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 2ayi_1_D DATA FIRST_RESID 3 DATA SEQUENCE AFKRNLEKLA ELAIRVGLNL EKGQEVIATA PIEAVDFVRL LAEKAYREGA DATA SEQUENCE SLFTVIYGDQ ELARKRLALA PEEGLDKAPA WLYEGMARAF REGAARLAVS DATA SEQUENCE GSDPKALEGL PPEKVGRAQK ANARAYKPAL EAITEFVTNW TIVPFAHPGW DATA SEQUENCE ARAVFPGLPE EEAVRRLWEA IFQATXXXXX XPIAAWEAHN RALHEKVAYL DATA SEQUENCE NARRFHALHF KGPGTDLVVG LAEGHLWQGG ATATKGGRLC NPNLPTEEVF DATA SEQUENCE TAPHRERVEG VVRASRPLAL GGTLVEGIFA RFERGFAVEV RAEKGEEVLR DATA SEQUENCE RLLDTDEGAR RLGEVALVPA DNPIAKTGLV FFDTLFDENA ASHIAFGQAY DATA SEQUENCE QENLEGXXXG EAFRKRGGNE SLVHVDWMIG SEEMDVDGLY EDGTRTPLMR DATA SEQUENCE RGRWVV 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.560 177.584 -0.039 0.000 1.274 3 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 3 A CB 0.000 19.030 19.000 0.050 0.000 0.831 4 F N 1.316 121.159 119.950 -0.179 0.000 2.582 4 F HA 0.414 4.941 4.527 0.001 0.000 0.290 4 F C 1.480 177.045 175.800 -0.393 0.000 1.115 4 F CA 1.680 59.474 58.000 -0.342 0.000 1.445 4 F CB 0.061 38.845 39.000 -0.359 0.000 1.126 4 F HN 0.183 nan 8.300 nan 0.000 0.574 5 K N 0.772 120.636 120.400 -0.893 0.000 2.209 5 K HA -0.084 4.237 4.320 0.001 0.000 0.204 5 K C 1.989 178.304 176.600 -0.475 0.000 1.048 5 K CA 1.052 56.833 56.287 -0.843 0.000 0.940 5 K CB -0.057 32.135 32.500 -0.513 0.000 0.729 5 K HN 0.293 nan 8.250 nan 0.000 0.451 6 R N 0.032 120.329 120.500 -0.339 0.000 2.235 6 R HA 0.004 4.344 4.340 0.001 0.000 0.213 6 R C 1.561 177.728 176.300 -0.222 0.000 1.059 6 R CA 0.673 56.643 56.100 -0.217 0.000 0.997 6 R CB -0.004 30.210 30.300 -0.144 0.000 0.884 6 R HN 0.255 nan 8.270 nan 0.000 0.462 7 N N 0.550 119.038 118.700 -0.352 0.000 2.322 7 N HA -0.083 4.657 4.740 0.001 0.000 0.186 7 N C 1.694 177.066 175.510 -0.229 0.000 1.037 7 N CA 0.371 53.181 53.050 -0.400 0.000 0.869 7 N CB -0.355 37.582 38.487 -0.916 0.000 1.036 7 N HN 0.038 nan 8.380 nan 0.000 0.439 8 L N 2.663 123.715 121.223 -0.284 0.000 2.085 8 L HA -0.222 4.119 4.340 0.001 0.000 0.218 8 L C 2.078 179.013 176.870 0.108 0.000 1.080 8 L CA 1.852 56.801 54.840 0.183 0.000 0.776 8 L CB -0.920 41.056 42.059 -0.139 0.000 0.891 8 L HN 0.332 nan 8.230 nan 0.000 0.437 9 E N -0.476 119.683 120.200 -0.069 0.000 2.017 9 E HA -0.287 4.063 4.350 0.001 0.000 0.193 9 E C 2.123 178.718 176.600 -0.008 0.000 0.997 9 E CA 1.427 57.788 56.400 -0.064 0.000 0.804 9 E CB 0.066 29.702 29.700 -0.107 0.000 0.757 9 E HN 0.260 nan 8.360 nan 0.000 0.448 10 K N 0.664 121.064 120.400 0.001 0.000 2.044 10 K HA -0.195 4.126 4.320 0.001 0.000 0.210 10 K C 2.045 178.699 176.600 0.091 0.000 1.049 10 K CA 1.177 57.482 56.287 0.031 0.000 0.927 10 K CB -0.773 31.746 32.500 0.031 0.000 0.713 10 K HN 0.138 nan 8.250 nan 0.000 0.443 11 L N 0.536 121.885 121.223 0.211 0.000 1.951 11 L HA -0.248 4.093 4.340 0.001 0.000 0.222 11 L C 1.995 178.981 176.870 0.192 0.000 1.078 11 L CA 2.611 57.631 54.840 0.300 0.000 0.778 11 L CB -1.377 41.014 42.059 0.553 0.000 0.893 11 L HN 0.211 nan 8.230 nan 0.000 0.436 12 A N -0.731 122.182 122.820 0.155 0.000 1.869 12 A HA -0.360 3.960 4.320 0.001 0.000 0.218 12 A C 2.323 179.878 177.584 -0.049 0.000 1.203 12 A CA 2.295 54.306 52.037 -0.044 0.000 0.638 12 A CB -1.177 17.697 19.000 -0.210 0.000 0.831 12 A HN 0.716 nan 8.150 nan 0.000 0.450 13 E N -0.452 119.725 120.200 -0.039 0.000 2.086 13 E HA -0.259 4.091 4.350 0.001 0.000 0.200 13 E C 1.983 178.559 176.600 -0.039 0.000 1.012 13 E CA 1.621 57.995 56.400 -0.044 0.000 0.812 13 E CB -0.271 29.408 29.700 -0.034 0.000 0.743 13 E HN 0.646 nan 8.360 nan 0.000 0.453 14 L N 0.134 121.340 121.223 -0.030 0.000 2.027 14 L HA -0.133 4.207 4.340 0.001 0.000 0.206 14 L C 2.494 179.319 176.870 -0.075 0.000 1.074 14 L CA 1.602 56.400 54.840 -0.071 0.000 0.745 14 L CB -0.492 41.513 42.059 -0.090 0.000 0.898 14 L HN 0.230 nan 8.230 nan 0.000 0.433 15 A N 0.015 122.821 122.820 -0.022 0.000 2.009 15 A HA -0.275 4.046 4.320 0.001 0.000 0.222 15 A C 1.924 179.499 177.584 -0.015 0.000 1.175 15 A CA 2.482 54.520 52.037 0.002 0.000 0.651 15 A CB -0.691 18.343 19.000 0.056 0.000 0.815 15 A HN 0.550 nan 8.150 nan 0.000 0.459 16 I N -1.965 118.589 120.570 -0.026 0.000 2.499 16 I HA 0.076 4.247 4.170 0.001 0.000 0.243 16 I C 2.320 178.418 176.117 -0.031 0.000 1.085 16 I CA 0.917 62.206 61.300 -0.018 0.000 1.422 16 I CB -0.492 37.500 38.000 -0.013 0.000 1.165 16 I HN 0.123 nan 8.210 nan 0.000 0.440 17 R N -0.162 120.313 120.500 -0.042 0.000 2.293 17 R HA -0.030 4.311 4.340 0.001 0.000 0.219 17 R C 1.305 177.568 176.300 -0.062 0.000 1.091 17 R CA 0.939 57.014 56.100 -0.043 0.000 1.004 17 R CB 0.172 30.448 30.300 -0.040 0.000 0.865 17 R HN 0.253 nan 8.270 nan 0.000 0.469 18 V N -3.229 116.628 119.914 -0.095 0.000 3.103 18 V HA 0.140 4.260 4.120 0.001 0.000 0.229 18 V C 1.950 177.965 176.094 -0.131 0.000 1.304 18 V CA 0.848 63.069 62.300 -0.133 0.000 1.298 18 V CB -0.067 31.609 31.823 -0.246 0.000 1.093 18 V HN 0.342 nan 8.190 nan 0.000 0.489 19 G N 0.808 109.530 108.800 -0.131 0.000 2.480 19 G HA2 -0.173 3.788 3.960 0.001 0.000 0.216 19 G HA3 -0.173 3.788 3.960 0.001 0.000 0.216 19 G C 1.452 176.307 174.900 -0.074 0.000 1.200 19 G CA 1.403 46.445 45.100 -0.097 0.000 0.782 19 G HN 0.417 nan 8.290 nan 0.000 0.554 20 L N -0.915 120.283 121.223 -0.043 0.000 2.298 20 L HA 0.225 4.566 4.340 0.001 0.000 0.209 20 L C 1.345 178.200 176.870 -0.025 0.000 1.084 20 L CA 0.572 55.398 54.840 -0.025 0.000 0.816 20 L CB -0.203 41.860 42.059 0.008 0.000 0.967 20 L HN 0.358 nan 8.230 nan 0.000 0.460 21 N N 0.563 119.246 118.700 -0.028 0.000 2.754 21 N HA -0.219 4.522 4.740 0.001 0.000 0.248 21 N C -0.216 175.291 175.510 -0.004 0.000 1.093 21 N CA 0.094 53.131 53.050 -0.022 0.000 0.699 21 N CB -1.279 37.192 38.487 -0.026 0.000 1.016 21 N HN 0.122 nan 8.380 nan 0.000 0.552 22 L N 1.071 122.296 121.223 0.004 0.000 2.706 22 L HA 0.013 4.353 4.340 0.001 0.000 0.282 22 L C 0.764 177.647 176.870 0.022 0.000 1.219 22 L CA 1.100 55.951 54.840 0.019 0.000 0.935 22 L CB 0.067 42.141 42.059 0.025 0.000 1.204 22 L HN 0.272 nan 8.230 nan 0.000 0.491 23 E N 4.655 124.871 120.200 0.027 0.000 2.266 23 E HA 0.218 4.568 4.350 0.001 0.000 0.277 23 E C -0.377 176.245 176.600 0.038 0.000 1.018 23 E CA -0.909 55.508 56.400 0.028 0.000 0.840 23 E CB 0.767 30.483 29.700 0.027 0.000 1.082 23 E HN 0.617 nan 8.360 nan 0.000 0.395 24 K N 2.269 122.691 120.400 0.037 0.000 2.550 24 K HA 0.037 4.357 4.320 0.001 0.000 0.280 24 K C 0.619 177.249 176.600 0.050 0.000 0.987 24 K CA 0.573 56.888 56.287 0.045 0.000 1.048 24 K CB 0.085 32.607 32.500 0.037 0.000 0.879 24 K HN 0.710 nan 8.250 nan 0.000 0.491 25 G N 1.377 110.215 108.800 0.064 0.000 2.147 25 G HA2 -0.339 3.622 3.960 0.001 0.000 0.244 25 G HA3 -0.339 3.622 3.960 0.001 0.000 0.244 25 G C -0.260 174.679 174.900 0.066 0.000 1.005 25 G CA 0.550 45.689 45.100 0.065 0.000 0.713 25 G HN 0.802 nan 8.290 nan 0.000 0.515 26 Q N -0.027 119.815 119.800 0.070 0.000 2.293 26 Q HA 0.540 4.880 4.340 0.001 0.000 0.261 26 Q C 0.369 176.411 176.000 0.071 0.000 0.960 26 Q CA -0.697 55.144 55.803 0.064 0.000 0.882 26 Q CB 0.930 29.701 28.738 0.055 0.000 1.275 26 Q HN 0.499 nan 8.270 nan 0.000 0.445 27 E N 1.892 122.131 120.200 0.066 0.000 2.392 27 E HA 0.246 4.597 4.350 0.001 0.000 0.256 27 E C -1.306 175.307 176.600 0.020 0.000 1.145 27 E CA -0.353 56.080 56.400 0.056 0.000 0.929 27 E CB 0.921 30.652 29.700 0.052 0.000 0.998 27 E HN 0.394 nan 8.360 nan 0.000 0.442 28 V N 5.237 125.120 119.914 -0.052 0.000 2.439 28 V HA 0.259 4.380 4.120 0.001 0.000 0.277 28 V C -0.174 175.740 176.094 -0.300 0.000 1.008 28 V CA -0.500 61.709 62.300 -0.153 0.000 0.846 28 V CB 0.804 32.501 31.823 -0.209 0.000 1.031 28 V HN 0.605 nan 8.190 nan 0.000 0.441 29 I N 3.714 124.212 120.570 -0.121 0.000 2.519 29 I HA 0.673 4.843 4.170 0.001 0.000 0.287 29 I C 0.574 176.589 176.117 -0.170 0.000 1.047 29 I CA 0.089 61.317 61.300 -0.121 0.000 1.381 29 I CB 1.522 39.567 38.000 0.075 0.000 1.417 29 I HN 0.662 nan 8.210 nan 0.000 0.540 30 A N 4.381 127.054 122.820 -0.246 0.000 2.422 30 A HA 0.706 5.026 4.320 0.001 0.000 0.302 30 A C -0.542 176.998 177.584 -0.073 0.000 1.041 30 A CA -0.503 51.433 52.037 -0.169 0.000 0.708 30 A CB 1.506 20.321 19.000 -0.308 0.000 1.257 30 A HN 0.622 nan 8.150 nan 0.000 0.414 31 T N 1.191 115.754 114.554 0.013 0.000 2.867 31 T HA 0.802 5.152 4.350 0.001 0.000 0.282 31 T C 0.027 174.775 174.700 0.079 0.000 1.000 31 T CA 0.319 62.438 62.100 0.031 0.000 1.042 31 T CB 1.490 70.381 68.868 0.038 0.000 0.973 31 T HN 1.804 nan 8.240 nan 0.000 0.465 32 A N 3.659 126.551 122.820 0.121 0.000 2.586 32 A HA 0.752 5.073 4.320 0.001 0.000 0.291 32 A C -3.260 174.463 177.584 0.231 0.000 1.062 32 A CA -1.588 50.568 52.037 0.198 0.000 0.666 32 A CB 0.968 20.158 19.000 0.317 0.000 1.281 32 A HN 0.537 nan 8.150 nan 0.000 0.421 33 P HA 0.362 nan 4.420 nan 0.000 0.293 33 P C 0.825 178.146 177.300 0.036 0.000 1.313 33 P CA -0.345 62.791 63.100 0.059 0.000 0.787 33 P CB 0.806 32.456 31.700 -0.083 0.000 0.910 34 I N 2.940 123.513 120.570 0.005 0.000 2.707 34 I HA -0.272 3.898 4.170 0.001 0.000 0.266 34 I C 0.982 176.996 176.117 -0.172 0.000 1.215 34 I CA 1.510 62.697 61.300 -0.189 0.000 1.442 34 I CB 0.120 38.093 38.000 -0.045 0.000 1.108 34 I HN 0.408 nan 8.210 nan 0.000 0.464 35 E N 0.240 120.419 120.200 -0.035 0.000 2.463 35 E HA 0.173 4.523 4.350 0.001 0.000 0.193 35 E C 0.878 177.505 176.600 0.045 0.000 1.041 35 E CA 0.462 56.876 56.400 0.024 0.000 0.879 35 E CB 0.451 30.231 29.700 0.133 0.000 0.997 35 E HN 0.476 nan 8.360 nan 0.000 0.478 36 A N 1.120 123.951 122.820 0.018 0.000 2.643 36 A HA 0.342 4.662 4.320 0.001 0.000 0.295 36 A C 1.558 179.197 177.584 0.092 0.000 1.065 36 A CA -0.332 51.757 52.037 0.087 0.000 0.986 36 A CB -0.085 18.995 19.000 0.134 0.000 1.212 36 A HN 0.045 nan 8.150 nan 0.000 0.516 37 V N 0.581 120.465 119.914 -0.051 0.000 2.231 37 V HA -0.346 3.774 4.120 0.001 0.000 0.250 37 V C 2.205 178.344 176.094 0.074 0.000 1.058 37 V CA 2.553 64.821 62.300 -0.054 0.000 1.022 37 V CB -0.688 31.052 31.823 -0.139 0.000 0.640 37 V HN 0.620 nan 8.190 nan 0.000 0.445 38 D N -0.834 119.600 120.400 0.057 0.000 2.218 38 D HA -0.247 4.393 4.640 0.001 0.000 0.194 38 D C 1.878 178.229 176.300 0.085 0.000 1.007 38 D CA 1.889 55.924 54.000 0.058 0.000 0.879 38 D CB -0.253 40.581 40.800 0.056 0.000 0.918 38 D HN 0.507 nan 8.370 nan 0.000 0.449 39 F N 1.416 121.339 119.950 -0.044 0.000 2.098 39 F HA -0.156 4.371 4.527 0.000 0.000 0.294 39 F C 2.366 178.162 175.800 -0.006 0.000 1.107 39 F CA 0.599 58.563 58.000 -0.060 0.000 1.234 39 F CB -0.606 38.363 39.000 -0.052 0.000 1.002 39 F HN -0.245 nan 8.300 nan 0.000 0.472 40 V N 1.270 121.267 119.914 0.138 0.000 2.236 40 V HA -0.436 3.685 4.120 0.001 0.000 0.255 40 V C 2.525 178.527 176.094 -0.154 0.000 1.068 40 V CA 2.562 64.926 62.300 0.106 0.000 1.044 40 V CB -1.005 31.035 31.823 0.361 0.000 0.653 40 V HN 0.299 nan 8.190 nan 0.000 0.448 41 R N -0.739 119.704 120.500 -0.095 0.000 2.094 41 R HA -0.182 4.159 4.340 0.001 0.000 0.239 41 R C 2.338 178.474 176.300 -0.274 0.000 1.137 41 R CA 1.732 57.727 56.100 -0.175 0.000 0.943 41 R CB -0.725 29.535 30.300 -0.067 0.000 0.850 41 R HN 0.321 nan 8.270 nan 0.000 0.433 42 L N 1.375 122.448 121.223 -0.249 0.000 2.021 42 L HA -0.233 4.107 4.340 0.001 0.000 0.215 42 L C 2.083 178.730 176.870 -0.372 0.000 1.074 42 L CA 1.814 56.483 54.840 -0.285 0.000 0.760 42 L CB -0.940 40.935 42.059 -0.307 0.000 0.889 42 L HN 0.274 nan 8.230 nan 0.000 0.433 43 L N -1.039 119.883 121.223 -0.501 0.000 1.961 43 L HA -0.197 4.144 4.340 0.001 0.000 0.210 43 L C 2.751 179.289 176.870 -0.554 0.000 1.072 43 L CA 1.364 55.930 54.840 -0.456 0.000 0.749 43 L CB -1.015 40.832 42.059 -0.353 0.000 0.889 43 L HN 0.286 nan 8.230 nan 0.000 0.432 44 A N 0.258 122.440 122.820 -1.064 0.000 1.882 44 A HA -0.401 3.920 4.320 0.001 0.000 0.220 44 A C 2.212 179.420 177.584 -0.626 0.000 1.253 44 A CA 2.654 53.782 52.037 -1.515 0.000 0.664 44 A CB -1.115 17.052 19.000 -1.389 0.000 0.838 44 A HN 0.589 nan 8.150 nan 0.000 0.460 45 E N -0.761 119.237 120.200 -0.338 0.000 2.068 45 E HA -0.319 4.032 4.350 0.001 0.000 0.207 45 E C 1.878 178.423 176.600 -0.091 0.000 1.032 45 E CA 1.938 58.270 56.400 -0.113 0.000 0.839 45 E CB -0.161 29.471 29.700 -0.114 0.000 0.758 45 E HN 0.455 nan 8.360 nan 0.000 0.457 46 K N -0.075 120.234 120.400 -0.152 0.000 2.211 46 K HA -0.072 4.249 4.320 0.001 0.000 0.203 46 K C 1.996 178.550 176.600 -0.077 0.000 1.050 46 K CA 0.933 57.160 56.287 -0.100 0.000 0.945 46 K CB -0.369 32.061 32.500 -0.116 0.000 0.732 46 K HN 0.286 nan 8.250 nan 0.000 0.451 47 A N 0.606 123.339 122.820 -0.145 0.000 1.858 47 A HA -0.175 4.145 4.320 0.001 0.000 0.216 47 A C 2.002 179.568 177.584 -0.029 0.000 1.190 47 A CA 1.311 53.295 52.037 -0.089 0.000 0.617 47 A CB -0.759 18.186 19.000 -0.091 0.000 0.827 47 A HN 0.206 nan 8.150 nan 0.000 0.443 48 Y N -0.337 119.960 120.300 -0.005 0.000 2.242 48 Y HA -0.074 4.476 4.550 0.000 0.000 0.291 48 Y C 2.491 178.386 175.900 -0.009 0.000 1.137 48 Y CA 1.234 59.337 58.100 0.004 0.000 1.181 48 Y CB -0.483 37.967 38.460 -0.016 0.000 0.989 48 Y HN 0.216 nan 8.280 nan 0.000 0.527 49 R N 0.127 120.704 120.500 0.128 0.000 2.303 49 R HA -0.133 4.208 4.340 0.001 0.000 0.225 49 R C 1.184 177.512 176.300 0.046 0.000 1.114 49 R CA 0.995 57.131 56.100 0.060 0.000 1.007 49 R CB -0.004 30.307 30.300 0.018 0.000 0.861 49 R HN 0.310 nan 8.270 nan 0.000 0.471 50 E N -1.580 118.651 120.200 0.053 0.000 2.476 50 E HA 0.107 4.457 4.350 0.001 0.000 0.199 50 E C 1.070 177.702 176.600 0.054 0.000 1.021 50 E CA 0.595 57.018 56.400 0.038 0.000 0.907 50 E CB 1.508 31.220 29.700 0.021 0.000 0.974 50 E HN 0.493 nan 8.360 nan 0.000 0.489 51 G N 0.924 109.776 108.800 0.087 0.000 2.624 51 G HA2 -0.180 3.780 3.960 0.001 0.000 0.190 51 G HA3 -0.180 3.780 3.960 0.001 0.000 0.190 51 G C 0.570 175.553 174.900 0.138 0.000 1.008 51 G CA -0.194 44.961 45.100 0.092 0.000 0.731 51 G HN 0.403 nan 8.290 nan 0.000 0.478 52 A N 1.078 123.994 122.820 0.160 0.000 2.600 52 A HA 0.435 4.755 4.320 0.001 0.000 0.244 52 A C 1.634 179.431 177.584 0.355 0.000 1.016 52 A CA 1.771 53.925 52.037 0.194 0.000 0.778 52 A CB 0.114 19.159 19.000 0.074 0.000 0.920 52 A HN 1.763 nan 8.150 nan 0.000 0.513 53 S N 1.233 117.087 115.700 0.258 0.000 2.556 53 S HA 0.427 4.897 4.470 0.001 0.000 0.216 53 S C 0.002 174.796 174.600 0.324 0.000 0.970 53 S CA 0.453 58.797 58.200 0.241 0.000 0.912 53 S CB -0.118 63.160 63.200 0.131 0.000 0.790 53 S HN 1.661 nan 8.310 nan 0.000 0.504 54 L N 0.073 121.544 121.223 0.414 0.000 3.055 54 L HA 0.479 4.819 4.340 0.001 0.000 0.261 54 L C -2.235 174.756 176.870 0.202 0.000 0.939 54 L CA -0.611 54.461 54.840 0.386 0.000 1.091 54 L CB 0.874 43.049 42.059 0.194 0.000 1.690 54 L HN 0.190 nan 8.230 nan 0.000 0.520 55 F N 4.281 124.238 119.950 0.012 0.000 2.313 55 F HA 0.673 5.201 4.527 0.001 0.000 0.369 55 F C 0.011 175.792 175.800 -0.033 0.000 1.109 55 F CA 0.036 57.937 58.000 -0.165 0.000 1.132 55 F CB 1.046 39.778 39.000 -0.447 0.000 1.291 55 F HN 0.547 nan 8.300 nan 0.000 0.496 56 T N 5.817 120.258 114.554 -0.188 0.000 2.758 56 T HA 0.532 4.883 4.350 0.001 0.000 0.285 56 T C -0.480 174.078 174.700 -0.236 0.000 0.981 56 T CA -0.665 61.369 62.100 -0.111 0.000 0.965 56 T CB 1.053 69.874 68.868 -0.078 0.000 0.927 56 T HN 0.398 nan 8.240 nan 0.000 0.448 57 V N 1.424 121.222 119.914 -0.193 0.000 2.628 57 V HA 0.713 4.834 4.120 0.001 0.000 0.306 57 V C -0.551 175.296 176.094 -0.412 0.000 1.045 57 V CA -1.105 61.003 62.300 -0.319 0.000 0.905 57 V CB 1.489 33.098 31.823 -0.357 0.000 0.997 57 V HN 0.857 nan 8.190 nan 0.000 0.436 58 I N 4.920 125.296 120.570 -0.324 0.000 2.390 58 I HA 0.411 4.582 4.170 0.001 0.000 0.283 58 I C -0.983 175.027 176.117 -0.178 0.000 1.016 58 I CA -0.469 60.691 61.300 -0.233 0.000 1.151 58 I CB 1.194 39.126 38.000 -0.114 0.000 1.293 58 I HN 0.634 nan 8.210 nan 0.000 0.458 59 Y N 3.856 124.178 120.300 0.037 0.000 2.309 59 Y HA 0.458 5.009 4.550 0.000 0.000 0.327 59 Y C 1.055 176.966 175.900 0.020 0.000 1.172 59 Y CA -0.846 57.276 58.100 0.037 0.000 1.280 59 Y CB 1.161 39.651 38.460 0.050 0.000 1.234 59 Y HN 0.515 nan 8.280 nan 0.000 0.512 60 G N 2.732 111.645 108.800 0.189 0.000 2.588 60 G HA2 0.283 4.243 3.960 0.001 0.000 0.312 60 G HA3 0.283 4.243 3.960 0.001 0.000 0.312 60 G C -1.383 173.560 174.900 0.072 0.000 1.257 60 G CA -0.545 44.610 45.100 0.091 0.000 0.994 60 G HN 0.516 nan 8.290 nan 0.000 0.498 61 D N 1.746 122.186 120.400 0.067 0.000 2.225 61 D HA 0.182 4.822 4.640 0.001 0.000 0.248 61 D C 1.209 177.532 176.300 0.037 0.000 1.096 61 D CA -0.369 53.662 54.000 0.051 0.000 0.863 61 D CB 1.831 42.661 40.800 0.051 0.000 1.156 61 D HN 0.411 nan 8.370 nan 0.000 0.450 62 Q N 1.913 121.736 119.800 0.038 0.000 2.163 62 Q HA -0.050 4.291 4.340 0.001 0.000 0.198 62 Q C 1.301 177.319 176.000 0.030 0.000 0.954 62 Q CA 0.406 56.228 55.803 0.031 0.000 0.851 62 Q CB 0.376 29.139 28.738 0.041 0.000 0.928 62 Q HN 0.519 nan 8.270 nan 0.000 0.459 63 E N 1.178 121.398 120.200 0.033 0.000 2.160 63 E HA -0.162 4.188 4.350 0.001 0.000 0.195 63 E C 1.913 178.527 176.600 0.023 0.000 0.991 63 E CA 0.851 57.267 56.400 0.025 0.000 0.810 63 E CB -0.028 29.686 29.700 0.023 0.000 0.742 63 E HN 0.372 nan 8.360 nan 0.000 0.466 64 L N -0.147 121.093 121.223 0.028 0.000 2.017 64 L HA -0.183 4.157 4.340 0.001 0.000 0.208 64 L C 2.501 179.386 176.870 0.024 0.000 1.073 64 L CA 1.330 56.187 54.840 0.028 0.000 0.745 64 L CB -0.380 41.700 42.059 0.035 0.000 0.894 64 L HN 0.072 nan 8.230 nan 0.000 0.432 65 A N -0.355 122.478 122.820 0.023 0.000 1.968 65 A HA -0.217 4.103 4.320 0.001 0.000 0.217 65 A C 2.320 179.913 177.584 0.016 0.000 1.169 65 A CA 1.445 53.493 52.037 0.019 0.000 0.638 65 A CB -0.482 18.528 19.000 0.015 0.000 0.812 65 A HN 0.311 nan 8.150 nan 0.000 0.446 66 R N 0.091 120.600 120.500 0.016 0.000 2.091 66 R HA -0.131 4.209 4.340 0.001 0.000 0.238 66 R C 1.947 178.254 176.300 0.011 0.000 1.136 66 R CA 2.024 58.132 56.100 0.013 0.000 0.959 66 R CB -0.219 30.089 30.300 0.013 0.000 0.856 66 R HN 0.469 nan 8.270 nan 0.000 0.437 67 K N -0.457 119.951 120.400 0.013 0.000 2.288 67 K HA -0.095 4.226 4.320 0.001 0.000 0.201 67 K C 2.077 178.685 176.600 0.013 0.000 1.048 67 K CA 0.697 56.991 56.287 0.012 0.000 0.956 67 K CB 0.020 32.529 32.500 0.014 0.000 0.746 67 K HN 0.163 nan 8.250 nan 0.000 0.461 68 R N 1.329 121.838 120.500 0.015 0.000 2.070 68 R HA -0.085 4.256 4.340 0.001 0.000 0.227 68 R C 2.146 178.454 176.300 0.013 0.000 1.147 68 R CA 1.175 57.284 56.100 0.016 0.000 0.924 68 R CB -0.415 29.896 30.300 0.018 0.000 0.827 68 R HN 0.049 nan 8.270 nan 0.000 0.431 69 L N 0.684 121.914 121.223 0.011 0.000 2.051 69 L HA -0.226 4.115 4.340 0.001 0.000 0.214 69 L C 2.676 179.550 176.870 0.007 0.000 1.076 69 L CA 1.677 56.522 54.840 0.008 0.000 0.758 69 L CB -0.572 41.492 42.059 0.007 0.000 0.890 69 L HN 0.415 nan 8.230 nan 0.000 0.433 70 A N -1.082 121.742 122.820 0.007 0.000 2.119 70 A HA 0.084 4.404 4.320 0.001 0.000 0.216 70 A C 2.064 179.651 177.584 0.005 0.000 1.152 70 A CA 1.027 53.067 52.037 0.005 0.000 0.708 70 A CB -0.120 18.883 19.000 0.004 0.000 0.805 70 A HN 0.434 nan 8.150 nan 0.000 0.460 71 L N -2.104 119.123 121.223 0.007 0.000 2.766 71 L HA 0.332 4.672 4.340 0.001 0.000 0.241 71 L C 1.249 178.124 176.870 0.008 0.000 1.080 71 L CA 0.138 54.983 54.840 0.007 0.000 0.909 71 L CB 0.011 42.075 42.059 0.008 0.000 1.277 71 L HN 0.245 nan 8.230 nan 0.000 0.510 72 A N 1.997 124.823 122.820 0.010 0.000 2.466 72 A HA 0.384 4.704 4.320 0.001 0.000 0.238 72 A C -2.127 175.462 177.584 0.010 0.000 1.074 72 A CA -0.610 51.434 52.037 0.011 0.000 0.774 72 A CB -0.652 18.356 19.000 0.014 0.000 1.015 72 A HN 0.001 nan 8.150 nan 0.000 0.498 73 P HA 0.220 nan 4.420 nan 0.000 0.279 73 P C -0.335 176.970 177.300 0.009 0.000 1.239 73 P CA -0.266 62.838 63.100 0.008 0.000 0.789 73 P CB 0.801 32.505 31.700 0.008 0.000 0.933 74 E N 1.053 121.257 120.200 0.007 0.000 2.428 74 E HA -0.059 4.291 4.350 0.001 0.000 0.257 74 E C 0.275 176.879 176.600 0.007 0.000 1.197 74 E CA 0.027 56.431 56.400 0.006 0.000 0.974 74 E CB 0.058 29.761 29.700 0.004 0.000 0.976 74 E HN 0.468 nan 8.360 nan 0.000 0.463 75 E N -1.100 119.104 120.200 0.008 0.000 3.065 75 E HA -0.282 4.068 4.350 0.001 0.000 0.277 75 E C 0.601 177.208 176.600 0.011 0.000 1.008 75 E CA 0.453 56.858 56.400 0.008 0.000 0.864 75 E CB -1.135 28.569 29.700 0.007 0.000 1.439 75 E HN 0.747 nan 8.360 nan 0.000 0.445 76 G N -1.080 107.727 108.800 0.013 0.000 2.801 76 G HA2 0.203 4.164 3.960 0.001 0.000 0.213 76 G HA3 0.203 4.164 3.960 0.001 0.000 0.213 76 G C 0.974 175.886 174.900 0.020 0.000 1.052 76 G CA -0.191 44.918 45.100 0.016 0.000 0.868 76 G HN 0.046 nan 8.290 nan 0.000 0.589 77 L N 1.401 122.635 121.223 0.017 0.000 2.275 77 L HA 0.115 4.456 4.340 0.001 0.000 0.215 77 L C 1.501 178.384 176.870 0.023 0.000 1.119 77 L CA 1.052 55.903 54.840 0.019 0.000 0.790 77 L CB -0.442 41.626 42.059 0.015 0.000 0.919 77 L HN 0.039 nan 8.230 nan 0.000 0.443 78 D N -0.497 119.916 120.400 0.021 0.000 2.429 78 D HA -0.110 4.531 4.640 0.001 0.000 0.230 78 D C 0.668 176.987 176.300 0.033 0.000 1.005 78 D CA 0.738 54.753 54.000 0.024 0.000 0.963 78 D CB -0.076 40.736 40.800 0.020 0.000 0.872 78 D HN 0.069 nan 8.370 nan 0.000 0.524 79 K N 0.691 121.114 120.400 0.037 0.000 2.174 79 K HA 0.656 4.976 4.320 0.001 0.000 0.275 79 K C -0.334 176.297 176.600 0.053 0.000 1.015 79 K CA -0.427 55.889 56.287 0.048 0.000 0.933 79 K CB 1.775 34.307 32.500 0.053 0.000 1.025 79 K HN -0.018 nan 8.250 nan 0.000 0.463 80 A N 3.496 126.351 122.820 0.060 0.000 2.498 80 A HA 0.573 4.893 4.320 0.001 0.000 0.298 80 A C -2.500 175.072 177.584 -0.019 0.000 1.075 80 A CA -1.398 50.672 52.037 0.055 0.000 0.714 80 A CB 1.333 20.389 19.000 0.094 0.000 1.299 80 A HN 0.379 nan 8.150 nan 0.000 0.407 81 P HA 0.289 nan 4.420 nan 0.000 0.225 81 P C 0.944 177.749 177.300 -0.825 0.000 1.768 81 P CA 0.510 63.181 63.100 -0.715 0.000 0.943 81 P CB 0.354 31.437 31.700 -1.028 0.000 1.936 82 A N 1.786 124.424 122.820 -0.304 0.000 1.859 82 A HA -0.193 4.127 4.320 0.001 0.000 0.217 82 A C 1.995 179.462 177.584 -0.196 0.000 1.198 82 A CA 1.669 53.647 52.037 -0.098 0.000 0.629 82 A CB -1.791 17.241 19.000 0.053 0.000 0.830 82 A HN 0.526 nan 8.150 nan 0.000 0.446 83 W N -0.076 121.187 121.300 -0.062 0.000 2.302 83 W HA -0.260 4.400 4.660 0.000 0.000 0.320 83 W C 1.693 178.147 176.519 -0.109 0.000 1.241 83 W CA 1.448 58.749 57.345 -0.074 0.000 1.264 83 W CB -1.656 27.759 29.460 -0.075 0.000 1.154 83 W HN 0.331 nan 8.180 nan 0.000 0.483 84 L N 0.954 121.509 121.223 -1.113 0.000 1.970 84 L HA -0.203 4.137 4.340 0.001 0.000 0.212 84 L C 2.855 179.445 176.870 -0.466 0.000 1.071 84 L CA 2.191 56.458 54.840 -0.955 0.000 0.751 84 L CB -1.474 39.604 42.059 -1.635 0.000 0.889 84 L HN 0.017 nan 8.230 nan 0.000 0.432 85 Y N 0.023 120.117 120.300 -0.344 0.000 2.097 85 Y HA -0.275 4.275 4.550 0.001 0.000 0.282 85 Y C 2.590 178.378 175.900 -0.186 0.000 1.152 85 Y CA 1.430 59.429 58.100 -0.169 0.000 1.136 85 Y CB -0.445 37.989 38.460 -0.043 0.000 0.975 85 Y HN 0.305 nan 8.280 nan 0.000 0.498 86 E N -0.125 120.079 120.200 0.008 0.000 2.219 86 E HA -0.197 4.154 4.350 0.001 0.000 0.198 86 E C 2.343 178.903 176.600 -0.068 0.000 0.998 86 E CA 0.805 57.187 56.400 -0.030 0.000 0.818 86 E CB -0.364 29.338 29.700 0.003 0.000 0.741 86 E HN 0.613 nan 8.360 nan 0.000 0.477 87 G N 0.920 109.676 108.800 -0.075 0.000 2.396 87 G HA2 -0.193 3.767 3.960 0.001 0.000 0.214 87 G HA3 -0.193 3.767 3.960 0.001 0.000 0.214 87 G C 1.548 176.326 174.900 -0.203 0.000 1.166 87 G CA 0.252 45.300 45.100 -0.087 0.000 0.793 87 G HN 0.075 nan 8.290 nan 0.000 0.533 88 M N 1.039 120.470 119.600 -0.281 0.000 2.202 88 M HA -0.030 4.451 4.480 