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 3jt1_1_A DATA FIRST_RESID 5 DATA SEQUENCE RSNELSKLRM RFFSALNHTS EIDLHTLFDN LKSNLTLGSI EHLQEGSVTY DATA SEQUENCE AIIQELLKGA DAQKKIESFL KGAIKNVIHP GVIKGLTPNE INWNVAKAYP DATA SEQUENCE EYYEHEKLPD VTFGGFKVRD SNEFKFKTNV QTSIWFSIKP ELFMPSKQQE DATA SEQUENCE ALKRRREQYP GCKIRLIYSS SLLNPEANRQ MKAFAKKQNI SLIDIDSVKT DATA SEQUENCE DSPLYPLIKA ELANLGMGGN PAAASDLCRW IPELFNEGFY VDIDLPVDSS DATA SEQUENCE KIVEGHQITG GVPIMLNMGS IISEPIAPHH RRQEAVCMNT DIIAYANDRE DATA SEQUENCE TQVMMDTVAL HLKNIYDDPY TALKDTPLAQ TAFFNRCEEE GKNIFELRKG DATA SEQUENCE LQDAFRSDSL LELYVFLGPA KFKEVFKLKE TQIKYIDDHI SEFNEHDLLL DATA SEQUENCE HLISDNPSEI XXXXLDFGRA KVMYMDIAKE HYSAFYKPLV EEISGPGAIY DATA SEQUENCE NALGGASNFT TTHRRSTGPM LPTTPPRVLQ VFCDAHDKGP FVSDNIARWQ DATA SEQUENCE TNVRELGVL 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.305 176.300 0.009 0.000 0.893 5 R CA 0.000 56.105 56.100 0.009 0.000 0.921 5 R CB 0.000 30.304 30.300 0.006 0.000 0.687 6 S N -0.002 115.705 115.700 0.010 0.000 2.357 6 S HA 0.342 4.815 4.470 0.005 0.000 0.209 6 S C 0.211 174.818 174.600 0.012 0.000 0.981 6 S CA 0.467 58.675 58.200 0.014 0.000 1.106 6 S CB 0.051 63.263 63.200 0.021 0.000 1.266 6 S HN 0.436 nan 8.310 nan 0.000 0.410 7 N N 2.328 121.033 118.700 0.008 0.000 2.494 7 N HA 0.044 4.787 4.740 0.005 0.000 0.182 7 N C 1.296 176.811 175.510 0.010 0.000 1.076 7 N CA 1.049 54.102 53.050 0.004 0.000 0.908 7 N CB -0.427 38.061 38.487 0.001 0.000 0.967 7 N HN 0.800 nan 8.380 nan 0.000 0.449 8 E N -0.646 119.565 120.200 0.018 0.000 2.076 8 E HA -0.014 4.339 4.350 0.005 0.000 0.190 8 E C 1.869 178.495 176.600 0.044 0.000 0.979 8 E CA 0.669 57.086 56.400 0.028 0.000 0.807 8 E CB -0.047 29.670 29.700 0.028 0.000 0.761 8 E HN 0.493 nan 8.360 nan 0.000 0.454 9 L N 0.741 121.995 121.223 0.051 0.000 2.131 9 L HA -0.163 4.180 4.340 0.005 0.000 0.210 9 L C 2.344 179.248 176.870 0.056 0.000 1.092 9 L CA 1.489 56.382 54.840 0.088 0.000 0.759 9 L CB -0.374 41.740 42.059 0.093 0.000 0.903 9 L HN -0.037 nan 8.230 nan 0.000 0.435 10 S N -0.899 114.808 115.700 0.011 0.000 2.383 10 S HA -0.172 4.300 4.470 0.005 0.000 0.227 10 S C 2.285 176.858 174.600 -0.044 0.000 1.026 10 S CA 1.435 59.611 58.200 -0.039 0.000 0.981 10 S CB -0.174 63.003 63.200 -0.038 0.000 0.818 10 S HN 0.575 nan 8.310 nan 0.000 0.472 11 K N 1.161 121.557 120.400 -0.006 0.000 2.057 11 K HA 0.021 4.344 4.320 0.005 0.000 0.207 11 K C 1.948 178.565 176.600 0.029 0.000 1.049 11 K CA 1.607 57.897 56.287 0.006 0.000 0.931 11 K CB -1.420 31.091 32.500 0.018 0.000 0.714 11 K HN 0.349 nan 8.250 nan 0.000 0.440 12 L N 0.894 122.156 121.223 0.065 0.000 1.990 12 L HA -0.108 4.235 4.340 0.005 0.000 0.213 12 L C 2.663 179.591 176.870 0.096 0.000 1.072 12 L CA 2.419 57.343 54.840 0.141 0.000 0.755 12 L CB -0.645 41.546 42.059 0.220 0.000 0.889 12 L HN 0.529 nan 8.230 nan 0.000 0.432 13 R N -1.452 118.948 120.500 -0.166 0.000 2.081 13 R HA -0.159 4.184 4.340 0.005 0.000 0.235 13 R C 2.275 178.477 176.300 -0.163 0.000 1.131 13 R CA 1.781 57.527 56.100 -0.590 0.000 0.960 13 R CB -0.175 29.645 30.300 -0.801 0.000 0.856 13 R HN 0.358 nan 8.270 nan 0.000 0.436 14 M N -0.272 119.254 119.600 -0.123 0.000 2.132 14 M HA -0.131 4.352 4.480 0.005 0.000 0.263 14 M C 2.262 178.595 176.300 0.055 0.000 1.065 14 M CA 1.314 56.581 55.300 -0.054 0.000 1.122 14 M CB -0.225 32.344 32.600 -0.051 0.000 1.365 14 M HN 0.079 nan 8.290 nan 0.000 0.411 15 R N -0.121 120.421 120.500 0.071 0.000 2.091 15 R HA -0.157 4.186 4.340 0.005 0.000 0.238 15 R C 2.066 178.446 176.300 0.133 0.000 1.136 15 R CA 1.654 57.808 56.100 0.089 0.000 0.959 15 R CB -1.027 29.330 30.300 0.095 0.000 0.856 15 R HN 0.354 nan 8.270 nan 0.000 0.437 16 F N 0.366 120.349 119.950 0.056 0.000 2.069 16 F HA -0.233 4.297 4.527 0.006 0.000 0.298 16 F C 2.100 177.898 175.800 -0.004 0.000 1.113 16 F CA 1.640 59.682 58.000 0.069 0.000 1.214 16 F CB -0.427 38.671 39.000 0.163 0.000 0.978 16 F HN -0.099 nan 8.300 nan 0.000 0.474 17 F N -0.600 119.274 119.950 -0.126 0.000 2.134 17 F HA -0.236 4.294 4.527 0.005 0.000 0.299 17 F C 2.904 178.304 175.800 -0.667 0.000 1.097 17 F CA 1.371 59.172 58.000 -0.332 0.000 1.264 17 F CB -1.020 37.853 39.000 -0.213 0.000 1.001 17 F HN 0.021 nan 8.300 nan 0.000 0.479 18 S N 0.206 115.713 115.700 -0.321 0.000 2.359 18 S HA -0.286 4.187 4.470 0.005 0.000 0.222 18 S C 2.338 176.803 174.600 -0.225 0.000 1.038 18 S CA 1.456 59.467 58.200 -0.316 0.000 1.051 18 S CB -0.711 62.472 63.200 -0.029 0.000 0.944 18 S HN 0.331 nan 8.310 nan 0.000 0.433 19 A N 1.264 123.981 122.820 -0.172 0.000 1.927 19 A HA -0.036 4.287 4.320 0.005 0.000 0.220 19 A C 1.923 179.441 177.584 -0.109 0.000 1.185 19 A CA 1.698 53.648 52.037 -0.145 0.000 0.639 19 A CB -0.758 18.157 19.000 -0.141 0.000 0.820 19 A HN 0.618 nan 8.150 nan 0.000 0.451 20 L N -1.246 119.813 121.223 -0.274 0.000 2.728 20 L HA 0.139 4.481 4.340 0.005 0.000 0.235 20 L C 0.610 177.396 176.870 -0.141 0.000 1.197 20 L CA 0.240 54.947 54.840 -0.221 0.000 0.992 20 L CB -0.613 41.151 42.059 -0.492 0.000 1.263 20 L HN 0.560 nan 8.230 nan 0.000 0.484 21 N N 1.349 119.988 118.700 -0.103 0.000 2.776 21 N HA -0.257 4.486 4.740 0.005 0.000 0.249 21 N C 0.315 175.853 175.510 0.046 0.000 1.111 21 N CA 0.453 53.513 53.050 0.016 0.000 0.711 21 N CB -1.402 37.173 38.487 0.147 0.000 1.065 21 N HN 0.535 nan 8.380 nan 0.000 0.556 22 H N -2.271 116.817 119.070 0.030 0.000 2.684 22 H HA -0.218 4.340 4.556 0.004 0.000 0.309 22 H C 0.483 175.836 175.328 0.041 0.000 1.102 22 H CA 1.585 57.680 56.048 0.080 0.000 1.147 22 H CB -2.109 27.719 29.762 0.111 0.000 1.391 22 H HN 0.523 nan 8.280 nan 0.000 0.398 23 T N 0.408 114.975 114.554 0.023 0.000 2.918 23 T HA 0.256 4.609 4.350 0.005 0.000 0.302 23 T C 1.153 175.870 174.700 0.028 0.000 1.045 23 T CA 0.301 62.408 62.100 0.013 0.000 1.114 23 T CB 0.554 69.390 68.868 -0.052 0.000 0.965 23 T HN 0.453 nan 8.240 nan 0.000 0.540 24 S N 2.426 118.150 115.700 0.041 0.000 2.754 24 S HA 0.294 4.767 4.470 0.005 0.000 0.247 24 S C 0.968 175.582 174.600 0.023 0.000 1.031 24 S CA -0.634 57.595 58.200 0.049 0.000 1.014 24 S CB 0.168 63.412 63.200 0.074 0.000 0.918 24 S HN 0.804 nan 8.310 nan 0.000 0.519 25 E N 1.267 121.466 120.200 -0.001 0.000 2.347 25 E HA 0.101 4.454 4.350 0.005 0.000 0.196 25 E C 0.852 177.445 176.600 -0.012 0.000 1.008 25 E CA 0.827 57.220 56.400 -0.012 0.000 0.852 25 E CB 0.001 29.683 29.700 -0.031 0.000 0.783 25 E HN 0.822 nan 8.360 nan 0.000 0.505 26 I N -3.528 117.035 120.570 -0.012 0.000 3.457 26 I HA 0.405 4.578 4.170 0.005 0.000 0.307 26 I C -0.703 175.431 176.117 0.028 0.000 1.138 26 I CA -1.197 60.103 61.300 0.001 0.000 0.974 26 I CB 1.747 39.739 38.000 -0.014 0.000 1.324 26 I HN -0.394 nan 8.210 nan 0.000 0.485 27 D N 1.526 121.957 120.400 0.051 0.000 2.454 27 D HA 0.374 5.017 4.640 0.005 0.000 0.225 27 D C 0.432 176.797 176.300 0.109 0.000 1.081 27 D CA -0.266 53.802 54.000 0.113 0.000 0.864 27 D CB 1.474 42.343 40.800 0.114 0.000 1.040 27 D HN 0.676 nan 8.370 nan 0.000 0.517 28 L N 3.248 124.498 121.223 0.046 0.000 2.291 28 L HA -0.078 4.265 4.340 0.005 0.000 0.214 28 L C 2.130 178.975 176.870 -0.043 0.000 1.120 28 L CA 0.441 55.168 54.840 -0.187 0.000 0.799 28 L CB -0.198 41.356 42.059 -0.842 0.000 0.925 28 L HN 0.521 nan 8.230 nan 0.000 0.446 29 H N -0.911 118.273 119.070 0.189 0.000 2.353 29 H HA -0.128 4.431 4.556 0.005 0.000 0.300 29 H C 2.104 177.573 175.328 0.235 0.000 1.090 29 H CA 1.843 58.097 56.048 0.344 0.000 1.327 29 H CB -0.056 29.883 29.762 0.295 0.000 1.383 29 H HN 0.317 nan 8.280 nan 0.000 0.508 30 T N 1.352 116.064 114.554 0.262 0.000 2.937 30 T HA -0.058 4.295 4.350 0.005 0.000 0.260 30 T C 2.173 176.928 174.700 0.092 0.000 1.051 30 T CA 0.387 62.579 62.100 0.152 0.000 1.141 30 T CB -0.248 68.685 68.868 0.109 0.000 0.879 30 T HN 0.052 nan 8.240 nan 0.000 0.459 31 L N 0.962 122.246 121.223 0.101 0.000 1.994 31 L HA 0.050 4.393 4.340 0.005 0.000 0.208 31 L C 2.015 178.862 176.870 -0.037 0.000 1.071 31 L CA 1.686 56.568 54.840 0.070 0.000 0.745 31 L CB -0.907 41.240 42.059 0.146 0.000 0.892 31 L HN 0.263 nan 8.230 nan 0.000 0.431 32 F N 0.673 120.507 119.950 -0.194 0.000 2.043 32 F HA -0.333 4.197 4.527 0.004 0.000 0.297 32 F C 2.212 177.856 175.800 -0.260 0.000 1.121 32 F CA 2.201 59.920 58.000 -0.469 0.000 1.199 32 F CB -0.435 38.389 39.000 -0.293 0.000 0.968 32 F HN 0.227 nan 8.300 nan 0.000 0.478 33 D N 0.338 120.680 120.400 -0.097 0.000 2.133 33 D HA -0.233 4.410 4.640 0.005 0.000 0.192 33 D C 1.805 177.977 176.300 -0.213 0.000 1.001 33 D CA 1.661 55.580 54.000 -0.134 0.000 0.844 33 D CB -0.686 40.146 40.800 0.054 0.000 0.944 33 D HN 0.352 nan 8.370 nan 0.000 0.447 34 N N -0.197 118.411 118.700 -0.154 0.000 2.396 34 N HA -0.007 4.736 4.740 0.005 0.000 0.180 34 N C 1.704 177.100 175.510 -0.190 0.000 1.028 34 N CA 0.258 53.230 53.050 -0.130 0.000 0.893 34 N CB 0.062 38.513 38.487 -0.059 0.000 0.967 34 N HN 0.292 nan 8.380 nan 0.000 0.440 35 L N 0.753 121.793 121.223 -0.304 0.000 2.554 35 L HA 0.115 4.458 4.340 0.005 0.000 0.225 35 L C 2.046 178.675 176.870 -0.402 0.000 1.104 35 L CA 0.161 54.812 54.840 -0.314 0.000 0.866 35 L CB -0.045 41.831 42.059 -0.305 0.000 1.047 35 L HN 0.146 nan 8.230 nan 0.000 0.468 36 K N 0.413 120.474 120.400 -0.565 0.000 2.283 36 K HA -0.095 4.227 4.320 0.005 0.000 0.202 36 K C 2.080 178.496 176.600 -0.307 0.000 1.048 36 K CA 1.410 57.347 56.287 -0.583 0.000 0.948 36 K CB -0.311 31.701 32.500 -0.813 0.000 0.742 36 K HN 0.248 nan 8.250 nan 0.000 0.458 37 S N 0.973 116.534 115.700 -0.231 0.000 2.419 37 S HA -0.191 4.282 4.470 0.005 0.000 0.235 37 S C 1.360 175.865 174.600 -0.158 0.000 1.019 37 S CA 1.215 59.320 58.200 -0.159 0.000 0.982 37 S CB -0.434 62.692 63.200 -0.123 0.000 0.789 37 S HN 0.556 nan 8.310 nan 0.000 0.490 38 N N -0.110 118.481 118.700 -0.181 0.000 2.433 38 N HA 0.269 5.012 4.740 0.005 0.000 0.270 38 N C -1.342 174.057 175.510 -0.184 0.000 1.354 38 N CA -0.213 52.723 53.050 -0.189 0.000 0.889 38 N CB 0.441 38.826 38.487 -0.171 0.000 1.285 38 N HN 0.277 nan 8.380 nan 0.000 0.503 39 L N 1.536 122.660 121.223 -0.166 0.000 2.356 39 L HA 0.479 4.822 4.340 0.005 0.000 0.277 39 L C -0.047 176.802 176.870 -0.035 0.000 0.996 39 L CA -0.196 54.583 54.840 -0.103 0.000 0.822 39 L CB 1.538 43.489 42.059 -0.179 0.000 1.256 39 L HN 0.081 nan 8.230 nan 0.000 0.413 40 T N 1.067 115.645 114.554 0.040 0.000 2.942 40 T HA 0.427 4.780 4.350 0.005 0.000 0.289 40 T C 1.252 176.019 174.700 0.111 0.000 1.044 40 T CA -0.758 61.389 62.100 0.079 0.000 1.023 40 T CB 1.018 69.958 68.868 0.120 0.000 1.123 40 T HN 0.517 nan 8.240 nan 0.000 0.512 41 L N 1.149 122.432 121.223 0.099 0.000 2.042 41 L HA 0.070 4.413 4.340 0.005 0.000 0.210 41 L C 2.907 179.831 176.870 0.090 0.000 1.076 41 L CA 1.866 56.763 54.840 0.095 0.000 0.749 41 L CB -0.814 41.285 42.059 0.068 0.000 0.893 41 L HN 1.024 nan 8.230 nan 0.000 0.432 42 G N -1.797 107.060 108.800 0.095 0.000 2.470 42 G HA2 -0.204 3.759 3.960 0.005 0.000 0.220 42 G HA3 -0.204 3.759 3.960 0.005 0.000 0.220 42 G C 1.699 176.697 174.900 0.164 0.000 1.121 42 G CA 0.916 46.076 45.100 0.100 0.000 0.766 42 G HN 0.350 nan 8.290 nan 0.000 0.553 43 S N -0.056 115.754 115.700 0.184 0.000 2.446 43 S HA 0.096 4.568 4.470 0.005 0.000 0.225 43 S C 2.177 176.895 174.600 0.197 0.000 1.016 43 S CA 0.068 58.411 58.200 0.237 0.000 0.943 43 S CB -0.024 63.293 63.200 0.195 0.000 0.786 43 S HN 0.355 nan 8.310 nan 0.000 0.508 44 I N 1.741 122.393 120.570 0.136 0.000 2.252 44 I HA -0.149 4.024 4.170 0.005 0.000 0.245 44 I C 2.502 178.617 176.117 -0.002 0.000 1.102 44 I CA 1.016 62.385 61.300 0.115 0.000 1.385 44 I CB -0.242 37.850 38.000 0.154 0.000 1.064 44 I HN 0.294 nan 8.210 nan 0.000 0.414 45 E N 0.458 120.597 120.200 -0.101 0.000 2.197 45 E HA -0.295 4.058 4.350 0.005 0.000 0.205 45 E C 1.509 177.857 176.600 -0.420 0.000 1.029 45 E CA 1.518 57.743 56.400 -0.293 0.000 0.828 45 E CB -0.071 29.374 29.700 -0.425 0.000 0.737 45 E HN 0.620 nan 8.360 nan 0.000 0.464 46 H N -1.238 117.836 119.070 0.007 0.000 2.533 46 H HA 0.027 4.586 4.556 0.004 0.000 0.271 46 H C 1.135 176.471 175.328 0.014 0.000 1.000 46 H CA 0.257 56.306 56.048 0.002 0.000 1.149 46 H CB 0.491 30.254 29.762 0.001 0.000 1.375 46 H HN 0.145 nan 8.280 nan 0.000 0.582 47 L N 0.268 121.527 121.223 0.061 0.000 2.590 47 L HA 0.124 4.467 4.340 0.005 0.000 0.227 47 L C 0.895 177.814 176.870 0.081 0.000 1.099 47 L CA 0.534 55.415 54.840 0.068 0.000 0.872 47 L CB 0.266 42.345 42.059 0.033 0.000 1.088 47 L HN 0.068 nan 8.230 nan 0.000 0.479 48 Q N 0.262 120.051 119.800 -0.019 0.000 2.443 48 Q HA 0.085 4.428 4.340 0.005 0.000 0.232 48 Q C 0.208 176.004 176.000 -0.340 0.000 1.026 48 Q CA -0.178 55.546 55.803 -0.132 0.000 0.924 48 Q CB 0.617 29.255 28.738 -0.166 0.000 1.256 48 Q HN 0.115 nan 8.270 nan 0.000 0.519 49 E N -0.357 119.334 120.200 -0.848 0.000 2.502 49 E HA -0.030 4.323 4.350 0.005 0.000 0.261 49 E C 0.468 176.789 176.600 -0.464 0.000 0.974 49 E CA 1.047 56.736 56.400 -1.186 0.000 0.936 49 E CB -0.072 29.056 29.700 -0.954 0.000 0.926 49 E HN 0.755 nan 8.360 nan 0.000 0.459 50 G N 2.905 111.533 108.800 -0.287 0.000 2.234 50 G HA2 -0.295 3.668 3.960 0.005 0.000 0.235 50 G HA3 -0.295 3.668 3.960 0.005 0.000 0.235 50 G C 0.139 175.010 174.900 -0.048 0.000 0.997 50 G CA 0.263 45.291 45.100 -0.119 0.000 0.623 50 G HN 0.923 nan 8.290 nan 0.000 0.514 51 S N -0.528 115.158 115.700 -0.024 0.000 2.687 51 S HA 0.711 5.184 4.470 0.005 0.000 0.283 51 S C 1.259 175.896 174.600 0.060 0.000 1.170 51 S CA 0.044 58.262 58.200 0.029 0.000 1.008 51 S CB 2.252 65.484 63.200 0.054 0.000 1.026 51 S HN 0.671 nan 8.310 nan 0.000 0.541 52 V N 1.537 121.440 119.914 -0.018 0.000 2.515 52 V HA -0.118 4.005 4.120 0.005 0.000 0.250 52 V C 2.567 178.667 176.094 0.010 0.000 1.058 52 V CA 2.327 64.534 62.300 -0.155 0.000 1.064 52 V CB -1.284 30.288 31.823 -0.419 0.000 0.675 52 V HN 1.051 nan 8.190 nan 0.000 0.461 53 T N -1.076 113.536 114.554 0.096 0.000 2.737 53 T HA -0.215 4.138 4.350 0.005 0.000 0.265 53 T C 1.736 176.546 174.700 0.184 0.000 1.038 53 T CA 1.845 64.065 62.100 0.200 0.000 1.144 53 T CB -0.365 68.584 68.868 0.134 0.000 0.866 53 T HN 0.552 nan 8.240 nan 0.000 0.434 54 Y N 1.972 122.291 120.300 0.031 0.000 2.165 54 Y HA -0.155 4.398 4.550 0.004 0.000 0.286 54 Y C 2.527 178.428 175.900 0.002 0.000 1.155 54 Y CA 1.273 59.371 58.100 -0.004 0.000 1.164 54 Y CB -0.495 37.951 38.460 -0.024 0.000 0.978 54 Y HN 0.195 nan 8.280 nan 0.000 0.513 55 A N -0.115 122.841 122.820 0.227 0.000 1.969 55 A HA -0.114 4.209 4.320 0.005 0.000 0.218 55 A C 2.216 179.824 177.584 0.040 0.000 1.169 55 A CA 1.654 53.798 52.037 0.178 0.000 0.635 55 A CB -0.980 18.204 19.000 0.306 0.000 0.810 55 A HN 0.574 nan 8.150 nan 0.000 0.445 56 I N -0.294 120.282 120.570 0.010 0.000 2.252 56 I HA -0.248 3.925 4.170 0.005 0.000 0.245 56 I C 2.249 178.145 176.117 -0.368 0.000 1.102 56 I CA 1.225 62.400 61.300 -0.209 0.000 1.385 56 I CB -0.324 37.419 38.000 -0.430 0.000 1.064 56 I HN 0.289 nan 8.210 nan 0.000 0.414 57 I N 0.377 120.774 120.570 -0.287 0.000 2.208 57 I HA -0.312 3.860 4.170 0.005 0.000 0.245 57 I C 2.631 178.562 176.117 -0.310 0.000 1.097 57 I CA 1.164 62.289 61.300 -0.293 0.000 1.363 57 I CB -0.447 37.406 38.000 -0.245 0.000 1.051 57 I HN 0.322 nan 8.210 nan 0.000 0.413 58 Q N 0.467 120.070 119.800 -0.327 0.000 2.135 58 Q HA -0.206 4.137 4.340 0.005 0.000 0.204 58 Q C 2.064 177.959 176.000 -0.174 0.000 0.981 58 Q CA 1.383 57.036 55.803 -0.250 0.000 0.856 58 Q CB -0.458 28.162 28.738 -0.197 0.000 0.902 58 Q HN 0.508 nan 8.270 nan 0.000 0.425 59 E N 0.328 120.424 120.200 -0.172 0.000 2.152 59 E HA -0.005 4.348 4.350 0.005 0.000 0.192 59 E C 2.183 178.669 176.600 -0.191 0.000 0.983 59 E CA 0.302 56.611 56.400 -0.151 0.000 0.818 59 E CB -0.013 29.608 29.700 -0.132 0.000 0.758 59 E HN 0.344 nan 8.360 nan 0.000 0.467 60 L N 0.391 121.447 121.223 -0.277 0.000 2.141 60 L HA -0.097 4.246 4.340 0.005 0.000 0.209 60 L C 2.387 179.151 176.870 -0.176 0.000 1.094 60 L CA 0.485 55.158 54.840 -0.279 0.000 0.763 60 L CB -0.294 41.526 42.059 -0.398 0.000 0.908 60 L HN 0.106 nan 8.230 nan 0.000 0.437 61 L N -0.369 120.757 121.223 -0.162 0.000 2.265 61 L HA -0.203 4.140 4.340 0.005 0.000 0.215 61 L C 2.167 178.986 176.870 -0.085 0.000 1.117 61 L CA 1.175 55.945 54.840 -0.116 0.000 0.782 61 L CB -0.370 41.616 42.059 -0.122 0.000 0.914 61 L HN 0.215 nan 8.230 nan 0.000 0.441 62 K N 0.016 120.364 120.400 -0.086 0.000 2.459 62 K HA 0.078 4.401 4.320 0.005 0.000 0.193 62 K C 1.044 177.613 176.600 -0.051 0.000 1.030 62 K CA 0.113 56.364 56.287 -0.060 0.000 1.026 62 K CB 0.086 32.553 32.500 -0.056 0.000 0.809 62 K HN 0.257 nan 8.250 nan 0.000 0.504 63 G N 0.663 109.425 108.800 -0.062 0.000 2.448 63 G HA2 0.475 4.438 3.960 0.005 0.000 0.285 63 G HA3 0.475 4.438 3.960 0.005 0.000 0.285 63 G C -0.585 174.294 174.900 -0.034 0.000 1.176 63 G CA -0.673 44.398 45.100 -0.047 0.000 0.852 63 G HN 0.201 nan 8.290 nan 0.000 0.530 64 A N 0.918 123.726 122.820 -0.020 0.000 2.531 64 A HA 0.414 4.737 4.320 0.005 0.000 0.236 64 A C 0.924 178.502 177.584 -0.010 0.000 1.062 64 A CA 1.039 53.069 52.037 -0.011 0.000 0.760 64 A CB -0.121 18.876 19.000 -0.004 0.000 0.995 64 A HN 1.304 nan 8.150 nan 0.000 0.501 65 D N -0.106 120.291 120.400 -0.006 0.000 2.947 65 D HA -0.177 4.465 4.640 0.005 0.000 0.224 65 D C 1.067 177.363 176.300 -0.007 0.000 1.132 65 D CA 1.625 55.625 54.000 -0.000 0.000 