210 60 G C -0.972 173.934 174.900 0.010 0.000 1.295 60 G CA -0.615 44.482 45.100 -0.005 0.000 0.934 60 G HN 0.259 nan 8.290 nan 0.000 0.554 61 N N 2.215 120.923 118.700 0.013 0.000 2.456 61 N HA 0.369 5.109 4.740 -0.000 0.000 0.288 61 N C 0.407 175.935 175.510 0.029 0.000 1.059 61 N CA -0.060 53.001 53.050 0.019 0.000 0.946 61 N CB 0.770 39.265 38.487 0.013 0.000 1.150 61 N HN 0.703 nan 8.380 nan 0.000 0.479 62 N N 0.888 119.610 118.700 0.036 0.000 2.725 62 N HA -0.238 4.502 4.740 -0.000 0.000 0.251 62 N C -0.669 174.870 175.510 0.049 0.000 1.031 62 N CA 0.564 53.640 53.050 0.043 0.000 0.720 62 N CB -1.105 37.399 38.487 0.029 0.000 0.930 62 N HN 0.638 nan 8.380 nan 0.000 0.543 63 N N -0.882 117.858 118.700 0.066 0.000 2.622 63 N HA 0.383 5.123 4.740 -0.000 0.000 0.293 63 N C 0.405 175.986 175.510 0.118 0.000 1.788 63 N CA 0.278 53.377 53.050 0.082 0.000 0.860 63 N CB 0.331 38.862 38.487 0.073 0.000 1.388 63 N HN 0.287 nan 8.380 nan 0.000 0.496 64 A N -0.636 122.270 122.820 0.143 0.000 2.251 64 A HA -0.019 4.301 4.320 -0.000 0.000 0.209 64 A C 1.778 179.493 177.584 0.217 0.000 1.187 64 A CA 0.224 52.354 52.037 0.156 0.000 0.823 64 A CB -0.724 18.369 19.000 0.156 0.000 0.846 64 A HN 0.617 nan 8.150 nan 0.000 0.486 65 H N 0.608 119.779 119.070 0.168 0.000 2.289 65 H HA -0.196 4.360 4.556 -0.000 0.000 0.296 65 H C 2.209 177.636 175.328 0.165 0.000 1.091 65 H CA 2.237 58.403 56.048 0.198 0.000 1.274 65 H CB -0.314 29.491 29.762 0.072 0.000 1.364 65 H HN 0.440 nan 8.280 nan 0.000 0.490 66 G N -0.985 107.963 108.800 0.248 0.000 2.432 66 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 66 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 66 G C 1.756 176.706 174.900 0.084 0.000 1.135 66 G CA 1.160 46.374 45.100 0.191 0.000 0.767 66 G HN 0.417 nan 8.290 nan 0.000 0.550 67 T N -0.574 113.995 114.554 0.026 0.000 2.857 67 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 67 T C 1.999 176.582 174.700 -0.196 0.000 1.048 67 T CA 0.948 62.971 62.100 -0.128 0.000 1.139 67 T CB -0.282 68.499 68.868 -0.145 0.000 0.874 67 T HN 0.377 nan 8.240 nan 0.000 0.455 68 H N 0.799 119.712 119.070 -0.262 0.000 2.326 68 H HA 0.004 4.560 4.556 -0.000 0.000 0.301 68 H C 2.258 177.411 175.328 -0.291 0.000 1.081 68 H CA 1.291 57.110 56.048 -0.381 0.000 1.334 68 H CB -0.301 29.097 29.762 -0.606 0.000 1.385 68 H HN 0.133 nan 8.280 nan 0.000 0.504 69 V N 1.359 121.227 119.914 -0.076 0.000 2.287 69 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 69 V C 3.036 179.085 176.094 -0.075 0.000 1.053 69 V CA 1.705 63.967 62.300 -0.063 0.000 1.027 69 V CB -1.202 30.607 31.823 -0.023 0.000 0.646 69 V HN 0.564 nan 8.190 nan 0.000 0.447 70 A N 0.392 123.185 122.820 -0.044 0.000 1.933 70 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 70 A C 2.417 179.941 177.584 -0.100 0.000 1.175 70 A CA 1.937 53.979 52.037 0.008 0.000 0.628 70 A CB -1.206 17.868 19.000 0.125 0.000 0.814 70 A HN 0.546 nan 8.150 nan 0.000 0.444 71 G N -1.271 107.387 108.800 -0.237 0.000 2.422 71 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 71 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 71 G C 1.526 176.269 174.900 -0.262 0.000 1.146 71 G CA 1.596 46.525 45.100 -0.286 0.000 0.769 71 G HN 0.432 nan 8.290 nan 0.000 0.547 72 T N 1.051 115.423 114.554 -0.303 0.000 2.867 72 T HA 0.012 4.362 4.350 -0.000 0.000 0.268 72 T C 2.346 176.880 174.700 -0.276 0.000 1.057 72 T CA 0.745 62.628 62.100 -0.362 0.000 1.136 72 T CB -0.071 68.524 68.868 -0.454 0.000 0.874 72 T HN 0.266 nan 8.240 nan 0.000 0.466 73 I N 0.390 120.861 120.570 -0.166 0.000 2.333 73 I HA 0.065 4.235 4.170 -0.000 0.000 0.246 73 I C 1.754 177.842 176.117 -0.048 0.000 1.106 73 I CA 0.860 62.110 61.300 -0.084 0.000 1.411 73 I CB 0.051 38.038 38.000 -0.021 0.000 1.082 73 I HN 0.142 nan 8.210 nan 0.000 0.420 74 A N 0.394 123.190 122.820 -0.040 0.000 2.602 74 A HA 0.647 4.967 4.320 -0.000 0.000 0.238 74 A C 0.343 177.916 177.584 -0.017 0.000 0.863 74 A CA -0.300 51.732 52.037 -0.008 0.000 1.148 74 A CB -0.361 18.662 19.000 0.039 0.000 1.227 74 A HN 0.116 nan 8.150 nan 0.000 0.460 75 A N 0.644 123.423 122.820 -0.068 0.000 2.546 75 A HA 0.469 4.789 4.320 -0.000 0.000 0.243 75 A C 0.333 177.905 177.584 -0.020 0.000 1.063 75 A CA 0.292 52.287 52.037 -0.070 0.000 0.757 75 A CB -0.373 18.569 19.000 -0.096 0.000 0.991 75 A HN 0.596 nan 8.150 nan 0.000 0.503 76 I N 1.773 122.347 120.570 0.007 0.000 2.588 76 I HA 0.202 4.372 4.170 -0.000 0.000 0.283 76 I C 1.101 177.229 176.117 0.019 0.000 1.119 76 I CA 0.069 61.383 61.300 0.023 0.000 1.419 76 I CB 0.944 38.969 38.000 0.042 0.000 1.394 76 I HN 0.720 nan 8.210 nan 0.000 0.562 77 A N 5.696 128.525 122.820 0.014 0.000 2.396 77 A HA 0.345 4.665 4.320 -0.000 0.000 0.279 77 A C 0.255 177.847 177.584 0.014 0.000 1.165 77 A CA -0.301 51.742 52.037 0.010 0.000 0.824 77 A CB -0.375 18.631 19.000 0.010 0.000 1.100 77 A HN 0.885 nan 8.150 nan 0.000 0.516 78 N N 0.858 119.565 118.700 0.012 0.000 2.297 78 N HA -0.030 4.710 4.740 -0.000 0.000 0.244 78 N C -0.245 175.267 175.510 0.004 0.000 1.412 78 N CA 0.145 53.202 53.050 0.012 0.000 0.837 78 N CB -1.066 37.435 38.487 0.024 0.000 1.336 78 N HN 0.567 nan 8.380 nan 0.000 0.508 79 N N 0.765 119.462 118.700 -0.005 0.000 2.753 79 N HA -0.269 4.471 4.740 -0.000 0.000 0.251 79 N C -1.250 174.243 175.510 -0.029 0.000 1.097 79 N CA 1.952 54.993 53.050 -0.016 0.000 0.786 79 N CB -0.680 37.799 38.487 -0.012 0.000 1.137 79 N HN 0.878 nan 8.380 nan 0.000 0.566 80 E N -2.313 117.872 120.200 -0.025 0.000 2.383 80 E HA 0.553 4.903 4.350 -0.000 0.000 0.275 80 E C 0.997 177.559 176.600 -0.064 0.000 0.918 80 E CA -0.746 55.631 56.400 -0.039 0.000 0.764 80 E CB 1.523 31.228 29.700 0.009 0.000 1.252 80 E HN 0.277 nan 8.360 nan 0.000 0.449 81 G N 0.792 109.468 108.800 -0.206 0.000 2.591 81 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.298 81 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.298 81 G C 0.317 174.972 174.900 -0.408 0.000 1.195 81 G CA 1.513 46.268 45.100 -0.576 0.000 0.989 81 G HN 1.534 nan 8.290 nan 0.000 0.551 82 V N -2.511 117.263 119.914 -0.233 0.000 3.119 82 V HA 0.963 5.083 4.120 -0.000 0.000 0.309 82 V C 0.434 176.490 176.094 -0.063 0.000 1.304 82 V CA 0.212 62.430 62.300 -0.137 0.000 1.057 82 V CB 1.150 32.881 31.823 -0.153 0.000 1.150 82 V HN 2.359 nan 8.190 nan 0.000 0.474 83 V N -2.321 117.555 119.914 -0.064 0.000 2.888 83 V HA 1.001 5.121 4.120 -0.000 0.000 0.309 83 V C 0.196 176.247 176.094 -0.072 0.000 1.114 83 V CA 0.278 62.550 62.300 -0.046 0.000 0.940 83 V CB 0.851 32.662 31.823 -0.021 0.000 1.021 83 V HN 1.506 nan 8.190 nan 0.000 0.426 84 G N 1.193 109.952 108.800 -0.068 0.000 2.557 84 G HA2 0.497 4.457 3.960 -0.000 0.000 0.302 84 G HA3 0.497 4.457 3.960 -0.000 0.000 0.302 84 G C 0.690 175.556 174.900 -0.056 0.000 1.311 84 G CA -0.122 44.921 45.100 -0.095 0.000 1.030 84 G HN 0.946 nan 8.290 nan 0.000 0.509 85 V N -0.048 119.829 119.914 -0.063 0.000 2.332 85 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 85 V C 1.406 177.511 176.094 0.018 0.000 1.055 85 V CA 1.605 63.899 62.300 -0.010 0.000 1.038 85 V CB -0.555 31.267 31.823 -0.002 0.000 0.651 85 V HN 0.460 nan 8.190 nan 0.000 0.450 86 M N 1.139 120.745 119.600 0.010 0.000 2.065 86 M HA 0.286 4.766 4.480 -0.000 0.000 0.308 86 M C -2.211 174.095 176.300 0.010 0.000 0.939 86 M CA -1.156 54.156 55.300 0.020 0.000 0.890 86 M CB 2.231 34.845 32.600 0.025 0.000 1.383 86 M HN 0.008 nan 8.290 nan 0.000 0.381 87 P HA 0.134 nan 4.420 nan 0.000 0.261 87 P C -0.247 177.061 177.300 0.012 0.000 1.268 87 P CA 0.556 63.661 63.100 0.007 0.000 0.833 87 P CB 0.049 31.750 31.700 0.003 0.000 1.231 88 N N 0.667 119.374 118.700 0.011 0.000 2.295 88 N HA 0.100 4.840 4.740 -0.000 0.000 0.221 88 N C -0.249 175.265 175.510 0.007 0.000 1.129 88 N CA -0.163 52.893 53.050 0.009 0.000 0.836 88 N CB -0.243 38.247 38.487 0.005 0.000 1.040 88 N HN -0.031 nan 8.380 nan 0.000 0.494 89 Q N -1.026 118.782 119.800 0.012 0.000 2.463 89 Q HA -0.272 4.068 4.340 -0.000 0.000 0.299 89 Q C -0.268 175.732 176.000 -0.001 0.000 1.353 89 Q CA 0.510 56.321 55.803 0.013 0.000 0.828 89 Q CB -1.919 26.829 28.738 0.016 0.000 1.157 89 Q HN 0.624 nan 8.270 nan 0.000 0.436 90 N N -0.610 118.085 118.700 -0.008 0.000 2.612 90 N HA 0.261 5.001 4.740 -0.000 0.000 0.224 90 N C 0.335 175.828 175.510 -0.028 0.000 1.051 90 N CA 0.282 53.319 53.050 -0.023 0.000 0.889 90 N CB 0.354 38.822 38.487 -0.032 0.000 1.449 90 N HN 0.333 nan 8.380 nan 0.000 0.442 91 A N 1.210 124.017 122.820 -0.021 0.000 2.520 91 A HA 0.131 4.451 4.320 -0.000 0.000 0.235 91 A C -0.321 177.246 177.584 -0.029 0.000 1.065 91 A CA 0.149 52.172 52.037 -0.024 0.000 0.764 91 A CB 0.053 19.049 19.000 -0.007 0.000 1.002 91 A HN 0.274 nan 8.150 nan 0.000 0.502 92 N N 0.982 119.656 118.700 -0.043 0.000 2.455 92 N HA 0.471 5.211 4.740 -0.000 0.000 0.280 92 N C -0.923 174.557 175.510 -0.050 0.000 1.055 92 N CA 0.109 53.129 53.050 -0.051 0.000 0.961 92 N CB 1.338 39.787 38.487 -0.063 0.000 1.121 92 N HN 0.537 nan 8.380 nan 0.000 0.476 93 I N 1.435 121.963 120.570 -0.070 0.000 2.465 93 I HA 0.198 4.368 4.170 -0.000 0.000 0.291 93 I C -0.503 175.523 176.117 -0.151 0.000 1.014 93 I CA -0.700 60.545 61.300 -0.093 0.000 1.093 93 I CB 1.644 39.575 38.000 -0.114 0.000 1.267 93 I HN 0.415 nan 8.210 nan 0.000 0.431 94 H N 6.273 125.200 119.070 -0.238 0.000 2.489 94 H HA 0.579 5.135 4.556 -0.000 0.000 0.343 94 H C -1.134 173.996 175.328 -0.331 0.000 1.086 94 H CA -0.511 55.339 56.048 -0.331 0.000 1.198 94 H CB 1.292 30.909 29.762 -0.242 0.000 1.490 94 H HN 0.296 nan 8.280 nan 0.000 0.504 95 I N 6.061 126.089 120.570 -0.904 0.000 2.378 95 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 95 I C -0.570 175.268 176.117 -0.466 0.000 0.992 95 I CA -0.788 60.186 61.300 -0.544 0.000 1.154 95 I CB 1.351 39.106 38.000 -0.408 0.000 1.315 95 I HN 0.347 nan 8.210 nan 0.000 0.448 96 V N 6.631 126.435 119.914 -0.182 0.000 2.376 96 V HA 0.293 4.413 4.120 -0.000 0.000 0.287 96 V C 0.226 176.260 176.094 -0.100 0.000 1.015 96 V CA -0.923 61.309 62.300 -0.114 0.000 0.834 96 V CB 1.895 33.653 31.823 -0.108 0.000 1.001 96 V HN 0.637 nan 8.190 nan 0.000 0.428 97 K N 3.849 124.242 120.400 -0.012 0.000 2.263 97 K HA 0.358 4.678 4.320 -0.000 0.000 0.282 97 K C 0.682 177.170 176.600 -0.186 0.000 1.089 97 K CA -0.241 56.034 56.287 -0.021 0.000 0.907 97 K CB 1.270 33.827 32.500 0.095 0.000 1.148 97 K HN 0.634 nan 8.250 nan 0.000 0.470 98 V N 1.612 121.229 119.914 -0.494 0.000 3.644 98 V HA 0.335 4.455 4.120 -0.000 0.000 0.267 98 V C -0.013 175.460 176.094 -1.034 0.000 1.277 98 V CA -0.140 61.527 62.300 -1.055 0.000 1.096 98 V CB -0.485 30.251 31.823 -1.813 0.000 0.828 98 V HN 0.411 nan 8.190 nan 0.000 0.446 99 F N 1.567 121.359 119.950 -0.263 0.000 2.469 99 F HA 0.654 5.181 4.527 -0.000 0.000 0.332 99 F C 0.460 176.227 175.800 -0.055 0.000 1.103 99 F CA -0.800 57.126 58.000 -0.123 0.000 0.979 99 F CB 1.491 40.473 39.000 -0.030 0.000 1.137 99 F HN -0.050 nan 8.300 nan 0.000 0.463 100 N N 1.043 119.852 118.700 0.182 0.000 2.518 100 N HA 0.122 4.862 4.740 -0.000 0.000 0.284 100 N C 0.965 176.543 175.510 0.114 0.000 1.230 100 N CA -0.539 52.575 53.050 0.106 0.000 0.941 100 N CB 1.134 39.661 38.487 0.066 0.000 1.219 100 N HN 0.751 nan 8.380 nan 0.000 0.560 101 E N 0.615 120.858 120.200 0.071 0.000 2.130 101 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 101 E C 1.238 177.870 176.600 0.053 0.000 0.998 101 E CA 1.433 57.864 56.400 0.052 0.000 0.806 101 E CB 0.001 29.723 29.700 0.037 0.000 0.738 101 E HN 0.628 nan 8.360 nan 0.000 0.459 102 A N 0.230 123.090 122.820 0.066 0.000 2.119 102 A HA 0.249 4.569 4.320 -0.000 0.000 0.217 102 A C 1.145 178.793 177.584 0.106 0.000 1.153 102 A CA 1.371 53.451 52.037 0.071 0.000 0.692 102 A CB -0.208 18.833 19.000 0.068 0.000 0.799 102 A HN 0.518 nan 8.150 nan 0.000 0.458 103 G N -2.570 106.328 108.800 0.162 0.000 2.278 103 G HA2 0.045 4.005 3.960 -0.000 0.000 0.265 103 G HA3 0.045 4.005 3.960 -0.000 0.000 0.265 103 G C -0.890 174.283 174.900 0.456 0.000 1.329 103 G CA -0.373 44.894 45.100 0.278 0.000 1.017 103 G HN 0.626 nan 8.290 nan 0.000 0.472 104 W N 2.315 123.839 121.300 0.374 0.000 2.417 104 W HA 0.450 5.110 4.660 -0.000 0.000 0.332 104 W C 0.799 177.387 176.519 0.115 0.000 1.413 104 W CA 1.170 58.633 57.345 0.196 0.000 1.299 104 W CB 0.393 29.920 29.460 0.111 0.000 1.304 104 W HN 1.126 nan 8.180 nan 0.000 0.565 105 G N 5.433 114.113 108.800 -0.201 0.000 3.342 105 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.252 105 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.252 105 G C -0.555 174.259 174.900 -0.144 0.000 1.011 105 G CA -0.365 44.698 45.100 -0.061 0.000 0.869 105 G HN 0.489 nan 8.290 nan 0.000 0.514 106 Y N 2.928 122.808 120.300 -0.700 0.000 2.712 106 Y HA 0.116 4.666 4.550 -0.000 0.000 0.333 106 Y C 2.016 177.892 175.900 -0.040 0.000 1.225 106 Y CA 0.169 57.997 58.100 -0.453 0.000 1.499 106 Y CB 1.293 39.295 38.460 -0.762 0.000 1.288 106 Y HN 0.131 nan 8.280 nan 0.000 0.575 107 S N 0.980 116.502 115.700 -0.297 0.000 2.507 107 S HA -0.002 4.468 4.470 -0.000 0.000 0.235 107 S C 0.881 175.458 174.600 -0.037 0.000 0.988 107 S CA 0.743 58.858 58.200 -0.143 0.000 0.944 107 S CB -0.087 62.989 63.200 -0.208 