0.001 0.000 0.262 88 M C 2.956 178.695 176.300 -0.935 0.000 1.063 88 M CA 1.237 56.180 55.300 -0.596 0.000 1.097 88 M CB -0.351 31.962 32.600 -0.477 0.000 1.382 88 M HN 0.318 nan 8.290 nan 0.000 0.413 89 A N 1.000 123.526 122.820 -0.489 0.000 1.828 89 A HA -0.167 4.154 4.320 0.001 0.000 0.215 89 A C 2.187 179.649 177.584 -0.205 0.000 1.203 89 A CA 1.466 53.322 52.037 -0.301 0.000 0.614 89 A CB -0.610 18.298 19.000 -0.154 0.000 0.844 89 A HN 0.330 nan 8.150 nan 0.000 0.445 90 R N -0.281 120.131 120.500 -0.147 0.000 2.159 90 R HA -0.263 4.078 4.340 0.001 0.000 0.249 90 R C 2.403 178.662 176.300 -0.069 0.000 1.136 90 R CA 1.811 57.864 56.100 -0.078 0.000 0.951 90 R CB -1.675 28.588 30.300 -0.062 0.000 0.876 90 R HN 0.588 nan 8.270 nan 0.000 0.440 91 A N 0.830 123.561 122.820 -0.148 0.000 1.903 91 A HA -0.185 4.135 4.320 0.001 0.000 0.219 91 A C 2.348 179.967 177.584 0.059 0.000 1.191 91 A CA 1.725 53.704 52.037 -0.096 0.000 0.638 91 A CB -0.918 17.961 19.000 -0.202 0.000 0.823 91 A HN 0.351 nan 8.150 nan 0.000 0.451 92 F N -0.718 119.216 119.950 -0.027 0.000 2.075 92 F HA -0.201 4.326 4.527 0.001 0.000 0.297 92 F C 2.785 178.576 175.800 -0.014 0.000 1.113 92 F CA 1.235 59.218 58.000 -0.028 0.000 1.218 92 F CB -0.286 38.673 39.000 -0.068 0.000 0.984 92 F HN 0.134 nan 8.300 nan 0.000 0.472 93 R N 0.495 121.102 120.500 0.178 0.000 2.127 93 R HA -0.174 4.166 4.340 0.001 0.000 0.238 93 R C 1.593 177.938 176.300 0.075 0.000 1.134 93 R CA 1.425 57.582 56.100 0.095 0.000 0.975 93 R CB -0.459 29.871 30.300 0.049 0.000 0.865 93 R HN 0.417 nan 8.270 nan 0.000 0.447 94 E N -0.797 119.444 120.200 0.069 0.000 2.511 94 E HA -0.001 4.350 4.350 0.001 0.000 0.196 94 E C 0.802 177.442 176.600 0.065 0.000 1.066 94 E CA 0.408 56.840 56.400 0.053 0.000 0.871 94 E CB 0.486 30.207 29.700 0.035 0.000 0.863 94 E HN 0.593 nan 8.360 nan 0.000 0.520 95 G N 0.643 109.497 108.800 0.090 0.000 2.211 95 G HA2 -0.230 3.730 3.960 0.001 0.000 0.201 95 G HA3 -0.230 3.730 3.960 0.001 0.000 0.201 95 G C 0.351 175.313 174.900 0.103 0.000 0.997 95 G CA -0.222 44.930 45.100 0.087 0.000 0.652 95 G HN 0.388 nan 8.290 nan 0.000 0.500 96 A N 0.822 123.725 122.820 0.140 0.000 2.491 96 A HA 0.791 5.112 4.320 0.001 0.000 0.261 96 A C 1.137 178.828 177.584 0.179 0.000 1.101 96 A CA 1.193 53.325 52.037 0.158 0.000 0.772 96 A CB 0.155 19.258 19.000 0.172 0.000 1.043 96 A HN 2.076 nan 8.150 nan 0.000 0.501 97 A N 2.914 125.795 122.820 0.101 0.000 2.409 97 A HA 0.528 4.848 4.320 0.001 0.000 0.246 97 A C 0.846 178.460 177.584 0.050 0.000 1.099 97 A CA -0.063 52.010 52.037 0.060 0.000 0.789 97 A CB 0.188 19.214 19.000 0.045 0.000 1.053 97 A HN 0.899 nan 8.150 nan 0.000 0.503 98 R N 1.184 121.685 120.500 0.001 0.000 2.625 98 R HA 0.337 4.677 4.340 0.001 0.000 0.286 98 R C -1.799 174.545 176.300 0.072 0.000 1.406 98 R CA -0.498 55.594 56.100 -0.014 0.000 1.052 98 R CB 0.530 30.594 30.300 -0.393 0.000 1.203 98 R HN 0.685 nan 8.270 nan 0.000 0.502 99 L N 2.611 123.859 121.223 0.041 0.000 2.456 99 L HA 0.768 5.108 4.340 0.001 0.000 0.257 99 L C -0.945 175.980 176.870 0.092 0.000 1.162 99 L CA 0.125 55.011 54.840 0.077 0.000 0.808 99 L CB 1.562 43.644 42.059 0.039 0.000 1.136 99 L HN 0.713 nan 8.230 nan 0.000 0.466 100 A N 3.276 126.178 122.820 0.137 0.000 2.500 100 A HA 0.565 4.886 4.320 0.001 0.000 0.288 100 A C -1.503 176.174 177.584 0.155 0.000 1.045 100 A CA -0.534 51.581 52.037 0.130 0.000 0.830 100 A CB 0.672 19.749 19.000 0.129 0.000 1.337 100 A HN 0.438 nan 8.150 nan 0.000 0.400 101 V N 2.964 122.972 119.914 0.158 0.000 2.461 101 V HA 0.609 4.730 4.120 0.001 0.000 0.275 101 V C 0.731 176.863 176.094 0.062 0.000 1.047 101 V CA 0.456 62.859 62.300 0.172 0.000 0.955 101 V CB 1.287 33.265 31.823 0.257 0.000 0.988 101 V HN 1.156 nan 8.190 nan 0.000 0.471 102 S N 2.907 118.607 115.700 0.001 0.000 2.600 102 S HA 0.943 5.414 4.470 0.001 0.000 0.300 102 S C -0.109 174.284 174.600 -0.346 0.000 1.087 102 S CA -0.165 57.967 58.200 -0.113 0.000 0.965 102 S CB 2.144 65.325 63.200 -0.030 0.000 1.089 102 S HN 1.849 nan 8.310 nan 0.000 0.496 103 G N 0.459 108.961 108.800 -0.498 0.000 2.246 103 G HA2 0.308 4.269 3.960 0.001 0.000 0.196 103 G HA3 0.308 4.269 3.960 0.001 0.000 0.196 103 G C -0.655 173.759 174.900 -0.811 0.000 2.264 103 G CA -0.188 44.323 45.100 -0.982 0.000 1.089 103 G HN 0.954 nan 8.290 nan 0.000 0.599 104 S N 0.170 115.530 115.700 -0.565 0.000 2.664 104 S HA 0.691 5.161 4.470 0.001 0.000 0.304 104 S C -0.600 173.974 174.600 -0.043 0.000 1.099 104 S CA -0.443 57.525 58.200 -0.386 0.000 1.003 104 S CB 1.916 65.014 63.200 -0.171 0.000 1.092 104 S HN 0.676 nan 8.310 nan 0.000 0.525 105 D N 2.405 122.869 120.400 0.107 0.000 2.380 105 D HA 0.380 5.020 4.640 0.001 0.000 0.230 105 D C -1.042 175.307 176.300 0.082 0.000 1.154 105 D CA -2.197 51.926 54.000 0.206 0.000 0.859 105 D CB 1.377 42.326 40.800 0.249 0.000 1.045 105 D HN 0.234 nan 8.370 nan 0.000 0.495 106 P HA -0.198 nan 4.420 nan 0.000 0.216 106 P C 0.158 177.450 177.300 -0.014 0.000 1.153 106 P CA 1.084 64.211 63.100 0.045 0.000 0.858 106 P CB 0.180 31.910 31.700 0.051 0.000 0.789 107 K N -0.194 120.154 120.400 -0.088 0.000 2.911 107 K HA 0.323 4.643 4.320 0.001 0.000 0.239 107 K C 1.430 178.013 176.600 -0.028 0.000 1.090 107 K CA -0.069 56.180 56.287 -0.063 0.000 1.225 107 K CB -0.102 32.333 32.500 -0.107 0.000 1.087 107 K HN 0.072 nan 8.250 nan 0.000 0.464 108 A N 0.344 123.164 122.820 0.001 0.000 1.956 108 A HA 0.082 4.402 4.320 0.001 0.000 0.212 108 A C 1.527 179.116 177.584 0.008 0.000 1.188 108 A CA 0.449 52.495 52.037 0.014 0.000 0.675 108 A CB 0.080 19.103 19.000 0.039 0.000 0.845 108 A HN 0.316 nan 8.150 nan 0.000 0.455 109 L N 0.472 121.700 121.223 0.008 0.000 2.653 109 L HA 0.168 4.509 4.340 0.001 0.000 0.232 109 L C 0.735 177.606 176.870 0.000 0.000 1.169 109 L CA -0.146 54.697 54.840 0.005 0.000 0.951 109 L CB -0.021 42.042 42.059 0.008 0.000 1.181 109 L HN 0.410 nan 8.230 nan 0.000 0.460 110 E N 0.692 120.890 120.200 -0.004 0.000 2.373 110 E HA 0.225 4.575 4.350 0.001 0.000 0.267 110 E C 0.984 177.579 176.600 -0.008 0.000 1.032 110 E CA 0.678 57.073 56.400 -0.008 0.000 0.889 110 E CB 0.684 30.374 29.700 -0.016 0.000 0.984 110 E HN 0.288 nan 8.360 nan 0.000 0.425 111 G N 3.593 112.389 108.800 -0.008 0.000 2.141 111 G HA2 -0.239 3.721 3.960 0.001 0.000 0.242 111 G HA3 -0.239 3.721 3.960 0.001 0.000 0.242 111 G C -0.175 174.722 174.900 -0.005 0.000 0.982 111 G CA 0.252 45.348 45.100 -0.007 0.000 0.662 111 G HN 0.426 nan 8.290 nan 0.000 0.527 112 L N 1.215 122.435 121.223 -0.005 0.000 2.365 112 L HA 0.494 4.834 4.340 0.001 0.000 0.273 112 L C -1.847 175.021 176.870 -0.004 0.000 1.000 112 L CA -2.485 52.353 54.840 -0.003 0.000 0.819 112 L CB 2.110 44.168 42.059 -0.001 0.000 1.284 112 L HN -0.119 nan 8.230 nan 0.000 0.418 113 P HA 0.020 nan 4.420 nan 0.000 0.250 113 P C -2.304 174.992 177.300 -0.007 0.000 1.161 113 P CA -0.817 62.279 63.100 -0.006 0.000 0.863 113 P CB 0.214 31.911 31.700 -0.005 0.000 0.827 114 P HA -0.160 nan 4.420 nan 0.000 0.220 114 P C 1.513 178.805 177.300 -0.012 0.000 1.144 114 P CA 1.162 64.255 63.100 -0.011 0.000 0.800 114 P CB 0.115 31.806 31.700 -0.015 0.000 0.772 115 E N -0.125 120.068 120.200 -0.011 0.000 2.077 115 E HA -0.191 4.159 4.350 0.001 0.000 0.193 115 E C 1.741 178.336 176.600 -0.008 0.000 0.989 115 E CA 1.190 57.584 56.400 -0.011 0.000 0.800 115 E CB -0.037 29.658 29.700 -0.010 0.000 0.746 115 E HN 0.232 nan 8.360 nan 0.000 0.452 116 K N -0.119 120.278 120.400 -0.005 0.000 1.991 116 K HA -0.078 4.243 4.320 0.001 0.000 0.207 116 K C 2.150 178.749 176.600 -0.002 0.000 1.045 116 K CA 1.230 57.516 56.287 -0.002 0.000 0.937 116 K CB -0.194 32.306 32.500 -0.000 0.000 0.720 116 K HN -0.016 nan 8.250 nan 0.000 0.438 117 V N 1.474 121.387 119.914 -0.002 0.000 2.363 117 V HA -0.301 3.820 4.120 0.001 0.000 0.254 117 V C 2.325 178.417 176.094 -0.004 0.000 1.074 117 V CA 2.258 64.557 62.300 -0.002 0.000 1.069 117 V CB -1.308 30.513 31.823 -0.003 0.000 0.659 117 V HN 0.569 nan 8.190 nan 0.000 0.455 118 G N -0.791 108.005 108.800 -0.007 0.000 2.404 118 G HA2 -0.263 3.697 3.960 0.001 0.000 0.214 118 G HA3 -0.263 3.697 3.960 0.001 0.000 0.214 118 G C 1.640 176.537 174.900 -0.005 0.000 1.189 118 G CA 0.733 45.828 45.100 -0.009 0.000 0.789 118 G HN 0.419 nan 8.290 nan 0.000 0.533 119 R N 0.414 120.912 120.500 -0.003 0.000 2.185 119 R HA -0.113 4.227 4.340 0.001 0.000 0.247 119 R C 2.612 178.915 176.300 0.005 0.000 1.159 119 R CA 1.522 57.623 56.100 0.001 0.000 0.988 119 R CB -0.176 30.125 30.300 0.002 0.000 0.871 119 R HN 0.375 nan 8.270 nan 0.000 0.458 120 A N -0.618 122.205 122.820 0.005 0.000 1.911 120 A HA -0.075 4.246 4.320 0.001 0.000 0.212 120 A C 1.922 179.511 177.584 0.008 0.000 1.189 120 A CA 0.607 52.650 52.037 0.010 0.000 0.639 120 A CB -0.235 18.770 19.000 0.009 0.000 0.839 120 A HN 0.380 nan 8.150 nan 0.000 0.449 121 Q N -0.076 119.724 119.800 0.000 0.000 2.172 121 Q HA -0.077 4.264 4.340 0.001 0.000 0.200 121 Q C 1.671 177.667 176.000 -0.005 0.000 0.964 121 Q CA 1.144 56.942 55.803 -0.008 0.000 0.855 121 Q CB -0.040 28.691 28.738 -0.013 0.000 0.918 121 Q HN 0.621 nan 8.270 nan 0.000 0.444 122 K N -0.429 119.971 120.400 -0.001 0.000 2.280 122 K HA -0.087 4.233 4.320 0.001 0.000 0.202 122 K C 1.743 178.348 176.600 0.007 0.000 1.047 122 K CA 0.962 57.249 56.287 0.001 0.000 0.942 122 K CB 0.081 32.581 32.500 -0.001 0.000 0.739 122 K HN 0.158 nan 8.250 nan 0.000 0.457 123 A N 0.889 123.717 122.820 0.013 0.000 1.984 123 A HA -0.070 4.250 4.320 0.001 0.000 0.214 123 A C 1.806 179.412 177.584 0.036 0.000 1.173 123 A CA 0.926 52.978 52.037 0.024 0.000 0.673 123 A CB -0.334 18.683 19.000 0.028 0.000 0.830 123 A HN 0.222 nan 8.150 nan 0.000 0.453 124 N N 0.769 119.487 118.700 0.029 0.000 2.039 124 N HA -0.101 4.639 4.740 0.001 0.000 0.193 124 N C 1.804 177.312 175.510 -0.003 0.000 1.044 124 N CA 2.012 55.084 53.050 0.037 0.000 0.847 124 N CB -0.347 38.140 38.487 -0.001 0.000 1.030 124 N HN 0.306 nan 8.380 nan 0.000 0.422 125 A N 0.389 123.197 122.820 -0.020 0.000 2.032 125 A HA -0.166 4.154 4.320 0.001 0.000 0.221 125 A C 2.182 179.772 177.584 0.011 0.000 1.165 125 A CA 1.357 53.393 52.037 -0.002 0.000 0.645 125 A CB -0.578 18.424 19.000 0.003 0.000 0.807 125 A HN 0.353 nan 8.150 nan 0.000 0.453 126 R N -1.083 119.426 120.500 0.015 0.000 2.115 126 R HA -0.035 4.305 4.340 0.001 0.000 0.230 126 R C 2.287 178.600 176.300 0.022 0.000 1.111 126 R CA 1.182 57.291 56.100 0.015 0.000 0.976 126 R CB -0.231 30.081 30.300 0.020 0.000 0.870 126 R HN 0.540 nan 8.270 nan 0.000 0.445 127 A N -0.766 122.088 122.820 0.056 0.000 1.997 127 A HA -0.086 4.234 4.320 0.001 0.000 0.212 127 A C 1.703 179.335 177.584 0.080 0.000 1.178 127 A CA 0.278 52.374 52.037 0.098 0.000 0.698 127 A CB -0.361 18.753 19.000 0.190 0.000 0.842 127 A HN 0.374 nan 8.150 nan 0.000 0.458 128 Y N 1.120 121.292 120.300 -0.213 0.000 2.352 128 Y HA -0.137 4.413 4.550 0.001 0.000 0.292 128 Y C 2.112 177.867 175.900 -0.242 0.000 1.136 128 Y CA 1.640 59.464 58.100 -0.460 0.000 1.227 128 Y CB -0.294 37.708 38.460 -0.765 0.000 0.991 128 Y HN 0.355 nan 8.280 nan 0.000 0.545 129 K N 0.577 120.860 120.400 -0.195 0.000 2.044 129 K HA -0.259 4.061 4.320 0.001 0.000 0.224 129 K C -0.696 175.729 176.600 -0.292 0.000 1.056 129 K CA 2.589 58.745 56.287 -0.219 0.000 0.962 129 K CB -1.344 31.093 32.500 -0.105 0.000 0.730 129 K HN 0.254 nan 8.250 nan 0.000 0.453 130 P HA -0.193 nan 4.420 nan 0.000 0.218 130 P C 0.842 177.989 177.300 -0.255 0.000 1.146 130 P CA 2.028 65.015 63.100 -0.189 0.000 0.813 130 P CB -0.039 31.590 31.700 -0.118 0.000 0.778 131 A N 0.219 122.781 122.820 -0.430 0.000 1.832 131 A HA -0.115 4.205 4.320 0.001 0.000 0.214 131 A C 2.267 179.538 177.584 -0.522 0.000 1.204 131 A CA 1.286 53.043 52.037 -0.466 0.000 0.606 131 A CB -1.666 16.877 19.000 -0.762 0.000 0.849 131 A HN 0.164 nan 8.150 nan 