0.801 65 D CB -1.269 39.537 40.800 0.009 0.000 1.097 65 D HN 0.969 nan 8.370 nan 0.000 0.431 66 A N -0.260 122.547 122.820 -0.020 0.000 1.892 66 A HA -0.289 4.034 4.320 0.005 0.000 0.218 66 A C 2.020 179.591 177.584 -0.022 0.000 1.188 66 A CA 2.483 54.497 52.037 -0.037 0.000 0.631 66 A CB -0.554 18.419 19.000 -0.046 0.000 0.822 66 A HN 0.462 nan 8.150 nan 0.000 0.447 67 Q N -0.493 119.304 119.800 -0.006 0.000 2.061 67 Q HA -0.225 4.117 4.340 0.005 0.000 0.204 67 Q C 2.074 178.086 176.000 0.020 0.000 0.984 67 Q CA 2.483 58.292 55.803 0.009 0.000 0.846 67 Q CB -0.176 28.572 28.738 0.016 0.000 0.902 67 Q HN 0.548 nan 8.270 nan 0.000 0.421 68 K N 0.059 120.472 120.400 0.022 0.000 2.076 68 K HA -0.012 4.311 4.320 0.005 0.000 0.204 68 K C 1.750 178.379 176.600 0.048 0.000 1.051 68 K CA 1.364 57.670 56.287 0.033 0.000 0.949 68 K CB 0.022 32.541 32.500 0.031 0.000 0.726 68 K HN 0.102 nan 8.250 nan 0.000 0.443 69 K N 0.184 120.608 120.400 0.039 0.000 2.057 69 K HA -0.079 4.244 4.320 0.005 0.000 0.207 69 K C 2.142 178.783 176.600 0.068 0.000 1.049 69 K CA 1.721 58.041 56.287 0.055 0.000 0.931 69 K CB -0.266 32.239 32.500 0.009 0.000 0.714 69 K HN 0.153 nan 8.250 nan 0.000 0.440 70 I N 1.170 121.756 120.570 0.026 0.000 2.226 70 I HA -0.278 3.895 4.170 0.005 0.000 0.245 70 I C 2.636 178.826 176.117 0.122 0.000 1.100 70 I CA 1.272 62.611 61.300 0.065 0.000 1.374 70 I CB -0.183 37.821 38.000 0.008 0.000 1.057 70 I HN 0.273 nan 8.210 nan 0.000 0.413 71 E N 0.625 120.873 120.200 0.080 0.000 2.077 71 E HA -0.201 4.151 4.350 0.005 0.000 0.193 71 E C 2.241 178.885 176.600 0.073 0.000 0.989 71 E CA 1.667 58.106 56.400 0.065 0.000 0.800 71 E CB 0.112 29.836 29.700 0.040 0.000 0.746 71 E HN 0.410 nan 8.360 nan 0.000 0.452 72 S N 0.531 116.295 115.700 0.106 0.000 2.348 72 S HA -0.167 4.305 4.470 0.005 0.000 0.221 72 S C 1.575 176.280 174.600 0.175 0.000 1.033 72 S CA 1.283 59.559 58.200 0.127 0.000 1.010 72 S CB -0.617 62.674 63.200 0.152 0.000 0.891 72 S HN 0.447 nan 8.310 nan 0.000 0.442 73 F N 2.267 122.258 119.950 0.067 0.000 2.065 73 F HA -0.197 4.333 4.527 0.006 0.000 0.298 73 F C 1.952 177.727 175.800 -0.042 0.000 1.112 73 F CA 1.501 59.515 58.000 0.023 0.000 1.212 73 F CB -0.261 38.700 39.000 -0.066 0.000 0.975 73 F HN 0.091 nan 8.300 nan 0.000 0.476 74 L N 0.093 121.167 121.223 -0.248 0.000 2.093 74 L HA -0.201 4.142 4.340 0.005 0.000 0.208 74 L C 2.526 179.284 176.870 -0.187 0.000 1.085 74 L CA 1.391 56.030 54.840 -0.335 0.000 0.755 74 L CB -0.659 41.346 42.059 -0.090 0.000 0.904 74 L HN 0.157 nan 8.230 nan 0.000 0.435 75 K N -0.048 120.301 120.400 -0.085 0.000 2.032 75 K HA -0.167 4.156 4.320 0.005 0.000 0.209 75 K C 2.056 178.626 176.600 -0.050 0.000 1.048 75 K CA 1.497 57.750 56.287 -0.058 0.000 0.927 75 K CB -0.396 32.090 32.500 -0.024 0.000 0.712 75 K HN 0.394 nan 8.250 nan 0.000 0.441 76 G N 0.404 109.191 108.800 -0.021 0.000 2.404 76 G HA2 -0.241 3.722 3.960 0.005 0.000 0.215 76 G HA3 -0.241 3.722 3.960 0.005 0.000 0.215 76 G C 1.553 176.472 174.900 0.032 0.000 1.174 76 G CA 0.923 46.054 45.100 0.051 0.000 0.780 76 G HN 0.388 nan 8.290 nan 0.000 0.537 77 A N 0.779 123.509 122.820 -0.149 0.000 1.877 77 A HA 0.052 4.375 4.320 0.005 0.000 0.216 77 A C 2.410 179.929 177.584 -0.109 0.000 1.186 77 A CA 1.353 53.267 52.037 -0.204 0.000 0.620 77 A CB -0.392 18.202 19.000 -0.677 0.000 0.822 77 A HN 0.362 nan 8.150 nan 0.000 0.443 78 I N -0.521 119.978 120.570 -0.118 0.000 2.226 78 I HA -0.251 3.922 4.170 0.005 0.000 0.245 78 I C 2.586 178.713 176.117 0.016 0.000 1.100 78 I CA 1.769 63.050 61.300 -0.032 0.000 1.374 78 I CB -0.191 37.790 38.000 -0.032 0.000 1.057 78 I HN 0.323 nan 8.210 nan 0.000 0.413 79 K N 0.795 121.191 120.400 -0.007 0.000 2.062 79 K HA -0.114 4.208 4.320 0.005 0.000 0.205 79 K C 1.464 178.087 176.600 0.037 0.000 1.051 79 K CA 1.343 57.634 56.287 0.006 0.000 0.941 79 K CB 0.044 32.535 32.500 -0.017 0.000 0.719 79 K HN 0.323 nan 8.250 nan 0.000 0.440 80 N N -0.179 118.539 118.700 0.031 0.000 2.325 80 N HA -0.005 4.738 4.740 0.005 0.000 0.182 80 N C 1.262 176.785 175.510 0.022 0.000 1.088 80 N CA 0.410 53.476 53.050 0.027 0.000 0.879 80 N CB 1.110 39.609 38.487 0.020 0.000 0.983 80 N HN 0.021 nan 8.380 nan 0.000 0.471 81 V N -0.132 119.797 119.914 0.025 0.000 3.177 81 V HA 0.210 4.333 4.120 0.005 0.000 0.219 81 V C 1.900 177.978 176.094 -0.026 0.000 1.344 81 V CA 0.005 62.309 62.300 0.007 0.000 1.324 81 V CB 0.386 32.231 31.823 0.038 0.000 1.165 81 V HN -0.069 nan 8.190 nan 0.000 0.510 82 I N 0.397 120.952 120.570 -0.026 0.000 2.235 82 I HA -0.140 4.033 4.170 0.005 0.000 0.241 82 I C 2.551 178.636 176.117 -0.054 0.000 1.085 82 I CA 2.019 63.274 61.300 -0.074 0.000 1.378 82 I CB -0.314 37.667 38.000 -0.031 0.000 1.076 82 I HN 0.449 nan 8.210 nan 0.000 0.415 83 H N 1.713 120.757 119.070 -0.044 0.000 2.357 83 H HA -0.078 4.481 4.556 0.005 0.000 0.301 83 H C -0.894 174.419 175.328 -0.026 0.000 1.082 83 H CA 1.732 57.765 56.048 -0.025 0.000 1.342 83 H CB -0.978 28.775 29.762 -0.016 0.000 1.389 83 H HN 0.093 nan 8.280 nan 0.000 0.511 84 P HA -0.030 nan 4.420 nan 0.000 0.223 84 P C 1.596 178.825 177.300 -0.119 0.000 1.151 84 P CA 1.665 64.710 63.100 -0.092 0.000 0.787 84 P CB -0.294 31.403 31.700 -0.005 0.000 0.788 85 G N -0.085 108.645 108.800 -0.116 0.000 2.421 85 G HA2 -0.212 3.751 3.960 0.005 0.000 0.216 85 G HA3 -0.212 3.751 3.960 0.005 0.000 0.216 85 G C 1.602 176.417 174.900 -0.141 0.000 1.171 85 G CA 0.610 45.639 45.100 -0.119 0.000 0.775 85 G HN 0.143 nan 8.290 nan 0.000 0.543 86 V N 1.508 121.310 119.914 -0.188 0.000 2.343 86 V HA -0.124 3.999 4.120 0.005 0.000 0.247 86 V C 2.760 178.771 176.094 -0.138 0.000 1.051 86 V CA 1.024 63.241 62.300 -0.138 0.000 1.036 86 V CB -0.312 31.448 31.823 -0.105 0.000 0.654 86 V HN 0.250 nan 8.190 nan 0.000 0.451 87 I N 0.113 120.546 120.570 -0.228 0.000 2.361 87 I HA -0.182 3.991 4.170 0.005 0.000 0.251 87 I C 2.248 178.320 176.117 -0.075 0.000 1.133 87 I CA 1.529 62.729 61.300 -0.167 0.000 1.413 87 I CB -1.080 36.793 38.000 -0.213 0.000 1.073 87 I HN 0.340 nan 8.210 nan 0.000 0.424 88 K N 0.291 120.653 120.400 -0.062 0.000 2.426 88 K HA 0.103 4.426 4.320 0.005 0.000 0.193 88 K C 1.220 177.831 176.600 0.019 0.000 1.028 88 K CA 0.743 57.022 56.287 -0.013 0.000 1.047 88 K CB 0.211 32.703 32.500 -0.013 0.000 0.821 88 K HN 0.370 nan 8.250 nan 0.000 0.513 89 G N 1.085 109.888 108.800 0.006 0.000 2.157 89 G HA2 -0.218 3.745 3.960 0.005 0.000 0.239 89 G HA3 -0.218 3.745 3.960 0.005 0.000 0.239 89 G C 0.018 174.942 174.900 0.040 0.000 0.982 89 G CA -0.053 45.066 45.100 0.032 0.000 0.650 89 G HN 0.165 nan 8.290 nan 0.000 0.527 90 L N 1.744 122.980 121.223 0.021 0.000 2.506 90 L HA 0.274 4.617 4.340 0.005 0.000 0.281 90 L C 1.733 178.612 176.870 0.015 0.000 1.228 90 L CA 1.028 55.882 54.840 0.024 0.000 0.850 90 L CB 0.125 42.178 42.059 -0.009 0.000 1.110 90 L HN 0.508 nan 8.230 nan 0.000 0.496 91 T N -0.747 113.818 114.554 0.018 0.000 2.849 91 T HA 0.216 4.569 4.350 0.005 0.000 0.284 91 T C -1.763 172.971 174.700 0.057 0.000 1.004 91 T CA -1.748 60.365 62.100 0.021 0.000 1.021 91 T CB 1.206 70.056 68.868 -0.031 0.000 1.013 91 T HN 0.368 nan 8.240 nan 0.000 0.527 92 P HA -0.113 nan 4.420 nan 0.000 0.217 92 P C 1.261 178.592 177.300 0.051 0.000 1.148 92 P CA 1.056 64.266 63.100 0.182 0.000 0.828 92 P CB -0.052 31.695 31.700 0.079 0.000 0.783 93 N N -0.476 118.199 118.700 -0.042 0.000 2.216 93 N HA -0.103 4.639 4.740 0.005 0.000 0.183 93 N C 1.663 177.122 175.510 -0.085 0.000 1.017 93 N CA 1.013 54.002 53.050 -0.102 0.000 0.861 93 N CB -0.396 37.959 38.487 -0.220 0.000 0.986 93 N HN 0.341 nan 8.380 nan 0.000 0.428 94 E N 0.532 120.688 120.200 -0.074 0.000 2.107 94 E HA 0.033 4.386 4.350 0.005 0.000 0.191 94 E C 1.906 178.560 176.600 0.089 0.000 0.982 94 E CA 0.415 56.827 56.400 0.019 0.000 0.809 94 E CB 0.066 29.800 29.700 0.057 0.000 0.756 94 E HN 0.283 nan 8.360 nan 0.000 0.459 95 I N 1.430 122.001 120.570 0.002 0.000 2.315 95 I HA -0.239 3.934 4.170 0.005 0.000 0.248 95 I C 1.907 178.024 176.117 0.000 0.000 1.117 95 I CA 0.561 61.826 61.300 -0.059 0.000 1.404 95 I CB -0.136 37.695 38.000 -0.282 0.000 1.071 95 I HN 0.092 nan 8.210 nan 0.000 0.419 96 N N 0.436 119.155 118.700 0.031 0.000 2.069 96 N HA -0.259 4.483 4.740 0.005 0.000 0.191 96 N C 1.535 177.074 175.510 0.048 0.000 1.031 96 N CA 1.373 54.432 53.050 0.016 0.000 0.852 96 N CB -0.525 37.963 38.487 0.002 0.000 1.018 96 N HN 0.553 nan 8.380 nan 0.000 0.423 97 W N 2.042 123.285 121.300 -0.096 0.000 2.358 97 W HA -0.147 4.515 4.660 0.004 0.000 0.303 97 W C 1.071 177.561 176.519 -0.048 0.000 1.208 97 W CA 0.956 58.255 57.345 -0.078 0.000 1.274 97 W CB -0.205 29.256 29.460 0.001 0.000 1.138 97 W HN 0.064 nan 8.180 nan 0.000 0.515 98 N N 0.724 119.413 118.700 -0.018 0.000 2.166 98 N HA -0.170 4.573 4.740 0.005 0.000 0.186 98 N C 1.708 177.153 175.510 -0.108 0.000 1.019 98 N CA 2.056 55.035 53.050 -0.119 0.000 0.856 98 N CB -0.883 37.603 38.487 -0.000 0.000 0.993 98 N HN 0.054 nan 8.380 nan 0.000 0.426 99 V N 1.097 120.988 119.914 -0.038 0.000 2.307 99 V HA -0.163 3.960 4.120 0.005 0.000 0.245 99 V C 2.370 178.515 176.094 0.085 0.000 1.045 99 V CA 1.715 64.066 62.300 0.084 0.000 1.024 99 V CB -1.073 30.783 31.823 0.055 0.000 0.651 99 V HN 0.290 nan 8.190 nan 0.000 0.449 100 A N -0.180 122.559 122.820 -0.135 0.000 1.917 100 A HA -0.275 4.048 4.320 0.005 0.000 0.219 100 A C 2.321 179.760 177.584 -0.241 0.000 1.182 100 A CA 2.196 54.106 52.037 -0.211 0.000 0.633 100 A CB -0.461 18.265 19.000 -0.457 0.000 0.819 100 A HN 0.547 nan 8.150 nan 0.000 0.448 101 K N -0.659 119.449 120.400 -0.486 0.000 2.025 101 K HA -0.014 4.309 4.320 0.005 0.000 0.207 101 K C 2.308 178.813 176.600 -0.158 0.000 1.049 101 K CA 1.052 57.112 56.287 -0.379 0.000 0.933 101 K CB -0.313 31.874 32.500 -0.522 0.000 0.714 101 K HN 0.436 nan 8.250 nan 0.000 0.438 102 A N 0.438 123.174 122.820 -0.140 0.000 2.019 102 A HA -0.127 4.196 4.320 0.005 0.000 0.219 102 A C 0.466 177.771 177.584 -0.466 0.000 1.164 102 A CA 1.121 53.002 52.037 -0.261 0.000 0.644 102 A CB -0.246 18.626 19.000 -0.214 0.000 0.805 102 A HN 0.322 nan 8.150 nan 0.000 0.449 103 Y N -0.956 119.379 120.300 0.059 0.000 2.562 103 Y HA 0.277 4.830 4.550 0.004 0.000 0.363 103 Y C -1.824 174.130 175.900 0.090 0.000 0.991 103 Y CA -1.935 56.215 58.100 0.083 0.000 1.121 103 Y CB 1.025 39.646 38.460 0.268 0.000 1.159 103 Y HN 0.211 nan 8.280 nan 0.000 0.651 104 P HA -0.170 nan 4.420 nan 0.000 0.225 104 P C 1.168 178.497 177.300 0.048 0.000 1.156 104 P CA 1.259 64.430 63.100 0.118 0.000 0.787 104 P CB 0.446 32.160 31.700 0.023 0.000 0.802 105 E N -0.535 119.629 120.200 -0.059 0.000 2.265 105 E HA -0.185 4.167 4.350 0.005 0.000 0.196 105 E C 0.817 177.404 176.600 -0.022 0.000 0.996 105 E CA 1.334 57.651 56.400 -0.138 0.000 0.832 105 E CB -0.810 28.700 29.700 -0.317 0.000 0.756 105 E HN 0.293 nan 8.360 nan 0.000 0.491 106 Y N -1.227 119.149 120.300 0.125 0.000 2.430 106 Y HA 0.300 4.852 4.550 0.004 0.000 0.248 106 Y C -0.156 175.837 175.900 0.155 0.000 1.108 106 Y CA -0.750 57.389 58.100 0.066 0.000 1.264 106 Y CB 0.333 38.763 38.460 -0.050 0.000 1.172 106 Y HN -0.018 nan 8.280 nan 0.000 0.520 107 Y N 1.395 121.830 120.300 0.225 0.000 2.333 107 Y HA 0.281 4.835 4.550 0.006 0.000 0.324 107 Y C -0.264 175.777 175.900 0.235 0.000 1.033 107 Y CA -1.391 56.832 58.100 0.204 0.000 1.224 107 Y CB 0.805 39.392 38.460 0.213 0.000 1.120 107 Y HN -0.040 nan 8.280 nan 0.000 0.457 108 E N 6.503 126.655 120.200 -0.080 0.000 2.324 108 E HA 0.146 4.499 4.350 0.005 0.000 0.271 108 E C -1.079 175.582 176.600 0.103 0.000 1.028 108 E CA 0.022 56.407 56.400 -0.026 0.000 0.890 108 E CB 0.401 30.048 29.700 -0.088 0.000 1.004 108 E HN 0.777 nan 8.360 nan 0.000 0.431 109 H N 2.113 121.249 119.070 0.111 0.000 3.064 109 H HA 0.283 4.841 4.556 0.004 0.000 0.352 109 H C -0.933 174.508 175.328 0.188 0.000 1.260 109 H CA -1.007 55.160 56.048 0.200 0.000 1.160 109 H CB 0.652 30.629 29.762 0.359 0.000 1.879 109 H HN 0.469 nan 8.280 nan 0.000 0.544 110 E N 1.495 121.872 120.200 0.294 0.000 2.369 110 E HA 0.097 4.450 4.350 0.005 0.000 0.255 110 E C 0.104 176.941 176.600 0.395 0.000 1.172 110 E CA -0.847 55.683 56.400 0.218 0.000 0.932 110 E CB 1.691 31.499 29.700 0.179 0.000 1.040 110 E HN 0.434 nan 8.360 nan 0.000 0.454 111 K N 1.122 121.683 120.400 0.268 0.000 2.276 111 K HA 0.028 4.351 4.320 0.005 0.000 0.259 111 K C -0.162 176.632 176.600 0.322 0.000 1.001 111 K CA -0.478 56.004 56.287 0.325 0.000 0.927 111 K CB 0.438 33.044 32.500 0.177 0.000 0.969 111 K HN 0.310 nan 8.250 nan 0.000 0.490 112 L N 5.884 127.324 121.223 0.362 0.000 2.562 112 L HA 0.087 4.429 4.340 0.005 0.000 0.271 112 L C -2.069 174.861 176.870 0.099 0.000 1.167 112 L CA -0.758 54.179 54.840 0.163 0.000 0.917 112 L CB 0.093 42.275 42.059 0.204 0.000 1.187 112 L HN 0.566 nan 8.230 nan 0.000 0.482 113 P HA 0.048 nan 4.420 nan 0.000 0.272 113 P C -1.138 176.190 177.300 0.046 0.000 1.240 113 P CA -0.359 62.773 63.100 0.053 0.000 0.791 113 P CB 0.434 32.162 31.700 0.047 0.000 0.978 114 D N 0.754 121.179 120.400 0.042 0.000 2.365 114 D HA 0.219 4.861 4.640 0.005 0.000 0.237 114 D C -1.048 175.279 176.300 0.045 0.000 1.190 114 D CA -0.031 53.989 54.000 0.033 0.000 0.867 114 D CB -0.228 40.585 40.800 0.021 0.000 1.050 114 D HN -0.108 nan 8.370 nan 0.000 0.491 115 V N 3.838 123.790 119.914 0.063 0.000 2.487 115 V HA 0.378 4.501 4.120 0.005 0.000 0.298 115 V C 0.382 176.554 176.094 0.129 0.000 1.028 115 V CA -0.766 61.596 62.300 0.105 0.000 0.860 115 V CB 2.052 33.962 31.823 0.144 0.000 0.991 115 V HN 0.490 nan 8.190 nan 0.000 0.427 116 T N 5.153 119.777 114.554 0.117 0.000 2.875 116 T HA 0.644 4.997 4.350 0.005 0.000 0.284 116 T C -0.904 173.955 174.700 0.264 0.000 0.995 116 T CA -0.155 62.026 62.100 0.135 0.000 1.060 116 T CB 1.025 69.910 68.868 0.027 0.000 0.967 116 T HN 0.494 nan 8.240 nan 0.000 0.476 117 F N 1.509 121.554 119.950 0.159 0.000 2.671 117 F HA 0.514 5.044 4.527 0.005 0.000 0.332 117 F C 0.660 176.562 175.800 0.171 0.000 1.189 117 F CA -0.323 57.809 58.000 0.220 0.000 0.988 117 F CB 0.910 40.067 39.000 0.263 0.000 1.258 117 F HN 0.822 nan 8.300 nan 0.000 0.471 118 G N 3.622 112.263 108.800 -0.265 0.000 2.323 118 G HA2 0.080 4.042 3.960 0.005 0.000 0.292 118 G HA3 0.080 4.042 3.960 0.005 0.000 0.292 118 G C 1.106 176.020 174.900 0.022 0.000 1.040 118 G CA 0.720 45.711 45.100 -0.182 0.000 0.942 118 G HN 2.315 nan 8.290 nan 0.000 0.506 119 G N -2.176 106.646 108.800 0.037 0.000 2.162 119 G HA2 -0.108 3.855 3.960 0.005 0.000 0.260 119 G HA3 -0.108 3.855 3.960 0.005 0.000 0.260 119 G C 0.247 175.251 174.900 0.174 0.000 0.976 119 G CA 0.708 45.854 45.100 0.075 0.000 0.655 119 G HN 1.787 nan 8.290 nan 0.000 0.533 120 F N 0.880 120.875 119.950 0.075 0.000 2.520 120 F HA 0.658 5.188 4.527 0.005 0.000 0.322 120 F C 0.262 176.140 175.800 0.129 0.000 1.103 120 F CA -1.308 56.757 58.000 0.107 0.000 0.926 120 F CB 1.411 40.485 39.000 0.124 0.000 1.154 120 F HN -0.040 nan 8.300 nan 0.000 0.453 121 K N 5.465 125.642 120.400 -0.371 0.000 2.312 121 K HA 0.352 4.675 4.320 0.005 0.000 0.287 121 K C -0.875 175.724 176.600 -0.003 0.000 1.062 121 K CA -0.406 55.791 56.287 -0.150 0.000 0.934 121 K CB 0.734 33.107 32.500 -0.211 0.000 1.027 121 K HN 0.559 nan 8.250 nan 0.000 0.478 122 V N 5.637 125.649 119.914 0.163 0.000 2.557 122 V HA -0.031 4.092 4.120 0.005 0.000 0.301 122 V C 0.653 176.776 176.094 0.048 0.000 1.026 122 V CA 0.452 62.862 62.300 0.183 0.000 1.137 122 V CB 0.148 32.042 31.823 0.118 0.000 0.917 122 V HN 0.775 nan 8.190 nan 0.000 0.484 123 R N 3.193 123.730 120.500 0.061 0.000 2.720 123 R HA 0.446 4.789 4.340 0.005 0.000 0.272 123 R C 0.063 176.090 176.300 -0.454 0.000 0.991 123 R CA -0.662 55.389 56.100 -0.081 0.000 1.010 123 R CB 1.039 31.390 30.300 0.085 0.000 1.141 123 R HN 0.852 nan 8.270 nan 0.000 0.494 124 D N -0.540 119.623 120.400 -0.396 0.000 2.462 124 D HA -0.056 4.587 4.640 0.005 0.000 0.221 124 D C 0.630 176.885 176.300 -0.075 0.000 1.173 124 D CA -0.087 53.605 54.000 -0.514 0.000 0.831 124 D CB 0.221 41.014 40.800 -0.011 0.000 1.001 124 D HN 0.420 nan 8.370 nan 0.000 0.499 125 S N 0.401 116.059 115.700 -0.069 0.000 2.522 125 S HA -0.128 4.345 4.470 0.005 0.000 0.227 125 S C 0.744 175.347 174.600 0.005 0.000 0.986 125 S CA -0.089 58.100 58.200 -0.019 0.000 0.929 125 S CB -0.650 62.516 63.200 -0.056 0.000 0.769 125 S HN 0.233 nan 8.310 nan 0.000 0.529 126 N N 1.759 120.484 118.700 0.041 0.000 2.747 126 N HA -0.195 4.548 4.740 0.005 0.000 0.249 126 N C 0.563 176.078 175.510 0.008 0.000 1.107 126 N CA 1.281 54.389 53.050 0.098 0.000 0.707 126 N CB -1.783 36.779 38.487 0.125 0.000 1.054 126 N HN 0.985 nan 8.380 nan 0.000 0.555 127 E N -0.642 119.482 120.200 -0.127 0.000 2.276 127 E HA -0.013 4.340 4.350 0.005 0.000 0.193 127 E C -0.057 176.328 176.600 -0.357 0.000 0.983 127 E CA 0.069 56.300 56.400 -0.282 0.000 0.861 127 E CB -0.042 29.414 29.700 -0.407 0.000 0.817 127 E HN 0.220 nan 8.360 nan 0.000 0.485 128 F N 2.522 122.458 119.950 -0.025 0.000 2.467 128 F HA 0.322 4.852 4.527 0.004 0.000 0.362 128 F C 0.406 176.045 175.800 -0.268 0.000 1.090 128 F CA -0.224 57.660 58.000 -0.192 0.000 1.202 128 F CB 0.790 39.660 39.000 -0.218 0.000 1.113 128 F HN -0.237 nan 8.300 nan 0.000 0.541 129 K N 3.323 123.570 120.400 -0.255 0.000 2.259 129 K HA 0.716 5.039 4.320 0.005 0.000 0.249 129 K C -1.483 174.884 176.600 -0.390 0.000 0.942 129 K CA -0.641 55.551 56.287 -0.159 0.000 0.816 129 K CB 1.744 34.227 32.500 -0.030 0.000 1.155 129 K HN 0.357 nan 8.250 nan 0.000 0.428 130 F N 0.995 121.027 119.950 0.137 0.000 2.569 130 F HA 0.382 4.912 4.527 0.005 0.000 0.312 130 F C -0.169 175.753 175.800 0.204 0.000 1.109 130 F CA -1.061 57.025 58.000 0.143 0.000 0.919 130 F CB 1.782 40.843 39.000 0.101 0.000 1.211 130 F HN 0.101 nan 8.300 nan 0.000 0.446 131 K N 0.635 121.270 120.400 0.393 0.000 2.249 131 K HA 0.303 4.626 4.320 0.005 0.000 0.280 131 K C 0.756 177.649 176.600 0.489 0.000 1.033 131 K CA -0.118 56.382 56.287 0.354 0.000 0.946 131 K CB 1.186 33.836 32.500 0.250 0.000 1.005 131 K HN 0.798 nan 8.250 nan 0.000 0.469 132 T N -1.934 112.831 114.554 0.352 0.000 3.060 132 T HA -0.056 4.297 4.350 0.005 0.000 0.249 132 T C 0.861 175.611 174.700 0.083 0.000 1.079 132 T CA 0.288 62.497 62.100 0.182 0.000 1.013 132 T CB -0.417 68.450 68.868 -0.001 0.000 0.975 132 T HN 0.702 nan 8.240 nan 0.000 0.518 133 N N 0.657 119.404 118.700 0.078 0.000 2.276 133 N HA 0.297 5.040 4.740 0.005 0.000 0.212 133 N C -0.608 174.923 175.510 0.035 0.000 1.127 133 N CA -0.462 52.549 53.050 -0.065 0.000 0.834 133 N CB 0.533 38.801 38.487 -0.365 0.000 1.014 133 N HN 0.190 nan 8.380 nan 0.000 0.491 134 V N 0.873 120.880 119.914 0.154 0.000 2.447 134 V HA 0.313 4.436 4.120 0.005 0.000 0.292 134 V C -0.975 175.261 176.094 0.236 0.000 1.021 134 V CA -0.627 61.769 62.300 0.161 0.000 0.850 134 V CB 1.420 33.336 31.823 0.154 0.000 1.005 134 V HN 0.245 nan 8.190 nan 0.000 0.426 135 Q N 2.403 122.304 119.800 0.168 0.000 2.321 135 Q HA 0.666 5.009 4.340 0.005 0.000 0.270 135 Q C -0.866 175.199 176.000 0.109 0.000 1.032 135 Q CA -0.472 55.426 55.803 0.160 0.000 0.784 135 Q CB 2.839 31.649 28.738 0.120 0.000 1.264 135 Q HN 0.722 nan 8.270 nan 0.000 0.448 136 T N 1.206 115.852 114.554 0.153 0.000 2.841 136 T HA 0.662 5.015 4.350 0.005 0.000 0.283 136 T C -0.563 174.251 174.700 0.189 0.000 1.000 136 T CA -0.556 61.642 62.100 0.165 0.000 0.977 136 T CB 1.503 70.454 68.868 0.139 0.000 0.979 136 T HN 0.413 nan 8.240 nan 0.000 0.446 137 S N 1.629 117.428 115.700 0.165 0.000 2.632 137 S HA 0.738 5.210 4.470 0.005 0.000 0.289 137 S C -0.979 173.771 174.600 0.250 0.000 1.115 137 S CA -0.794 57.510 58.200 0.174 0.000 0.889 137 S CB 1.226 64.459 63.200 0.055 0.000 1.116 137 S HN 0.580 nan 8.310 nan 0.000 0.486 138 I N 1.578 122.306 120.570 0.264 0.000 2.466 138 I HA 0.405 4.578 4.170 0.005 0.000 0.289 138 I C -1.418 174.741 176.117 0.071 0.000 1.026 138 I CA -0.321 61.009 61.300 0.049 0.000 1.078 138 I CB 1.679 39.656 38.000 -0.039 0.000 1.249 138 I HN 0.547 nan 8.210 nan 0.000 0.429 139 W N 7.851 129.016 121.300 -0.225 0.000 2.521 139 W HA 0.440 5.103 4.660 0.005 0.000 0.310 139 W C -2.118 174.357 176.519 -0.074 0.000 1.000 139 W CA -0.538 56.739 57.345 -0.112 0.000 1.353 139 W CB 1.574 31.043 29.460 0.015 0.000 1.276 139 W HN 0.254 nan 8.180 nan 0.000 0.417 140 F N 3.541 123.231 119.950 -0.433 0.000 2.361 140 F HA 0.208 4.738 4.527 0.005 0.000 0.364 140 F C 0.902 176.399 175.800 -0.504 0.000 1.120 140 F CA -0.545 57.281 58.000 -0.290 0.000 1.102 140 F CB 1.257 40.149 39.000 -0.179 0.000 1.183 140 F HN 0.032 nan 8.300 nan 0.000 0.476 141 S N 4.183 119.894 115.700 0.019 0.000 2.545 141 S HA 0.357 4.830 4.470 0.005 0.000 0.275 141 S C 1.181 175.818 174.600 0.061 0.000 1.299 141 S CA -0.724 57.528 58.200 0.087 0.000 1.048 141 S CB 0.312 63.694 63.200 0.303 0.000 0.938 141 S HN 0.625 nan 8.310 nan 0.000 0.496 142 I N 1.136 121.735 120.570 0.048 0.000 3.812 142 I HA 0.413 4.585 4.170 0.005 0.000 0.320 142 I C -0.202 175.951 176.117 0.060 0.000 1.276 142 I CA -0.047 61.276 61.300 0.040 0.000 1.164 142 I CB -0.181 37.834 38.000 0.024 0.000 1.009 142 I HN 0.326 nan 8.210 nan 0.000 0.431 143 K N 1.876 122.329 120.400 0.089 0.000 2.604 143 K HA 0.399 4.721 4.320 0.005 0.000 0.247 143 K C -2.197 174.459 176.600 0.093 0.000 0.956 143 K CA -1.633 54.702 56.287 0.080 0.000 0.896 143 K CB 2.131 34.679 32.500 0.080 0.000 1.131 143 K HN -0.229 nan 8.250 nan 0.000 0.440 144 P HA -0.187 nan 4.420 nan 0.000 0.221 144 P C 0.127 177.488 177.300 0.102 0.000 1.145 144 P CA 1.200 64.353 63.100 0.088 0.000 0.795 144 P CB 0.378 32.115 31.700 0.062 0.000 0.775 145 E N -1.284 118.968 120.200 0.087 0.000 2.299 145 E HA 0.037 4.390 4.350 0.005 0.000 0.193 145 E C 0.479 177.143 176.600 0.106 0.000 0.998 145 E CA 0.352 56.804 56.400 0.087 0.000 0.851 145 E CB -0.424 29.312 29.700 0.060 0.000 0.795 145 E HN 0.159 nan 8.360 nan 0.000 0.492 146 L N 1.534 122.819 121.223 0.103 0.000 2.318 146 L HA 0.292 4.635 4.340 0.005 0.000 0.277 146 L C 0.255 177.186 176.870 0.102 0.000 1.008 146 L CA -0.883 53.991 54.840 0.057 0.000 0.846 146 L CB 0.485 42.548 42.059 0.007 0.000 1.220 146 L HN 0.065 nan 8.230 nan 0.000 0.423 147 F N 3.564 123.559 119.950 0.075 0.000 2.171 147 F HA 0.143 4.673 4.527 0.005 0.000 0.300 147 F C 0.483 176.369 175.800 0.143 0.000 1.090 147 F CA 0.792 58.862 58.000 0.117 0.000 1.293 147 F CB -0.219 38.808 39.000 0.045 0.000 1.013 147 F HN 0.411 nan 8.300 nan 0.000 0.486 148 M N 0.368 119.483 119.600 -0.808 0.000 2.346 148 M HA 0.373 4.856 4.480 0.005 0.000 0.287 148 M C -3.039 172.745 176.300 -0.859 0.000 1.100 148 M CA -1.936 52.851 55.300 -0.854 0.000 0.950 148 M CB 1.748 33.766 32.600 -0.970 0.000 1.815 148 M HN -0.305 nan 8.290 nan 0.000 0.497 149 P HA 0.192 nan 4.420 nan 0.000 0.272 149 P C 0.262 177.287 177.300 -0.457 0.000 1.230 149 P CA -0.145 62.700 63.100 -0.425 0.000 0.788 149 P CB 0.699 32.237 31.700 -0.270 0.000 0.949 150 S N 1.892 117.403 115.700 -0.315 0.000 2.374 150 S HA -0.284 4.188 4.470 0.005 0.000 0.227 150 S C 1.792 176.263 174.600 -0.214 0.000 1.037 150 S CA 1.544 59.596 58.200 -0.245 0.000 1.024 150 S CB -0.945 62.167 63.200 -0.148 0.000 0.861 150 S HN 0.544 nan 8.310 nan 0.000 0.456 151 K N 0.733 121.013 120.400 -0.201 0.000 2.063 151 K HA -0.188 4.135 4.320 0.005 0.000 0.208 151 K C 2.318 178.800 176.600 -0.197 0.000 1.048 151 K CA 1.698 57.889 56.287 -0.159 0.000 0.928 151 K CB -0.229 32.193 32.500 -0.131 0.000 0.713 151 K HN 0.348 nan 8.250 nan 0.000 0.442 152 Q N 0.618 120.215 119.800 -0.338 0.000 2.123 152 Q HA -0.079 4.264 4.340 0.005 0.000 0.199 152 Q C 2.056 177.894 176.000 -0.271 0.000 0.966 152 Q CA 1.449 57.020 55.803 -0.386 0.000 0.845 152 Q CB 0.025 28.292 28.738 -0.785 0.000 0.907 152 Q HN 0.388 nan 8.270 nan 0.000 0.439 153 Q N 0.021 119.622 119.800 -0.331 0.000 2.061 153 Q HA -0.194 4.149 4.340 0.005 0.000 0.204 153 Q C 1.855 177.888 176.000 0.054 0.000 0.984 153 Q CA 1.276 56.968 55.803 -0.185 0.000 0.846 153 Q CB 0.013 28.547 28.738 -0.340 0.000 0.902 153 Q HN 0.344 nan 8.270 nan 0.000 0.421 154 E N 0.221 120.408 120.200 -0.021 0.000 2.072 154 E HA -0.151 4.202 4.350 0.005 0.000 0.191 154 E C 1.972 178.590 176.600 0.029 0.000 0.985 154 E CA 1.027 57.439 56.400 0.021 0.000 0.801 154 E CB -0.258 29.436 29.700 -0.009 0.000 0.750 154 E HN 0.354 nan 8.360 nan 0.000 0.452 155 A N 1.504 124.324 122.820 -0.001 0.000 1.908 155 A HA -0.178 4.145 4.320 0.005 0.000 0.218 155 A C 2.397 180.012 177.584 0.052 0.000 1.181 155 A CA 1.252 53.298 52.037 0.015 0.000 0.627 155 A CB -0.766 18.225 19.000 -0.016 0.000 0.818 155 A HN 0.169 nan 8.150 nan 0.000 0.445 156 L N -1.032 120.238 121.223 0.078 0.000 2.005 156 L HA -0.207 4.136 4.340 0.005 0.000 0.207 156 L C 2.638 179.565 176.870 0.095 0.000 1.072 156 L CA 1.859 56.770 54.840 0.118 0.000 0.744 156 L CB -0.485 41.710 42.059 0.227 0.000 0.895 156 L HN 0.350 nan 8.230 nan 0.000 0.433 157 K N -0.293 120.176 120.400 0.115 0.000 2.074 157 K HA -0.256 4.067 4.320 0.005 0.000 0.209 157 K C 2.277 178.893 176.600 0.027 0.000 1.048 157 K CA 1.649 57.967 56.287 0.052 0.000 0.926 157 K CB -0.150 32.393 32.500 0.071 0.000 0.713 157 K HN 0.110 nan 8.250 nan 0.000 0.444 158 R N 0.568 121.092 120.500 0.040 0.000 2.070 158 R HA -0.042 4.301 4.340 0.005 0.000 0.233 158 R C 2.332 178.669 176.300 0.061 0.000 1.137 158 R CA 1.409 57.527 56.100 0.031 0.000 0.945 158 R CB -0.032 30.294 30.300 0.043 0.000 0.845 158 R HN 0.075 nan 8.270 nan 0.000 0.430 159 R N -0.169 120.402 120.500 0.117 0.000 2.103 159 R HA -0.218 4.125 4.340 0.005 0.000 0.242 159 R C 2.289 178.691 176.300 0.169 0.000 1.142 159 R CA 2.001 58.225 56.100 0.207 0.000 0.960 159 R CB -0.218 30.192 30.300 0.184 0.000 0.858 159 R HN 0.088 nan 8.270 nan 0.000 0.439 160 R N 1.559 122.104 120.500 0.075 0.000 2.107 160 R HA -0.172 4.171 4.340 0.005 0.000 0.223 160 R C 2.080 178.373 176.300 -0.012 0.000 1.138 160 R CA 2.353 58.471 56.100 0.030 0.000 0.900 160 R CB -0.803 29.488 30.300 -0.015 0.000 0.814 160 R HN 0.330 nan 8.270 nan 0.000 0.437 161 E N 0.133 120.307 120.200 -0.044 0.000 2.267 161 E HA -0.277 4.076 4.350 0.005 0.000 0.197 161 E C 1.857 178.362 176.600 -0.159 0.000 0.998 161 E CA 1.340 57.693 56.400 -0.080 0.000 0.830 161 E CB -0.131 29.531 29.700 -0.064 0.000 0.751 161 E HN 0.642 nan 8.360 nan 0.000 0.491 162 Q N -0.521 119.130 119.800 -0.249 0.000 2.008 162 Q HA -0.073 4.269 4.340 0.005 0.000 0.196 162 Q C 0.202 175.796 176.000 -0.678 0.000 0.973 162 Q CA 1.124 56.550 55.803 -0.627 0.000 0.826 162 Q CB 0.205 28.308 28.738 -1.058 0.000 0.894 162 Q HN 0.429 nan 8.270 nan 0.000 0.439 163 Y N 0.133 120.434 120.300 0.002 0.000 2.525 163 Y HA 0.321 4.874 4.550 0.005 0.000 0.365 163 Y C -2.141 173.760 175.900 0.000 0.000 0.929 163 Y CA -2.668 55.434 58.100 0.004 0.000 1.196 163 Y CB 0.233 38.693 38.460 -0.000 0.000 1.232 163 Y HN 0.174 nan 8.280 nan 0.000 0.613 164 P HA 0.198 nan 4.420 nan 0.000 0.289 164 P C 0.783 178.115 177.300 0.054 0.000 1.299 164 P CA -0.384 62.742 63.100 0.044 0.000 0.766 164 P CB 0.935 32.639 31.700 0.007 0.000 1.226 165 G N -0.441 108.366 108.800 0.011 0.000 3.714 165 G HA2 0.320 4.283 3.960 0.005 0.000 0.276 165 G HA3 0.320 4.283 3.960 0.005 0.000 0.276 165 G C 0.433 175.304 174.900 -0.049 0.000 1.058 165 G CA -0.353 44.739 45.100 -0.013 0.000 1.700 165 G HN 0.769 nan 8.290 nan 0.000 0.605 166 C N 0.436 119.712 119.300 -0.040 0.000 2.679 166 C HA 0.552 5.014 4.460 0.005 0.000 0.417 166 C C 0.745 175.727 174.990 -0.013 0.000 1.302 166 C CA -1.398 57.589 59.018 -0.052 0.000 1.973 166 C CB 0.590 28.329 27.740 -0.001 0.000 2.715 166 C HN 0.535 nan 8.230 nan 0.000 0.628 167 K N 2.245 122.643 120.400 -0.004 0.000 2.174 167 K HA 0.625 4.948 4.320 0.005 0.000 0.275 167 K C -0.958 175.659 176.600 0.029 0.000 1.015 167 K CA -0.387 55.904 56.287 0.007 0.000 0.933 167 K CB 0.509 33.014 32.500 0.008 0.000 1.025 167 K HN 0.845 nan 8.250 nan 0.000 0.463 168 I N 4.777 125.358 120.570 0.018 0.000 2.447 168 I HA 0.340 4.513 4.170 0.005 0.000 0.287 168 I C -0.500 175.627 176.117 0.017 0.000 1.023 168 I CA -0.872 60.444 61.300 0.027 0.000 1.083 168 I CB 1.922 39.934 38.000 0.020 0.000 1.245 168 I HN 0.533 nan 8.210 nan 0.000 0.434 169 R N 5.355 125.870 120.500 0.025 0.000 2.562 169 R HA 0.702 5.045 4.340 0.005 0.000 0.298 169 R C -1.369 174.955 176.300 0.039 0.000 0.961 169 R CA -0.928 55.178 56.100 0.011 0.000 0.881 169 R CB 2.581 32.863 30.300 -0.030 0.000 1.159 169 R HN 0.335 nan 8.270 nan 0.000 0.450 170 L N 4.218 125.475 121.223 0.057 0.000 2.372 170 L HA 0.493 4.836 4.340 0.005 0.000 0.274 170 L C -1.050 175.907 176.870 0.146 0.000 0.988 170 L CA -0.383 54.521 54.840 0.106 0.000 0.833 170 L CB 1.360 43.490 42.059 0.118 0.000 1.236 170 L HN 0.578 nan 8.230 nan 0.000 0.410 171 I N 6.013 126.670 120.570 0.145 0.000 2.428 171 I HA 0.353 4.526 4.170 0.005 0.000 0.289 171 I C -0.541 175.727 176.117 0.253 0.000 1.019 171 I CA -0.493 60.924 61.300 0.196 0.000 1.351 171 I CB 0.821 38.892 38.000 0.119 0.000 1.412 171 I HN 0.691 nan 8.210 nan 0.000 0.513 172 Y N 3.389 123.795 120.300 0.177 0.000 2.728 172 Y HA 0.667 5.220 4.550 0.005 0.000 0.330 172 Y C -1.077 175.105 175.900 0.470 0.000 1.234 172 Y CA -1.931 56.347 58.100 0.297 0.000 1.070 172 Y CB 1.205 39.825 38.460 0.267 0.000 1.300 172 Y HN 0.369 nan 8.280 nan 0.000 0.467 173 S N 0.600 116.374 115.700 0.124 0.000 2.552 173 S HA 0.411 4.884 4.470 0.005 0.000 0.314 173 S C 0.613 175.042 174.600 -0.286 0.000 1.099 173 S CA -0.035 58.036 58.200 -0.215 0.000 1.070 173 S CB 0.684 63.809 63.200 -0.125 0.000 0.998 173 S HN 1.073 nan 8.310 nan 0.000 0.474 174 S N 3.863 119.285 115.700 -0.464 0.000 2.356 174 S HA -0.139 4.334 4.470 0.005 0.000 0.223 174 S C 2.127 176.718 174.600 -0.015 0.000 1.032 174 S CA 1.718 59.848 58.200 -0.118 0.000 1.005 174 S CB -0.990 62.166 63.200 -0.072 0.000 0.867 174 S HN 0.895 nan 8.310 nan 0.000 0.449 175 S N 1.561 117.224 115.700 -0.063 0.000 2.440 175 S HA 0.036 4.509 4.470 0.005 0.000 0.238 175 S C 1.703 176.292 174.600 -0.018 0.000 1.010 175 S CA 0.966 59.142 58.200 -0.041 0.000 0.972 175 S CB -0.738 62.418 63.200 -0.073 0.000 0.774 175 S HN 0.609 nan 8.310 nan 0.000 0.501 176 L N 0.258 121.479 121.223 -0.004 0.000 2.492 176 L HA 0.326 4.669 4.340 0.005 0.000 0.223 176 L C 0.140 177.060 176.870 0.084 0.000 1.132 176 L CA 0.198 55.055 54.840 0.029 0.000 0.850 176 L CB -0.169 41.914 42.059 0.041 0.000 0.966 176 L HN 0.300 nan 8.230 nan 0.000 0.454 177 L N 0.326 121.618 121.223 0.114 0.000 2.334 177 L HA 0.301 4.644 4.340 0.005 0.000 0.276 177 L C -0.080 176.855 176.870 0.109 0.000 1.014 177 L CA -0.978 53.950 54.840 0.147 0.000 0.815 177 L CB 1.369 43.567 42.059 0.231 0.000 1.268 177 L HN 0.087 nan 8.230 nan 0.000 0.428 178 N N 2.322 121.082 118.700 0.100 0.000 2.444 178 N HA 0.155 4.898 4.740 0.005 0.000 0.255 178 N C -2.155 173.405 175.510 0.083 0.000 1.255 178 N CA -1.544 51.553 53.050 0.077 0.000 0.933 178 N CB 0.133 38.660 38.487 0.066 0.000 1.143 178 N HN 0.208 nan 8.380 nan 0.000 0.453 179 P HA -0.223 nan 4.420 nan 0.000 0.218 179 P C 1.047 178.385 177.300 0.063 0.000 1.152 179 P CA 1.660 64.797 63.100 0.061 0.000 0.857 179 P CB 0.223 31.950 31.700 0.045 0.000 0.787 180 E N -0.143 120.096 120.200 0.064 0.000 2.046 180 E HA -0.110 4.243 4.350 0.005 0.000 0.190 180 E C 2.001 178.652 176.600 0.084 0.000 0.982 180 E CA 1.459 57.897 56.400 0.063 0.000 0.800 180 E CB -1.172 28.565 29.700 0.061 0.000 0.756 180 E HN 0.062 nan 8.360 nan 0.000 0.449 181 A N 1.012 123.906 122.820 0.124 0.000 1.908 181 A HA -0.250 4.073 4.320 0.005 0.000 0.218 181 A C 2.114 179.782 177.584 0.141 0.000 1.181 181 A CA 1.806 53.959 52.037 0.194 0.000 0.627 181 A CB -0.832 18.305 19.000 0.229 0.000 0.818 181 A HN 0.294 nan 8.150 nan 0.000 0.445 182 N N -0.289 118.487 118.700 0.128 0.000 2.043 182 N HA -0.166 4.577 4.740 0.005 0.000 0.193 182 N C 1.931 177.449 175.510 0.014 0.000 1.037 182 N CA 1.595 54.714 53.050 0.114 0.000 0.851 182 N CB -0.396 38.173 38.487 0.136 0.000 1.027 182 N HN 0.514 nan 8.380 nan 0.000 0.422 183 R N 1.014 121.519 120.500 0.008 0.000 2.091 183 R HA -0.093 4.250 4.340 0.005 0.000 0.238 183 R C 2.195 178.437 176.300 -0.095 0.000 1.136 183 R CA 1.153 57.239 56.100 -0.025 0.000 0.959 183 R CB -0.235 30.064 30.300 -0.002 0.000 0.856 183 R HN 0.462 nan 8.270 nan 0.000 0.437 184 Q N -0.145 119.579 119.800 -0.127 0.000 2.224 184 Q HA -0.162 4.180 4.340 0.005 0.000 0.203 184 Q C 2.031 177.604 176.000 -0.711 0.000 0.970 184 Q CA 1.170 56.802 55.803 -0.286 0.000 0.865 184 Q CB -0.079 28.569 28.738 -0.150 0.000 0.922 184 Q HN 0.204 nan 8.270 nan 0.000 0.445 185 M N 1.304 120.511 119.600 -0.655 0.000 2.077 185 M HA -0.145 4.338 4.480 0.005 0.000 0.261 185 M C 1.657 177.731 176.300 -0.377 0.000 1.070 185 M CA 1.843 56.718 55.300 -0.708 0.000 1.125 185 M CB -0.055 32.331 32.600 -0.356 0.000 1.339 185 M HN -0.156 nan 8.290 nan 0.000 0.409 186 K N -0.174 120.084 120.400 -0.237 0.000 2.074 186 K HA -0.132 4.191 4.320 0.005 0.000 0.209 186 K C 1.945 178.472 176.600 -0.123 0.000 1.048 186 K CA 1.680 57.879 56.287 -0.147 0.000 0.926 186 K CB -0.490 31.965 32.500 -0.075 0.000 0.713 186 K HN 0.522 nan 8.250 nan 0.000 0.444 187 A N 0.447 123.192 122.820 -0.125 0.000 1.929 187 A HA -0.131 4.192 4.320 0.005 0.000 0.216 187 A C 1.972 179.517 177.584 -0.065 0.000 1.176 187 A CA 0.934 52.920 52.037 -0.085 0.000 0.628 187 A CB -0.615 18.347 19.000 -0.063 0.000 0.816 187 A HN 0.365 nan 8.150 nan 0.000 0.444 188 F N 1.234 121.029 119.950 -0.258 0.000 2.095 188 F HA -0.127 4.403 4.527 0.005 0.000 0.298 188 F C 2.489 178.214 175.800 -0.125 0.000 1.104 188 F CA 1.363 59.253 58.000 -0.184 0.000 1.232 188 F CB -0.472 38.373 39.000 -0.258 0.000 0.987 188 F HN 0.245 nan 8.300 nan 0.000 0.475 189 A N 0.078 122.822 122.820 -0.128 0.000 1.877 189 A HA -0.229 4.094 4.320 0.005 0.000 0.216 189 A C 2.306 179.772 177.584 -0.197 0.000 1.186 189 A CA 1.909 53.834 52.037 -0.186 0.000 0.620 189 A CB -0.896 18.039 19.000 -0.107 0.000 0.822 189 A HN 0.478 nan 8.150 nan 0.000 0.443 190 K N -0.240 120.073 120.400 -0.145 0.000 2.026 190 K HA -0.182 4.141 4.320 0.005 0.000 0.208 190 K C 2.215 178.733 176.600 -0.136 0.000 1.048 190 K CA 1.811 58.029 56.287 -0.115 0.000 0.929 190 K CB -0.196 32.255 32.500 -0.081 0.000 0.713 190 K HN 0.410 nan 8.250 nan 0.000 0.439 191 K N -0.000 120.304 120.400 -0.160 0.000 2.103 191 K HA -0.148 4.175 4.320 0.005 0.000 0.207 191 K C 1.451 177.923 176.600 -0.212 0.000 1.048 191 K CA 1.393 57.584 56.287 -0.160 0.000 0.930 191 K CB 0.190 32.603 32.500 -0.144 0.000 0.716 191 K HN 0.194 nan 8.250 nan 0.000 0.444 192 Q N 0.153 119.749 119.800 -0.340 0.000 2.280 192 Q HA -0.004 4.339 4.340 0.005 0.000 0.202 192 Q C -0.361 175.513 176.000 -0.209 0.000 0.903 192 Q CA 0.010 55.617 55.803 -0.328 0.000 0.948 192 Q CB -0.057 