0.000 0.762 107 S HN 0.499 nan 8.310 nan 0.000 0.526 108 S N 0.276 115.972 115.700 -0.006 0.000 2.971 108 S HA 0.685 5.155 4.470 -0.000 0.000 0.320 108 S C -0.142 174.774 174.600 0.527 0.000 1.111 108 S CA -0.161 58.158 58.200 0.198 0.000 0.870 108 S CB 1.144 64.401 63.200 0.095 0.000 1.331 108 S HN 0.641 nan 8.310 nan 0.000 0.635 109 S N 0.727 116.664 115.700 0.395 0.000 2.655 109 S HA 0.357 4.827 4.470 -0.000 0.000 0.265 109 S C 1.120 175.981 174.600 0.436 0.000 1.240 109 S CA -0.363 58.045 58.200 0.346 0.000 0.986 109 S CB 0.475 63.773 63.200 0.165 0.000 0.985 109 S HN 0.663 nan 8.310 nan 0.000 0.562 110 L N 1.354 122.738 121.223 0.268 0.000 2.093 110 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 110 L C 2.296 179.274 176.870 0.180 0.000 1.085 110 L CA 1.517 56.511 54.840 0.257 0.000 0.755 110 L CB -0.928 41.217 42.059 0.144 0.000 0.904 110 L HN 0.673 nan 8.230 nan 0.000 0.435 111 V N 0.233 120.243 119.914 0.159 0.000 2.332 111 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 111 V C 2.811 179.013 176.094 0.179 0.000 1.055 111 V CA 1.703 64.094 62.300 0.153 0.000 1.038 111 V CB -1.307 30.587 31.823 0.118 0.000 0.651 111 V HN 0.629 nan 8.190 nan 0.000 0.450 112 A N -0.264 122.685 122.820 0.215 0.000 1.933 112 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 112 A C 2.412 180.156 177.584 0.267 0.000 1.175 112 A CA 1.940 54.124 52.037 0.244 0.000 0.628 112 A CB -0.675 18.497 19.000 0.286 0.000 0.814 112 A HN 0.570 nan 8.150 nan 0.000 0.444 113 A N 0.047 123.008 122.820 0.235 0.000 1.902 113 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 113 A C 2.104 179.700 177.584 0.021 0.000 1.181 113 A CA 1.498 53.547 52.037 0.019 0.000 0.623 113 A CB -0.581 18.213 19.000 -0.344 0.000 0.818 113 A HN 0.496 nan 8.150 nan 0.000 0.443 114 I N -0.114 120.473 120.570 0.027 0.000 2.252 114 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 114 I C 1.828 177.892 176.117 -0.089 0.000 1.102 114 I CA 1.356 62.623 61.300 -0.055 0.000 1.385 114 I CB -0.515 37.446 38.000 -0.065 0.000 1.064 114 I HN 0.245 nan 8.210 nan 0.000 0.414 115 D N 0.621 121.059 120.400 0.064 0.000 2.123 115 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 115 D C 2.204 178.544 176.300 0.067 0.000 0.992 115 D CA 1.710 55.790 54.000 0.133 0.000 0.833 115 D CB -0.421 40.486 40.800 0.179 0.000 0.954 115 D HN 0.277 nan 8.370 nan 0.000 0.455 116 T N 0.277 114.878 114.554 0.079 0.000 2.746 116 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 116 T C 2.269 176.973 174.700 0.007 0.000 1.039 116 T CA 0.909 63.051 62.100 0.071 0.000 1.142 116 T CB -0.560 68.396 68.868 0.146 0.000 0.866 116 T HN 0.231 nan 8.240 nan 0.000 0.444 117 c N 0.878 119.477 118.600 -0.002 0.000 2.398 117 c HA -0.049 4.521 4.570 -0.000 0.000 0.276 117 c C 2.862 176.876 174.090 -0.126 0.000 1.222 117 c CA 0.472 56.777 56.329 -0.040 0.000 1.746 117 c CB -1.116 41.370 42.510 -0.039 0.000 2.039 117 c HN 0.373 nan 8.230 nan 0.000 0.470 118 V N 1.439 121.291 119.914 -0.105 0.000 2.302 118 V HA -0.132 3.988 4.120 -0.000 0.000 0.243 118 V C 2.153 178.211 176.094 -0.061 0.000 1.036 118 V CA 1.976 64.229 62.300 -0.079 0.000 1.020 118 V CB -0.657 31.141 31.823 -0.042 0.000 0.657 118 V HN 0.515 nan 8.190 nan 0.000 0.453 119 N N 0.161 118.846 118.700 -0.026 0.000 2.171 119 N HA -0.079 4.661 4.740 -0.000 0.000 0.184 119 N C 2.034 177.500 175.510 -0.074 0.000 1.021 119 N CA 1.702 54.738 53.050 -0.024 0.000 0.854 119 N CB -0.204 38.293 38.487 0.017 0.000 0.994 119 N HN 0.364 nan 8.380 nan 0.000 0.426 120 S N -0.369 115.266 115.700 -0.109 0.000 2.404 120 S HA 0.092 4.562 4.470 -0.000 0.000 0.223 120 S C 1.896 176.256 174.600 -0.400 0.000 1.040 120 S CA 0.763 58.867 58.200 -0.161 0.000 0.957 120 S CB -0.053 63.110 63.200 -0.062 0.000 0.826 120 S HN 0.482 nan 8.310 nan 0.000 0.491 121 G N 0.131 108.533 108.800 -0.663 0.000 2.777 121 G HA2 0.375 4.335 3.960 -0.000 0.000 0.211 121 G HA3 0.375 4.335 3.960 -0.000 0.000 0.211 121 G C 0.949 175.588 174.900 -0.434 0.000 1.149 121 G CA 0.311 44.791 45.100 -1.033 0.000 0.785 121 G HN 0.793 nan 8.290 nan 0.000 0.536 122 G N -0.270 108.371 108.800 -0.266 0.000 2.221 122 G HA2 0.101 4.061 3.960 -0.000 0.000 0.265 122 G HA3 0.101 4.061 3.960 -0.000 0.000 0.265 122 G C 0.512 175.327 174.900 -0.143 0.000 1.041 122 G CA 0.350 45.352 45.100 -0.164 0.000 0.807 122 G HN 1.336 nan 8.290 nan 0.000 0.502 123 A N -0.853 121.885 122.820 -0.136 0.000 2.511 123 A HA 0.575 4.895 4.320 -0.000 0.000 0.242 123 A C 1.059 178.608 177.584 -0.059 0.000 1.069 123 A CA 1.012 52.996 52.037 -0.089 0.000 0.763 123 A CB 0.174 19.137 19.000 -0.062 0.000 1.001 123 A HN 0.585 nan 8.150 nan 0.000 0.498 124 N N 0.066 118.726 118.700 -0.067 0.000 2.454 124 N HA 0.188 4.928 4.740 -0.000 0.000 0.177 124 N C -0.608 175.009 175.510 0.177 0.000 1.049 124 N CA 0.296 53.304 53.050 -0.070 0.000 0.887 124 N CB 0.603 38.831 38.487 -0.431 0.000 1.095 124 N HN 0.399 nan 8.380 nan 0.000 0.446 125 V N 1.418 121.419 119.914 0.145 0.000 2.588 125 V HA 0.443 4.563 4.120 -0.000 0.000 0.304 125 V C -0.744 175.419 176.094 0.114 0.000 1.042 125 V CA -0.829 61.597 62.300 0.211 0.000 0.877 125 V CB 2.344 34.309 31.823 0.237 0.000 0.996 125 V HN -0.235 nan 8.190 nan 0.000 0.425 126 V N 3.226 123.206 119.914 0.109 0.000 2.407 126 V HA 0.479 4.599 4.120 -0.000 0.000 0.291 126 V C 0.068 176.214 176.094 0.087 0.000 1.018 126 V CA -0.288 62.053 62.300 0.069 0.000 0.842 126 V CB 1.897 33.738 31.823 0.031 0.000 0.996 126 V HN 0.924 nan 8.190 nan 0.000 0.426 127 T N 6.876 121.481 114.554 0.086 0.000 2.771 127 T HA 0.699 5.049 4.350 -0.000 0.000 0.281 127 T C -0.478 174.289 174.700 0.112 0.000 0.982 127 T CA -0.395 61.766 62.100 0.100 0.000 0.978 127 T CB 0.473 69.399 68.868 0.097 0.000 0.930 127 T HN 0.575 nan 8.240 nan 0.000 0.447 128 M N 4.177 123.855 119.600 0.130 0.000 1.999 128 M HA 0.296 4.776 4.480 -0.000 0.000 0.299 128 M C 0.169 176.582 176.300 0.188 0.000 0.900 128 M CA -0.454 54.942 55.300 0.161 0.000 0.904 128 M CB 1.711 34.403 32.600 0.153 0.000 1.477 128 M HN 0.374 nan 8.290 nan 0.000 0.403 129 S N 4.568 120.407 115.700 0.232 0.000 3.983 129 S HA 0.470 4.940 4.470 -0.000 0.000 0.194 129 S C -0.504 174.261 174.600 0.276 0.000 1.464 129 S CA -0.500 57.860 58.200 0.267 0.000 1.021 129 S CB -0.888 62.513 63.200 0.336 0.000 1.424 129 S HN 0.550 nan 8.310 nan 0.000 0.473 130 L N -2.076 119.285 121.223 0.229 0.000 2.671 130 L HA 1.072 5.412 4.340 -0.000 0.000 0.259 130 L C -0.499 176.481 176.870 0.183 0.000 1.021 130 L CA -0.792 54.189 54.840 0.235 0.000 0.871 130 L CB 1.072 43.396 42.059 0.442 0.000 1.472 130 L HN 0.129 nan 8.230 nan 0.000 0.410 131 G N -1.519 107.379 108.800 0.163 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 -1.450 173.511 174.900 0.102 0.000 1.489 131 G CA -0.110 45.059 45.100 0.116 0.000 0.836 131 G HN 1.070 nan 8.290 nan 0.000 0.527 132 G N -1.076 107.784 108.800 0.100 0.000 2.642 132 G HA2 0.623 4.583 3.960 -0.000 0.000 0.293 132 G HA3 0.623 4.583 3.960 -0.000 0.000 0.293 132 G C 0.894 175.874 174.900 0.133 0.000 1.341 132 G CA 0.648 45.798 45.100 0.083 0.000 0.916 132 G HN 1.461 nan 8.290 nan 0.000 0.474 133 S N -0.504 115.259 115.700 0.105 0.000 2.470 133 S HA 0.210 4.680 4.470 -0.000 0.000 0.225 133 S C 1.336 176.030 174.600 0.157 0.000 1.006 133 S CA 0.577 58.865 58.200 0.146 0.000 0.934 133 S CB -0.044 63.203 63.200 0.079 0.000 0.778 133 S HN 1.000 nan 8.310 nan 0.000 0.517 134 G N 1.276 110.103 108.800 0.045 0.000 2.507 134 G HA2 0.509 4.469 3.960 -0.000 0.000 0.271 134 G HA3 0.509 4.469 3.960 -0.000 0.000 0.271 134 G C -0.527 174.193 174.900 -0.300 0.000 1.189 134 G CA -0.168 44.882 45.100 -0.082 0.000 0.859 134 G HN 0.631 nan 8.290 nan 0.000 0.542 135 S N -0.949 114.495 115.700 -0.426 0.000 2.546 135 S HA 0.834 5.304 4.470 -0.000 0.000 0.274 135 S C -0.435 174.052 174.600 -0.187 0.000 1.121 135 S CA -0.423 57.438 58.200 -0.565 0.000 0.887 135 S CB 2.056 64.517 63.200 -1.232 0.000 1.094 135 S HN 1.329 nan 8.310 nan 0.000 0.474 136 T N -1.940 112.599 114.554 -0.024 0.000 2.883 136 T HA 0.550 4.900 4.350 -0.000 0.000 0.301 136 T C 0.727 175.411 174.700 -0.027 0.000 1.158 136 T CA -0.523 61.560 62.100 -0.028 0.000 1.007 136 T CB 1.166 70.017 68.868 -0.027 0.000 1.186 136 T HN 0.444 nan 8.240 nan 0.000 0.499 137 T N 1.240 115.771 114.554 -0.039 0.000 2.777 137 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 137 T C 2.051 176.705 174.700 -0.077 0.000 1.040 137 T CA 1.935 64.003 62.100 -0.052 0.000 1.141 137 T CB -0.701 68.146 68.868 -0.035 0.000 0.868 137 T HN 0.813 nan 8.240 nan 0.000 0.444 138 T N 1.682 116.200 114.554 -0.059 0.000 2.720 138 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 138 T C 1.920 176.569 174.700 -0.085 0.000 1.037 138 T CA 1.429 63.495 62.100 -0.057 0.000 1.144 138 T CB -0.202 68.647 68.868 -0.032 0.000 0.864 138 T HN 0.540 nan 8.240 nan 0.000 0.444 139 E N 0.829 120.967 120.200 -0.103 0.000 2.072 139 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 139 E C 2.460 178.825 176.600 -0.392 0.000 0.982 139 E CA 0.625 56.934 56.400 -0.152 0.000 0.803 139 E CB -0.030 29.638 29.700 -0.052 0.000 0.755 139 E HN 0.302 nan 8.360 nan 0.000 0.453 140 R N 0.487 120.652 120.500 -0.559 0.000 2.083 140 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 140 R C 1.890 177.993 176.300 -0.327 0.000 1.137 140 R CA 2.139 57.804 56.100 -0.725 0.000 0.951 140 R CB -0.289 29.782 30.300 -0.382 0.000 0.851 140 R HN 0.279 nan 8.270 nan 0.000 0.434 141 N N -0.362 118.224 118.700 -0.189 0.000 2.142 141 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 141 N C 1.820 177.276 175.510 -0.090 0.000 1.023 141 N CA 0.957 53.944 53.050 -0.105 0.000 0.852 141 N CB -0.132 38.310 38.487 -0.074 0.000 0.998 141 N HN 0.275 nan 8.380 nan 0.000 0.424 142 A N 1.017 123.781 122.820 -0.093 0.000 1.902 142 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 142 A C 2.033 179.613 177.584 -0.006 0.000 1.181 142 A CA 1.229 53.229 52.037 -0.062 0.000 0.623 142 A CB -0.558 18.431 19.000 -0.017 0.000 0.818 142 A HN 0.104 nan 8.150 nan 0.000 0.443 143 L N 0.163 121.385 121.223 -0.002 0.000 2.109 143 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 143 L C 2.210 179.149 176.870 0.114 0.000 1.086 143 L CA 1.790 56.685 54.840 0.092 0.000 0.760 143 L CB -0.916 41.144 42.059 0.001 0.000 0.910 143 L HN 0.587 nan 8.230 nan 0.000 0.437 144 N N -1.240 117.482 118.700 0.037 0.000 2.166 144 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 144 N C 1.520 177.104 175.510 0.123 0.000 1.019 144 N CA 1.510 54.626 53.050 0.110 0.000 0.856 144 N CB 0.224 38.739 38.487 0.048 0.000 0.993 144 N HN 0.317 nan 8.380 nan 0.000 0.426 145 T N -0.571 114.000 114.554 0.029 0.000 2.708 145 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 145 T C 1.355 176.059 174.700 0.006 0.000 1.037 145 T CA 1.275 63.358 62.100 -0.028 0.000 1.146 145 T CB -0.476 68.315 68.868 -0.129 0.000 0.865 145 T HN 0.410 nan 8.240 nan 0.000 0.435 146 H N -0.914 118.205 119.070 0.082 0.000 2.353 146 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 146 H C 2.100 177.518 175.328 0.151 0.000 1.090 146 H CA 1.763 57.871 56.048 0.100 0.000 1.327 146 H CB -0.161 29.662 29.762 0.101 0.000 1.383 146 H HN 0.309 nan 8.280 nan 0.000 0.508 147 Y N 1.791 122.194 120.300 0.172 0.000 2.145 147 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 147 Y C 1.916 177.871 175.900 0.092 0.000 1.145 147 Y CA 1.377 59.548 58.100 0.120 0.000 1.148 147 Y CB -0.386 38.127 38.460 0.089 0.000 0.981 147 Y HN 0.183 nan 8.280 nan 0.000 0.507 148 N N 0.460 119.142 118.700 -0.029 0.000 2.309 148 N HA -0.152 4.588 4.740 -0.000 0.000 0.182 148 N C 0.999 176.464 175.510 -0.074 0.000 1.018 148 N CA 1.097 54.063 53.050 -0.140 0.000 0.876 148 N CB -0.448 38.013 38.487 -0.042 0.000 0.972 148 N HN 0.431 nan 8.380 nan 0.000 0.434 149 N N 0.111 118.814 118.700 0.006 0.000 2.521 149 N HA 0.018 4.758 4.740 -0.000 0.000 0.188 149 N C 1.030 176.575 175.510 0.058 0.000 1.146 149 N CA 0.748 53.818 53.050 0.033 0.000 0.893 149 N CB 0.255 38.780 38.487 0.063 0.000 0.975 149 N HN 0.376 nan 8.380 nan 0.000 0.451 150 G N -1.043 107.786 108.800 0.049 0.000 2.154 150 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.186 150 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.186 150 G C -0.370 174.685 174.900 0.257 0.000 1.000 150 G CA -0.179 44.994 45.100 0.122 0.000 0.664 150 G HN 0.135 nan 8.290 nan 0.000 0.513 151 V N 1.587 121.649 119.914 0.246 0.000 2.383 151 V HA 0.631 4.751 4.120 -0.000 0.000 0.275 151 V C 0.533 176.839 176.094 0.354 0.000 1.036 151 V CA -0.821 61.654 62.300 0.292 0.000 0.889 151 V CB 1.560 33.503 31.823 0.200 0.000 0.985 151 V HN 0.400 nan 8.190 nan 0.000 0.459 152 L N 7.287 128.738 121.223 0.380 0.000 2.313 152 L HA 0.452 4.792 4.340 -0.000 0.000 0.282 152 L C -0.447 176.555 176.870 0.219 0.000 1.092 152 L CA 0.506 55.526 54.840 0.301 0.000 0.831 152 L CB 0.403 42.597 42.059 0.225 0.000 1.159 152 L HN 0.507 nan 8.230 nan 0.000 0.442 153 L N 6.994 128.311 121.223 0.157 0.000 2.296 153 L HA 0.574 4.914 4.340 -0.000 0.000 0.286 153 L C -0.569 176.342 176.870 0.068 0.000 1.023 153 L CA -0.405 54.495 54.840 0.101 0.000 0.812 153 L CB 1.408 43.517 42.059 0.083 0.000 1.223 153 L HN 0.545 nan 8.230 nan 0.000 0.421 154 I N 