0.000 0.445 132 L N 0.313 121.011 121.223 -0.875 0.000 2.011 132 L HA -0.303 4.037 4.340 0.001 0.000 0.225 132 L C 2.215 178.841 176.870 -0.407 0.000 1.084 132 L CA 2.870 57.361 54.840 -0.582 0.000 0.791 132 L CB -0.855 40.955 42.059 -0.416 0.000 0.898 132 L HN 0.593 nan 8.230 nan 0.000 0.440 133 E N -0.850 119.162 120.200 -0.314 0.000 2.086 133 E HA -0.322 4.028 4.350 0.001 0.000 0.200 133 E C 2.095 178.560 176.600 -0.225 0.000 1.012 133 E CA 1.437 57.701 56.400 -0.228 0.000 0.812 133 E CB -0.370 29.232 29.700 -0.164 0.000 0.743 133 E HN 0.720 nan 8.360 nan 0.000 0.453 134 A N 0.478 123.180 122.820 -0.197 0.000 1.972 134 A HA -0.171 4.149 4.320 0.001 0.000 0.219 134 A C 2.048 179.456 177.584 -0.294 0.000 1.169 134 A CA 1.191 53.149 52.037 -0.133 0.000 0.635 134 A CB -0.362 18.671 19.000 0.055 0.000 0.810 134 A HN 0.191 nan 8.150 nan 0.000 0.446 135 I N -1.626 118.638 120.570 -0.511 0.000 2.628 135 I HA -0.106 4.065 4.170 0.001 0.000 0.255 135 I C 2.473 178.042 176.117 -0.912 0.000 1.119 135 I CA 1.227 61.960 61.300 -0.946 0.000 1.448 135 I CB -0.655 36.584 38.000 -1.269 0.000 1.133 135 I HN 0.174 nan 8.210 nan 0.000 0.438 136 T N 0.072 114.225 114.554 -0.668 0.000 2.635 136 T HA -0.240 4.110 4.350 0.001 0.000 0.267 136 T C 1.034 175.443 174.700 -0.485 0.000 1.040 136 T CA 1.238 62.995 62.100 -0.572 0.000 1.156 136 T CB -0.283 68.356 68.868 -0.381 0.000 0.863 136 T HN 0.277 nan 8.240 nan 0.000 0.430 137 E N 1.081 121.101 120.200 -0.300 0.000 1.893 137 E HA 0.159 4.510 4.350 0.001 0.000 0.269 137 E C -0.984 175.585 176.600 -0.052 0.000 1.129 137 E CA -0.489 55.852 56.400 -0.098 0.000 0.904 137 E CB -0.239 29.427 29.700 -0.056 0.000 1.077 137 E HN 0.332 nan 8.360 nan 0.000 0.407 138 F N 3.544 123.551 119.950 0.096 0.000 2.355 138 F HA -0.162 4.365 4.527 0.001 0.000 0.365 138 F C 1.577 177.428 175.800 0.087 0.000 1.075 138 F CA 0.194 58.292 58.000 0.163 0.000 0.959 138 F CB -0.070 39.021 39.000 0.150 0.000 0.913 138 F HN 0.338 nan 8.300 nan 0.000 0.539 139 V N -0.950 119.065 119.914 0.168 0.000 2.908 139 V HA 0.188 4.308 4.120 0.001 0.000 0.240 139 V C 0.745 176.913 176.094 0.124 0.000 1.117 139 V CA 0.835 63.203 62.300 0.115 0.000 1.133 139 V CB 0.129 31.986 31.823 0.058 0.000 0.857 139 V HN 0.541 nan 8.190 nan 0.000 0.478 140 T N 1.282 115.909 114.554 0.122 0.000 2.940 140 T HA 0.488 4.838 4.350 0.001 0.000 0.288 140 T C -0.461 174.362 174.700 0.206 0.000 1.045 140 T CA -0.531 61.638 62.100 0.114 0.000 1.018 140 T CB 1.363 70.253 68.868 0.037 0.000 1.151 140 T HN 0.576 nan 8.240 nan 0.000 0.529 141 N N 1.845 120.627 118.700 0.138 0.000 2.401 141 N HA 0.161 4.901 4.740 0.001 0.000 0.255 141 N C -0.448 175.142 175.510 0.134 0.000 1.110 141 N CA -0.759 52.356 53.050 0.108 0.000 0.949 141 N CB 0.584 39.094 38.487 0.038 0.000 1.110 141 N HN 0.894 nan 8.380 nan 0.000 0.490 142 W N 1.283 122.578 121.300 -0.008 0.000 2.820 142 W HA 0.723 5.384 4.660 0.001 0.000 0.350 142 W C -1.179 175.352 176.519 0.020 0.000 1.116 142 W CA -0.880 56.429 57.345 -0.060 0.000 1.146 142 W CB 0.507 29.860 29.460 -0.179 0.000 1.433 142 W HN 0.237 nan 8.180 nan 0.000 0.561 143 T N 1.332 116.019 114.554 0.222 0.000 2.681 143 T HA 0.618 4.968 4.350 0.001 0.000 0.296 143 T C -1.126 173.728 174.700 0.258 0.000 1.157 143 T CA -0.760 61.394 62.100 0.090 0.000 1.025 143 T CB 2.108 70.998 68.868 0.037 0.000 1.441 143 T HN 0.374 nan 8.240 nan 0.000 0.504 144 I N 1.710 122.400 120.570 0.200 0.000 2.586 144 I HA 0.355 4.525 4.170 0.001 0.000 0.281 144 I C -1.083 175.161 176.117 0.212 0.000 1.145 144 I CA -0.631 60.806 61.300 0.229 0.000 1.073 144 I CB 1.639 39.802 38.000 0.271 0.000 1.238 144 I HN 0.249 nan 8.210 nan 0.000 0.461 145 V N 7.833 127.879 119.914 0.221 0.000 2.713 145 V HA 0.660 4.781 4.120 0.001 0.000 0.307 145 V C -2.373 173.860 176.094 0.231 0.000 1.052 145 V CA -1.480 60.977 62.300 0.262 0.000 0.967 145 V CB 2.163 34.187 31.823 0.334 0.000 1.019 145 V HN 0.522 nan 8.190 nan 0.000 0.459 146 P HA 0.561 nan 4.420 nan 0.000 0.319 146 P C -1.639 175.563 177.300 -0.162 0.000 1.523 146 P CA -0.578 62.494 63.100 -0.046 0.000 1.207 146 P CB 2.383 34.009 31.700 -0.123 0.000 1.493 147 F N 1.998 121.677 119.950 -0.451 0.000 2.613 147 F HA 0.672 5.199 4.527 0.001 0.000 0.314 147 F C 0.141 175.726 175.800 -0.359 0.000 1.075 147 F CA -0.375 57.329 58.000 -0.494 0.000 0.945 147 F CB 2.097 40.546 39.000 -0.919 0.000 1.310 147 F HN 0.583 nan 8.300 nan 0.000 0.467 148 A N 2.303 124.811 122.820 -0.520 0.000 2.749 148 A HA 0.163 4.483 4.320 0.001 0.000 0.279 148 A C -1.010 176.650 177.584 0.127 0.000 1.470 148 A CA 1.506 53.494 52.037 -0.082 0.000 1.404 148 A CB -0.580 18.450 19.000 0.049 0.000 1.152 148 A HN 1.299 nan 8.150 nan 0.000 0.551 149 H N -1.706 117.388 119.070 0.040 0.000 3.069 149 H HA 0.359 4.916 4.556 0.001 0.000 0.294 149 H C -2.860 172.512 175.328 0.073 0.000 1.144 149 H CA -0.573 55.482 56.048 0.012 0.000 1.579 149 H CB 0.880 30.564 29.762 -0.130 0.000 2.174 149 H HN 0.217 nan 8.280 nan 0.000 0.456 150 P HA 0.106 nan 4.420 nan 0.000 0.261 150 P C 0.679 177.825 177.300 -0.256 0.000 1.297 150 P CA 1.559 64.513 63.100 -0.243 0.000 0.757 150 P CB 0.060 31.622 31.700 -0.231 0.000 1.149 151 G N -3.917 104.727 108.800 -0.261 0.000 3.441 151 G HA2 0.021 3.981 3.960 0.001 0.000 0.263 151 G HA3 0.021 3.981 3.960 0.001 0.000 0.263 151 G C 0.436 175.490 174.900 0.256 0.000 1.014 151 G CA -0.095 45.008 45.100 0.006 0.000 0.833 151 G HN 0.173 nan 8.290 nan 0.000 0.514 152 W N 0.228 121.548 121.300 0.033 0.000 3.875 152 W HA 0.434 5.095 4.660 0.000 0.000 0.221 152 W C 2.324 178.895 176.519 0.087 0.000 0.947 152 W CA 0.928 58.328 57.345 0.092 0.000 2.039 152 W CB -0.088 29.465 29.460 0.155 0.000 0.954 152 W HN 0.081 nan 8.180 nan 0.000 0.792 153 A N 0.287 123.310 122.820 0.337 0.000 2.070 153 A HA -0.140 4.181 4.320 0.001 0.000 0.220 153 A C 1.914 179.576 177.584 0.131 0.000 1.159 153 A CA 1.549 53.712 52.037 0.210 0.000 0.656 153 A CB -0.570 18.469 19.000 0.064 0.000 0.800 153 A HN 0.284 nan 8.150 nan 0.000 0.453 154 R N -1.397 119.145 120.500 0.070 0.000 2.297 154 R HA 0.203 4.543 4.340 0.001 0.000 0.197 154 R C 1.651 177.932 176.300 -0.032 0.000 0.943 154 R CA 0.778 56.880 56.100 0.002 0.000 1.038 154 R CB -0.010 30.263 30.300 -0.045 0.000 0.957 154 R HN 0.500 nan 8.270 nan 0.000 0.484 155 A N -0.780 122.014 122.820 -0.043 0.000 2.026 155 A HA 0.105 4.426 4.320 0.001 0.000 0.201 155 A C 1.816 179.417 177.584 0.029 0.000 1.318 155 A CA -0.105 51.838 52.037 -0.157 0.000 0.857 155 A CB 0.139 18.728 19.000 -0.685 0.000 0.939 155 A HN 0.078 nan 8.150 nan 0.000 0.476 156 V N -0.358 119.548 119.914 -0.012 0.000 2.261 156 V HA -0.081 4.039 4.120 0.001 0.000 0.246 156 V C 0.533 176.392 176.094 -0.392 0.000 1.047 156 V CA 1.284 63.399 62.300 -0.308 0.000 1.015 156 V CB -0.673 30.839 31.823 -0.518 0.000 0.642 156 V HN 0.431 nan 8.190 nan 0.000 0.446 157 F N -0.147 119.735 119.950 -0.114 0.000 2.426 157 F HA 0.450 4.977 4.527 0.001 0.000 0.348 157 F C -2.198 173.558 175.800 -0.073 0.000 1.124 157 F CA -2.343 55.602 58.000 -0.092 0.000 1.008 157 F CB 0.978 39.923 39.000 -0.092 0.000 1.139 157 F HN -0.033 nan 8.300 nan 0.000 0.452 158 P HA 0.130 nan 4.420 nan 0.000 0.249 158 P C 0.543 177.866 177.300 0.039 0.000 1.583 158 P CA 0.003 63.126 63.100 0.039 0.000 0.988 158 P CB 0.375 32.079 31.700 0.007 0.000 1.530 159 G N 0.644 109.488 108.800 0.074 0.000 2.821 159 G HA2 0.068 4.029 3.960 0.001 0.000 0.289 159 G HA3 0.068 4.029 3.960 0.001 0.000 0.289 159 G C 0.954 175.840 174.900 -0.024 0.000 0.771 159 G CA -0.207 44.906 45.100 0.023 0.000 1.908 159 G HN 0.169 nan 8.290 nan 0.000 0.539 160 L N 1.679 122.889 121.223 -0.021 0.000 2.434 160 L HA -0.218 4.123 4.340 0.001 0.000 0.244 160 L C -0.753 176.085 176.870 -0.053 0.000 1.169 160 L CA 1.543 56.363 54.840 -0.033 0.000 0.804 160 L CB -1.674 40.367 42.059 -0.030 0.000 1.020 160 L HN 0.342 nan 8.230 nan 0.000 0.414 161 P HA -0.150 nan 4.420 nan 0.000 0.243 161 P C 0.242 177.473 177.300 -0.115 0.000 1.107 161 P CA 1.022 64.066 63.100 -0.093 0.000 0.848 161 P CB 0.265 31.897 31.700 -0.113 0.000 0.771 162 E N 3.312 123.456 120.200 -0.095 0.000 2.072 162 E HA -0.220 4.130 4.350 0.001 0.000 0.190 162 E C 1.630 178.149 176.600 -0.134 0.000 0.982 162 E CA 0.691 57.032 56.400 -0.099 0.000 0.803 162 E CB 0.016 29.673 29.700 -0.073 0.000 0.755 162 E HN 0.513 nan 8.360 nan 0.000 0.453 163 E N 0.436 120.563 120.200 -0.122 0.000 2.130 163 E HA -0.273 4.078 4.350 0.001 0.000 0.196 163 E C 1.808 178.247 176.600 -0.267 0.000 0.998 163 E CA 1.464 57.778 56.400 -0.143 0.000 0.806 163 E CB 0.029 29.674 29.700 -0.092 0.000 0.738 163 E HN 0.297 nan 8.360 nan 0.000 0.459 164 E N -1.057 118.985 120.200 -0.264 0.000 2.400 164 E HA 0.039 4.389 4.350 0.001 0.000 0.195 164 E C 1.699 178.029 176.600 -0.450 0.000 1.012 164 E CA 0.511 56.695 56.400 -0.360 0.000 0.875 164 E CB 0.126 29.676 29.700 -0.250 0.000 0.859 164 E HN 0.323 nan 8.360 nan 0.000 0.498 165 A N 0.470 123.078 122.820 -0.353 0.000 1.855 165 A HA -0.127 4.193 4.320 0.001 0.000 0.215 165 A C 2.301 179.620 177.584 -0.442 0.000 1.191 165 A CA 1.283 53.096 52.037 -0.374 0.000 0.613 165 A CB -0.750 18.155 19.000 -0.158 0.000 0.829 165 A HN 0.189 nan 8.150 nan 0.000 0.442 166 V N -0.058 119.636 119.914 -0.366 0.000 2.287 166 V HA -0.306 3.814 4.120 0.001 0.000 0.248 166 V C 2.585 178.134 176.094 -0.909 0.000 1.053 166 V CA 2.374 64.452 62.300 -0.370 0.000 1.027 166 V CB -0.826 30.874 31.823 -0.205 0.000 0.646 166 V HN 0.565 nan 8.190 nan 0.000 0.447 167 R N -0.963 118.739 120.500 -1.329 0.000 2.204 167 R HA -0.260 4.081 4.340 0.001 0.000 0.253 167 R C 2.421 177.971 176.300 -1.251 0.000 1.172 167 R CA 1.945 56.849 56.100 -1.993 0.000 0.994 167 R CB -0.145 29.551 30.300 -1.007 0.000 0.874 167 R HN 0.331 nan 8.270 nan 0.000 0.462 168 R N -0.291 119.728 120.500 -0.802 0.000 2.051 168 R HA 0.013 4.353 4.340 0.001 0.000 0.218 168 R C 1.969 178.133 176.300 -0.228 0.000 1.188 168 R CA 0.669 56.445 56.100 -0.540 0.000 0.992 168 R CB -0.827 28.823 30.300 -1.083 0.000 0.883 168 R HN 0.100 nan 8.270 nan 0.000 0.444 169 L N 1.195 122.284 121.223 -0.223 0.000 2.021 169 L HA -0.186 4.155 4.340 0.001 0.000 0.215 169 L C 1.857 178.764 176.870 0.061 0.000 1.074 169 L CA 2.167 57.096 54.840 0.149 0.000 0.760 169 L CB -1.200 40.984 42.059 0.210 0.000 0.889 169 L HN 0.558 nan 8.230 nan 0.000 0.433 170 W N 0.258 121.392 121.300 -0.277 0.000 2.331 170 W HA -0.199 4.461 4.660 0.001 0.000 0.291 170 W C 2.074 178.338 176.519 -0.425 0.000 1.214 170 W CA 1.428 58.428 57.345 -0.575 0.000 1.228 170 W CB -1.561 27.833 29.460 -0.110 0.000 1.135 170 W HN 0.401 nan 8.180 nan 0.000 0.537 171 E N 0.190 120.759 120.200 0.616 0.000 2.216 171 E HA 0.049 4.399 4.350 0.001 0.000 0.192 171 E C 2.454 179.266 176.600 0.353 0.000 0.988 171 E CA 1.087 57.853 56.400 0.610 0.000 0.834 171 E CB -0.206 29.827 29.700 0.554 0.000 0.772 171 E HN 0.230 nan 8.360 nan 0.000 0.479 172 A N 0.812 123.791 122.820 0.266 0.000 1.930 172 A HA -0.149 4.172 4.320 0.001 0.000 0.217 172 A C 2.055 179.769 177.584 0.216 0.000 1.175 172 A CA 0.992 53.195 52.037 0.278 0.000 0.627 172 A CB -0.512 18.721 19.000 0.388 0.000 0.815 172 A HN 0.265 nan 8.150 nan 0.000 0.443 173 I N -1.613 119.022 120.570 0.109 0.000 2.394 173 I HA -0.197 3.973 4.170 0.001 0.000 0.251 173 I C 1.690 177.863 176.117 0.094 0.000 1.136 173 I CA 0.964 62.321 61.300 0.095 0.000 1.425 173 I CB -0.429 37.505 38.000 -0.111 0.000 1.079 173 I HN 0.222 nan 8.210 nan 0.000 0.425 174 F N 0.969 121.074 119.950 0.257 0.000 2.546 174 F HA -0.103 4.425 4.527 0.001 0.000 0.298 174 F C 2.473 178.393 175.800 0.201 0.000 1.120 174 F CA 0.933 59.075 58.000 0.237 0.000 1.456 174 F CB -0.623 38.513 39.000 0.227 0.000 1.088 174 F HN 0.148 nan 8.300 nan 0.000 0.572 175 Q N -0.796 119.195 119.800 0.317 0.000 2.388 175 Q HA 0.140 4.480 4.340 0.001 0.000 0.204 175 Q C 2.514 178.613 