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 2cgl_1_A DATA FIRST_RESID 2 DATA SEQUENCE TFRNCVAVDL GASSGRVXLA RYERECRSLT LREIHRFNNG LHSQNGYVTW DATA SEQUENCE DVDSLESAIR LGLNKVcAAG IAIDSIGIDT WGVDFVLLDQ QGQRVGLPVA DATA SEQUENCE YRDSRTNGLX AQAQQQLGKR DIYQRSGIQF LPFNTLYQLR ALTEQQPELI DATA SEQUENCE PHIAHALLXP DYFSYRLTGK XNWEYTNATT TQLVNINSDD WDESLLAWSG DATA SEQUENCE ANKAWFGRPT HPGNVIGHWI cPQGNEIPVV AVASHDTASA VIASPLNGSR DATA SEQUENCE AAYLSSGTWS LXGFESQTPF TNDTALAANI TNEGGAEGRY RVLKNIXGLW DATA SEQUENCE LLQRVLQERQ INDLPALIAA TQALPACRFI INPNDDRFIN PDEXCSEIQA DATA SEQUENCE ACREXAQPIP ESDAELARCI FDSLALLYAD VLHELAQLRG EDFSQLHIVG DATA SEQUENCE GGCQNTLLNQ LCADACGIRV IAGPVEASTL GNIGIQLXTL DELNNVDDFR DATA SEQUENCE QVVSTTANLT TFTPNPDSEI AHYVALIHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.664 174.700 -0.061 0.000 1.109 2 T CA 0.000 62.026 62.100 -0.123 0.000 1.349 2 T CB 0.000 68.860 68.868 -0.014 0.000 0.612 3 F N 3.357 123.307 119.950 0.000 0.000 2.602 3 F HA 0.655 5.182 4.527 -0.000 0.000 0.367 3 F C 0.251 176.079 175.800 0.046 0.000 1.126 3 F CA -0.881 57.121 58.000 0.004 0.000 1.321 3 F CB 0.394 39.391 39.000 -0.005 0.000 1.094 3 F HN -0.249 nan 8.300 nan 0.000 0.594 4 R N 2.619 123.230 120.500 0.186 0.000 2.532 4 R HA 0.352 4.692 4.340 -0.000 0.000 0.295 4 R C -0.976 175.451 176.300 0.212 0.000 0.968 4 R CA -0.901 55.267 56.100 0.114 0.000 0.916 4 R CB 1.246 31.628 30.300 0.137 0.000 1.124 4 R HN 0.734 nan 8.270 nan 0.000 0.463 5 N N 1.925 120.712 118.700 0.145 0.000 2.476 5 N HA 0.238 4.978 4.740 -0.000 0.000 0.257 5 N C -0.824 174.749 175.510 0.106 0.000 0.970 5 N CA -0.208 52.942 53.050 0.166 0.000 0.938 5 N CB 1.526 40.119 38.487 0.177 0.000 1.144 5 N HN 0.365 nan 8.380 nan 0.000 0.500 6 C N 1.808 121.166 119.300 0.096 0.000 2.379 6 C HA 0.496 4.956 4.460 -0.000 0.000 0.323 6 C C 0.550 175.564 174.990 0.039 0.000 1.262 6 C CA -0.712 58.337 59.018 0.052 0.000 1.581 6 C CB 1.288 29.047 27.740 0.030 0.000 2.221 6 C HN 0.381 nan 8.230 nan 0.000 0.497 7 V N 3.303 123.226 119.914 0.016 0.000 2.370 7 V HA 0.688 4.808 4.120 -0.000 0.000 0.283 7 V C 0.414 176.493 176.094 -0.025 0.000 1.023 7 V CA -0.092 62.208 62.300 0.000 0.000 0.857 7 V CB 1.350 33.162 31.823 -0.018 0.000 0.985 7 V HN 1.040 nan 8.190 nan 0.000 0.443 8 A N 5.029 127.838 122.820 -0.018 0.000 2.304 8 A HA 0.817 5.137 4.320 -0.000 0.000 0.323 8 A C -0.670 176.896 177.584 -0.031 0.000 1.195 8 A CA -0.518 51.500 52.037 -0.032 0.000 0.826 8 A CB 1.379 20.365 19.000 -0.024 0.000 1.184 8 A HN 0.641 nan 8.150 nan 0.000 0.496 9 V N 2.889 122.776 119.914 -0.046 0.000 2.347 9 V HA 0.373 4.493 4.120 -0.000 0.000 0.280 9 V C -0.758 175.312 176.094 -0.040 0.000 1.021 9 V CA -0.331 61.946 62.300 -0.039 0.000 0.847 9 V CB 1.312 33.091 31.823 -0.073 0.000 0.990 9 V HN 0.924 nan 8.190 nan 0.000 0.444 10 D N 5.232 125.609 120.400 -0.038 0.000 2.462 10 D HA 0.442 5.082 4.640 -0.000 0.000 0.245 10 D C -0.795 175.485 176.300 -0.035 0.000 1.122 10 D CA -0.260 53.721 54.000 -0.033 0.000 0.864 10 D CB 1.078 41.858 40.800 -0.033 0.000 1.098 10 D HN 0.397 nan 8.370 nan 0.000 0.541 11 L N 3.347 124.582 121.223 0.020 0.000 2.287 11 L HA 0.754 5.093 4.340 -0.000 0.000 0.287 11 L C 0.985 178.027 176.870 0.285 0.000 1.022 11 L CA -0.876 54.032 54.840 0.113 0.000 0.814 11 L CB 1.797 43.947 42.059 0.152 0.000 1.217 11 L HN 0.407 nan 8.230 nan 0.000 0.420 12 G N 0.928 109.847 108.800 0.199 0.000 2.597 12 G HA2 0.532 4.492 3.960 -0.000 0.000 0.317 12 G HA3 0.532 4.492 3.960 -0.000 0.000 0.317 12 G C 0.596 175.508 174.900 0.019 0.000 1.230 12 G CA 0.015 45.242 45.100 0.212 0.000 0.996 12 G HN 0.671 nan 8.290 nan 0.000 0.490 13 A N -0.538 122.252 122.820 -0.049 0.000 2.067 13 A HA 0.093 4.413 4.320 -0.000 0.000 0.219 13 A C 2.226 179.813 177.584 0.006 0.000 1.158 13 A CA 2.421 54.337 52.037 -0.202 0.000 0.661 13 A CB -0.288 18.744 19.000 0.054 0.000 0.801 13 A HN 1.290 nan 8.150 nan 0.000 0.452 14 S N -3.251 112.475 115.700 0.043 0.000 2.578 14 S HA 0.454 4.924 4.470 -0.000 0.000 0.228 14 S C 0.330 174.936 174.600 0.010 0.000 1.022 14 S CA 0.431 58.664 58.200 0.056 0.000 0.967 14 S CB 0.131 63.378 63.200 0.078 0.000 0.914 14 S HN 0.308 nan 8.310 nan 0.000 0.515 15 S N -0.803 114.877 115.700 -0.034 0.000 2.547 15 S HA 0.712 5.181 4.470 -0.000 0.000 0.270 15 S C -0.727 173.719 174.600 -0.255 0.000 1.150 15 S CA -0.301 57.817 58.200 -0.136 0.000 0.850 15 S CB 1.425 64.546 63.200 -0.132 0.000 1.118 15 S HN 0.688 nan 8.310 nan 0.000 0.461 16 G N 2.050 110.455 108.800 -0.658 0.000 2.481 16 G HA2 0.783 4.743 3.960 -0.000 0.000 0.315 16 G HA3 0.783 4.743 3.960 -0.000 0.000 0.315 16 G C -1.300 172.798 174.900 -1.337 0.000 1.231 16 G CA -0.809 43.636 45.100 -1.091 0.000 0.968 16 G HN 0.776 nan 8.290 nan 0.000 0.482 17 R N 0.544 120.638 120.500 -0.677 0.000 2.651 17 R HA 0.713 5.053 4.340 -0.000 0.000 0.278 17 R C -1.669 174.605 176.300 -0.043 0.000 1.010 17 R CA -0.644 55.254 56.100 -0.336 0.000 0.896 17 R CB 1.539 31.715 30.300 -0.206 0.000 1.211 17 R HN 0.345 nan 8.270 nan 0.000 0.456 21 A N 4.706 127.577 122.820 0.084 0.000 2.312 21 A HA 0.893 5.212 4.320 -0.000 0.000 0.326 21 A C -0.638 177.036 177.584 0.150 0.000 1.172 21 A CA -0.625 51.480 52.037 0.113 0.000 0.821 21 A CB 1.084 20.155 19.000 0.118 0.000 1.166 21 A HN 0.761 nan 8.150 nan 0.000 0.493 22 R N 1.665 122.263 120.500 0.164 0.000 2.393 22 R HA 0.520 4.859 4.340 -0.000 0.000 0.315 22 R C -2.212 174.241 176.300 0.255 0.000 0.952 22 R CA -0.333 55.887 56.100 0.201 0.000 0.842 22 R CB 1.080 31.442 30.300 0.103 0.000 1.163 22 R HN 0.776 nan 8.270 nan 0.000 0.450 23 Y N 3.143 123.539 120.300 0.161 0.000 2.442 23 Y HA 0.286 4.836 4.550 -0.000 0.000 0.344 23 Y C -1.489 174.506 175.900 0.158 0.000 0.976 23 Y CA -0.711 57.471 58.100 0.137 0.000 1.040 23 Y CB 1.754 40.288 38.460 0.124 0.000 1.228 23 Y HN 0.675 nan 8.280 nan 0.000 0.451 24 E N 4.814 124.568 120.200 -0.744 0.000 2.278 24 E HA 0.410 4.760 4.350 -0.000 0.000 0.272 24 E C -0.202 175.933 176.600 -0.775 0.000 0.890 24 E CA -0.988 55.070 56.400 -0.570 0.000 0.770 24 E CB 2.267 31.896 29.700 -0.118 0.000 1.212 24 E HN 0.708 nan 8.360 nan 0.000 0.415 25 R N 1.691 121.969 120.500 -0.369 0.000 2.113 25 R HA -0.218 4.122 4.340 -0.000 0.000 0.244 25 R C 1.355 177.613 176.300 -0.071 0.000 1.142 25 R CA 2.493 58.558 56.100 -0.058 0.000 0.953 25 R CB -0.049 30.331 30.300 0.134 0.000 0.860 25 R HN 0.697 nan 8.270 nan 0.000 0.438 26 E N -0.741 119.420 120.200 -0.064 0.000 2.118 26 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 26 E C 1.881 178.452 176.600 -0.048 0.000 0.992 26 E CA 1.431 57.811 56.400 -0.033 0.000 0.804 26 E CB -0.040 29.648 29.700 -0.021 0.000 0.741 26 E HN 0.449 nan 8.360 nan 0.000 0.458 27 C N -0.179 119.062 119.300 -0.098 0.000 2.673 27 C HA 0.215 4.674 4.460 -0.000 0.000 0.264 27 C C 0.873 175.814 174.990 -0.082 0.000 1.304 27 C CA -0.584 58.382 59.018 -0.087 0.000 1.727 27 C CB -0.472 27.206 27.740 -0.103 0.000 1.932 27 C HN 0.374 nan 8.230 nan 0.000 0.563 28 R N 1.234 121.670 120.500 -0.106 0.000 3.627 28 R HA -0.159 4.181 4.340 -0.000 0.000 0.281 28 R C 0.197 176.489 176.300 -0.013 0.000 1.140 28 R CA 1.069 57.162 56.100 -0.010 0.000 0.761 28 R CB -2.140 28.189 30.300 0.047 0.000 1.181 28 R HN 0.754 nan 8.270 nan 0.000 0.472 29 S N -0.205 115.402 115.700 -0.154 0.000 2.438 29 S HA 0.626 5.096 4.470 -0.000 0.000 0.293 29 S C 0.155 174.761 174.600 0.011 0.000 1.141 29 S CA -0.906 57.254 58.200 -0.066 0.000 1.080 29 S CB 2.295 65.443 63.200 -0.087 0.000 0.978 29 S HN 0.300 nan 8.310 nan 0.000 0.479 30 L N 4.337 125.655 121.223 0.159 0.000 2.406 30 L HA 0.550 4.890 4.340 -0.000 0.000 0.270 30 L C -0.422 176.533 176.870 0.142 0.000 0.982 30 L CA -0.244 54.764 54.840 0.280 0.000 0.843 30 L CB 1.878 44.142 42.059 0.342 0.000 1.225 30 L HN 1.064 nan 8.230 nan 0.000 0.412 31 T N 2.479 117.107 114.554 0.123 0.000 2.918 31 T HA 0.630 4.979 4.350 -0.000 0.000 0.286 31 T C -0.648 174.104 174.700 0.085 0.000 1.026 31 T CA -0.766 61.379 62.100 0.076 0.000 1.031 31 T CB 2.265 71.156 68.868 0.037 0.000 1.046 31 T HN 0.473 nan 8.240 nan 0.000 0.479 32 L N 1.941 123.202 121.223 0.063 0.000 2.381 32 L HA 0.583 4.923 4.340 -0.000 0.000 0.274 32 L C -0.451 176.445 176.870 0.043 0.000 0.988 32 L CA -0.890 53.986 54.840 0.060 0.000 0.824 32 L CB 1.875 43.968 42.059 0.058 0.000 1.263 32 L HN 0.770 nan 8.230 nan 0.000 0.410 33 R N 2.522 123.048 120.500 0.044 0.000 2.562 33 R HA 0.367 4.707 4.340 -0.000 0.000 0.298 33 R C -0.823 175.501 176.300 0.039 0.000 0.961 33 R CA -0.750 55.373 56.100 0.037 0.000 0.881 33 R CB 2.448 32.771 30.300 0.039 0.000 1.159 33 R HN 0.482 nan 8.270 nan 0.000 0.450 34 E N 2.979 123.200 120.200 0.035 0.000 2.259 34 E HA 0.055 4.405 4.350 -0.000 0.000 0.281 34 E C 0.492 177.128 176.600 0.061 0.000 1.037 34 E CA -0.277 56.145 56.400 0.038 0.000 0.854 34 E CB 0.665 30.380 29.700 0.025 0.000 1.051 34 E HN 0.464 nan 8.360 nan 0.000 0.409 35 I N 2.737 123.356 120.570 0.082 0.000 2.556 35 I HA 0.027 4.197 4.170 -0.000 0.000 0.251 35 I C 0.542 176.773 176.117 0.191 0.000 1.105 35 I CA 0.782 62.149 61.300 0.110 0.000 1.436 35 I CB -0.647 37.412 38.000 0.098 0.000 1.139 35 I HN 0.557 nan 8.210 nan 0.000 0.438 36 H N 0.898 120.019 119.070 0.086 0.000 3.017 36 H HA 0.553 5.109 4.556 -0.000 0.000 0.340 36 H C -0.714 174.731 175.328 0.194 0.000 1.014 36 H CA -0.866 55.271 56.048 0.148 0.000 1.341 36 H CB 1.239 31.098 29.762 0.162 0.000 1.739 36 H HN -0.047 nan 8.280 nan 0.000 0.506 37 R N 4.592 124.981 120.500 -0.185 0.000 2.514 37 R HA 0.587 4.927 4.340 -0.000 0.000 0.301 37 R C -1.631 174.474 176.300 -0.325 0.000 0.962 37 R CA -0.504 55.420 56.100 -0.294 0.000 0.882 37 R CB 0.433 30.634 30.300 -0.165 0.000 1.143 37 R HN 0.379 nan 8.270 nan 0.000 0.452 38 F N 0.297 120.056 119.950 -0.318 0.000 2.626 38 F HA 0.549 5.076 4.527 -0.000 0.000 0.311 38 F C -0.591 175.167 175.800 -0.069 0.000 1.088 38 F CA -1.435 56.437 58.000 -0.213 0.000 0.949 38 F CB 1.014 39.887 39.000 -0.213 0.000 1.322 38 F HN 0.281 nan 8.300 nan 0.000 0.461 39 N N 1.870 120.664 118.700 0.158 0.000 2.508 39 N HA 0.182 4.922 4.740 -0.000 0.000 0.264 39 N C -1.163 174.468 175.510 0.202 0.000 1.216 39 N CA -0.068 53.050 53.050 0.113 0.000 0.943 39 N CB 1.039 39.594 38.487 0.113 0.000 1.113 39 N HN 0.859 nan 8.380 nan 0.000 0.447 40 N N -0.594 118.188 118.700 0.136 0.000 2.455 40 N HA 0.663 5.403 4.740 -0.000 0.000 0.278 40 N C -1.097 174.514 175.510 0.168 0.000 1.291 40 N CA -0.636 52.541 53.050 0.211 0.000 0.780 40 N CB 2.152 40.729 38.487 0.151 0.000 1.520 40 N HN 0.573 nan 8.380 nan 0.000 0.486 41 G N 0.661 109.603 108.800 0.237 0.000 2.338 41 G HA2 0.234 4.194 3.960 -0.000 0.000 0.295 41 G HA3 0.234 4.194 3.960 -0.000 0.000 0.295 41 G C -1.712 173.139 174.900 -0.081 0.000 1.461 41 G CA -0.819 44.329 45.100 0.079 0.000 0.817 41 G HN 0.454 nan 8.290 nan 0.000 0.556 42 L N 1.338 122.387 121.223 -0.290 0.000 2.397 42 L HA 0.433 4.773 4.340 -0.000 0.000 0.271 42 L C 0.004 176.554 176.870 -0.533 0.000 1.148 42 L CA -0.632 53.915 54.840 -0.488 0.000 0.825 42 L CB 0.806 42.600 42.059 -0.441 0.000 1.117 42 L HN 0.449 nan 8.230 nan 0.000 0.456 43 H N 1.394 120.363 119.070 -0.169 0.000 2.505 43 H HA 0.256 4.812 4.556 -0.000 0.000 0.338 43 H C -0.693 174.583 175.328 -0.087 0.000 1.057 43 H CA -0.628 55.375 56.048 -0.075 0.000 1.202 43 H CB 2.013 31.767 29.762 -0.013 0.000 1.466 43 H HN 0.494 nan 8.280 nan 0.000 0.499 44 S N 3.093 118.812 115.700 0.031 0.000 2.422 44 S HA 0.078 4.548 4.470 -0.000 0.000 0.283 44 S C 0.370 175.003 174.600 0.054 0.000 1.163 44 S CA -0.265 57.943 58.200 0.014 0.000 1.054 44 S CB 0.382 63.575 63.200 -0.011 0.000 0.967 44 S HN 0.530 nan 8.310 nan 0.000 0.499 45 Q N 3.414 123.254 119.800 0.066 0.000 2.303 45 Q HA 0.243 4.583 4.340 -0.000 0.000 0.267 45 Q C -0.887 175.183 176.000 0.116 0.000 1.011 45 Q CA -0.588 55.261 55.803 0.076 0.000 0.740 45 Q CB 0.338 29.114 28.738 0.064 0.000 1.250 45 Q HN 0.657 nan 8.270 nan 0.000 0.458 46 N N 3.085 121.839 118.700 0.090 0.000 2.740 46 N HA -0.231 4.509 4.740 -0.000 0.000 0.248 46 N C 0.497 176.105 175.510 0.163 0.000 1.062 46 N CA 1.517 54.637 53.050 0.117 0.000 0.704 46 N CB -1.650 36.913 38.487 0.126 0.000 0.968 46 N HN 1.124 nan 8.380 nan 0.000 0.547 47 G N -2.482 106.344 108.800 0.045 0.000 2.159 47 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.256 47 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.256 47 G C -0.272 174.415 174.900 -0.355 0.000 0.977 47 G CA 0.649 45.676 45.100 -0.121 0.000 0.652 47 G HN 0.513 nan 8.290 nan 0.000 0.531 48 Y N -1.141 119.139 120.300 -0.033 0.000 2.524 48 Y HA 0.608 5.158 4.550 -0.000 0.000 0.344 48 Y C 0.407 176.254 175.900 -0.087 0.000 1.012 48 Y CA -1.100 56.968 58.100 -0.053 0.000 1.068 48 Y CB 2.225 40.656 38.460 -0.049 0.000 1.249 48 Y HN 0.067 nan 8.280 nan 0.000 0.468 49 V N 2.631 122.552 119.914 0.012 0.000 2.364 49 V HA 0.462 4.582 4.120 -0.000 0.000 0.272 49 V C -0.065 175.897 176.094 -0.221 0.000 1.036 49 V CA -0.460 61.756 62.300 -0.140 0.000 0.880 49 V CB 0.506 32.194 31.823 -0.225 0.000 0.991 49 V HN 0.914 nan 8.190 nan 0.000 0.460 50 T N 0.788 115.199 114.554 -0.238 0.000 2.888 50 T HA 0.679 5.029 4.350 -0.000 0.000 0.288 50 T C -0.971 173.532 174.700 -0.329 0.000 1.063 50 T CA -0.860 61.087 62.100 -0.255 0.000 1.010 50 T CB 1.552 70.396 68.868 -0.041 0.000 1.214 50 T HN 0.415 nan 8.240 nan 0.000 0.533 51 W N 0.408 121.784 121.300 0.126 0.000 2.496 51 W HA 0.472 5.132 4.660 -0.000 0.000 0.327 51 W C 0.022 176.647 176.519 0.178 0.000 1.086 51 W CA -0.661 56.813 57.345 0.215 0.000 1.222 51 W CB 0.930 30.582 29.460 0.320 0.000 1.304 51 W HN 0.605 nan 8.180 nan 0.000 0.547 52 D N 2.273 122.946 120.400 0.455 0.000 2.522 52 D HA 0.034 4.674 4.640 -0.000 0.000 0.218 52 D C 1.108 177.585 176.300 0.296 0.000 1.149 52 D CA -0.155 53.959 54.000 0.191 0.000 0.981 52 D CB 0.697 41.451 40.800 -0.077 0.000 1.041 52 D HN 0.272 nan 8.370 nan 0.000 0.518 53 V N 0.725 120.832 119.914 0.323 0.000 2.515 53 V HA -0.113 4.007 4.120 -0.000 0.000 0.250 53 V C 1.481 177.819 176.094 0.407 0.000 1.058 53 V CA 1.135 63.701 62.300 0.445 0.000 1.064 53 V CB -0.221 31.774 31.823 0.286 0.000 0.675 53 V HN 0.163 nan 8.190 nan 0.000 0.461 54 D N 1.191 121.736 120.400 0.241 0.000 2.117 54 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 54 D C 2.463 178.840 176.300 0.128 0.000 0.987 54 D CA 1.937 56.044 54.000 0.178 0.000 0.829 54 D CB -0.250 40.613 40.800 0.105 0.000 0.961 54 D HN 0.536 nan 8.370 nan 0.000 0.460 55 S N 0.279 116.040 115.700 0.102 0.000 2.383 55 S HA -0.031 4.439 4.470 -0.000 0.000 0.227 55 S C 2.201 176.804 174.600 0.005 0.000 1.026 55 S CA 0.358 58.585 58.200 0.046 0.000 0.981 55 S CB -0.104 63.124 63.200 0.047 0.000 0.818 55 S HN 0.233 nan 8.310 nan 0.000 0.472 56 L N 1.254 122.535 121.223 0.098 0.000 2.017 56 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 56 L C 2.720 179.472 176.870 -0.196 0.000 1.073 56 L CA 1.493 56.320 54.840 -0.021 0.000 0.745 56 L CB -0.520 41.626 42.059 0.145 0.000 0.894 56 L HN 0.377 nan 8.230 nan 0.000 0.432 57 E N -0.088 120.138 120.200 0.044 0.000 2.085 57 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 57 E C 2.238 178.785 176.600 -0.088 0.000 0.994 57 E CA 1.540 57.954 56.400 0.022 0.000 0.801 57 E CB 0.111 29.944 29.700 0.222 0.000 0.743 57 E HN 0.342 nan 8.360 nan 0.000 0.453 58 S N 0.139 115.796 115.700 -0.071 0.000 2.368 58 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 58 S C 1.965 176.448 174.600 -0.195 0.000 1.030 58 S CA 0.925 59.067 58.200 -0.096 0.000 0.999 58 S CB -0.218 62.948 63.200 -0.057 0.000 0.844 58 S HN 0.489 nan 8.310 nan 0.000 0.459 59 A N 1.390 124.011 122.820 -0.332 0.000 1.902 59 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 59 A C 2.053 179.368 177.584 -0.448 0.000 1.181 59 A CA 1.294 52.990 52.037 -0.569 0.000 0.623 59 A CB -0.715 17.419 19.000 -1.444 0.000 0.818 59 A HN 0.487 nan 8.150 nan 0.000 0.443 60 I N -0.916 119.410 120.570 -0.406 0.000 