2.556 123.178 120.570 0.086 0.000 2.582 154 I HA 0.801 4.971 4.170 -0.000 0.000 0.292 154 I C -0.395 175.778 176.117 0.095 0.000 1.066 154 I CA -0.408 60.941 61.300 0.082 0.000 1.053 154 I CB 2.207 40.263 38.000 0.093 0.000 1.241 154 I HN 0.713 nan 8.210 nan 0.000 0.421 155 A N 3.788 126.662 122.820 0.089 0.000 2.594 155 A HA 0.914 5.234 4.320 -0.000 0.000 0.291 155 A C -1.027 176.615 177.584 0.096 0.000 1.105 155 A CA -0.685 51.413 52.037 0.102 0.000 0.694 155 A CB 1.543 20.604 19.000 0.102 0.000 1.291 155 A HN 0.796 nan 8.150 nan 0.000 0.410 156 A N 0.138 123.025 122.820 0.112 0.000 2.401 156 A HA 0.568 4.888 4.320 -0.000 0.000 0.259 156 A C 1.231 178.863 177.584 0.080 0.000 1.103 156 A CA 0.332 52.437 52.037 0.114 0.000 0.789 156 A CB 0.136 19.222 19.000 0.143 0.000 1.035 156 A HN 2.182 nan 8.150 nan 0.000 0.491 157 A N 2.149 125.017 122.820 0.081 0.000 2.067 157 A HA 0.453 4.773 4.320 -0.000 0.000 0.219 157 A C 1.430 179.043 177.584 0.048 0.000 1.158 157 A CA 1.476 53.541 52.037 0.047 0.000 0.661 157 A CB -0.846 18.192 19.000 0.063 0.000 0.801 157 A HN 2.813 nan 8.150 nan 0.000 0.452 158 G N -1.439 107.418 108.800 0.094 0.000 2.587 158 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.686 158 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.686 158 G C -0.565 174.433 174.900 0.162 0.000 1.236 158 G CA -0.195 44.961 45.100 0.092 0.000 0.820 158 G HN 0.254 nan 8.290 nan 0.000 0.645 159 N N 0.199 118.986 118.700 0.146 0.000 2.275 159 N HA 0.326 5.066 4.740 -0.000 0.000 0.236 159 N C 1.612 177.235 175.510 0.188 0.000 1.154 159 N CA 0.527 53.719 53.050 0.238 0.000 0.866 159 N CB 1.149 39.641 38.487 0.008 0.000 1.093 159 N HN 0.969 nan 8.380 nan 0.000 0.515 160 A N 0.403 123.297 122.820 0.124 0.000 2.209 160 A HA 0.289 4.609 4.320 -0.000 0.000 0.212 160 A C 1.655 179.307 177.584 0.114 0.000 1.158 160 A CA 0.738 52.828 52.037 0.089 0.000 0.742 160 A CB -0.501 18.520 19.000 0.036 0.000 0.790 160 A HN 0.325 nan 8.150 nan 0.000 0.472 161 G N 0.112 109.013 108.800 0.168 0.000 2.198 161 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 161 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 161 G C -0.212 174.803 174.900 0.191 0.000 1.025 161 G CA 0.954 46.169 45.100 0.191 0.000 0.769 161 G HN 0.975 nan 8.290 nan 0.000 0.507 162 D N -2.414 118.034 120.400 0.081 0.000 2.837 162 D HA 0.634 5.274 4.640 -0.000 0.000 0.294 162 D C 1.042 176.992 176.300 -0.583 0.000 1.158 162 D CA 0.172 54.133 54.000 -0.066 0.000 1.073 162 D CB 0.014 40.772 40.800 -0.071 0.000 1.419 162 D HN 0.453 nan 8.370 nan 0.000 0.584 163 S N -1.413 113.812 115.700 -0.792 0.000 2.597 163 S HA 0.205 4.675 4.470 -0.000 0.000 0.224 163 S C 0.378 174.588 174.600 -0.650 0.000 0.955 163 S CA -0.144 57.447 58.200 -1.016 0.000 0.933 163 S CB -1.156 61.513 63.200 -0.886 0.000 0.788 163 S HN 0.644 nan 8.310 nan 0.000 0.488 164 S N 1.089 116.534 115.700 -0.424 0.000 2.572 164 S HA 0.355 4.824 4.470 -0.000 0.000 0.279 164 S C -0.618 173.777 174.600 -0.341 0.000 1.341 164 S CA -0.464 57.544 58.200 -0.320 0.000 1.043 164 S CB -0.298 62.818 63.200 -0.141 0.000 0.887 164 S HN 0.346 nan 8.310 nan 0.000 0.516 165 Y N 1.294 121.500 120.300 -0.157 0.000 2.336 165 Y HA 0.477 5.027 4.550 -0.000 0.000 0.335 165 Y C 0.968 176.643 175.900 -0.375 0.000 1.046 165 Y CA -0.323 57.589 58.100 -0.312 0.000 1.198 165 Y CB 1.130 39.382 38.460 -0.348 0.000 1.182 165 Y HN 0.797 nan 8.280 nan 0.000 0.502 166 S N 3.727 119.261 115.700 -0.276 0.000 2.475 166 S HA 0.622 5.092 4.470 -0.000 0.000 0.298 166 S C -1.338 172.965 174.600 -0.495 0.000 1.119 166 S CA -0.440 57.630 58.200 -0.216 0.000 1.085 166 S CB 0.261 63.413 63.200 -0.081 0.000 1.028 166 S HN 0.462 nan 8.310 nan 0.000 0.489 167 Y N 3.531 123.770 120.300 -0.101 0.000 2.468 167 Y HA 0.440 4.990 4.550 -0.000 0.000 0.342 167 Y C -1.370 174.506 175.900 -0.041 0.000 1.021 167 Y CA -2.005 55.968 58.100 -0.212 0.000 1.079 167 Y CB 1.521 39.741 38.460 -0.400 0.000 1.226 167 Y HN 0.503 nan 8.280 nan 0.000 0.460 168 P HA -0.104 nan 4.420 nan 0.000 0.237 168 P C 0.927 178.266 177.300 0.064 0.000 1.178 168 P CA 1.304 64.536 63.100 0.221 0.000 0.766 168 P CB 0.109 32.015 31.700 0.343 0.000 0.876 169 A N 0.983 123.784 122.820 -0.033 0.000 1.958 169 A HA -0.172 4.148 4.320 -0.000 0.000 0.221 169 A C 2.272 179.769 177.584 -0.145 0.000 1.178 169 A CA 2.107 54.110 52.037 -0.058 0.000 0.642 169 A CB -1.524 17.446 19.000 -0.050 0.000 0.816 169 A HN 0.257 nan 8.150 nan 0.000 0.453 170 S N -1.487 113.964 115.700 -0.414 0.000 2.650 170 S HA 0.177 4.647 4.470 -0.000 0.000 0.219 170 S C -0.004 174.438 174.600 -0.264 0.000 0.960 170 S CA -0.224 57.687 58.200 -0.483 0.000 0.925 170 S CB -0.390 62.240 63.200 -0.951 0.000 0.775 170 S HN 0.567 nan 8.310 nan 0.000 0.525 171 Y N 1.592 121.904 120.300 0.020 0.000 2.307 171 Y HA 0.129 4.679 4.550 -0.000 0.000 0.324 171 Y C 1.361 177.248 175.900 -0.022 0.000 1.238 171 Y CA -0.911 57.229 58.100 0.066 0.000 1.280 171 Y CB 0.559 39.077 38.460 0.097 0.000 1.248 171 Y HN 0.051 nan 8.280 nan 0.000 0.508 172 D N 0.103 120.595 120.400 0.153 0.000 2.310 172 D HA -0.128 4.512 4.640 -0.000 0.000 0.212 172 D C 1.747 178.002 176.300 -0.075 0.000 0.965 172 D CA 1.439 55.461 54.000 0.036 0.000 0.879 172 D CB -0.018 40.811 40.800 0.047 0.000 0.921 172 D HN 0.529 nan 8.370 nan 0.000 0.510 173 S N -0.507 115.145 115.700 -0.081 0.000 2.603 173 S HA 0.107 4.577 4.470 -0.000 0.000 0.220 173 S C 0.648 175.012 174.600 -0.394 0.000 0.967 173 S CA -0.335 57.657 58.200 -0.346 0.000 0.920 173 S CB 0.323 63.473 63.200 -0.083 0.000 0.773 173 S HN -0.120 nan 8.310 nan 0.000 0.529 174 V N 2.189 122.014 119.914 -0.148 0.000 2.680 174 V HA 0.434 4.554 4.120 -0.000 0.000 0.309 174 V C -0.239 175.823 176.094 -0.054 0.000 1.052 174 V CA -0.917 61.343 62.300 -0.067 0.000 0.908 174 V CB 1.831 33.695 31.823 0.068 0.000 1.001 174 V HN 0.405 nan 8.190 nan 0.000 0.431 175 M N 3.033 122.616 119.600 -0.029 0.000 2.143 175 M HA 0.251 4.731 4.480 -0.000 0.000 0.348 175 M C 0.345 176.662 176.300 0.028 0.000 1.375 175 M CA 0.376 55.678 55.300 0.005 0.000 1.124 175 M CB 1.090 33.706 32.600 0.027 0.000 1.669 175 M HN 0.680 nan 8.290 nan 0.000 0.469 176 S N 3.723 119.436 115.700 0.022 0.000 2.465 176 S HA 0.427 4.897 4.470 -0.000 0.000 0.279 176 S C -0.502 174.127 174.600 0.048 0.000 1.201 176 S CA -0.757 57.458 58.200 0.025 0.000 1.053 176 S CB 0.328 63.528 63.200 0.001 0.000 0.953 176 S HN 0.491 nan 8.310 nan 0.000 0.488 177 V N 5.012 124.968 119.914 0.069 0.000 2.394 177 V HA 0.719 4.839 4.120 -0.000 0.000 0.282 177 V C 0.639 176.795 176.094 0.103 0.000 1.031 177 V CA -0.637 61.716 62.300 0.089 0.000 0.881 177 V CB 0.960 32.846 31.823 0.106 0.000 0.982 177 V HN 1.019 nan 8.190 nan 0.000 0.451 178 A N 3.959 126.842 122.820 0.105 0.000 2.281 178 A HA 0.953 5.273 4.320 -0.000 0.000 0.329 178 A C 0.077 177.733 177.584 0.120 0.000 1.122 178 A CA -0.295 51.816 52.037 0.122 0.000 0.850 178 A CB 1.262 20.341 19.000 0.131 0.000 1.207 178 A HN 1.255 nan 8.150 nan 0.000 0.495 179 A N 0.040 122.916 122.820 0.093 0.000 2.330 179 A HA 0.709 5.028 4.320 -0.000 0.000 0.327 179 A C -0.169 177.404 177.584 -0.018 0.000 1.155 179 A CA -0.059 52.021 52.037 0.071 0.000 0.803 179 A CB 0.757 19.848 19.000 0.152 0.000 1.208 179 A HN 2.167 nan 8.150 nan 0.000 0.477 180 V N -0.112 119.843 119.914 0.067 0.000 3.102 180 V HA 0.831 4.951 4.120 -0.000 0.000 0.312 180 V C -0.632 175.564 176.094 0.170 0.000 1.135 180 V CA -0.780 61.562 62.300 0.070 0.000 1.022 180 V CB 1.846 33.747 31.823 0.129 0.000 1.056 180 V HN 0.961 nan 8.190 nan 0.000 0.436 181 D N 0.797 121.241 120.400 0.074 0.000 2.539 181 D HA 0.323 4.963 4.640 -0.000 0.000 0.276 181 D C 1.279 177.359 176.300 -0.365 0.000 1.206 181 D CA 0.106 54.096 54.000 -0.017 0.000 1.081 181 D CB 0.833 41.570 40.800 -0.106 0.000 1.142 181 D HN 0.845 nan 8.370 nan 0.000 0.595 182 S N -1.477 113.565 115.700 -1.097 0.000 2.595 182 S HA -0.159 4.311 4.470 -0.000 0.000 0.235 182 S C 0.999 175.408 174.600 -0.318 0.000 0.974 182 S CA 0.718 58.038 58.200 -1.466 0.000 0.942 182 S CB -0.716 61.366 63.200 -1.863 0.000 0.766 182 S HN 0.545 nan 8.310 nan 0.000 0.536 183 N N 0.723 119.321 118.700 -0.169 0.000 2.203 183 N HA 0.309 5.049 4.740 -0.000 0.000 0.207 183 N C 0.376 175.912 175.510 0.043 0.000 1.130 183 N CA -0.054 52.984 53.050 -0.019 0.000 0.861 183 N CB -0.341 38.113 38.487 -0.055 0.000 1.005 183 N HN 0.400 nan 8.380 nan 0.000 0.507 184 L N -0.709 120.566 121.223 0.086 0.000 4.560 184 L HA -0.227 4.113 4.340 -0.000 0.000 0.415 184 L C -1.004 175.905 176.870 0.066 0.000 1.123 184 L CA 0.445 55.359 54.840 0.123 0.000 0.991 184 L CB -1.468 40.663 42.059 0.121 0.000 2.127 184 L HN 0.273 nan 8.230 nan 0.000 0.765 185 D N -0.012 120.402 120.400 0.023 0.000 2.302 185 D HA 0.116 4.756 4.640 -0.000 0.000 0.248 185 D C 0.489 176.799 176.300 0.016 0.000 1.094 185 D CA -0.180 53.828 54.000 0.013 0.000 0.897 185 D CB 0.821 41.607 40.800 -0.023 0.000 1.200 185 D HN 0.164 nan 8.370 nan 0.000 0.429 186 H N 0.849 119.879 119.070 -0.066 0.000 2.964 186 H HA 0.154 4.710 4.556 -0.000 0.000 0.328 186 H C -0.684 174.545 175.328 -0.166 0.000 1.030 186 H CA -0.478 55.511 56.048 -0.099 0.000 1.445 186 H CB 0.664 30.366 29.762 -0.101 0.000 1.449 186 H HN 0.339 nan 8.280 nan 0.000 0.581 187 A N 4.318 126.675 122.820 -0.771 0.000 2.492 187 A HA 0.335 4.655 4.320 -0.000 0.000 0.254 187 A C 1.438 178.357 177.584 -1.108 0.000 1.091 187 A CA 0.206 51.694 52.037 -0.915 0.000 0.768 187 A CB -0.087 18.154 19.000 -1.265 0.000 1.028 187 A HN 0.964 nan 8.150 nan 0.000 0.498 188 A N 2.739 125.202 122.820 -0.596 0.000 1.986 188 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 188 A C 1.575 179.045 177.584 -0.190 0.000 1.171 188 A CA 2.005 53.865 52.037 -0.294 0.000 0.640 188 A CB -0.860 18.084 19.000 -0.094 0.000 0.811 188 A HN 1.483 nan 8.150 nan 0.000 0.451 189 F N -1.319 118.600 119.950 -0.051 0.000 2.615 189 F HA 0.318 4.845 4.527 -0.000 0.000 0.297 189 F C 1.062 176.882 175.800 0.033 0.000 1.124 189 F CA 0.262 58.275 58.000 0.022 0.000 1.451 189 F CB -0.617 38.414 39.000 0.052 0.000 1.103 189 F HN 0.025 nan 8.300 nan 0.000 0.569 190 S N 1.916 117.427 115.700 -0.314 0.000 2.481 190 S HA 0.044 4.514 4.470 -0.000 0.000 0.282 190 S C 0.120 174.861 174.600 0.236 0.000 1.243 190 S CA -0.437 57.763 58.200 -0.001 0.000 1.078 190 S CB -0.102 62.962 63.200 -0.227 0.000 0.916 190 S HN 0.456 nan 8.310 nan 0.000 0.495 191 Q N 3.204 123.123 119.800 0.198 0.000 2.315 191 Q HA 0.103 4.443 4.340 -0.000 0.000 0.289 191 Q C -0.803 175.273 176.000 0.126 0.000 1.044 191 Q CA 0.386 56.253 55.803 0.106 0.000 0.920 191 Q CB 0.288 29.018 28.738 -0.013 0.000 1.214 191 Q HN 0.750 nan 8.270 nan 0.000 0.392 192 Y N -0.412 119.881 120.300 -0.011 0.000 2.328 192 Y HA 0.675 5.225 4.550 -0.000 0.000 0.337 192 Y C -0.227 175.596 175.900 -0.129 0.000 0.966 192 Y CA -0.978 57.078 58.100 -0.074 0.000 1.136 192 Y CB 1.038 39.419 38.460 -0.131 0.000 1.170 192 Y HN 0.525 nan 8.280 nan 0.000 0.470 193 T N -1.139 113.358 114.554 -0.095 0.000 2.812 193 T HA 0.262 4.612 4.350 -0.000 0.000 0.294 193 T C -0.137 174.550 174.700 -0.021 0.000 1.159 193 T CA -0.557 61.443 62.100 -0.166 0.000 1.008 193 T CB 1.434 70.171 68.868 -0.217 0.000 1.289 193 T HN 0.605 nan 8.240 nan 0.000 0.514 194 D N -0.376 120.049 120.400 0.043 0.000 2.363 194 D HA 0.011 4.651 4.640 -0.000 0.000 0.226 194 D C 1.336 177.671 176.300 0.058 0.000 1.020 194 D CA 0.374 54.406 54.000 0.052 0.000 0.892 194 D CB 0.031 40.876 40.800 0.075 0.000 0.900 194 D HN 0.420 nan 8.370 nan 0.000 0.531 195 Q N 0.130 119.988 119.800 0.098 0.000 2.373 195 Q HA 0.125 4.465 4.340 -0.000 0.000 0.210 195 Q C 0.447 176.450 176.000 0.006 0.000 0.913 195 Q CA 0.031 55.864 55.803 0.049 0.000 0.911 195 Q CB 0.706 29.478 28.738 0.057 0.000 1.040 195 Q HN 0.204 nan 8.270 nan 0.000 0.521 196 V N 2.692 122.606 119.914 0.000 0.000 2.583 196 V HA -0.154 3.966 4.120 -0.000 0.000 0.302 196 V C 1.428 177.492 176.094 -0.049 0.000 1.033 196 V CA 1.062 63.356 62.300 -0.009 0.000 1.194 196 V CB 0.425 32.248 31.823 -0.000 0.000 0.879 196 V HN 0.349 nan 8.190 nan 0.000 0.482 197 E N 4.225 124.418 120.200 -0.012 0.000 2.332 197 E HA 0.372 4.722 4.350 -0.000 0.000 0.202 197 E C 0.298 176.941 176.600 0.072 0.000 0.877 197 E CA -0.041 56.362 56.400 0.004 0.000 0.979 197 E CB 0.802 30.545 29.700 0.072 0.000 0.969 197 E HN 0.678 nan 8.360 nan 0.000 0.495 198 I N -0.240 120.376 120.570 0.076 0.000 3.004 198 I HA 0.253 4.423 4.170 -0.000 0.000 0.305 198 I C -1.479 174.691 176.117 0.087 0.000 1.312 198 I CA -0.618 60.743 61.300 0.102 0.000 0.992 198 I CB 2.353 40.422 38.000 0.115 0.000 1.282 198 I HN -0.126 nan 8.210 nan 0.000 0.449 199 S N 1.849 117.605 115.700 0.093 0.000 2.607 199 S HA 0.942 5.412 4.470 -0.000 0.000 0.303 199 S C -0.404 174.251 174.600 0.092 0.000 1.086 199 S CA -0.473 57.784 58.200 0.096 0.000 0.995 199 S CB 1.861 65.121 63.200 0.100 0.000 1.084 199 S HN 0.889 nan 8.310 nan 0.000 0.507 200 G N 0.753 109.601 108.800 0.081 0.000 2.695 200 G HA2 0.632 4.592 3.960 -0.000 0.000 0.290 200 G HA3 0.632 4.592 3.960 -0.000 0.000 0.290 200 G C -3.519 171.347 174.900 -0.056 0.000 1.410 200 G CA -1.620 43.491 45.100 0.019 0.000 0.844 200 G HN 0.374 nan 8.290 nan 0.000 