176.000 0.165 0.000 0.946 175 Q CA 0.721 56.657 55.803 0.221 0.000 0.880 175 Q CB -0.262 28.584 28.738 0.179 0.000 0.997 175 Q HN 0.286 nan 8.270 nan 0.000 0.552 176 A N 1.284 124.178 122.820 0.122 0.000 1.978 176 A HA -0.116 4.205 4.320 0.001 0.000 0.220 176 A C 1.590 179.249 177.584 0.125 0.000 1.170 176 A CA 1.645 53.693 52.037 0.019 0.000 0.636 176 A CB -0.853 18.043 19.000 -0.173 0.000 0.810 176 A HN 0.513 nan 8.150 nan 0.000 0.448 185 I N -1.680 118.984 120.570 0.157 0.000 5.347 185 I HA 0.287 4.457 4.170 0.001 0.000 0.346 185 I C 1.760 177.987 176.117 0.184 0.000 1.177 185 I CA 0.657 62.047 61.300 0.151 0.000 1.553 185 I CB -0.886 37.158 38.000 0.074 0.000 1.757 185 I HN -0.062 nan 8.210 nan 0.000 0.603 186 A N 0.941 123.845 122.820 0.139 0.000 2.167 186 A HA 0.547 4.867 4.320 0.001 0.000 0.214 186 A C 2.195 179.850 177.584 0.118 0.000 1.151 186 A CA 1.412 53.516 52.037 0.111 0.000 0.735 186 A CB -0.454 18.590 19.000 0.074 0.000 0.802 186 A HN 0.381 nan 8.150 nan 0.000 0.467 187 A N -2.037 120.876 122.820 0.155 0.000 1.997 187 A HA 0.141 4.462 4.320 0.001 0.000 0.212 187 A C 1.731 179.378 177.584 0.105 0.000 1.178 187 A CA 0.488 52.583 52.037 0.097 0.000 0.698 187 A CB -0.538 18.511 19.000 0.080 0.000 0.842 187 A HN 0.633 nan 8.150 nan 0.000 0.458 188 W N 0.395 121.746 121.300 0.085 0.000 2.518 188 W HA 0.092 4.752 4.660 0.000 0.000 0.273 188 W C 2.146 178.736 176.519 0.118 0.000 1.247 188 W CA 1.232 58.658 57.345 0.135 0.000 1.288 188 W CB 0.204 29.730 29.460 0.109 0.000 1.107 188 W HN 0.511 nan 8.180 nan 0.000 0.586 189 E N 0.007 120.381 120.200 0.290 0.000 2.072 189 E HA -0.125 4.225 4.350 0.001 0.000 0.190 189 E C 1.985 178.661 176.600 0.127 0.000 0.982 189 E CA 1.354 57.865 56.400 0.184 0.000 0.803 189 E CB -0.180 29.598 29.700 0.130 0.000 0.755 189 E HN 0.074 nan 8.360 nan 0.000 0.453 190 A N -0.484 122.400 122.820 0.106 0.000 2.302 190 A HA -0.013 4.307 4.320 0.001 0.000 0.219 190 A C 1.481 179.113 177.584 0.080 0.000 1.243 190 A CA 0.256 52.333 52.037 0.066 0.000 0.856 190 A CB -0.455 18.569 19.000 0.040 0.000 0.893 190 A HN 0.448 nan 8.150 nan 0.000 0.491 191 H N -0.934 118.102 119.070 -0.057 0.000 2.545 191 H HA 0.077 4.633 4.556 0.001 0.000 0.283 191 H C 1.513 176.783 175.328 -0.098 0.000 0.997 191 H CA 0.649 56.608 56.048 -0.149 0.000 1.269 191 H CB 0.409 29.957 29.762 -0.355 0.000 1.451 191 H HN 0.535 nan 8.280 nan 0.000 0.508 192 N N 0.202 118.884 118.700 -0.030 0.000 2.396 192 N HA -0.053 4.687 4.740 0.001 0.000 0.180 192 N C 1.831 177.385 175.510 0.074 0.000 1.028 192 N CA 0.652 53.692 53.050 -0.016 0.000 0.893 192 N CB 0.147 38.720 38.487 0.143 0.000 0.967 192 N HN 0.267 nan 8.380 nan 0.000 0.440 193 R N 0.308 120.839 120.500 0.053 0.000 2.062 193 R HA 0.150 4.490 4.340 0.001 0.000 0.226 193 R C 2.117 178.413 176.300 -0.007 0.000 1.125 193 R CA 1.044 57.170 56.100 0.043 0.000 0.966 193 R CB -0.246 30.066 30.300 0.019 0.000 0.861 193 R HN 0.149 nan 8.270 nan 0.000 0.433 194 A N 0.904 123.705 122.820 -0.032 0.000 2.076 194 A HA -0.122 4.199 4.320 0.001 0.000 0.220 194 A C 1.960 179.456 177.584 -0.147 0.000 1.160 194 A CA 1.183 53.174 52.037 -0.076 0.000 0.653 194 A CB -0.339 18.651 19.000 -0.017 0.000 0.801 194 A HN 0.177 nan 8.150 nan 0.000 0.455 195 L N -2.527 118.598 121.223 -0.163 0.000 2.187 195 L HA 0.011 4.351 4.340 0.001 0.000 0.197 195 L C 2.383 179.134 176.870 -0.198 0.000 1.090 195 L CA 0.594 55.298 54.840 -0.227 0.000 0.781 195 L CB -0.711 41.156 42.059 -0.320 0.000 0.956 195 L HN 0.389 nan 8.230 nan 0.000 0.463 196 H N 0.528 119.524 119.070 -0.123 0.000 2.496 196 H HA -0.197 4.359 4.556 0.001 0.000 0.296 196 H C 1.966 177.233 175.328 -0.101 0.000 1.107 196 H CA 1.441 57.434 56.048 -0.093 0.000 1.263 196 H CB 0.141 29.860 29.762 -0.071 0.000 1.369 196 H HN 0.483 nan 8.280 nan 0.000 0.541 197 E N 0.428 120.605 120.200 -0.038 0.000 2.033 197 E HA -0.111 4.239 4.350 0.001 0.000 0.189 197 E C 2.227 178.735 176.600 -0.154 0.000 0.979 197 E CA 0.524 56.869 56.400 -0.091 0.000 0.802 197 E CB 0.136 29.755 29.700 -0.135 0.000 0.763 197 E HN 0.152 nan 8.360 nan 0.000 0.449 198 K N 0.571 120.807 120.400 -0.274 0.000 2.103 198 K HA -0.111 4.209 4.320 0.001 0.000 0.207 198 K C 1.972 178.433 176.600 -0.231 0.000 1.048 198 K CA 0.716 56.775 56.287 -0.380 0.000 0.930 198 K CB -0.370 31.749 32.500 -0.634 0.000 0.716 198 K HN -0.030 nan 8.250 nan 0.000 0.444 199 V N 0.394 120.206 119.914 -0.170 0.000 2.720 199 V HA -0.198 3.923 4.120 0.001 0.000 0.256 199 V C 2.081 178.148 176.094 -0.044 0.000 1.082 199 V CA 1.777 64.017 62.300 -0.101 0.000 1.101 199 V CB -0.784 30.983 31.823 -0.094 0.000 0.693 199 V HN 0.322 nan 8.190 nan 0.000 0.479 200 A N -0.794 122.012 122.820 -0.022 0.000 1.898 200 A HA -0.121 4.199 4.320 0.001 0.000 0.214 200 A C 2.115 179.714 177.584 0.025 0.000 1.183 200 A CA 1.267 53.315 52.037 0.017 0.000 0.622 200 A CB -0.646 18.368 19.000 0.024 0.000 0.824 200 A HN 0.508 nan 8.150 nan 0.000 0.444 201 Y N 1.046 121.260 120.300 -0.143 0.000 2.014 201 Y HA -0.243 4.308 4.550 0.001 0.000 0.270 201 Y C 2.025 177.844 175.900 -0.135 0.000 1.145 201 Y CA 2.022 60.041 58.100 -0.136 0.000 1.106 201 Y CB -0.751 37.592 38.460 -0.196 0.000 0.968 201 Y HN 0.204 nan 8.280 nan 0.000 0.484 202 L N 0.435 121.479 121.223 -0.298 0.000 2.197 202 L HA -0.330 4.010 4.340 0.001 0.000 0.215 202 L C 2.107 178.796 176.870 -0.302 0.000 1.095 202 L CA 1.549 56.009 54.840 -0.632 0.000 0.764 202 L CB -0.689 40.438 42.059 -1.554 0.000 0.897 202 L HN 0.410 nan 8.230 nan 0.000 0.436 203 N N -0.287 118.366 118.700 -0.079 0.000 2.290 203 N HA -0.015 4.726 4.740 0.001 0.000 0.179 203 N C 1.902 177.457 175.510 0.076 0.000 1.016 203 N CA 1.236 54.376 53.050 0.150 0.000 0.871 203 N CB 0.104 38.675 38.487 0.140 0.000 0.987 203 N HN 0.297 nan 8.380 nan 0.000 0.431 204 A N 1.849 124.657 122.820 -0.021 0.000 1.854 204 A HA -0.026 4.294 4.320 0.001 0.000 0.214 204 A C 2.089 179.602 177.584 -0.118 0.000 1.192 204 A CA 0.831 52.838 52.037 -0.049 0.000 0.611 204 A CB -0.234 18.742 19.000 -0.041 0.000 0.832 204 A HN 0.057 nan 8.150 nan 0.000 0.442 205 R N -1.226 119.120 120.500 -0.256 0.000 2.211 205 R HA -0.118 4.222 4.340 0.001 0.000 0.240 205 R C 0.603 176.646 176.300 -0.429 0.000 1.144 205 R CA 1.028 56.858 56.100 -0.450 0.000 0.992 205 R CB -0.950 28.875 30.300 -0.792 0.000 0.869 205 R HN 0.496 nan 8.270 nan 0.000 0.462 206 R N 0.401 120.834 120.500 -0.113 0.000 3.127 206 R HA -0.185 4.156 4.340 0.001 0.000 0.247 206 R C -0.990 175.300 176.300 -0.017 0.000 0.896 206 R CA 0.093 56.218 56.100 0.043 0.000 0.624 206 R CB -2.247 28.026 30.300 -0.044 0.000 1.154 206 R HN 0.000 nan 8.270 nan 0.000 0.474 207 F N -0.088 119.881 119.950 0.032 0.000 2.527 207 F HA 0.137 4.665 4.527 0.001 0.000 0.316 207 F C 2.165 178.060 175.800 0.158 0.000 1.258 207 F CA 0.956 58.917 58.000 -0.064 0.000 1.314 207 F CB 0.203 39.154 39.000 -0.082 0.000 1.200 207 F HN 0.451 nan 8.300 nan 0.000 0.577 208 H N -0.380 118.809 119.070 0.199 0.000 2.885 208 H HA 0.638 5.195 4.556 0.001 0.000 0.260 208 H C -0.714 174.693 175.328 0.132 0.000 0.985 208 H CA 0.544 56.676 56.048 0.139 0.000 1.210 208 H CB 0.554 30.361 29.762 0.076 0.000 1.466 208 H HN 0.549 nan 8.280 nan 0.000 0.493 209 A N -0.020 122.852 122.820 0.087 0.000 2.550 209 A HA 0.435 4.755 4.320 0.001 0.000 0.295 209 A C -1.859 175.734 177.584 0.016 0.000 1.001 209 A CA -0.750 51.268 52.037 -0.031 0.000 0.660 209 A CB 0.135 19.050 19.000 -0.141 0.000 1.308 209 A HN 0.135 nan 8.150 nan 0.000 0.426 210 L N 1.713 122.913 121.223 -0.040 0.000 2.334 210 L HA 0.617 4.958 4.340 0.001 0.000 0.270 210 L C 0.150 176.996 176.870 -0.039 0.000 1.018 210 L CA -0.702 54.053 54.840 -0.141 0.000 0.811 210 L CB 1.733 43.632 42.059 -0.266 0.000 1.271 210 L HN 0.881 nan 8.230 nan 0.000 0.443 211 H N 1.868 120.775 119.070 -0.271 0.000 3.092 211 H HA 0.340 4.896 4.556 0.001 0.000 0.308 211 H C -1.575 173.622 175.328 -0.218 0.000 1.047 211 H CA -0.627 55.345 56.048 -0.127 0.000 1.466 211 H CB 0.891 30.624 29.762 -0.047 0.000 1.597 211 H HN 0.307 nan 8.280 nan 0.000 0.512 212 F N 3.716 123.468 119.950 -0.330 0.000 2.396 212 F HA 0.338 4.865 4.527 0.001 0.000 0.343 212 F C 0.494 176.021 175.800 -0.455 0.000 1.104 212 F CA -0.250 57.555 58.000 -0.326 0.000 1.161 212 F CB 1.107 39.968 39.000 -0.231 0.000 1.146 212 F HN 0.349 nan 8.300 nan 0.000 0.522 213 K N 1.755 122.046 120.400 -0.183 0.000 2.513 213 K HA 0.750 5.071 4.320 0.001 0.000 0.251 213 K C -0.671 175.891 176.600 -0.063 0.000 0.939 213 K CA -0.518 55.672 56.287 -0.161 0.000 0.793 213 K CB 2.042 34.431 32.500 -0.185 0.000 1.241 213 K HN 0.868 nan 8.250 nan 0.000 0.431 214 G N 2.177 110.956 108.800 -0.035 0.000 2.494 214 G HA2 0.349 4.309 3.960 0.001 0.000 0.308 214 G HA3 0.349 4.309 3.960 0.001 0.000 0.308 214 G C -2.993 171.898 174.900 -0.015 0.000 1.263 214 G CA -0.773 44.313 45.100 -0.023 0.000 0.840 214 G HN 0.424 nan 8.290 nan 0.000 0.479 215 P HA 0.306 nan 4.420 nan 0.000 0.269 215 P C 0.882 178.174 177.300 -0.014 0.000 1.263 215 P CA 1.408 64.499 63.100 -0.015 0.000 0.813 215 P CB 0.552 32.242 31.700 -0.016 0.000 0.868 216 G N 2.757 111.548 108.800 -0.015 0.000 2.179 216 G HA2 -0.185 3.775 3.960 0.001 0.000 0.260 216 G HA3 -0.185 3.775 3.960 0.001 0.000 0.260 216 G C 0.107 175.010 174.900 0.006 0.000 0.977 216 G CA 0.164 45.252 45.100 -0.020 0.000 0.641 216 G HN 0.621 nan 8.290 nan 0.000 0.533 217 T N 0.340 114.899 114.554 0.009 0.000 2.863 217 T HA 0.614 4.964 4.350 0.001 0.000 0.285 217 T C -1.165 173.542 174.700 0.013 0.000 1.009 217 T CA -0.180 61.933 62.100 0.021 0.000 0.989 217 T CB 2.348 71.213 68.868 -0.005 0.000 1.004 217 T HN 0.169 nan 8.240 nan 0.000 0.455 218 D N 2.561 122.984 120.400 0.039 0.000 2.634 218 D HA 0.212 4.852 4.640 0.001 0.000 0.236 218 D C -1.655 174.703 176.300 0.096 0.000 1.323 218 D CA -0.331 53.692 54.000 0.037 0.000 0.884 218 D CB 0.796 41.647 40.800 0.085 0.000 1.496 218 D HN 0.275 nan 8.370 nan 0.000 0.525 219 L N 2.274 123.541 121.223 0.074 0.000 2.346 219 L HA 0.560 4.900 4.340 0.001 0.000 0.276 219 L C -1.156 175.840 176.870 0.210 0.000 1.006 219 L CA -0.692 54.225 54.840 0.127 0.000 0.817 219 L CB 2.076 44.150 42.059 0.024 0.000 1.272 219 L HN 0.032 nan 8.230 nan 0.000 0.421 220 V N 6.002 126.030 119.914 0.192 0.000 2.239 220 V HA 0.246 4.366 4.120 0.001 0.000 0.267 220 V C -0.258 175.875 176.094 0.065 0.000 1.056 220 V CA -0.598 61.816 62.300 0.190 0.000 0.830 220 V CB 1.193 33.109 31.823 0.156 0.000 1.090 220 V HN 0.509 nan 8.190 nan 0.000 0.459 221 V N 5.036 124.995 119.914 0.075 0.000 2.381 221 V HA 0.301 4.421 4.120 0.001 0.000 0.257 221 V C 1.401 177.464 176.094 -0.053 0.000 1.057 221 V CA 0.221 62.502 62.300 -0.031 0.000 1.013 221 V CB 0.390 32.228 31.823 0.026 0.000 1.069 221 V HN 0.792 nan 8.190 nan 0.000 0.484 222 G N 4.948 113.692 108.800 -0.093 0.000 2.712 222 G HA2 0.443 4.403 3.960 0.001 0.000 0.258 222 G HA3 0.443 4.403 3.960 0.001 0.000 0.258 222 G C -0.536 174.297 174.900 -0.111 0.000 1.241 222 G CA -0.445 44.561 45.100 -0.156 0.000 0.923 222 G HN 0.566 nan 8.290 nan 0.000 0.548 223 L N -0.500 120.660 121.223 -0.104 0.000 2.388 223 L HA 0.595 4.935 4.340 0.001 0.000 0.264 223 L C 0.677 177.613 176.870 0.109 0.000 0.998 223 L CA -1.177 53.649 54.840 -0.024 0.000 0.817 223 L CB 2.085 44.120 42.059 -0.041 0.000 1.338 223 L HN 0.711 nan 8.230 nan 0.000 0.414 224 A N 1.359 124.259 122.820 0.134 0.000 2.448 224 A HA 0.139 4.460 4.320 0.001 0.000 0.239 224 A C 0.090 177.779 177.584 0.175 0.000 1.080 224 A CA -0.014 52.139 52.037 0.194 0.000 0.779 224 A CB 0.134 19.175 19.000 0.068 0.000 1.026 224 A HN 0.767 nan 8.150 nan 0.000 0.499 225 E N -0.135 120.122 120.200 0.096 0.000 2.316 225 E HA 0.360 4.710 4.350 0.001 0.000 0.275 225 E C 1.060 177.632 176.600 -0.048 0.000 1.029 225 E CA 0.885 57.290 56.400 0.008 0.000 0.871 225 E CB 0.383 30.085 29.700 0.003 0.000 1.022 225 E HN 1.254 