2.179 60 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 60 I C 2.794 178.774 176.117 -0.228 0.000 1.088 60 I CA 1.507 62.655 61.300 -0.253 0.000 1.357 60 I CB -0.339 37.484 38.000 -0.295 0.000 1.051 60 I HN 0.272 nan 8.210 nan 0.000 0.409 61 R N 0.385 120.762 120.500 -0.205 0.000 2.091 61 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 61 R C 2.389 178.625 176.300 -0.107 0.000 1.136 61 R CA 1.378 57.392 56.100 -0.142 0.000 0.959 61 R CB -0.570 29.709 30.300 -0.035 0.000 0.856 61 R HN 0.343 nan 8.270 nan 0.000 0.437 62 L N 0.236 121.368 121.223 -0.152 0.000 2.012 62 L HA -0.160 4.179 4.340 -0.000 0.000 0.210 62 L C 2.304 179.067 176.870 -0.179 0.000 1.073 62 L CA 1.944 56.665 54.840 -0.198 0.000 0.748 62 L CB -0.686 41.153 42.059 -0.366 0.000 0.891 62 L HN 0.293 nan 8.230 nan 0.000 0.431 63 G N -0.349 108.368 108.800 -0.138 0.000 2.421 63 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 63 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 63 G C 1.520 176.396 174.900 -0.040 0.000 1.171 63 G CA 0.996 46.086 45.100 -0.015 0.000 0.775 63 G HN 0.374 nan 8.290 nan 0.000 0.543 64 L N 0.207 121.354 121.223 -0.127 0.000 2.012 64 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 64 L C 2.672 179.572 176.870 0.051 0.000 1.073 64 L CA 1.607 56.338 54.840 -0.181 0.000 0.748 64 L CB -0.629 41.021 42.059 -0.682 0.000 0.891 64 L HN 0.254 nan 8.230 nan 0.000 0.431 65 N N -0.552 118.208 118.700 0.100 0.000 2.309 65 N HA -0.136 4.604 4.740 -0.000 0.000 0.182 65 N C 1.768 177.329 175.510 0.085 0.000 1.018 65 N CA 0.553 53.704 53.050 0.169 0.000 0.876 65 N CB 0.118 38.687 38.487 0.137 0.000 0.972 65 N HN 0.241 nan 8.380 nan 0.000 0.434 66 K N 0.529 120.950 120.400 0.034 0.000 2.032 66 K HA -0.093 4.227 4.320 -0.000 0.000 0.209 66 K C 1.924 178.555 176.600 0.052 0.000 1.048 66 K CA 1.045 57.349 56.287 0.027 0.000 0.927 66 K CB -0.452 32.053 32.500 0.009 0.000 0.712 66 K HN 0.089 nan 8.250 nan 0.000 0.441 67 V N 1.397 121.350 119.914 0.064 0.000 2.343 67 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 67 V C 2.633 178.784 176.094 0.095 0.000 1.051 67 V CA 1.628 63.975 62.300 0.079 0.000 1.036 67 V CB -0.722 31.149 31.823 0.080 0.000 0.654 67 V HN 0.349 nan 8.190 nan 0.000 0.451 68 c N 0.539 119.215 118.600 0.126 0.000 2.436 68 c HA -0.085 4.484 4.570 -0.000 0.000 0.277 68 c C 3.107 177.240 174.090 0.072 0.000 1.241 68 c CA 0.850 57.250 56.329 0.119 0.000 1.721 68 c CB -1.413 41.191 42.510 0.157 0.000 2.043 68 c HN 0.620 nan 8.230 nan 0.000 0.472 69 A N 0.225 123.082 122.820 0.062 0.000 2.067 69 A HA 0.192 4.512 4.320 -0.000 0.000 0.219 69 A C 2.194 179.801 177.584 0.038 0.000 1.158 69 A CA 1.644 53.705 52.037 0.040 0.000 0.661 69 A CB -0.571 18.448 19.000 0.032 0.000 0.801 69 A HN 0.611 nan 8.150 nan 0.000 0.452 70 A N -1.577 121.271 122.820 0.046 0.000 2.167 70 A HA 0.374 4.694 4.320 -0.000 0.000 0.214 70 A C 1.889 179.502 177.584 0.049 0.000 1.151 70 A CA 1.261 53.326 52.037 0.045 0.000 0.735 70 A CB -0.919 18.112 19.000 0.051 0.000 0.802 70 A HN 1.831 nan 8.150 nan 0.000 0.467 71 G N -0.978 107.852 108.800 0.051 0.000 2.143 71 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 71 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 71 G C 0.122 175.061 174.900 0.065 0.000 0.991 71 G CA 0.317 45.446 45.100 0.050 0.000 0.689 71 G HN 0.491 nan 8.290 nan 0.000 0.522 72 I N 1.157 121.774 120.570 0.079 0.000 2.529 72 I HA 0.436 4.606 4.170 -0.000 0.000 0.284 72 I C 1.171 177.341 176.117 0.089 0.000 1.082 72 I CA 0.019 61.380 61.300 0.101 0.000 1.406 72 I CB 1.425 39.492 38.000 0.111 0.000 1.405 72 I HN 0.262 nan 8.210 nan 0.000 0.548 73 A N 8.254 131.122 122.820 0.081 0.000 2.539 73 A HA 0.423 4.743 4.320 -0.000 0.000 0.306 73 A C 0.059 177.675 177.584 0.053 0.000 1.392 73 A CA -0.373 51.690 52.037 0.044 0.000 1.060 73 A CB -0.736 18.258 19.000 -0.010 0.000 1.134 73 A HN 0.632 nan 8.150 nan 0.000 0.542 74 I N 2.304 122.921 120.570 0.077 0.000 2.517 74 I HA 0.033 4.203 4.170 -0.000 0.000 0.285 74 I C 0.401 176.560 176.117 0.069 0.000 1.106 74 I CA -0.090 61.262 61.300 0.087 0.000 1.402 74 I CB 0.742 38.817 38.000 0.124 0.000 1.399 74 I HN 0.633 nan 8.210 nan 0.000 0.535 75 D N 3.642 124.073 120.400 0.053 0.000 2.301 75 D HA 0.024 4.664 4.640 -0.000 0.000 0.206 75 D C 0.523 176.847 176.300 0.041 0.000 0.979 75 D CA 0.828 54.850 54.000 0.038 0.000 0.874 75 D CB 0.605 41.419 40.800 0.024 0.000 0.968 75 D HN 0.683 nan 8.370 nan 0.000 0.510 76 S N -0.635 115.088 115.700 0.039 0.000 2.595 76 S HA 0.565 5.035 4.470 -0.000 0.000 0.270 76 S C -1.243 173.362 174.600 0.008 0.000 1.145 76 S CA -0.918 57.294 58.200 0.019 0.000 0.825 76 S CB 1.502 64.697 63.200 -0.008 0.000 1.107 76 S HN -0.012 nan 8.310 nan 0.000 0.461 77 I N 0.394 120.954 120.570 -0.017 0.000 2.730 77 I HA 0.789 4.959 4.170 -0.000 0.000 0.298 77 I C 0.247 176.324 176.117 -0.066 0.000 1.089 77 I CA -0.552 60.716 61.300 -0.052 0.000 1.041 77 I CB 2.534 40.480 38.000 -0.091 0.000 1.235 77 I HN 1.060 nan 8.210 nan 0.000 0.423 78 G N 5.245 114.001 108.800 -0.072 0.000 2.696 78 G HA2 0.812 4.772 3.960 -0.000 0.000 0.295 78 G HA3 0.812 4.772 3.960 -0.000 0.000 0.295 78 G C -1.499 173.360 174.900 -0.069 0.000 1.398 78 G CA -0.454 44.604 45.100 -0.071 0.000 0.920 78 G HN 0.432 nan 8.290 nan 0.000 0.492 79 I N 1.082 121.616 120.570 -0.059 0.000 2.466 79 I HA 0.377 4.547 4.170 -0.000 0.000 0.289 79 I C -1.289 174.805 176.117 -0.038 0.000 1.026 79 I CA -0.800 60.471 61.300 -0.049 0.000 1.078 79 I CB 2.449 40.431 38.000 -0.030 0.000 1.249 79 I HN 0.740 nan 8.210 nan 0.000 0.429 80 D N 3.196 123.572 120.400 -0.039 0.000 2.575 80 D HA 0.757 5.397 4.640 -0.000 0.000 0.236 80 D C -0.502 175.775 176.300 -0.039 0.000 1.075 80 D CA -0.420 53.559 54.000 -0.035 0.000 0.860 80 D CB 2.361 43.140 40.800 -0.035 0.000 1.475 80 D HN 0.584 nan 8.370 nan 0.000 0.474 81 T N -1.741 112.774 114.554 -0.064 0.000 2.778 81 T HA 0.575 4.925 4.350 -0.000 0.000 0.293 81 T C -0.925 173.758 174.700 -0.028 0.000 1.144 81 T CA -1.376 60.644 62.100 -0.134 0.000 1.010 81 T CB 0.226 68.778 68.868 -0.527 0.000 1.325 81 T HN 0.713 nan 8.240 nan 0.000 0.515 82 W N 0.768 122.098 121.300 0.049 0.000 2.148 82 W HA 0.622 5.282 4.660 -0.000 0.000 0.347 82 W C 0.514 177.093 176.519 0.101 0.000 1.288 82 W CA -0.293 57.109 57.345 0.094 0.000 1.252 82 W CB -0.334 29.185 29.460 0.099 0.000 1.156 82 W HN 0.968 nan 8.180 nan 0.000 0.580 83 G N 0.564 109.472 108.800 0.180 0.000 2.588 83 G HA2 0.321 4.281 3.960 -0.000 0.000 0.278 83 G HA3 0.321 4.281 3.960 -0.000 0.000 0.278 83 G C 0.467 175.388 174.900 0.035 0.000 1.307 83 G CA 0.124 45.166 45.100 -0.096 0.000 1.016 83 G HN 1.352 nan 8.290 nan 0.000 0.503 84 V N -1.163 118.765 119.914 0.022 0.000 0.449 84 V HA -0.246 3.874 4.120 -0.000 0.000 0.092 84 V C 0.815 177.128 176.094 0.365 0.000 2.531 84 V CA 2.374 64.791 62.300 0.196 0.000 3.708 84 V CB -1.640 30.337 31.823 0.257 0.000 0.981 84 V HN 0.794 nan 8.190 nan 0.000 1.031 85 D N 0.519 121.134 120.400 0.357 0.000 2.339 85 D HA 0.597 5.237 4.640 -0.000 0.000 0.245 85 D C -0.338 176.105 176.300 0.238 0.000 1.115 85 D CA 0.546 54.762 54.000 0.361 0.000 0.917 85 D CB 0.918 42.081 40.800 0.606 0.000 1.192 85 D HN 0.548 nan 8.370 nan 0.000 0.428 86 F N -1.843 118.193 119.950 0.143 0.000 2.664 86 F HA 0.709 5.236 4.527 -0.000 0.000 0.317 86 F C -1.318 174.450 175.800 -0.054 0.000 1.108 86 F CA -1.215 56.807 58.000 0.037 0.000 0.957 86 F CB 0.961 40.019 39.000 0.096 0.000 1.365 86 F HN 0.021 nan 8.300 nan 0.000 0.475 87 V N 2.692 122.600 119.914 -0.010 0.000 2.531 87 V HA 0.444 4.564 4.120 -0.000 0.000 0.301 87 V C -0.348 175.719 176.094 -0.045 0.000 1.034 87 V CA -0.772 61.390 62.300 -0.230 0.000 0.865 87 V CB 1.702 33.049 31.823 -0.794 0.000 0.995 87 V HN 0.719 nan 8.190 nan 0.000 0.424 88 L N 5.657 126.855 121.223 -0.042 0.000 2.350 88 L HA 0.605 4.945 4.340 -0.000 0.000 0.275 88 L C -0.615 176.167 176.870 -0.145 0.000 1.099 88 L CA -0.214 54.556 54.840 -0.116 0.000 0.808 88 L CB 0.960 42.932 42.059 -0.145 0.000 1.149 88 L HN 0.408 nan 8.230 nan 0.000 0.442 89 L N 1.781 122.905 121.223 -0.164 0.000 2.401 89 L HA 0.428 4.768 4.340 -0.000 0.000 0.266 89 L C -0.602 176.204 176.870 -0.106 0.000 0.991 89 L CA -1.014 53.772 54.840 -0.090 0.000 0.818 89 L CB 2.129 44.155 42.059 -0.055 0.000 1.321 89 L HN 0.599 nan 8.230 nan 0.000 0.413 90 D N -0.041 120.332 120.400 -0.045 0.000 2.447 90 D HA 0.054 4.694 4.640 -0.000 0.000 0.265 90 D C 0.824 177.132 176.300 0.014 0.000 1.250 90 D CA -0.484 53.499 54.000 -0.029 0.000 1.046 90 D CB 0.482 41.291 40.800 0.015 0.000 1.095 90 D HN 0.644 nan 8.370 nan 0.000 0.555 91 Q N -1.640 118.168 119.800 0.015 0.000 2.291 91 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 91 Q C 1.088 177.139 176.000 0.085 0.000 0.976 91 Q CA 1.166 56.997 55.803 0.046 0.000 0.875 91 Q CB -0.246 28.507 28.738 0.024 0.000 0.927 91 Q HN 0.326 nan 8.270 nan 0.000 0.450 92 Q N -0.347 119.499 119.800 0.076 0.000 2.319 92 Q HA 0.192 4.532 4.340 -0.000 0.000 0.202 92 Q C 0.864 176.939 176.000 0.125 0.000 0.896 92 Q CA 0.773 56.629 55.803 0.088 0.000 0.942 92 Q CB 1.371 30.148 28.738 0.065 0.000 1.083 92 Q HN 0.643 nan 8.270 nan 0.000 0.510 93 G N 0.557 109.437 108.800 0.133 0.000 2.159 93 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.227 93 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.227 93 G C 0.114 175.128 174.900 0.190 0.000 0.986 93 G CA -0.283 44.943 45.100 0.210 0.000 0.651 93 G HN 0.184 nan 8.290 nan 0.000 0.523 94 Q N 0.438 120.302 119.800 0.107 0.000 2.299 94 Q HA 0.377 4.717 4.340 -0.000 0.000 0.246 94 Q C 0.874 176.899 176.000 0.041 0.000 0.935 94 Q CA -0.327 55.522 55.803 0.077 0.000 0.887 94 Q CB 0.870 29.632 28.738 0.040 0.000 1.223 94 Q HN 0.514 nan 8.270 nan 0.000 0.439 95 R N 0.476 120.994 120.500 0.030 0.000 2.590 95 R HA 0.225 4.565 4.340 -0.000 0.000 0.274 95 R C -0.351 175.908 176.300 -0.069 0.000 1.061 95 R CA -0.158 55.921 56.100 -0.034 0.000 1.081 95 R CB 0.374 30.638 30.300 -0.060 0.000 0.984 95 R HN 0.255 nan 8.270 nan 0.000 0.448 96 V N 2.874 122.728 119.914 -0.101 0.000 2.398 96 V HA 0.452 4.572 4.120 -0.000 0.000 0.286 96 V C 0.873 176.895 176.094 -0.121 0.000 1.026 96 V CA 0.214 62.443 62.300 -0.119 0.000 0.868 96 V CB 1.081 32.826 31.823 -0.130 0.000 0.982 96 V HN 1.106 nan 8.190 nan 0.000 0.443 97 G N 4.490 113.215 108.800 -0.125 0.000 2.645 97 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.246 97 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.246 97 G C -0.621 174.195 174.900 -0.141 0.000 1.322 97 G CA -0.096 44.923 45.100 -0.134 0.000 0.898 97 G HN 0.725 nan 8.290 nan 0.000 0.573 98 L N 1.323 122.439 121.223 -0.177 0.000 2.375 98 L HA 0.525 4.865 4.340 -0.000 0.000 0.268 98 L C -1.630 175.146 176.870 -0.157 0.000 1.058 98 L CA -1.861 52.881 54.840 -0.163 0.000 0.803 98 L CB 1.768 43.701 42.059 -0.210 0.000 1.212 98 L HN 0.445 nan 8.230 nan 0.000 0.451 99 P HA 0.157 nan 4.420 nan 0.000 0.241 99 P C -0.570 176.710 177.300 -0.032 0.000 1.780 99 P CA -0.230 62.821 63.100 -0.082 0.000 1.111 99 P CB 0.304 32.010 31.700 0.010 0.000 1.852 100 V N 2.594 122.429 119.914 -0.131 0.000 2.715 100 V HA 0.333 4.453 4.120 -0.000 0.000 0.299 100 V C 1.115 177.164 176.094 -0.075 0.000 1.054 100 V CA -0.297 61.939 62.300 -0.106 0.000 1.077 100 V CB 0.562 32.346 31.823 -0.064 0.000 0.972 100 V HN 0.536 nan 8.190 nan 0.000 0.484 101 A N 3.764 126.433 122.820 -0.252 0.000 2.286 101 A HA 0.538 4.858 4.320 -0.000 0.000 0.286 101 A C 0.586 178.130 177.584 -0.067 0.000 1.097 101 A CA -0.392 51.431 52.037 -0.357 0.000 0.821 101 A CB 0.214 18.448 19.000 -1.278 0.000 1.076 101 A HN 1.016 nan 8.150 nan 0.000 0.490 102 Y N -0.370 120.011 120.300 0.136 0.000 2.421 102 Y HA -0.040 4.510 4.550 -0.000 0.000 0.292 102 Y C 1.709 177.536 175.900 -0.121 0.000 1.136 102 Y CA 1.088 59.229 58.100 0.068 0.000 1.255 102 Y CB -0.199 38.265 38.460 0.008 0.000 0.991 102 Y HN 0.531 nan 8.280 nan 0.000 0.552 103 R N 1.183 121.338 120.500 -0.576 0.000 2.307 103 R HA -0.005 4.334 4.340 -0.000 0.000 0.199 103 R C -0.319 175.877 176.300 -0.175 0.000 1.000 103 R CA 0.525 56.371 56.100 -0.423 0.000 1.023 103 R CB -0.716 29.207 30.300 -0.628 0.000 0.908 103 R HN 0.461 nan 8.270 nan 0.000 0.473 104 D N 0.590 120.921 120.400 -0.114 0.000 2.443 104 D HA -0.056 4.584 4.640 -0.000 0.000 0.239 104 D C 0.940 177.278 176.300 0.063 0.000 1.136 104 D CA 0.238 54.229 54.000 -0.016 0.000 0.879 104 D CB 0.930 41.764 40.800 0.056 0.000 1.195 104 D HN 0.034 nan 8.370 nan 0.000 0.443 105 S N 2.987 118.707 115.700 0.033 0.000 2.593 105 S HA -0.087 4.383 4.470 -0.000 0.000 0.217 105 S C 1.712 176.364 174.600 0.087 0.000 0.966 105 S CA -0.022 58.214 58.200 0.060 0.000 0.914 105 S CB -0.225 62.984 63.200 0.016 0.000 0.776 105 S HN 0.642 nan 8.310 nan 0.000 0.523 106 R N 1.856 122.424 120.500 0.114 0.000 2.170 106 R HA -0.127 4.213 4.340 -0.000 0.000 0.242 106 R C 1.794 178.204 176.300 0.182 0.000 1.145 106 R CA 1.971 58.166 56.100 0.159 0.000 0.984 106 R CB -1.791 28.662 30.300 0.254 0.000 0.869 106 R HN 0.554 nan 8.270 nan 0.000 0.455 107 T N -2.021 112.664 114.554 0.217 0.000 3.113 107 T HA 0.027 4.377 4.350 -0.000 0.000 0.256 107 T C 0.467 175.277 174.700 0.184 0.000 1.131 107 T CA -0.126 62.124 62.100 0.251 0.000 1.074 107 T CB -0.552 68.520 68.868 0.340 0.000 0.944 107 T HN 0.314 nan 8.240 nan 0.000 0.516 108 N N 1.585 120.369 118.700 0.140 0.000 2.359 108 N HA 0.310 5.050 4.740 -0.000 0.000 0.261 108 N C 1.259 176.816 175.510 0.078 0.000 1.267 108 N CA 0.675 53.784 53.050 0.098 0.000 0.864 108 N CB 0.165 38.696 38.487 0.073 0.000 1.063 108 N HN 0.520 nan 8.380 nan 0.000 0.474 109 G N 1.633 110.463 108.800 0.049 0.000 2.258 109 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.233 109 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.233 109 G C 0.321 175.250 174.900 0.048 0.000 1.006 109 G CA -0.270 44.853 45.100 0.038 0.000 0.620 109 G HN 0.405 nan 8.290 nan 0.000 0.511 113 Q N 0.402 120.211 119.800 0.016 0.000 2.124 113 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 113 Q C 2.091 178.141 176.000 0.082 0.000 0.977 113 Q CA 2.003 57.887 55.803 0.134 0.000 0.850 113 Q CB -0.182 28.735 28.738 0.298 0.000 0.901 113 Q HN 0.784 nan 8.270 nan 0.000 0.429 114 A N 0.581 123.324 122.820 -0.127 0.000 1.898 114 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 114 A C 1.923 179.292 177.584 -0.357 0.000 1.181 114 A CA 1.492 53.125 52.037 -0.673 0.000 0.620 114 A CB -0.525 17.907 19.000 -0.946 0.000 0.819 114 A HN 0.500 nan 8.150 nan 0.000 0.442 115 Q N -0.583 119.082 119.800 -0.225 0.000 2.135 115 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 115 Q C 2.279 178.196 176.000 -0.138 0.000 0.981 115 Q CA 1.847 57.529 55.803 -0.202 0.000 0.856 115 Q CB -0.231 28.325 28.738 -0.304 0.000 0.902 115 Q HN 0.791 nan 8.270 nan 0.000 0.425 116 Q N 0.228 119.968 119.800 -0.099 0.000 2.079 116 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 116 Q C 2.032 178.022 176.000 -0.016 0.000 0.974 116 Q CA 1.215 56.992 55.803 -0.044 0.000 0.840 116 Q CB 0.077 28.808 28.738 -0.011 0.000 0.898 116 Q HN 0.414 nan 8.270 nan 0.000 0.430 117 Q N -0.201 119.598 119.800 -0.003 0.000 2.123 117 Q HA 0.021 4.361 4.340 -0.000 0.000 0.196 117 Q C 1.937 177.935 176.000 -0.003 0.000 0.958 117 Q CA 0.781 56.614 55.803 0.049 0.000 0.841 117 Q CB 0.320 29.183 28.738 0.207 0.000 0.915 117 Q HN 0.329 nan 8.270 nan 0.000 0.455 118 L N -1.253 119.907 121.223 -0.105 0.000 2.357 118 L HA 0.270 4.610 4.340 -0.000 0.000 0.211 118 L C 0.579 177.419 176.870 -0.050 0.000 1.075 118 L CA 0.311 55.093 54.840 -0.097 0.000 0.830 118 L CB 0.302 42.233 42.059 -0.215 0.000 0.996 118 L HN 0.262 nan 8.230 nan 0.000 0.467 119 G N 1.173 109.938 108.800 -0.059 0.000 3.355 119 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.686 119 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.686 119 G C 0.171 175.063 174.900 -0.013 0.000 1.097 119 G CA 0.006 45.086 45.100 -0.034 0.000 0.881 119 G