0.478 201 P HA 0.235 nan 4.420 nan 0.000 0.262 201 P C 0.631 177.821 177.300 -0.185 0.000 1.199 201 P CA 0.556 63.374 63.100 -0.470 0.000 0.763 201 P CB 1.171 31.984 31.700 -1.478 0.000 0.790 202 G N 1.906 110.787 108.800 0.136 0.000 4.000 202 G HA2 0.104 4.064 3.960 -0.000 0.000 0.260 202 G HA3 0.104 4.064 3.960 -0.000 0.000 0.260 202 G C -0.202 174.930 174.900 0.386 0.000 1.047 202 G CA 0.130 45.382 45.100 0.254 0.000 0.860 202 G HN 0.429 nan 8.290 nan 0.000 0.464 203 E N 0.747 121.195 120.200 0.415 0.000 2.199 203 E HA 0.581 4.931 4.350 -0.000 0.000 0.265 203 E C 0.264 177.127 176.600 0.439 0.000 0.882 203 E CA 0.008 56.638 56.400 0.384 0.000 0.759 203 E CB 1.352 31.202 29.700 0.250 0.000 1.148 203 E HN 0.942 nan 8.360 nan 0.000 0.412 204 A N 4.922 127.959 122.820 0.362 0.000 2.475 204 A HA -0.131 4.189 4.320 -0.000 0.000 0.295 204 A C -0.513 177.475 177.584 0.673 0.000 1.457 204 A CA 0.581 52.896 52.037 0.463 0.000 0.734 204 A CB -1.851 17.310 19.000 0.267 0.000 1.118 204 A HN 0.395 nan 8.150 nan 0.000 0.400 205 I N 1.151 121.995 120.570 0.457 0.000 2.307 205 I HA 0.367 4.537 4.170 -0.000 0.000 0.289 205 I C 0.295 176.456 176.117 0.074 0.000 1.021 205 I CA -0.814 60.624 61.300 0.230 0.000 1.224 205 I CB 1.032 39.171 38.000 0.230 0.000 1.376 205 I HN 0.543 nan 8.210 nan 0.000 0.470 206 L N 6.634 127.674 121.223 -0.305 0.000 2.331 206 L HA 0.540 4.880 4.340 -0.000 0.000 0.278 206 L C 0.194 176.807 176.870 -0.428 0.000 1.106 206 L CA 0.999 55.468 54.840 -0.618 0.000 0.824 206 L CB 1.057 42.568 42.059 -0.913 0.000 1.142 206 L HN 0.718 nan 8.230 nan 0.000 0.443 207 S N 1.572 116.967 115.700 -0.508 0.000 2.727 207 S HA 0.611 5.081 4.470 -0.000 0.000 0.278 207 S C -0.885 173.468 174.600 -0.411 0.000 1.186 207 S CA -0.103 57.708 58.200 -0.647 0.000 0.836 207 S CB 0.953 63.355 63.200 -1.330 0.000 1.186 207 S HN 0.910 nan 8.310 nan 0.000 0.499 208 T N 0.502 114.803 114.554 -0.422 0.000 2.919 208 T HA 0.587 4.937 4.350 -0.000 0.000 0.302 208 T C 0.317 174.752 174.700 -0.440 0.000 1.031 208 T CA -0.062 61.730 62.100 -0.513 0.000 1.127 208 T CB 0.340 68.721 68.868 -0.812 0.000 0.952 208 T HN 1.349 nan 8.240 nan 0.000 0.540 209 V N -1.076 118.654 119.914 -0.308 0.000 3.130 209 V HA 0.668 4.788 4.120 -0.000 0.000 0.310 209 V C 0.099 176.162 176.094 -0.051 0.000 1.158 209 V CA -1.353 60.864 62.300 -0.138 0.000 1.029 209 V CB 1.264 33.065 31.823 -0.037 0.000 1.057 209 V HN 0.982 nan 8.190 nan 0.000 0.436 210 T N 2.012 116.561 114.554 -0.009 0.000 2.891 210 T HA 0.172 4.522 4.350 -0.000 0.000 0.296 210 T C 0.398 175.092 174.700 -0.010 0.000 1.025 210 T CA 0.166 62.270 62.100 0.007 0.000 1.149 210 T CB 0.252 69.132 68.868 0.018 0.000 1.007 210 T HN 0.856 nan 8.240 nan 0.000 0.528 211 V N 4.163 124.054 119.914 -0.039 0.000 2.678 211 V HA 0.195 4.314 4.120 -0.000 0.000 0.304 211 V C 1.741 177.795 176.094 -0.067 0.000 1.086 211 V CA 1.596 63.827 62.300 -0.115 0.000 1.246 211 V CB -0.327 31.406 31.823 -0.149 0.000 0.861 211 V HN 1.295 nan 8.190 nan 0.000 0.491 212 G N 3.732 112.493 108.800 -0.066 0.000 2.205 212 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.261 212 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.261 212 G C 0.511 175.415 174.900 0.007 0.000 0.980 212 G CA 0.438 45.523 45.100 -0.025 0.000 0.632 212 G HN 0.736 nan 8.290 nan 0.000 0.533 213 E N 0.461 120.671 120.200 0.016 0.000 2.474 213 E HA 0.332 4.682 4.350 -0.000 0.000 0.195 213 E C 1.720 178.368 176.600 0.080 0.000 1.039 213 E CA 0.155 56.584 56.400 0.048 0.000 0.881 213 E CB 0.527 30.260 29.700 0.056 0.000 0.970 213 E HN 0.534 nan 8.360 nan 0.000 0.486 214 G N 1.111 109.954 108.800 0.073 0.000 2.543 214 G HA2 0.455 4.415 3.960 -0.000 0.000 0.290 214 G HA3 0.455 4.415 3.960 -0.000 0.000 0.290 214 G C -0.436 174.545 174.900 0.135 0.000 1.310 214 G CA -0.429 44.741 45.100 0.117 0.000 1.025 214 G HN 0.005 nan 8.290 nan 0.000 0.502 215 R N -1.196 119.411 120.500 0.178 0.000 2.594 215 R HA 0.545 4.885 4.340 -0.000 0.000 0.265 215 R C -1.603 174.840 176.300 0.238 0.000 1.070 215 R CA -0.573 55.634 56.100 0.180 0.000 0.909 215 R CB 1.398 31.794 30.300 0.160 0.000 1.243 215 R HN 0.458 nan 8.270 nan 0.000 0.455 216 L N 1.531 122.894 121.223 0.235 0.000 2.322 216 L HA 0.921 5.261 4.340 -0.000 0.000 0.252 216 L C -0.808 176.208 176.870 0.242 0.000 1.055 216 L CA -1.057 53.969 54.840 0.309 0.000 0.849 216 L CB 2.297 44.594 42.059 0.397 0.000 1.446 216 L HN 0.819 nan 8.230 nan 0.000 0.416 217 A N 0.104 123.082 122.820 0.262 0.000 2.527 217 A HA 0.836 5.155 4.320 -0.000 0.000 0.293 217 A C -1.976 175.754 177.584 0.242 0.000 1.117 217 A CA -0.314 51.824 52.037 0.169 0.000 0.723 217 A CB 2.156 21.186 19.000 0.050 0.000 1.313 217 A HN 0.636 nan 8.150 nan 0.000 0.411 218 D N -0.677 119.831 120.400 0.180 0.000 2.623 218 D HA 0.604 5.244 4.640 -0.000 0.000 0.241 218 D C -1.703 174.688 176.300 0.151 0.000 1.241 218 D CA -0.119 54.016 54.000 0.225 0.000 0.788 218 D CB 1.542 42.484 40.800 0.237 0.000 1.413 218 D HN 0.442 nan 8.370 nan 0.000 0.429 219 I N 1.435 122.122 120.570 0.195 0.000 2.512 219 I HA 0.328 4.498 4.170 -0.000 0.000 0.287 219 I C -0.634 175.653 176.117 0.283 0.000 1.069 219 I CA -0.423 60.996 61.300 0.198 0.000 1.056 219 I CB 2.356 40.450 38.000 0.158 0.000 1.229 219 I HN 0.115 nan 8.210 nan 0.000 0.429 220 T N 6.972 121.640 114.554 0.189 0.000 2.824 220 T HA 0.704 5.054 4.350 -0.000 0.000 0.282 220 T C -0.437 174.338 174.700 0.126 0.000 0.993 220 T CA -0.407 61.772 62.100 0.133 0.000 0.967 220 T CB 1.599 70.510 68.868 0.072 0.000 0.960 220 T HN 0.281 nan 8.240 nan 0.000 0.441 221 I N 1.416 122.042 120.570 0.095 0.000 2.607 221 I HA 0.479 4.649 4.170 -0.000 0.000 0.290 221 I C 0.849 176.977 176.117 0.019 0.000 1.129 221 I CA -0.789 60.563 61.300 0.086 0.000 1.042 221 I CB 2.049 40.154 38.000 0.174 0.000 1.242 221 I HN 0.892 nan 8.210 nan 0.000 0.421 222 G N 3.919 112.730 108.800 0.017 0.000 2.249 222 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.273 222 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.273 222 G C 1.005 175.896 174.900 -0.015 0.000 1.036 222 G CA 0.683 45.782 45.100 -0.001 0.000 0.824 222 G HN 1.702 nan 8.290 nan 0.000 0.504 223 G N -2.360 106.433 108.800 -0.011 0.000 2.184 223 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.264 223 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.264 223 G C 0.267 175.145 174.900 -0.037 0.000 0.975 223 G CA 1.224 46.314 45.100 -0.017 0.000 0.642 223 G HN 1.121 nan 8.290 nan 0.000 0.536 224 Q N 0.057 119.819 119.800 -0.064 0.000 2.306 224 Q HA 0.669 5.009 4.340 -0.000 0.000 0.265 224 Q C -0.176 175.735 176.000 -0.147 0.000 1.022 224 Q CA -0.211 55.523 55.803 -0.114 0.000 0.853 224 Q CB 1.894 30.533 28.738 -0.165 0.000 1.327 224 Q HN 0.310 nan 8.270 nan 0.000 0.449 225 S N 0.696 116.321 115.700 -0.125 0.000 2.549 225 S HA 0.427 4.896 4.470 -0.000 0.000 0.297 225 S C -0.433 174.106 174.600 -0.102 0.000 1.115 225 S CA -0.303 57.866 58.200 -0.051 0.000 1.059 225 S CB 0.425 63.654 63.200 0.049 0.000 1.046 225 S HN 0.527 nan 8.310 nan 0.000 0.506 226 Y N 3.323 123.681 120.300 0.098 0.000 2.468 226 Y HA 0.243 4.793 4.550 -0.000 0.000 0.268 226 Y C 1.149 177.114 175.900 0.108 0.000 1.177 226 Y CA -0.423 57.723 58.100 0.077 0.000 1.265 226 Y CB -0.282 38.197 38.460 0.031 0.000 1.103 226 Y HN 0.864 nan 8.280 nan 0.000 0.522 227 F N 1.289 121.320 119.950 0.135 0.000 2.087 227 F HA -0.368 4.159 4.527 -0.000 0.000 0.299 227 F C 2.575 178.447 175.800 0.120 0.000 1.100 227 F CA 2.130 60.198 58.000 0.114 0.000 1.226 227 F CB -0.340 38.701 39.000 0.068 0.000 0.983 227 F HN 0.107 nan 8.300 nan 0.000 0.479 228 S N -0.495 115.380 115.700 0.291 0.000 2.474 228 S HA -0.158 4.312 4.470 -0.000 0.000 0.235 228 S C 1.472 176.139 174.600 0.113 0.000 0.997 228 S CA 1.275 59.589 58.200 0.190 0.000 0.949 228 S CB -0.801 62.507 63.200 0.179 0.000 0.766 228 S HN 0.507 nan 8.310 nan 0.000 0.517 229 N N 1.677 120.446 118.700 0.114 0.000 2.409 229 N HA 0.314 5.053 4.740 -0.000 0.000 0.179 229 N C 0.672 176.205 175.510 0.037 0.000 1.032 229 N CA 0.948 54.058 53.050 0.100 0.000 0.898 229 N CB -0.009 38.573 38.487 0.157 0.000 0.971 229 N HN 0.673 nan 8.380 nan 0.000 0.441 230 G N -0.322 108.468 108.800 -0.017 0.000 3.224 230 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.684 230 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.684 230 G C -1.258 173.540 174.900 -0.170 0.000 1.180 230 G CA -0.758 44.307 45.100 -0.059 0.000 1.099 230 G HN 0.056 nan 8.290 nan 0.000 0.476 231 V N 2.929 122.690 119.914 -0.256 0.000 2.409 231 V HA 0.595 4.715 4.120 -0.000 0.000 0.290 231 V C 0.471 176.343 176.094 -0.371 0.000 1.017 231 V CA -0.913 61.243 62.300 -0.241 0.000 0.841 231 V CB 1.816 33.580 31.823 -0.099 0.000 1.003 231 V HN 0.823 nan 8.190 nan 0.000 0.426 232 V N 7.819 127.466 119.914 -0.446 0.000 2.370 232 V HA 0.393 4.513 4.120 -0.000 0.000 0.279 232 V C -2.014 173.931 176.094 -0.248 0.000 1.029 232 V CA -1.902 60.103 62.300 -0.491 0.000 0.870 232 V CB 1.940 33.440 31.823 -0.539 0.000 0.984 232 V HN 0.693 nan 8.190 nan 0.000 0.451 233 P HA 0.093 nan 4.420 nan 0.000 0.276 233 P C -0.402 176.899 177.300 0.002 0.000 1.235 233 P CA -0.247 62.833 63.100 -0.034 0.000 0.772 233 P CB 0.403 32.138 31.700 0.058 0.000 0.871 234 H N 2.459 121.514 119.070 -0.025 0.000 3.107 234 H HA -0.039 4.516 4.556 -0.000 0.000 0.301 234 H C 0.936 176.251 175.328 -0.022 0.000 0.981 234 H CA 0.688 56.717 56.048 -0.032 0.000 1.443 234 H CB -0.467 29.283 29.762 -0.021 0.000 1.479 234 H HN 0.467 nan 8.280 nan 0.000 0.564 235 N N 4.369 123.127 118.700 0.098 0.000 2.671 235 N HA -0.017 4.723 4.740 -0.000 0.000 0.274 235 N C 0.095 175.624 175.510 0.032 0.000 1.188 235 N CA -0.327 52.736 53.050 0.022 0.000 1.065 235 N CB 0.223 38.642 38.487 -0.113 0.000 1.415 235 N HN 0.415 nan 8.380 nan 0.000 0.511 236 R N 3.637 124.163 120.500 0.043 0.000 2.389 236 R HA 0.279 4.619 4.340 -0.000 0.000 0.295 236 R C -0.872 175.447 176.300 0.031 0.000 1.075 236 R CA -0.045 56.064 56.100 0.015 0.000 1.005 236 R CB 0.574 30.890 30.300 0.025 0.000 0.987 236 R HN 0.443 nan 8.270 nan 0.000 0.452 237 L N 3.826 125.049 121.223 -0.001 0.000 2.386 237 L HA 0.498 4.838 4.340 -0.000 0.000 0.271 237 L C -0.270 176.668 176.870 0.113 0.000 0.993 237 L CA -0.886 53.971 54.840 0.028 0.000 0.819 237 L CB 2.289 44.293 42.059 -0.091 0.000 1.294 237 L HN 0.823 nan 8.230 nan 0.000 0.414 238 T N -0.856 113.838 114.554 0.232 0.000 2.916 238 T HA 0.611 4.961 4.350 -0.000 0.000 0.292 238 T C -2.919 171.904 174.700 0.205 0.000 1.064 238 T CA -2.348 59.913 62.100 0.268 0.000 1.011 238 T CB 2.069 71.001 68.868 0.106 0.000 1.152 238 T HN 0.282 nan 8.240 nan 0.000 0.510 239 P HA 0.193 nan 4.420 nan 0.000 0.265 239 P C -0.461 176.725 177.300 -0.190 0.000 1.193 239 P CA 0.067 62.937 63.100 -0.384 0.000 0.765 239 P CB 0.735 32.246 31.700 -0.315 0.000 0.823 240 S N 2.175 117.748 115.700 -0.211 0.000 2.356 240 S HA 0.530 5.000 4.470 -0.000 0.000 0.171 240 S C 0.486 175.017 174.600 -0.115 0.000 1.399 240 S CA 0.388 58.520 58.200 -0.113 0.000 1.225 240 S CB -0.740 62.422 63.200 -0.063 0.000 1.271 240 S HN 0.927 nan 8.310 nan 0.000 0.427 241 G N 3.125 111.860 108.800 -0.108 0.000 2.652 241 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.278 241 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.278 241 G C 0.915 175.747 174.900 -0.113 0.000 1.263 241 G CA 0.669 45.715 45.100 -0.090 0.000 0.966 241 G HN 1.152 nan 8.290 nan 0.000 0.544 242 T N 0.686 115.179 114.554 -0.101 0.000 3.040 242 T HA 0.574 4.924 4.350 -0.000 0.000 0.250 242 T C 1.170 175.792 174.700 -0.130 0.000 1.058 242 T CA 1.767 63.806 62.100 -0.102 0.000 0.988 242 T CB -0.603 68.227 68.868 -0.064 0.000 0.993 242 T HN 1.663 nan 8.240 nan 0.000 0.519 243 S N -0.981 114.625 115.700 -0.156 0.000 3.081 243 S HA 0.714 5.184 4.470 -0.000 0.000 0.316 243 S C -1.433 172.997 174.600 -0.283 0.000 1.089 243 S CA -0.837 57.270 58.200 -0.156 0.000 0.897 243 S CB 0.867 64.031 63.200 -0.059 0.000 1.358 243 S HN 0.172 nan 8.310 nan 0.000 0.678 244 Y N 0.102 120.347 120.300 -0.092 0.000 2.468 244 Y HA 0.797 5.347 4.550 0.000 0.000 0.342 244 Y C 0.313 176.162 175.900 -0.085 0.000 1.021 244 Y CA -0.198 57.845 58.100 -0.096 0.000 1.079 244 Y CB 2.125 40.499 38.460 -0.144 0.000 1.226 244 Y HN 1.073 nan 8.280 nan 0.000 0.460 245 A N 3.300 126.190 122.820 0.117 0.000 2.515 245 A HA 0.740 5.060 4.320 -0.000 0.000 0.296 245 A C -2.980 174.645 177.584 0.068 0.000 1.094 245 A CA -2.069 50.002 52.037 0.057 0.000 0.718 245 A CB 1.427 20.441 19.000 0.022 0.000 1.307 245 A HN 0.429 nan 8.150 nan 0.000 0.408 246 P HA 0.319 nan 4.420 nan 0.000 0.267 246 P C -0.348 176.981 177.300 0.049 0.000 1.205 246 P CA 0.395 63.528 63.100 0.055 0.000 0.765 246 P CB 1.143 32.872 31.700 0.048 0.000 0.828 247 A N 5.041 127.892 122.820 0.052 0.000 3.370 247 A HA 0.414 4.734 4.320 -0.000 0.000 0.295 247 A C -2.403 175.208 177.584 0.046 0.000 1.030 247 A CA -1.276 50.788 52.037 0.046 0.000 0.883 247 A CB 0.383 19.411 19.000 0.047 0.000 1.191 247 A HN 0.357 nan 8.150 nan 0.000 0.507 248 P HA 0.227 nan 4.420 nan 0.000 0.271 248 P C -0.493 176.838 177.300 0.052 0.000 1.216 248 P CA 0.119 63.252 63.100 0.057 0.000 0.776 248 P CB 1.182 32.919 31.700 0.061 0.000 