28.345 28.738 -0.561 0.000 1.058 192 Q HN 0.427 nan 8.270 nan 0.000 0.493 193 N N 0.784 119.388 118.700 -0.161 0.000 2.714 193 N HA -0.205 4.538 4.740 0.005 0.000 0.252 193 N C -1.056 174.398 175.510 -0.093 0.000 1.014 193 N CA -0.115 52.872 53.050 -0.105 0.000 0.735 193 N CB -0.691 37.750 38.487 -0.078 0.000 0.924 193 N HN 0.259 nan 8.380 nan 0.000 0.540 194 I N 1.160 121.663 120.570 -0.113 0.000 2.315 194 I HA 0.060 4.232 4.170 0.005 0.000 0.291 194 I C 0.734 176.821 176.117 -0.051 0.000 1.006 194 I CA -0.342 60.913 61.300 -0.075 0.000 1.265 194 I CB 1.576 39.526 38.000 -0.082 0.000 1.387 194 I HN 0.110 nan 8.210 nan 0.000 0.475 195 S N 6.892 122.575 115.700 -0.028 0.000 2.465 195 S HA 0.237 4.709 4.470 0.005 0.000 0.280 195 S C -0.459 174.141 174.600 0.000 0.000 1.232 195 S CA -0.505 57.686 58.200 -0.016 0.000 1.066 195 S CB -0.040 63.152 63.200 -0.014 0.000 0.929 195 S HN 0.331 nan 8.310 nan 0.000 0.494 196 L N 6.620 127.846 121.223 0.006 0.000 2.275 196 L HA 0.597 4.939 4.340 0.005 0.000 0.288 196 L C -0.859 176.090 176.870 0.131 0.000 1.046 196 L CA -0.138 54.724 54.840 0.036 0.000 0.805 196 L CB 1.272 43.293 42.059 -0.064 0.000 1.193 196 L HN 0.603 nan 8.230 nan 0.000 0.426 197 I N 3.782 124.474 120.570 0.204 0.000 2.389 197 I HA 0.287 4.460 4.170 0.005 0.000 0.288 197 I C -0.344 175.962 176.117 0.315 0.000 0.999 197 I CA -0.495 60.924 61.300 0.199 0.000 1.129 197 I CB 1.443 39.492 38.000 0.083 0.000 1.288 197 I HN 0.398 nan 8.210 nan 0.000 0.444 198 D N 5.127 125.657 120.400 0.218 0.000 2.339 198 D HA 0.121 4.764 4.640 0.005 0.000 0.241 198 D C 1.039 177.353 176.300 0.023 0.000 1.183 198 D CA -0.130 53.846 54.000 -0.040 0.000 0.859 198 D CB 0.976 41.731 40.800 -0.076 0.000 1.067 198 D HN 0.474 nan 8.370 nan 0.000 0.484 199 I N 3.467 124.074 120.570 0.060 0.000 2.423 199 I HA -0.231 3.942 4.170 0.005 0.000 0.254 199 I C 1.130 177.347 176.117 0.168 0.000 1.151 199 I CA 1.398 62.801 61.300 0.172 0.000 1.421 199 I CB 0.039 38.180 38.000 0.235 0.000 1.079 199 I HN 0.348 nan 8.210 nan 0.000 0.431 200 D N -0.087 120.329 120.400 0.027 0.000 2.269 200 D HA -0.007 4.636 4.640 0.005 0.000 0.208 200 D C 0.932 177.290 176.300 0.096 0.000 0.963 200 D CA 1.205 55.218 54.000 0.021 0.000 0.864 200 D CB -0.172 40.593 40.800 -0.058 0.000 0.936 200 D HN 0.496 nan 8.370 nan 0.000 0.505 201 S N 0.111 115.865 115.700 0.089 0.000 2.112 201 S HA 0.499 4.972 4.470 0.005 0.000 0.151 201 S C -0.489 174.139 174.600 0.046 0.000 1.723 201 S CA -0.793 57.451 58.200 0.073 0.000 1.263 201 S CB 1.020 64.243 63.200 0.039 0.000 1.194 201 S HN -0.134 nan 8.310 nan 0.000 0.419 202 V N 1.857 121.788 119.914 0.030 0.000 2.823 202 V HA 0.574 4.697 4.120 0.005 0.000 0.312 202 V C -0.615 175.326 176.094 -0.255 0.000 1.072 202 V CA -0.746 61.482 62.300 -0.119 0.000 0.937 202 V CB 2.263 33.969 31.823 -0.196 0.000 1.013 202 V HN 0.702 nan 8.190 nan 0.000 0.430 203 K N 2.682 122.955 120.400 -0.212 0.000 2.293 203 K HA 0.683 5.006 4.320 0.005 0.000 0.267 203 K C -0.976 175.490 176.600 -0.224 0.000 1.010 203 K CA -0.069 56.105 56.287 -0.189 0.000 0.875 203 K CB 1.466 33.911 32.500 -0.092 0.000 1.106 203 K HN 0.820 nan 8.250 nan 0.000 0.450 204 T N 1.775 116.175 114.554 -0.256 0.000 2.942 204 T HA 0.169 4.522 4.350 0.005 0.000 0.327 204 T C -0.569 174.071 174.700 -0.101 0.000 1.360 204 T CA -0.667 61.322 62.100 -0.185 0.000 1.055 204 T CB 1.193 69.913 68.868 -0.247 0.000 1.261 204 T HN 0.565 nan 8.240 nan 0.000 0.485 205 D N 1.793 122.170 120.400 -0.040 0.000 2.349 205 D HA 0.105 4.748 4.640 0.005 0.000 0.224 205 D C 0.886 177.203 176.300 0.028 0.000 1.029 205 D CA 0.272 54.274 54.000 0.003 0.000 0.879 205 D CB 0.293 41.099 40.800 0.010 0.000 0.906 205 D HN 0.444 nan 8.370 nan 0.000 0.528 206 S N 2.142 117.859 115.700 0.028 0.000 2.552 206 S HA 0.022 4.495 4.470 0.005 0.000 0.289 206 S C -1.141 173.511 174.600 0.087 0.000 1.304 206 S CA -1.096 57.143 58.200 0.065 0.000 1.063 206 S CB 1.167 64.418 63.200 0.085 0.000 0.848 206 S HN -0.030 nan 8.310 nan 0.000 0.499 207 P HA -0.090 nan 4.420 nan 0.000 0.226 207 P C 0.973 178.300 177.300 0.046 0.000 1.146 207 P CA 1.006 64.138 63.100 0.054 0.000 0.773 207 P CB -0.004 31.717 31.700 0.035 0.000 0.772 208 L N -3.026 118.241 121.223 0.073 0.000 2.509 208 L HA -0.013 4.330 4.340 0.005 0.000 0.222 208 L C 2.584 179.505 176.870 0.085 0.000 1.123 208 L CA 0.353 55.218 54.840 0.042 0.000 0.856 208 L CB -0.802 41.312 42.059 0.090 0.000 0.985 208 L HN -0.114 nan 8.230 nan 0.000 0.456 209 Y N 2.150 122.441 120.300 -0.014 0.000 2.163 209 Y HA -0.101 4.452 4.550 0.005 0.000 0.288 209 Y C -0.393 175.483 175.900 -0.039 0.000 1.136 209 Y CA 1.161 59.251 58.100 -0.015 0.000 1.147 209 Y CB -1.381 37.078 38.460 -0.002 0.000 0.987 209 Y HN 0.097 nan 8.280 nan 0.000 0.509 210 P HA -0.201 nan 4.420 nan 0.000 0.216 210 P C 1.768 178.978 177.300 -0.150 0.000 1.150 210 P CA 2.038 65.047 63.100 -0.152 0.000 0.843 210 P CB -0.216 31.453 31.700 -0.052 0.000 0.787 211 L N -1.613 119.528 121.223 -0.137 0.000 2.083 211 L HA -0.150 4.192 4.340 0.005 0.000 0.209 211 L C 2.481 179.260 176.870 -0.151 0.000 1.083 211 L CA 1.331 56.057 54.840 -0.189 0.000 0.752 211 L CB -0.982 40.782 42.059 -0.492 0.000 0.899 211 L HN -0.072 nan 8.230 nan 0.000 0.433 212 I N 0.143 120.620 120.570 -0.155 0.000 2.163 212 I HA -0.301 3.871 4.170 0.005 0.000 0.243 212 I C 2.610 178.584 176.117 -0.238 0.000 1.085 212 I CA 1.558 62.772 61.300 -0.143 0.000 1.347 212 I CB -0.323 37.637 38.000 -0.066 0.000 1.044 212 I HN 0.209 nan 8.210 nan 0.000 0.408 213 K N 0.844 121.046 120.400 -0.330 0.000 2.057 213 K HA -0.134 4.189 4.320 0.005 0.000 0.207 213 K C 2.272 178.712 176.600 -0.267 0.000 1.049 213 K CA 1.484 57.564 56.287 -0.345 0.000 0.931 213 K CB -0.277 31.976 32.500 -0.411 0.000 0.714 213 K HN 0.325 nan 8.250 nan 0.000 0.440 214 A N 1.696 124.383 122.820 -0.222 0.000 1.902 214 A HA -0.184 4.139 4.320 0.005 0.000 0.217 214 A C 1.966 179.342 177.584 -0.347 0.000 1.181 214 A CA 1.354 53.227 52.037 -0.273 0.000 0.623 214 A CB -0.290 18.609 19.000 -0.169 0.000 0.818 214 A HN 0.170 nan 8.150 nan 0.000 0.443 215 E N 0.080 120.224 120.200 -0.093 0.000 2.085 215 E HA -0.184 4.169 4.350 0.005 0.000 0.194 215 E C 2.060 178.592 176.600 -0.114 0.000 0.994 215 E CA 1.245 57.668 56.400 0.038 0.000 0.801 215 E CB -0.380 29.416 29.700 0.161 0.000 0.743 215 E HN 0.698 nan 8.360 nan 0.000 0.453 216 L N 0.108 121.211 121.223 -0.200 0.000 2.044 216 L HA -0.073 4.270 4.340 0.005 0.000 0.205 216 L C 2.547 179.299 176.870 -0.197 0.000 1.075 216 L CA 0.994 55.695 54.840 -0.232 0.000 0.747 216 L CB -0.535 41.304 42.059 -0.366 0.000 0.903 216 L HN 0.029 nan 8.230 nan 0.000 0.435 217 A N -0.331 122.355 122.820 -0.223 0.000 2.125 217 A HA -0.133 4.190 4.320 0.005 0.000 0.219 217 A C 1.717 179.183 177.584 -0.198 0.000 1.156 217 A CA 1.267 53.187 52.037 -0.195 0.000 0.671 217 A CB -0.416 18.465 19.000 -0.198 0.000 0.794 217 A HN 0.434 nan 8.150 nan 0.000 0.459 218 N N -0.019 118.524 118.700 -0.261 0.000 2.268 218 N HA 0.187 4.930 4.740 0.005 0.000 0.204 218 N C -0.370 175.079 175.510 -0.101 0.000 1.124 218 N CA -0.017 52.881 53.050 -0.254 0.000 0.838 218 N CB 0.145 38.283 38.487 -0.581 0.000 0.994 218 N HN 0.423 nan 8.380 nan 0.000 0.489 219 L N 0.145 121.324 121.223 -0.073 0.000 2.499 219 L HA 0.067 4.409 4.340 0.005 0.000 0.273 219 L C 1.564 178.433 176.870 -0.001 0.000 1.195 219 L CA 0.446 55.277 54.840 -0.015 0.000 0.882 219 L CB 0.342 42.388 42.059 -0.023 0.000 1.133 219 L HN 0.287 nan 8.230 nan 0.000 0.483 220 G N 3.468 112.285 108.800 0.029 0.000 2.225 220 G HA2 -0.260 3.702 3.960 0.005 0.000 0.254 220 G HA3 -0.260 3.702 3.960 0.005 0.000 0.254 220 G C 0.486 175.413 174.900 0.045 0.000 0.988 220 G CA 0.023 45.142 45.100 0.031 0.000 0.625 220 G HN 0.482 nan 8.290 nan 0.000 0.527 221 M N 0.282 119.913 119.600 0.052 0.000 2.809 221 M HA 0.422 4.905 4.480 0.005 0.000 0.388 221 M C 1.452 177.844 176.300 0.152 0.000 1.248 221 M CA 0.677 56.022 55.300 0.075 0.000 0.885 221 M CB 0.188 32.804 32.600 0.027 0.000 1.386 221 M HN 1.381 nan 8.290 nan 0.000 0.509 222 G N 0.000 108.917 108.800 0.194 0.000 2.176 222 G HA2 -0.169 3.794 3.960 0.005 0.000 0.232 222 G HA3 -0.169 3.794 3.960 0.005 0.000 0.232 222 G C 0.442 175.564 174.900 0.370 0.000 0.986 222 G CA -0.125 45.149 45.100 0.290 0.000 0.643 222 G HN 0.685 nan 8.290 nan 0.000 0.522 223 G N -0.312 108.655 108.800 0.278 0.000 2.444 223 G HA2 0.518 4.481 3.960 0.005 0.000 0.268 223 G HA3 0.518 4.481 3.960 0.005 0.000 0.268 223 G C -0.453 174.575 174.900 0.214 0.000 1.203 223 G CA 0.166 45.432 45.100 0.277 0.000 0.835 223 G HN 0.577 nan 8.290 nan 0.000 0.543 224 N N 0.879 119.710 118.700 0.218 0.000 2.352 224 N HA 0.479 5.222 4.740 0.005 0.000 0.291 224 N C -1.692 173.899 175.510 0.135 0.000 1.040 224 N CA -1.766 51.395 53.050 0.185 0.000 0.864 224 N CB 3.146 41.767 38.487 0.225 0.000 1.440 224 N HN 0.144 nan 8.380 nan 0.000 0.483 225 P HA 0.037 nan 4.420 nan 0.000 0.227 225 P C 0.576 177.964 177.300 0.146 0.000 1.161 225 P CA 0.498 63.658 63.100 0.099 0.000 0.788 225 P CB 0.274 31.994 31.700 0.033 0.000 0.822 226 A N 0.393 123.274 122.820 0.102 0.000 2.014 226 A HA 0.126 4.449 4.320 0.005 0.000 0.218 226 A C 2.341 180.003 177.584 0.130 0.000 1.163 226 A CA 1.536 53.633 52.037 0.100 0.000 0.652 226 A CB -1.189 17.863 19.000 0.087 0.000 0.808 226 A HN 0.220 nan 8.150 nan 0.000 0.449 227 A N -0.058 122.851 122.820 0.149 0.000 1.898 227 A HA 0.311 4.633 4.320 0.005 0.000 0.214 227 A C 2.481 180.177 177.584 0.188 0.000 1.183 227 A CA 1.573 53.711 52.037 0.168 0.000 0.622 227 A CB -1.009 18.102 19.000 0.186 0.000 0.824 227 A HN 0.925 nan 8.150 nan 0.000 0.444 228 A N -0.401 122.527 122.820 0.181 0.000 1.873 228 A HA -0.213 4.110 4.320 0.005 0.000 0.218 228 A C 2.483 180.265 177.584 0.330 0.000 1.193 228 A CA 2.462 54.605 52.037 0.178 0.000 0.629 228 A CB -1.282 17.721 19.000 0.005 0.000 0.826 228 A HN 0.591 nan 8.150 nan 0.000 0.447 229 S N -0.439 115.503 115.700 0.402 0.000 2.380 229 S HA -0.257 4.216 4.470 0.005 0.000 0.229 229 S C 1.702 176.356 174.600 0.089 0.000 1.043 229 S CA 2.029 60.365 58.200 0.228 0.000 1.038 229 S CB -0.639 62.616 63.200 0.092 0.000 0.872 229 S HN 0.591 nan 8.310 nan 0.000 0.456 230 D N 0.905 121.366 120.400 0.100 0.000 2.117 230 D HA -0.026 4.617 4.640 0.005 0.000 0.198 230 D C 1.998 178.396 176.300 0.163 0.000 0.982 230 D CA 0.958 55.007 54.000 0.082 0.000 0.828 230 D CB -0.415 40.462 40.800 0.129 0.000 0.967 230 D HN 0.399 nan 8.370 nan 0.000 0.464 231 L N 0.292 121.629 121.223 0.190 0.000 2.056 231 L HA -0.147 4.196 4.340 0.005 0.000 0.207 231 L C 2.619 179.624 176.870 0.225 0.000 1.078 231 L CA 0.596 55.569 54.840 0.222 0.000 0.749 231 L CB -0.389 41.737 42.059 0.112 0.000 0.901 231 L HN 0.112 nan 8.230 nan 0.000 0.433 232 C N -0.006 119.416 119.300 0.204 0.000 2.403 232 C HA -0.191 4.272 4.460 0.005 0.000 0.279 232 C C 2.741 177.836 174.990 0.175 0.000 1.269 232 C CA 0.821 59.993 59.018 0.257 0.000 1.774 232 C CB -1.191 26.759 27.740 0.350 0.000 1.993 232 C HN 0.414 nan 8.230 nan 0.000 0.496 233 R N -1.372 119.009 120.500 -0.197 0.000 2.328 233 R HA -0.100 4.242 4.340 0.005 0.000 0.207 233 R C 0.746 176.438 176.300 -1.013 0.000 1.056 233 R CA 0.894 56.445 56.100 -0.916 0.000 1.016 233 R CB -0.102 29.540 30.300 -1.096 0.000 0.872 233 R HN 0.682 nan 8.270 nan 0.000 0.471 234 W N -0.003 121.302 121.300 0.007 0.000 2.771 234 W HA 0.351 5.014 4.660 0.005 0.000 0.412 234 W C -0.435 176.138 176.519 0.090 0.000 0.965 234 W CA -0.506 56.874 57.345 0.059 0.000 2.045 234 W CB 0.626 30.108 29.460 0.038 0.000 1.176 234 W HN -0.173 nan 8.180 nan 0.000 0.634 235 I N 3.390 124.075 120.570 0.191 0.000 2.328 235 I HA 0.173 4.346 4.170 0.005 0.000 0.287 235 I C -1.296 174.881 176.117 0.099 0.000 1.012 235 I CA -2.088 59.305 61.300 0.155 0.000 1.195 235 I CB 1.882 39.970 38.000 0.146 0.000 1.350 235 I HN -0.293 nan 8.210 nan 0.000 0.464 236 P HA -0.155 nan 4.420 nan 0.000 0.218 236 P C 0.943 178.229 177.300 -0.024 0.000 1.148 236 P CA 1.279 64.395 63.100 0.025 0.000 0.822 236 P CB 0.324 32.047 31.700 0.037 0.000 0.784 237 E N -1.050 119.128 120.200 -0.037 0.000 2.274 237 E HA -0.034 4.319 4.350 0.005 0.000 0.194 237 E C 1.895 178.427 176.600 -0.114 0.000 0.996 237 E CA 0.707 57.063 56.400 -0.073 0.000 0.840 237 E CB -0.657 28.988 29.700 -0.092 0.000 0.772 237 E HN 0.274 nan 8.360 nan 0.000 0.491 238 L N -1.369 119.784 121.223 -0.116 0.000 2.221 238 L HA 0.181 4.524 4.340 0.005 0.000 0.202 238 L C 0.041 176.570 176.870 -0.568 0.000 1.074 238 L CA 0.225 54.899 54.840 -0.278 0.000 0.795 238 L CB 0.236 42.187 42.059 -0.180 0.000 0.960 238 L HN -0.002 nan 8.230 nan 0.000 0.458 239 F N 1.252 121.027 119.950 -0.290 0.000 2.460 239 F HA 0.311 4.841 4.527 0.005 0.000 0.341 239 F C 0.634 176.109 175.800 -0.543 0.000 1.130 239 F CA -0.724 56.937 58.000 -0.566 0.000 0.962 239 F CB 0.929 39.261 39.000 -1.113 0.000 1.171 239 F HN 0.028 nan 8.300 nan 0.000 0.436 240 N N 1.824 120.394 118.700 -0.217 0.000 2.036 240 N HA 0.093 4.836 4.740 0.005 0.000 0.228 240 N C -0.651 174.861 175.510 0.003 0.000 1.368 240 N CA -0.168 52.829 53.050 -0.089 0.000 0.846 240 N CB 1.293 39.749 38.487 -0.051 0.000 1.145 240 N HN 0.746 nan 8.380 nan 0.000 0.502 241 E N -0.574 119.647 120.200 0.036 0.000 2.422 241 E HA 0.495 4.848 4.350 0.005 0.000 0.280 241 E C -0.023 176.725 176.600 0.247 0.000 1.091 241 E CA -0.666 55.824 56.400 0.150 0.000 0.849 241 E CB 1.194 30.952 29.700 0.097 0.000 1.353 241 E HN 0.010 nan 8.360 nan 0.000 0.449 242 G N 0.130 109.120 108.800 0.317 0.000 2.562 242 G HA2 -0.236 3.727 3.960 0.005 0.000 0.250 242 G HA3 -0.236 3.727 3.960 0.005 0.000 0.250 242 G C -0.845 174.341 174.900 0.476 0.000 1.269 242 G CA -0.011 45.348 45.100 0.432 0.000 0.919 242 G HN 0.476 nan 8.290 nan 0.000 0.574 243 F N -0.593 119.561 119.950 0.340 0.000 2.538 243 F HA 0.632 5.161 4.527 0.004 0.000 0.325 243 F C 0.133 176.129 175.800 0.327 0.000 1.066 243 F CA -0.600 57.577 58.000 0.295 0.000 0.946 243 F CB 2.054 41.171 39.000 0.194 0.000 1.199 243 F HN 0.651 nan 8.300 nan 0.000 0.473 244 Y N 3.592 124.098 120.300 0.343 0.000 2.330 244 Y HA 0.637 5.189 4.550 0.005 0.000 0.336 244 Y C -1.111 174.815 175.900 0.044 0.000 1.036 244 Y CA -1.005 57.230 58.100 0.224 0.000 1.125 244 Y CB 1.061 39.471 38.460 -0.083 0.000 1.194 244 Y HN 0.360 nan 8.280 nan 0.000 0.469 245 V N 2.209 121.392 119.914 -1.218 0.000 2.789 245 V HA 0.455 4.577 4.120 0.005 0.000 0.311 245 V C -0.750 174.658 176.094 -1.144 0.000 1.073 245 V CA -1.184 60.473 62.300 -1.071 0.000 0.921 245 V CB 1.696 32.925 31.823 -0.990 0.000 1.009 245 V HN 0.719 nan 8.190 nan 0.000 0.426 246 D N 1.682 121.743 120.400 -0.565 0.000 2.525 246 D HA 0.107 4.750 4.640 0.005 0.000 0.235 246 D C 1.127 177.342 176.300 -0.141 0.000 1.137 246 D CA 0.493 54.407 54.000 -0.142 0.000 0.868 246 D CB 1.316 42.131 40.800 0.024 0.000 1.180 246 D HN 0.749 nan 8.370 nan 0.000 0.465 247 I N 1.780 122.350 120.570 -0.000 0.000 2.264 247 I HA -0.292 3.881 4.170 0.005 0.000 0.248 247 I C 1.562 177.673 176.117 -0.009 0.000 1.111 247 I CA 1.425 62.732 61.300 0.013 0.000 1.382 247 I CB 0.187 38.257 38.000 0.117 0.000 1.060 247 I HN 0.388 nan 8.210 nan 0.000 0.418 248 D N 0.546 120.954 120.400 0.014 0.000 2.349 248 D HA -0.045 4.598 4.640 0.005 0.000 0.224 248 D C 0.648 176.953 176.300 0.008 0.000 1.029 248 D CA 0.140 54.144 54.000 0.006 0.000 0.879 248 D CB -0.470 40.345 40.800 0.024 0.000 0.906 248 D HN 0.292 nan 8.370 nan 0.000 0.528 249 L N 1.732 122.949 121.223 -0.010 0.000 2.349 249 L HA 0.327 4.670 4.340 0.005 0.000 0.275 249 L C -1.913 175.005 176.870 0.079 0.000 1.115 249 L CA -1.765 53.086 54.840 0.019 0.000 0.820 249 L CB 0.778 42.828 42.059 -0.014 0.000 1.135 249 L HN -0.111 nan 8.230 nan 0.000 0.445 250 P HA 0.226 nan 4.420 nan 0.000 0.281 250 P C -0.850 176.531 177.300 0.135 0.000 1.249 250 P CA -0.424 62.746 63.100 0.117 0.000 0.810 250 P CB 1.709 33.459 31.700 0.083 0.000 1.008 251 V N 2.248 122.211 119.914 0.082 0.000 2.481 251 V HA 0.176 4.298 4.120 0.005 0.000 0.286 251 V C 0.474 176.475 176.094 -0.156 0.000 1.042 251 V CA -0.171 62.042 62.300 -0.145 0.000 0.928 251 V CB 1.218 32.780 31.823 -0.434 0.000 0.986 251 V HN 0.570 nan 8.190 nan 0.000 0.462 252 D N 2.841 123.108 120.400 -0.222 0.000 2.359 252 D HA 0.181 4.824 4.640 0.005 0.000 0.230 252 D C 1.316 177.464 176.300 -0.252 0.000 1.118 252 D CA 0.121 54.029 54.000 -0.154 0.000 0.844 252 D CB 1.723 42.458 40.800 -0.108 0.000 1.059 252 D HN 0.602 nan 8.370 nan 0.000 0.493 253 S N 2.501 118.112 115.700 -0.149 0.000 2.368 253 S HA -0.303 4.170 4.470 0.005 0.000 0.226 253 S C 1.939 176.491 174.600 -0.080 0.000 1.044 253 S CA 1.740 59.898 58.200 -0.069 0.000 1.062 253 S CB -0.696 62.620 63.200 0.193 0.000 0.931 253 S HN 0.533 nan 8.310 nan 0.000 0.440 254 S N 1.782 117.448 115.700 -0.057 0.000 2.469 254 S HA 0.023 4.496 4.470 0.005 0.000 0.238 254 S C 1.575 176.120 174.600 -0.091 0.000 0.998 254 S CA 0.842 59.008 58.200 -0.057 0.000 0.957 254 S CB -0.419 62.756 63.200 -0.041 0.000 0.764 254 S HN 0.599 nan 8.310 nan 0.000 0.514 255 K N 0.403 120.720 120.400 -0.137 0.000 2.361 255 K HA 0.303 4.625 4.320 0.005 0.000 0.196 255 K C 0.262 176.750 176.600 -0.187 0.000 1.039 255 K CA 0.010 56.200 56.287 -0.161 0.000 1.001 255 K CB -0.065 32.319 32.500 -0.192 0.000 0.795 255 K HN 0.449 nan 8.250 nan 0.000 0.495 256 I N 2.273 122.717 120.570 -0.210 0.000 2.683 256 I HA -0.075 4.098 4.170 0.005 0.000 0.286 256 I C 0.226 176.250 176.117 -0.155 0.000 1.175 256 I CA 0.039 61.221 61.300 -0.198 0.000 1.429 256 I CB 0.536 38.434 38.000 -0.170 0.000 1.371 256 I HN -0.212 nan 8.210 nan 0.000 0.569 257 V N 6.636 126.455 119.914 -0.158 0.000 2.617 257 V HA 0.063 4.185 4.120 0.005 0.000 0.298 257 V C 1.157 177.093 176.094 -0.263 0.000 1.048 257 V CA -0.382 61.831 62.300 -0.144 0.000 0.964 257 V CB 1.694 33.472 31.823 -0.075 0.000 1.004 257 V HN 0.922 nan 8.190 nan 0.000 0.466 258 E N 2.574 122.651 120.200 -0.205 0.000 2.299 258 E HA -0.008 4.345 4.350 0.005 0.000 0.193 258 E C 1.632 178.084 176.600 -0.247 0.000 0.998 258 E CA 1.042 57.288 56.400 -0.256 0.000 0.851 258 E CB -0.036 29.589 29.700 -0.126 0.000 0.795 258 E HN 0.814 nan 8.360 nan 0.000 0.492 259 G N 0.029 108.749 108.800 -0.134 0.000 2.813 259 G HA2 -0.143 3.820 3.960 0.005 0.000 0.209 259 G HA3 -0.143 3.820 3.960 0.005 0.000 0.209 259 G C 0.048 174.979 174.900 0.052 0.000 1.150 259 G CA 0.301 45.382 45.100 -0.032 0.000 0.785 259 G HN 0.389 nan 8.290 nan 0.000 0.535 260 H N -0.854 118.234 119.070 0.030 0.000 2.776 260 H HA -0.164 4.394 4.556 0.005 0.000 0.300 260 H C 0.401 175.782 175.328 0.089 0.000 1.161 260 H CA 1.614 57.687 56.048 0.042 0.000 1.147 260 H CB -1.337 28.452 29.762 0.045 0.000 1.366 260 H HN 0.666 nan 8.280 nan 0.000 0.397 261 Q N 0.367 120.268 119.800 0.168 0.000 2.289 261 Q HA 0.633 4.976 4.340 0.005 0.000 0.270 261 Q C -0.536 175.571 176.000 0.178 0.000 1.038 261 Q CA -0.870 55.047 55.803 0.189 0.000 0.812 261 Q CB 2.161 30.986 28.738 0.145 0.000 1.300 261 Q HN 0.401 nan 8.270 nan 0.000 0.427 262 I N -0.622 120.105 120.570 0.262 0.000 3.206 262 I HA 0.796 4.969 4.170 0.005 0.000 0.313 262 I C -0.494 175.852 176.117 0.383 0.000 1.103 262 I CA -0.921 60.529 61.300 0.249 0.000 0.985 262 I CB 2.347 40.470 38.000 0.205 0.000 1.240 262 I HN 0.709 nan 8.210 nan 0.000 0.464 263 T N -0.650 114.109 114.554 0.342 0.000 2.907 263 T HA 0.920 5.273 4.350 0.005 0.000 0.290 263 T C -0.266 174.724 174.700 0.483 0.000 1.066 263 T CA -0.517 61.844 62.100 0.435 0.000 1.012 263 T CB 1.728 70.756 68.868 0.266 0.000 1.184 263 T HN 1.247 nan 8.240 nan 0.000 0.522 264 G N -1.438 107.731 108.800 0.615 0.000 2.645 264 G HA2 0.580 4.542 3.960 0.005 0.000 0.292 264 G HA3 0.580 4.542 3.960 0.005 0.000 0.292 264 G C 0.152 175.351 174.900 0.497 0.000 1.415 264 G CA -0.358 45.054 45.100 0.520 0.000 0.785 264 G HN 1.141 nan 8.290 nan 0.000 0.483 265 G N -1.338 107.688 108.800 0.377 0.000 3.159 265 G HA2 0.494 4.457 3.960 0.005 0.000 0.232 265 G HA3 0.494 4.457 3.960 0.005 0.000 0.232 265 G C 0.244 175.373 174.900 0.383 0.000 1.116 265 G CA 0.847 46.129 45.100 0.303 0.000 0.767 265 G HN 1.509 nan 8.290 nan 0.000 0.547 266 V N -3.792 116.214 119.914 0.153 0.000 3.078 266 V HA 0.656 4.778 4.120 0.005 0.000 0.311 266 V C -2.284 173.481 176.094 -0.549 0.000 1.138 266 V CA -2.194 59.937 62.300 -0.282 0.000 1.007 266 V CB 2.290 34.056 31.823 -0.094 0.000 1.045 266 V HN -0.126 nan 8.190 nan 0.000 0.432 267 P HA 0.296 nan 4.420 nan 0.000 0.239 267 P C 0.202 177.450 177.300 -0.088 0.000 1.188 267 P CA 0.652 63.273 63.100 -0.798 0.000 0.794 267 P CB 0.531 31.654 31.700 -0.962 0.000 0.937 268 I N 0.460 121.025 120.570 -0.008 0.000 2.410 268 I HA 0.324 4.497 4.170 0.005 0.000 0.286 268 I C 0.232 176.376 176.117 0.045 0.000 1.009 268 I CA -0.714 60.622 61.300 0.060 0.000 1.111 268 I CB 1.756 39.826 38.000 0.117 0.000 1.262 268 I HN -0.267 nan 8.210 nan 0.000 0.443 269 M N 6.342 125.848 119.600 -0.157 0.000 2.598 269 M HA 0.631 5.114 4.480 0.005 0.000 0.317 269 M C -1.130 175.088 176.300 -0.137 0.000 1.201 269 M CA -0.737 54.446 55.300 -0.196 0.000 0.971 269 M CB 2.270 34.635 32.600 -0.392 0.000 1.657 269 M HN 0.307 nan 8.290 nan 0.000 0.470 270 L N 0.527 121.744 121.223 -0.011 0.000 2.341 270 L HA 0.418 4.761 4.340 0.005 0.000 0.254 270 L C -0.106 176.807 176.870 0.072 0.000 1.040 270 L CA -0.534 54.330 54.840 0.041 0.000 0.837 270 L CB 1.789 43.930 42.059 0.136 0.000 1.425 270 L HN 0.646 nan 8.230 nan 0.000 0.414 271 N N 1.451 120.199 118.700 0.080 0.000 2.434 271 N HA 0.284 5.027 4.740 0.005 0.000 0.268 271 N C -1.205 174.310 175.510 0.008 0.000 1.256 271 N CA 0.074 53.172 53.050 0.080 0.000 0.914 271 N CB 0.386 38.882 38.487 0.015 0.000 1.088 271 N HN 0.424 nan 8.380 nan 0.000 0.478 272 M N 2.059 121.663 119.600 0.006 0.000 2.644 272 M HA 0.551 5.034 4.480 0.005 0.000 0.304 272 M C 0.224 176.150 176.300 -0.624 0.000 1.215 272 M CA -0.840 54.336 55.300 -0.206 0.000 0.871 272 M CB 2.424 35.019 32.600 -0.008 0.000 1.740 272 M HN 0.610 nan 8.290 nan 0.000 0.464 273 G N 0.324 108.479 108.800 -1.074 0.000 2.706 273 G HA2 0.807 4.770 3.960 0.005 0.000 0.307 273 G HA3 0.807 4.770 3.960 0.005 0.000 0.307 273 G C -1.786 172.372 174.900 -1.236 0.000 1.307 273 G CA -0.481 43.789 45.100 -1.384 0.000 0.790 273 G HN 0.845 nan 8.290 nan 0.000 0.503 274 S N -1.518 113.816 115.700 -0.609 0.000 2.570 274 S HA 0.719 5.192 4.470 0.005 0.000 0.270 274 S C -1.337 173.188 174.600 -0.125 0.000 1.149 274 S CA -0.791 57.243 58.200 -0.277 0.000 0.837 274 S CB 1.636 64.810 63.200 -0.043 0.000 1.124 274 S HN 0.736 nan 8.310 nan 0.000 0.465 275 I N 2.115 122.631 120.570 -0.090 0.000 2.389 275 I HA 0.359 4.532 4.170 0.005 0.000 0.288 275 I C -0.815 175.259 176.117 -0.071 0.000 0.999 275 I CA -0.963 60.290 61.300 -0.079 0.000 1.129 275 I CB 1.413 39.364 38.000 -0.082 0.000 1.288 275 I HN 0.542 nan 8.210 nan 0.000 0.444 276 I N 5.493 125.995 120.570 -0.114 0.000 2.352 276 I HA 0.132 4.304 4.170 0.005 0.000 0.290 276 I C 1.025 177.077 176.117 -0.108 0.000 1.036 276 I CA 0.104 61.297 61.300 -0.178 0.000 1.336 276 I CB 0.875 38.659 38.000 -0.360 0.000 1.407 276 I HN 0.620 nan 8.210 nan 0.000 0.497 277 S N 6.434 122.092 115.700 -0.070 0.000 2.626 277 S HA 0.288 4.761 4.470 0.005 0.000 0.257 277 S C 0.264 174.830 174.600 -0.055 0.000 1.288 277 S CA -0.691 57.480 58.200 -0.048 0.000 0.980 277 S CB 1.004 64.189 63.200 -0.025 0.000 0.975 277 S HN 0.495 nan 8.310 nan 0.000 0.577 278 E N 1.495 121.665 120.200 -0.049 0.000 2.408 278 E HA 0.274 4.627 4.350 0.005 0.000 0.259 278 E C -2.363 174.184 176.600 -0.088 0.000 1.110 278 E CA -1.974 54.389 56.400 -0.060 0.000 0.929 278 E CB -0.593 29.081 29.700 -0.044 0.000 0.971 278 E HN 0.430 nan 8.360 nan 0.000 0.438 279 P HA 0.000 nan 4.420 nan 0.000 0.264 279 P C -0.397 176.793 177.300 -0.183 0.000 1.183 279 P CA 0.556 63.487 63.100 -0.282 0.000 0.763 279 P CB 0.209 31.448 31.700 -0.768 0.000 0.807 280 I N -0.725 119.789 120.570 -0.093 0.000 2.957 280 I HA 0.841 5.014 4.170 0.005 0.000 0.310 280 I C -0.292 175.837 176.117 0.020 0.000 1.063 280 I CA -1.713 59.576 61.300 -0.018 0.000 1.033 280 I CB 2.156 40.157 38.000 0.003 0.000 1.230 280 I HN 0.193 nan 8.210 nan 0.000 0.447 281 A N 3.359 126.194 122.820 0.024 0.000 2.346 281 A HA 0.593 4.916 4.320 0.005 0.000 0.252 281 A C -1.557 176.008 177.584 -0.031 0.000 1.089 281 A CA -0.947 51.097 52.037 0.011 0.000 0.797 281 A CB -0.578 18.423 19.000 0.002 0.000 1.047 281 A HN 0.818 nan 8.150 nan 0.000 0.494 282 P HA 0.093 nan 4.420 nan 0.000 0.257 282 P C 0.146 177.315 177.300 -0.219 0.000 1.241 282 P CA 0.800 63.774 63.100 -0.209 0.000 0.816 282 P CB 0.194 31.687 31.700 -0.345 0.000 1.150 283 H N -1.389 117.725 119.070 0.074 0.000 2.520 283 H HA 0.121 4.679 4.556 0.005 0.000 0.284 283 H C -0.056 175.363 175.328 0.151 0.000 1.037 283 H CA -0.300 55.800 56.048 0.087 0.000 1.168 283 H CB -0.528 29.271 29.762 0.062 0.000 1.497 283 H HN 0.210 nan 8.280 nan 0.000 0.547 284 H N 0.892 120.015 119.070 0.089 0.000 2.626 284 H HA -0.179 4.379 4.556 0.004 0.000 0.317 284 H C -0.278 175.103 175.328 0.087 0.000 1.140 284 H CA 0.311 56.401 56.048 0.071 0.000 1.134 284 H CB -1.048 28.747 29.762 0.056 0.000 1.486 284 H HN 0.368 nan 8.280 nan 0.000 0.417 285 R N 0.898 121.433 120.500 0.058 0.000 2.589 285 R HA 0.483 4.826 4.340 0.005 0.000 0.293 285 R C 0.188 176.495 176.300 0.012 0.000 0.963 285 R CA -1.108 55.019 56.100 0.045 0.000 0.905 285 R CB 1.408 31.766 30.300 0.096 0.000 1.144 285 R HN 0.228 nan 8.270 nan 0.000 0.459 286 R N 1.637 122.155 120.500 0.029 0.000 2.543 286 R HA 0.067 4.409 4.340 0.005 0.000 0.277 286 R C -0.208 176.153 176.300 0.101 0.000 1.074 286 R CA -0.244 55.880 56.100 0.040 0.000 1.076 286 R CB 0.505 30.832 30.300 0.045 0.000 0.993 286 R HN 0.237 nan 8.270 nan 0.000 0.459 287 Q N 1.398 121.239 119.800 0.069 0.000 2.309 287 Q HA 0.179 4.522 4.340 0.005 0.000 0.264 287 Q C -1.040 175.011 176.000 0.084 0.000 1.008 287 Q CA -0.389 55.471 55.803 0.094 0.000 0.853 287 Q CB 1.853 30.631 28.738 0.067 0.000 1.314 287 Q HN 0.490 nan 8.270 nan 0.000 0.448 288 E N 0.864 121.147 120.200 0.138 0.000 2.174 288 E HA 0.641 4.994 4.350 0.005 0.000 0.282 288 E C -1.379 175.300 176.600 0.131 0.000 0.992 288 E CA -0.622 55.850 56.400 0.121 0.000 0.803 288 E CB 0.820 30.652 29.700 0.221 0.000 1.090 288 E HN 0.597 nan 8.360 nan 0.000 0.396 289 A N 4.646 127.521 122.820 0.091 0.000 2.273 289 A HA 0.397 4.720 4.320 0.005 0.000 0.315 289 A C -0.586 177.044 177.584 0.076 0.000 1.256 289 A CA -0.730 51.376 52.037 0.114 0.000 0.851 289 A CB 1.043 20.093 19.000 0.084 0.000 1.172 289 A HN 0.486 nan 8.150 nan 0.000 0.508 290 V N 2.253 122.246 119.914 0.131 0.000 2.637 290 V HA 0.255 4.378 4.120 0.005 0.000 0.296 290 V C 0.685 176.738 176.094 -0.069 0.000 1.046 290 V CA -0.270 62.014 62.300 -0.026 0.000 1.066 290 V CB 0.068 31.886 31.823 -0.008 0.000 0.968 290 V HN 1.067 nan 8.190 nan 0.000 0.483 291 C N 4.870 124.021 119.300 -0.248 0.000 2.529 291 C HA 0.949 5.412 4.460 0.005 0.000 0.329 291 C C -0.421 174.423 174.990 -0.244 0.000 1.194 291 C CA -1.072 57.800 59.018 -0.244 0.000 1.779 291 C CB 0.947 28.529 27.740 -0.262 0.000 2.322 291 C HN 0.848 nan 8.230 nan 0.000 0.500 292 M N 2.464 121.969 119.600 -0.158 0.000 2.531 292 M HA 0.505 4.988 4.480 0.005 0.000 0.286 292 M C -1.041 175.228 176.300 -0.053 0.000 1.232 292 M CA -0.228 55.024 55.300 -0.080 0.000 0.877 292 M CB 2.269 34.879 32.600 0.016 0.000 1.726 292 M HN 0.852 nan 8.290 nan 0.000 0.463 293 N N -0.637 118.051 118.700 -0.020 0.000 2.525 293 N HA 0.581 5.323 4.740 0.005 0.000 0.270 293 N C -0.570 174.971 175.510 0.051 0.000 1.321 293 N CA -0.390 52.659 53.050 -0.002 0.000 0.797 293 N CB 2.057 40.520 38.487 -0.039 0.000 1.529 293 N HN 0.739 nan 8.380 nan 0.000 0.491 294 T N -2.671 111.927 114.554 0.073 0.000 3.132 294 T HA 0.116 4.469 4.350 0.005 0.000 0.274 294 T C 0.498 175.290 174.700 0.154 0.000 1.011 294 T CA -0.184 61.976 62.100 0.101 0.000 0.899 294 T CB -0.223 68.711 68.868 0.110 0.000 1.089 294 T HN 0.537 nan 8.240 nan 0.000 0.543 295 D N 1.982 122.468 120.400 0.143 0.000 2.218 295 D HA -0.029 4.614 4.640 0.005 0.000 0.204 295 D C 0.578 176.967 176.300 0.149 0.000 0.976 295 D CA 0.520 54.630 54.000 0.185 0.000 0.853 295 D CB -0.082 40.758 40.800 0.067 0.000 0.939 295 D HN 0.518 nan 8.370 nan 0.000 0.481 296 I N 0.307 120.951 120.570 0.123 0.000 2.499 296 I HA 0.373 4.546 4.170 0.005 0.000 0.288 296 I C -0.766 175.420 176.117 0.115 0.000 1.048 296 I CA -0.779 60.595 61.300 0.124 0.000 1.062 296 I CB 2.253 40.363 38.000 0.185 0.000 1.238 296 I HN -0.215 nan 8.210 nan 0.000 0.426 297 I N 5.150 125.757 120.570 0.062 0.000 2.569 297 I HA 0.679 4.852 4.170 0.005 0.000 0.290 297 I C -0.353 175.433 176.117 -0.551 0.000 1.088 297 I CA -0.640 60.509 61.300 -0.252 0.000 1.047 297 I CB 2.208 39.942 38.000 -0.442 0.000 1.237 297 I HN 0.581 nan 8.210 nan 0.000 0.421 298 A N 5.571 127.922 122.820 -0.782 0.000 2.342 298 A HA 0.828 5.150 4.320 0.005 0.000 0.323 298 A C -1.692 175.605 177.584 -0.480 0.000 1.125 298 A CA -0.356 51.099 52.037 -0.971 0.000 0.785 298 A CB 0.795 18.967 19.000 -1.380 0.000 1.221 298 A HN 0.605 nan 8.150 nan 0.000 0.463 299 Y N 1.270 121.613 120.300 0.072 0.000 2.326 299 Y HA 0.548 5.101 4.550 0.005 0.000 0.331 299 Y C 0.747 176.762 175.900 0.191 0.000 0.962 299 Y CA -0.363 57.844 58.100 0.179 0.000 1.167 299 Y CB 1.770 40.279 38.460 0.081 0.000 1.148 299 Y HN 0.887 nan 8.280 nan 0.000 0.463 300 A N 2.756 125.599 122.820 0.037 0.000 2.425 300 A HA 0.186 4.509 4.320 0.005 0.000 0.242 300 A C 0.239 177.753 177.584 -0.117 0.000 1.077 300 A CA -0.678 51.063 52.037 -0.494 0.000 0.781 300 A CB 0.195 18.784 19.000 -0.685 0.000 1.020 300 A HN 0.815 nan 8.150 nan 0.000 0.494 301 N N 2.488 121.123 118.700 -0.109 0.000 2.895 301 N HA 0.122 4.865 4.740 0.005 0.000 0.277 301 N C -0.966 174.543 175.510 -0.001 0.000 1.185 301 N CA 0.438 53.477 53.050 -0.019 0.000 1.106 301 N CB 0.077 38.559 38.487 -0.009 0.000 1.422 301 N HN 0.680 nan 8.380 nan 0.000 0.521 302 D N 0.238 120.650 120.400 0.020 0.000 2.722 302 D HA 0.006 4.648 4.640 0.005 0.000 0.231 302 D C 0.908 177.243 176.300 0.059 0.000 1.218 302 D CA -0.445 53.591 54.000 0.060 0.000 0.753 302 D CB 1.614 42.503 40.800 0.147 0.000 1.471 302 D HN 0.307 nan 8.370 nan 0.000 0.455 303 R N 1.817 122.361 120.500 0.073 0.000 2.105 303 R HA -0.087 4.255 4.340 0.005 0.000 0.239 303 R C 0.909 177.250 176.300 0.068 0.000 1.135 303 R CA 1.153 57.293 56.100 0.067 0.000 0.967 303 R CB -0.107 30.235 30.300 0.071 0.000 0.861 303 R HN 0.295 nan 8.270 nan 0.000 0.442 304 E N 0.741 120.992 120.200 0.086 0.000 2.209 304 E HA -0.133 4.220 4.350 0.005 0.000 0.196 304 E C 1.859 178.403 176.600 -0.094 0.000 0.993 304 E CA 1.733 58.140 56.400 0.012 0.000 0.819 304 E CB -0.267 29.419 29.700 -0.023 0.000 0.745 304 E HN 0.493 nan 8.360 nan 0.000 0.477 305 T N 1.524 116.033 114.554 -0.074 0.000 2.684 305 T HA -0.195 4.158 4.350 0.005 0.000 0.267 305 T C 1.811 176.547 174.700 0.060 0.000 1.036 305 T CA 1.494 63.586 62.100 -0.014 0.000 1.148 305 T CB -0.148 68.745 68.868 0.040 0.000 0.863 305 T HN 0.087 nan 8.240 nan 0.000 0.436 306 Q N 0.417 120.253 119.800 0.059 0.000 2.170 306 Q HA 0.010 4.353 4.340 0.005 0.000 0.203 306 Q C 2.438 178.489 176.000 0.085 0.000 0.976 306 Q CA 0.756 56.605 55.803 0.076 0.000 0.858 306 Q CB -0.732 28.040 28.738 0.058 0.000 0.907 306 Q HN 0.366 nan 8.270 nan 0.000 0.433 307 V N 0.135 120.093 119.914 0.073 0.000 2.379 307 V HA -0.217 3.906 4.120 0.005 0.000 0.245 307 V C 2.098 178.244 176.094 0.087 0.000 1.044 307 V CA 1.816 64.165 62.300 0.082 0.000 1.036 307 V CB -0.480 31.401 31.823 0.096 0.000 0.664 307 V HN 0.445 nan 8.190 nan 0.000 0.453 308 M N -1.124 118.521 119.600 0.076 0.000 2.132 308 M HA -0.176 4.307 4.480 0.005 0.000 0.263 308 M C 2.222 178.610 176.300 0.147 0.000 1.065 308 M CA 1.904 57.256 55.300 0.086 0.000 1.122 308 M CB -0.122 32.505 32.600 0.046 0.000 1.365 308 M HN 0.229 nan 8.290 nan 0.000 0.411 309 M N -0.148 119.582 119.600 0.217 0.000 2.213 309 M HA -0.227 4.256 4.480 0.005 0.000 0.263 309 M C 1.397 177.828 176.300 0.219 0.000 1.062 309 M CA 1.760 57.261 55.300 0.334 0.000 1.105 309 M CB -0.587 32.197 32.600 0.306 0.000 1.385 309 M HN 0.321 nan 8.290 nan 0.000 0.417 310 D N -0.325 120.157 120.400 0.137 0.000 2.183 310 D HA -0.127 4.515 4.640 0.005 0.000 0.203 310 D C 1.926 178.263 176.300 0.061 0.000 0.969 310 D CA 1.846 55.904 54.000 0.096 0.000 0.842 310 D CB 0.091 40.937 40.800 0.077 0.000 0.957 310 D HN 0.378 nan 8.370 nan 0.000 0.484 311 T N -2.017 112.564 114.554 0.045 0.000 2.788 311 T HA -0.124 4.229 4.350 0.005 0.000 0.268 311 T C 2.034 176.711 174.700 -0.037 0.000 1.044 311 T CA 1.479 63.582 62.100 0.005 0.000 1.139 311 T CB -0.729 68.134 68.868 -0.009 0.000 0.867 311 T HN -0.016 nan 8.240 nan 0.000 0.454 312 V N 1.794 121.659 119.914 -0.081 0.000 2.548 312 V HA 0.112 4.235 4.120 0.005 0.000 0.249 312 V C 3.238 179.251 176.094 -0.135 0.000 1.055 312 V CA 1.263 63.420 62.300 -0.238 0.000 1.065 312 V CB -1.272 30.195 31.823 -0.593 0.000 0.681 312 V HN 0.702 nan 8.190 nan 0.000 0.462 313 A N 0.023 122.839 122.820 -0.006 0.000 1.930 313 A HA -0.076 4.247 4.320 0.005 0.000 0.217 313 A C 2.161 179.763 177.584 0.029 0.000 1.175 313 A CA 1.384 53.449 52.037 0.046 0.000 0.627 313 A CB -0.437 18.635 19.000 0.119 0.000 0.815 313 A HN 0.501 nan 8.150 nan 0.000 0.443 314 L N -1.552 119.690 121.223 0.032 0.000 2.141 314 L HA -0.178 4.165 4.340 0.005 0.000 0.209 314 L C 2.554 179.443 176.870 0.031 0.000 1.094 314 L CA 1.648 56.505 54.840 0.029 0.000 0.763 314 L CB -0.657 41.419 42.059 0.029 0.000 0.908 314 L HN 0.614 nan 8.230 nan 0.000 0.437 315 H N 0.406 119.435 119.070 -0.068 0.000 2.357 315 H HA -0.099 4.460 4.556 0.005 0.000 0.301 315 H C 2.185 177.480 175.328 -0.054 0.000 1.082 315 H CA 1.493 57.496 56.048 -0.076 0.000 1.342 315 H CB 0.105 29.795 29.762 -0.119 0.000 1.389 315 H HN 0.150 nan 8.280 nan 0.000 0.511 316 L N 0.034 121.253 121.223 -0.007 0.000 2.093 316 L HA -0.130 4.213 4.340 0.005 0.000 0.208 316 L C 2.512 179.400 176.870 0.029 0.000 1.085 316 L CA 1.426 56.267 54.840 0.002 0.000 0.755 316 L CB -0.419 41.649 42.059 0.016 0.000 0.904 316 L HN 0.213 nan 8.230 nan 0.000 0.435 317 K N 0.859 121.257 120.400 -0.002 0.000 2.032 317 K HA -0.184 4.139 4.320 0.005 0.000 0.209 317 K C 1.870 178.472 176.600 0.004 0.000 1.048 317 K CA 1.592 57.882 56.287 0.006 0.000 0.927 317 K CB -0.309 32.192 32.500 0.002 0.000 0.712 317 K HN 0.145 nan 8.250 nan 0.000 0.441 318 N N 0.540 119.205 118.700 -0.060 0.000 2.104 318 N HA -0.145 4.598 4.740 0.005 0.000 0.190 318 N C 1.869 177.308 175.510 -0.118 0.000 1.024 318 N CA 1.770 54.761 53.050 -0.099 0.000 0.853 318 N CB -0.198 38.199 38.487 -0.150 0.000 1.008 318 N HN 0.290 nan 8.380 nan 0.000 0.424 319 I N -0.372 