HN 0.108 nan 8.290 nan 0.000 0.550 120 K N 1.466 121.828 120.400 -0.065 0.000 2.044 120 K HA -0.155 4.165 4.320 -0.000 0.000 0.210 120 K C 2.526 179.210 176.600 0.140 0.000 1.049 120 K CA 1.915 58.147 56.287 -0.092 0.000 0.927 120 K CB -0.066 32.267 32.500 -0.278 0.000 0.713 120 K HN 0.475 nan 8.250 nan 0.000 0.443 121 R N 0.481 121.032 120.500 0.085 0.000 2.096 121 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 121 R C 2.061 178.464 176.300 0.171 0.000 1.127 121 R CA 1.910 58.097 56.100 0.144 0.000 0.968 121 R CB -0.327 30.017 30.300 0.074 0.000 0.861 121 R HN 0.335 nan 8.270 nan 0.000 0.440 122 D N 0.181 120.646 120.400 0.109 0.000 2.084 122 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 122 D C 1.703 178.059 176.300 0.094 0.000 0.990 122 D CA 1.471 55.517 54.000 0.077 0.000 0.826 122 D CB -0.056 40.767 40.800 0.038 0.000 0.971 122 D HN 0.235 nan 8.370 nan 0.000 0.453 123 I N -0.464 120.192 120.570 0.144 0.000 2.264 123 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 123 I C 2.197 178.382 176.117 0.113 0.000 1.111 123 I CA 0.988 62.367 61.300 0.132 0.000 1.382 123 I CB -0.404 37.740 38.000 0.241 0.000 1.060 123 I HN 0.086 nan 8.210 nan 0.000 0.418 124 Y N 1.465 121.827 120.300 0.102 0.000 2.220 124 Y HA -0.210 4.340 4.550 -0.000 0.000 0.291 124 Y C 2.642 178.534 175.900 -0.014 0.000 1.129 124 Y CA 1.559 59.670 58.100 0.018 0.000 1.161 124 Y CB -0.239 38.323 38.460 0.170 0.000 0.997 124 Y HN 0.128 nan 8.280 nan 0.000 0.522 125 Q N -0.488 119.344 119.800 0.052 0.000 2.167 125 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 125 Q C 2.245 178.182 176.000 -0.106 0.000 0.970 125 Q CA 1.401 57.173 55.803 -0.051 0.000 0.855 125 Q CB -0.023 28.730 28.738 0.024 0.000 0.911 125 Q HN 0.438 nan 8.270 nan 0.000 0.438 126 R N -0.504 119.950 120.500 -0.077 0.000 2.073 126 R HA -0.052 4.287 4.340 -0.000 0.000 0.229 126 R C 2.423 178.643 176.300 -0.132 0.000 1.120 126 R CA 1.630 57.679 56.100 -0.085 0.000 0.967 126 R CB 0.036 30.305 30.300 -0.052 0.000 0.862 126 R HN 0.226 nan 8.270 nan 0.000 0.436 127 S N -1.456 114.135 115.700 -0.181 0.000 2.497 127 S HA 0.130 4.600 4.470 -0.000 0.000 0.221 127 S C 1.550 175.975 174.600 -0.291 0.000 1.037 127 S CA 0.330 58.403 58.200 -0.212 0.000 0.920 127 S CB 0.745 63.817 63.200 -0.213 0.000 0.800 127 S HN 0.421 nan 8.310 nan 0.000 0.505 128 G N 1.711 110.230 108.800 -0.470 0.000 2.233 128 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.270 128 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.270 128 G C -0.025 174.579 174.900 -0.493 0.000 1.011 128 G CA 0.617 45.317 45.100 -0.667 0.000 0.762 128 G HN 0.519 nan 8.290 nan 0.000 0.511 129 I N 0.659 121.004 120.570 -0.376 0.000 2.460 129 I HA 0.278 4.448 4.170 -0.000 0.000 0.298 129 I C 1.048 177.074 176.117 -0.151 0.000 0.989 129 I CA -1.110 60.063 61.300 -0.211 0.000 1.173 129 I CB 1.470 39.334 38.000 -0.225 0.000 1.338 129 I HN 0.532 nan 8.210 nan 0.000 0.456 130 Q N 4.196 123.967 119.800 -0.048 0.000 2.432 130 Q HA 0.185 4.525 4.340 -0.000 0.000 0.264 130 Q C -1.346 174.550 176.000 -0.174 0.000 1.035 130 Q CA 0.054 55.857 55.803 0.001 0.000 0.908 130 Q CB 0.296 29.060 28.738 0.044 0.000 1.280 130 Q HN 0.329 nan 8.270 nan 0.000 0.455 131 F N 2.018 122.004 119.950 0.060 0.000 2.434 131 F HA 0.285 4.812 4.527 -0.000 0.000 0.358 131 F C -0.292 175.483 175.800 -0.040 0.000 1.136 131 F CA -0.231 57.793 58.000 0.039 0.000 1.157 131 F CB 0.331 39.333 39.000 0.003 0.000 1.167 131 F HN 0.302 nan 8.300 nan 0.000 0.539 132 L N 6.364 127.593 121.223 0.009 0.000 2.362 132 L HA 0.383 4.722 4.340 -0.000 0.000 0.275 132 L C -1.476 175.246 176.870 -0.247 0.000 0.998 132 L CA -1.925 52.744 54.840 -0.285 0.000 0.820 132 L CB 2.215 43.824 42.059 -0.751 0.000 1.270 132 L HN 0.255 nan 8.230 nan 0.000 0.415 133 P HA -0.170 nan 4.420 nan 0.000 0.223 133 P C 0.715 178.129 177.300 0.190 0.000 1.144 133 P CA 1.315 64.393 63.100 -0.037 0.000 0.783 133 P CB -0.035 31.710 31.700 0.074 0.000 0.771 134 F N -2.725 117.432 119.950 0.345 0.000 2.639 134 F HA 0.429 4.956 4.527 -0.000 0.000 0.302 134 F C 0.263 176.279 175.800 0.359 0.000 1.097 134 F CA -1.825 56.398 58.000 0.371 0.000 1.294 134 F CB -1.513 37.711 39.000 0.373 0.000 1.027 134 F HN -0.343 nan 8.300 nan 0.000 0.550 135 N N 1.534 120.370 118.700 0.225 0.000 2.345 135 N HA -0.053 4.687 4.740 -0.000 0.000 0.243 135 N C 1.392 177.003 175.510 0.168 0.000 1.246 135 N CA 0.792 53.921 53.050 0.132 0.000 0.863 135 N CB 0.858 39.307 38.487 -0.064 0.000 1.096 135 N HN 0.173 nan 8.380 nan 0.000 0.446 136 T N 1.301 115.947 114.554 0.154 0.000 2.737 136 T HA -0.213 4.137 4.350 -0.000 0.000 0.269 136 T C 1.934 176.672 174.700 0.064 0.000 1.040 136 T CA 0.867 63.093 62.100 0.209 0.000 1.142 136 T CB -0.172 68.800 68.868 0.173 0.000 0.861 136 T HN 0.425 nan 8.240 nan 0.000 0.456 137 L N 0.676 121.801 121.223 -0.163 0.000 2.051 137 L HA -0.194 4.146 4.340 -0.000 0.000 0.214 137 L C 1.992 178.848 176.870 -0.024 0.000 1.076 137 L CA 1.882 56.578 54.840 -0.240 0.000 0.758 137 L CB -0.867 40.843 42.059 -0.582 0.000 0.890 137 L HN 0.334 nan 8.230 nan 0.000 0.433 138 Y N -0.962 119.536 120.300 0.330 0.000 2.365 138 Y HA 0.017 4.567 4.550 -0.000 0.000 0.293 138 Y C 2.629 178.724 175.900 0.326 0.000 1.119 138 Y CA 0.737 59.065 58.100 0.380 0.000 1.203 138 Y CB -0.882 37.766 38.460 0.312 0.000 1.026 138 Y HN 0.284 nan 8.280 nan 0.000 0.549 139 Q N 0.131 120.197 119.800 0.443 0.000 2.124 139 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 139 Q C 2.119 178.359 176.000 0.400 0.000 0.977 139 Q CA 1.451 57.528 55.803 0.457 0.000 0.850 139 Q CB -0.292 28.809 28.738 0.606 0.000 0.901 139 Q HN 0.498 nan 8.270 nan 0.000 0.429 140 L N -0.066 121.331 121.223 0.290 0.000 2.156 140 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 140 L C 2.531 179.485 176.870 0.140 0.000 1.095 140 L CA 0.677 55.627 54.840 0.185 0.000 0.770 140 L CB -0.218 41.880 42.059 0.065 0.000 0.914 140 L HN 0.095 nan 8.230 nan 0.000 0.439 141 R N 0.778 121.350 120.500 0.120 0.000 2.083 141 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 141 R C 2.268 178.594 176.300 0.043 0.000 1.137 141 R CA 1.793 57.870 56.100 -0.039 0.000 0.951 141 R CB -0.621 29.594 30.300 -0.140 0.000 0.851 141 R HN 0.303 nan 8.270 nan 0.000 0.434 142 A N 0.554 123.472 122.820 0.163 0.000 1.883 142 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 142 A C 2.151 179.825 177.584 0.150 0.000 1.186 142 A CA 1.691 53.829 52.037 0.168 0.000 0.624 142 A CB -0.857 18.281 19.000 0.230 0.000 0.822 142 A HN 0.413 nan 8.150 nan 0.000 0.444 143 L N 0.227 121.561 121.223 0.184 0.000 1.994 143 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 143 L C 2.820 179.763 176.870 0.121 0.000 1.071 143 L CA 3.042 57.982 54.840 0.168 0.000 0.745 143 L CB -0.789 41.412 42.059 0.236 0.000 0.892 143 L HN 0.574 nan 8.230 nan 0.000 0.431 144 T N -3.973 110.647 114.554 0.111 0.000 2.904 144 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 144 T C 1.700 176.418 174.700 0.030 0.000 1.059 144 T CA 1.253 63.401 62.100 0.079 0.000 1.137 144 T CB -0.515 68.388 68.868 0.057 0.000 0.879 144 T HN 0.485 nan 8.240 nan 0.000 0.467 145 E N 1.199 121.404 120.200 0.009 0.000 2.072 145 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 145 E C 2.439 179.058 176.600 0.031 0.000 0.982 145 E CA 1.138 57.536 56.400 -0.003 0.000 0.803 145 E CB -0.061 29.629 29.700 -0.017 0.000 0.755 145 E HN 0.672 nan 8.360 nan 0.000 0.453 146 Q N -0.373 119.462 119.800 0.058 0.000 2.391 146 Q HA 0.039 4.379 4.340 -0.000 0.000 0.211 146 Q C 0.474 176.516 176.000 0.069 0.000 0.908 146 Q CA 0.342 56.190 55.803 0.074 0.000 0.920 146 Q CB 0.625 29.429 28.738 0.110 0.000 1.056 146 Q HN -0.022 nan 8.270 nan 0.000 0.523 147 Q N 0.084 119.922 119.800 0.062 0.000 2.470 147 Q HA 0.126 4.466 4.340 -0.000 0.000 0.389 147 Q C -1.985 174.046 176.000 0.052 0.000 0.888 147 Q CA -1.378 54.453 55.803 0.048 0.000 1.106 147 Q CB 1.056 29.810 28.738 0.028 0.000 1.368 147 Q HN 0.077 nan 8.270 nan 0.000 0.403 148 P HA -0.233 nan 4.420 nan 0.000 0.219 148 P C 0.882 178.218 177.300 0.060 0.000 1.146 148 P CA 1.204 64.335 63.100 0.052 0.000 0.808 148 P CB 0.412 32.133 31.700 0.035 0.000 0.779 149 E N 0.974 121.209 120.200 0.058 0.000 2.204 149 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 149 E C 2.012 178.693 176.600 0.134 0.000 0.990 149 E CA 0.895 57.342 56.400 0.079 0.000 0.821 149 E CB -1.371 28.365 29.700 0.061 0.000 0.750 149 E HN 0.317 nan 8.360 nan 0.000 0.477 150 L N 0.359 121.641 121.223 0.097 0.000 2.217 150 L HA -0.006 4.334 4.340 -0.000 0.000 0.211 150 L C 2.687 179.640 176.870 0.139 0.000 1.107 150 L CA 0.510 55.416 54.840 0.110 0.000 0.783 150 L CB -0.404 41.663 42.059 0.013 0.000 0.919 150 L HN 0.031 nan 8.230 nan 0.000 0.442 151 I N 0.480 121.114 120.570 0.108 0.000 2.163 151 I HA -0.223 3.947 4.170 -0.000 0.000 0.243 151 I C -0.244 175.922 176.117 0.081 0.000 1.085 151 I CA 1.517 62.891 61.300 0.124 0.000 1.347 151 I CB -1.417 36.683 38.000 0.167 0.000 1.044 151 I HN 0.216 nan 8.210 nan 0.000 0.408 152 P HA -0.151 nan 4.420 nan 0.000 0.219 152 P C 1.090 178.255 177.300 -0.224 0.000 1.146 152 P CA 1.565 64.587 63.100 -0.131 0.000 0.808 152 P CB -0.159 31.387 31.700 -0.257 0.000 0.779 153 H N -1.555 117.482 119.070 -0.055 0.000 2.502 153 H HA 0.109 4.665 4.556 -0.000 0.000 0.283 153 H C 0.771 175.998 175.328 -0.168 0.000 1.015 153 H CA 0.050 56.044 56.048 -0.089 0.000 1.298 153 H CB -0.655 29.058 29.762 -0.082 0.000 1.411 153 H HN 0.130 nan 8.280 nan 0.000 0.556 154 I N 1.188 121.655 120.570 -0.172 0.000 2.505 154 I HA 0.017 4.186 4.170 -0.000 0.000 0.287 154 I C 1.010 176.825 176.117 -0.504 0.000 1.104 154 I CA -0.139 60.866 61.300 -0.491 0.000 1.387 154 I CB 1.267 38.635 38.000 -1.054 0.000 1.404 154 I HN 0.261 nan 8.210 nan 0.000 0.528 155 A N 6.281 128.830 122.820 -0.451 0.000 2.014 155 A HA 0.183 4.503 4.320 -0.000 0.000 0.210 155 A C 0.663 177.730 177.584 -0.861 0.000 1.188 155 A CA 0.778 52.494 52.037 -0.534 0.000 0.731 155 A CB 0.205 18.973 19.000 -0.386 0.000 0.858 155 A HN 0.712 nan 8.150 nan 0.000 0.464 156 H N -1.745 117.109 119.070 -0.359 0.000 3.046 156 H HA 0.577 5.133 4.556 -0.000 0.000 0.363 156 H C -1.151 173.952 175.328 -0.375 0.000 1.203 156 H CA -0.290 55.604 56.048 -0.256 0.000 1.169 156 H CB 1.665 31.389 29.762 -0.063 0.000 1.851 156 H HN 0.258 nan 8.280 nan 0.000 0.546 157 A N 3.476 126.137 122.820 -0.265 0.000 2.287 157 A HA 0.590 4.909 4.320 -0.000 0.000 0.317 157 A C -0.602 177.019 177.584 0.061 0.000 1.220 157 A CA -0.620 51.290 52.037 -0.211 0.000 0.835 157 A CB 0.479 19.230 19.000 -0.416 0.000 1.180 157 A HN 0.494 nan 8.150 nan 0.000 0.500 158 L N 3.661 124.912 121.223 0.047 0.000 2.307 158 L HA 0.411 4.751 4.340 -0.000 0.000 0.284 158 L C 0.062 177.000 176.870 0.113 0.000 1.023 158 L CA -0.567 54.267 54.840 -0.010 0.000 0.810 158 L CB 1.432 43.392 42.059 -0.166 0.000 1.231 158 L HN 0.667 nan 8.230 nan 0.000 0.423 162 D N -0.557 119.810 120.400 -0.056 0.000 2.219 162 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 162 D C 1.580 177.811 176.300 -0.116 0.000 0.970 162 D CA 0.915 54.842 54.000 -0.122 0.000 0.851 162 D CB -0.035 40.622 40.800 -0.238 0.000 0.943 162 D HN 0.311 nan 8.370 nan 0.000 0.488 163 Y N 1.186 121.350 120.300 -0.227 0.000 2.070 163 Y HA -0.288 4.262 4.550 -0.000 0.000 0.280 163 Y C 1.975 177.743 175.900 -0.219 0.000 1.148 163 Y CA 1.588 59.523 58.100 -0.274 0.000 1.125 163 Y CB -0.716 37.474 38.460 -0.450 0.000 0.975 163 Y HN -0.178 nan 8.280 nan 0.000 0.492 164 F N -0.253 119.551 119.950 -0.242 0.000 2.216 164 F HA -0.166 4.361 4.527 -0.000 0.000 0.300 164 F C 2.671 178.320 175.800 -0.252 0.000 1.085 164 F CA 1.555 59.370 58.000 -0.308 0.000 1.326 164 F CB -1.095 37.816 39.000 -0.147 0.000 1.027 164 F HN -0.029 nan 8.300 nan 0.000 0.497 165 S N -0.993 114.691 115.700 -0.027 0.000 2.382 165 S HA -0.233 4.237 4.470 -0.000 0.000 0.228 165 S C 1.875 176.435 174.600 -0.067 0.000 1.027 165 S CA 1.130 59.297 58.200 -0.054 0.000 0.991 165 S CB -0.633 62.534 63.200 -0.055 0.000 0.823 165 S HN 0.510 nan 8.310 nan 0.000 0.469 166 Y N 2.728 122.892 120.300 -0.227 0.000 2.163 166 Y HA -0.050 4.500 4.550 -0.000 0.000 0.288 166 Y C 2.177 177.950 175.900 -0.211 0.000 1.136 166 Y CA 1.353 59.316 58.100 -0.228 0.000 1.147 166 Y CB -0.240 38.051 38.460 -0.282 0.000 0.987 166 Y HN -0.002 nan 8.280 nan 0.000 0.509 167 R N 0.369 120.578 120.500 -0.486 0.000 2.193 167 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 167 R C 2.139 178.287 176.300 -0.254 0.000 1.110 167 R CA 1.231 57.042 56.100 -0.482 0.000 0.988 167 R CB -0.701 29.342 30.300 -0.427 0.000 0.871 167 R HN 0.463 nan 8.270 nan 0.000 0.458 168 L N -0.388 120.740 121.223 -0.158 0.000 2.168 168 L HA -0.021 4.319 4.340 -0.000 0.000 0.203 168 L C 2.198 179.122 176.870 0.089 0.000 1.078 168 L CA 1.550 56.399 54.840 0.014 0.000 0.780 168 L CB -0.362 41.647 42.059 -0.083 0.000 0.939 168 L HN 0.228 nan 8.230 nan 0.000 0.451 169 T N -4.755 109.780 114.554 -0.031 0.000 3.015 169 T HA 0.219 4.568 4.350 -0.000 0.000 0.250 169 T C 1.484 176.152 174.700 -0.052 0.000 1.057 169 T CA 0.579 62.683 62.100 0.007 0.000 1.066 169 T CB 0.758 69.633 68.868 0.013 0.000 0.959 169 T HN 0.376 nan 8.240 nan 0.000 0.488 170 G N 1.656 110.335 108.800 -0.201 0.000 2.148 170 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.254 170 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.254 170 G C 0.055 175.001 174.900 0.076 0.000 0.981 170 G CA 0.427 45.409 45.100 -0.197 0.000 0.670 170 G HN 0.637 nan 8.290 nan 0.000 0.528 174 W N 2.594 123.968 121.300 0.124 0.000 2.485 174 W HA 0.238 4.898 4.660 -0.000 0.000 0.297 174 W C 0.170 176.754 176.519 0.109 0.000 0.999 174 W CA -0.406 57.055 57.345 0.193 0.000 1.512 174 W CB 1.061 30.742 29.460 0.368 0.000 1.322 174 W HN 0.413 nan 8.180 nan 0.000 0.419 175 E N 2.100 122.404 120.200 0.173 0.000 2.316 175 E HA -0.078 4.271 4.350 -0.000 0.000 0.275 175 E C 0.643 177.278 176.600 0.058 0.000 1.029 175 E CA 0.010 56.466 56.400 0.094 0.000 0.871 175 E CB 1.116 30.839 29.700 0.039 0.000 1.022 175 E HN 0.495 nan 8.360 nan 0.000 0.418 176 Y N 4.536 124.765 120.300 -0.119 0.000 2.097 176 Y HA -0.328 4.222 4.550 -0.000 0.000 0.282 176 Y C 2.307 178.116 175.900 -0.151 0.000 1.152 176 Y CA 3.074 61.036 58.100 -0.231 0.000 1.136 176 Y CB -0.585 37.614 38.460 -0.435 0.000 0.975 176 Y HN 0.641 nan 8.280 nan 0.000 0.498 177 T N -1.436 112.945 114.554 -0.289 0.000 2.684 177 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 177 T C 1.861 176.400 174.700 -0.268 0.000 1.036 177 T CA 1.812 63.705 62.100 -0.344 0.000 1.148 177 T CB -0.820 68.010 68.868 -0.064 0.000 0.863 177 T HN 0.384 nan 8.240 nan 0.000 0.436 178 N N 1.865 120.478 118.700 -0.144 0.000 2.270 178 N HA 0.167 4.907 4.740 -0.000 0.000 0.181 178 N C 2.139 177.558 175.510 -0.152 0.000 1.016 178 N CA 1.271 54.231 53.050 -0.151 0.000 0.870 178 N CB -0.733 37.723 38.487 -0.053 0.000 0.979 178 N HN 0.581 nan 8.380 nan 0.000 0.431 179 A N -0.207 122.536 122.820 -0.127 0.000 1.940 179 A HA -0.192 4.127 4.320 -0.000 0.000 0.219 179 A C 2.264 179.703 177.584 -0.242 0.000 1.176 179 A CA 2.492 54.465 52.037 -0.106 0.000 0.631 179 A CB -1.529 17.288 19.000 -0.304 0.000 0.814 179 A HN 0.575 nan 8.150 nan 0.000 0.446 180 T N -1.849 112.471 114.554 -0.391 0.000 2.849 180 T HA -0.190 4.159 4.350 -0.000 0.000 0.270 180 T C 1.750 176.302 174.700 -0.246 0.000 1.066 180 T CA 2.214 64.101 62.100 -0.355 0.000 1.130 180 T CB -1.440 67.170 68.868 -0.429 0.000 0.864 180 T HN 0.710 nan 8.240 nan 0.000 0.481 181 T N 0.493 114.892 114.554 -0.258 0.000 3.051 181 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 181 T C 2.023 176.644 174.700 -0.132 0.000 1.127 181 T CA 1.425 63.379 62.100 -0.244 0.000 1.107 181 T CB -1.181 67.445 68.868 -0.403 0.000 0.898 181 T HN 0.679 nan 8.240 nan 0.000 0.517 182 T N -1.268 113.243 114.554 -0.071 0.000 3.055 182 T HA 0.049 4.399 4.350 -0.000 0.000 0.265 182 T C 1.204 175.855 