0.881 249 I N 3.654 124.258 120.570 0.057 0.000 2.306 249 I HA 0.200 4.370 4.170 -0.000 0.000 0.288 249 I C 0.302 176.451 176.117 0.053 0.000 1.036 249 I CA -0.402 60.928 61.300 0.050 0.000 1.221 249 I CB 0.032 38.062 38.000 0.050 0.000 1.385 249 I HN 0.217 nan 8.210 nan 0.000 0.472 250 N N 6.512 125.241 118.700 0.049 0.000 2.546 250 N HA 0.717 5.456 4.740 -0.000 0.000 0.238 250 N C -0.352 175.184 175.510 0.043 0.000 0.984 250 N CA -0.129 52.951 53.050 0.051 0.000 0.935 250 N CB 2.273 40.792 38.487 0.053 0.000 1.122 250 N HN 0.740 nan 8.380 nan 0.000 0.510 251 A N 0.792 123.638 122.820 0.043 0.000 2.511 251 A HA 0.754 5.074 4.320 -0.000 0.000 0.293 251 A C -1.062 176.545 177.584 0.038 0.000 1.098 251 A CA -0.580 51.480 52.037 0.037 0.000 0.643 251 A CB 0.933 19.953 19.000 0.032 0.000 1.302 251 A HN 0.293 nan 8.150 nan 0.000 0.446 252 S N -0.781 114.940 115.700 0.034 0.000 2.536 252 S HA 0.871 5.341 4.470 -0.000 0.000 0.298 252 S C -0.367 174.251 174.600 0.029 0.000 1.083 252 S CA 0.089 58.310 58.200 0.034 0.000 0.995 252 S CB 1.735 64.955 63.200 0.034 0.000 1.058 252 S HN 1.931 nan 8.310 nan 0.000 0.488 253 A N 1.735 124.572 122.820 0.029 0.000 2.455 253 A HA 0.813 5.133 4.320 -0.000 0.000 0.300 253 A C -0.717 176.883 177.584 0.026 0.000 1.040 253 A CA -0.674 51.378 52.037 0.025 0.000 0.697 253 A CB 1.504 20.518 19.000 0.024 0.000 1.265 253 A HN 0.593 nan 8.150 nan 0.000 0.407 254 T N 0.630 115.198 114.554 0.024 0.000 2.886 254 T HA 0.843 5.193 4.350 -0.000 0.000 0.292 254 T C 0.015 174.728 174.700 0.021 0.000 1.012 254 T CA 0.056 62.171 62.100 0.024 0.000 0.982 254 T CB 1.840 70.722 68.868 0.024 0.000 1.018 254 T HN 1.837 nan 8.240 nan 0.000 0.451 255 G N 0.710 109.523 108.800 0.022 0.000 2.356 255 G HA2 0.610 4.570 3.960 -0.000 0.000 0.294 255 G HA3 0.610 4.570 3.960 -0.000 0.000 0.294 255 G C -1.294 173.619 174.900 0.020 0.000 1.423 255 G CA -0.397 44.715 45.100 0.019 0.000 0.806 255 G HN 0.894 nan 8.290 nan 0.000 0.527 256 A N -0.366 122.465 122.820 0.018 0.000 2.477 256 A HA 0.537 4.857 4.320 -0.000 0.000 0.246 256 A C 0.232 177.827 177.584 0.018 0.000 1.078 256 A CA -0.087 51.960 52.037 0.018 0.000 0.770 256 A CB 0.613 19.622 19.000 0.016 0.000 1.011 256 A HN 1.629 nan 8.150 nan 0.000 0.494 257 L N 2.560 123.793 121.223 0.017 0.000 2.360 257 L HA 0.528 4.868 4.340 -0.000 0.000 0.276 257 L C 0.341 177.218 176.870 0.013 0.000 1.121 257 L CA 0.825 55.673 54.840 0.012 0.000 0.845 257 L CB 0.434 42.496 42.059 0.007 0.000 1.143 257 L HN 0.851 nan 8.230 nan 0.000 0.452 258 A N 4.897 127.728 122.820 0.017 0.000 2.449 258 A HA 0.633 4.953 4.320 -0.000 0.000 0.302 258 A C -0.982 176.623 177.584 0.035 0.000 1.048 258 A CA -0.670 51.381 52.037 0.023 0.000 0.708 258 A CB 1.128 20.142 19.000 0.024 0.000 1.274 258 A HN 0.721 nan 8.150 nan 0.000 0.410 259 E N 0.903 121.129 120.200 0.044 0.000 2.179 259 E HA 0.435 4.785 4.350 -0.000 0.000 0.275 259 E C -0.984 175.668 176.600 0.086 0.000 0.945 259 E CA -0.558 55.887 56.400 0.074 0.000 0.792 259 E CB 1.508 31.255 29.700 0.078 0.000 1.125 259 E HN 0.706 nan 8.360 nan 0.000 0.397 260 c N 5.108 123.777 118.600 0.116 0.000 2.227 260 c HA 0.334 4.904 4.570 -0.000 0.000 0.333 260 c C 0.168 174.349 174.090 0.152 0.000 1.145 260 c CA -0.292 56.119 56.329 0.137 0.000 1.643 260 c CB -1.352 41.257 42.510 0.165 0.000 2.185 260 c HN 0.728 nan 8.230 nan 0.000 0.497 261 T N 5.251 119.867 114.554 0.102 0.000 2.928 261 T HA 0.181 4.531 4.350 -0.000 0.000 0.305 261 T C 0.141 174.850 174.700 0.016 0.000 1.035 261 T CA 0.135 62.273 62.100 0.062 0.000 1.145 261 T CB 0.496 69.386 68.868 0.036 0.000 0.963 261 T HN 0.561 nan 8.240 nan 0.000 0.545 262 V N 5.551 125.433 119.914 -0.053 0.000 2.370 262 V HA 0.322 4.442 4.120 -0.000 0.000 0.279 262 V C 0.132 176.119 176.094 -0.178 0.000 1.029 262 V CA -0.840 61.330 62.300 -0.217 0.000 0.870 262 V CB 0.992 32.657 31.823 -0.263 0.000 0.984 262 V HN 0.791 nan 8.190 nan 0.000 0.451 263 N N 4.533 123.109 118.700 -0.206 0.000 2.626 263 N HA 0.477 5.217 4.740 -0.000 0.000 0.249 263 N C 0.746 176.161 175.510 -0.157 0.000 1.021 263 N CA 0.607 53.576 53.050 -0.136 0.000 0.886 263 N CB 1.887 40.323 38.487 -0.084 0.000 1.149 263 N HN 0.920 nan 8.380 nan 0.000 0.517 264 G N 2.449 111.163 108.800 -0.144 0.000 2.889 264 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.308 264 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.308 264 G C 0.684 175.476 174.900 -0.180 0.000 1.248 264 G CA 1.172 46.194 45.100 -0.129 0.000 0.982 264 G HN 0.613 nan 8.290 nan 0.000 0.571 265 T N -1.781 112.665 114.554 -0.180 0.000 3.058 265 T HA 0.595 4.944 4.350 -0.000 0.000 0.278 265 T C 0.884 175.427 174.700 -0.262 0.000 0.974 265 T CA 1.228 63.207 62.100 -0.201 0.000 0.893 265 T CB 0.144 68.962 68.868 -0.084 0.000 1.138 265 T HN 1.835 nan 8.240 nan 0.000 0.529 266 S N 0.813 116.360 115.700 -0.254 0.000 2.654 266 S HA 0.785 5.255 4.470 -0.000 0.000 0.283 266 S C -0.932 173.466 174.600 -0.338 0.000 1.180 266 S CA -0.771 57.338 58.200 -0.152 0.000 1.021 266 S CB 0.619 63.794 63.200 -0.042 0.000 1.018 266 S HN 0.197 nan 8.310 nan 0.000 0.532 267 F N 0.602 120.548 119.950 -0.008 0.000 2.495 267 F HA 0.582 5.109 4.527 0.000 0.000 0.327 267 F C 0.781 176.581 175.800 -0.000 0.000 1.103 267 F CA -0.833 57.164 58.000 -0.006 0.000 0.949 267 F CB 2.233 41.230 39.000 -0.006 0.000 1.142 267 F HN 0.641 nan 8.300 nan 0.000 0.457 268 S N 1.679 117.475 115.700 0.161 0.000 2.497 268 S HA 0.250 4.720 4.470 -0.000 0.000 0.176 268 S C 0.542 175.204 174.600 0.103 0.000 1.445 268 S CA -0.492 57.768 58.200 0.099 0.000 1.092 268 S CB -0.475 62.756 63.200 0.052 0.000 1.216 268 S HN 0.825 nan 8.310 nan 0.000 0.486 269 c N 1.805 120.472 118.600 0.111 0.000 2.486 269 c HA 0.409 4.979 4.570 -0.000 0.000 0.279 269 c C 2.050 176.170 174.090 0.051 0.000 1.302 269 c CA 0.538 56.914 56.329 0.079 0.000 1.720 269 c CB -1.606 40.936 42.510 0.054 0.000 2.030 269 c HN 1.032 nan 8.230 nan 0.000 0.490 270 G N 0.825 109.651 108.800 0.043 0.000 2.509 270 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.259 270 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.259 270 G C -0.323 174.591 174.900 0.023 0.000 1.169 270 G CA 0.333 45.452 45.100 0.031 0.000 0.953 270 G HN 0.575 nan 8.290 nan 0.000 0.563 271 N N 0.806 119.518 118.700 0.020 0.000 2.485 271 N HA 0.569 5.309 4.740 -0.000 0.000 0.243 271 N C 1.136 176.655 175.510 0.015 0.000 0.987 271 N CA -0.451 52.608 53.050 0.015 0.000 0.940 271 N CB 0.477 38.971 38.487 0.013 0.000 1.122 271 N HN 0.368 nan 8.380 nan 0.000 0.509 272 M N 1.690 121.298 119.600 0.013 0.000 2.505 272 M HA 0.253 4.733 4.480 -0.000 0.000 0.230 272 M C 0.277 176.583 176.300 0.011 0.000 1.153 272 M CA -0.233 55.075 55.300 0.013 0.000 0.997 272 M CB -0.990 31.617 32.600 0.011 0.000 1.606 272 M HN 0.547 nan 8.290 nan 0.000 0.481 273 A N 1.852 124.678 122.820 0.010 0.000 2.546 273 A HA 0.105 4.425 4.320 -0.000 0.000 0.243 273 A C 0.968 178.558 177.584 0.011 0.000 1.063 273 A CA 0.200 52.243 52.037 0.009 0.000 0.757 273 A CB -0.171 18.834 19.000 0.008 0.000 0.991 273 A HN 0.703 nan 8.150 nan 0.000 0.503 274 N N -0.189 118.517 118.700 0.011 0.000 2.708 274 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 274 N C -0.457 175.061 175.510 0.013 0.000 1.123 274 N CA 1.625 54.682 53.050 0.012 0.000 0.739 274 N CB -0.672 37.822 38.487 0.011 0.000 1.113 274 N HN 0.734 nan 8.380 nan 0.000 0.561 275 K N 0.337 120.746 120.400 0.014 0.000 2.395 275 K HA 0.490 4.810 4.320 -0.000 0.000 0.247 275 K C 0.202 176.811 176.600 0.016 0.000 0.973 275 K CA -0.772 55.524 56.287 0.015 0.000 0.828 275 K CB 1.846 34.356 32.500 0.016 0.000 1.272 275 K HN -0.114 nan 8.250 nan 0.000 0.439 276 I N 1.457 122.037 120.570 0.017 0.000 2.304 276 I HA 0.095 4.265 4.170 -0.000 0.000 0.291 276 I C 0.245 176.373 176.117 0.017 0.000 1.018 276 I CA -0.790 60.519 61.300 0.016 0.000 1.260 276 I CB 0.781 38.790 38.000 0.015 0.000 1.390 276 I HN 0.471 nan 8.210 nan 0.000 0.475 277 c N 8.526 127.138 118.600 0.020 0.000 2.303 277 c HA 0.467 5.037 4.570 -0.000 0.000 0.341 277 c C 0.094 174.210 174.090 0.044 0.000 1.244 277 c CA -0.585 55.762 56.329 0.030 0.000 1.765 277 c CB -0.357 42.167 42.510 0.024 0.000 2.379 277 c HN 0.619 nan 8.230 nan 0.000 0.530 278 L N 7.253 128.512 121.223 0.060 0.000 2.292 278 L HA 0.800 5.140 4.340 -0.000 0.000 0.284 278 L C -0.359 176.618 176.870 0.180 0.000 1.065 278 L CA 0.407 55.309 54.840 0.103 0.000 0.806 278 L CB 1.445 43.538 42.059 0.058 0.000 1.175 278 L HN 0.554 nan 8.230 nan 0.000 0.431 279 V N 5.139 125.192 119.914 0.232 0.000 2.891 279 V HA 0.395 4.515 4.120 -0.000 0.000 0.304 279 V C -0.726 175.318 176.094 -0.084 0.000 1.171 279 V CA -0.644 61.756 62.300 0.167 0.000 0.943 279 V CB 2.069 33.965 31.823 0.122 0.000 1.037 279 V HN 0.923 nan 8.190 nan 0.000 0.427 280 E N 5.139 125.112 120.200 -0.378 0.000 2.338 280 E HA 0.276 4.626 4.350 -0.000 0.000 0.272 280 E C 0.103 176.488 176.600 -0.357 0.000 1.029 280 E CA -0.583 55.246 56.400 -0.951 0.000 0.872 280 E CB 0.761 30.021 29.700 -0.734 0.000 1.015 280 E HN 0.685 nan 8.360 nan 0.000 0.417 281 R N 3.254 123.555 120.500 -0.331 0.000 2.489 281 R HA 0.110 4.450 4.340 -0.000 0.000 0.287 281 R C -1.139 175.114 176.300 -0.079 0.000 1.053 281 R CA -0.282 55.748 56.100 -0.117 0.000 1.036 281 R CB 0.554 30.799 30.300 -0.091 0.000 0.966 281 R HN 0.283 nan 8.270 nan 0.000 0.432 282 V N 5.570 125.492 119.914 0.013 0.000 2.328 282 V HA 0.523 4.643 4.120 -0.000 0.000 0.278 282 V C 0.695 176.793 176.094 0.006 0.000 1.021 282 V CA 0.540 62.842 62.300 0.003 0.000 0.838 282 V CB 0.529 32.396 31.823 0.074 0.000 0.999 282 V HN 1.158 nan 8.190 nan 0.000 0.447 283 G N 5.363 114.148 108.800 -0.026 0.000 2.728 283 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.294 283 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.294 283 G C -0.880 174.004 174.900 -0.026 0.000 1.342 283 G CA -0.364 44.721 45.100 -0.024 0.000 0.866 283 G HN 0.795 nan 8.290 nan 0.000 0.534 284 N N -0.883 117.798 118.700 -0.031 0.000 2.484 284 N HA 0.456 5.196 4.740 -0.000 0.000 0.269 284 N C -0.483 175.004 175.510 -0.038 0.000 1.237 284 N CA -0.703 52.331 53.050 -0.028 0.000 0.838 284 N CB 2.029 40.495 38.487 -0.035 0.000 1.593 284 N HN 0.888 nan 8.380 nan 0.000 0.485 285 Q N 0.627 120.419 119.800 -0.013 0.000 2.337 285 Q HA 0.421 4.761 4.340 -0.000 0.000 0.270 285 Q C 0.078 176.030 176.000 -0.078 0.000 1.002 285 Q CA 0.842 56.624 55.803 -0.035 0.000 0.888 285 Q CB 0.426 29.230 28.738 0.109 0.000 1.222 285 Q HN 0.832 nan 8.270 nan 0.000 0.400 286 G N 1.001 109.685 108.800 -0.194 0.000 2.440 286 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.114 286 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.114 286 G C 0.367 175.135 174.900 -0.220 0.000 0.940 286 G CA 0.234 45.250 45.100 -0.140 0.000 1.305 286 G HN 0.681 nan 8.290 nan 0.000 0.525 287 S N 0.204 115.796 115.700 -0.180 0.000 2.489 287 S HA 0.370 4.840 4.470 -0.000 0.000 0.228 287 S C 1.163 175.609 174.600 -0.256 0.000 0.995 287 S CA 1.419 59.521 58.200 -0.164 0.000 0.934 287 S CB -0.263 62.881 63.200 -0.094 0.000 0.771 287 S HN 1.752 nan 8.310 nan 0.000 0.522 288 S N -0.576 114.908 115.700 -0.360 0.000 2.794 288 S HA 0.699 5.169 4.470 -0.000 0.000 0.299 288 S C -1.708 172.510 174.600 -0.637 0.000 1.179 288 S CA -0.986 56.977 58.200 -0.396 0.000 0.838 288 S CB 0.505 63.616 63.200 -0.149 0.000 1.206 288 S HN 0.182 nan 8.310 nan 0.000 0.523 289 Y N 1.437 121.726 120.300 -0.018 0.000 2.787 289 Y HA 0.442 4.992 4.550 -0.000 0.000 0.352 289 Y C -1.931 173.951 175.900 -0.031 0.000 1.027 289 Y CA -1.792 56.298 58.100 -0.016 0.000 1.219 289 Y CB 1.411 39.843 38.460 -0.046 0.000 1.110 289 Y HN 0.556 nan 8.280 nan 0.000 0.614 290 P HA -0.049 nan 4.420 nan 0.000 0.245 290 P C 1.054 178.368 177.300 0.024 0.000 1.212 290 P CA 0.608 63.727 63.100 0.033 0.000 0.774 290 P CB 0.699 32.407 31.700 0.013 0.000 0.999 291 E N 0.912 121.125 120.200 0.022 0.000 2.147 291 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 291 E C 1.745 178.301 176.600 -0.075 0.000 1.005 291 E CA 0.852 57.234 56.400 -0.030 0.000 0.810 291 E CB -1.089 28.561 29.700 -0.083 0.000 0.736 291 E HN 0.139 nan 8.360 nan 0.000 0.460 292 I N 0.758 121.284 120.570 -0.073 0.000 2.454 292 I HA -0.255 3.915 4.170 -0.000 0.000 0.254 292 I C 1.392 177.461 176.117 -0.080 0.000 1.156 292 I CA 1.155 62.403 61.300 -0.086 0.000 1.433 292 I CB -0.335 37.626 38.000 -0.064 0.000 1.082 292 I HN 0.127 nan 8.210 nan 0.000 0.432 293 N N 0.151 118.824 118.700 -0.046 0.000 2.039 293 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 293 N C 1.988 177.372 175.510 -0.209 0.000 1.044 293 N CA 1.917 54.932 53.050 -0.057 0.000 0.847 293 N CB -0.618 37.912 38.487 0.072 0.000 1.030 293 N HN 0.310 nan 8.380 nan 0.000 0.422 294 S N 0.355 116.006 115.700 -0.082 0.000 2.383 294 S HA -0.060 4.410 4.470 -0.000 0.000 0.227 294 S C 2.057 176.537 174.600 -0.201 0.000 1.026 294 S CA 1.238 59.350 58.200 -0.147 0.000 0.981 294 S CB -0.373 62.891 63.200 0.107 0.000 0.818 294 S HN 0.425 nan 8.310 nan 0.000 0.472 295 T N 1.832 116.324 114.554 -0.104 0.000 2.708 295 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 295 T C 1.829 176.461 174.700 -0.113 0.000 1.037 295 T CA 1.354 63.417 62.100 -0.063 0.000 