120.098 120.570 -0.167 0.000 2.252 319 I HA -0.264 3.909 4.170 0.005 0.000 0.245 319 I C 1.765 177.803 176.117 -0.130 0.000 1.102 319 I CA 0.928 62.122 61.300 -0.176 0.000 1.385 319 I CB -0.305 37.578 38.000 -0.194 0.000 1.064 319 I HN 0.097 nan 8.210 nan 0.000 0.414 320 Y N 0.941 121.149 120.300 -0.155 0.000 2.333 320 Y HA -0.276 4.277 4.550 0.005 0.000 0.290 320 Y C 2.274 178.096 175.900 -0.130 0.000 1.144 320 Y CA 1.241 59.250 58.100 -0.151 0.000 1.228 320 Y CB -0.129 38.269 38.460 -0.104 0.000 0.985 320 Y HN 0.223 nan 8.280 nan 0.000 0.542 321 D N -0.593 119.825 120.400 0.030 0.000 2.137 321 D HA -0.093 4.549 4.640 0.005 0.000 0.202 321 D C 0.121 176.408 176.300 -0.022 0.000 0.970 321 D CA 1.280 55.285 54.000 0.009 0.000 0.837 321 D CB -0.081 40.724 40.800 0.009 0.000 0.981 321 D HN 0.233 nan 8.370 nan 0.000 0.475 322 D N -0.408 119.961 120.400 -0.052 0.000 2.404 322 D HA 0.158 4.801 4.640 0.005 0.000 0.267 322 D C -2.023 174.197 176.300 -0.133 0.000 1.194 322 D CA -1.716 52.262 54.000 -0.037 0.000 0.910 322 D CB 1.604 42.403 40.800 -0.002 0.000 1.090 322 D HN -0.155 nan 8.370 nan 0.000 0.511 323 P HA -0.061 nan 4.420 nan 0.000 0.236 323 P C 0.776 177.806 177.300 -0.450 0.000 1.177 323 P CA 0.462 63.291 63.100 -0.452 0.000 0.773 323 P CB 0.079 31.386 31.700 -0.655 0.000 0.878 324 Y N 0.215 120.431 120.300 -0.141 0.000 2.293 324 Y HA -0.101 4.452 4.550 0.005 0.000 0.291 324 Y C 2.590 178.515 175.900 0.042 0.000 1.137 324 Y CA 1.520 59.561 58.100 -0.097 0.000 1.202 324 Y CB -1.572 36.741 38.460 -0.245 0.000 0.990 324 Y HN -0.054 nan 8.280 nan 0.000 0.537 325 T N -0.359 114.245 114.554 0.084 0.000 2.812 325 T HA -0.122 4.231 4.350 0.005 0.000 0.264 325 T C 2.252 176.970 174.700 0.031 0.000 1.042 325 T CA 1.182 63.317 62.100 0.059 0.000 1.140 325 T CB -0.501 68.378 68.868 0.019 0.000 0.870 325 T HN 0.423 nan 8.240 nan 0.000 0.445 326 A N 1.294 124.100 122.820 -0.024 0.000 1.902 326 A HA 0.075 4.397 4.320 0.005 0.000 0.217 326 A C 1.964 179.542 177.584 -0.011 0.000 1.181 326 A CA 1.112 53.129 52.037 -0.033 0.000 0.623 326 A CB -0.679 18.264 19.000 -0.095 0.000 0.818 326 A HN 0.505 nan 8.150 nan 0.000 0.443 327 L N 0.105 121.335 121.223 0.011 0.000 2.627 327 L HA 0.003 4.345 4.340 0.005 0.000 0.232 327 L C 2.143 179.041 176.870 0.046 0.000 1.150 327 L CA 0.609 55.476 54.840 0.045 0.000 0.917 327 L CB -0.262 41.876 42.059 0.131 0.000 1.104 327 L HN 0.566 nan 8.230 nan 0.000 0.445 328 K N -0.755 119.688 120.400 0.072 0.000 2.147 328 K HA -0.144 4.179 4.320 0.005 0.000 0.205 328 K C 0.399 176.972 176.600 -0.045 0.000 1.049 328 K CA 1.456 57.775 56.287 0.054 0.000 0.936 328 K CB -0.031 32.517 32.500 0.079 0.000 0.722 328 K HN 0.146 nan 8.250 nan 0.000 0.446 329 D N 1.705 122.082 120.400 -0.037 0.000 2.342 329 D HA 0.014 4.657 4.640 0.005 0.000 0.221 329 D C 0.081 176.343 176.300 -0.064 0.000 1.101 329 D CA 0.339 54.311 54.000 -0.046 0.000 0.837 329 D CB 0.562 41.350 40.800 -0.021 0.000 0.938 329 D HN 0.439 nan 8.370 nan 0.000 0.508 330 T N -2.790 111.709 114.554 -0.092 0.000 2.881 330 T HA 0.333 4.685 4.350 0.005 0.000 0.278 330 T C -1.804 172.850 174.700 -0.076 0.000 0.982 330 T CA -1.573 60.482 62.100 -0.076 0.000 0.989 330 T CB 1.905 70.735 68.868 -0.062 0.000 1.058 330 T HN -0.322 nan 8.240 nan 0.000 0.529 331 P HA 0.053 nan 4.420 nan 0.000 0.221 331 P C 1.559 178.987 177.300 0.213 0.000 1.150 331 P CA 0.134 63.281 63.100 0.078 0.000 0.800 331 P CB -0.028 31.680 31.700 0.013 0.000 0.787 332 L N -0.292 121.051 121.223 0.201 0.000 2.201 332 L HA -0.024 4.319 4.340 0.005 0.000 0.212 332 L C 2.070 178.719 176.870 -0.368 0.000 1.105 332 L CA 1.460 56.341 54.840 0.068 0.000 0.775 332 L CB -1.259 40.887 42.059 0.144 0.000 0.913 332 L HN -0.127 nan 8.230 nan 0.000 0.440 333 A N -1.435 120.932 122.820 -0.755 0.000 2.125 333 A HA -0.153 4.170 4.320 0.005 0.000 0.219 333 A C 1.970 179.209 177.584 -0.575 0.000 1.156 333 A CA 1.130 52.286 52.037 -1.467 0.000 0.671 333 A CB -0.369 18.000 19.000 -1.052 0.000 0.794 333 A HN 0.545 nan 8.150 nan 0.000 0.459 334 Q N 0.109 119.756 119.800 -0.255 0.000 2.425 334 Q HA 0.021 4.364 4.340 0.005 0.000 0.204 334 Q C 0.838 176.788 176.000 -0.083 0.000 0.933 334 Q CA 0.932 56.668 55.803 -0.112 0.000 0.939 334 Q CB -0.468 28.248 28.738 -0.037 0.000 1.044 334 Q HN 0.760 nan 8.270 nan 0.000 0.513 335 T N -3.461 111.018 114.554 -0.125 0.000 2.913 335 T HA 0.537 4.890 4.350 0.005 0.000 0.287 335 T C 1.261 175.889 174.700 -0.121 0.000 1.008 335 T CA 0.018 62.015 62.100 -0.173 0.000 1.067 335 T CB 1.696 70.323 68.868 -0.401 0.000 0.996 335 T HN 0.038 nan 8.240 nan 0.000 0.513 336 A N 1.918 124.648 122.820 -0.150 0.000 1.969 336 A HA 0.063 4.385 4.320 0.005 0.000 0.218 336 A C 1.858 179.399 177.584 -0.072 0.000 1.169 336 A CA 1.190 53.171 52.037 -0.094 0.000 0.635 336 A CB -1.177 17.768 19.000 -0.093 0.000 0.810 336 A HN 0.956 nan 8.150 nan 0.000 0.445 337 F N -0.550 119.208 119.950 -0.321 0.000 2.126 337 F HA -0.194 4.335 4.527 0.005 0.000 0.299 337 F C 1.920 177.675 175.800 -0.075 0.000 1.096 337 F CA 2.107 59.958 58.000 -0.249 0.000 1.255 337 F CB -0.285 38.378 39.000 -0.562 0.000 0.997 337 F HN 0.314 nan 8.300 nan 0.000 0.479 338 F N 1.281 121.036 119.950 -0.326 0.000 2.113 338 F HA -0.179 4.351 4.527 0.005 0.000 0.297 338 F C 2.028 177.687 175.800 -0.235 0.000 1.103 338 F CA 1.983 59.829 58.000 -0.256 0.000 1.248 338 F CB -0.740 38.215 39.000 -0.076 0.000 0.999 338 F HN -0.086 nan 8.300 nan 0.000 0.475 339 N N 0.464 119.214 118.700 0.082 0.000 2.060 339 N HA -0.210 4.533 4.740 0.005 0.000 0.195 339 N C 1.861 177.233 175.510 -0.230 0.000 1.028 339 N CA 1.877 54.893 53.050 -0.057 0.000 0.861 339 N CB -0.275 38.198 38.487 -0.023 0.000 1.029 339 N HN 0.296 nan 8.380 nan 0.000 0.428 340 R N -0.486 119.867 120.500 -0.245 0.000 2.073 340 R HA 0.080 4.423 4.340 0.005 0.000 0.229 340 R C 2.142 178.235 176.300 -0.346 0.000 1.120 340 R CA 0.962 56.914 56.100 -0.246 0.000 0.967 340 R CB -0.545 29.652 30.300 -0.172 0.000 0.862 340 R HN 0.306 nan 8.270 nan 0.000 0.436 341 C N 0.639 119.640 119.300 -0.498 0.000 2.411 341 C HA -0.107 4.356 4.460 0.005 0.000 0.279 341 C C 2.517 177.137 174.990 -0.616 0.000 1.288 341 C CA 0.774 59.497 59.018 -0.492 0.000 1.764 341 C CB -0.693 26.696 27.740 -0.585 0.000 1.974 341 C HN 0.564 nan 8.230 nan 0.000 0.498 342 E N 0.846 120.510 120.200 -0.893 0.000 2.028 342 E HA -0.194 4.159 4.350 0.005 0.000 0.191 342 E C 2.053 178.236 176.600 -0.694 0.000 0.988 342 E CA 1.137 56.759 56.400 -1.297 0.000 0.799 342 E CB -0.139 28.924 29.700 -1.062 0.000 0.755 342 E HN 0.620 nan 8.360 nan 0.000 0.447 343 E N 0.298 120.236 120.200 -0.438 0.000 2.097 343 E HA -0.229 4.123 4.350 0.005 0.000 0.196 343 E C 1.907 178.359 176.600 -0.246 0.000 1.000 343 E CA 1.554 57.785 56.400 -0.282 0.000 0.804 343 E CB -0.063 29.517 29.700 -0.200 0.000 0.740 343 E HN 0.397 nan 8.360 nan 0.000 0.454 344 E N -0.666 119.383 120.200 -0.252 0.000 2.427 344 E HA 0.022 4.375 4.350 0.005 0.000 0.196 344 E C 0.998 177.506 176.600 -0.153 0.000 1.028 344 E CA 0.339 56.637 56.400 -0.169 0.000 0.864 344 E CB 0.262 29.882 29.700 -0.134 0.000 0.813 344 E HN 0.363 nan 8.360 nan 0.000 0.514 345 G N 2.167 110.835 108.800 -0.221 0.000 2.176 345 G HA2 -0.273 3.690 3.960 0.005 0.000 0.252 345 G HA3 -0.273 3.690 3.960 0.005 0.000 0.252 345 G C 0.029 174.905 174.900 -0.041 0.000 1.024 345 G CA -0.047 44.971 45.100 -0.137 0.000 0.755 345 G HN -0.017 nan 8.290 nan 0.000 0.507 346 K N 0.556 120.930 120.400 -0.043 0.000 2.414 346 K HA 0.137 4.460 4.320 0.005 0.000 0.272 346 K C 1.005 177.646 176.600 0.069 0.000 0.993 346 K CA 0.266 56.567 56.287 0.025 0.000 0.964 346 K CB 0.459 32.959 32.500 -0.001 0.000 0.925 346 K HN 0.711 nan 8.250 nan 0.000 0.487 347 N N 0.386 119.102 118.700 0.026 0.000 2.447 347 N HA 0.058 4.801 4.740 0.005 0.000 0.271 347 N C 0.865 176.247 175.510 -0.215 0.000 1.226 347 N CA -0.564 52.444 53.050 -0.070 0.000 0.980 347 N CB 0.243 38.737 38.487 0.012 0.000 1.206 347 N HN 0.413 nan 8.380 nan 0.000 0.558 348 I N -0.678 119.602 120.570 -0.483 0.000 2.423 348 I HA -0.102 4.071 4.170 0.005 0.000 0.254 348 I C 1.081 176.928 176.117 -0.449 0.000 1.151 348 I CA 1.193 62.142 61.300 -0.584 0.000 1.421 348 I CB -0.498 37.005 38.000 -0.828 0.000 1.079 348 I HN 0.531 nan 8.210 nan 0.000 0.431 349 F N 0.728 120.676 119.950 -0.002 0.000 2.146 349 F HA -0.121 4.409 4.527 0.005 0.000 0.298 349 F C 2.447 178.297 175.800 0.083 0.000 1.096 349 F CA 1.444 59.471 58.000 0.045 0.000 1.275 349 F CB -1.140 37.891 39.000 0.052 0.000 1.008 349 F HN 0.119 nan 8.300 nan 0.000 0.480 350 E N 0.331 120.654 120.200 0.205 0.000 2.112 350 E HA -0.095 4.258 4.350 0.005 0.000 0.190 350 E C 2.306 179.071 176.600 0.276 0.000 0.979 350 E CA 0.555 57.086 56.400 0.219 0.000 0.814 350 E CB -0.343 29.461 29.700 0.174 0.000 0.762 350 E HN 0.321 nan 8.360 nan 0.000 0.460 351 L N 0.810 122.138 121.223 0.175 0.000 2.013 351 L HA -0.275 4.068 4.340 0.005 0.000 0.212 351 L C 2.578 179.640 176.870 0.320 0.000 1.073 351 L CA 1.558 56.551 54.840 0.256 0.000 0.753 351 L CB -0.225 41.844 42.059 0.015 0.000 0.890 351 L HN 0.097 nan 8.230 nan 0.000 0.432 352 R N -0.563 120.039 120.500 0.169 0.000 2.066 352 R HA -0.186 4.157 4.340 0.005 0.000 0.232 352 R C 2.307 178.787 176.300 0.299 0.000 1.131 352 R CA 1.262 57.482 56.100 0.200 0.000 0.955 352 R CB -0.241 30.138 30.300 0.133 0.000 0.851 352 R HN 0.071 nan 8.270 nan 0.000 0.432 353 K N 0.531 121.089 120.400 0.263 0.000 2.097 353 K HA -0.071 4.252 4.320 0.005 0.000 0.206 353 K C 1.902 178.603 176.600 0.169 0.000 1.049 353 K CA 1.714 58.131 56.287 0.218 0.000 0.933 353 K CB -0.691 31.928 32.500 0.197 0.000 0.717 353 K HN 0.213 nan 8.250 nan 0.000 0.442 354 G N 0.847 109.778 108.800 0.219 0.000 2.418 354 G HA2 -0.222 3.741 3.960 0.005 0.000 0.217 354 G HA3 -0.222 3.741 3.960 0.005 0.000 0.217 354 G C 1.411 176.142 174.900 -0.282 0.000 1.158 354 G CA 0.941 46.047 45.100 0.010 0.000 0.771 354 G HN 0.347 nan 8.290 nan 0.000 0.545 355 L N 0.395 121.600 121.223 -0.031 0.000 1.994 355 L HA -0.042 4.301 4.340 0.005 0.000 0.208 355 L C 2.839 179.783 176.870 0.122 0.000 1.071 355 L CA 2.108 56.969 54.840 0.034 0.000 0.745 355 L CB -0.858 41.391 42.059 0.317 0.000 0.892 355 L HN 0.307 nan 8.230 nan 0.000 0.431 356 Q N -0.484 119.457 119.800 0.234 0.000 2.077 356 Q HA -0.243 4.100 4.340 0.005 0.000 0.206 356 Q C 1.905 177.924 176.000 0.030 0.000 0.989 356 Q CA 1.965 57.879 55.803 0.185 0.000 0.853 356 Q CB -0.330 28.503 28.738 0.158 0.000 0.907 356 Q HN 0.598 nan 8.270 nan 0.000 0.418 357 D N 0.243 120.631 120.400 -0.020 0.000 2.144 357 D HA -0.136 4.507 4.640 0.005 0.000 0.199 357 D C 1.741 177.951 176.300 -0.149 0.000 0.984 357 D CA 1.292 55.253 54.000 -0.064 0.000 0.834 357 D CB -0.229 40.544 40.800 -0.046 0.000 0.955 357 D HN 0.273 nan 8.370 nan 0.000 0.465 358 A N 0.128 122.762 122.820 -0.310 0.000 1.902 358 A HA -0.141 4.181 4.320 0.005 0.000 0.217 358 A C 1.894 179.229 177.584 -0.416 0.000 1.181 358 A CA 0.982 52.712 52.037 -0.511 0.000 0.623 358 A CB -0.905 17.314 19.000 -1.301 0.000 0.818 358 A HN 0.204 nan 8.150 nan 0.000 0.443 359 F N -1.179 118.588 119.950 -0.306 0.000 2.797 359 F HA 0.163 4.692 4.527 0.005 0.000 0.302 359 F C 2.293 177.982 175.800 -0.186 0.000 1.130 359 F CA 0.485 58.359 58.000 -0.210 0.000 1.387 359 F CB 0.145 39.000 39.000 -0.242 0.000 1.107 359 F HN 0.064 nan 8.300 nan 0.000 0.577 360 R N -0.526 119.947 120.500 -0.045 0.000 2.254 360 R HA -0.027 4.316 4.340 0.005 0.000 0.195 360 R C 2.357 178.629 176.300 -0.047 0.000 0.957 360 R CA 0.851 56.922 56.100 -0.049 0.000 1.024 360 R CB -0.063 30.209 30.300 -0.047 0.000 0.952 360 R HN 0.202 nan 8.270 nan 0.000 0.484 361 S N 0.570 116.228 115.700 -0.070 0.000 2.469 361 S HA -0.170 4.303 4.470 0.005 0.000 0.238 361 S C 0.711 175.294 174.600 -0.027 0.000 0.998 361 S CA 1.114 59.283 58.200 -0.050 0.000 0.957 361 S CB -0.066 63.094 63.200 -0.067 0.000 0.764 361 S HN 0.362 nan 8.310 nan 0.000 0.514 362 D N 0.521 120.905 120.400 -0.026 0.000 2.792 362 D HA -0.173 4.470 4.640 0.005 0.000 0.231 362 D C -0.479 175.831 176.300 0.017 0.000 1.160 362 D CA 1.086 55.089 54.000 0.004 0.000 0.697 362 D CB -1.505 39.303 40.800 0.013 0.000 1.070 362 D HN 0.549 nan 8.370 nan 0.000 0.426 363 S N -0.738 114.966 115.700 0.008 0.000 2.707 363 S HA 0.470 4.943 4.470 0.005 0.000 0.303 363 S C 1.164 175.796 174.600 0.054 0.000 1.132 363 S CA -0.916 57.301 58.200 0.029 0.000 1.046 363 S CB 0.936 64.148 63.200 0.020 0.000 1.004 363 S HN 0.189 nan 8.310 nan 0.000 0.483 364 L N 4.547 125.820 121.223 0.083 0.000 2.131 364 L HA -0.079 4.264 4.340 0.005 0.000 0.210 364 L C 2.199 179.162 176.870 0.154 0.000 1.092 364 L CA 1.172 56.099 54.840 0.145 0.000 0.759 364 L CB -0.369 41.752 42.059 0.104 0.000 0.903 364 L HN 0.690 nan 8.230 nan 0.000 0.435 365 L N -0.480 120.792 121.223 0.081 0.000 2.046 365 L HA -0.223 4.119 4.340 0.005 0.000 0.208 365 L C 2.530 179.465 176.870 0.108 0.000 1.077 365 L CA 1.371 56.249 54.840 0.063 0.000 0.747 365 L CB -0.280 41.797 42.059 0.031 0.000 0.896 365 L HN 0.289 nan 8.230 nan 0.000 0.432 366 E N -0.353 119.897 120.200 0.083 0.000 2.072 366 E HA -0.256 4.097 4.350 0.005 0.000 0.191 366 E C 2.089 178.753 176.600 0.106 0.000 0.985 366 E CA 0.873 57.317 56.400 0.074 0.000 0.801 366 E CB -0.054 29.657 29.700 0.018 0.000 0.750 366 E HN 0.227 nan 8.360 nan 0.000 0.452 367 L N 0.165 121.450 121.223 0.103 0.000 2.042 367 L HA -0.227 4.116 4.340 0.005 0.000 0.210 367 L C 2.172 179.242 176.870 0.333 0.000 1.076 367 L CA 1.675 56.607 54.840 0.152 0.000 0.749 367 L CB -0.473 41.696 42.059 0.182 0.000 0.893 367 L HN 0.188 nan 8.230 nan 0.000 0.432 368 Y N -1.220 119.184 120.300 0.174 0.000 2.145 368 Y HA -0.250 4.303 4.550 0.005 0.000 0.286 368 Y C 2.354 178.266 175.900 0.020 0.000 1.145 368 Y CA 2.036 60.123 58.100 -0.022 0.000 1.148 368 Y CB -0.248 37.982 38.460 -0.385 0.000 0.981 368 Y HN -0.009 nan 8.280 nan 0.000 0.507 369 V N 0.038 120.079 119.914 0.212 0.000 2.343 369 V HA -0.318 3.805 4.120 0.005 0.000 0.247 369 V C 2.126 178.291 176.094 0.118 0.000 1.051 369 V CA 2.156 64.543 62.300 0.144 0.000 1.036 369 V CB -0.979 30.933 31.823 0.149 0.000 0.654 369 V HN 0.537 nan 8.190 nan 0.000 0.451 370 F N 0.142 120.101 119.950 0.015 0.000 2.051 370 F HA -0.173 4.357 4.527 0.005 0.000 0.296 370 F C 2.108 177.922 175.800 0.023 0.000 1.122 370 F CA 1.847 59.855 58.000 0.013 0.000 1.201 370 F CB -0.107 38.842 39.000 -0.086 0.000 0.978 370 F HN -0.001 nan 8.300 nan 0.000 0.472 371 L N 0.054 121.300 121.223 0.039 0.000 2.056 371 L HA 0.106 4.449 4.340 0.005 0.000 0.207 371 L C 1.334 178.116 176.870 -0.146 0.000 1.078 371 L CA 0.629 55.440 54.840 -0.049 0.000 0.749 371 L CB -1.476 40.698 42.059 0.191 0.000 0.901 371 L HN 0.461 nan 8.230 nan 0.000 0.433 372 G N -0.847 107.803 108.800 -0.249 0.000 2.787 372 G HA2 -0.185 3.778 3.960 0.005 0.000 0.685 372 G HA3 -0.185 3.778 3.960 0.005 0.000 0.685 372 G C -2.143 172.544 174.900 -0.355 0.000 1.437 372 G CA -0.359 44.540 45.100 -0.334 0.000 0.872 372 G HN 0.010 nan 8.290 nan 0.000 0.566 373 P HA -0.115 nan 4.420 nan 0.000 0.215 373 P C 2.209 179.530 177.300 0.035 0.000 1.157 373 P CA 3.009 66.035 63.100 -0.123 0.000 0.868 373 P CB -0.220 31.470 31.700 -0.016 0.000 0.788 374 A N 0.113 122.940 122.820 0.012 0.000 1.865 374 A HA -0.226 4.097 4.320 0.005 0.000 0.217 374 A C 2.372 179.990 177.584 0.057 0.000 1.191 374 A CA 2.552 54.613 52.037 0.039 0.000 0.623 374 A CB -1.273 17.735 19.000 0.013 0.000 0.826 374 A HN 0.076 nan 8.150 nan 0.000 0.444 375 K N -1.243 119.182 120.400 0.042 0.000 2.148 375 K HA -0.004 4.319 4.320 0.005 0.000 0.204 375 K C 1.548 178.201 176.600 0.088 0.000 1.050 375 K CA 1.137 57.459 56.287 0.058 0.000 0.942 375 K CB -0.533 32.008 32.500 0.068 0.000 0.724 375 K HN 0.416 nan 8.250 nan 0.000 0.446 376 F N 1.339 121.272 119.950 -0.027 0.000 2.216 376 F HA -0.129 4.401 4.527 0.005 0.000 0.300 376 F C 2.024 177.921 175.800 0.162 0.000 1.085 376 F CA 1.553 59.603 58.000 0.083 0.000 1.326 376 F CB -0.023 38.995 39.000 0.030 0.000 1.027 376 F HN -0.016 nan 8.300 nan 0.000 0.497 377 K N 0.468 121.046 120.400 0.297 0.000 2.057 377 K HA -0.264 4.059 4.320 0.005 0.000 0.207 377 K C 2.214 178.872 176.600 0.096 0.000 1.049 377 K CA 1.903 58.323 56.287 0.222 0.000 0.931 377 K CB -0.395 32.212 32.500 0.178 0.000 0.714 377 K HN 0.474 nan 8.250 nan 0.000 0.440 378 E N 0.165 120.384 120.200 0.032 0.000 2.072 378 E HA -0.117 4.235 4.350 0.005 0.000 0.190 378 E C 1.909 178.448 176.600 -0.101 0.000 0.982 378 E CA 0.901 57.295 56.400 -0.010 0.000 0.803 378 E CB 0.167 29.864 29.700 -0.006 0.000 0.755 378 E HN 0.146 nan 8.360 nan 0.000 0.453 379 V N 0.496 120.252 119.914 -0.264 0.000 2.490 379 V HA -0.198 3.925 4.120 0.005 0.000 0.250 379 V C 1.345 177.057 176.094 -0.636 0.000 1.061 379 V CA 1.453 63.413 62.300 -0.566 0.000 1.064 379 V CB -0.425 30.877 31.823 -0.868 0.000 0.670 379 V HN 0.273 nan 8.190 nan 0.000 0.461 380 F N -0.494 119.352 119.950 -0.175 0.000 2.647 380 F HA 0.369 4.899 4.527 0.005 0.000 0.300 380 F C 1.156 176.958 175.800 0.003 0.000 1.106 380 F CA -0.783 57.159 58.000 -0.096 0.000 1.313 380 F CB -0.479 38.362 39.000 -0.265 0.000 1.007 380 F HN 0.013 nan 8.300 nan 0.000 0.536 381 K N 0.542 121.011 120.400 0.116 0.000 3.069 381 K HA -0.212 4.111 4.320 0.005 0.000 0.267 381 K C -0.134 176.545 176.600 0.132 0.000 1.082 381 K CA 0.196 56.551 56.287 0.113 0.000 0.782 381 K CB -1.940 30.625 