174.700 -0.083 0.000 1.111 182 T CA 0.797 62.897 62.100 0.000 0.000 1.118 182 T CB -0.660 68.286 68.868 0.129 0.000 0.909 182 T HN 0.535 nan 8.240 nan 0.000 0.501 183 Q N -0.260 119.459 119.800 -0.135 0.000 2.481 183 Q HA -0.149 4.191 4.340 -0.000 0.000 0.272 183 Q C 0.274 176.190 176.000 -0.140 0.000 1.157 183 Q CA 0.576 56.267 55.803 -0.186 0.000 0.935 183 Q CB -1.648 26.925 28.738 -0.274 0.000 1.338 183 Q HN 0.711 nan 8.270 nan 0.000 0.494 184 L N -1.341 119.850 121.223 -0.054 0.000 2.920 184 L HA 0.275 4.615 4.340 -0.000 0.000 0.257 184 L C -0.025 176.873 176.870 0.046 0.000 1.150 184 L CA -0.182 54.674 54.840 0.027 0.000 0.959 184 L CB 1.215 43.330 42.059 0.094 0.000 1.321 184 L HN -0.033 nan 8.230 nan 0.000 0.555 185 V N 1.194 121.044 119.914 -0.106 0.000 2.432 185 V HA 0.143 4.263 4.120 -0.000 0.000 0.275 185 V C 0.368 176.371 176.094 -0.152 0.000 1.043 185 V CA -0.658 61.500 62.300 -0.236 0.000 0.925 185 V CB 1.293 32.869 31.823 -0.413 0.000 0.985 185 V HN 0.221 nan 8.190 nan 0.000 0.466 186 N N 3.551 122.178 118.700 -0.122 0.000 2.440 186 N HA 0.043 4.783 4.740 -0.000 0.000 0.265 186 N C 0.983 176.449 175.510 -0.073 0.000 1.239 186 N CA 0.108 53.104 53.050 -0.091 0.000 0.909 186 N CB 1.004 39.450 38.487 -0.068 0.000 1.066 186 N HN 0.783 nan 8.380 nan 0.000 0.474 187 I N 4.067 124.592 120.570 -0.074 0.000 2.756 187 I HA -0.214 3.956 4.170 -0.000 0.000 0.262 187 I C 1.096 177.214 176.117 0.002 0.000 1.225 187 I CA 1.157 62.440 61.300 -0.029 0.000 1.472 187 I CB 0.069 38.000 38.000 -0.114 0.000 1.094 187 I HN 0.602 nan 8.210 nan 0.000 0.454 188 N N -1.057 117.624 118.700 -0.031 0.000 2.405 188 N HA -0.053 4.687 4.740 -0.000 0.000 0.175 188 N C 1.530 177.030 175.510 -0.018 0.000 1.051 188 N CA 0.856 53.892 53.050 -0.023 0.000 0.899 188 N CB 0.266 38.729 38.487 -0.039 0.000 1.000 188 N HN 0.285 nan 8.380 nan 0.000 0.451 189 S N -0.720 114.962 115.700 -0.030 0.000 2.540 189 S HA 0.111 4.581 4.470 -0.000 0.000 0.222 189 S C 0.056 174.621 174.600 -0.058 0.000 1.008 189 S CA -0.222 57.953 58.200 -0.042 0.000 0.939 189 S CB 0.361 63.531 63.200 -0.049 0.000 0.865 189 S HN -0.028 nan 8.310 nan 0.000 0.499 190 D N 1.510 121.883 120.400 -0.045 0.000 2.931 190 D HA -0.135 4.505 4.640 -0.000 0.000 0.228 190 D C -0.400 175.783 176.300 -0.195 0.000 1.180 190 D CA 1.690 55.652 54.000 -0.063 0.000 0.784 190 D CB -1.170 39.566 40.800 -0.107 0.000 1.093 190 D HN 0.585 nan 8.370 nan 0.000 0.421 191 D N -1.728 118.541 120.400 -0.218 0.000 2.450 191 D HA 0.370 5.010 4.640 -0.000 0.000 0.238 191 D C -0.384 175.722 176.300 -0.323 0.000 1.020 191 D CA -0.768 53.042 54.000 -0.315 0.000 1.010 191 D CB 0.601 41.315 40.800 -0.143 0.000 1.342 191 D HN -0.053 nan 8.370 nan 0.000 0.530 192 W N 1.304 122.515 121.300 -0.148 0.000 2.295 192 W HA 0.096 4.756 4.660 -0.000 0.000 0.335 192 W C 0.989 177.412 176.519 -0.160 0.000 1.351 192 W CA -0.250 56.967 57.345 -0.212 0.000 1.273 192 W CB 0.257 29.526 29.460 -0.317 0.000 1.214 192 W HN 0.101 nan 8.180 nan 0.000 0.563 193 D N 3.777 124.221 120.400 0.073 0.000 2.295 193 D HA -0.020 4.620 4.640 -0.000 0.000 0.248 193 D C 0.947 177.254 176.300 0.012 0.000 1.154 193 D CA 0.016 54.024 54.000 0.014 0.000 0.857 193 D CB 1.068 41.859 40.800 -0.015 0.000 1.117 193 D HN 0.483 nan 8.370 nan 0.000 0.468 194 E N 1.950 122.151 120.200 0.002 0.000 2.077 194 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 194 E C 1.903 178.500 176.600 -0.006 0.000 0.989 194 E CA 1.063 57.455 56.400 -0.013 0.000 0.800 194 E CB -0.099 29.593 29.700 -0.014 0.000 0.746 194 E HN 0.599 nan 8.360 nan 0.000 0.452 195 S N 1.010 116.715 115.700 0.008 0.000 2.383 195 S HA -0.071 4.399 4.470 -0.000 0.000 0.227 195 S C 2.241 176.879 174.600 0.063 0.000 1.026 195 S CA 0.636 58.855 58.200 0.032 0.000 0.981 195 S CB -0.532 62.683 63.200 0.025 0.000 0.818 195 S HN 0.152 nan 8.310 nan 0.000 0.472 196 L N 0.607 121.854 121.223 0.039 0.000 2.072 196 L HA 0.066 4.406 4.340 -0.000 0.000 0.205 196 L C 2.697 179.612 176.870 0.075 0.000 1.079 196 L CA 0.886 55.762 54.840 0.060 0.000 0.752 196 L CB -0.660 41.398 42.059 -0.000 0.000 0.906 196 L HN 0.289 nan 8.230 nan 0.000 0.436 197 L N -0.061 121.158 121.223 -0.007 0.000 2.042 197 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 197 L C 2.948 179.789 176.870 -0.049 0.000 1.076 197 L CA 1.268 56.061 54.840 -0.078 0.000 0.749 197 L CB -0.747 41.214 42.059 -0.163 0.000 0.893 197 L HN 0.260 nan 8.230 nan 0.000 0.432 198 A N -0.505 122.308 122.820 -0.012 0.000 1.873 198 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 198 A C 2.011 179.623 177.584 0.048 0.000 1.193 198 A CA 2.016 54.049 52.037 -0.006 0.000 0.629 198 A CB -1.275 17.736 19.000 0.018 0.000 0.826 198 A HN 0.634 nan 8.150 nan 0.000 0.447 199 W N 1.622 122.901 121.300 -0.034 0.000 2.338 199 W HA -0.251 4.409 4.660 -0.000 0.000 0.304 199 W C 2.748 179.269 176.519 0.003 0.000 1.212 199 W CA 2.862 60.207 57.345 -0.001 0.000 1.264 199 W CB -0.234 29.244 29.460 0.029 0.000 1.142 199 W HN 0.442 nan 8.180 nan 0.000 0.512 200 S N -0.266 115.537 115.700 0.171 0.000 2.442 200 S HA 0.031 4.501 4.470 -0.000 0.000 0.236 200 S C 1.843 176.364 174.600 -0.131 0.000 1.007 200 S CA 1.450 59.659 58.200 0.015 0.000 0.965 200 S CB -0.815 62.436 63.200 0.084 0.000 0.773 200 S HN 1.006 nan 8.310 nan 0.000 0.504 201 G N 0.664 109.370 108.800 -0.157 0.000 2.179 201 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.260 201 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.260 201 G C 0.276 175.015 174.900 -0.267 0.000 0.977 201 G CA 0.161 45.156 45.100 -0.175 0.000 0.641 201 G HN 1.354 nan 8.290 nan 0.000 0.533 202 A N -0.180 122.455 122.820 -0.307 0.000 2.332 202 A HA 0.649 4.969 4.320 -0.000 0.000 0.258 202 A C 0.314 177.407 177.584 -0.819 0.000 1.087 202 A CA 0.565 52.188 52.037 -0.690 0.000 0.802 202 A CB 0.498 19.376 19.000 -0.203 0.000 1.042 202 A HN 1.103 nan 8.150 nan 0.000 0.489 203 N N 0.035 117.855 118.700 -1.467 0.000 2.400 203 N HA 0.199 4.939 4.740 -0.000 0.000 0.288 203 N C 0.955 176.121 175.510 -0.572 0.000 1.024 203 N CA -0.667 51.792 53.050 -0.985 0.000 0.894 203 N CB 1.116 38.932 38.487 -1.117 0.000 1.173 203 N HN 0.484 nan 8.380 nan 0.000 0.487 204 K N 2.330 122.545 120.400 -0.308 0.000 2.160 204 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 204 K C 1.278 177.813 176.600 -0.108 0.000 1.047 204 K CA 1.478 57.669 56.287 -0.160 0.000 0.930 204 K CB -0.797 31.629 32.500 -0.124 0.000 0.720 204 K HN 0.534 nan 8.250 nan 0.000 0.450 205 A N 0.876 123.602 122.820 -0.157 0.000 2.172 205 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 205 A C 1.383 178.947 177.584 -0.033 0.000 1.154 205 A CA 0.480 52.464 52.037 -0.089 0.000 0.701 205 A CB -0.739 18.220 19.000 -0.069 0.000 0.789 205 A HN 0.376 nan 8.150 nan 0.000 0.465 206 W N -1.132 119.961 121.300 -0.345 0.000 2.699 206 W HA 0.213 4.873 4.660 -0.000 0.000 0.249 206 W C 0.158 176.184 176.519 -0.821 0.000 1.280 206 W CA -0.192 56.791 57.345 -0.604 0.000 1.345 206 W CB -0.966 27.983 29.460 -0.853 0.000 1.128 206 W HN 0.238 nan 8.180 nan 0.000 0.642 207 F N -0.790 118.930 119.950 -0.385 0.000 2.697 207 F HA 0.784 5.311 4.527 -0.000 0.000 0.386 207 F C 1.054 175.928 175.800 -1.542 0.000 1.154 207 F CA -1.071 56.258 58.000 -1.119 0.000 1.108 207 F CB 0.150 38.371 39.000 -1.299 0.000 1.429 207 F HN -0.329 nan 8.300 nan 0.000 0.509 208 G N -0.544 107.264 108.800 -1.653 0.000 2.680 208 G HA2 0.484 4.444 3.960 -0.000 0.000 0.290 208 G HA3 0.484 4.444 3.960 -0.000 0.000 0.290 208 G C -1.739 173.179 174.900 0.030 0.000 1.355 208 G CA -1.159 43.550 45.100 -0.651 0.000 0.903 208 G HN 0.566 nan 8.290 nan 0.000 0.474 209 R N 0.725 121.271 120.500 0.078 0.000 2.502 209 R HA 0.158 4.498 4.340 -0.000 0.000 0.292 209 R C -2.163 174.178 176.300 0.068 0.000 0.998 209 R CA -0.701 55.433 56.100 0.058 0.000 1.056 209 R CB 0.185 30.498 30.300 0.021 0.000 0.939 209 R HN 0.143 nan 8.270 nan 0.000 0.411 210 P HA 0.033 nan 4.420 nan 0.000 0.268 210 P C -1.100 176.157 177.300 -0.070 0.000 1.205 210 P CA 0.141 63.209 63.100 -0.052 0.000 0.771 210 P CB 0.976 32.511 31.700 -0.276 0.000 0.858 211 T N -0.586 113.968 114.554 0.000 0.000 2.824 211 T HA 0.412 4.762 4.350 -0.000 0.000 0.282 211 T C -0.244 174.415 174.700 -0.068 0.000 0.993 211 T CA -0.842 61.242 62.100 -0.027 0.000 0.967 211 T CB 0.219 69.131 68.868 0.074 0.000 0.960 211 T HN 0.271 nan 8.240 nan 0.000 0.441 212 H N 2.951 122.007 119.070 -0.023 0.000 2.852 212 H HA 0.300 4.855 4.556 -0.000 0.000 0.362 212 H C -1.927 173.401 175.328 0.001 0.000 1.122 212 H CA -0.582 55.443 56.048 -0.038 0.000 1.419 212 H CB 0.240 29.910 29.762 -0.153 0.000 1.401 212 H HN 0.464 nan 8.280 nan 0.000 0.609 213 P HA 0.059 nan 4.420 nan 0.000 0.269 213 P C 0.787 178.101 177.300 0.023 0.000 1.215 213 P CA 0.570 63.703 63.100 0.054 0.000 0.780 213 P CB 0.863 32.583 31.700 0.033 0.000 0.898 214 G N 0.636 109.433 108.800 -0.005 0.000 2.336 214 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.194 214 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.194 214 G C 0.122 175.012 174.900 -0.018 0.000 0.999 214 G CA -0.256 44.830 45.100 -0.023 0.000 0.669 214 G HN 0.810 nan 8.290 nan 0.000 0.482 215 N N 0.999 119.697 118.700 -0.003 0.000 2.508 215 N HA 0.339 5.079 4.740 -0.000 0.000 0.264 215 N C 0.099 175.594 175.510 -0.025 0.000 1.216 215 N CA 0.118 53.166 53.050 -0.003 0.000 0.943 215 N CB 1.702 40.199 38.487 0.017 0.000 1.113 215 N HN 0.219 nan 8.380 nan 0.000 0.447 216 V N 2.909 122.803 119.914 -0.034 0.000 2.405 216 V HA 0.076 4.196 4.120 -0.000 0.000 0.264 216 V C 1.876 177.930 176.094 -0.067 0.000 1.048 216 V CA -0.489 61.764 62.300 -0.078 0.000 0.966 216 V CB -0.147 31.614 31.823 -0.103 0.000 1.015 216 V HN 0.654 nan 8.190 nan 0.000 0.477 217 I N 3.262 123.787 120.570 -0.074 0.000 2.142 217 I HA 0.072 4.242 4.170 -0.000 0.000 0.240 217 I C 1.413 177.501 176.117 -0.048 0.000 1.078 217 I CA 1.790 63.061 61.300 -0.049 0.000 1.343 217 I CB -0.111 37.858 38.000 -0.053 0.000 1.046 217 I HN 0.799 nan 8.210 nan 0.000 0.405 218 G N -1.808 106.925 108.800 -0.112 0.000 2.435 218 G HA2 0.381 4.341 3.960 -0.000 0.000 0.296 218 G HA3 0.381 4.341 3.960 -0.000 0.000 0.296 218 G C -1.737 172.994 174.900 -0.282 0.000 1.240 218 G CA -0.620 44.433 45.100 -0.078 0.000 0.872 218 G HN 0.167 nan 8.290 nan 0.000 0.480 219 H N -1.692 117.407 119.070 0.049 0.000 2.690 219 H HA 0.619 5.175 4.556 -0.000 0.000 0.368 219 H C -1.440 173.969 175.328 0.135 0.000 1.150 219 H CA -0.330 55.763 56.048 0.074 0.000 1.174 219 H CB 2.336 32.116 29.762 0.031 0.000 1.684 219 H HN 0.658 nan 8.280 nan 0.000 0.538 220 W N 3.600 124.937 121.300 0.062 0.000 2.647 220 W HA 0.606 5.266 4.660 -0.000 0.000 0.353 220 W C -1.492 175.043 176.519 0.027 0.000 1.080 220 W CA -0.810 56.546 57.345 0.018 0.000 1.208 220 W CB 1.100 30.552 29.460 -0.014 0.000 1.396 220 W HN 0.359 nan 8.180 nan 0.000 0.573 221 I N 5.061 124.987 120.570 -1.073 0.000 2.411 221 I HA 0.146 4.316 4.170 -0.000 0.000 0.284 221 I C -0.349 174.947 176.117 -1.369 0.000 1.012 221 I CA -0.955 59.818 61.300 -0.879 0.000 1.119 221 I CB 0.434 38.128 38.000 -0.510 0.000 1.261 221 I HN 0.322 nan 8.210 nan 0.000 0.448 222 c N 8.562 126.632 118.600 -0.883 0.000 2.642 222 c HA 0.076 4.646 4.570 -0.000 0.000 0.420 222 c C -0.568 173.298 174.090 -0.375 0.000 1.349 222 c CA -0.443 55.545 56.329 -0.568 0.000 1.821 222 c CB 0.007 42.422 42.510 -0.158 0.000 2.637 222 c HN 0.572 nan 8.230 nan 0.000 0.605 223 P HA -0.203 nan 4.420 nan 0.000 0.224 223 P C 1.445 178.670 177.300 -0.126 0.000 1.138 223 P CA 1.276 64.276 63.100 -0.166 0.000 0.780 223 P CB -0.065 31.584 31.700 -0.085 0.000 0.755 224 Q N -1.244 118.484 119.800 -0.120 0.000 2.226 224 Q HA 0.063 4.403 4.340 -0.000 0.000 0.199 224 Q C 1.307 177.244 176.000 -0.106 0.000 0.945 224 Q CA 1.948 57.697 55.803 -0.090 0.000 0.861 224 Q CB -0.650 28.052 28.738 -0.061 0.000 0.953 224 Q HN 0.204 nan 8.270 nan 0.000 0.490 225 G N 1.532 110.247 108.800 -0.141 0.000 2.155 225 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.130 225 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.130 225 G C -0.558 174.268 174.900 -0.123 0.000 1.027 225 G CA -0.132 44.879 45.100 -0.149 0.000 0.705 225 G HN 0.346 nan 8.290 nan 0.000 0.496 226 N N 1.359 119.997 118.700 -0.104 0.000 2.472 226 N HA 0.318 5.058 4.740 -0.000 0.000 0.277 226 N C 0.150 175.624 175.510 -0.061 0.000 1.081 226 N CA -0.100 52.908 53.050 -0.071 0.000 0.973 226 N CB 0.638 39.102 38.487 -0.038 0.000 1.105 226 N HN 0.419 nan 8.380 nan 0.000 0.470 227 E N 2.887 123.057 120.200 -0.049 0.000 2.265 227 E HA 0.113 4.463 4.350 -0.000 0.000 0.272 227 E C -0.176 176.510 176.600 0.143 0.000 1.067 227 E CA 0.192 56.593 56.400 0.003 0.000 0.900 227 E CB 0.706 30.318 29.700 -0.147 0.000 1.017 227 E HN 0.480 nan 8.360 nan 0.000 0.431 228 I N 6.266 126.961 120.570 0.209 0.000 2.321 228 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 228 I C -2.101 174.145 176.117 0.214 0.000 0.998 228 I CA -2.642 58.797 61.300 0.231 0.000 1.227 228 I CB 1.082 39.241 38.000 0.265 0.000 1.368 228 I HN 0.202 nan 8.210 nan 0.000 0.466 229 P HA 0.038 nan 4.420 nan 0.000 0.267 229 P C -0.454 176.782 177.300 -0.106 0.000 1.205 229 P CA -0.018 62.970 63.100 -0.187 0.000 0.765 229 P CB 0.771 32.403 31.700 -0.114 0.000 0.828 230 V N 5.403 125.224 119.914 -0.154 0.000 2.364 230 V HA 0.146 4.266 4.120 -0.000 0.000 0.272 230 V C 0.594 176.626 176.094 -0.104 0.000 1.036 230 V CA -0.533 61.713 62.300 -0.090 0.000 0.880 230 V CB 1.473 33.262 31.823 -0.057 0.000 0.991 230 V HN 0.266 nan 8.190 nan 0.000 0.460 231 V N 4.190 124.056 119.914 -0.081 0.000 2.539 231 V HA 0.600 4.720 4.120 -0.000 0.000 0.292 231 V C 0.699 176.758 176.094 -0.059 0.000 1.045 231 V CA -0.621 61.636 62.300 -0.071 0.000 0.945 231 V CB 1.797 33.580 31.823 -0.067 0.000 0.993 231 V HN 0.942 nan 8.190 nan 0.000 0.464 232 A N 5.009 127.802 122.820 -0.045 0.000 2.395 232 A HA 0.567 4.887 4.320 -0.000 0.000 0.286 232 A C 0.121 177.686 177.584 -0.031 0.000 1.193 232 A CA -0.192 51.826 52.037 -0.031 0.000 0.852 232 A CB 0.011 19.005 19.000 -0.011 0.000 1.118 232 A HN 1.101 nan 8.150 nan 0.000 0.524 233 V N 0.447 120.337 119.914 -0.039 0.000 3.561 233 V HA 0.814 4.934 4.120 -0.000 0.000 0.290 233 V C 0.829 176.906 176.094 -0.028 0.000 1.052 233 V CA -0.483 61.788 62.300 -0.050 0.000 0.973 233 V CB 0.793 32.573 31.823 -0.072 0.000 1.243 233 V HN 1.316 nan 8.190 nan 0.000 0.432 234 A N 1.007 123.805 122.820 -0.038 0.000 2.785 234 A HA 0.412 4.732 4.320 -0.000 0.000 0.294 234 A C 1.470 179.043 177.584 -0.017 0.000 1.597 234 A CA 0.414 52.441 52.037 -0.017 0.000 1.283 234 A CB -0.910 18.070 19.000 -0.034 0.000 1.088 234 A HN 1.500 nan 8.150 nan 0.000 0.568 235 S N 1.387 117.087 115.700 0.000 0.000 2.489 235 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 235 S C 0.801 175.422 174.600 0.035 0.000 0.995 235 S CA 0.514 58.713 58.200 -0.002 0.000 0.934 235 S CB -0.576 62.619 63.200 -0.010 0.000 0.771 235 S HN 0.818 nan 8.310 nan 0.000 0.522 236 H N 2.630 121.654 119.070 -0.076 0.000 2.975 236 H HA 0.044 4.600 4.556 -0.000 0.000 0.303 236 H C 0.959 176.253 175.328 -0.057 0.000 1.023 236 H CA 0.167 56.169 56.048 -0.076 0.000 1.473 236 H CB 0.634 30.341 29.762 -0.092 0.000 1.498 236 H HN 0.408 nan 8.280 nan 0.000 0.549 237 D N 3.137 123.503 120.400 -0.057 0.000 2.149 237 D HA -0.219 4.421 4.640 -0.000 0.000 0.194 237 D C 1.489 177.614 176.300 -0.292 0.000 1.001 237 D CA 1.964 55.886 54.000 -0.130 0.000 0.849 237 D CB -0.672 40.132 40.800 0.006 0.000 0.939 237 D HN 0.528 nan 8.370 nan 0.000 0.449 238 T N 0.103 114.272 114.554 -0.641 0.000 2.821 238 T HA 0.032 4.382 4.350 -0.000 0.000 0.267 238 T C 2.114 176.557 174.700 -0.428 0.000 1.046 238 T CA 1.644 63.428 62.100 -0.527 0.000 1.139 238 T CB -0.479 68.016 68.868 -0.622 0.000 0.871 238 T HN 0.438 nan 8.240 nan 0.000 0.454 239 A N 1.370 123.929 122.820 -0.435 0.000 1.902 239 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 239 A C 2.627 