1.146 295 T CB -0.202 68.633 68.868 -0.053 0.000 0.865 295 T HN 0.381 nan 8.240 nan 0.000 0.435 296 K N 0.964 121.272 120.400 -0.153 0.000 2.148 296 K HA 0.043 4.363 4.320 -0.000 0.000 0.204 296 K C 2.497 178.973 176.600 -0.207 0.000 1.050 296 K CA 0.950 57.149 56.287 -0.146 0.000 0.942 296 K CB -0.290 32.135 32.500 -0.125 0.000 0.724 296 K HN 0.273 nan 8.250 nan 0.000 0.446 297 A N 0.825 123.416 122.820 -0.382 0.000 1.908 297 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 297 A C 2.402 179.842 177.584 -0.239 0.000 1.181 297 A CA 1.796 53.548 52.037 -0.475 0.000 0.627 297 A CB -1.097 17.205 19.000 -1.164 0.000 0.818 297 A HN 0.549 nan 8.150 nan 0.000 0.445 298 c N -1.143 117.347 118.600 -0.184 0.000 2.453 298 c HA -0.034 4.536 4.570 -0.000 0.000 0.277 298 c C 2.742 176.800 174.090 -0.053 0.000 1.262 298 c CA 1.534 57.817 56.329 -0.077 0.000 1.718 298 c CB -0.739 41.748 42.510 -0.039 0.000 2.031 298 c HN 0.718 nan 8.230 nan 0.000 0.480 299 K N 1.049 121.414 120.400 -0.058 0.000 2.032 299 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 299 K C 1.838 178.416 176.600 -0.036 0.000 1.048 299 K CA 2.306 58.571 56.287 -0.037 0.000 0.927 299 K CB -0.914 31.565 32.500 -0.035 0.000 0.712 299 K HN 0.442 nan 8.250 nan 0.000 0.441 300 T N 0.316 114.838 114.554 -0.054 0.000 2.759 300 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 300 T C 1.700 176.383 174.700 -0.027 0.000 1.042 300 T CA 1.387 63.462 62.100 -0.042 0.000 1.140 300 T CB -0.452 68.382 68.868 -0.056 0.000 0.864 300 T HN 0.395 nan 8.240 nan 0.000 0.455 301 A N 0.336 123.138 122.820 -0.030 0.000 2.209 301 A HA 0.442 4.762 4.320 -0.000 0.000 0.212 301 A C 1.937 179.518 177.584 -0.005 0.000 1.158 301 A CA 1.052 53.082 52.037 -0.012 0.000 0.742 301 A CB -0.755 18.241 19.000 -0.007 0.000 0.790 301 A HN 0.807 nan 8.150 nan 0.000 0.472 302 G N -2.292 106.503 108.800 -0.008 0.000 2.134 302 G HA2 0.156 4.116 3.960 -0.000 0.000 0.209 302 G HA3 0.156 4.116 3.960 -0.000 0.000 0.209 302 G C 0.366 175.267 174.900 0.002 0.000 0.993 302 G CA 0.161 45.260 45.100 -0.002 0.000 0.669 302 G HN 1.560 nan 8.290 nan 0.000 0.519 303 A N -0.193 122.627 122.820 0.000 0.000 2.531 303 A HA 0.583 4.903 4.320 -0.000 0.000 0.236 303 A C 1.315 178.904 177.584 0.008 0.000 1.062 303 A CA 1.321 53.361 52.037 0.005 0.000 0.760 303 A CB 0.289 19.292 19.000 0.005 0.000 0.995 303 A HN 0.445 nan 8.150 nan 0.000 0.501 304 K N 1.272 121.679 120.400 0.012 0.000 2.211 304 K HA 0.154 4.474 4.320 -0.000 0.000 0.201 304 K C 0.898 177.508 176.600 0.017 0.000 1.052 304 K CA 0.966 57.261 56.287 0.014 0.000 0.973 304 K CB 0.298 32.807 32.500 0.015 0.000 0.766 304 K HN 0.805 nan 8.250 nan 0.000 0.466 305 G N 0.608 109.418 108.800 0.017 0.000 2.659 305 G HA2 0.647 4.607 3.960 -0.000 0.000 0.296 305 G HA3 0.647 4.607 3.960 -0.000 0.000 0.296 305 G C -1.378 173.532 174.900 0.017 0.000 1.369 305 G CA -0.664 44.447 45.100 0.018 0.000 0.937 305 G HN -0.026 nan 8.290 nan 0.000 0.485 306 I N 0.563 121.143 120.570 0.017 0.000 2.582 306 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 306 I C -0.850 175.264 176.117 -0.005 0.000 1.066 306 I CA -0.746 60.566 61.300 0.019 0.000 1.053 306 I CB 2.579 40.604 38.000 0.042 0.000 1.241 306 I HN 0.204 nan 8.210 nan 0.000 0.421 307 I N 6.240 126.812 120.570 0.004 0.000 2.439 307 I HA 0.343 4.513 4.170 -0.000 0.000 0.283 307 I C -0.713 175.432 176.117 0.047 0.000 1.023 307 I CA -0.757 60.532 61.300 -0.018 0.000 1.100 307 I CB 1.893 39.874 38.000 -0.032 0.000 1.238 307 I HN 0.158 nan 8.210 nan 0.000 0.445 308 V N 6.994 126.918 119.914 0.017 0.000 2.407 308 V HA 0.332 4.452 4.120 -0.000 0.000 0.278 308 V C -0.589 175.551 176.094 0.077 0.000 1.037 308 V CA -0.556 61.778 62.300 0.058 0.000 0.900 308 V CB 1.025 32.900 31.823 0.087 0.000 0.983 308 V HN 0.559 nan 8.190 nan 0.000 0.459 309 Y N 1.892 122.170 120.300 -0.036 0.000 2.446 309 Y HA 0.759 5.309 4.550 -0.000 0.000 0.338 309 Y C 0.359 176.237 175.900 -0.037 0.000 1.055 309 Y CA -1.355 56.710 58.100 -0.058 0.000 1.101 309 Y CB 0.878 39.296 38.460 -0.070 0.000 1.221 309 Y HN 0.465 nan 8.280 nan 0.000 0.460 310 S N 2.834 118.561 115.700 0.045 0.000 2.563 310 S HA 0.042 4.512 4.470 -0.000 0.000 0.284 310 S C -0.063 174.499 174.600 -0.063 0.000 1.331 310 S CA -0.354 57.827 58.200 -0.033 0.000 1.047 310 S CB -0.385 62.804 63.200 -0.017 0.000 0.859 310 S HN 0.833 nan 8.310 nan 0.000 0.514 311 N N 0.487 119.130 118.700 -0.096 0.000 2.448 311 N HA 0.263 5.003 4.740 -0.000 0.000 0.274 311 N C 1.012 176.499 175.510 -0.039 0.000 1.239 311 N CA -0.329 52.667 53.050 -0.089 0.000 0.982 311 N CB 0.093 38.519 38.487 -0.102 0.000 1.199 311 N HN 0.417 nan 8.380 nan 0.000 0.576 312 S N -1.899 113.783 115.700 -0.030 0.000 2.447 312 S HA -0.111 4.359 4.470 -0.000 0.000 0.233 312 S C 1.766 176.349 174.600 -0.029 0.000 1.006 312 S CA 0.503 58.691 58.200 -0.020 0.000 0.957 312 S CB -0.966 62.224 63.200 -0.017 0.000 0.773 312 S HN 0.725 nan 8.310 nan 0.000 0.507 313 A N 1.432 124.229 122.820 -0.037 0.000 1.902 313 A HA 0.322 4.642 4.320 -0.000 0.000 0.217 313 A C 1.342 178.902 177.584 -0.039 0.000 1.181 313 A CA 0.857 52.871 52.037 -0.038 0.000 0.623 313 A CB -0.345 18.630 19.000 -0.043 0.000 0.818 313 A HN 0.567 nan 8.150 nan 0.000 0.443 314 L N 0.019 121.216 121.223 -0.043 0.000 2.480 314 L HA 0.242 4.582 4.340 -0.000 0.000 0.253 314 L C -1.973 174.865 176.870 -0.052 0.000 1.324 314 L CA -1.225 53.586 54.840 -0.049 0.000 0.916 314 L CB 2.139 44.167 42.059 -0.051 0.000 1.160 314 L HN 0.157 nan 8.230 nan 0.000 0.503 315 P HA -0.077 nan 4.420 nan 0.000 0.230 315 P C 0.900 178.156 177.300 -0.073 0.000 1.158 315 P CA 0.462 63.538 63.100 -0.040 0.000 0.769 315 P CB 0.367 32.052 31.700 -0.025 0.000 0.807 316 G N 0.806 109.539 108.800 -0.112 0.000 2.684 316 G HA2 0.236 4.196 3.960 -0.000 0.000 0.255 316 G HA3 0.236 4.196 3.960 -0.000 0.000 0.255 316 G C -0.623 174.155 174.900 -0.203 0.000 1.219 316 G CA -0.498 44.481 45.100 -0.202 0.000 0.901 316 G HN 0.193 nan 8.290 nan 0.000 0.548 317 L N 0.397 121.436 121.223 -0.307 0.000 2.418 317 L HA 0.256 4.596 4.340 -0.000 0.000 0.274 317 L C -0.033 176.749 176.870 -0.147 0.000 1.135 317 L CA 0.009 54.710 54.840 -0.231 0.000 0.870 317 L CB 0.682 42.573 42.059 -0.281 0.000 1.154 317 L HN 0.343 nan 8.230 nan 0.000 0.462 318 Q N 4.660 124.399 119.800 -0.102 0.000 2.306 318 Q HA 0.302 4.642 4.340 -0.000 0.000 0.265 318 Q C -0.632 175.334 176.000 -0.056 0.000 1.022 318 Q CA -0.196 55.578 55.803 -0.050 0.000 0.853 318 Q CB 1.603 30.325 28.738 -0.028 0.000 1.327 318 Q HN 0.725 nan 8.270 nan 0.000 0.449 319 N N 2.135 120.819 118.700 -0.028 0.000 2.813 319 N HA 0.221 4.961 4.740 -0.000 0.000 0.282 319 N C -2.444 173.005 175.510 -0.102 0.000 1.748 319 N CA -1.319 51.694 53.050 -0.062 0.000 0.860 319 N CB 1.093 39.561 38.487 -0.033 0.000 1.204 319 N HN 0.280 nan 8.380 nan 0.000 0.490 320 P HA 0.212 nan 4.420 nan 0.000 0.278 320 P C -0.729 176.490 177.300 -0.135 0.000 1.266 320 P CA -0.281 62.790 63.100 -0.048 0.000 0.807 320 P CB 0.960 32.699 31.700 0.065 0.000 1.094 321 F N 0.468 120.427 119.950 0.016 0.000 2.438 321 F HA 0.162 4.689 4.527 -0.000 0.000 0.356 321 F C 1.078 176.785 175.800 -0.155 0.000 1.099 321 F CA -0.435 57.494 58.000 -0.120 0.000 1.185 321 F CB 0.508 39.321 39.000 -0.312 0.000 1.115 321 F HN 0.071 nan 8.300 nan 0.000 0.526 322 L N 6.444 127.642 121.223 -0.041 0.000 2.358 322 L HA 0.361 4.701 4.340 -0.000 0.000 0.274 322 L C -0.658 176.120 176.870 -0.153 0.000 1.136 322 L CA -0.287 54.446 54.840 -0.178 0.000 0.970 322 L CB -0.023 41.832 42.059 -0.341 0.000 1.314 322 L HN 0.305 nan 8.230 nan 0.000 0.427 323 V N 4.059 123.860 119.914 -0.188 0.000 2.397 323 V HA 0.137 4.257 4.120 -0.000 0.000 0.262 323 V C 0.170 176.150 176.094 -0.190 0.000 1.047 323 V CA -0.180 61.914 62.300 -0.344 0.000 1.003 323 V CB 0.560 32.108 31.823 -0.458 0.000 1.037 323 V HN 0.607 nan 8.190 nan 0.000 0.480 324 D N 4.376 124.710 120.400 -0.109 0.000 2.485 324 D HA 0.499 5.139 4.640 -0.000 0.000 0.256 324 D C 0.999 177.366 176.300 0.113 0.000 1.141 324 D CA 0.058 54.056 54.000 -0.004 0.000 0.942 324 D CB 1.416 42.214 40.800 -0.003 0.000 1.003 324 D HN 0.501 nan 8.370 nan 0.000 0.507 325 A N 3.518 126.422 122.820 0.140 0.000 1.917 325 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 325 A C 1.651 179.296 177.584 0.102 0.000 1.182 325 A CA 1.238 53.400 52.037 0.208 0.000 0.633 325 A CB -0.097 19.000 19.000 0.161 0.000 0.819 325 A HN 0.506 nan 8.150 nan 0.000 0.448 326 N N -0.283 118.452 118.700 0.058 0.000 2.270 326 N HA 0.094 4.834 4.740 -0.000 0.000 0.198 326 N C -0.214 175.311 175.510 0.024 0.000 1.117 326 N CA 0.742 53.810 53.050 0.030 0.000 0.845 326 N CB 0.331 38.827 38.487 0.016 0.000 0.980 326 N HN 0.277 nan 8.380 nan 0.000 0.486 327 S N 0.995 116.716 115.700 0.036 0.000 3.631 327 S HA -0.122 4.348 4.470 -0.000 0.000 0.366 327 S C 0.383 174.991 174.600 0.013 0.000 0.993 327 S CA 0.531 58.748 58.200 0.027 0.000 1.167 327 S CB -0.858 62.356 63.200 0.024 0.000 0.909 327 S HN 0.398 nan 8.310 nan 0.000 0.478 328 D N 0.535 120.939 120.400 0.006 0.000 2.213 328 D HA 0.062 4.702 4.640 -0.000 0.000 0.205 328 D C 0.896 177.193 176.300 -0.004 0.000 0.961 328 D CA 0.443 54.441 54.000 -0.003 0.000 0.853 328 D CB 0.058 40.850 40.800 -0.013 0.000 0.967 328 D HN 0.469 nan 8.370 nan 0.000 0.496 329 I N 2.577 123.145 120.570 -0.004 0.000 2.278 329 I HA 0.026 4.196 4.170 -0.000 0.000 0.300 329 I C 1.156 177.282 176.117 0.015 0.000 1.174 329 I CA 0.388 61.690 61.300 0.003 0.000 1.347 329 I CB -0.769 37.230 38.000 -0.003 0.000 1.473 329 I HN -0.124 nan 8.210 nan 0.000 0.595 330 T N 1.010 115.573 114.554 0.015 0.000 3.105 330 T HA 0.267 4.617 4.350 -0.000 0.000 0.253 330 T C 0.468 175.182 174.700 0.023 0.000 1.047 330 T CA -0.303 61.808 62.100 0.019 0.000 0.944 330 T CB -0.287 68.589 68.868 0.014 0.000 1.016 330 T HN 0.293 nan 8.240 nan 0.000 0.544 331 V N -1.901 118.028 119.914 0.026 0.000 3.019 331 V HA 0.777 4.897 4.120 -0.000 0.000 0.317 331 V C -2.980 173.138 176.094 0.040 0.000 1.094 331 V CA -3.184 59.134 62.300 0.029 0.000 1.000 331 V CB 1.756 33.593 31.823 0.023 0.000 1.060 331 V HN -0.076 nan 8.190 nan 0.000 0.443 332 P HA 0.263 nan 4.420 nan 0.000 0.271 332 P C -0.479 176.846 177.300 0.041 0.000 1.226 332 P CA 0.374 63.500 63.100 0.042 0.000 0.765 332 P CB 1.019 32.740 31.700 0.035 0.000 0.835 333 S N 2.278 118.013 115.700 0.058 0.000 2.536 333 S HA 0.752 5.222 4.470 -0.000 0.000 0.287 333 S C -0.180 174.321 174.600 -0.166 0.000 1.101 333 S CA -0.732 57.494 58.200 0.043 0.000 0.950 333 S CB 1.621 64.981 63.200 0.266 0.000 1.056 333 S HN 0.439 nan 8.310 nan 0.000 0.481 334 V N -1.153 118.553 119.914 -0.347 0.000 3.141 334 V HA 0.968 5.088 4.120 -0.000 0.000 0.312 334 V C -0.394 175.343 176.094 -0.594 0.000 1.157 334 V CA -0.728 61.283 62.300 -0.481 0.000 1.041 334 V CB 1.425 33.116 31.823 -0.221 0.000 1.071 334 V HN 1.081 nan 8.190 nan 0.000 0.441 335 S N 0.602 116.029 115.700 -0.456 0.000 2.532 335 S HA 0.871 5.341 4.470 -0.000 0.000 0.299 335 S C -0.758 173.721 174.600 -0.203 0.000 1.105 335 S CA 0.035 58.068 58.200 -0.278 0.000 1.018 335 S CB 1.203 64.283 63.200 -0.200 0.000 1.021 335 S HN 2.210 nan 8.310 nan 0.000 0.483 336 V N 1.666 121.507 119.914 -0.123 0.000 3.102 336 V HA 0.763 4.883 4.120 -0.000 0.000 0.312 336 V C -0.565 175.493 176.094 -0.061 0.000 1.135 336 V CA -1.174 61.058 62.300 -0.114 0.000 1.022 336 V CB 1.641 33.393 31.823 -0.118 0.000 1.056 336 V HN 0.889 nan 8.190 nan 0.000 0.436 337 D N 1.234 121.585 120.400 -0.080 0.000 2.384 337 D HA 0.186 4.826 4.640 -0.000 0.000 0.244 337 D C 1.082 177.387 176.300 0.009 0.000 1.251 337 D CA -0.190 53.774 54.000 -0.061 0.000 0.961 337 D CB 0.770 41.503 40.800 -0.112 0.000 1.116 337 D HN 0.708 nan 8.370 nan 0.000 0.484 338 R N -0.016 120.504 120.500 0.033 0.000 2.081 338 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 338 R C 2.078 178.390 176.300 0.020 0.000 1.131 338 R CA 1.587 57.751 56.100 0.106 0.000 0.960 338 R CB -0.630 29.720 30.300 0.083 0.000 0.856 338 R HN 0.589 nan 8.270 nan 0.000 0.436 339 A N -0.128 122.684 122.820 -0.013 0.000 1.908 339 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 339 A C 2.174 179.719 177.584 -0.065 0.000 1.181 339 A CA 2.165 54.185 52.037 -0.029 0.000 0.627 339 A CB -0.965 18.029 19.000 -0.010 0.000 0.818 339 A HN 0.465 nan 8.150 nan 0.000 0.445 340 T N -0.401 114.108 114.554 -0.075 0.000 2.777 340 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 340 T C 1.954 176.506 174.700 -0.247 0.000 1.040 340 T CA 1.363 63.387 62.100 -0.127 0.000 1.141 340 T CB -0.584 68.211 68.868 -0.121 0.000 0.868 340 T HN 0.596 nan 8.240 nan 0.000 0.444 341 G N 1.286 109.921 108.800 -0.275 0.000 2.422 341 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.218 341 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.218 341 G C 1.463 175.917 174.900 -0.743 0.000 1.146 341 G CA 0.382 45.099 45.100 -0.638 0.000 0.769 341 G HN 0.439 nan 8.290 nan 0.000 0.547 342 L N 0.444 121.401 121.223 -0.443 0.000 2.156 342 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 342 L C 3.333 180.087 176.870 -0.195 0.000 1.095 342 L CA 0.785 55.453 54.840 -0.287 0.000 0.770 342 L CB -0.339 41.640 42.059 -0.132 0.000 0.914 342 L