nan 8.360 nan 0.000 0.418 226 G N 3.682 112.388 108.800 -0.157 0.000 2.283 226 G HA2 -0.297 3.664 3.960 0.001 0.000 0.280 226 G HA3 -0.297 3.664 3.960 0.001 0.000 0.280 226 G C 0.039 174.858 174.900 -0.134 0.000 1.029 226 G CA 0.990 45.989 45.100 -0.169 0.000 0.840 226 G HN 0.828 nan 8.290 nan 0.000 0.505 227 H N -1.664 117.416 119.070 0.017 0.000 2.767 227 H HA 0.621 5.178 4.556 0.001 0.000 0.380 227 H C 0.269 175.603 175.328 0.010 0.000 1.409 227 H CA -0.442 55.593 56.048 -0.021 0.000 1.463 227 H CB 0.693 30.414 29.762 -0.068 0.000 1.514 227 H HN 0.712 nan 8.280 nan 0.000 0.619 228 L N 0.842 122.206 121.223 0.234 0.000 2.562 228 L HA 0.297 4.638 4.340 0.001 0.000 0.266 228 L C -1.840 175.068 176.870 0.063 0.000 0.949 228 L CA -0.733 54.230 54.840 0.206 0.000 0.879 228 L CB 0.928 43.062 42.059 0.124 0.000 1.278 228 L HN 0.675 nan 8.230 nan 0.000 0.404 229 W N 4.527 125.836 121.300 0.016 0.000 2.266 229 W HA 0.441 5.101 4.660 0.001 0.000 0.317 229 W C 0.246 176.636 176.519 -0.215 0.000 1.310 229 W CA 0.081 57.355 57.345 -0.118 0.000 1.207 229 W CB 0.864 30.270 29.460 -0.091 0.000 1.199 229 W HN 0.396 nan 8.180 nan 0.000 0.544 230 Q N 1.472 121.108 119.800 -0.274 0.000 2.297 230 Q HA 0.796 5.136 4.340 0.001 0.000 0.269 230 Q C -0.073 175.638 176.000 -0.482 0.000 1.051 230 Q CA -0.796 54.749 55.803 -0.429 0.000 0.869 230 Q CB 2.222 30.579 28.738 -0.635 0.000 1.346 230 Q HN 0.712 nan 8.270 nan 0.000 0.457 231 G N -1.075 107.535 108.800 -0.316 0.000 2.341 231 G HA2 0.443 4.403 3.960 0.001 0.000 0.300 231 G HA3 0.443 4.403 3.960 0.001 0.000 0.300 231 G C -0.151 174.578 174.900 -0.285 0.000 1.706 231 G CA 0.551 45.528 45.100 -0.205 0.000 0.916 231 G HN 0.848 nan 8.290 nan 0.000 0.716 232 G N 0.381 109.082 108.800 -0.166 0.000 2.509 232 G HA2 0.357 4.318 3.960 0.001 0.000 0.256 232 G HA3 0.357 4.318 3.960 0.001 0.000 0.256 232 G C 0.812 175.661 174.900 -0.085 0.000 1.152 232 G CA 1.015 45.998 45.100 -0.196 0.000 0.951 232 G HN 2.510 nan 8.290 nan 0.000 0.559 233 A N 0.045 122.859 122.820 -0.010 0.000 2.401 233 A HA 0.696 5.016 4.320 0.001 0.000 0.259 233 A C 0.629 178.244 177.584 0.052 0.000 1.103 233 A CA 1.381 53.473 52.037 0.093 0.000 0.789 233 A CB 0.335 19.453 19.000 0.197 0.000 1.035 233 A HN 1.413 nan 8.150 nan 0.000 0.491 234 T N 1.333 115.835 114.554 -0.086 0.000 2.943 234 T HA 0.616 4.967 4.350 0.001 0.000 0.284 234 T C 0.300 174.906 174.700 -0.158 0.000 1.015 234 T CA 0.246 62.227 62.100 -0.197 0.000 1.042 234 T CB 1.572 70.137 68.868 -0.506 0.000 1.055 234 T HN 1.038 nan 8.240 nan 0.000 0.500 235 A N 1.615 124.340 122.820 -0.158 0.000 2.301 235 A HA 0.585 4.905 4.320 0.001 0.000 0.298 235 A C 0.211 177.727 177.584 -0.113 0.000 1.185 235 A CA -0.532 51.443 52.037 -0.104 0.000 0.830 235 A CB 0.124 19.085 19.000 -0.065 0.000 1.112 235 A HN 0.712 nan 8.150 nan 0.000 0.508 236 T N 3.155 117.668 114.554 -0.069 0.000 2.801 236 T HA 0.330 4.680 4.350 0.001 0.000 0.306 236 T C -0.162 174.535 174.700 -0.004 0.000 1.020 236 T CA -0.391 61.690 62.100 -0.031 0.000 0.948 236 T CB 0.139 68.994 68.868 -0.021 0.000 0.962 236 T HN 0.747 nan 8.240 nan 0.000 0.465 237 K N 2.799 123.207 120.400 0.013 0.000 5.423 237 K HA -0.229 4.091 4.320 0.001 0.000 0.410 237 K C 1.108 177.712 176.600 0.008 0.000 0.929 237 K CA 0.913 57.212 56.287 0.020 0.000 1.129 237 K CB -1.202 31.316 32.500 0.030 0.000 1.934 237 K HN 1.178 nan 8.250 nan 0.000 0.348 238 G N 1.764 110.566 108.800 0.003 0.000 3.675 238 G HA2 -0.223 3.737 3.960 0.001 0.000 0.275 238 G HA3 -0.223 3.737 3.960 0.001 0.000 0.275 238 G C 0.206 175.099 174.900 -0.012 0.000 1.648 238 G CA 0.054 45.153 45.100 -0.002 0.000 1.093 238 G HN 1.292 nan 8.290 nan 0.000 0.617 239 G N 0.045 108.837 108.800 -0.014 0.000 2.845 239 G HA2 0.719 4.679 3.960 0.001 0.000 0.282 239 G HA3 0.719 4.679 3.960 0.001 0.000 0.282 239 G C -0.697 174.189 174.900 -0.023 0.000 1.546 239 G CA 0.605 45.691 45.100 -0.024 0.000 1.089 239 G HN 0.806 nan 8.290 nan 0.000 0.558 240 R N 2.816 123.298 120.500 -0.031 0.000 2.725 240 R HA 0.307 4.647 4.340 0.001 0.000 0.276 240 R C -1.170 175.106 176.300 -0.041 0.000 1.189 240 R CA -0.665 55.418 56.100 -0.029 0.000 1.083 240 R CB 0.955 31.244 30.300 -0.019 0.000 1.262 240 R HN 0.365 nan 8.270 nan 0.000 0.415 241 L N 3.334 124.536 121.223 -0.036 0.000 2.456 241 L HA 0.641 4.982 4.340 0.001 0.000 0.257 241 L C -0.026 176.820 176.870 -0.041 0.000 1.162 241 L CA -0.395 54.424 54.840 -0.034 0.000 0.808 241 L CB 1.134 43.185 42.059 -0.013 0.000 1.136 241 L HN 0.812 nan 8.230 nan 0.000 0.466 242 C N -0.505 118.767 119.300 -0.048 0.000 3.232 242 C HA 0.265 4.725 4.460 0.001 0.000 0.452 242 C C -1.480 173.462 174.990 -0.079 0.000 0.920 242 C CA -1.146 57.831 59.018 -0.068 0.000 1.154 242 C CB -0.001 27.685 27.740 -0.090 0.000 1.597 242 C HN 0.779 nan 8.230 nan 0.000 0.649 243 N N 4.329 123.000 118.700 -0.049 0.000 2.469 243 N HA 0.269 5.009 4.740 0.001 0.000 0.239 243 N C -1.800 173.659 175.510 -0.085 0.000 1.053 243 N CA -0.783 52.263 53.050 -0.007 0.000 0.937 243 N CB 2.109 40.667 38.487 0.118 0.000 1.163 243 N HN 0.577 nan 8.380 nan 0.000 0.509 244 P HA -0.095 nan 4.420 nan 0.000 0.214 244 P C -0.284 176.910 177.300 -0.177 0.000 1.163 244 P CA 1.404 64.272 63.100 -0.386 0.000 0.883 244 P CB 0.337 31.691 31.700 -0.576 0.000 0.788 245 N N -0.850 117.842 118.700 -0.014 0.000 2.430 245 N HA 0.133 4.874 4.740 0.001 0.000 0.292 245 N C 0.665 176.292 175.510 0.195 0.000 1.051 245 N CA -0.427 52.696 53.050 0.121 0.000 0.917 245 N CB 0.399 38.988 38.487 0.171 0.000 1.164 245 N HN -0.197 nan 8.380 nan 0.000 0.484 246 L N 2.940 124.291 121.223 0.214 0.000 2.127 246 L HA 0.118 4.458 4.340 0.001 0.000 0.203 246 L C -0.755 176.384 176.870 0.448 0.000 1.080 246 L CA 1.464 56.468 54.840 0.273 0.000 0.768 246 L CB -1.669 40.505 42.059 0.191 0.000 0.924 246 L HN 0.445 nan 8.230 nan 0.000 0.444 247 P HA -0.076 nan 4.420 nan 0.000 0.216 247 P C 0.079 177.450 177.300 0.119 0.000 1.153 247 P CA 0.560 63.711 63.100 0.085 0.000 0.844 247 P CB -0.067 31.509 31.700 -0.207 0.000 0.787 248 T N 1.620 116.272 114.554 0.163 0.000 2.155 248 T HA -0.171 4.180 4.350 0.001 0.000 0.227 248 T C 0.700 175.455 174.700 0.092 0.000 1.026 248 T CA 1.050 63.237 62.100 0.145 0.000 1.465 248 T CB -0.225 68.749 68.868 0.178 0.000 1.016 248 T HN 0.294 nan 8.240 nan 0.000 0.405 249 E N 0.532 120.794 120.200 0.104 0.000 2.703 249 E HA 0.051 4.401 4.350 0.001 0.000 0.214 249 E C 0.683 177.380 176.600 0.162 0.000 0.944 249 E CA -0.014 56.460 56.400 0.123 0.000 1.299 249 E CB 0.612 30.369 29.700 0.095 0.000 1.189 249 E HN 0.940 nan 8.360 nan 0.000 0.597 250 E N 0.941 121.262 120.200 0.202 0.000 2.280 250 E HA 0.488 4.838 4.350 0.001 0.000 0.261 250 E C 0.092 176.883 176.600 0.318 0.000 1.088 250 E CA -0.909 55.667 56.400 0.295 0.000 0.915 250 E CB 1.967 31.907 29.700 0.400 0.000 1.141 250 E HN -0.137 nan 8.360 nan 0.000 0.433 251 V N -0.796 119.353 119.914 0.391 0.000 2.733 251 V HA 0.792 4.912 4.120 0.001 0.000 0.306 251 V C -0.903 175.499 176.094 0.513 0.000 1.084 251 V CA -0.846 61.669 62.300 0.358 0.000 0.905 251 V CB 0.485 32.496 31.823 0.314 0.000 1.010 251 V HN 0.840 nan 8.190 nan 0.000 0.424 252 F N 0.722 120.841 119.950 0.282 0.000 2.831 252 F HA 0.985 5.513 4.527 0.000 0.000 0.318 252 F C -0.530 175.090 175.800 -0.300 0.000 1.174 252 F CA -0.215 57.775 58.000 -0.017 0.000 0.918 252 F CB 1.486 40.459 39.000 -0.044 0.000 1.364 252 F HN 0.885 nan 8.300 nan 0.000 0.475 253 T N -0.279 114.043 114.554 -0.387 0.000 2.733 253 T HA 0.656 5.006 4.350 0.001 0.000 0.312 253 T C -1.889 172.614 174.700 -0.328 0.000 1.590 253 T CA -0.127 61.666 62.100 -0.511 0.000 1.005 253 T CB 1.060 69.179 68.868 -1.249 0.000 1.528 253 T HN 1.511 nan 8.240 nan 0.000 0.496 254 A N 3.975 126.670 122.820 -0.209 0.000 2.362 254 A HA 0.693 5.013 4.320 0.001 0.000 0.276 254 A C -2.131 175.336 177.584 -0.196 0.000 1.153 254 A CA -1.159 50.788 52.037 -0.150 0.000 0.813 254 A CB -0.119 18.838 19.000 -0.071 0.000 1.081 254 A HN 0.659 nan 8.150 nan 0.000 0.507 255 P HA 0.058 nan 4.420 nan 0.000 0.296 255 P C -0.664 176.584 177.300 -0.086 0.000 1.295 255 P CA -0.008 62.991 63.100 -0.168 0.000 0.754 255 P CB 0.388 31.962 31.700 -0.209 0.000 1.311 256 H N -0.967 118.015 119.070 -0.147 0.000 2.504 256 H HA 0.263 4.819 4.556 0.001 0.000 0.322 256 H C 1.652 176.922 175.328 -0.097 0.000 1.055 256 H CA -0.425 55.558 56.048 -0.109 0.000 1.231 256 H CB 0.697 30.412 29.762 -0.078 0.000 1.417 256 H HN 0.264 nan 8.280 nan 0.000 0.472 257 R N 2.945 123.080 120.500 -0.609 0.000 2.189 257 R HA -0.237 4.103 4.340 0.001 0.000 0.252 257 R C 0.082 176.238 176.300 -0.241 0.000 1.134 257 R CA 2.603 58.462 56.100 -0.402 0.000 0.954 257 R CB 0.094 30.154 30.300 -0.399 0.000 0.890 257 R HN 0.804 nan 8.270 nan 0.000 0.443 258 E N -0.869 119.181 120.200 -0.250 0.000 2.585 258 E HA 0.140 4.491 4.350 0.001 0.000 0.206 258 E C -0.281 176.427 176.600 0.180 0.000 1.007 258 E CA -0.141 56.287 56.400 0.047 0.000 1.028 258 E CB 0.838 30.599 29.700 0.101 0.000 1.087 258 E HN 0.188 nan 8.360 nan 0.000 0.455 259 R N 1.135 121.745 120.500 0.183 0.000 2.782 259 R HA 0.236 4.576 4.340 0.001 0.000 0.293 259 R C -0.963 175.348 176.300 0.018 0.000 1.333 259 R CA -0.065 56.116 56.100 0.135 0.000 1.479 259 R CB 1.217 31.603 30.300 0.142 0.000 1.306 259 R HN -0.098 nan 8.270 nan 0.000 0.654 260 V N 1.026 120.934 119.914 -0.011 0.000 2.383 260 V HA 0.240 4.360 4.120 0.001 0.000 0.264 260 V C -0.101 176.003 176.094 0.016 0.000 1.001 260 V CA -0.694 61.548 62.300 -0.097 0.000 0.828 260 V CB 1.431 33.032 31.823 -0.370 0.000 1.069 260 V HN 0.293 nan 8.190 nan 0.000 0.451 261 E N 2.299 122.549 120.200 0.083 0.000 2.231 261 E HA 0.771 5.121 4.350 0.001 0.000 0.277 261 E C 0.466 177.170 176.600 0.174 0.000 0.999 261 E CA 0.015 56.508 56.400 0.156 0.000 0.827 261 E CB 2.509 32.288 29.700 0.132 0.000 1.101 261 E HN 0.824 nan 8.360 nan 0.000 0.393 262 G N 0.357 109.295 108.800 0.230 0.000 2.369 262 G HA2 0.119 4.080 3.960 0.001 0.000 0.293 262 G HA3 0.119 4.080 3.960 0.001 0.000 0.293 262 G C -1.641 173.423 174.900 0.273 0.000 1.301 262 G CA -0.892 44.341 45.100 0.222 0.000 0.913 262 G HN 0.353 nan 8.290 nan 0.000 0.540 263 V N -0.148 119.911 119.914 0.242 0.000 2.531 263 V HA 0.763 4.883 4.120 0.001 0.000 0.301 263 V C -0.403 175.848 176.094 0.261 0.000 1.034 263 V CA -0.679 61.796 62.300 0.292 0.000 0.865 263 V CB 1.349 33.318 31.823 0.244 0.000 0.995 263 V HN 1.422 nan 8.190 nan 0.000 0.424 264 V N 6.541 126.660 119.914 0.342 0.000 2.638 264 V HA 0.695 4.815 4.120 0.001 0.000 0.306 264 V C -0.652 175.666 176.094 0.374 0.000 1.052 264 V CA -0.557 61.886 62.300 0.239 0.000 0.885 264 V CB 2.082 33.978 31.823 0.123 0.000 0.999 264 V HN 0.930 nan 8.190 nan 0.000 0.424 265 R N 4.365 125.008 120.500 0.239 0.000 2.562 265 R HA 0.819 5.159 4.340 0.001 0.000 0.298 265 R C 0.166 176.605 176.300 0.232 0.000 0.961 265 R CA 0.048 56.326 56.100 0.297 0.000 0.881 265 R CB 1.902 32.291 30.300 0.148 0.000 1.159 265 R HN 1.047 nan 8.270 nan 0.000 0.450 266 A N 1.452 124.506 122.820 0.389 0.000 2.536 266 A HA 0.056 4.376 4.320 0.001 0.000 0.234 266 A C 0.683 178.347 177.584 0.133 0.000 1.076 266 A CA 0.553 52.787 52.037 0.327 0.000 0.769 266 A CB 0.226 19.456 19.000 0.384 0.000 1.020 266 A HN 0.947 nan 8.150 nan 0.000 0.508 267 S N 0.956 116.703 115.700 0.078 0.000 2.931 267 S HA 0.277 4.747 4.470 0.001 0.000 0.251 267 S C 0.737 175.342 174.600 0.008 0.000 1.078 267 S CA -0.121 58.090 58.200 0.018 0.000 0.835 267 S CB 0.168 63.355 63.200 -0.022 0.000 0.798 267 S HN 0.707 nan 8.310 nan 0.000 0.495 268 R N 1.568 122.078 120.500 0.016 0.000 2.803 268 R HA 0.650 4.991 4.340 0.001 0.000 0.276 268 R C -3.060 173.243 176.300 0.006 0.000 0.978 268 R CA -2.178 53.910 56.100 -0.020 0.000 0.939 268 R CB 0.973 31.242 30.300 -0.052 0.000 1.179 268 R HN 0.173 nan 8.270 nan 0.000 0.472 269 P HA -0.009 nan 