32.500 0.107 0.000 1.230 381 K HN 0.340 nan 8.250 nan 0.000 0.488 382 L N 1.023 122.341 121.223 0.159 0.000 2.464 382 L HA 0.159 4.502 4.340 0.005 0.000 0.264 382 L C 1.127 178.075 176.870 0.130 0.000 1.199 382 L CA -0.181 54.758 54.840 0.165 0.000 0.818 382 L CB 0.337 42.533 42.059 0.228 0.000 1.102 382 L HN 0.055 nan 8.230 nan 0.000 0.473 383 K N 0.711 121.180 120.400 0.116 0.000 2.107 383 K HA 0.053 4.376 4.320 0.005 0.000 0.251 383 K C 0.647 177.311 176.600 0.107 0.000 1.012 383 K CA -0.530 55.815 56.287 0.096 0.000 0.920 383 K CB 0.908 33.454 32.500 0.078 0.000 1.033 383 K HN 0.419 nan 8.250 nan 0.000 0.478 384 E N 1.016 121.270 120.200 0.090 0.000 2.077 384 E HA -0.176 4.177 4.350 0.005 0.000 0.193 384 E C 1.658 178.320 176.600 0.104 0.000 0.989 384 E CA 2.359 58.813 56.400 0.091 0.000 0.800 384 E CB -0.303 29.439 29.700 0.070 0.000 0.746 384 E HN 0.756 nan 8.360 nan 0.000 0.452 385 T N -1.906 112.706 114.554 0.098 0.000 2.915 385 T HA -0.133 4.219 4.350 0.005 0.000 0.269 385 T C 1.796 176.585 174.700 0.148 0.000 1.071 385 T CA 1.271 63.438 62.100 0.111 0.000 1.132 385 T CB -0.238 68.682 68.868 0.087 0.000 0.878 385 T HN 0.222 nan 8.240 nan 0.000 0.479 386 Q N 0.060 119.946 119.800 0.143 0.000 2.062 386 Q HA 0.163 4.506 4.340 0.005 0.000 0.196 386 Q C 2.294 178.429 176.000 0.224 0.000 0.967 386 Q CA 1.046 56.953 55.803 0.173 0.000 0.832 386 Q CB -0.276 28.552 28.738 0.150 0.000 0.899 386 Q HN 0.464 nan 8.270 nan 0.000 0.442 387 I N 1.266 121.964 120.570 0.213 0.000 2.315 387 I HA -0.249 3.923 4.170 0.005 0.000 0.248 387 I C 2.131 178.355 176.117 0.177 0.000 1.117 387 I CA 1.364 62.802 61.300 0.231 0.000 1.404 387 I CB -0.106 38.038 38.000 0.240 0.000 1.071 387 I HN -0.034 nan 8.210 nan 0.000 0.419 388 K N 0.124 120.616 120.400 0.152 0.000 2.044 388 K HA -0.308 4.014 4.320 0.005 0.000 0.210 388 K C 2.241 178.913 176.600 0.121 0.000 1.049 388 K CA 2.229 58.583 56.287 0.112 0.000 0.927 388 K CB -1.090 31.473 32.500 0.104 0.000 0.713 388 K HN 0.467 nan 8.250 nan 0.000 0.443 389 Y N 0.458 120.803 120.300 0.074 0.000 2.242 389 Y HA -0.056 4.497 4.550 0.005 0.000 0.291 389 Y C 1.793 177.714 175.900 0.034 0.000 1.137 389 Y CA 1.742 59.908 58.100 0.110 0.000 1.181 389 Y CB -0.102 38.431 38.460 0.123 0.000 0.989 389 Y HN 0.062 nan 8.280 nan 0.000 0.527 390 I N 0.038 120.713 120.570 0.176 0.000 2.208 390 I HA -0.315 3.858 4.170 0.005 0.000 0.245 390 I C 2.093 177.991 176.117 -0.365 0.000 1.097 390 I CA 2.013 63.241 61.300 -0.119 0.000 1.363 390 I CB -0.376 37.602 38.000 -0.038 0.000 1.051 390 I HN 0.212 nan 8.210 nan 0.000 0.413 391 D N 0.642 120.948 120.400 -0.157 0.000 2.149 391 D HA -0.188 4.455 4.640 0.005 0.000 0.201 391 D C 1.736 177.877 176.300 -0.266 0.000 0.972 391 D CA 1.140 55.062 54.000 -0.130 0.000 0.835 391 D CB 0.012 40.825 40.800 0.022 0.000 0.966 391 D HN 0.174 nan 8.370 nan 0.000 0.476 392 D N -0.935 119.283 120.400 -0.303 0.000 2.178 392 D HA -0.123 4.520 4.640 0.005 0.000 0.201 392 D C 1.188 177.059 176.300 -0.715 0.000 0.980 392 D CA 1.011 54.737 54.000 -0.457 0.000 0.842 392 D CB -0.074 40.433 40.800 -0.488 0.000 0.948 392 D HN 0.508 nan 8.370 nan 0.000 0.472 393 H N -0.925 117.769 119.070 -0.627 0.000 2.672 393 H HA 0.149 4.708 4.556 0.005 0.000 0.277 393 H C 1.625 176.314 175.328 -1.065 0.000 1.074 393 H CA -0.291 55.301 56.048 -0.760 0.000 1.173 393 H CB 0.800 30.065 29.762 -0.828 0.000 1.558 393 H HN 0.061 nan 8.280 nan 0.000 0.539 394 I N 1.831 121.886 120.570 -0.857 0.000 2.361 394 I HA -0.222 3.951 4.170 0.005 0.000 0.251 394 I C 2.351 178.176 176.117 -0.487 0.000 1.133 394 I CA 1.201 61.973 61.300 -0.880 0.000 1.413 394 I CB -0.129 37.458 38.000 -0.688 0.000 1.073 394 I HN 0.112 nan 8.210 nan 0.000 0.424 395 S N -0.606 114.895 115.700 -0.332 0.000 2.474 395 S HA -0.126 4.347 4.470 0.005 0.000 0.235 395 S C 1.603 176.139 174.600 -0.105 0.000 0.997 395 S CA 1.108 59.202 58.200 -0.176 0.000 0.949 395 S CB -0.635 62.477 63.200 -0.146 0.000 0.766 395 S HN 0.636 nan 8.310 nan 0.000 0.517 396 E N -0.147 119.990 120.200 -0.105 0.000 2.474 396 E HA 0.264 4.617 4.350 0.005 0.000 0.194 396 E C -0.623 176.114 176.600 0.229 0.000 1.041 396 E CA -0.212 56.219 56.400 0.052 0.000 0.874 396 E CB 0.146 29.907 29.700 0.102 0.000 0.914 396 E HN 0.415 nan 8.360 nan 0.000 0.498 397 F N 2.331 122.226 119.950 -0.093 0.000 2.385 397 F HA 0.220 4.750 4.527 0.005 0.000 0.336 397 F C 0.837 176.591 175.800 -0.077 0.000 1.100 397 F CA -2.092 55.848 58.000 -0.100 0.000 1.116 397 F CB 0.454 39.347 39.000 -0.178 0.000 1.166 397 F HN -0.030 nan 8.300 nan 0.000 0.511 398 N N 0.245 118.996 118.700 0.085 0.000 2.538 398 N HA 0.195 4.938 4.740 0.005 0.000 0.292 398 N C 0.700 176.209 175.510 -0.002 0.000 1.262 398 N CA -0.501 52.568 53.050 0.031 0.000 0.976 398 N CB 0.376 38.870 38.487 0.011 0.000 1.161 398 N HN 0.480 nan 8.380 nan 0.000 0.598 399 E N -1.308 118.893 120.200 0.003 0.000 2.077 399 E HA -0.267 4.086 4.350 0.005 0.000 0.193 399 E C 1.535 178.111 176.600 -0.040 0.000 0.989 399 E CA 1.421 57.818 56.400 -0.005 0.000 0.800 399 E CB -0.355 29.356 29.700 0.018 0.000 0.746 399 E HN 0.667 nan 8.360 nan 0.000 0.452 400 H N -0.290 118.688 119.070 -0.153 0.000 2.357 400 H HA -0.108 4.451 4.556 0.005 0.000 0.301 400 H C 1.170 176.320 175.328 -0.296 0.000 1.082 400 H CA 1.628 57.533 56.048 -0.239 0.000 1.342 400 H CB 0.213 29.819 29.762 -0.260 0.000 1.389 400 H HN 0.224 nan 8.280 nan 0.000 0.511 401 D N 0.774 120.994 120.400 -0.300 0.000 2.133 401 D HA -0.161 4.482 4.640 0.005 0.000 0.195 401 D C 2.321 178.262 176.300 -0.598 0.000 0.997 401 D CA 0.623 54.305 54.000 -0.529 0.000 0.840 401 D CB -0.375 40.011 40.800 -0.690 0.000 0.947 401 D HN 0.289 nan 8.370 nan 0.000 0.452 402 L N 0.483 121.439 121.223 -0.446 0.000 2.056 402 L HA -0.066 4.277 4.340 0.005 0.000 0.207 402 L C 2.050 178.797 176.870 -0.205 0.000 1.078 402 L CA 1.147 55.848 54.840 -0.231 0.000 0.749 402 L CB -0.721 41.294 42.059 -0.075 0.000 0.901 402 L HN 0.005 nan 8.230 nan 0.000 0.433 403 L N -0.862 120.202 121.223 -0.264 0.000 2.079 403 L HA -0.185 4.158 4.340 0.005 0.000 0.210 403 L C 2.234 178.908 176.870 -0.327 0.000 1.081 403 L CA 1.791 56.457 54.840 -0.290 0.000 0.752 403 L CB -0.614 41.284 42.059 -0.267 0.000 0.896 403 L HN 0.295 nan 8.230 nan 0.000 0.433 404 L N -1.695 119.271 121.223 -0.427 0.000 2.156 404 L HA -0.165 4.177 4.340 0.005 0.000 0.208 404 L C 2.532 179.216 176.870 -0.311 0.000 1.095 404 L CA 0.744 55.338 54.840 -0.411 0.000 0.770 404 L CB -0.725 41.028 42.059 -0.510 0.000 0.914 404 L HN 0.409 nan 8.230 nan 0.000 0.439 405 H N -0.185 118.717 119.070 -0.279 0.000 2.428 405 H HA -0.065 4.494 4.556 0.005 0.000 0.296 405 H C 2.379 177.621 175.328 -0.144 0.000 1.062 405 H CA 1.125 57.074 56.048 -0.165 0.000 1.350 405 H CB 0.235 29.959 29.762 -0.064 0.000 1.403 405 H HN 0.323 nan 8.280 nan 0.000 0.533 406 L N 0.292 121.433 121.223 -0.137 0.000 2.046 406 L HA -0.178 4.165 4.340 0.005 0.000 0.208 406 L C 2.465 179.265 176.870 -0.116 0.000 1.077 406 L CA 0.992 55.652 54.840 -0.300 0.000 0.747 406 L CB -0.307 41.183 42.059 -0.949 0.000 0.896 406 L HN 0.191 nan 8.230 nan 0.000 0.432 407 I N -1.028 119.508 120.570 -0.057 0.000 2.163 407 I HA -0.288 3.885 4.170 0.005 0.000 0.240 407 I C 2.849 178.982 176.117 0.028 0.000 1.081 407 I CA 1.335 62.680 61.300 0.075 0.000 1.353 407 I CB -0.316 37.722 38.000 0.064 0.000 1.054 407 I HN 0.197 nan 8.210 nan 0.000 0.407 408 S N 0.585 116.257 115.700 -0.048 0.000 2.387 408 S HA -0.257 4.215 4.470 0.005 0.000 0.230 408 S C 1.601 176.188 174.600 -0.021 0.000 1.035 408 S CA 2.198 60.360 58.200 -0.063 0.000 1.014 408 S CB -0.314 62.792 63.200 -0.156 0.000 0.836 408 S HN 0.381 nan 8.310 nan 0.000 0.466 409 D N 0.023 120.424 120.400 0.002 0.000 2.305 409 D HA 0.205 4.847 4.640 0.005 0.000 0.206 409 D C 1.643 177.984 176.300 0.070 0.000 0.974 409 D CA 0.427 54.449 54.000 0.037 0.000 0.871 409 D CB 0.004 40.842 40.800 0.063 0.000 0.947 409 D HN 0.502 nan 8.370 nan 0.000 0.516 410 N N -1.016 117.741 118.700 0.095 0.000 3.153 410 N HA 0.129 4.872 4.740 0.005 0.000 0.177 410 N C -2.118 173.456 175.510 0.107 0.000 1.389 410 N CA -0.374 52.751 53.050 0.124 0.000 1.117 410 N CB -0.166 38.437 38.487 0.194 0.000 1.201 410 N HN -0.178 nan 8.380 nan 0.000 0.503 411 P HA -0.030 nan 4.420 nan 0.000 0.258 411 P C 0.315 177.645 177.300 0.049 0.000 1.172 411 P CA 0.982 64.134 63.100 0.085 0.000 0.762 411 P CB 0.544 32.292 31.700 0.079 0.000 0.764 412 S N 3.224 118.945 115.700 0.035 0.000 3.711 412 S HA -0.398 4.074 4.470 0.005 0.000 0.625 412 S C 1.609 176.226 174.600 0.028 0.000 2.458 412 S CA 1.593 59.815 58.200 0.036 0.000 4.059 412 S CB -1.432 61.799 63.200 0.051 0.000 0.257 412 S HN 0.716 nan 8.310 nan 0.000 0.974 413 E N -0.025 120.203 120.200 0.047 0.000 2.790 413 E HA -0.325 4.028 4.350 0.005 0.000 0.259 413 E C 0.831 177.404 176.600 -0.046 0.000 1.064 413 E CA 2.549 58.972 56.400 0.039 0.000 1.581 413 E CB -0.684 29.095 29.700 0.131 0.000 1.438 413 E HN 0.724 nan 8.360 nan 0.000 0.414 420 D N -0.749 119.597 120.400 -0.090 0.000 2.502 420 D HA 0.425 5.068 4.640 0.005 0.000 0.249 420 D C 0.933 177.236 176.300 0.005 0.000 1.092 420 D CA -0.476 53.436 54.000 -0.147 0.000 0.839 420 D CB 1.060 41.811 40.800 -0.082 0.000 1.264 420 D HN -0.135 nan 8.370 nan 0.000 0.511 421 F N 2.406 122.395 119.950 0.064 0.000 2.134 421 F HA 0.083 4.613 4.527 0.005 0.000 0.299 421 F C 2.505 178.354 175.800 0.083 0.000 1.097 421 F CA 1.267 59.324 58.000 0.095 0.000 1.264 421 F CB -1.190 37.911 39.000 0.168 0.000 1.001 421 F HN 0.567 nan 8.300 nan 0.000 0.479 422 G N -0.367 108.574 108.800 0.234 0.000 2.440 422 G HA2 -0.247 3.716 3.960 0.005 0.000 0.218 422 G HA3 -0.247 3.716 3.960 0.005 0.000 0.218 422 G C 1.949 176.915 174.900 0.111 0.000 1.154 422 G CA 0.664 45.853 45.100 0.148 0.000 0.767 422 G HN 0.243 nan 8.290 nan 0.000 0.552 423 R N 0.167 120.717 120.500 0.082 0.000 2.090 423 R HA 0.112 4.455 4.340 0.005 0.000 0.228 423 R C 3.034 179.367 176.300 0.056 0.000 1.110 423 R CA 0.932 57.063 56.100 0.053 0.000 0.973 423 R CB -0.245 30.068 30.300 0.023 0.000 0.869 423 R HN 0.354 nan 8.270 nan 0.000 0.440 424 A N 1.435 124.311 122.820 0.093 0.000 1.902 424 A HA -0.221 4.102 4.320 0.005 0.000 0.217 424 A C 2.013 179.692 177.584 0.159 0.000 1.181 424 A CA 1.486 53.578 52.037 0.092 0.000 0.623 424 A CB -0.390 18.725 19.000 0.192 0.000 0.818 424 A HN 0.231 nan 8.150 nan 0.000 0.443 425 K N -0.170 120.350 120.400 0.201 0.000 2.001 425 K HA -0.154 4.168 4.320 0.005 0.000 0.214 425 K C 1.860 178.561 176.600 0.169 0.000 1.050 425 K CA 1.984 58.392 56.287 0.201 0.000 0.934 425 K CB -0.444 32.147 32.500 0.152 0.000 0.718 425 K HN 0.203 nan 8.250 nan 0.000 0.443 426 V N 1.821 121.803 119.914 0.113 0.000 2.282 426 V HA -0.337 3.786 4.120 0.005 0.000 0.249 426 V C 2.480 178.619 176.094 0.075 0.000 1.057 426 V CA 2.288 64.640 62.300 0.087 0.000 1.032 426 V CB -0.417 31.440 31.823 0.057 0.000 0.645 426 V HN 0.446 nan 8.190 nan 0.000 0.447 427 M N -1.867 117.742 119.600 0.015 0.000 2.159 427 M HA -0.195 4.287 4.480 0.005 0.000 0.263 427 M C 2.251 178.537 176.300 -0.024 0.000 1.063 427 M CA 2.084 57.344 55.300 -0.067 0.000 1.110 427 M CB -0.535 31.951 32.600 -0.190 0.000 1.374 427 M HN 0.359 nan 8.290 nan 0.000 0.411 428 Y N -0.105 120.274 120.300 0.132 0.000 2.206 428 Y HA -0.032 4.521 4.550 0.005 0.000 0.292 428 Y C 2.533 178.618 175.900 0.307 0.000 1.123 428 Y CA 0.991 59.218 58.100 0.213 0.000 1.142 428 Y CB -0.443 38.028 38.460 0.018 0.000 1.006 428 Y HN 0.098 nan 8.280 nan 0.000 0.518 429 M N 0.046 119.855 119.600 0.348 0.000 2.144 429 M HA -0.250 4.233 4.480 0.005 0.000 0.260 429 M C 1.280 177.723 176.300 0.239 0.000 1.067 429 M CA 1.650 57.109 55.300 0.265 0.000 1.095 429 M CB -0.957 31.744 32.600 0.168 0.000 1.365 429 M HN 0.266 nan 8.290 nan 0.000 0.406 430 D N 0.090 120.604 120.400 0.189 0.000 2.149 430 D HA -0.021 4.621 4.640 0.005 0.000 0.201 430 D C 2.119 178.517 176.300 0.164 0.000 0.972 430 D CA 0.833 54.922 54.000 0.148 0.000 0.835 430 D CB -0.182 40.672 40.800 0.089 0.000 0.966 430 D HN 0.367 nan 8.370 nan 0.000 0.476 431 I N 1.267 121.950 120.570 0.187 0.000 2.151 431 I HA -0.307 3.866 4.170 0.005 0.000 0.243 431 I C 2.431 178.659 176.117 0.185 0.000 1.080 431 I CA 1.159 62.562 61.300 0.172 0.000 1.339 431 I CB -0.208 37.920 38.000 0.214 0.000 1.039 431 I HN -0.053 nan 8.210 nan 0.000 0.409 432 A N 0.792 123.733 122.820 0.202 0.000 1.877 432 A HA -0.229 4.094 4.320 0.005 0.000 0.216 432 A C 2.278 180.213 177.584 0.584 0.000 1.186 432 A CA 1.643 53.834 52.037 0.257 0.000 0.620 432 A CB -0.494 18.639 19.000 0.222 0.000 0.822 432 A HN 0.315 nan 8.150 nan 0.000 0.443 433 K N -0.106 120.592 120.400 0.496 0.000 2.160 433 K HA -0.202 4.121 4.320 0.005 0.000 0.206 433 K C 1.797 178.533 176.600 0.227 0.000 1.047 433 K CA 1.598 58.129 56.287 0.407 0.000 0.930 433 K CB -0.233 32.413 32.500 0.244 0.000 0.720 433 K HN 0.633 nan 8.250 nan 0.000 0.450 434 E N -0.044 120.262 120.200 0.176 0.000 2.187 434 E HA -0.214 4.138 4.350 0.005 0.000 0.199 434 E C 1.528 178.072 176.600 -0.092 0.000 1.004 434 E CA 1.100 57.514 56.400 0.024 0.000 0.813 434 E CB -0.102 29.575 29.700 -0.039 0.000 0.736 434 E HN 0.526 nan 8.360 nan 0.000 0.468 435 H N -1.724 117.339 119.070 -0.011 0.000 2.539 435 H HA -0.011 4.547 4.556 0.005 0.000 0.269 435 H C 1.368 176.538 175.328 -0.263 0.000 0.980 435 H CA 0.152 56.078 56.048 -0.204 0.000 1.152 435 H CB 0.188 29.788 29.762 -0.269 0.000 1.407 435 H HN 0.291 nan 8.280 nan 0.000 0.564 436 Y N 1.528 121.706 120.300 -0.204 0.000 2.165 436 Y HA -0.294 4.259 4.550 0.005 0.000 0.286 436 Y C 2.835 178.653 175.900 -0.136 0.000 1.155 436 Y CA 1.556 59.427 58.100 -0.381 0.000 1.164 436 Y CB 0.058 38.193 38.460 -0.540 0.000 0.978 436 Y HN 0.031 nan 8.280 nan 0.000 0.513 437 S N -0.263 115.347 115.700 -0.149 0.000 2.368 437 S HA -0.193 4.279 4.470 0.005 0.000 0.224 437 S C 2.204 176.706 174.600 -0.163 0.000 1.029 437 S CA 1.089 59.196 58.200 -0.156 0.000 0.988 437 S CB -0.762 62.398 63.200 -0.066 0.000 0.838 437 S HN 0.629 nan 8.310 nan 0.000 0.462 438 A N 0.217 122.911 122.820 -0.210 0.000 1.978 438 A HA -0.005 4.317 4.320 0.005 0.000 0.220 438 A C 1.778 179.267 177.584 -0.158 0.000 1.170 438 A CA 1.409 53.314 52.037 -0.220 0.000 0.636 438 A CB -0.789 18.019 19.000 -0.319 0.000 0.810 438 A HN 0.583 nan 8.150 nan 0.000 0.448 439 F N -2.473 117.417 119.950 -0.100 0.000 2.234 439 F HA 0.026 4.556 4.527 0.005 0.000 0.296 439 F C 2.117 177.846 175.800 -0.118 0.000 1.089 439 F CA 0.759 58.718 58.000 -0.068 0.000 1.343 439 F CB -0.915 38.080 39.000 -0.009 0.000 1.040 439 F HN 0.405 nan 8.300 nan 0.000 0.498 440 Y N 1.111 121.291 120.300 -0.200 0.000 2.231 440 Y HA -0.060 4.493 4.550 0.005 0.000 0.294 440 Y C 2.239 178.060 175.900 -0.132 0.000 1.120 440 Y CA 1.387 59.334 58.100 -0.255 0.000 1.141 440 Y CB -0.205 37.928 38.460 -0.545 0.000 1.022 440 Y HN -0.184 nan 8.280 nan 0.000 0.523 441 K N -0.208 120.196 120.400 0.007 0.000 2.103 441 K HA -0.142 4.181 4.320 0.005 0.000 0.207 441 K C -0.723 175.820 176.600 -0.095 0.000 1.048 441 K CA 1.728 58.013 56.287 -0.003 0.000 0.930 441 K CB -1.627 30.874 32.500 0.001 0.000 0.716 441 K HN 0.350 nan 8.250 nan 0.000 0.444 442 P HA -0.064 nan 4.420 nan 0.000 0.223 442 P C 1.108 178.312 177.300 -0.161 0.000 1.151 442 P CA 0.887 63.925 63.100 -0.104 0.000 0.787 442 P CB -0.053 31.604 31.700 -0.072 0.000 0.788 443 L N -2.113 118.959 121.223 -0.253 0.000 2.551 443 L HA -0.049 4.293 4.340 0.005 0.000 0.228 443 L C 1.723 178.396 176.870 -0.327 0.000 1.153 443 L CA 0.728 55.367 54.840 -0.334 0.000 0.851 443 L CB -0.480 41.305 42.059 -0.456 0.000 0.959 443 L HN -0.067 nan 8.230 nan 0.000 0.451 444 V N -1.285 118.484 119.914 -0.240 0.000 2.854 444 V HA -0.047 4.076 4.120 0.005 0.000 0.236 444 V C 2.174 178.232 176.094 -0.060 0.000 1.157 444 V CA 0.610 62.840 62.300 -0.115 0.000 1.187 444 V CB 0.336 32.136 31.823 -0.038 0.000 0.949 444 V HN 0.218 nan 8.190 nan 0.000 0.488 445 E N 0.485 120.651 120.200 -0.057 0.000 2.110 445 E HA -0.207 4.146 4.350 0.005 0.000 0.193 445 E C 1.827 178.406 176.600 -0.034 0.000 0.988 445 E CA 1.313 57.694 56.400 -0.032 0.000 0.804 445 E CB 0.162 29.839 29.700 -0.038 0.000 0.745 445 E HN 0.481 nan 8.360 nan 0.000 0.458 446 E N -0.380 119.784 120.200 -0.060 0.000 2.479 446 E HA -0.008 4.344 4.350 0.005 0.000 0.193 446 E C 1.324 177.884 176.600 -0.067 0.000 1.049 446 E CA 0.103 56.475 56.400 -0.047 0.000 0.870 446 E CB 0.609 30.276 29.700 -0.055 0.000 0.944 446 E HN 0.350 nan 8.360 nan 0.000 0.492 447 I N 0.001 120.512 120.570 -0.098 0.000 3.196 447 I HA -0.063 4.110 4.170 0.005 0.000 0.248 447 I C 1.964 178.087 176.117 0.010 0.000 1.105 447 I CA 0.976 62.181 61.300 -0.159 0.000 1.482 447 I CB -0.919 36.867 38.000 -0.356 0.000 1.400 447 I HN -0.047 nan 8.210 nan 0.000 0.464 448 S N -0.197 115.553 115.700 0.083 0.000 2.540 448 S HA 0.330 4.803 4.470 0.005 0.000 0.222 448 S C 1.099 175.760 174.600 0.102 0.000 1.008 448 S CA -0.030 58.265 58.200 0.159 0.000 0.939 448 S CB 0.123 63.468 63.200 0.243 0.000 0.865 448 S HN 0.305 nan 8.310 nan 0.000 0.499 449 G N 2.237 111.073 108.800 0.061 0.000 2.509 449 G HA2 0.466 4.428 3.960 0.005 0.000 0.269 449 G HA3 0.466 4.428 3.960 0.005 0.000 0.269 449 G C -1.816 173.115 174.900 0.051 0.000 1.416 449 G CA -1.342 43.793 45.100 0.058 0.000 1.052 449 G HN 0.105 nan 8.290 nan 0.000 0.542 450 P HA -0.051 nan 4.420 nan 0.000 0.218 450 P C 