HN 0.303 nan 8.230 nan 0.000 0.439 343 A N 0.234 122.959 122.820 -0.159 0.000 1.930 343 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 343 A C 2.211 179.737 177.584 -0.096 0.000 1.175 343 A CA 1.124 53.114 52.037 -0.079 0.000 0.627 343 A CB -0.565 18.428 19.000 -0.012 0.000 0.815 343 A HN 0.356 nan 8.150 nan 0.000 0.443 344 L N -0.752 120.346 121.223 -0.207 0.000 2.275 344 L HA -0.160 4.180 4.340 -0.000 0.000 0.215 344 L C 2.378 179.162 176.870 -0.143 0.000 1.119 344 L CA 1.120 55.836 54.840 -0.207 0.000 0.790 344 L CB -0.343 41.523 42.059 -0.322 0.000 0.919 344 L HN 0.370 nan 8.230 nan 0.000 0.443 345 K N 0.242 120.542 120.400 -0.166 0.000 2.103 345 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 345 K C 2.110 178.677 176.600 -0.055 0.000 1.048 345 K CA 1.375 57.594 56.287 -0.112 0.000 0.930 345 K CB -0.203 32.227 32.500 -0.116 0.000 0.716 345 K HN 0.298 nan 8.250 nan 0.000 0.444 346 A N 1.032 123.827 122.820 -0.042 0.000 2.168 346 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 346 A C 1.334 178.919 177.584 0.002 0.000 1.152 346 A CA 1.111 53.140 52.037 -0.013 0.000 0.716 346 A CB 0.077 19.075 19.000 -0.003 0.000 0.794 346 A HN 0.036 nan 8.150 nan 0.000 0.465 347 K N -0.098 120.304 120.400 0.003 0.000 2.372 347 K HA 0.310 4.630 4.320 -0.000 0.000 0.200 347 K C -0.046 176.561 176.600 0.012 0.000 1.022 347 K CA -0.184 56.117 56.287 0.023 0.000 1.125 347 K CB -0.160 32.376 32.500 0.060 0.000 0.855 347 K HN 0.442 nan 8.250 nan 0.000 0.524 348 L N 0.706 121.927 121.223 -0.003 0.000 2.559 348 L HA -0.051 4.289 4.340 -0.000 0.000 0.282 348 L C 1.441 178.316 176.870 0.008 0.000 1.232 348 L CA 1.095 55.935 54.840 -0.000 0.000 0.885 348 L CB -0.053 42.005 42.059 -0.003 0.000 1.131 348 L HN 0.574 nan 8.230 nan 0.000 0.498 349 G N 1.854 110.661 108.800 0.011 0.000 2.234 349 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.235 349 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.235 349 G C 0.266 175.176 174.900 0.016 0.000 0.997 349 G CA -0.312 44.796 45.100 0.013 0.000 0.623 349 G HN 0.587 nan 8.290 nan 0.000 0.514 350 Q N 0.737 120.549 119.800 0.020 0.000 2.259 350 Q HA 0.549 4.889 4.340 -0.000 0.000 0.246 350 Q C 0.430 176.447 176.000 0.028 0.000 0.920 350 Q CA 0.125 55.943 55.803 0.025 0.000 0.895 350 Q CB 1.451 30.208 28.738 0.032 0.000 1.220 350 Q HN 0.238 nan 8.270 nan 0.000 0.439 351 S N 1.273 116.989 115.700 0.027 0.000 2.515 351 S HA 0.085 4.555 4.470 -0.000 0.000 0.285 351 S C -0.683 173.940 174.600 0.039 0.000 1.265 351 S CA 0.008 58.225 58.200 0.028 0.000 1.079 351 S CB 0.008 63.222 63.200 0.024 0.000 0.877 351 S HN 0.492 nan 8.310 nan 0.000 0.493 352 T N 4.580 119.158 114.554 0.039 0.000 2.876 352 T HA 0.482 4.832 4.350 -0.000 0.000 0.289 352 T C -0.782 173.945 174.700 0.046 0.000 1.014 352 T CA -0.619 61.512 62.100 0.052 0.000 0.986 352 T CB 1.796 70.693 68.868 0.047 0.000 1.021 352 T HN 0.525 nan 8.240 nan 0.000 0.458 353 T N 2.426 117.015 114.554 0.057 0.000 2.786 353 T HA 0.553 4.903 4.350 -0.000 0.000 0.283 353 T C -0.345 174.390 174.700 0.058 0.000 0.992 353 T CA -0.497 61.633 62.100 0.050 0.000 0.954 353 T CB 0.963 69.860 68.868 0.048 0.000 0.934 353 T HN 0.347 nan 8.240 nan 0.000 0.440 354 V N 3.841 123.781 119.914 0.044 0.000 2.435 354 V HA 0.802 4.922 4.120 -0.000 0.000 0.290 354 V C -0.021 176.099 176.094 0.043 0.000 1.030 354 V CA -0.693 61.631 62.300 0.040 0.000 0.881 354 V CB 1.681 33.515 31.823 0.019 0.000 0.983 354 V HN 1.058 nan 8.190 nan 0.000 0.445 355 S N 3.437 119.169 115.700 0.054 0.000 2.536 355 S HA 0.640 5.110 4.470 -0.000 0.000 0.271 355 S C -1.247 173.393 174.600 0.068 0.000 1.134 355 S CA -0.985 57.250 58.200 0.058 0.000 0.897 355 S CB 1.986 65.225 63.200 0.065 0.000 1.094 355 S HN 0.540 nan 8.310 nan 0.000 0.473 356 N N 1.767 120.505 118.700 0.064 0.000 2.342 356 N HA 0.462 5.202 4.740 -0.000 0.000 0.293 356 N C -1.263 174.295 175.510 0.080 0.000 1.026 356 N CA -0.404 52.690 53.050 0.075 0.000 0.857 356 N CB 1.872 40.397 38.487 0.063 0.000 1.256 356 N HN 0.712 nan 8.380 nan 0.000 0.484 357 Q N 0.301 120.160 119.800 0.099 0.000 2.337 357 Q HA 0.638 4.978 4.340 -0.000 0.000 0.270 357 Q C 0.154 176.212 176.000 0.096 0.000 1.043 357 Q CA -0.989 54.868 55.803 0.090 0.000 0.794 357 Q CB 2.426 31.219 28.738 0.092 0.000 1.281 357 Q HN 0.642 nan 8.270 nan 0.000 0.446 358 G N 0.706 109.552 108.800 0.077 0.000 2.568 358 G HA2 0.260 4.220 3.960 -0.000 0.000 0.293 358 G HA3 0.260 4.220 3.960 -0.000 0.000 0.293 358 G C 0.120 175.058 174.900 0.065 0.000 1.347 358 G CA -0.512 44.633 45.100 0.075 0.000 1.039 358 G HN 0.840 nan 8.290 nan 0.000 0.523 359 N N -1.616 117.117 118.700 0.056 0.000 2.725 359 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 359 N C 0.383 175.916 175.510 0.037 0.000 1.103 359 N CA 0.800 53.872 53.050 0.038 0.000 0.707 359 N CB -0.539 37.964 38.487 0.026 0.000 1.043 359 N HN 0.465 nan 8.380 nan 0.000 0.553 360 Q N -0.352 119.485 119.800 0.062 0.000 2.185 360 Q HA 0.274 4.614 4.340 -0.000 0.000 0.225 360 Q C 0.239 176.250 176.000 0.017 0.000 0.983 360 Q CA -0.134 55.715 55.803 0.077 0.000 0.950 360 Q CB 0.438 29.269 28.738 0.155 0.000 1.176 360 Q HN 0.250 nan 8.270 nan 0.000 0.510 361 D N -0.320 120.062 120.400 -0.030 0.000 2.402 361 D HA 0.177 4.817 4.640 -0.000 0.000 0.216 361 D C -0.500 175.454 176.300 -0.578 0.000 1.128 361 D CA 0.392 54.214 54.000 -0.296 0.000 0.833 361 D CB 0.410 40.893 40.800 -0.529 0.000 0.971 361 D HN 0.274 nan 8.370 nan 0.000 0.503 362 Y N 0.122 120.472 120.300 0.083 0.000 2.615 362 Y HA 0.501 5.051 4.550 -0.000 0.000 0.341 362 Y C -0.090 175.830 175.900 0.033 0.000 1.089 362 Y CA -1.082 57.029 58.100 0.018 0.000 1.049 362 Y CB 2.291 40.760 38.460 0.016 0.000 1.296 362 Y HN -0.328 nan 8.280 nan 0.000 0.470 363 E N 0.040 120.312 120.200 0.120 0.000 2.388 363 E HA 0.344 4.694 4.350 -0.000 0.000 0.281 363 E C -2.192 174.482 176.600 0.124 0.000 1.046 363 E CA -0.750 55.751 56.400 0.168 0.000 0.825 363 E CB 1.528 31.373 29.700 0.243 0.000 1.243 363 E HN 0.585 nan 8.360 nan 0.000 0.438 364 Y N 1.601 122.040 120.300 0.231 0.000 2.316 364 Y HA 0.347 4.897 4.550 -0.000 0.000 0.331 364 Y C -0.464 175.649 175.900 0.356 0.000 1.083 364 Y CA 0.326 58.569 58.100 0.239 0.000 1.206 364 Y CB 0.782 39.326 38.460 0.140 0.000 1.195 364 Y HN 0.305 nan 8.280 nan 0.000 0.497 365 Y N 1.721 122.090 120.300 0.115 0.000 2.570 365 Y HA 0.406 4.956 4.550 -0.000 0.000 0.345 365 Y C -0.429 175.458 175.900 -0.021 0.000 1.014 365 Y CA -1.399 56.623 58.100 -0.129 0.000 1.063 365 Y CB 2.193 40.282 38.460 -0.618 0.000 1.272 365 Y HN 0.538 nan 8.280 nan 0.000 0.477 366 N N 0.132 118.856 118.700 0.040 0.000 2.272 366 N HA 0.751 5.491 4.740 -0.000 0.000 0.305 366 N C -0.982 174.439 175.510 -0.148 0.000 1.103 366 N CA -0.790 52.269 53.050 0.015 0.000 0.791 366 N CB 2.398 40.826 38.487 -0.099 0.000 1.356 366 N HN 0.820 nan 8.380 nan 0.000 0.486 367 G N -0.847 107.947 108.800 -0.011 0.000 2.337 367 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.310 367 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.310 367 G C 0.363 175.432 174.900 0.282 0.000 1.534 367 G CA -0.389 44.673 45.100 -0.063 0.000 0.982 367 G HN 0.499 nan 8.290 nan 0.000 0.672 368 T N -1.746 113.008 114.554 0.333 0.000 3.007 368 T HA 0.012 4.362 4.350 -0.000 0.000 0.270 368 T C 2.240 177.068 174.700 0.213 0.000 1.107 368 T CA 2.127 64.398 62.100 0.284 0.000 1.118 368 T CB 0.003 69.019 68.868 0.247 0.000 0.889 368 T HN 0.497 nan 8.240 nan 0.000 0.506 369 S N 0.739 116.560 115.700 0.202 0.000 2.481 369 S HA 0.152 4.622 4.470 -0.000 0.000 0.231 369 S C 1.641 176.347 174.600 0.176 0.000 0.996 369 S CA 0.660 58.993 58.200 0.222 0.000 0.942 369 S CB -0.338 63.062 63.200 0.333 0.000 0.768 369 S HN 0.349 nan 8.310 nan 0.000 0.520 370 M N 0.491 120.203 119.600 0.186 0.000 2.466 370 M HA 0.322 4.802 4.480 -0.000 0.000 0.265 370 M C 2.110 178.581 176.300 0.284 0.000 1.122 370 M CA 0.569 55.994 55.300 0.208 0.000 1.157 370 M CB -0.666 32.070 32.600 0.227 0.000 1.352 370 M HN 0.254 nan 8.290 nan 0.000 0.464 371 A N -0.682 122.283 122.820 0.242 0.000 1.929 371 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 371 A C 2.223 179.941 177.584 0.223 0.000 1.176 371 A CA 2.039 54.206 52.037 0.216 0.000 0.628 371 A CB -1.189 17.903 19.000 0.154 0.000 0.816 371 A HN 0.428 nan 8.150 nan 0.000 0.444 372 T N 1.031 115.695 114.554 0.184 0.000 2.635 372 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 372 T C -0.226 174.553 174.700 0.132 0.000 1.040 372 T CA 1.931 64.122 62.100 0.151 0.000 1.156 372 T CB -1.178 67.778 68.868 0.147 0.000 0.863 372 T HN 0.510 nan 8.240 nan 0.000 0.430 373 P HA -0.083 nan 4.420 nan 0.000 0.222 373 P C 0.754 178.045 177.300 -0.015 0.000 1.147 373 P CA 1.357 64.471 63.100 0.024 0.000 0.790 373 P CB -0.139 31.537 31.700 -0.040 0.000 0.780 374 H N -0.537 118.542 119.070 0.015 0.000 2.357 374 H HA -0.057 4.499 4.556 -0.000 0.000 0.301 374 H C 2.065 177.413 175.328 0.034 0.000 1.082 374 H CA 1.328 57.376 56.048 0.000 0.000 1.342 374 H CB -0.768 28.976 29.762 -0.030 0.000 1.389 374 H HN -0.125 nan 8.280 nan 0.000 0.511 375 V N 0.303 120.325 119.914 0.179 0.000 2.307 375 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 375 V C 2.430 178.591 176.094 0.112 0.000 1.045 375 V CA 1.927 64.305 62.300 0.130 0.000 1.024 375 V CB -0.557 31.336 31.823 0.118 0.000 0.651 375 V HN 0.602 nan 8.190 nan 0.000 0.449 376 S N 0.709 116.473 115.700 0.106 0.000 2.406 376 S HA -0.050 4.420 4.470 -0.000 0.000 0.228 376 S C 2.071 176.734 174.600 0.105 0.000 1.020 376 S CA 1.201 59.466 58.200 0.108 0.000 0.965 376 S CB -0.711 62.550 63.200 0.103 0.000 0.798 376 S HN 0.524 nan 8.310 nan 0.000 0.488 377 G N 1.549 110.394 108.800 0.075 0.000 2.404 377 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.215 377 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.215 377 G C 1.432 176.387 174.900 0.092 0.000 1.174 377 G CA 0.930 46.066 45.100 0.060 0.000 0.780 377 G HN 0.456 nan 8.290 nan 0.000 0.537 378 V N 1.543 121.518 119.914 0.101 0.000 2.427 378 V HA -0.101 4.019 4.120 -0.000 0.000 0.248 378 V C 3.315 179.492 176.094 0.138 0.000 1.051 378 V CA 1.896 64.265 62.300 0.116 0.000 1.048 378 V CB -0.698 31.190 31.823 0.108 0.000 0.666 378 V HN 0.475 nan 8.190 nan 0.000 0.456 379 A N -0.150 122.753 122.820 0.137 0.000 1.908 379 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 379 A C 2.408 180.150 177.584 0.264 0.000 1.181 379 A CA 2.618 54.750 52.037 0.159 0.000 0.627 379 A CB -0.983 18.099 19.000 0.137 0.000 0.818 379 A HN 0.506 nan 8.150 nan 0.000 0.445 380 T N 0.044 114.747 114.554 0.249 0.000 2.777 380 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 380 T C 1.849 176.692 174.700 0.239 0.000 1.040 380 T CA 1.455 63.713 62.100 0.263 0.000 1.141 380 T CB -0.392 68.569 68.868 0.155 0.000 0.868 380 T HN 0.330 nan 8.240 nan 0.000 0.444 381 L N 1.487 122.829 121.223 0.198 0.000 1.989 381 L HA -0.043 4.297 4.340 -0.000 0.000 0.211 381 L C 2.437 179.506 176.870 0.331 0.000 1.071 381 L CA 1.617 56.584 54.840 0.211 0.000 0.749 381 L CB -0.866 41.302 42.059 0.182 0.000 0.890 381 L HN 0.076 nan 8.230 nan 0.000 0.431 382 V N -1.346 118.751 119.914 0.304 0.000 2.343 382 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 382 V C 2.199 178.557 176.094 0.440 0.000 1.051 382 V CA 1.854 64.346 62.300 0.320 0.000 1.036 382 V CB -0.997 30.937 31.823 0.186 0.000 0.654 382 V HN 0.711 nan 8.190 nan 0.000 0.451 383 W N 1.590 123.000 121.300 0.185 0.000 2.374 383 W HA -0.182 4.478 4.660 -0.000 0.000 0.288 383 W C 2.881 179.486 176.519 0.143 0.000 1.218 383 W CA 1.731 59.174 57.345 0.165 0.000 1.245 383 W CB -0.747 28.782 29.460 0.115 0.000 1.126 383 W HN 0.490 nan 8.180 nan 0.000 0.545 384 S N -1.289 114.588 115.700 0.294 0.000 2.442 384 S HA -0.254 4.216 4.470 -0.000 0.000 0.236 384 S C 1.683 176.280 174.600 -0.006 0.000 1.007 384 S CA 1.209 59.441 58.200 0.052 0.000 0.965 384 S CB -1.145 62.031 63.200 -0.039 0.000 0.773 384 S HN 0.289 nan 8.310 nan 0.000 0.504 385 Y N 1.088 121.396 120.300 0.013 0.000 2.457 385 Y HA 0.177 4.727 4.550 -0.000 0.000 0.292 385 Y C 1.178 176.805 175.900 -0.456 0.000 1.125 385 Y CA 0.717 58.697 58.100 -0.199 0.000 1.254 385 Y CB 0.159 38.498 38.460 -0.202 0.000 1.012 385 Y HN 0.442 nan 8.280 nan 0.000 0.555 386 H N -0.491 118.772 119.070 0.321 0.000 2.514 386 H HA 0.188 4.744 4.556 -0.000 0.000 0.226 386 H C -2.078 173.460 175.328 0.351 0.000 1.421 386 H CA -1.528 54.683 56.048 0.271 0.000 1.394 386 H CB 0.651 30.558 29.762 0.242 0.000 1.701 386 H HN 0.137 nan 8.280 nan 0.000 0.515 387 P HA -0.140 nan 4.420 nan 0.000 0.228 387 P C 1.271 178.692 177.300 0.202 0.000 1.151 387 P CA 0.907 64.067 63.100 0.100 0.000 0.770 387 P CB 0.440 32.091 31.700 -0.081 0.000 0.786 388 E N -0.362 119.980 120.200 0.236 0.000 2.285 388 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 388 E C 0.360 177.100 176.600 0.234 0.000 0.997 388 E CA 0.204 56.717 56.400 0.189 0.000 0.845 388 E CB -1.108 28.678 29.700 0.144 0.000 0.782 388 E HN 0.165 nan 8.360 nan 0.000 0.491 389 c N 2.574 121.370 118.600 0.327 0.000 2.604 389 c HA 0.407 4.977 4.570 -0.000 0.000 0.396 389 c C 1.174 175.450 174.090 0.310 0.000 1.282 389 c CA -0.294 56.176 56.329 0.234 0.000 2.292 389 c CB 0.618 43.211 