4.420 nan 0.000 0.271 269 P C -1.315 175.972 177.300 -0.022 0.000 1.233 269 P CA -0.341 62.738 63.100 -0.035 0.000 0.789 269 P CB 0.492 32.139 31.700 -0.087 0.000 0.951 270 L N 1.293 122.524 121.223 0.014 0.000 2.316 270 L HA 0.636 4.976 4.340 0.001 0.000 0.280 270 L C -0.607 176.289 176.870 0.042 0.000 1.006 270 L CA -0.782 54.079 54.840 0.036 0.000 0.836 270 L CB 0.592 42.680 42.059 0.047 0.000 1.221 270 L HN 0.352 nan 8.230 nan 0.000 0.418 271 A N 5.321 128.181 122.820 0.067 0.000 2.527 271 A HA 0.423 4.743 4.320 0.001 0.000 0.313 271 A C -0.272 177.377 177.584 0.108 0.000 1.410 271 A CA -0.312 51.813 52.037 0.147 0.000 1.060 271 A CB -0.372 18.787 19.000 0.266 0.000 1.137 271 A HN 0.727 nan 8.150 nan 0.000 0.542 272 L N 3.455 124.719 121.223 0.069 0.000 2.466 272 L HA 0.494 4.834 4.340 0.001 0.000 0.248 272 L C 1.046 177.938 176.870 0.038 0.000 1.240 272 L CA 0.891 55.752 54.840 0.036 0.000 1.180 272 L CB -0.281 41.772 42.059 -0.010 0.000 1.413 272 L HN 1.102 nan 8.230 nan 0.000 0.406 273 G N 2.431 111.266 108.800 0.057 0.000 2.374 273 G HA2 0.046 4.006 3.960 0.001 0.000 0.289 273 G HA3 0.046 4.006 3.960 0.001 0.000 0.289 273 G C 0.997 175.922 174.900 0.041 0.000 1.004 273 G CA 0.461 45.587 45.100 0.044 0.000 1.292 273 G HN 1.612 nan 8.290 nan 0.000 0.502 274 G N -0.764 108.075 108.800 0.064 0.000 2.729 274 G HA2 -0.125 3.835 3.960 0.001 0.000 0.216 274 G HA3 -0.125 3.835 3.960 0.001 0.000 0.216 274 G C 0.835 175.762 174.900 0.046 0.000 1.252 274 G CA 0.662 45.791 45.100 0.048 0.000 0.751 274 G HN 1.916 nan 8.290 nan 0.000 0.527 275 T N 1.961 116.537 114.554 0.037 0.000 2.907 275 T HA 0.533 4.883 4.350 0.001 0.000 0.298 275 T C -0.101 174.632 174.700 0.055 0.000 1.017 275 T CA 0.091 62.209 62.100 0.029 0.000 1.118 275 T CB 2.310 71.181 68.868 0.006 0.000 0.948 275 T HN 0.695 nan 8.240 nan 0.000 0.531 276 L N 4.303 125.560 121.223 0.058 0.000 2.262 276 L HA 0.444 4.784 4.340 0.001 0.000 0.288 276 L C -0.711 176.182 176.870 0.038 0.000 1.035 276 L CA -0.366 54.525 54.840 0.085 0.000 0.820 276 L CB 0.720 42.851 42.059 0.120 0.000 1.204 276 L HN 0.458 nan 8.230 nan 0.000 0.424 277 V N 5.354 125.280 119.914 0.020 0.000 2.385 277 V HA 0.398 4.518 4.120 0.001 0.000 0.269 277 V C 0.164 176.255 176.094 -0.005 0.000 1.043 277 V CA -0.501 61.788 62.300 -0.017 0.000 0.906 277 V CB 1.002 32.789 31.823 -0.061 0.000 0.995 277 V HN 0.731 nan 8.190 nan 0.000 0.467 278 E N 2.639 122.837 120.200 -0.003 0.000 2.263 278 E HA 0.570 4.921 4.350 0.001 0.000 0.264 278 E C 0.966 177.576 176.600 0.018 0.000 0.923 278 E CA -0.253 56.153 56.400 0.010 0.000 0.802 278 E CB 1.847 31.554 29.700 0.012 0.000 1.228 278 E HN 0.858 nan 8.360 nan 0.000 0.417 279 G N 2.270 111.094 108.800 0.040 0.000 2.244 279 G HA2 -0.322 3.638 3.960 0.001 0.000 0.274 279 G HA3 -0.322 3.638 3.960 0.001 0.000 0.274 279 G C 0.497 175.455 174.900 0.095 0.000 1.002 279 G CA 0.885 46.023 45.100 0.064 0.000 0.740 279 G HN 0.647 nan 8.290 nan 0.000 0.516 280 I N -0.845 119.761 120.570 0.060 0.000 3.160 280 I HA 0.321 4.492 4.170 0.001 0.000 0.311 280 I C 0.218 176.433 176.117 0.163 0.000 1.218 280 I CA 0.280 61.575 61.300 -0.008 0.000 1.440 280 I CB 0.300 38.155 38.000 -0.241 0.000 1.310 280 I HN 0.447 nan 8.210 nan 0.000 0.575 281 F N 6.697 126.611 119.950 -0.061 0.000 2.615 281 F HA 0.780 5.307 4.527 0.001 0.000 0.312 281 F C -1.334 174.462 175.800 -0.008 0.000 1.119 281 F CA -0.438 57.591 58.000 0.048 0.000 0.979 281 F CB 0.988 40.008 39.000 0.034 0.000 1.266 281 F HN 0.711 nan 8.300 nan 0.000 0.444 282 A N 5.623 128.196 122.820 -0.412 0.000 2.475 282 A HA 0.830 5.150 4.320 0.001 0.000 0.301 282 A C -1.600 175.716 177.584 -0.447 0.000 1.059 282 A CA -0.963 50.672 52.037 -0.669 0.000 0.710 282 A CB 1.831 20.686 19.000 -0.240 0.000 1.288 282 A HN 0.962 nan 8.150 nan 0.000 0.408 283 R N 1.937 122.120 120.500 -0.527 0.000 2.393 283 R HA 0.622 4.963 4.340 0.001 0.000 0.315 283 R C -1.914 174.242 176.300 -0.239 0.000 0.952 283 R CA -0.343 55.674 56.100 -0.139 0.000 0.842 283 R CB 0.633 30.952 30.300 0.032 0.000 1.163 283 R HN 0.549 nan 8.270 nan 0.000 0.450 284 F N 1.941 121.954 119.950 0.104 0.000 2.422 284 F HA 0.387 4.914 4.527 0.001 0.000 0.333 284 F C 0.239 176.108 175.800 0.116 0.000 1.095 284 F CA -0.418 57.645 58.000 0.105 0.000 1.038 284 F CB 1.907 40.946 39.000 0.065 0.000 1.156 284 F HN 0.442 nan 8.300 nan 0.000 0.483 285 E N 2.304 122.709 120.200 0.342 0.000 2.281 285 E HA 0.311 4.661 4.350 0.001 0.000 0.266 285 E C -0.710 176.032 176.600 0.237 0.000 0.893 285 E CA -0.824 55.717 56.400 0.236 0.000 0.798 285 E CB 0.967 30.767 29.700 0.167 0.000 1.245 285 E HN 0.668 nan 8.360 nan 0.000 0.410 286 R N 2.686 123.295 120.500 0.182 0.000 3.322 286 R HA -0.283 4.057 4.340 0.001 0.000 0.253 286 R C 0.593 177.009 176.300 0.193 0.000 0.987 286 R CA 1.140 57.336 56.100 0.160 0.000 0.666 286 R CB -2.796 27.583 30.300 0.132 0.000 1.072 286 R HN 0.941 nan 8.270 nan 0.000 0.447 287 G N -0.895 108.021 108.800 0.193 0.000 2.234 287 G HA2 -0.384 3.576 3.960 0.001 0.000 0.260 287 G HA3 -0.384 3.576 3.960 0.001 0.000 0.260 287 G C 0.008 175.091 174.900 0.304 0.000 0.987 287 G CA 0.467 45.659 45.100 0.154 0.000 0.625 287 G HN 0.549 nan 8.290 nan 0.000 0.532 288 F N 2.082 122.191 119.950 0.265 0.000 2.420 288 F HA 0.655 5.183 4.527 0.001 0.000 0.342 288 F C 0.725 176.680 175.800 0.258 0.000 1.113 288 F CA -0.286 57.871 58.000 0.260 0.000 1.059 288 F CB 1.449 40.525 39.000 0.127 0.000 1.128 288 F HN 0.313 nan 8.300 nan 0.000 0.475 289 A N 5.912 128.725 122.820 -0.011 0.000 2.666 289 A HA 0.342 4.663 4.320 0.001 0.000 0.301 289 A C 0.560 178.158 177.584 0.023 0.000 1.470 289 A CA -0.341 51.452 52.037 -0.406 0.000 1.159 289 A CB -0.556 18.174 19.000 -0.449 0.000 1.116 289 A HN 0.756 nan 8.150 nan 0.000 0.548 290 V N 1.749 121.727 119.914 0.107 0.000 3.217 290 V HA 0.019 4.140 4.120 0.001 0.000 0.264 290 V C 0.910 176.993 176.094 -0.018 0.000 1.135 290 V CA 1.659 64.041 62.300 0.137 0.000 1.142 290 V CB -1.057 30.818 31.823 0.086 0.000 0.754 290 V HN 0.881 nan 8.190 nan 0.000 0.484 291 E N 0.180 120.281 120.200 -0.165 0.000 2.448 291 E HA 0.408 4.758 4.350 0.001 0.000 0.288 291 E C -1.734 174.593 176.600 -0.454 0.000 0.936 291 E CA -0.207 56.052 56.400 -0.235 0.000 0.809 291 E CB 1.871 31.473 29.700 -0.165 0.000 1.408 291 E HN 0.077 nan 8.360 nan 0.000 0.393 292 V N 4.660 124.347 119.914 -0.378 0.000 2.483 292 V HA 0.667 4.788 4.120 0.001 0.000 0.295 292 V C 0.091 175.971 176.094 -0.356 0.000 1.035 292 V CA -0.475 61.550 62.300 -0.458 0.000 0.896 292 V CB 1.522 33.088 31.823 -0.428 0.000 0.986 292 V HN 0.625 nan 8.190 nan 0.000 0.447 293 R N 2.762 123.055 120.500 -0.345 0.000 2.795 293 R HA 0.957 5.297 4.340 0.001 0.000 0.268 293 R C -1.261 174.985 176.300 -0.090 0.000 1.041 293 R CA -1.006 55.007 56.100 -0.144 0.000 0.927 293 R CB 2.323 32.632 30.300 0.015 0.000 1.235 293 R HN 0.809 nan 8.270 nan 0.000 0.463 294 A N 0.347 123.146 122.820 -0.035 0.000 2.582 294 A HA 0.280 4.601 4.320 0.001 0.000 0.297 294 A C -0.165 177.416 177.584 -0.005 0.000 1.059 294 A CA -0.743 51.279 52.037 -0.024 0.000 0.705 294 A CB 1.455 20.405 19.000 -0.083 0.000 1.279 294 A HN 0.865 nan 8.150 nan 0.000 0.404 295 E N 0.508 120.714 120.200 0.009 0.000 2.160 295 E HA -0.113 4.238 4.350 0.001 0.000 0.195 295 E C -0.067 176.530 176.600 -0.005 0.000 0.991 295 E CA 1.126 57.530 56.400 0.007 0.000 0.810 295 E CB -0.005 29.701 29.700 0.010 0.000 0.742 295 E HN 0.484 nan 8.360 nan 0.000 0.466 296 K N -1.110 119.283 120.400 -0.012 0.000 2.513 296 K HA 0.382 4.703 4.320 0.001 0.000 0.251 296 K C -0.229 176.354 176.600 -0.027 0.000 0.939 296 K CA -0.007 56.271 56.287 -0.014 0.000 0.793 296 K CB 2.230 34.727 32.500 -0.004 0.000 1.241 296 K HN 0.125 nan 8.250 nan 0.000 0.431 297 G N 1.875 110.657 108.800 -0.031 0.000 2.136 297 G HA2 -0.318 3.642 3.960 0.001 0.000 0.242 297 G HA3 -0.318 3.642 3.960 0.001 0.000 0.242 297 G C 0.750 175.610 174.900 -0.067 0.000 0.989 297 G CA 0.756 45.830 45.100 -0.043 0.000 0.682 297 G HN 0.817 nan 8.290 nan 0.000 0.522 298 E N 0.092 120.252 120.200 -0.066 0.000 2.070 298 E HA -0.214 4.137 4.350 0.001 0.000 0.197 298 E C 2.036 178.581 176.600 -0.093 0.000 1.004 298 E CA 1.669 58.016 56.400 -0.088 0.000 0.805 298 E CB -0.220 29.440 29.700 -0.067 0.000 0.744 298 E HN 0.740 nan 8.360 nan 0.000 0.451 299 E N -0.159 120.000 120.200 -0.069 0.000 2.068 299 E HA -0.257 4.093 4.350 0.001 0.000 0.207 299 E C 2.236 178.790 176.600 -0.077 0.000 1.032 299 E CA 2.047 58.408 56.400 -0.065 0.000 0.839 299 E CB -0.140 29.532 29.700 -0.047 0.000 0.758 299 E HN 0.215 nan 8.360 nan 0.000 0.457 300 V N 1.247 121.117 119.914 -0.074 0.000 2.255 300 V HA -0.276 3.845 4.120 0.001 0.000 0.247 300 V C 2.406 178.432 176.094 -0.112 0.000 1.051 300 V CA 1.803 64.057 62.300 -0.078 0.000 1.018 300 V CB -0.584 31.201 31.823 -0.063 0.000 0.641 300 V HN 0.241 nan 8.190 nan 0.000 0.445 301 L N 0.191 121.328 121.223 -0.143 0.000 2.042 301 L HA -0.168 4.172 4.340 0.001 0.000 0.210 301 L C 2.636 179.362 176.870 -0.239 0.000 1.076 301 L CA 1.927 56.639 54.840 -0.213 0.000 0.749 301 L CB -0.695 41.206 42.059 -0.263 0.000 0.893 301 L HN 0.181 nan 8.230 nan 0.000 0.432 302 R N -0.851 119.528 120.500 -0.201 0.000 2.105 302 R HA -0.168 4.173 4.340 0.001 0.000 0.239 302 R C 2.355 178.562 176.300 -0.154 0.000 1.135 302 R CA 1.692 57.679 56.100 -0.188 0.000 0.967 302 R CB -0.358 29.857 30.300 -0.141 0.000 0.861 302 R HN 0.440 nan 8.270 nan 0.000 0.442 303 R N 0.338 120.765 120.500 -0.122 0.000 2.070 303 R HA -0.121 4.220 4.340 0.001 0.000 0.233 303 R C 2.357 178.595 176.300 -0.104 0.000 1.137 303 R CA 1.196 57.239 56.100 -0.094 0.000 0.945 303 R CB -0.518 29.739 30.300 -0.072 0.000 0.845 303 R HN 0.082 nan 8.270 nan 0.000 0.430 304 L N 0.806 121.955 121.223 -0.124 0.000 2.081 304 L HA -0.171 4.169 4.340 0.001 0.000 0.212 304 L C 1.933 178.708 176.870 -0.158 0.000 1.080 304 L CA 1.528 56.293 54.840 -0.125 0.000 0.754 304 L CB -0.151 41.825 42.059 -0.137 0.000 0.893 304 L HN 0.182 nan 8.230 nan 0.000 0.433 305 L N -1.336 119.749 121.223 -0.229 0.000 2.591 305 L HA -0.016 4.324 4.340 0.001 0.000 0.228 305 L C 0.969 177.737 176.870 -0.170 0.000 1.133 305 L CA 0.223 54.895 54.840 -0.280 0.000 0.880 305 L CB -0.208 41.562 42.059 -0.482 0.000 1.033 305 L HN 0.176 nan 8.230 nan 0.000 0.450 306 D N -1.205 119.127 120.400 -0.114 0.000 2.402 306 D HA 0.042 4.682 4.640 0.001 0.000 0.216 306 D C 1.602 177.883 176.300 -0.032 0.000 1.128 306 D CA 0.202 54.169 54.000 -0.055 0.000 0.833 306 D CB 0.701 41.471 40.800 -0.050 0.000 0.971 306 D HN 0.105 nan 8.370 nan 0.000 0.503 307 T N 0.927 115.456 114.554 -0.041 0.000 2.622 307 T HA -0.139 4.211 4.350 0.001 0.000 0.266 307 T C 0.743 175.444 174.700 0.001 0.000 1.047 307 T CA 1.588 63.675 62.100 -0.021 0.000 1.159 307 T CB 0.118 68.973 68.868 -0.022 0.000 0.863 307 T HN 0.479 nan 8.240 nan 0.000 0.422 308 D N -1.472 118.934 120.400 0.010 0.000 2.958 308 D HA 0.346 4.986 4.640 0.001 0.000 0.306 308 D C 0.921 177.258 176.300 0.062 0.000 1.226 308 D CA -0.741 53.280 54.000 0.035 0.000 1.032 308 D CB 0.398 41.219 40.800 0.034 0.000 1.400 308 D HN 0.083 nan 8.370 nan 0.000 0.587 309 E N -0.324 119.931 120.200 0.091 0.000 2.016 309 E HA -0.071 4.279 4.350 0.001 0.000 0.190 309 E C 2.152 178.803 176.600 0.085 0.000 0.985 309 E CA 1.287 57.782 56.400 0.158 0.000 0.802 309 E CB -0.815 28.990 29.700 0.175 0.000 0.762 309 E HN 0.549 nan 8.360 nan 0.000 0.448 310 G N 0.747 109.585 108.800 0.063 0.000 2.517 310 G HA2 -0.342 3.618 3.960 0.001 0.000 0.222 310 G HA3 -0.342 3.618 3.960 0.001 0.000 0.222 310 G C 1.604 176.510 174.900 0.010 0.000 1.109 310 G CA 1.130 46.252 45.100 0.036 0.000 0.746 310 G HN 0.453 nan 8.290 nan 0.000 0.576 311 A N 0.969 123.785 122.820 -0.006 0.000 1.903 311 A HA -0.133 4.187 4.320 0.001 0.000 0.219 311 A C 2.183 179.730 177.584 -0.061 0.000 1.191 311 A CA 