1.957 179.272 177.300 0.025 0.000 1.148 450 P CA 1.650 64.770 63.100 0.033 0.000 0.822 450 P CB -0.124 31.575 31.700 -0.002 0.000 0.784 451 G N 0.240 109.042 108.800 0.002 0.000 2.422 451 G HA2 -0.218 3.745 3.960 0.005 0.000 0.218 451 G HA3 -0.218 3.745 3.960 0.005 0.000 0.218 451 G C 1.665 176.623 174.900 0.096 0.000 1.146 451 G CA 0.941 46.054 45.100 0.022 0.000 0.769 451 G HN 0.343 nan 8.290 nan 0.000 0.547 452 A N 0.678 123.538 122.820 0.066 0.000 1.897 452 A HA 0.145 4.468 4.320 0.005 0.000 0.215 452 A C 2.326 179.930 177.584 0.034 0.000 1.181 452 A CA 1.057 53.153 52.037 0.097 0.000 0.620 452 A CB -0.210 18.834 19.000 0.073 0.000 0.821 452 A HN 0.249 nan 8.150 nan 0.000 0.443 453 I N -1.350 119.203 120.570 -0.029 0.000 2.142 453 I HA -0.216 3.957 4.170 0.005 0.000 0.240 453 I C 2.323 178.377 176.117 -0.106 0.000 1.078 453 I CA 1.419 62.623 61.300 -0.160 0.000 1.343 453 I CB -1.649 36.291 38.000 -0.100 0.000 1.046 453 I HN 0.539 nan 8.210 nan 0.000 0.405 454 Y N 2.885 123.126 120.300 -0.099 0.000 2.030 454 Y HA -0.377 4.176 4.550 0.004 0.000 0.272 454 Y C 2.511 178.383 175.900 -0.047 0.000 1.185 454 Y CA 2.345 60.428 58.100 -0.028 0.000 1.120 454 Y CB -0.565 37.897 38.460 0.003 0.000 0.955 454 Y HN 0.283 nan 8.280 nan 0.000 0.495 455 N N 0.239 118.920 118.700 -0.032 0.000 2.149 455 N HA -0.192 4.551 4.740 0.005 0.000 0.188 455 N C 1.971 177.129 175.510 -0.586 0.000 1.019 455 N CA 1.469 54.374 53.050 -0.242 0.000 0.857 455 N CB -0.832 37.639 38.487 -0.027 0.000 0.997 455 N HN 0.559 nan 8.380 nan 0.000 0.426 456 A N 0.915 123.288 122.820 -0.745 0.000 1.933 456 A HA -0.031 4.292 4.320 0.005 0.000 0.218 456 A C 2.181 179.453 177.584 -0.519 0.000 1.175 456 A CA 0.940 52.441 52.037 -0.893 0.000 0.628 456 A CB -0.514 18.127 19.000 -0.600 0.000 0.814 456 A HN 0.240 nan 8.150 nan 0.000 0.444 457 L N -2.219 118.749 121.223 -0.425 0.000 2.567 457 L HA 0.280 4.623 4.340 0.005 0.000 0.225 457 L C 1.695 178.356 176.870 -0.348 0.000 1.119 457 L CA 0.599 55.197 54.840 -0.403 0.000 0.871 457 L CB 0.242 41.999 42.059 -0.504 0.000 1.036 457 L HN 0.560 nan 8.230 nan 0.000 0.459 458 G N -1.682 106.871 108.800 -0.411 0.000 3.465 458 G HA2 0.158 4.121 3.960 0.005 0.000 0.219 458 G HA3 0.158 4.121 3.960 0.005 0.000 0.219 458 G C 0.615 175.144 174.900 -0.618 0.000 0.984 458 G CA -0.139 44.619 45.100 -0.571 0.000 0.864 458 G HN 0.519 nan 8.290 nan 0.000 0.485 459 G N -0.033 108.371 108.800 -0.661 0.000 2.796 459 G HA2 0.269 4.231 3.960 0.005 0.000 0.226 459 G HA3 0.269 4.231 3.960 0.005 0.000 0.226 459 G C 1.257 175.853 174.900 -0.507 0.000 1.381 459 G CA 1.178 45.902 45.100 -0.627 0.000 0.867 459 G HN 1.777 nan 8.290 nan 0.000 0.552 460 A N -0.768 121.981 122.820 -0.118 0.000 1.986 460 A HA 0.043 4.366 4.320 0.005 0.000 0.220 460 A C 2.629 180.249 177.584 0.060 0.000 1.171 460 A CA 3.597 55.727 52.037 0.155 0.000 0.640 460 A CB -0.664 18.444 19.000 0.181 0.000 0.811 460 A HN 2.137 nan 8.150 nan 0.000 0.451 461 S N -1.360 114.300 115.700 -0.068 0.000 2.502 461 S HA 0.030 4.502 4.470 0.005 0.000 0.215 461 S C 1.503 176.023 174.600 -0.134 0.000 1.009 461 S CA 0.402 58.567 58.200 -0.059 0.000 0.908 461 S CB -0.517 62.650 63.200 -0.054 0.000 0.801 461 S HN 0.697 nan 8.310 nan 0.000 0.505 462 N N 0.143 118.640 118.700 -0.338 0.000 2.381 462 N HA 0.008 4.751 4.740 0.005 0.000 0.182 462 N C -0.258 175.035 175.510 -0.362 0.000 1.025 462 N CA 0.964 53.709 53.050 -0.509 0.000 0.888 462 N CB 0.008 37.907 38.487 -0.980 0.000 0.965 462 N HN 0.342 nan 8.380 nan 0.000 0.438 463 F N -0.243 119.717 119.950 0.015 0.000 2.724 463 F HA 0.324 4.853 4.527 0.004 0.000 0.310 463 F C -0.182 175.691 175.800 0.121 0.000 1.107 463 F CA -0.174 57.877 58.000 0.086 0.000 1.218 463 F CB 0.594 39.645 39.000 0.085 0.000 1.042 463 F HN -0.295 nan 8.300 nan 0.000 0.540 464 T N 0.427 115.121 114.554 0.233 0.000 2.848 464 T HA 0.635 4.987 4.350 0.005 0.000 0.285 464 T C 0.006 174.788 174.700 0.136 0.000 0.995 464 T CA -0.520 61.688 62.100 0.180 0.000 0.970 464 T CB 2.320 71.275 68.868 0.146 0.000 0.976 464 T HN 0.109 nan 8.240 nan 0.000 0.441 465 T N -0.988 113.650 114.554 0.139 0.000 2.816 465 T HA 0.555 4.907 4.350 0.005 0.000 0.299 465 T C -0.322 174.450 174.700 0.120 0.000 1.230 465 T CA -0.876 61.294 62.100 0.116 0.000 1.007 465 T CB 1.089 70.029 68.868 0.119 0.000 1.289 465 T HN 0.336 nan 8.240 nan 0.000 0.508 466 T N 2.282 116.897 114.554 0.102 0.000 2.888 466 T HA 0.166 4.519 4.350 0.005 0.000 0.301 466 T C 0.032 174.810 174.700 0.130 0.000 1.001 466 T CA 0.248 62.413 62.100 0.107 0.000 1.147 466 T CB -0.358 68.555 68.868 0.074 0.000 0.931 466 T HN 0.778 nan 8.240 nan 0.000 0.541 467 H N 4.280 123.381 119.070 0.052 0.000 2.975 467 H HA 0.245 4.804 4.556 0.005 0.000 0.303 467 H C 0.144 175.497 175.328 0.042 0.000 1.023 467 H CA 0.008 56.088 56.048 0.053 0.000 1.473 467 H CB 0.235 30.026 29.762 0.047 0.000 1.498 467 H HN 0.468 nan 8.280 nan 0.000 0.549 468 R N 5.244 125.534 120.500 -0.351 0.000 2.532 468 R HA 0.353 4.696 4.340 0.005 0.000 0.297 468 R C -0.454 175.622 176.300 -0.373 0.000 0.984 468 R CA -1.069 54.839 56.100 -0.320 0.000 0.884 468 R CB 2.082 32.312 30.300 -0.115 0.000 1.182 468 R HN 0.713 nan 8.270 nan 0.000 0.442 469 R N 1.071 121.371 120.500 -0.333 0.000 2.486 469 R HA 0.638 4.981 4.340 0.005 0.000 0.286 469 R C -0.565 175.691 176.300 -0.072 0.000 0.999 469 R CA -0.689 55.307 56.100 -0.174 0.000 0.993 469 R CB 1.320 31.555 30.300 -0.109 0.000 1.084 469 R HN 0.639 nan 8.270 nan 0.000 0.487 470 S N -0.488 115.196 115.700 -0.027 0.000 3.914 470 S HA -0.158 4.314 4.470 0.005 0.000 0.674 470 S C -0.556 174.052 174.600 0.013 0.000 1.528 470 S CA 0.667 58.868 58.200 0.002 0.000 1.636 470 S CB -0.711 62.490 63.200 0.003 0.000 0.356 470 S HN 1.125 nan 8.310 nan 0.000 1.280 471 T N -0.474 114.099 114.554 0.033 0.000 2.863 471 T HA 0.731 5.084 4.350 0.005 0.000 0.285 471 T C 0.735 175.475 174.700 0.066 0.000 1.009 471 T CA 0.883 63.005 62.100 0.037 0.000 0.989 471 T CB 1.306 70.188 68.868 0.025 0.000 1.004 471 T HN 2.486 nan 8.240 nan 0.000 0.455 472 G N 3.390 112.226 108.800 0.061 0.000 2.552 472 G HA2 -0.123 3.840 3.960 0.005 0.000 0.265 472 G HA3 -0.123 3.840 3.960 0.005 0.000 0.265 472 G C -2.482 172.468 174.900 0.082 0.000 1.234 472 G CA -0.526 44.623 45.100 0.082 0.000 0.944 472 G HN 0.948 nan 8.290 nan 0.000 0.568 473 P HA 0.274 nan 4.420 nan 0.000 0.263 473 P C 0.445 177.781 177.300 0.060 0.000 1.195 473 P CA 0.091 63.231 63.100 0.066 0.000 0.762 473 P CB 0.394 32.134 31.700 0.067 0.000 0.799 474 M N 4.268 123.870 119.600 0.003 0.000 2.303 474 M HA 0.098 4.581 4.480 0.005 0.000 0.350 474 M C -0.738 175.539 176.300 -0.039 0.000 1.518 474 M CA 0.567 55.847 55.300 -0.033 0.000 1.070 474 M CB -0.232 32.309 32.600 -0.097 0.000 1.910 474 M HN 0.279 nan 8.290 nan 0.000 0.458 475 L N 7.620 128.835 121.223 -0.014 0.000 2.333 475 L HA 0.559 4.902 4.340 0.005 0.000 0.269 475 L C -1.973 174.784 176.870 -0.188 0.000 1.010 475 L CA -1.921 52.901 54.840 -0.032 0.000 0.818 475 L CB 2.158 44.327 42.059 0.182 0.000 1.306 475 L HN 0.520 nan 8.230 nan 0.000 0.430 476 P HA 0.075 nan 4.420 nan 0.000 0.231 476 P C 0.259 177.349 177.300 -0.351 0.000 1.811 476 P CA -0.089 62.757 63.100 -0.423 0.000 1.051 476 P CB -0.101 31.280 31.700 -0.532 0.000 1.951 477 T N -2.154 112.307 114.554 -0.155 0.000 3.040 477 T HA 0.156 4.509 4.350 0.005 0.000 0.266 477 T C 0.645 175.345 174.700 -0.000 0.000 1.005 477 T CA 0.023 62.099 62.100 -0.040 0.000 0.906 477 T CB -0.086 68.820 68.868 0.064 0.000 1.082 477 T HN 0.346 nan 8.240 nan 0.000 0.531 478 T N -1.734 112.812 114.554 -0.013 0.000 2.887 478 T HA 0.595 4.948 4.350 0.005 0.000 0.292 478 T C -2.553 172.167 174.700 0.034 0.000 1.087 478 T CA -1.768 60.345 62.100 0.022 0.000 1.009 478 T CB 1.945 70.831 68.868 0.030 0.000 1.203 478 T HN -0.352 nan 8.240 nan 0.000 0.518 479 P HA 0.023 nan 4.420 nan 0.000 0.215 479 P C -1.336 176.051 177.300 0.144 0.000 1.157 479 P CA 1.275 64.445 63.100 0.118 0.000 0.863 479 P CB -0.880 30.907 31.700 0.146 0.000 0.787 480 P HA -0.130 nan 4.420 nan 0.000 0.217 480 P C 1.315 178.600 177.300 -0.025 0.000 1.150 480 P CA 1.562 64.781 63.100 0.199 0.000 0.832 480 P CB -0.266 31.606 31.700 0.287 0.000 0.787 481 R N -0.110 120.339 120.500 -0.086 0.000 2.096 481 R HA -0.028 4.315 4.340 0.005 0.000 0.235 481 R C 2.358 178.513 176.300 -0.242 0.000 1.127 481 R CA 0.785 56.745 56.100 -0.234 0.000 0.968 481 R CB -1.805 28.388 30.300 -0.177 0.000 0.861 481 R HN 0.189 nan 8.270 nan 0.000 0.440 482 V N 1.334 121.192 119.914 -0.093 0.000 2.343 482 V HA -0.209 3.913 4.120 0.005 0.000 0.247 482 V C 2.289 178.403 176.094 0.033 0.000 1.051 482 V CA 1.385 63.697 62.300 0.021 0.000 1.036 482 V CB -0.398 31.481 31.823 0.094 0.000 0.654 482 V HN 0.093 nan 8.190 nan 0.000 0.451 483 L N -0.537 120.691 121.223 0.008 0.000 2.109 483 L HA -0.105 4.238 4.340 0.005 0.000 0.207 483 L C 2.450 179.263 176.870 -0.095 0.000 1.086 483 L CA 1.704 56.561 54.840 0.028 0.000 0.760 483 L CB -0.934 41.237 42.059 0.187 0.000 0.910 483 L HN 0.380 nan 8.230 nan 0.000 0.437 484 Q N -0.876 118.645 119.800 -0.466 0.000 2.084 484 Q HA -0.157 4.186 4.340 0.005 0.000 0.202 484 Q C 2.060 177.727 176.000 -0.554 0.000 0.978 484 Q CA 1.746 56.993 55.803 -0.927 0.000 0.844 484 Q CB 0.143 27.918 28.738 -1.605 0.000 0.898 484 Q HN 0.360 nan 8.270 nan 0.000 0.426 485 V N -0.351 119.237 119.914 -0.543 0.000 2.591 485 V HA -0.113 4.010 4.120 0.005 0.000 0.249 485 V C 1.111 176.830 176.094 -0.624 0.000 1.053 485 V CA 1.323 63.211 62.300 -0.686 0.000 1.068 485 V CB -0.226 30.977 31.823 -1.034 0.000 0.689 485 V HN 0.323 nan 8.190 nan 0.000 0.462 486 F N -2.295 117.574 119.950 -0.136 0.000 2.784 486 F HA 0.255 4.785 4.527 0.005 0.000 0.323 486 F C 1.500 177.247 175.800 -0.089 0.000 1.085 486 F CA -0.110 57.846 58.000 -0.074 0.000 1.196 486 F CB 0.060 39.029 39.000 -0.051 0.000 1.053 486 F HN 0.080 nan 8.300 nan 0.000 0.578 487 C N -0.955 118.344 119.300 -0.001 0.000 3.642 487 C HA 0.254 4.717 4.460 0.005 0.000 0.305 487 C C 0.247 175.162 174.990 -0.124 0.000 1.492 487 C CA -0.403 58.522 59.018 -0.155 0.000 1.809 487 C CB -0.383 27.086 27.740 -0.451 0.000 2.639 487 C HN 0.170 nan 8.230 nan 0.000 0.672 488 D N 1.225 121.614 120.400 -0.018 0.000 2.359 488 D HA 0.470 5.113 4.640 0.005 0.000 0.230 488 D C 0.779 177.104 176.300 0.042 0.000 1.118 488 D CA 0.024 54.076 54.000 0.087 0.000 0.844 488 D CB 1.497 42.449 40.800 0.254 0.000 1.059 488 D HN 0.253 nan 8.370 nan 0.000 0.493 489 A N 3.742 126.584 122.820 0.038 0.000 2.167 489 A HA -0.120 4.202 4.320 0.005 0.000 0.214 489 A C 1.681 179.412 177.584 0.246 0.000 1.151 489 A CA 1.023 53.104 52.037 0.072 0.000 0.735 489 A CB -0.503 18.503 19.000 0.011 0.000 0.802 489 A HN 0.768 nan 8.150 nan 0.000 0.467 490 H N 0.407 119.556 119.070 0.131 0.000 2.317 490 H HA -0.068 4.491 4.556 0.005 0.000 0.304 490 H C 1.650 177.038 175.328 0.099 0.000 1.067 490 H CA 1.856 57.986 56.048 0.136 0.000 1.352 490 H CB -0.423 29.400 29.762 0.102 0.000 1.398 490 H HN 0.416 nan 8.280 nan 0.000 0.510 491 D N -0.146 120.144 120.400 -0.183 0.000 2.144 491 D HA -0.124 4.519 4.640 0.005 0.000 0.199 491 D C 1.758 177.977 176.300 -0.136 0.000 0.984 491 D CA 1.385 55.235 54.000 -0.249 0.000 0.834 491 D CB 0.049 40.791 40.800 -0.097 0.000 0.955 491 D HN 0.402 nan 8.370 nan 0.000 0.465 492 K N -0.439 119.933 120.400 -0.048 0.000 2.243 492 K HA 0.174 4.496 4.320 0.005 0.000 0.201 492 K C 1.238 177.834 176.600 -0.006 0.000 1.051 492 K CA 0.497 56.772 56.287 -0.020 0.000 0.970 492 K CB 0.429 32.934 32.500 0.008 0.000 0.755 492 K HN 0.106 nan 8.250 nan 0.000 0.465 493 G N 1.525 110.340 108.800 0.025 0.000 2.522 493 G HA2 0.175 4.138 3.960 0.005 0.000 0.304 493 G HA3 0.175 4.138 3.960 0.005 0.000 0.304 493 G C -2.277 172.436 174.900 -0.312 0.000 1.210 493 G CA -1.039 44.002 45.100 -0.098 0.000 0.960 493 G HN -0.102 nan 8.290 nan 0.000 0.497 494 P HA 0.248 nan 4.420 nan 0.000 0.263 494 P C -0.673 176.139 177.300 -0.814 0.000 1.448 494 P CA -0.267 62.398 63.100 -0.724 0.000 0.983 494 P CB 0.053 31.252 31.700 -0.835 0.000 1.481 495 F N 0.165 120.028 119.950 -0.145 0.000 2.399 495 F HA 0.366 4.896 4.527 0.005 0.000 0.328 495 F C 0.825 176.661 175.800 0.059 0.000 1.084 495 F CA -1.351 56.609 58.000 -0.068 0.000 1.053 495 F CB 0.926 39.883 39.000 -0.072 0.000 1.209 495 F HN -0.360 nan 8.300 nan 0.000 0.502 496 V N 0.473 120.520 119.914 0.220 0.000 2.483 496 V HA 0.700 4.823 4.120 0.005 0.000 0.295 496 V C -0.325 175.829 176.094 0.101 0.000 1.035 496 V CA -0.671 61.752 62.300 0.206 0.000 0.896 496 V CB 1.321 33.220 31.823 0.127 0.000 0.986 496 V HN 0.757 nan 8.190 nan 0.000 0.447 497 S N 1.305 116.994 115.700 -0.017 0.000 2.571 497 S HA 0.493 4.965 4.470 0.005 0.000 0.284 497 S C -0.328 174.172 174.600 -0.167 0.000 1.128 497 S CA -0.502 57.594 58.200 -0.174 0.000 0.970 497 S CB 1.573 64.558 63.200 -0.357 0.000 1.039 497 S HN 1.014 nan 8.310 nan 0.000 0.485 498 D N 2.835 123.184 120.400 -0.085 0.000 2.462 498 D HA 0.125 4.768 4.640 0.005 0.000 0.221 498 D C 0.545 176.800 176.300 -0.074 0.000 1.173 498 D CA -0.189 53.776 54.000 -0.059 0.000 0.831 498 D CB -0.516 40.271 40.800 -0.021 0.000 1.001 498 D HN 0.522 nan 8.370 nan 0.000 0.499 499 N N 0.261 118.901 118.700 -0.099 0.000 2.270 499 N HA 0.074 4.817 4.740 0.005 0.000 0.181 499 N C 0.967 176.424 175.510 -0.089 0.000 1.016 499 N CA 0.891 53.895 53.050 -0.077 0.000 0.870 499 N CB 0.219 38.670 38.487 -0.060 0.000 0.979 499 N HN 0.463 nan 8.380 nan 0.000 0.431 500 I N -3.342 117.155 120.570 -0.122 0.000 3.264 500 I HA 0.708 4.881 4.170 0.005 0.000 0.309 500 I C -0.529 175.510 176.117 -0.130 0.000 1.099 500 I CA -1.674 59.548 61.300 -0.131 0.000 0.989 500 I CB 1.290 39.196 38.000 -0.157 0.000 1.250 500 I HN -0.259 nan 8.210 nan 0.000 0.478 501 A N 1.854 124.590 122.820 -0.141 0.000 2.425 501 A HA 0.391 4.713 4.320 0.005 0.000 0.242 501 A C 0.431 177.929 177.584 -0.143 0.000 1.077 501 A CA -0.312 51.651 52.037 -0.123 0.000 0.781 501 A CB 0.104 19.025 19.000 -0.130 0.000 1.020 501 A HN 0.770 nan 8.150 nan 0.000 0.494 502 R N -0.230 120.228 120.500 -0.070 0.000 2.738 502 R HA 0.089 4.432 4.340 0.005 0.000 0.275 502 R C -0.852 175.418 176.300 -0.051 0.000 1.121 502 R CA -0.082 56.009 56.100 -0.015 0.000 1.207 502 R CB 0.319 30.659 30.300 0.067 0.000 1.141 502 R HN 0.778 nan 8.270 nan 0.000 0.571 503 W N 1.170 122.482 121.300 0.020 0.000 2.210 503 W HA -0.011 4.651 4.660 0.004 0.000 0.330 503 W C 0.448 176.968 176.519 0.003 0.000 1.334 503 W CA 0.641 57.991 57.345 0.009 0.000 1.227 503 W CB 0.342 29.805 29.460 0.005 0.000 1.178 503 W HN 0.546 nan 8.180 nan 0.000 0.560 504 Q N 0.706 120.659 119.800 0.255 0.000 2.463 504 Q HA -0.190 4.153 4.340 0.005 0.000 0.299 504 Q C -0.449 175.577 176.000 0.043 0.000 1.353 504 Q CA 0.572 56.458 55.803 0.138 0.000 0.828 504 Q CB -2.180 26.670 28.738 0.186 0.000 1.157 504 Q HN 0.471 nan 8.270 nan 0.000 0.436 505 T N 1.336 115.891 114.554 0.002 0.000 2.771 505 T HA 0.248 4.601 4.350 0.005 0.000 0.291 505 T C 0.454 175.121 174.700 -0.056 0.000 0.954 505 T CA -0.760 61.326 62.100 -0.024 0.000 1.045 505 T CB 0.645 69.491 68.868 -0.037 0.000 0.917 505 T HN 0.161 nan 8.240 nan 0.000 0.484 506 N N 2.203 120.871 118.700 -0.053 0.000 2.454 506 N HA -0.024 4.719 4.740 0.005 0.000 0.260 506 N C 1.491 176.968 175.510 -0.055 0.000 1.218 506 N CA -0.108 52.903 53.050 -0.064 0.000 0.904 506 N CB 1.412 39.871 38.487 -0.047 0.000 1.065 506 N HN 0.344 nan 8.380 nan 0.000 0.462 507 V N 4.149 124.027 119.914 -0.060 0.000 2.546 507 V HA -0.286 3.837 4.120 0.005 0.000 0.254 507 V C 2.540 178.609 176.094 -0.042 0.000 1.076 507 V CA 1.956 64.225 62.300 -0.053 0.000 1.087 507 V CB -0.370 31.423 31.823 -0.050 0.000 0.674 507 V HN 0.725 nan 8.190 nan 0.000 0.470 508 R N 1.531 122.010 120.500 -0.036 0.000 2.062 508 R HA -0.101 4.242 4.340 0.005 0.000 0.231 508 R C 1.291 177.575 176.300 -0.026 0.000 1.136 508 R CA 1.597 57.681 56.100 -0.027 0.000 0.948 508 R CB -0.789 29.499 30.300 -0.020 0.000 0.845 508 R HN 0.732 nan 8.270 nan 0.000 0.430 509 E N 1.790 121.975 120.200 -0.025 0.000 2.122 509 E HA 0.065 4.417 4.350 0.005 0.000 0.288 509 E C 0.585 177.170 176.600 -0.025 0.000 1.260 509 E CA -0.238 56.150 56.400 -0.021 0.000 1.344 509 E CB 0.707 30.398 29.700 -0.014 0.000 1.337 509 E HN 0.200 nan 8.360 nan 0.000 0.484 510 L N 2.020 123.225 121.223 -0.030 0.000 2.095 510 L HA 0.115 4.458 4.340 0.005 0.000 0.204 510 L C 1.691 178.540 176.870 -0.034 0.000 1.080 510 L CA 2.218 57.035 54.840 -0.038 0.000 0.759 510 L CB -0.521 41.511 42.059 -0.045 0.000 0.914 510 L HN 0.791 nan 8.230 nan 0.000 0.439 511 G N -1.001 107.782 108.800 -0.028 0.000 2.153 511 G HA2 -0.220 3.743 3.960 0.005 0.000 0.252 511 G HA3 -0.220 3.743 3.960 0.005 0.000 0.252 511 G C 0.149 175.033 174.900 -0.026 0.000 0.994 511 G CA 0.331 45.418 45.100 -0.022 0.000 0.698 511 G HN 0.259 nan 8.290 nan 0.000 0.521 512 V N 0.398 120.292 119.914 -0.034 0.000 2.581 512 V HA 0.756 4.879 4.120 0.005 0.000 0.303 512 V C 0.685 176.759 176.094 -0.033 0.000 1.041 512 V CA -0.946 61.332 62.300 -0.037 0.000 0.907 512 V CB 1.767 33.560 31.823 -0.049 0.000 0.994 512 V HN 0.318 nan 8.190 nan 0.000 0.442 513 L N 0.000 121.206 121.223 -0.029 0.000 2.949 513 L HA 0.000 4.343 4.340 0.005 0.000 0.249 513 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 513 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 513 L HN 0.000 nan 8.230 nan 0.000 0.502