180.110 177.584 -0.168 0.000 1.181 239 A CA 1.935 53.848 52.037 -0.207 0.000 0.623 239 A CB -0.918 18.037 19.000 -0.076 0.000 0.818 239 A HN 0.427 nan 8.150 nan 0.000 0.443 240 S N -0.403 115.207 115.700 -0.150 0.000 2.368 240 S HA -0.029 4.441 4.470 -0.000 0.000 0.225 240 S C 2.303 176.845 174.600 -0.096 0.000 1.030 240 S CA 1.176 59.313 58.200 -0.105 0.000 0.999 240 S CB -0.429 62.721 63.200 -0.083 0.000 0.844 240 S HN 0.796 nan 8.310 nan 0.000 0.459 241 A N 0.893 123.635 122.820 -0.129 0.000 1.933 241 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 241 A C 2.299 179.797 177.584 -0.144 0.000 1.175 241 A CA 1.354 53.328 52.037 -0.104 0.000 0.628 241 A CB -0.788 18.150 19.000 -0.104 0.000 0.814 241 A HN 0.349 nan 8.150 nan 0.000 0.444 242 V N 0.195 119.955 119.914 -0.257 0.000 2.343 242 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 242 V C 2.404 178.398 176.094 -0.167 0.000 1.051 242 V CA 1.968 64.049 62.300 -0.365 0.000 1.036 242 V CB -0.684 30.775 31.823 -0.607 0.000 0.654 242 V HN 0.580 nan 8.190 nan 0.000 0.451 243 I N 0.697 121.210 120.570 -0.095 0.000 2.151 243 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 243 I C 2.471 178.656 176.117 0.113 0.000 1.080 243 I CA 1.826 63.130 61.300 0.007 0.000 1.339 243 I CB -0.479 37.515 38.000 -0.010 0.000 1.039 243 I HN 0.300 nan 8.210 nan 0.000 0.409 244 A N -0.364 122.522 122.820 0.110 0.000 2.167 244 A HA 0.051 4.370 4.320 -0.000 0.000 0.214 244 A C 1.291 178.867 177.584 -0.013 0.000 1.151 244 A CA 0.201 52.316 52.037 0.132 0.000 0.735 244 A CB -0.342 18.752 19.000 0.157 0.000 0.802 244 A HN 0.322 nan 8.150 nan 0.000 0.467 245 S N 2.233 117.907 115.700 -0.043 0.000 2.516 245 S HA 0.305 4.775 4.470 -0.000 0.000 0.282 245 S C -2.415 172.076 174.600 -0.182 0.000 1.286 245 S CA -0.594 57.555 58.200 -0.085 0.000 1.066 245 S CB 0.529 63.699 63.200 -0.051 0.000 0.884 245 S HN 0.306 nan 8.310 nan 0.000 0.491 246 P HA 0.175 nan 4.420 nan 0.000 0.220 246 P C -0.589 176.414 177.300 -0.496 0.000 1.806 246 P CA -0.211 62.724 63.100 -0.276 0.000 0.976 246 P CB -0.398 31.218 31.700 -0.139 0.000 1.952 247 L N 2.104 123.095 121.223 -0.386 0.000 2.499 247 L HA 0.050 4.390 4.340 -0.000 0.000 0.273 247 L C 0.998 177.843 176.870 -0.043 0.000 1.195 247 L CA 0.152 54.847 54.840 -0.242 0.000 0.882 247 L CB -0.300 41.748 42.059 -0.019 0.000 1.133 247 L HN 0.279 nan 8.230 nan 0.000 0.483 248 N N 2.254 121.001 118.700 0.077 0.000 2.955 248 N HA 0.515 5.255 4.740 -0.000 0.000 0.242 248 N C 0.308 175.886 175.510 0.114 0.000 1.123 248 N CA -0.251 52.860 53.050 0.102 0.000 0.949 248 N CB 1.147 39.715 38.487 0.135 0.000 1.214 248 N HN 0.819 nan 8.380 nan 0.000 0.504 249 G N 1.068 109.927 108.800 0.099 0.000 2.752 249 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.234 249 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.234 249 G C 0.843 175.823 174.900 0.134 0.000 1.367 249 G CA -0.042 45.120 45.100 0.102 0.000 0.879 249 G HN 0.883 nan 8.290 nan 0.000 0.563 250 S N -0.669 115.098 115.700 0.111 0.000 2.447 250 S HA -0.033 4.437 4.470 -0.000 0.000 0.233 250 S C 1.698 176.360 174.600 0.103 0.000 1.006 250 S CA 1.555 59.824 58.200 0.115 0.000 0.957 250 S CB -0.068 63.170 63.200 0.064 0.000 0.773 250 S HN 0.769 nan 8.310 nan 0.000 0.507 251 R N 1.474 122.034 120.500 0.100 0.000 2.391 251 R HA 0.459 4.799 4.340 -0.000 0.000 0.249 251 R C 0.118 176.614 176.300 0.325 0.000 0.957 251 R CA 0.348 56.512 56.100 0.106 0.000 1.093 251 R CB -0.039 30.278 30.300 0.029 0.000 1.156 251 R HN 0.463 nan 8.270 nan 0.000 0.526 252 A N 1.113 124.143 122.820 0.350 0.000 2.304 252 A HA 0.739 5.059 4.320 -0.000 0.000 0.323 252 A C -0.249 177.512 177.584 0.296 0.000 1.195 252 A CA -0.489 51.759 52.037 0.352 0.000 0.826 252 A CB 1.135 20.345 19.000 0.350 0.000 1.184 252 A HN 0.277 nan 8.150 nan 0.000 0.496 253 A N 1.288 124.101 122.820 -0.012 0.000 2.288 253 A HA 0.874 5.194 4.320 -0.000 0.000 0.328 253 A C -0.694 176.819 177.584 -0.117 0.000 1.123 253 A CA -0.529 51.285 52.037 -0.372 0.000 0.861 253 A CB 0.645 18.960 19.000 -1.142 0.000 1.272 253 A HN 1.497 nan 8.150 nan 0.000 0.490 254 Y N -1.506 118.773 120.300 -0.035 0.000 2.509 254 Y HA 0.769 5.319 4.550 -0.000 0.000 0.341 254 Y C -1.007 174.856 175.900 -0.061 0.000 1.038 254 Y CA -2.105 55.995 58.100 -0.000 0.000 1.089 254 Y CB 1.317 39.788 38.460 0.020 0.000 1.241 254 Y HN 0.506 nan 8.280 nan 0.000 0.468 255 L N 2.572 123.878 121.223 0.139 0.000 2.415 255 L HA 0.505 4.845 4.340 -0.000 0.000 0.268 255 L C -0.784 176.135 176.870 0.081 0.000 0.984 255 L CA -0.445 54.410 54.840 0.025 0.000 0.853 255 L CB 1.530 43.462 42.059 -0.212 0.000 1.215 255 L HN 0.779 nan 8.230 nan 0.000 0.419 256 S N 3.004 118.789 115.700 0.141 0.000 2.400 256 S HA 0.445 4.915 4.470 -0.000 0.000 0.295 256 S C -0.150 174.513 174.600 0.104 0.000 1.113 256 S CA -0.117 58.137 58.200 0.090 0.000 1.064 256 S CB 0.091 63.322 63.200 0.051 0.000 0.990 256 S HN 0.722 nan 8.310 nan 0.000 0.502 257 S N 3.941 119.689 115.700 0.080 0.000 2.520 257 S HA 0.748 5.218 4.470 -0.000 0.000 0.324 257 S C 0.362 175.029 174.600 0.112 0.000 1.069 257 S CA -0.141 58.121 58.200 0.103 0.000 1.121 257 S CB 0.256 63.487 63.200 0.051 0.000 0.971 257 S HN 0.918 nan 8.310 nan 0.000 0.463 258 G N 2.443 111.338 108.800 0.159 0.000 3.265 258 G HA2 0.250 4.210 3.960 -0.000 0.000 0.171 258 G HA3 0.250 4.210 3.960 -0.000 0.000 0.171 258 G C 0.780 175.784 174.900 0.173 0.000 1.110 258 G CA 0.128 45.317 45.100 0.148 0.000 0.855 258 G HN 0.458 nan 8.290 nan 0.000 0.658 259 T N 0.223 114.891 114.554 0.189 0.000 2.665 259 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 259 T C 0.383 175.106 174.700 0.037 0.000 1.035 259 T CA 1.431 63.624 62.100 0.155 0.000 1.151 259 T CB -0.227 68.760 68.868 0.198 0.000 0.862 259 T HN 0.286 nan 8.240 nan 0.000 0.438 260 W N 0.957 122.363 121.300 0.177 0.000 2.448 260 W HA 0.531 5.191 4.660 -0.000 0.000 0.339 260 W C -0.168 176.456 176.519 0.175 0.000 1.124 260 W CA -0.749 56.702 57.345 0.176 0.000 1.262 260 W CB 0.866 30.414 29.460 0.146 0.000 1.251 260 W HN -0.197 nan 8.180 nan 0.000 0.597 261 S N 3.394 119.369 115.700 0.458 0.000 2.422 261 S HA 0.471 4.941 4.470 -0.000 0.000 0.308 261 S C -0.314 174.501 174.600 0.359 0.000 1.097 261 S CA -0.724 57.698 58.200 0.369 0.000 1.099 261 S CB 0.100 63.574 63.200 0.456 0.000 0.976 261 S HN 0.115 nan 8.310 nan 0.000 0.471 265 F N -1.551 118.089 119.950 -0.516 0.000 2.706 265 F HA 0.906 5.433 4.527 -0.000 0.000 0.328 265 F C -0.519 175.453 175.800 0.287 0.000 1.123 265 F CA -1.278 56.637 58.000 -0.141 0.000 0.978 265 F CB 1.447 40.556 39.000 0.181 0.000 1.404 265 F HN 0.454 nan 8.300 nan 0.000 0.497 266 E N 0.640 121.133 120.200 0.489 0.000 2.191 266 E HA 0.542 4.892 4.350 -0.000 0.000 0.274 266 E C -1.411 175.433 176.600 0.407 0.000 0.948 266 E CA -0.983 55.623 56.400 0.345 0.000 0.802 266 E CB 2.053 31.939 29.700 0.309 0.000 1.137 266 E HN 0.610 nan 8.360 nan 0.000 0.397 267 S N 1.174 117.063 115.700 0.315 0.000 2.540 267 S HA 0.091 4.561 4.470 -0.000 0.000 0.275 267 S C 0.311 175.101 174.600 0.315 0.000 1.123 267 S CA -0.536 57.889 58.200 0.375 0.000 0.907 267 S CB 1.457 64.948 63.200 0.486 0.000 1.081 267 S HN 0.503 nan 8.310 nan 0.000 0.476 268 Q N 1.227 121.171 119.800 0.240 0.000 2.369 268 Q HA 0.017 4.357 4.340 -0.000 0.000 0.206 268 Q C 0.605 176.768 176.000 0.271 0.000 0.963 268 Q CA 0.961 56.885 55.803 0.201 0.000 0.894 268 Q CB -0.015 28.791 28.738 0.113 0.000 0.965 268 Q HN 0.830 nan 8.270 nan 0.000 0.475 269 T N -1.134 113.514 114.554 0.157 0.000 2.893 269 T HA 0.538 4.888 4.350 -0.000 0.000 0.291 269 T C -2.827 171.661 174.700 -0.353 0.000 1.028 269 T CA -2.261 59.789 62.100 -0.084 0.000 0.995 269 T CB 2.580 71.331 68.868 -0.195 0.000 1.051 269 T HN -0.203 nan 8.240 nan 0.000 0.470 270 P HA 0.464 nan 4.420 nan 0.000 0.276 270 P C -1.226 175.765 177.300 -0.516 0.000 1.252 270 P CA -0.771 61.942 63.100 -0.645 0.000 0.802 270 P CB 0.435 31.619 31.700 -0.859 0.000 1.035 271 F N 0.126 119.992 119.950 -0.139 0.000 2.347 271 F HA 0.285 4.812 4.527 -0.000 0.000 0.366 271 F C 1.187 176.974 175.800 -0.021 0.000 1.107 271 F CA -0.187 57.798 58.000 -0.024 0.000 1.058 271 F CB 1.077 40.125 39.000 0.079 0.000 1.236 271 F HN 0.222 nan 8.300 nan 0.000 0.456 272 T N -1.681 112.916 114.554 0.072 0.000 3.182 272 T HA 0.160 4.510 4.350 -0.000 0.000 0.277 272 T C 0.285 175.129 174.700 0.242 0.000 1.013 272 T CA -0.646 61.496 62.100 0.071 0.000 0.900 272 T CB -0.902 67.857 68.868 -0.182 0.000 1.098 272 T HN 0.403 nan 8.240 nan 0.000 0.543 273 N N 1.263 120.100 118.700 0.229 0.000 2.263 273 N HA 0.101 4.840 4.740 -0.000 0.000 0.239 273 N C 0.450 176.073 175.510 0.189 0.000 1.317 273 N CA -0.313 52.847 53.050 0.183 0.000 0.909 273 N CB 0.223 38.806 38.487 0.161 0.000 1.171 273 N HN -0.176 nan 8.380 nan 0.000 0.492 274 D N -1.099 119.371 120.400 0.117 0.000 2.178 274 D HA -0.088 4.552 4.640 -0.000 0.000 0.202 274 D C 1.350 177.682 176.300 0.053 0.000 0.974 274 D CA 1.317 55.360 54.000 0.072 0.000 0.841 274 D CB -0.577 40.250 40.800 0.045 0.000 0.953 274 D HN 0.645 nan 8.370 nan 0.000 0.478 275 T N 0.813 115.410 114.554 0.073 0.000 2.684 275 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 275 T C 2.048 176.786 174.700 0.064 0.000 1.036 275 T CA 1.634 63.768 62.100 0.057 0.000 1.148 275 T CB -0.261 68.642 68.868 0.058 0.000 0.863 275 T HN 0.196 nan 8.240 nan 0.000 0.436 276 A N 1.364 124.263 122.820 0.133 0.000 1.877 276 A HA 0.004 4.323 4.320 -0.000 0.000 0.216 276 A C 2.268 179.882 177.584 0.051 0.000 1.186 276 A CA 1.373 53.519 52.037 0.181 0.000 0.620 276 A CB -0.886 18.330 19.000 0.359 0.000 0.822 276 A HN 0.396 nan 8.150 nan 0.000 0.443 277 L N 0.016 121.182 121.223 -0.095 0.000 2.012 277 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 277 L C 2.639 179.366 176.870 -0.239 0.000 1.073 277 L CA 2.425 56.957 54.840 -0.513 0.000 0.748 277 L CB -0.931 40.896 42.059 -0.388 0.000 0.891 277 L HN 0.351 nan 8.230 nan 0.000 0.431 278 A N -0.576 122.184 122.820 -0.101 0.000 1.940 278 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 278 A C 2.315 179.883 177.584 -0.026 0.000 1.176 278 A CA 1.787 53.791 52.037 -0.054 0.000 0.631 278 A CB -1.104 17.884 19.000 -0.021 0.000 0.814 278 A HN 0.602 nan 8.150 nan 0.000 0.446 279 A N -1.461 121.355 122.820 -0.006 0.000 2.208 279 A HA 0.149 4.468 4.320 -0.000 0.000 0.209 279 A C 0.945 178.555 177.584 0.043 0.000 1.161 279 A CA 0.686 52.741 52.037 0.030 0.000 0.782 279 A CB -0.716 18.312 19.000 0.046 0.000 0.816 279 A HN 0.721 nan 8.150 nan 0.000 0.477 280 N N -0.808 117.896 118.700 0.007 0.000 2.738 280 N HA -0.153 4.587 4.740 -0.000 0.000 0.249 280 N C -0.729 174.843 175.510 0.104 0.000 1.047 280 N CA 0.114 53.191 53.050 0.044 0.000 0.707 280 N CB -0.842 37.697 38.487 0.087 0.000 0.937 280 N HN 0.512 nan 8.380 nan 0.000 0.545 281 I N 0.465 121.114 120.570 0.133 0.000 2.581 281 I HA 0.089 4.259 4.170 -0.000 0.000 0.288 281 I C 1.128 177.371 176.117 0.211 0.000 1.047 281 I CA 0.244 61.640 61.300 0.161 0.000 1.374 281 I CB 1.562 39.652 38.000 0.150 0.000 1.423 281 I HN 0.037 nan 8.210 nan 0.000 0.549 282 T N 4.670 119.297 114.554 0.121 0.000 2.925 282 T HA 0.368 4.718 4.350 -0.000 0.000 0.285 282 T C -0.320 174.401 174.700 0.034 0.000 1.021 282 T CA -0.706 61.437 62.100 0.071 0.000 1.042 282 T CB 0.490 69.374 68.868 0.026 0.000 1.037 282 T HN 0.523 nan 8.240 nan 0.000 0.481 283 N N 3.777 122.470 118.700 -0.012 0.000 2.851 283 N HA 0.195 4.935 4.740 -0.000 0.000 0.248 283 N C -0.806 174.750 175.510 0.076 0.000 1.221 283 N CA -0.266 52.794 53.050 0.016 0.000 0.847 283 N CB 1.255 39.677 38.487 -0.107 0.000 1.150 283 N HN 0.636 nan 8.380 nan 0.000 0.507 284 E N 0.175 120.417 120.200 0.070 0.000 2.373 284 E HA 0.269 4.619 4.350 -0.000 0.000 0.263 284 E C 0.712 177.329 176.600 0.029 0.000 1.073 284 E CA -0.527 55.883 56.400 0.017 0.000 0.894 284 E CB 1.185 30.904 29.700 0.033 0.000 1.008 284 E HN 0.381 nan 8.360 nan 0.000 0.420 285 G N 0.724 109.428 108.800 -0.160 0.000 2.406 285 G HA2 0.429 4.389 3.960 -0.000 0.000 0.251 285 G HA3 0.429 4.389 3.960 -0.000 0.000 0.251 285 G C -0.149 174.688 174.900 -0.106 0.000 1.271 285 G CA -0.081 44.859 45.100 -0.267 0.000 0.859 285 G HN 0.474 nan 8.290 nan 0.000 0.540 286 G N -0.433 108.376 108.800 0.015 0.000 2.600 286 G HA2 0.769 4.728 3.960 -0.000 0.000 0.303 286 G HA3 0.769 4.728 3.960 -0.000 0.000 0.303 286 G C 0.053 174.999 174.900 0.077 0.000 1.253 286 G CA -0.079 45.029 45.100 0.014 0.000 0.974 286 G HN 1.105 nan 8.290 nan 0.000 0.483 287 A N -0.531 122.307 122.820 0.030 0.000 2.520 287 A HA 0.443 4.763 4.320 -0.000 0.000 0.235 287 A C 0.925 178.493 177.584 -0.026 0.000 1.065 287 A CA 1.219 53.267 52.037 0.017 0.000 0.764 287 A CB -0.334 18.655 19.000 -0.019 0.000 1.002 287 A HN 1.187 nan 8.150 nan 0.000 0.502 288 E N -0.259 119.902 120.200 -0.065 0.000 3.673 288 E HA -0.284 4.066 4.350 -0.000 0.000 0.309 288 E C 0.981 177.481 176.600 -0.167 0.000 0.819 288 E CA 1.269 57.600 56.400 -0.114 0.000 1.111 288 E CB -2.009 27.651 29.700 -0.067 0.000 1.561 288 E HN 2.358 nan 8.360 nan 0.000 0.450 289 G N 0.730 109.419 108.800 -0.185 0.000 2.155 289 G HA2 -0.402 3.557 3.960 -0.000 0.000 0.257 289 G HA3 -0.402 3.557 3.960 -0.000 0.000 0.257 289 G C 0.119 174.818 174.900 -0.335 0.000 0.983 289 G CA 0.613 45.542 45.100 -0.285 0.000 0.676 289 G HN 0.259 nan 8.290 nan 0.000 0.528 290 R N 0.094 120.495 120.500 -0.165 0.000 2.291 290 R HA 0.354 4.693 4.340 -0.000 0.000 0.333 290 R C -0.003 176.249 176.300 -0.080 0.000 1.082 290 R CA -0.503 55.555 56.100 -0.070 0.000 0.948 290 R CB 0.147 30.461 30.300 0.024 0.000 1.009 290 R HN 0.369 nan 8.270 nan 0.000 0.460 291 Y N 1.910 122.254 120.300 0.073 0.000 2.805 291 Y HA -0.099 4.451 4.550 -0.000 0.000 0.337 291 Y C 1.064 176.982 175.900 0.029 0.000 1.252 291 Y CA 0.419 58.548 58.100 0.049 0.000 1.515 291 Y CB 0.408 38.885 38.460 0.029 0.000 1.305 291 Y HN 0.253 nan 8.280 nan 0.000 0.600 292 R N 2.476 123.072 120.500 0.160 0.000 2.280 292 R HA 0.356 4.696 4.340 -0.000 0.000 0.326 292 R C -1.379 174.963 176.300 0.070 0.000 1.080 292 R CA -0.562 55.620 56.100 0.137 0.000 1.002 292 R CB 0.513 30.863 30.300 0.084 0.000 1.136 292 R HN 0.359 nan 8.270 nan 0.000 0.509 293 V N 6.107 125.933 119.914 -0.148 0.000 2.372 293 V HA 0.250 4.370 4.120 -0.000 0.000 0.261 293 V C -0.077 175.859 176.094 -0.265 0.000 1.055 293 V CA -0.426 61.680 62.300 -0.323 0.000 0.930 293 V CB 0.105 31.436 31.823 -0.821 0.000 1.031 293 V HN 0.509 nan 8.190 nan 0.000 0.479 294 L N 3.107 124.306 121.223 -0.040 0.000 2.600 294 L HA 0.824 5.164 4.340 -0.000 0.000 0.257 294 L C -0.964 175.955 176.870 0.080 0.000 1.048 294 L CA -0.960 53.906 54.840 0.043 0.000 0.869 294 L CB 2.244 44.401 42.059 0.163 0.000 1.482 294 L HN 0.251 nan 8.230 nan 0.000 0.408 295 K N 0.842 121.307 120.400 0.108 0.000 2.378 295 K HA 0.513 4.833 4.320 -0.000 0.000 0.252 295 K C -1.177 175.525 176.600 0.170 0.000 0.931 295 K CA -0.877 55.489 56.287 0.132 0.000 0.794 295 K CB 1.753 34.339 32.500 0.143 0.000 1.181 295 K HN 0.650 nan 8.250 nan 0.000 0.425 296 N N 1.939 120.739 118.700 0.167 0.000 2.513 296 N HA 0.272 5.012 4.740 -0.000 0.000 0.268 296 N C -0.528 175.217 175.510 0.391 0.000 1.180 296 N CA 0.325 53.525 53.050 0.249 0.000 0.948 296 N CB 0.452 39.002 38.487 0.104 0.000 1.083 296 N HN 0.367 nan 8.380 nan 0.000 0.455 300 L N 0.918 122.212 121.223 0.119 0.000 2.551 300 L HA 0.053 4.393 4.340 -0.000 0.000 0.228 300 L C 2.379 179.287 176.870 0.064 0.000 1.153 300 L CA 0.435 55.336 54.840 0.101 0.000 0.851 300 L CB -0.150 41.986 42.059 0.129 0.000 0.959 300 L HN 0.642 nan 8.230 nan 0.000 0.451 301 W N 1.260 122.474 121.300 -0.143 0.000 2.290 301 W HA -0.340 4.320 4.660 -0.000 0.000 0.318 301 W C 1.814 178.239 176.519 -0.157 0.000 1.248 301 W CA 1.573 58.805 57.345 -0.187 0.000 1.263 301 W CB -0.275 28.984 29.460 -0.334 0.000 1.147 301 W HN 0.156 nan 8.180 nan 0.000 0.494 302 L N 0.544 121.612 121.223 -0.257 0.000 2.013 302 