42.510 0.138 0.000 2.633 389 c HN 0.487 nan 8.230 nan 0.000 0.620 390 S N 1.636 117.407 115.700 0.118 0.000 2.669 390 S HA 0.509 4.979 4.470 -0.000 0.000 0.270 390 S C 0.913 175.418 174.600 -0.157 0.000 1.225 390 S CA -0.009 58.252 58.200 0.101 0.000 0.991 390 S CB 0.951 64.159 63.200 0.014 0.000 0.987 390 S HN 0.970 nan 8.310 nan 0.000 0.552 391 A N 1.652 124.395 122.820 -0.129 0.000 1.908 391 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 391 A C 2.477 179.943 177.584 -0.197 0.000 1.181 391 A CA 2.238 54.072 52.037 -0.339 0.000 0.627 391 A CB -1.810 17.209 19.000 0.032 0.000 0.818 391 A HN 1.371 nan 8.150 nan 0.000 0.445 392 S N -0.503 115.100 115.700 -0.162 0.000 2.382 392 S HA -0.259 4.211 4.470 -0.000 0.000 0.228 392 S C 1.952 176.526 174.600 -0.044 0.000 1.027 392 S CA 1.497 59.673 58.200 -0.039 0.000 0.991 392 S CB -0.551 62.554 63.200 -0.159 0.000 0.823 392 S HN 0.686 nan 8.310 nan 0.000 0.469 393 Q N 0.478 120.217 119.800 -0.101 0.000 2.119 393 Q HA 0.017 4.357 4.340 -0.000 0.000 0.201 393 Q C 2.377 178.308 176.000 -0.116 0.000 0.972 393 Q CA 1.466 57.225 55.803 -0.073 0.000 0.847 393 Q CB -0.362 28.343 28.738 -0.055 0.000 0.903 393 Q HN 0.504 nan 8.270 nan 0.000 0.433 394 V N 0.774 120.521 119.914 -0.278 0.000 2.358 394 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 394 V C 2.299 178.276 176.094 -0.195 0.000 1.047 394 V CA 1.864 63.968 62.300 -0.328 0.000 1.035 394 V CB -0.546 30.833 31.823 -0.740 0.000 0.658 394 V HN 0.311 nan 8.190 nan 0.000 0.452 395 R N 0.394 120.806 120.500 -0.147 0.000 2.083 395 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 395 R C 2.290 178.544 176.300 -0.076 0.000 1.137 395 R CA 1.854 57.919 56.100 -0.058 0.000 0.951 395 R CB -0.482 29.844 30.300 0.043 0.000 0.851 395 R HN 0.479 nan 8.270 nan 0.000 0.434 396 A N 0.582 123.358 122.820 -0.073 0.000 1.933 396 A HA -0.099 4.220 4.320 -0.000 0.000 0.218 396 A C 2.355 179.784 177.584 -0.258 0.000 1.175 396 A CA 1.670 53.638 52.037 -0.115 0.000 0.628 396 A CB -0.764 18.214 19.000 -0.037 0.000 0.814 396 A HN 0.563 nan 8.150 nan 0.000 0.444 397 A N -0.140 122.535 122.820 -0.242 0.000 1.902 397 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 397 A C 2.164 179.497 177.584 -0.419 0.000 1.181 397 A CA 1.508 53.257 52.037 -0.479 0.000 0.623 397 A CB -0.610 18.328 19.000 -0.104 0.000 0.818 397 A HN 0.483 nan 8.150 nan 0.000 0.443 398 L N -0.618 120.472 121.223 -0.221 0.000 2.046 398 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 398 L C 2.341 179.111 176.870 -0.166 0.000 1.077 398 L CA 1.809 56.563 54.840 -0.143 0.000 0.747 398 L CB -0.751 41.272 42.059 -0.060 0.000 0.896 398 L HN 0.502 nan 8.230 nan 0.000 0.432 399 N N -0.031 118.542 118.700 -0.210 0.000 2.142 399 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 399 N C 1.904 177.135 175.510 -0.465 0.000 1.023 399 N CA 0.952 53.819 53.050 -0.305 0.000 0.852 399 N CB -0.157 38.080 38.487 -0.417 0.000 0.998 399 N HN 0.288 nan 8.380 nan 0.000 0.424 400 A N 0.533 123.060 122.820 -0.489 0.000 2.067 400 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 400 A C 2.067 179.439 177.584 -0.353 0.000 1.158 400 A CA 1.685 53.438 52.037 -0.472 0.000 0.661 400 A CB -0.548 18.071 19.000 -0.636 0.000 0.801 400 A HN 0.451 nan 8.150 nan 0.000 0.452 401 T N -3.600 110.758 114.554 -0.328 0.000 3.044 401 T HA 0.602 4.952 4.350 -0.000 0.000 0.260 401 T C 0.653 175.299 174.700 -0.089 0.000 1.019 401 T CA 0.381 62.373 62.100 -0.182 0.000 0.921 401 T CB -0.217 68.549 68.868 -0.170 0.000 1.053 401 T HN 0.552 nan 8.240 nan 0.000 0.533 402 A N 1.796 124.572 122.820 -0.074 0.000 2.445 402 A HA 0.389 4.709 4.320 -0.000 0.000 0.242 402 A C -0.065 177.531 177.584 0.019 0.000 1.075 402 A CA -0.381 51.656 52.037 0.001 0.000 0.777 402 A CB 0.027 19.060 19.000 0.056 0.000 1.013 402 A HN 0.435 nan 8.150 nan 0.000 0.493 403 D N 1.841 122.261 120.400 0.032 0.000 2.336 403 D HA 0.149 4.789 4.640 -0.000 0.000 0.249 403 D C -0.360 175.967 176.300 0.045 0.000 1.213 403 D CA 0.157 54.174 54.000 0.029 0.000 0.870 403 D CB 0.876 41.689 40.800 0.022 0.000 1.076 403 D HN 0.517 nan 8.370 nan 0.000 0.483 404 D N 2.479 122.906 120.400 0.044 0.000 2.531 404 D HA 0.010 4.650 4.640 -0.000 0.000 0.239 404 D C -0.311 176.009 176.300 0.034 0.000 1.144 404 D CA 0.435 54.464 54.000 0.049 0.000 0.869 404 D CB 0.564 41.389 40.800 0.043 0.000 1.160 404 D HN 0.304 nan 8.370 nan 0.000 0.484 405 L N 2.315 123.557 121.223 0.032 0.000 2.286 405 L HA 0.412 4.752 4.340 -0.000 0.000 0.265 405 L C 1.124 177.996 176.870 0.003 0.000 1.012 405 L CA -1.084 53.770 54.840 0.023 0.000 0.818 405 L CB 1.374 43.457 42.059 0.040 0.000 1.337 405 L HN 0.604 nan 8.230 nan 0.000 0.438 406 S N -0.097 115.600 115.700 -0.004 0.000 3.469 406 S HA -0.243 4.227 4.470 -0.000 0.000 0.628 406 S C -0.015 174.569 174.600 -0.027 0.000 2.687 406 S CA 0.758 58.942 58.200 -0.025 0.000 3.829 406 S CB -0.839 62.330 63.200 -0.052 0.000 0.258 406 S HN 0.647 nan 8.310 nan 0.000 1.222 407 V N 2.626 122.515 119.914 -0.042 0.000 2.872 407 V HA 0.482 4.602 4.120 -0.000 0.000 0.307 407 V C 1.021 177.102 176.094 -0.022 0.000 1.072 407 V CA 0.452 62.731 62.300 -0.035 0.000 1.148 407 V CB 0.129 31.924 31.823 -0.046 0.000 0.954 407 V HN 1.609 nan 8.190 nan 0.000 0.490 408 A N 5.342 128.154 122.820 -0.013 0.000 2.540 408 A HA 0.549 4.869 4.320 -0.000 0.000 0.239 408 A C 0.965 178.551 177.584 0.004 0.000 1.061 408 A CA 0.700 52.736 52.037 -0.000 0.000 0.758 408 A CB -0.894 18.107 19.000 0.002 0.000 0.991 408 A HN 2.777 nan 8.150 nan 0.000 0.502 409 G N 0.986 109.799 108.800 0.023 0.000 2.796 409 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.571 409 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.571 409 G C 0.033 174.938 174.900 0.009 0.000 1.370 409 G CA 0.000 45.123 45.100 0.038 0.000 0.856 409 G HN 1.274 nan 8.290 nan 0.000 0.538 410 R N 0.708 121.199 120.500 -0.014 0.000 2.570 410 R HA 0.430 4.770 4.340 -0.000 0.000 0.277 410 R C 0.244 176.462 176.300 -0.138 0.000 1.039 410 R CA 0.950 56.943 56.100 -0.177 0.000 1.065 410 R CB -0.104 29.954 30.300 -0.403 0.000 0.964 410 R HN 0.787 nan 8.270 nan 0.000 0.428 411 D N 0.761 121.072 120.400 -0.147 0.000 2.552 411 D HA 0.129 4.769 4.640 -0.000 0.000 0.239 411 D C -0.231 176.000 176.300 -0.114 0.000 1.139 411 D CA -0.852 53.080 54.000 -0.113 0.000 0.914 411 D CB 1.082 41.820 40.800 -0.103 0.000 1.461 411 D HN 0.465 nan 8.370 nan 0.000 0.462 412 N N -0.706 117.946 118.700 -0.080 0.000 2.381 412 N HA -0.149 4.591 4.740 -0.000 0.000 0.182 412 N C 0.960 176.449 175.510 -0.035 0.000 1.025 412 N CA 0.669 53.701 53.050 -0.030 0.000 0.888 412 N CB 0.099 38.623 38.487 0.062 0.000 0.965 412 N HN 0.375 nan 8.380 nan 0.000 0.438 413 Q N -0.415 119.289 119.800 -0.159 0.000 2.062 413 Q HA -0.009 4.331 4.340 -0.000 0.000 0.196 413 Q C 1.911 177.855 176.000 -0.094 0.000 0.967 413 Q CA 1.331 56.936 55.803 -0.330 0.000 0.832 413 Q CB 0.084 28.377 28.738 -0.742 0.000 0.899 413 Q HN 0.413 nan 8.270 nan 0.000 0.442 414 T N -4.196 110.318 114.554 -0.068 0.000 3.043 414 T HA 0.525 4.875 4.350 -0.000 0.000 0.272 414 T C 1.046 175.737 174.700 -0.015 0.000 0.990 414 T CA 0.148 62.252 62.100 0.007 0.000 0.897 414 T CB 0.396 69.276 68.868 0.020 0.000 1.111 414 T HN 0.367 nan 8.240 nan 0.000 0.529 415 G N 1.867 110.618 108.800 -0.082 0.000 2.583 415 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.292 415 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.292 415 G C 0.247 175.018 174.900 -0.215 0.000 1.203 415 G CA 0.505 45.496 45.100 -0.182 0.000 0.987 415 G HN 0.370 nan 8.290 nan 0.000 0.554 416 Y N 2.621 122.924 120.300 0.005 0.000 2.583 416 Y HA 0.395 4.945 4.550 -0.000 0.000 0.293 416 Y C 2.007 177.907 175.900 0.000 0.000 1.157 416 Y CA 1.918 60.016 58.100 -0.004 0.000 1.315 416 Y CB -0.134 38.317 38.460 -0.016 0.000 1.021 416 Y HN 1.704 nan 8.280 nan 0.000 0.536 417 G N -0.257 108.617 108.800 0.122 0.000 2.318 417 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.367 417 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.367 417 G C -1.051 173.905 174.900 0.094 0.000 1.260 417 G CA -0.732 44.423 45.100 0.092 0.000 1.055 417 G HN -0.045 nan 8.290 nan 0.000 0.484 418 M N 1.106 120.758 119.600 0.088 0.000 2.188 418 M HA 0.597 5.077 4.480 -0.000 0.000 0.354 418 M C 0.655 177.003 176.300 0.081 0.000 1.342 418 M CA -0.654 54.704 55.300 0.097 0.000 1.117 418 M CB 0.440 33.109 32.600 0.115 0.000 1.670 418 M HN 0.706 nan 8.290 nan 0.000 0.466 419 I N 5.366 125.986 120.570 0.083 0.000 2.815 419 I HA -0.004 4.166 4.170 -0.000 0.000 0.291 419 I C -0.323 175.831 176.117 0.062 0.000 1.209 419 I CA 0.468 61.809 61.300 0.067 0.000 1.431 419 I CB 0.145 38.192 38.000 0.078 0.000 1.351 419 I HN 0.717 nan 8.210 nan 0.000 0.585 420 N N 6.049 124.772 118.700 0.038 0.000 2.576 420 N HA 0.330 5.070 4.740 -0.000 0.000 0.269 420 N C 0.232 175.757 175.510 0.026 0.000 1.058 420 N CA 0.015 53.084 53.050 0.032 0.000 0.860 420 N CB 1.782 40.276 38.487 0.013 0.000 1.249 420 N HN 0.770 nan 8.380 nan 0.000 0.525 421 A N 2.918 125.764 122.820 0.043 0.000 1.883 421 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 421 A C 1.889 179.478 177.584 0.009 0.000 1.186 421 A CA 1.799 53.860 52.037 0.040 0.000 0.624 421 A CB -0.506 18.532 19.000 0.063 0.000 0.822 421 A HN 0.443 nan 8.150 nan 0.000 0.444 422 V N -0.134 119.783 119.914 0.005 0.000 2.287 422 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 422 V C 3.060 179.146 176.094 -0.013 0.000 1.053 422 V CA 2.130 64.420 62.300 -0.016 0.000 1.027 422 V CB -1.359 30.462 31.823 -0.003 0.000 0.646 422 V HN 0.629 nan 8.190 nan 0.000 0.447 423 A N -0.137 122.684 122.820 0.001 0.000 1.933 423 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 423 A C 2.414 180.012 177.584 0.023 0.000 1.175 423 A CA 2.011 54.054 52.037 0.010 0.000 0.628 423 A CB -0.760 18.240 19.000 -0.001 0.000 0.814 423 A HN 0.579 nan 8.150 nan 0.000 0.444 424 A N -0.024 122.796 122.820 -0.000 0.000 1.902 424 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 424 A C 2.143 179.768 177.584 0.068 0.000 1.181 424 A CA 1.993 54.032 52.037 0.002 0.000 0.623 424 A CB -0.454 18.538 19.000 -0.014 0.000 0.818 424 A HN 0.576 nan 8.150 nan 0.000 0.443 425 K N -0.202 120.212 120.400 0.023 0.000 2.026 425 K HA -0.086 4.234 4.320 -0.000 0.000 0.208 425 K C 2.141 178.767 176.600 0.045 0.000 1.048 425 K CA 1.310 57.595 56.287 -0.003 0.000 0.929 425 K CB -0.384 31.985 32.500 -0.219 0.000 0.713 425 K HN 0.322 nan 8.250 nan 0.000 0.439 426 A N 0.438 123.275 122.820 0.028 0.000 1.940 426 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 426 A C 2.051 179.673 177.584 0.063 0.000 1.176 426 A CA 1.462 53.522 52.037 0.039 0.000 0.631 426 A CB -0.886 18.132 19.000 0.030 0.000 0.814 426 A HN 0.608 nan 8.150 nan 0.000 0.446 427 Y N 0.411 120.684 120.300 -0.045 0.000 2.114 427 Y HA -0.159 4.391 4.550 -0.000 0.000 0.284 427 Y C 1.974 177.815 175.900 -0.099 0.000 1.143 427 Y CA 2.062 60.125 58.100 -0.062 0.000 1.135 427 Y CB -0.269 38.154 38.460 -0.061 0.000 0.980 427 Y HN 0.211 nan 8.280 nan 0.000 0.499 428 L N -0.170 121.082 121.223 0.047 0.000 2.275 428 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 428 L C 1.741 178.304 176.870 -0.512 0.000 1.119 428 L CA 0.974 55.678 54.840 -0.225 0.000 0.790 428 L CB -0.520 41.461 42.059 -0.130 0.000 0.919 428 L HN 0.205 nan 8.230 nan 0.000 0.443 429 D N -0.034 120.269 120.400 -0.163 0.000 2.178 429 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 429 D C 2.169 178.418 176.300 -0.086 0.000 0.980 429 D CA 0.887 54.887 54.000 0.000 0.000 0.842 429 D CB 0.131 40.990 40.800 0.098 0.000 0.948 429 D HN 0.285 nan 8.370 nan 0.000 0.472 430 E N 0.179 120.287 120.200 -0.152 0.000 2.046 430 E HA -0.006 4.344 4.350 -0.000 0.000 0.190 430 E C 1.079 177.574 176.600 -0.174 0.000 0.982 430 E CA 0.669 56.977 56.400 -0.153 0.000 0.800 430 E CB 0.091 29.668 29.700 -0.205 0.000 0.756 430 E HN 0.313 nan 8.360 nan 0.000 0.449 431 S N -2.302 113.247 115.700 -0.251 0.000 2.656 431 S HA 0.106 4.576 4.470 -0.000 0.000 0.265 431 S C 0.496 174.952 174.600 -0.240 0.000 1.110 431 S CA -0.375 57.699 58.200 -0.210 0.000 0.821 431 S CB 0.359 63.462 63.200 -0.162 0.000 1.099 431 S HN 0.104 nan 8.310 nan 0.000 0.471 432 c N 1.560 120.069 118.600 -0.152 0.000 2.449 432 c HA 0.150 4.720 4.570 -0.000 0.000 0.283 432 c C 2.213 176.261 174.090 -0.070 0.000 1.453 432 c CA 1.158 57.430 56.329 -0.096 0.000 1.779 432 c CB -1.909 40.582 42.510 -0.031 0.000 1.779 432 c HN 0.976 nan 8.230 nan 0.000 0.546 433 T N -2.867 111.610 114.554 -0.128 0.000 3.182 433 T HA 0.505 4.855 4.350 -0.000 0.000 0.277 433 T C 0.762 175.265 174.700 -0.328 0.000 1.013 433 T CA 0.666 62.706 62.100 -0.100 0.000 0.900 433 T CB 0.265 69.095 68.868 -0.064 0.000 1.098 433 T HN 0.865 nan 8.240 nan 0.000 0.543 434 G N 2.637 111.011 108.800 -0.711 0.000 2.660 434 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.215 434 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.215 434 G C -2.811 171.729 174.900 -0.599 0.000 1.345 434 G CA -0.566 43.729 45.100 -1.343 0.000 0.877 434 G HN 0.445 nan 8.290 nan 0.000 0.549 435 P HA 0.000 nan 4.420 nan 0.000 0.216 435 P CA 0.000 62.965 63.100 -0.224 0.000 0.800 435 P CB 0.000 31.612 31.700 -0.146 0.000 0.726