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 302 L C 2.714 179.357 176.870 -0.377 0.000 1.073 302 L CA 1.811 56.408 54.840 -0.405 0.000 0.753 302 L CB -1.595 40.272 42.059 -0.319 0.000 0.890 302 L HN 0.076 nan 8.230 nan 0.000 0.432 303 L N -1.060 120.015 121.223 -0.246 0.000 2.056 303 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 303 L C 2.532 179.278 176.870 -0.207 0.000 1.078 303 L CA 1.575 56.290 54.840 -0.208 0.000 0.749 303 L CB -0.547 41.460 42.059 -0.087 0.000 0.901 303 L HN 0.302 nan 8.230 nan 0.000 0.433 304 Q N -0.855 118.827 119.800 -0.197 0.000 2.096 304 Q HA -0.251 4.089 4.340 -0.000 0.000 0.208 304 Q C 2.256 178.070 176.000 -0.311 0.000 0.993 304 Q CA 1.905 57.587 55.803 -0.202 0.000 0.862 304 Q CB -0.264 28.387 28.738 -0.146 0.000 0.915 304 Q HN 0.403 nan 8.270 nan 0.000 0.416 305 R N -0.010 120.179 120.500 -0.519 0.000 2.073 305 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 305 R C 2.345 178.449 176.300 -0.326 0.000 1.134 305 R CA 1.047 56.837 56.100 -0.517 0.000 0.952 305 R CB -1.027 28.826 30.300 -0.746 0.000 0.850 305 R HN 0.191 nan 8.270 nan 0.000 0.433 306 V N 2.094 121.828 119.914 -0.301 0.000 2.332 306 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 306 V C 2.568 178.554 176.094 -0.179 0.000 1.055 306 V CA 1.639 63.803 62.300 -0.227 0.000 1.038 306 V CB -0.539 31.143 31.823 -0.236 0.000 0.651 306 V HN 0.216 nan 8.190 nan 0.000 0.450 307 L N 0.107 121.229 121.223 -0.168 0.000 2.012 307 L HA -0.282 4.058 4.340 -0.000 0.000 0.210 307 L C 2.832 179.635 176.870 -0.112 0.000 1.073 307 L CA 2.266 57.033 54.840 -0.121 0.000 0.748 307 L CB -0.842 41.160 42.059 -0.096 0.000 0.891 307 L HN 0.536 nan 8.230 nan 0.000 0.431 308 Q N 0.295 120.016 119.800 -0.133 0.000 2.020 308 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 308 Q C 1.848 177.784 176.000 -0.107 0.000 0.982 308 Q CA 1.754 57.488 55.803 -0.115 0.000 0.838 308 Q CB -0.498 28.162 28.738 -0.131 0.000 0.899 308 Q HN 0.473 nan 8.270 nan 0.000 0.423 309 E N 0.340 120.464 120.200 -0.126 0.000 2.077 309 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 309 E C 2.029 178.575 176.600 -0.091 0.000 0.989 309 E CA 0.816 57.151 56.400 -0.108 0.000 0.800 309 E CB 0.017 29.644 29.700 -0.121 0.000 0.746 309 E HN 0.234 nan 8.360 nan 0.000 0.452 310 R N 0.549 120.990 120.500 -0.098 0.000 2.310 310 R HA 0.050 4.390 4.340 -0.000 0.000 0.202 310 R C 0.035 176.295 176.300 -0.068 0.000 0.933 310 R CA 0.163 56.213 56.100 -0.083 0.000 1.054 310 R CB -0.079 30.165 30.300 -0.094 0.000 0.985 310 R HN 0.285 nan 8.270 nan 0.000 0.489 311 Q N 0.252 120.012 119.800 -0.066 0.000 2.451 311 Q HA -0.177 4.163 4.340 -0.000 0.000 0.305 311 Q C -0.747 175.226 176.000 -0.046 0.000 1.345 311 Q CA 0.521 56.293 55.803 -0.052 0.000 0.854 311 Q CB -1.804 26.909 28.738 -0.042 0.000 1.162 311 Q HN 0.349 nan 8.270 nan 0.000 0.440 312 I N 1.535 122.073 120.570 -0.053 0.000 2.312 312 I HA 0.067 4.237 4.170 -0.000 0.000 0.291 312 I C 1.354 177.450 176.117 -0.034 0.000 1.031 312 I CA -0.007 61.267 61.300 -0.044 0.000 1.293 312 I CB 0.513 38.482 38.000 -0.053 0.000 1.403 312 I HN 0.326 nan 8.210 nan 0.000 0.484 313 N N 3.656 122.342 118.700 -0.023 0.000 2.187 313 N HA 0.033 4.773 4.740 -0.000 0.000 0.212 313 N C -0.216 175.288 175.510 -0.009 0.000 1.152 313 N CA -0.213 52.827 53.050 -0.017 0.000 0.872 313 N CB 0.717 39.196 38.487 -0.014 0.000 1.025 313 N HN 0.468 nan 8.380 nan 0.000 0.514 314 D N 1.679 122.075 120.400 -0.007 0.000 2.479 314 D HA 0.100 4.740 4.640 -0.000 0.000 0.247 314 D C 0.822 177.127 176.300 0.007 0.000 1.119 314 D CA -0.582 53.418 54.000 0.001 0.000 0.922 314 D CB 1.275 42.076 40.800 0.001 0.000 1.014 314 D HN 0.016 nan 8.370 nan 0.000 0.510 315 L N 5.919 127.149 121.223 0.011 0.000 2.017 315 L HA 0.078 4.417 4.340 -0.000 0.000 0.208 315 L C -1.059 175.834 176.870 0.037 0.000 1.073 315 L CA 1.878 56.734 54.840 0.027 0.000 0.745 315 L CB -1.189 40.888 42.059 0.029 0.000 0.894 315 L HN 0.219 nan 8.230 nan 0.000 0.432 316 P HA -0.199 nan 4.420 nan 0.000 0.216 316 P C 1.601 178.918 177.300 0.027 0.000 1.153 316 P CA 2.214 65.328 63.100 0.023 0.000 0.858 316 P CB -0.242 31.467 31.700 0.016 0.000 0.789 317 A N -0.857 121.976 122.820 0.022 0.000 1.902 317 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 317 A C 2.142 179.744 177.584 0.030 0.000 1.181 317 A CA 1.552 53.602 52.037 0.021 0.000 0.623 317 A CB -1.655 17.352 19.000 0.012 0.000 0.818 317 A HN 0.166 nan 8.150 nan 0.000 0.443 318 L N 0.023 121.267 121.223 0.035 0.000 2.017 318 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 318 L C 2.244 179.171 176.870 0.095 0.000 1.073 318 L CA 1.863 56.730 54.840 0.046 0.000 0.745 318 L CB -0.489 41.591 42.059 0.034 0.000 0.894 318 L HN 0.434 nan 8.230 nan 0.000 0.432 319 I N -0.313 120.330 120.570 0.122 0.000 2.208 319 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 319 I C 2.609 178.781 176.117 0.092 0.000 1.097 319 I CA 1.300 62.690 61.300 0.151 0.000 1.363 319 I CB -0.681 37.355 38.000 0.060 0.000 1.051 319 I HN 0.399 nan 8.210 nan 0.000 0.413 320 A N 0.693 123.546 122.820 0.056 0.000 1.883 320 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 320 A C 2.544 180.155 177.584 0.044 0.000 1.186 320 A CA 2.026 54.087 52.037 0.040 0.000 0.624 320 A CB -0.934 18.083 19.000 0.028 0.000 0.822 320 A HN 0.444 nan 8.150 nan 0.000 0.444 321 A N -1.225 121.621 122.820 0.044 0.000 1.933 321 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 321 A C 2.274 179.889 177.584 0.051 0.000 1.175 321 A CA 2.252 54.311 52.037 0.037 0.000 0.628 321 A CB -1.209 17.806 19.000 0.025 0.000 0.814 321 A HN 0.432 nan 8.150 nan 0.000 0.444 322 T N 0.006 114.609 114.554 0.082 0.000 2.867 322 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 322 T C 1.922 176.686 174.700 0.107 0.000 1.057 322 T CA 1.380 63.546 62.100 0.109 0.000 1.136 322 T CB -0.240 68.746 68.868 0.197 0.000 0.874 322 T HN 0.578 nan 8.240 nan 0.000 0.466 323 Q N 0.519 120.372 119.800 0.088 0.000 2.248 323 Q HA -0.071 4.269 4.340 -0.000 0.000 0.208 323 Q C 2.459 178.484 176.000 0.042 0.000 0.984 323 Q CA 1.313 57.150 55.803 0.057 0.000 0.875 323 Q CB -0.239 28.523 28.738 0.039 0.000 0.910 323 Q HN 0.559 nan 8.270 nan 0.000 0.433 324 A N -0.038 122.806 122.820 0.040 0.000 2.169 324 A HA 0.018 4.338 4.320 -0.000 0.000 0.212 324 A C 0.694 178.296 177.584 0.029 0.000 1.153 324 A CA 0.092 52.147 52.037 0.029 0.000 0.756 324 A CB 0.151 19.166 19.000 0.025 0.000 0.813 324 A HN 0.137 nan 8.150 nan 0.000 0.471 325 L N 0.721 121.968 121.223 0.040 0.000 2.350 325 L HA 0.439 4.779 4.340 -0.000 0.000 0.275 325 L C -2.357 174.525 176.870 0.020 0.000 1.099 325 L CA -2.532 52.333 54.840 0.042 0.000 0.808 325 L CB 0.725 42.827 42.059 0.072 0.000 1.149 325 L HN -0.035 nan 8.230 nan 0.000 0.442 326 P HA 0.181 nan 4.420 nan 0.000 0.267 326 P C -1.084 176.175 177.300 -0.069 0.000 1.200 326 P CA -0.264 62.814 63.100 -0.038 0.000 0.772 326 P CB 0.468 32.132 31.700 -0.060 0.000 0.855 327 A N 1.965 124.742 122.820 -0.073 0.000 2.302 327 A HA 0.430 4.750 4.320 -0.000 0.000 0.285 327 A C 0.676 178.143 177.584 -0.195 0.000 1.105 327 A CA -0.198 51.779 52.037 -0.100 0.000 0.816 327 A CB -0.502 18.456 19.000 -0.069 0.000 1.067 327 A HN 0.749 nan 8.150 nan 0.000 0.489 328 C N -0.013 119.128 119.300 -0.266 0.000 4.475 328 C HA -0.121 4.339 4.460 -0.000 0.000 0.280 328 C C 1.781 176.514 174.990 -0.430 0.000 1.338 328 C CA 0.999 59.748 59.018 -0.448 0.000 1.893 328 C CB -2.960 24.324 27.740 -0.759 0.000 1.299 328 C HN 1.031 nan 8.230 nan 0.000 0.767 329 R N -0.706 119.490 120.500 -0.506 0.000 2.210 329 R HA 0.229 4.569 4.340 -0.000 0.000 0.203 329 R C 0.043 175.936 176.300 -0.678 0.000 1.010 329 R CA 0.980 56.687 56.100 -0.654 0.000 1.008 329 R CB 0.109 29.868 30.300 -0.902 0.000 0.923 329 R HN 0.615 nan 8.270 nan 0.000 0.469 330 F N 0.595 120.487 119.950 -0.098 0.000 2.499 330 F HA 0.489 5.016 4.527 -0.000 0.000 0.333 330 F C -0.427 175.309 175.800 -0.107 0.000 1.138 330 F CA -1.039 56.911 58.000 -0.084 0.000 0.945 330 F CB 1.474 40.421 39.000 -0.088 0.000 1.181 330 F HN -0.274 nan 8.300 nan 0.000 0.435 331 I N 5.167 125.782 120.570 0.075 0.000 2.512 331 I HA 0.470 4.640 4.170 -0.000 0.000 0.287 331 I C -0.452 175.698 176.117 0.054 0.000 1.069 331 I CA -0.656 60.655 61.300 0.018 0.000 1.056 331 I CB 1.809 39.797 38.000 -0.020 0.000 1.229 331 I HN 0.549 nan 8.210 nan 0.000 0.429 332 I N 1.904 122.492 120.570 0.031 0.000 3.133 332 I HA 0.651 4.820 4.170 -0.000 0.000 0.311 332 I C -0.547 175.615 176.117 0.075 0.000 1.072 332 I CA -0.859 60.486 61.300 0.075 0.000 1.015 332 I CB 1.865 39.892 38.000 0.044 0.000 1.233 332 I HN 0.421 nan 8.210 nan 0.000 0.473 333 N N 2.712 121.511 118.700 0.166 0.000 2.500 333 N HA 0.418 5.158 4.740 -0.000 0.000 0.236 333 N C -2.116 173.531 175.510 0.228 0.000 1.022 333 N CA -2.472 50.677 53.050 0.164 0.000 0.935 333 N CB 1.147 39.739 38.487 0.175 0.000 1.147 333 N HN 0.329 nan 8.380 nan 0.000 0.512 334 P HA -0.022 nan 4.420 nan 0.000 0.220 334 P C 0.411 177.866 177.300 0.260 0.000 1.148 334 P CA 0.830 63.933 63.100 0.006 0.000 0.803 334 P CB 0.335 31.988 31.700 -0.077 0.000 0.782 335 N N -0.747 118.105 118.700 0.254 0.000 2.521 335 N HA -0.060 4.680 4.740 -0.000 0.000 0.188 335 N C 0.339 176.025 175.510 0.294 0.000 1.146 335 N CA 0.520 53.742 53.050 0.286 0.000 0.893 335 N CB -0.833 37.796 38.487 0.238 0.000 0.975 335 N HN 0.196 nan 8.380 nan 0.000 0.451 336 D N 0.826 121.424 120.400 0.331 0.000 2.455 336 D HA -0.071 4.568 4.640 -0.000 0.000 0.241 336 D C 0.386 176.768 176.300 0.138 0.000 1.138 336 D CA 0.052 54.163 54.000 0.186 0.000 0.877 336 D CB 0.853 41.715 40.800 0.103 0.000 1.187 336 D HN 0.003 nan 8.370 nan 0.000 0.451 337 D N 2.516 122.965 120.400 0.081 0.000 2.221 337 D HA -0.200 4.440 4.640 -0.000 0.000 0.204 337 D C 1.982 178.291 176.300 0.016 0.000 0.982 337 D CA 0.786 54.843 54.000 0.097 0.000 0.857 337 D CB -0.023 40.818 40.800 0.070 0.000 0.934 337 D HN 0.624 nan 8.370 nan 0.000 0.475 338 R N -0.084 120.309 120.500 -0.178 0.000 2.241 338 R HA -0.100 4.240 4.340 -0.000 0.000 0.224 338 R C 1.326 177.435 176.300 -0.319 0.000 1.101 338 R CA 0.912 56.821 56.100 -0.319 0.000 0.995 338 R CB -0.755 29.229 30.300 -0.527 0.000 0.870 338 R HN 0.219 nan 8.270 nan 0.000 0.463 339 F N 0.389 120.414 119.950 0.125 0.000 2.727 339 F HA 0.299 4.825 4.527 -0.000 0.000 0.302 339 F C 1.783 177.752 175.800 0.283 0.000 1.097 339 F CA -0.495 57.604 58.000 0.165 0.000 1.330 339 F CB 0.140 39.223 39.000 0.138 0.000 1.084 339 F HN -0.140 nan 8.300 nan 0.000 0.578 340 I N 0.278 121.050 120.570 0.338 0.000 2.179 340 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 340 I C 0.942 177.221 176.117 0.269 0.000 1.088 340 I CA 1.561 63.010 61.300 0.248 0.000 1.357 340 I CB -0.050 38.097 38.000 0.245 0.000 1.051 340 I HN 0.119 nan 8.210 nan 0.000 0.409 341 N N -0.195 118.668 118.700 0.272 0.000 2.605 341 N HA 0.165 4.905 4.740 -0.000 0.000 0.265 341 N C -2.540 173.075 175.510 0.176 0.000 1.625 341 N CA -0.974 52.252 53.050 0.294 0.000 0.862 341 N CB 0.409 38.974 38.487 0.129 0.000 1.415 341 N HN -0.044 nan 8.380 nan 0.000 0.513 342 P HA 0.189 nan 4.420 nan 0.000 0.269 342 P C 0.173 177.494 177.300 0.034 0.000 1.209 342 P CA -0.018 63.123 63.100 0.069 0.000 0.776 342 P CB 1.372 33.112 31.700 0.067 0.000 0.876 343 D N 0.163 120.566 120.400 0.004 0.000 2.144 343 D HA -0.078 4.562 4.640 -0.000 0.000 0.199 343 D C 0.789 177.069 176.300 -0.033 0.000 0.984 343 D CA 1.522 55.512 54.000 -0.017 0.000 0.834 343 D CB 0.355 41.142 40.800 -0.023 0.000 0.955 343 D HN 0.466 nan 8.370 nan 0.000 0.465 347 S N 1.177 116.850 115.700 -0.045 0.000 2.383 347 S HA -0.208 4.262 4.470 -0.000 0.000 0.229 347 S C 1.554 176.154 174.600 0.000 0.000 1.030 347 S CA 2.287 60.469 58.200 -0.029 0.000 1.002 347 S CB -0.181 63.001 63.200 -0.030 0.000 0.829 347 S HN 0.657 nan 8.310 nan 0.000 0.467 348 E N 1.348 121.568 120.200 0.033 0.000 2.046 348 E HA 0.005 4.354 4.350 -0.000 0.000 0.190 348 E C 1.832 178.551 176.600 0.199 0.000 0.982 348 E CA 0.898 57.346 56.400 0.081 0.000 0.800 348 E CB -0.366 29.396 29.700 0.104 0.000 0.756 348 E HN 0.497 nan 8.360 nan 0.000 0.449 349 I N 0.574 121.278 120.570 0.224 0.000 2.118 349 I HA -0.384 3.786 4.170 -0.000 0.000 0.241 349 I C 2.485 178.635 176.117 0.054 0.000 1.070 349 I CA 1.679 63.063 61.300 0.140 0.000 1.327 349 I CB -0.371 37.591 38.000 -0.063 0.000 1.034 349 I HN 0.222 nan 8.210 nan 0.000 0.405 350 Q N 0.401 120.197 119.800 -0.007 0.000 2.084 350 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 350 Q C 2.469 178.473 176.000 0.005 0.000 0.978 350 Q CA 1.648 57.432 55.803 -0.032 0.000 0.844 350 Q CB -0.306 28.398 28.738 -0.058 0.000 0.898 350 Q HN 0.599 nan 8.270 nan 0.000 0.426 351 A N 1.311 124.142 122.820 0.017 0.000 1.883 351 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 351 A C 2.340 179.946 177.584 0.035 0.000 1.186 351 A CA 1.724 53.771 52.037 0.016 0.000 0.624 351 A CB -0.957 18.043 19.000 0.001 0.000 0.822 351 A HN 0.409 nan 8.150 nan 0.000 0.444 352 A N -1.189 121.675 122.820 0.073 0.000 1.940 352 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 352 A C 2.311 179.952 177.584 0.094 0.000 1.176 352 A CA 1.796 53.896 52.037 0.105 0.000 0.631 352 A CB -1.233 17.920 19.000 0.255 0.000 0.814 352 A HN 0.611 nan 8.150 nan 0.000 0.446 353 C N -1.525 117.825 119.300 0.084 0.000 2.466 353 C HA 0.003 4.463 4.460 -0.000 0.000 0.278 353 C C 2.809 177.841 174.990 0.069 0.000 1.288 353 C CA 0.964 60.032 59.018 0.083 0.000 1.722 353 C CB -1.071 26.715 27.740 0.078 0.000 2.017 353 C HN 0.620 nan 8.230 nan 0.000 0.488 354 R N 1.383 121.912 120.500 0.048 0.000 2.081 354 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 354 R C 0.921 177.241 176.300 0.034 0.000 1.131 354 R CA 1.128 57.250 56.100 0.037 0.000 0.960 354 R CB -0.419 29.894 30.300 0.021 0.000 0.856 354 R HN 0.654 nan 8.270 nan 0.000 0.436 358 Q N 1.177 121.017 119.800 0.065 0.000 2.215 358 Q HA 0.504 4.844 4.340 -0.000 0.000 0.256 358 Q C -2.369 173.698 176.000 0.113 0.000 0.972 358 Q CA -2.188 53.665 55.803 0.084 0.000 0.889 358 Q CB 1.674 30.480 28.738 0.113 0.000 1.281 358 Q HN 0.355 nan 8.270 nan 0.000 0.456 359 P HA 0.015 nan 4.420 nan 0.000 0.269 359 P C -0.721 176.753 177.300 0.290 0.000 1.217 359 P CA 0.110 63.331 63.100 0.201 0.000 0.783 359 P CB 0.527 32.353 31.700 0.209 0.000 0.898 360 I N 3.150 123.814 120.570 0.157 0.000 2.325 360 I HA 0.198 4.368 4.170 -0.000 0.000 0.291 360 I C -2.005 173.979 176.117 -0.221 0.000 1.019 360 I CA -2.965 58.333 61.300 -0.004 0.000 1.302 360 I CB 0.402 38.388 38.000 -0.024 0.000 1.401 360 I HN 0.151 nan 8.210 nan 0.000 0.485 361 P HA 0.298 nan 4.420 nan 0.000 0.282 361 P C -0.160 176.866 177.300 -0.457 0.000 1.274 361 P CA -0.022 62.472 63.100 -1.011 0.000 0.770 361 P CB 1.669 32.563 31.700 -1.343 0.000 0.867 362 E N 0.892 120.899 120.200 -0.322 0.000 2.444 362 E HA 0.027 4.377 4.350 -0.000 0.000 0.203 362 E C 0.692 177.200 176.600 -0.154 0.000 0.847 362 E CA 0.051 56.338 56.400 -0.188 0.000 1.142 362 E CB 0.097 29.726 29.700 -0.118 0.000 1.125 362 E HN 0.537 nan 8.360 nan 0.000 0.521 363 S N 1.368 116.987 115.700 -0.134 0.000 2.580 363 S HA -0.031 4.439 4.470 -0.000 0.000 0.266 363 S C 0.672 175.196 174.600 -0.128 0.000 1.354 363 S CA -0.264 57.875 58.200 -0.102 0.000 1.008 363 S CB 0.685 63.845 63.200 -0.066 0.000 0.898 363 S HN -0.036 nan 8.310 nan 0.000 0.555 364 D N 1.670 122.008 120.400 -0.103 0.000 2.123 364 D HA -0.086 4.554 4.640 -0.000 0.000 0.196 364 D C 2.209 178.431 176.300 -0.131 0.000 0.992 364 D CA 1.959 55.889 54.000 -0.116 0.000 0.833 364 D CB -0.943 39.806 40.800 -0.084 0.000 0.954 364 D HN 0.728 nan 8.370 nan 0.000 0.455 365 A N 0.827 123.593 122.820 -0.091 0.000 1.930 365 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 365 A C 2.074 179.601 177.584 -0.095 0.000 1.175 365 A CA 1.269 53.263 52.037 -0.071 0.000 0.627 365 A CB -0.428 18.561 19.000 -0.018 0.000 0.815 365 A HN 0.188 nan 8.150 nan 0.000 0.443 366 E N -0.212 119.919 120.200 -0.114 0.000 2.077 366 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 366 E C 1.891 178.288 176.600 -0.338 0.000 0.989 366 E CA 1.151 57.441 56.400 -0.183 0.000 0.800 366 E CB -0.268 29.251 29.700 -0.303 0.000 0.746 366 E HN 0.620 nan 8.360 nan 0.000 0.452 367 L N 0.488 121.516 121.223 -0.325 0.000 2.046 367 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 367 L C 2.526 179.168 176.870 -0.381 0.000 1.077 367 L CA 1.094 55.728 54.840 -0.343 0.000 0.747 367 L CB -0.370 41.519 42.059 -0.284 0.000 0.896 367 L HN 0.133 nan 8.230 nan 0.000 0.432 368 A N -0.108 122.467 122.820 -0.409 0.000 1.898 368 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 368 A C 2.340 179.428 177.584 -0.825 0.000 1.181 368 A CA 1.685 53.290 52.037 -0.721 0.000 0.620 368 A CB -0.458 18.190 19.000 -0.587 0.000 0.819 368 A HN 0.270 nan 8.150 nan 0.000 0.442 369 R N -0.135 120.162 120.500 -0.338 0.000 2.083 369 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 369 R C 2.276 178.549 176.300 -0.044 0.000 1.137 369 R CA 1.977 58.030 56.100 -0.080 0.000 0.951 369 R CB -1.536 28.823 30.300 0.098 0.000 0.851 369 R HN 0.594 nan 8.270 nan 0.000 0.434 370 C N -0.138 119.138 119.300 -0.041 0.000 2.388 370 C HA -0.130 4.329 4.460 -0.000 0.000 0.277 370 C C 2.509 177.408 174.990 -0.151 0.000 1.210 370 C CA 1.276 60.277 59.018 -0.029 0.000 1.743 370 C CB -1.157 26.496 27.740 -0.146 0.000 2.047 370 C HN 0.640 nan 8.230 nan 0.000 0.458 371 I N 0.201 120.592 120.570 -0.298 0.000 2.118 371 I HA -0.191 3.978 4.170 -0.000 0.000 0.241 371 I C 2.467 178.500 176.117 -0.140 0.000 1.070 371 I CA 2.009 63.124 61.300 -0.308 0.000 1.327 371 I CB -0.662 37.080 38.000 -0.431 0.000 1.034 371 I HN 0.251 nan 8.210 nan 0.000 0.405 372 F N 0.933 120.822 119.950 -0.101 0.000 2.102 372 F HA -0.213 4.313 4.527 -0.000 0.000 0.298 372 F C 2.410 178.143 175.800 -0.111 0.000 1.105 372 F CA 1.092 59.037 58.000 -0.091 0.000 1.239 372 F CB -1.250 37.716 39.000 -0.056 0.000 0.991 372 F HN 0.133 nan 8.300 nan 0.000 0.474 373 D N -0.282 120.170 120.400 0.087 0.000 2.117 373 D HA -0.114 4.525 4.640 -0.000 0.000 0.198 373 D C 2.385 178.641 176.300 -0.074 0.000 0.982 373 D CA 1.518 55.510 54.000 -0.014 0.000 0.828 373 D CB -0.462 40.301 40.800 -0.061 0.000 0.967 373 D HN 0.140 nan 8.370 nan 0.000 0.464 374 S N 0.404 116.053 115.700 -0.086 0.000 2.402 374 S HA -0.047 4.423 4.470 -0.000 0.000 0.229 374 S C 2.206 176.707 174.600 -0.164 0.000 1.021 374 S CA 0.408 58.545 58.200 -0.104 0.000 0.974 374 S CB -0.108 63.027 63.200 -0.109 0.000 0.800 374 S HN 0.230 nan 8.310 nan 0.000 0.484 375 L N 1.015 122.098 121.223 -0.233 0.000 2.027 375 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 375 L C 2.796 179.187 176.870 -0.798 0.000 1.074 375 L CA 1.216 55.739 54.840 -0.528 0.000 0.745 375 L CB -0.650 41.114 42.059 -0.491 0.000 0.898 375 L HN 0.325 nan 8.230 nan 0.000 0.433 376 A N -0.051 122.532 122.820 -0.395 0.000 1.930 376 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 376 A C 2.235 179.797 177.584 -0.037 0.000 1.175 376 A CA 1.282 53.233 52.037 -0.145 0.000 0.627 376 A CB -0.601 18.414 19.000 0.025 0.000 0.815 376 A HN 0.355 nan 8.150 nan 0.000 0.443 377 L N -1.174 120.022 121.223 -0.045 0.000 2.056 377 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 377 L C 2.502 179.404 176.870 0.053 0.000 1.078 377 L CA 0.813 55.682 54.840 0.047 0.000 0.749 377 L CB -0.505 41.593 42.059 0.066 0.000 0.901 377 L HN 0.405 nan 8.230 nan 0.000 0.433 378 L N -0.935 120.274 121.223 -0.022 0.000 2.046 378 L HA -0.236 4.103 4.340 -0.000 0.000 0.208 378 L C 2.523 179.472 176.870 0.132 0.000 1.077 378 L CA 1.855 56.711 54.840 0.027 0.000 0.747 378 L CB -0.807 41.240 42.059 -0.021 0.000 0.896 378 L HN 0.113 nan 8.230 nan 0.000 0.432 379 Y N 0.047 120.397 120.300 0.083 0.000 2.114 379 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 379 Y C 2.654 178.599 175.900 0.075 0.000 1.165 379 Y CA 1.076 59.217 58.100 0.068 0.000 1.148 379 Y CB -1.644 36.843 38.460 0.044 0.000 0.972 379 Y HN 0.307 nan 8.280 nan 0.000 0.504 380 A N 0.030 123.000 122.820 0.250 0.000 1.898 380 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 380 A C 2.060 179.761 177.584 0.196 0.000 1.181 380 A CA 1.818 53.973 52.037 0.197 0.000 0.620 380 A CB -0.744 18.359 19.000 0.172 0.000 0.819 380 A HN 0.364 nan 8.150 nan 0.000 0.442 381 D N -0.156 120.348 120.400 0.173 0.000 2.092 381 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 381 D C 2.073 178.495 176.300 0.203 0.000 0.994 381 D CA 1.677 55.779 54.000 0.170 0.000 0.828 381 D CB -0.509 40.371 40.800 0.134 0.000 0.963 381 D HN 0.211 nan 8.370 nan 0.000 0.450 382 V N 0.860 120.886 119.914 0.188 0.000 2.358 382 V HA -0.179 3.940 4.120 -0.000 0.000 0.246 382 V C 2.474 178.662 176.094 0.157 0.000 1.047 382 V CA 0.875 63.277 62.300 0.169 0.000 1.035 382 V CB -0.361 31.568 31.823 0.177 0.000 0.658 382 V HN 0.109 nan 8.190 nan 0.000 0.452 383 L N -0.149 121.168 121.223 0.157 0.000 2.083 383 L HA -0.189 4.150 4.340 -0.000 0.000 0.209 383 L C 2.447 179.454 176.870 0.229 0.000 1.083 383 L CA 2.306 57.225 54.840 0.132 0.000 0.752 383 L CB -0.725 41.383 42.059 0.083 0.000 0.899 383 L HN 0.538 nan 8.230 nan 0.000 0.433 384 H N -0.383 118.766 119.070 0.131 0.000 2.326 384 H HA -0.140 4.416 4.556 -0.000 0.000 0.301 384 H C 2.077 177.452 175.328 0.079 0.000 1.081 384 H CA 2.197 58.308 56.048 0.106 0.000 1.334 384 H CB 0.032 29.844 29.762 0.084 0.000 1.385 384 H HN 0.475 nan 8.280 nan 0.000 0.504 385 E N -0.066 120.147 120.200 0.021 0.000 2.085 385 E HA -0.167 4.182 4.350 -0.000 0.000 0.194 385 E C 2.301 178.881 176.600 -0.033 0.000 0.994 385 E CA 1.383 57.762 56.400 -0.036 0.000 0.801 385 E CB -0.038 29.702 29.700 0.067 0.000 0.743 385 E HN 0.482 nan 8.360 nan 0.000 0.453 386 L N 0.326 121.593 121.223 0.073 0.000 2.044 386 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 386 L C 2.595 179.444 176.870 -0.035 0.000 1.075 386 L CA 0.901 55.833 54.840 0.153 0.000 0.747 386 L CB -0.438 41.827 42.059 0.344 0.000 0.903 386 L HN 0.110 nan 8.230 nan 0.000 0.435 387 A N -0.247 122.582 122.820 0.015 0.000 1.908 387 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 387 A C 2.227 179.631 177.584 -0.301 0.000 1.181 387 A CA 2.150 54.020 52.037 -0.278 0.000 0.627 387 A CB -0.601 18.298 19.000 -0.168 0.000 0.818 387 A HN 0.426 nan 8.150 nan 0.000 0.445 388 Q N -0.723 118.910 119.800 -0.278 0.000 2.084 388 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 388 Q C 1.887 177.769 176.000 -0.197 0.000 0.978 388 Q CA 1.758 57.404 55.803 -0.262 0.000 0.844 388 Q CB -0.447 28.081 28.738 -0.351 0.000 0.898 388 Q HN 0.558 nan 8.270 nan 0.000 0.426 389 L N 0.963 122.064 121.223 -0.204 0.000 1.994 389 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 389 L C 2.300 178.966 176.870 -0.340 0.000 1.071 389 L CA 2.390 57.096 54.840 -0.224 0.000 0.745 389 L CB -0.576 41.351 42.059 -0.221 0.000 0.892 389 L HN 0.372 nan 8.230 nan 0.000 0.431 390 R N -0.541 119.674 120.500 -0.474 0.000 2.240 390 R HA 0.174 4.514 4.340 -0.000 0.000 0.203 390 R C 1.229 177.424 176.300 -0.176 0.000 1.011 390 R CA 0.754 56.610 56.100 -0.406 0.000 1.007 390 R CB -0.646 29.250 30.300 -0.673 0.000 0.911 390 R HN 0.424 nan 8.270 nan 0.000 0.468 391 G N 1.197 109.869 108.800 -0.212 0.000 2.225 391 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.264 391 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.264 391 G C -0.438 174.347 174.900 -0.190 0.000 1.060 391 G CA 0.555 45.566 45.100 -0.149 0.000 0.833 391 G HN 0.582 nan 8.290 nan 0.000 0.498 392 E N -0.104 119.904 120.200 -0.320 0.000 2.343 392 E HA 0.341 4.691 4.350 -0.000 0.000 0.288 392 E C -0.859 175.385 176.600 -0.592 0.000 0.907 392 E CA -0.892 55.286 56.400 -0.369 0.000 0.792 392 E CB 1.120 30.612 29.700 -0.347 0.000 1.275 392 E HN 0.042 nan 8.360 nan 0.000 0.402 393 D N 1.819 121.964 120.400 -0.425 0.000 2.346 393 D HA 0.150 4.790 4.640 -0.000 0.000 0.236 393 D C -0.735 175.187 176.300 -0.630 0.000 1.259 393 D CA 0.705 54.458 54.000 -0.412 0.000 0.898 393 D CB 0.352 41.053 40.800 -0.165 0.000 1.178 393 D HN 0.198 nan 8.370 nan 0.000 0.457 394 F N -0.652 119.266 119.950 -0.054 0.000 2.508 394 F HA 0.217 4.743 4.527 -0.000 0.000 0.325 394 F C 1.415 177.209 175.800 -0.009 0.000 1.090 394 F CA -0.626 57.354 58.000 -0.034 0.000 0.945 394 F CB 1.808 40.787 39.000 -0.035 0.000 1.156 394 F HN 0.229 nan 8.300 nan 0.000 0.463 395 S N 0.393 116.202 115.700 0.182 0.000 2.492 395 S HA 0.266 4.736 4.470 -0.000 0.000 0.218 395 S C 0.124 174.777 174.600 0.088 0.000 1.016 395 S CA -0.013 58.251 58.200 0.107 0.000 0.916 395 S CB 0.040 63.284 63.200 0.073 0.000 0.791 395 S HN 0.707 nan 8.310 nan 0.000 0.513 396 Q N 0.258 120.118 119.800 0.100 0.000 2.345 396 Q HA 0.573 4.913 4.340 -0.000 0.000 0.275 396 Q C -2.214 173.760 176.000 -0.043 0.000 1.063 396 Q CA -0.799 55.000 55.803 -0.007 0.000 0.819 396 Q CB 2.378 31.071 28.738 -0.075 0.000 1.356 396 Q HN 0.271 nan 8.270 nan 0.000 0.418 397 L N 2.507 123.653 121.223 -0.128 0.000 2.287 397 L HA 0.340 4.680 4.340 -0.000 0.000 0.287 397 L C -1.085 175.664 176.870 -0.202 0.000 1.022 397 L CA -0.170 54.584 54.840 -0.145 0.000 0.814 397 L CB 0.740 42.717 42.059 -0.137 0.000 1.217 397 L HN 0.584 nan 8.230 nan 0.000 0.420 398 H N 6.896 125.963 119.070 -0.005 0.000 2.705 398 H HA 0.349 4.905 4.556 -0.000 0.000 0.291 398 H C -0.457 174.878 175.328 0.012 0.000 1.085 398 H CA -0.175 55.890 56.048 0.029 0.000 1.357 398 H CB 0.916 30.719 29.762 0.067 0.000 1.419 398 H HN 0.520 nan 8.280 nan 0.000 0.462 399 I N 4.906 125.509 120.570 0.055 0.000 2.315 399 I HA 0.154 4.324 4.170 -0.000 0.000 0.291 399 I C 0.608 176.753 176.117 0.046 0.000 1.006 399 I CA -0.693 60.612 61.300 0.009 0.000 1.265 399 I CB 1.194 39.146 38.000 -0.079 0.000 1.387 399 I HN 0.240 nan 8.210 nan 0.000 0.475 400 V N 2.845 122.788 119.914 0.048 0.000 3.126 400 V HA 1.093 5.213 4.120 -0.000 0.000 0.314 400 V C 0.073 176.186 176.094 0.032 0.000 1.138 400 V CA -0.249 62.077 62.300 0.044 0.000 1.034 400 V CB 1.376 33.227 31.823 0.046 0.000 1.075 400 V HN 1.073 nan 8.190 nan 0.000 0.442 401 G N 0.528 109.346 108.800 0.029 0.000 2.661 401 G HA2 0.286 4.245 3.960 -0.000 0.000 0.685 401 G HA3 0.286 4.245 3.960 -0.000 0.000 0.685 401 G C 0.547 175.464 174.900 0.027 0.000 1.298 401 G CA -0.187 44.932 45.100 0.032 0.000 0.855 401 G HN 1.993 nan 8.290 nan 0.000 0.560 402 G N -0.363 108.456 108.800 0.030 0.000 2.448 402 G HA2 0.239 4.199 3.960 -0.000 0.000 0.219 402 G HA3 0.239 4.199 3.960 -0.000 0.000 0.219 402 G C 1.888 176.799 174.900 0.018 0.000 1.127 402 G CA 1.930 47.043 45.100 0.022 0.000 0.766 402 G HN 1.920 nan 8.290 nan 0.000 0.552 403 G N 0.493 109.310 108.800 0.028 0.000 2.470 403 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.220 403 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.220 403 G C 1.944 176.827 174.900 -0.029 0.000 1.121 403 G CA 1.422 46.531 45.100 0.014 0.000 0.766 403 G HN 0.778 nan 8.290 nan 0.000 0.553 404 C N -0.308 118.981 119.300 -0.019 0.000 2.466 404 C HA 0.181 4.641 4.460 -0.000 0.000 0.283 404 C C 2.281 177.254 174.990 -0.029 0.000 1.472 404 C CA 0.255 59.251 59.018 -0.037 0.000 1.765 404 C CB -0.961 26.779 27.740 -0.001 0.000 1.724 404 C HN 0.501 nan 8.230 nan 0.000 0.560 405 Q N 0.946 120.734 119.800 -0.020 0.000 2.432 405 Q HA 0.049 4.389 4.340 -0.000 0.000 0.205 405 Q C 0.624 176.598 176.000 -0.044 0.000 0.945 405 Q CA 0.180 55.978 55.803 -0.009 0.000 0.924 405 Q CB -0.220 28.519 28.738 0.000 0.000 1.016 405 Q HN 0.633 nan 8.270 nan 0.000 0.503 406 N N 1.343 119.981 118.700 -0.103 0.000 2.508 406 N HA -0.030 4.709 4.740 -0.000 0.000 0.253 406 N C 0.709 176.073 175.510 -0.244 0.000 1.145 406 N CA 0.264 53.202 53.050 -0.187 0.000 0.973 406 N CB 0.912 39.235 38.487 -0.272 0.000 1.305 406 N HN 0.181 nan 8.380 nan 0.000 0.506 407 T N 0.975 115.437 114.554 -0.154 0.000 2.915 407 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 407 T C 1.836 176.402 174.700 -0.222 0.000 1.071 407 T CA 0.476 62.497 62.100 -0.132 0.000 1.132 407 T CB -0.057 68.888 68.868 0.130 0.000 0.878 407 T HN 0.297 nan 8.240 nan 0.000 0.479 408 L N 0.614 121.706 121.223 -0.218 0.000 1.994 408 L HA 0.189 4.529 4.340 -0.000 0.000 0.208 408 L C 2.279 178.968 176.870 -0.302 0.000 1.071 408 L CA 1.570 56.277 54.840 -0.222 0.000 0.745 408 L CB -1.286 40.627 42.059 -0.244 0.000 0.892 408 L HN 0.317 nan 8.230 nan 0.000 0.431 409 L N 0.105 121.063 121.223 -0.442 0.000 2.093 409 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 409 L C 2.248 178.958 176.870 -0.267 0.000 1.085 409 L CA 1.477 56.111 54.840 -0.343 0.000 0.755 409 L CB -1.197 40.629 42.059 -0.388 0.000 0.904 409 L HN 0.363 nan 8.230 nan 0.000 0.435 410 N N -0.255 118.180 118.700 -0.443 0.000 2.036 410 N HA -0.268 4.472 4.740 -0.000 0.000 0.195 410 N C 1.870 177.038 175.510 -0.571 0.000 1.037 410 N CA 1.640 54.283 53.050 -0.678 0.000 0.855 410 N CB -0.381 37.250 38.487 -1.426 0.000 1.033 410 N HN 0.425 nan 8.380 nan 0.000 0.423 411 Q N 0.638 120.148 119.800 -0.484 0.000 2.119 411 Q HA 0.118 4.458 4.340 -0.000 0.000 0.201 411 Q C 2.088 178.051 176.000 -0.061 0.000 0.972 411 Q CA 0.887 56.613 55.803 -0.128 0.000 0.847 411 Q CB -0.277 28.478 28.738 0.028 0.000 0.903 411 Q HN 0.384 nan 8.270 nan 0.000 0.433 412 L N -0.729 120.449 121.223 -0.075 0.000 2.083 412 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 412 L C 2.577 179.465 176.870 0.030 0.000 1.083 412 L CA 1.008 55.840 54.840 -0.014 0.000 0.752 412 L CB -0.558 41.497 42.059 -0.007 0.000 0.899 412 L HN 0.435 nan 8.230 nan 0.000 0.433 413 C N -0.062 119.259 119.300 0.034 0.000 2.453 413 C HA -0.119 4.340 4.460 -0.000 0.000 0.277 413 C C 3.124 178.140 174.990 0.044 0.000 1.262 413 C CA 0.871 59.948 59.018 0.098 0.000 1.718 413 C CB -0.659 27.104 27.740 0.039 0.000 2.031 413 C HN 0.575 nan 8.230 nan 0.000 0.480 414 A N 0.256 123.077 122.820 0.002 0.000 1.902 414 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 414 A C 1.832 179.441 177.584 0.042 0.000 1.181 414 A CA 2.299 54.353 52.037 0.029 0.000 0.623 414 A CB -0.711 18.327 19.000 0.063 0.000 0.818 414 A HN 0.642 nan 8.150 nan 0.000 0.443 415 D N 0.037 120.459 120.400 0.036 0.000 2.097 415 D HA -0.013 4.627 4.640 -0.000 0.000 0.197 415 D C 2.275 178.601 176.300 0.043 0.000 0.984 415 D CA 1.610 55.629 54.000 0.031 0.000 0.826 415 D CB -0.500 40.309 40.800 0.014 0.000 0.973 415 D HN 0.403 nan 8.370 nan 0.000 0.460 416 A N 0.189 123.047 122.820 0.063 0.000 1.873 416 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 416 A C 2.435 180.076 177.584 0.095 0.000 1.186 416 A CA 1.351 53.441 52.037 0.089 0.000 0.616 416 A CB -0.869 18.198 19.000 0.110 0.000 0.823 416 A HN 0.371 nan 8.150 nan 0.000 0.442 417 C N -1.478 117.881 119.300 0.098 0.000 2.468 417 C HA 0.370 4.830 4.460 -0.000 0.000 0.277 417 C C 1.945 176.984 174.990 0.082 0.000 1.400 417 C CA 0.261 59.341 59.018 0.102 0.000 1.770 417 C CB -1.222 26.572 27.740 0.089 0.000 1.905 417 C HN 1.157 nan 8.230 nan 0.000 0.519 418 G N 0.989 109.825 108.800 0.060 0.000 2.272 418 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 418 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 418 G C -0.303 174.628 174.900 0.052 0.000 1.067 418 G CA 0.506 45.634 45.100 0.047 0.000 0.902 418 G HN 0.626 nan 8.290 nan 0.000 0.500 419 I N -1.161 119.439 120.570 0.050 0.000 2.769 419 I HA 0.614 4.783 4.170 -0.000 0.000 0.298 419 I C 0.565 176.702 176.117 0.033 0.000 1.128 419 I CA -1.821 59.508 61.300 0.047 0.000 1.031 419 I CB 1.393 39.425 38.000 0.053 0.000 1.235 419 I HN 0.277 nan 8.210 nan 0.000 0.423 420 R N 5.635 126.150 120.500 0.026 0.000 2.522 420 R HA 0.336 4.676 4.340 -0.000 0.000 0.284 420 R C -1.809 174.486 176.300 -0.009 0.000 1.032 420 R CA -0.003 56.107 56.100 0.017 0.000 1.049 420 R CB 0.713 31.015 30.300 0.004 0.000 0.956 420 R HN 0.441 nan 8.270 nan 0.000 0.422 421 V N 6.627 126.560 119.914 0.031 0.000 2.435 421 V HA 0.366 4.485 4.120 -0.000 0.000 0.290 421 V C -0.173 175.951 176.094 0.049 0.000 1.030 421 V CA -0.805 61.502 62.300 0.011 0.000 0.881 421 V CB 1.696 33.536 31.823 0.029 0.000 0.983 421 V HN 0.660 nan 8.190 nan 0.000 0.445 422 I N 4.514 125.036 120.570 -0.080 0.000 2.382 422 I HA 0.562 4.732 4.170 -0.000 0.000 0.285 422 I C 0.410 176.564 176.117 0.062 0.000 1.007 422 I CA -0.480 60.803 61.300 -0.028 0.000 1.142 422 I CB 1.322 39.218 38.000 -0.174 0.000 1.289 422 I HN 0.643 nan 8.210 nan 0.000 0.453 423 A N 4.678 127.596 122.820 0.164 0.000 2.290 423 A HA 0.879 5.198 4.320 -0.000 0.000 0.310 423 A C 0.481 178.137 177.584 0.120 0.000 1.202 423 A CA 0.131 52.252 52.037 0.141 0.000 0.837 423 A CB 0.843 19.962 19.000 0.198 0.000 1.139 423 A HN 1.190 nan 8.150 nan 0.000 0.509 424 G N 2.376 111.232 108.800 0.094 0.000 2.465 424 G HA2 0.239 4.199 3.960 -0.000 0.000 0.681 424 G HA3 0.239 4.199 3.960 -0.000 0.000 0.681 424 G C -3.429 171.513 174.900 0.070 0.000 1.340 424 G CA -0.566 44.578 45.100 0.073 0.000 0.884 424 G HN 0.688 nan 8.290 nan 0.000 0.650 425 P HA 0.424 nan 4.420 nan 0.000 0.276 425 P C 1.262 178.579 177.300 0.030 0.000 1.244 425 P CA -0.382 62.734 63.100 0.027 0.000 0.801 425 P CB 1.361 33.068 31.700 0.011 0.000 1.006 426 V N 0.502 120.431 119.914 0.026 0.000 2.244 426 V HA -0.137 3.982 4.120 -0.000 0.000 0.244 426 V C 1.308 177.414 176.094 0.019 0.000 1.042 426 V CA 1.830 64.144 62.300 0.022 0.000 1.006 426 V CB -0.959 30.875 31.823 0.018 0.000 0.641 426 V HN 0.539 nan 8.190 nan 0.000 0.446 427 E N 0.306 120.517 120.200 0.018 0.000 2.122 427 E HA 0.388 4.738 4.350 -0.000 0.000 0.288 427 E C 1.131 177.745 176.600 0.023 0.000 1.260 427 E CA 0.403 56.812 56.400 0.015 0.000 1.344 427 E CB 0.595 30.302 29.700 0.012 0.000 1.337 427 E HN 0.456 nan 8.360 nan 0.000 0.484 428 A N 0.796 123.628 122.820 0.020 0.000 1.897 428 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 428 A C 2.327 179.922 177.584 0.018 0.000 1.181 428 A CA 1.167 53.219 52.037 0.024 0.000 0.620 428 A CB 0.011 19.017 19.000 0.010 0.000 0.821 428 A HN 0.332 nan 8.150 nan 0.000 0.443 429 S N -0.262 115.437 115.700 -0.002 0.000 2.359 429 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 429 S C 2.085 176.679 174.600 -0.010 0.000 1.035 429 S CA 1.895 60.084 58.200 -0.020 0.000 1.018 429 S CB -0.570 62.616 63.200 -0.023 0.000 0.876 429 S HN 0.708 nan 8.310 nan 0.000 0.448 430 T N 2.887 117.442 114.554 0.001 0.000 2.684 430 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 430 T C 1.764 176.481 174.700 0.028 0.000 1.036 430 T CA 1.210 63.313 62.100 0.005 0.000 1.148 430 T CB -0.519 68.354 68.868 0.008 0.000 0.863 430 T HN 0.248 nan 8.240 nan 0.000 0.436 431 L N 0.543 121.812 121.223 0.076 0.000 2.083 431 L HA -0.012 4.328 4.340 -0.000 0.000 0.209 431 L C 2.974 179.950 176.870 0.177 0.000 1.083 431 L CA 1.325 56.277 54.840 0.186 0.000 0.752 431 L CB -0.813 41.381 42.059 0.224 0.000 0.899 431 L HN 0.369 nan 8.230 nan 0.000 0.433 432 G N -0.503 108.353 108.800 0.092 0.000 2.421 432 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 432 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 432 G C 1.442 176.239 174.900 -0.173 0.000 1.143 432 G CA 0.598 45.678 45.100 -0.034 0.000 0.784 432 G HN 0.315 nan 8.290 nan 0.000 0.541 433 N N 1.212 119.848 118.700 -0.107 0.000 2.058 433 N HA -0.130 4.610 4.740 -0.000 0.000 0.191 433 N C 2.169 177.585 175.510 -0.157 0.000 1.037 433 N CA 1.006 53.989 53.050 -0.112 0.000 0.848 433 N CB -0.332 38.115 38.487 -0.067 0.000 1.021 433 N HN 0.162 nan 8.380 nan 0.000 0.422 434 I N 1.114 121.600 120.570 -0.140 0.000 2.151 434 I HA -0.180 3.990 4.170 -0.000 0.000 0.243 434 I C 2.482 178.374 176.117 -0.375 0.000 1.080 434 I CA 1.400 62.602 61.300 -0.163 0.000 1.339 434 I CB -1.937 36.039 38.000 -0.040 0.000 1.039 434 I HN 0.226 nan 8.210 nan 0.000 0.409 435 G N 1.651 109.998 108.800 -0.755 0.000 2.476 435 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 435 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 435 G C 1.643 176.148 174.900 -0.659 0.000 1.164 435 G CA 0.548 44.837 45.100 -1.352 0.000 0.768 435 G HN 0.230 nan 8.290 nan 0.000 0.560 436 I N 0.982 121.293 120.570 -0.432 0.000 2.208 436 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 436 I C 2.899 178.901 176.117 -0.191 0.000 1.097 436 I CA 1.294 62.444 61.300 -0.249 0.000 1.363 436 I CB -1.327 36.572 38.000 -0.168 0.000 1.051 436 I HN 0.381 nan 8.210 nan 0.000 0.413 437 Q N 0.458 120.149 119.800 -0.181 0.000 2.061 437 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 437 Q C 1.264 177.192 176.000 -0.120 0.000 0.984 437 Q CA 0.914 56.642 55.803 -0.124 0.000 0.846 437 Q CB -0.213 28.465 28.738 -0.099 0.000 0.902 437 Q HN 0.419 nan 8.270 nan 0.000 0.421 441 L N 2.241 123.449 121.223 -0.025 0.000 2.591 441 L HA 0.374 4.714 4.340 -0.000 0.000 0.228 441 L C 0.806 177.681 176.870 0.007 0.000 1.133 441 L CA 1.199 56.036 54.840 -0.004 0.000 0.880 441 L CB -0.718 41.342 42.059 0.003 0.000 1.033 441 L HN 0.379 nan 8.230 nan 0.000 0.450 442 D N -0.575 119.825 120.400 0.000 0.000 2.907 442 D HA -0.211 4.429 4.640 -0.000 0.000 0.226 442 D C 1.057 177.378 176.300 0.035 0.000 1.141 442 D CA 0.715 54.722 54.000 0.012 0.000 0.779 442 D CB -0.557 40.251 40.800 0.014 0.000 1.095 442 D HN 0.317 nan 8.370 nan 0.000 0.430 443 E N -0.912 119.313 120.200 0.041 0.000 2.476 443 E HA 0.247 4.597 4.350 -0.000 0.000 0.199 443 E C 0.344 177.007 176.600 0.105 0.000 1.021 443 E CA -0.036 56.429 56.400 0.107 0.000 0.907 443 E CB 0.741 30.532 29.700 0.152 0.000 0.974 443 E HN 0.415 nan 8.360 nan 0.000 0.489 444 L N 0.525 121.763 121.223 0.025 0.000 2.549 444 L HA 0.310 4.650 4.340 -0.000 0.000 0.259 444 L C -0.035 176.836 176.870 0.000 0.000 0.934 444 L CA -0.249 54.594 54.840 0.005 0.000 0.865 444 L CB 1.888 43.888 42.059 -0.098 0.000 1.352 444 L HN -0.340 nan 8.230 nan 0.000 0.410 445 N N 1.755 120.468 118.700 0.022 0.000 2.336 445 N HA 0.114 4.853 4.740 -0.000 0.000 0.177 445 N C -0.381 175.129 175.510 -0.000 0.000 1.018 445 N CA 0.936 53.994 53.050 0.012 0.000 0.878 445 N CB -0.133 38.368 38.487 0.024 0.000 0.997 445 N HN 0.803 nan 8.380 nan 0.000 0.433 446 N N -2.636 116.070 118.700 0.010 0.000 3.339 446 N HA 0.103 4.842 4.740 -0.000 0.000 0.275 446 N C 0.223 175.754 175.510 0.034 0.000 1.514 446 N CA -0.585 52.468 53.050 0.004 0.000 0.879 446 N CB 0.811 39.302 38.487 0.006 0.000 1.557 446 N HN -0.281 nan 8.380 nan 0.000 0.524 447 V N 0.237 120.170 119.914 0.031 0.000 2.358 447 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 447 V C 1.223 177.381 176.094 0.107 0.000 1.047 447 V CA 2.152 64.497 62.300 0.074 0.000 1.035 447 V CB -0.847 30.999 31.823 0.039 0.000 0.658 447 V HN 0.662 nan 8.190 nan 0.000 0.452 448 D N 0.174 120.613 120.400 0.065 0.000 2.123 448 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 448 D C 1.915 178.248 176.300 0.055 0.000 0.992 448 D CA 1.425 55.456 54.000 0.052 0.000 0.833 448 D CB -0.366 40.458 40.800 0.040 0.000 0.954 448 D HN 0.412 nan 8.370 nan 0.000 0.455 449 D N -0.357 120.084 120.400 0.069 0.000 2.117 449 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 449 D C 1.818 178.179 176.300 0.102 0.000 0.987 449 D CA 0.426 54.471 54.000 0.076 0.000 0.829 449 D CB -0.494 40.353 40.800 0.078 0.000 0.961 449 D HN 0.171 nan 8.370 nan 0.000 0.460 450 F N 1.938 121.868 119.950 -0.034 0.000 2.134 450 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 450 F C 2.206 177.985 175.800 -0.035 0.000 1.097 450 F CA 1.324 59.291 58.000 -0.056 0.000 1.264 450 F CB -0.086 38.865 39.000 -0.082 0.000 1.001 450 F HN -0.184 nan 8.300 nan 0.000 0.479 451 R N -0.059 120.402 120.500 -0.065 0.000 2.127 451 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 451 R C 2.191 178.398 176.300 -0.155 0.000 1.134 451 R CA 1.706 57.711 56.100 -0.159 0.000 0.975 451 R CB -0.530 29.734 30.300 -0.061 0.000 0.865 451 R HN 0.480 nan 8.270 nan 0.000 0.447 452 Q N 0.146 119.895 119.800 -0.084 0.000 2.124 452 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 452 Q C 2.259 178.210 176.000 -0.082 0.000 0.977 452 Q CA 1.456 57.226 55.803 -0.055 0.000 0.850 452 Q CB -0.097 28.636 28.738 -0.008 0.000 0.901 452 Q HN 0.204 nan 8.270 nan 0.000 0.429 453 V N 0.634 120.474 119.914 -0.123 0.000 2.295 453 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 453 V C 2.337 178.306 176.094 -0.208 0.000 1.049 453 V CA 1.533 63.759 62.300 -0.124 0.000 1.024 453 V CB -0.543 31.222 31.823 -0.098 0.000 0.648 453 V HN 0.164 nan 8.190 nan 0.000 0.447 454 V N 0.983 120.659 119.914 -0.397 0.000 2.343 454 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 454 V C 2.729 178.729 176.094 -0.156 0.000 1.051 454 V CA 2.328 64.433 62.300 -0.325 0.000 1.036 454 V CB -0.815 30.756 31.823 -0.419 0.000 0.654 454 V HN 0.776 nan 8.190 nan 0.000 0.451 455 S N 0.720 116.343 115.700 -0.127 0.000 2.423 455 S HA -0.167 4.303 4.470 -0.000 0.000 0.231 455 S C 1.805 176.385 174.600 -0.033 0.000 1.014 455 S CA 1.593 59.760 58.200 -0.056 0.000 0.965 455 S CB -0.667 62.512 63.200 -0.035 0.000 0.785 455 S HN 0.739 nan 8.310 nan 0.000 0.495 456 T N -3.051 111.480 114.554 -0.039 0.000 3.122 456 T HA 0.315 4.665 4.350 -0.000 0.000 0.250 456 T C 1.089 175.778 174.700 -0.018 0.000 1.067 456 T CA 0.447 62.535 62.100 -0.019 0.000 0.966 456 T CB 0.192 69.054 68.868 -0.010 0.000 1.002 456 T HN 0.343 nan 8.240 nan 0.000 0.542 457 T N 1.073 115.610 114.554 -0.030 0.000 3.174 457 T HA 0.577 4.927 4.350 -0.000 0.000 0.252 457 T C 1.111 175.801 174.700 -0.016 0.000 0.984 457 T CA 0.260 62.349 62.100 -0.019 0.000 1.113 457 T CB -0.020 68.837 68.868 -0.019 0.000 1.088 457 T HN 0.580 nan 8.240 nan 0.000 0.442 458 A N 2.159 124.963 122.820 -0.027 0.000 2.346 458 A HA 0.415 4.735 4.320 -0.000 0.000 0.252 458 A C 0.261 177.844 177.584 -0.001 0.000 1.089 458 A CA -0.383 51.647 52.037 -0.013 0.000 0.797 458 A CB -0.096 18.892 19.000 -0.020 0.000 1.047 458 A HN 0.478 nan 8.150 nan 0.000 0.494 459 N N 0.960 119.664 118.700 0.007 0.000 2.420 459 N HA 0.292 5.032 4.740 -0.000 0.000 0.262 459 N C -1.292 174.232 175.510 0.024 0.000 1.144 459 N CA 0.002 53.059 53.050 0.012 0.000 0.952 459 N CB 0.060 38.555 38.487 0.013 0.000 1.081 459 N HN 0.504 nan 8.380 nan 0.000 0.480 460 L N 2.995 124.231 121.223 0.021 0.000 2.325 460 L HA 0.356 4.696 4.340 -0.000 0.000 0.281 460 L C -0.172 176.708 176.870 0.016 0.000 1.004 460 L CA -0.699 54.164 54.840 0.038 0.000 0.823 460 L CB 1.971 44.060 42.059 0.049 0.000 1.236 460 L HN 0.375 nan 8.230 nan 0.000 0.415 461 T N 0.740 115.314 114.554 0.033 0.000 2.770 461 T HA 0.281 4.631 4.350 -0.000 0.000 0.283 461 T C 0.106 174.763 174.700 -0.071 0.000 0.988 461 T CA -0.409 61.662 62.100 -0.048 0.000 0.957 461 T CB 1.410 70.263 68.868 -0.026 0.000 0.930 461 T HN 0.415 nan 8.240 nan 0.000 0.443 462 T N 4.235 118.679 114.554 -0.185 0.000 2.761 462 T HA 0.381 4.731 4.350 -0.000 0.000 0.296 462 T C -0.399 174.074 174.700 -0.378 0.000 0.934 462 T CA -0.056 61.951 62.100 -0.156 0.000 1.091 462 T CB -0.250 68.553 68.868 -0.109 0.000 0.896 462 T HN 0.330 nan 8.240 nan 0.000 0.515 463 F N 2.131 122.057 119.950 -0.039 0.000 2.388 463 F HA 0.319 4.846 4.527 -0.000 0.000 0.358 463 F C 1.148 176.929 175.800 -0.031 0.000 1.122 463 F CA -0.877 57.103 58.000 -0.034 0.000 1.056 463 F CB 1.213 40.191 39.000 -0.036 0.000 1.155 463 F HN 0.346 nan 8.300 nan 0.000 0.461 464 T N 5.710 120.310 114.554 0.076 0.000 2.806 464 T HA 0.260 4.610 4.350 -0.000 0.000 0.290 464 T C -2.386 172.352 174.700 0.064 0.000 0.966 464 T CA -1.363 60.766 62.100 0.047 0.000 1.060 464 T CB 0.833 69.706 68.868 0.008 0.000 0.927 464 T HN 0.226 nan 8.240 nan 0.000 0.485 465 P HA 0.062 nan 4.420 nan 0.000 0.265 465 P C -0.538 176.781 177.300 0.032 0.000 1.193 465 P CA -0.241 62.886 63.100 0.045 0.000 0.765 465 P CB 0.425 32.147 31.700 0.037 0.000 0.823 466 N N 4.499 123.214 118.700 0.024 0.000 2.558 466 N HA 0.185 4.925 4.740 -0.000 0.000 0.242 466 N C -1.704 173.805 175.510 -0.002 0.000 0.979 466 N CA -2.703 50.352 53.050 0.009 0.000 0.931 466 N CB 0.792 39.280 38.487 0.002 0.000 1.122 466 N HN 0.146 nan 8.380 nan 0.000 0.508 467 P HA 0.014 nan 4.420 nan 0.000 0.226 467 P C -0.307 177.025 177.300 0.053 0.000 1.153 467 P CA 0.900 64.017 63.100 0.030 0.000 0.777 467 P CB 0.530 32.252 31.700 0.037 0.000 0.794 468 D N -0.335 120.076 120.400 0.017 0.000 2.368 468 D HA 0.032 4.672 4.640 -0.000 0.000 0.218 468 D C 0.830 176.897 176.300 -0.388 0.000 1.112 468 D CA 0.248 54.267 54.000 0.032 0.000 0.834 468 D CB 0.218 41.079 40.800 0.103 0.000 0.953 468 D HN 0.236 nan 8.370 nan 0.000 0.505 469 S N -0.263 115.242 115.700 -0.325 0.000 2.593 469 S HA 0.118 4.588 4.470 -0.000 0.000 0.269 469 S C 1.363 175.657 174.600 -0.510 0.000 1.334 469 S CA -0.484 57.526 58.200 -0.318 0.000 1.015 469 S CB 2.230 65.350 63.200 -0.133 0.000 0.912 469 S HN 0.006 nan 8.310 nan 0.000 0.541 470 E N 0.452 120.478 120.200 -0.291 0.000 2.065 470 E HA -0.207 4.143 4.350 -0.000 0.000 0.201 470 E C 1.738 178.322 176.600 -0.026 0.000 1.016 470 E CA 1.755 58.067 56.400 -0.147 0.000 0.818 470 E CB -0.235 29.428 29.700 -0.062 0.000 0.749 470 E HN 0.779 nan 8.360 nan 0.000 0.453 471 I N 0.216 120.774 120.570 -0.020 0.000 2.394 471 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 471 I C 2.228 178.408 176.117 0.105 0.000 1.136 471 I CA 0.923 62.259 61.300 0.060 0.000 1.425 471 I CB -0.033 37.981 38.000 0.023 0.000 1.079 471 I HN 0.062 nan 8.210 nan 0.000 0.425 472 A N 0.065 122.901 122.820 0.026 0.000 1.883 472 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 472 A C 2.073 179.732 177.584 0.127 0.000 1.186 472 A CA 2.033 54.096 52.037 0.043 0.000 0.624 472 A CB -1.302 17.698 19.000 0.001 0.000 0.822 472 A HN 0.607 nan 8.150 nan 0.000 0.444 473 H N -3.262 115.833 119.070 0.042 0.000 2.319 473 H HA -0.209 4.347 4.556 -0.000 0.000 0.299 473 H C 2.101 177.454 175.328 0.041 0.000 1.092 473 H CA 1.710 57.776 56.048 0.029 0.000 1.302 473 H CB -0.248 29.536 29.762 0.037 0.000 1.373 473 H HN 0.673 nan 8.280 nan 0.000 0.497 474 Y N 1.320 121.686 120.300 0.110 0.000 2.128 474 Y HA -0.268 4.282 4.550 -0.000 0.000 0.284 474 Y C 2.423 178.351 175.900 0.045 0.000 1.154 474 Y CA 1.354 59.487 58.100 0.055 0.000 1.149 474 Y CB -0.407 38.071 38.460 0.030 0.000 0.976 474 Y HN -0.075 nan 8.280 nan 0.000 0.505 475 V N 0.259 120.239 119.914 0.110 0.000 2.358 475 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 475 V C 2.663 178.701 176.094 -0.092 0.000 1.047 475 V CA 1.608 63.931 62.300 0.038 0.000 1.035 475 V CB -1.479 30.399 31.823 0.092 0.000 0.658 475 V HN 0.579 nan 8.190 nan 0.000 0.452 476 A N -0.318 122.426 122.820 -0.128 0.000 1.917 476 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 476 A C 2.257 179.774 177.584 -0.111 0.000 1.182 476 A CA 2.305 54.228 52.037 -0.190 0.000 0.633 476 A CB -0.634 18.309 19.000 -0.095 0.000 0.819 476 A HN 0.488 nan 8.150 nan 0.000 0.448 477 L N -0.155 121.004 121.223 -0.106 0.000 2.046 477 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 477 L C 2.358 179.156 176.870 -0.120 0.000 1.077 477 L CA 1.895 56.664 54.840 -0.119 0.000 0.747 477 L CB -0.402 41.564 42.059 -0.155 0.000 0.896 477 L HN 0.618 nan 8.230 nan 0.000 0.432 478 I N -3.678 116.788 120.570 -0.172 0.000 2.614 478 I HA -0.206 3.964 4.170 -0.000 0.000 0.258 478 I C 2.082 178.206 176.117 0.012 0.000 1.189 478 I CA 1.381 62.608 61.300 -0.122 0.000 1.462 478 I CB -1.040 36.850 38.000 -0.184 0.000 1.092 478 I HN 0.136 nan 8.210 nan 0.000 0.442 479 H N 1.352 120.356 119.070 -0.111 0.000 2.421 479 H HA 0.101 4.657 4.556 -0.000 0.000 0.298 479 H C 1.318 176.606 175.328 -0.067 0.000 1.087 479 H CA 0.690 56.688 56.048 -0.084 0.000 1.330 479 H CB -0.273 29.445 29.762 -0.074 0.000 1.388 479 H HN 0.686 nan 8.280 nan 0.000 0.526 480 S N 0.000 115.729 115.700 0.048 0.000 2.498 480 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 480 S CA 0.000 58.203 58.200 0.006 0.000 1.107 480 S CB 0.000 63.205 63.200 0.009 0.000 0.593 480 S HN 0.000 nan 8.310 nan 0.000 0.517