1.507 53.522 52.037 -0.037 0.000 0.638 311 A CB -0.282 18.676 19.000 -0.070 0.000 0.823 311 A HN 0.418 nan 8.150 nan 0.000 0.451 312 R N -0.509 119.878 120.500 -0.188 0.000 3.081 312 R HA 0.300 4.641 4.340 0.001 0.000 0.280 312 R C -0.235 175.941 176.300 -0.207 0.000 1.372 312 R CA -0.046 55.891 56.100 -0.271 0.000 1.242 312 R CB 0.105 30.015 30.300 -0.651 0.000 1.316 312 R HN 0.386 nan 8.270 nan 0.000 0.585 313 R N 0.104 120.632 120.500 0.047 0.000 2.888 313 R HA 0.482 4.823 4.340 0.001 0.000 0.264 313 R C -0.738 175.570 176.300 0.013 0.000 1.045 313 R CA -0.967 55.145 56.100 0.020 0.000 0.962 313 R CB 1.703 31.971 30.300 -0.052 0.000 1.210 313 R HN -0.016 nan 8.270 nan 0.000 0.479 314 L N -0.241 120.886 121.223 -0.160 0.000 2.357 314 L HA 0.497 4.838 4.340 0.001 0.000 0.273 314 L C 1.050 177.821 176.870 -0.164 0.000 1.080 314 L CA -0.117 54.569 54.840 -0.257 0.000 0.803 314 L CB 1.579 43.374 42.059 -0.440 0.000 1.174 314 L HN 0.932 nan 8.230 nan 0.000 0.443 315 G N 1.305 110.022 108.800 -0.138 0.000 4.165 315 G HA2 0.248 4.209 3.960 0.001 0.000 0.287 315 G HA3 0.248 4.209 3.960 0.001 0.000 0.287 315 G C -0.312 174.535 174.900 -0.087 0.000 1.019 315 G CA 0.053 45.107 45.100 -0.076 0.000 0.806 315 G HN 0.592 nan 8.290 nan 0.000 0.447 316 E N 0.084 120.189 120.200 -0.157 0.000 2.649 316 E HA 0.339 4.689 4.350 0.001 0.000 0.308 316 E C -1.966 174.488 176.600 -0.244 0.000 1.017 316 E CA -0.424 55.882 56.400 -0.157 0.000 0.848 316 E CB 2.230 31.855 29.700 -0.125 0.000 1.240 316 E HN -0.049 nan 8.360 nan 0.000 0.421 317 V N 1.953 121.720 119.914 -0.245 0.000 2.540 317 V HA 0.899 5.019 4.120 0.001 0.000 0.302 317 V C -0.387 175.588 176.094 -0.199 0.000 1.035 317 V CA -0.410 61.736 62.300 -0.256 0.000 0.873 317 V CB 1.356 33.047 31.823 -0.221 0.000 0.992 317 V HN 0.727 nan 8.190 nan 0.000 0.428 318 A N 5.310 127.974 122.820 -0.261 0.000 2.449 318 A HA 0.914 5.234 4.320 0.001 0.000 0.302 318 A C -1.226 176.345 177.584 -0.021 0.000 1.048 318 A CA -0.573 51.371 52.037 -0.155 0.000 0.708 318 A CB 1.464 20.080 19.000 -0.640 0.000 1.274 318 A HN 0.784 nan 8.150 nan 0.000 0.410 319 L N 2.434 123.758 121.223 0.168 0.000 2.298 319 L HA 0.606 4.947 4.340 0.001 0.000 0.284 319 L C -1.041 175.866 176.870 0.061 0.000 1.013 319 L CA -0.872 54.005 54.840 0.062 0.000 0.824 319 L CB 1.553 43.620 42.059 0.012 0.000 1.221 319 L HN 0.414 nan 8.230 nan 0.000 0.418 320 V N 4.065 123.966 119.914 -0.021 0.000 2.409 320 V HA 0.322 4.442 4.120 0.001 0.000 0.290 320 V C -2.117 173.916 176.094 -0.102 0.000 1.017 320 V CA -1.692 60.620 62.300 0.021 0.000 0.841 320 V CB 1.666 33.545 31.823 0.093 0.000 1.003 320 V HN 0.592 nan 8.190 nan 0.000 0.426 321 P HA 0.070 nan 4.420 nan 0.000 0.263 321 P C 0.380 177.634 177.300 -0.076 0.000 1.195 321 P CA 0.104 63.090 63.100 -0.189 0.000 0.762 321 P CB 1.280 32.948 31.700 -0.053 0.000 0.799 322 A N 2.837 125.603 122.820 -0.090 0.000 2.310 322 A HA -0.012 4.308 4.320 0.001 0.000 0.230 322 A C 0.896 178.460 177.584 -0.033 0.000 1.294 322 A CA 0.389 52.395 52.037 -0.052 0.000 0.898 322 A CB -1.075 17.891 19.000 -0.057 0.000 0.917 322 A HN 0.581 nan 8.150 nan 0.000 0.491 323 D N -1.365 119.022 120.400 -0.022 0.000 2.462 323 D HA 0.066 4.706 4.640 0.001 0.000 0.221 323 D C 0.158 176.456 176.300 -0.002 0.000 1.173 323 D CA -0.330 53.665 54.000 -0.008 0.000 0.831 323 D CB -0.572 40.229 40.800 0.001 0.000 1.001 323 D HN 0.469 nan 8.370 nan 0.000 0.499 324 N N -0.404 118.293 118.700 -0.004 0.000 2.434 324 N HA 0.282 5.022 4.740 0.001 0.000 0.266 324 N C -1.843 173.654 175.510 -0.020 0.000 1.223 324 N CA -1.431 51.612 53.050 -0.013 0.000 0.972 324 N CB 1.062 39.549 38.487 0.000 0.000 1.207 324 N HN -0.332 nan 8.380 nan 0.000 0.525 325 P HA -0.109 nan 4.420 nan 0.000 0.213 325 P C 1.104 178.398 177.300 -0.009 0.000 1.170 325 P CA 1.517 64.603 63.100 -0.024 0.000 0.898 325 P CB 0.020 31.690 31.700 -0.050 0.000 0.787 326 I N -1.195 119.340 120.570 -0.058 0.000 2.399 326 I HA -0.267 3.903 4.170 0.001 0.000 0.254 326 I C 2.116 178.272 176.117 0.065 0.000 1.146 326 I CA 1.459 62.732 61.300 -0.045 0.000 1.412 326 I CB -0.671 37.223 38.000 -0.176 0.000 1.076 326 I HN -0.049 nan 8.210 nan 0.000 0.432 327 A N 0.723 123.555 122.820 0.021 0.000 1.935 327 A HA -0.094 4.226 4.320 0.001 0.000 0.214 327 A C 2.283 179.873 177.584 0.009 0.000 1.178 327 A CA 0.794 52.839 52.037 0.013 0.000 0.640 327 A CB -0.230 18.767 19.000 -0.005 0.000 0.825 327 A HN 0.249 nan 8.150 nan 0.000 0.447 328 K N -0.013 120.396 120.400 0.016 0.000 2.209 328 K HA -0.128 4.192 4.320 0.001 0.000 0.204 328 K C 2.155 178.772 176.600 0.028 0.000 1.048 328 K CA 1.743 58.041 56.287 0.018 0.000 0.940 328 K CB -0.323 32.192 32.500 0.025 0.000 0.729 328 K HN 0.743 nan 8.250 nan 0.000 0.451 329 T N -2.053 112.534 114.554 0.055 0.000 2.857 329 T HA -0.024 4.327 4.350 0.001 0.000 0.266 329 T C 1.312 175.983 174.700 -0.048 0.000 1.048 329 T CA 0.696 62.832 62.100 0.060 0.000 1.139 329 T CB -0.484 68.487 68.868 0.171 0.000 0.874 329 T HN 0.295 nan 8.240 nan 0.000 0.455 330 G N 1.670 110.430 108.800 -0.066 0.000 2.392 330 G HA2 -0.085 3.876 3.960 0.001 0.000 0.290 330 G HA3 -0.085 3.876 3.960 0.001 0.000 0.290 330 G C -0.385 174.340 174.900 -0.292 0.000 1.032 330 G CA 0.381 45.396 45.100 -0.141 0.000 1.269 330 G HN 0.802 nan 8.290 nan 0.000 0.511 331 L N -1.253 119.714 121.223 -0.427 0.000 2.403 331 L HA 0.783 5.123 4.340 0.001 0.000 0.253 331 L C 0.051 176.394 176.870 -0.877 0.000 1.045 331 L CA -1.613 52.777 54.840 -0.750 0.000 0.845 331 L CB 2.075 43.461 42.059 -1.122 0.000 1.447 331 L HN -0.033 nan 8.230 nan 0.000 0.411 332 V N 0.731 120.092 119.914 -0.921 0.000 2.357 332 V HA 0.265 4.385 4.120 0.001 0.000 0.284 332 V C -0.240 175.167 176.094 -1.144 0.000 1.018 332 V CA -0.047 61.663 62.300 -0.984 0.000 0.841 332 V CB 1.101 32.257 31.823 -1.112 0.000 0.991 332 V HN 0.555 nan 8.190 nan 0.000 0.437 333 F N 3.685 123.268 119.950 -0.613 0.000 2.727 333 F HA 0.352 4.879 4.527 0.001 0.000 0.302 333 F C 1.118 176.985 175.800 0.112 0.000 1.097 333 F CA -0.809 56.733 58.000 -0.764 0.000 1.330 333 F CB -0.471 38.126 39.000 -0.673 0.000 1.084 333 F HN 0.482 nan 8.300 nan 0.000 0.578 334 F N 0.148 120.187 119.950 0.148 0.000 3.054 334 F HA -0.332 4.195 4.527 0.000 0.000 0.264 334 F C 0.396 176.452 175.800 0.426 0.000 0.956 334 F CA 0.901 59.061 58.000 0.266 0.000 0.882 334 F CB -1.377 37.765 39.000 0.237 0.000 0.841 334 F HN 0.158 nan 8.300 nan 0.000 0.720 335 D N -0.370 120.385 120.400 0.593 0.000 2.896 335 D HA 0.221 4.861 4.640 0.001 0.000 0.241 335 D C 1.064 177.575 176.300 0.352 0.000 1.188 335 D CA 0.410 54.697 54.000 0.478 0.000 0.879 335 D CB 1.703 42.849 40.800 0.577 0.000 1.553 335 D HN 0.021 nan 8.370 nan 0.000 0.515 336 T N 1.961 116.658 114.554 0.237 0.000 2.452 336 T HA -0.255 4.096 4.350 0.001 0.000 0.251 336 T C 2.135 176.961 174.700 0.211 0.000 1.232 336 T CA 1.222 63.428 62.100 0.177 0.000 1.226 336 T CB -0.595 68.363 68.868 0.150 0.000 0.864 336 T HN 0.401 nan 8.240 nan 0.000 0.399 337 L N 0.346 121.711 121.223 0.237 0.000 2.166 337 L HA -0.219 4.121 4.340 0.001 0.000 0.228 337 L C 2.234 179.288 176.870 0.305 0.000 1.101 337 L CA 2.032 57.035 54.840 0.272 0.000 0.821 337 L CB -1.241 41.009 42.059 0.318 0.000 0.908 337 L HN 0.327 nan 8.230 nan 0.000 0.447 338 F N -0.330 119.705 119.950 0.142 0.000 2.187 338 F HA -0.090 4.437 4.527 0.000 0.000 0.295 338 F C 2.452 178.298 175.800 0.076 0.000 1.091 338 F CA 1.570 59.606 58.000 0.060 0.000 1.308 338 F CB -0.518 38.486 39.000 0.007 0.000 1.030 338 F HN 0.198 nan 8.300 nan 0.000 0.487 339 D N -0.098 120.478 120.400 0.294 0.000 2.103 339 D HA -0.145 4.495 4.640 0.001 0.000 0.199 339 D C 2.101 178.397 176.300 -0.008 0.000 0.978 339 D CA 1.048 55.131 54.000 0.139 0.000 0.829 339 D CB -0.342 40.512 40.800 0.090 0.000 0.981 339 D HN 0.337 nan 8.370 nan 0.000 0.464 340 E N 0.581 120.739 120.200 -0.071 0.000 2.136 340 E HA -0.161 4.190 4.350 0.001 0.000 0.202 340 E C 1.083 177.566 176.600 -0.195 0.000 1.019 340 E CA 0.814 57.019 56.400 -0.326 0.000 0.819 340 E CB -0.013 29.554 29.700 -0.223 0.000 0.739 340 E HN 0.270 nan 8.360 nan 0.000 0.458 341 N N -0.712 117.972 118.700 -0.026 0.000 2.276 341 N HA 0.104 4.844 4.740 0.001 0.000 0.212 341 N C 0.750 176.264 175.510 0.006 0.000 1.127 341 N CA 0.104 53.175 53.050 0.034 0.000 0.834 341 N CB 0.864 39.366 38.487 0.025 0.000 1.014 341 N HN 0.075 nan 8.380 nan 0.000 0.491 342 A N 0.780 123.601 122.820 0.002 0.000 1.861 342 A HA 0.480 4.800 4.320 0.001 0.000 0.212 342 A C 0.938 178.532 177.584 0.016 0.000 1.199 342 A CA 0.902 52.946 52.037 0.011 0.000 0.613 342 A CB 0.184 19.203 19.000 0.033 0.000 0.846 342 A HN 0.252 nan 8.150 nan 0.000 0.446 343 A N -1.418 121.419 122.820 0.028 0.000 2.606 343 A HA 0.585 4.905 4.320 0.001 0.000 0.293 343 A C -0.101 177.537 177.584 0.090 0.000 1.082 343 A CA -0.154 51.900 52.037 0.028 0.000 0.685 343 A CB 0.222 19.214 19.000 -0.013 0.000 1.284 343 A HN 0.567 nan 8.150 nan 0.000 0.408 344 S N 2.604 118.332 115.700 0.046 0.000 2.715 344 S HA 0.269 4.739 4.470 0.001 0.000 0.318 344 S C 0.128 174.737 174.600 0.015 0.000 1.242 344 S CA 0.855 59.075 58.200 0.034 0.000 1.044 344 S CB -0.476 62.725 63.200 0.002 0.000 0.760 344 S HN 0.966 nan 8.310 nan 0.000 0.501 345 H N -0.194 118.784 119.070 -0.153 0.000 2.977 345 H HA 0.790 5.346 4.556 0.001 0.000 0.350 345 H C -1.289 173.814 175.328 -0.375 0.000 1.238 345 H CA -1.234 54.642 56.048 -0.288 0.000 1.124 345 H CB 1.003 30.650 29.762 -0.193 0.000 1.866 345 H HN 0.466 nan 8.280 nan 0.000 0.550 346 I N 0.586 120.871 120.570 -0.475 0.000 2.785 346 I HA 0.668 4.838 4.170 0.001 0.000 0.302 346 I C -1.029 174.865 176.117 -0.372 0.000 1.069 346 I CA -0.537 60.435 61.300 -0.546 0.000 1.045 346 I CB 1.858 39.392 38.000 -0.778 0.000 1.236 346 I HN 0.942 nan 8.210 nan 0.000 0.429 347 A N 5.517 128.160 122.820 -0.295 0.000 2.398 347 A HA 0.744 5.064 4.320 0.001 0.000 0.301 347 A C -1.445 176.036 177.584 -0.172 0.000 1.041 347 A CA -0.408 51.526 52.037 -0.172 0.000 0.711 347 A CB 0.495 19.290 19.000 -0.342 0.000 1.240 347 A HN 0.413 nan 8.150 nan 0.000 0.420 348 F N 1.728 121.673 119.950 -0.008 0.000 2.389 348 F HA 0.618 5.145 4.527 0.001 0.000 0.337 348 F C 1.342 177.105 175.800 -0.062 0.000 1.112 348 F CA 1.360 59.351 58.000 -0.015 0.000 1.192 348 F CB 1.247 40.242 39.000 -0.008 0.000 1.185 348 F HN 1.285 nan 8.300 nan 0.000 0.552 349 G N 1.452 110.360 108.800 0.179 0.000 2.447 349 G HA2 -0.095 3.865 3.960 0.001 0.000 0.220 349 G HA3 -0.095 3.865 3.960 0.001 0.000 0.220 349 G C -0.966 174.017 174.900 0.138 0.000 1.261 349 G CA -1.069 44.114 45.100 0.138 0.000 1.000 349 G HN 0.749 nan 8.290 nan 0.000 0.515 350 Q N 0.276 120.167 119.800 0.152 0.000 2.310 350 Q HA 0.494 4.834 4.340 0.001 0.000 0.315 350 Q C 0.419 176.466 176.000 0.077 0.000 1.081 350 Q CA 1.249 57.126 55.803 0.123 0.000 0.981 350 Q CB 0.477 29.269 28.738 0.090 0.000 1.184 350 Q HN 1.872 nan 8.270 nan 0.000 0.389 351 A N 5.058 127.946 122.820 0.114 0.000 2.260 351 A HA 0.405 4.725 4.320 0.001 0.000 0.314 351 A C -1.327 176.376 177.584 0.199 0.000 1.257 351 A CA -0.612 51.468 52.037 0.071 0.000 0.871 351 A CB 0.302 19.357 19.000 0.092 0.000 1.166 351 A HN 0.688 nan 8.150 nan 0.000 0.522 352 Y N 2.063 122.425 120.300 0.104 0.000 2.802 352 Y HA -0.077 4.474 4.550 0.001 0.000 0.333 352 Y C 2.008 178.034 175.900 0.210 0.000 1.244 352 Y CA 0.733 58.901 58.100 0.114 0.000 1.558 352 Y CB 0.139 38.680 38.460 0.134 0.000 1.233 352 Y HN 0.880 nan 8.280 nan 0.000 0.547 353 Q N 1.508 121.528 119.800 0.367 0.000 2.508 353 Q HA -0.175 4.165 4.340 0.001 0.000 0.214 353 Q C 0.374 176.549 176.000 0.292 0.000 0.979 353 Q CA 1.648 57.672 55.803 0.369 0.000 0.911 353 Q CB -0.313 28.534 28.738 0.181 0.000 0.969 353 Q HN 0.830 nan 8.270 nan 0.000 0.504 354 E N 0.414 120.782 120.200 0.280 0.000 2.516 354 E HA -0.034 4.316 4.350 0.001 0.000 0.199 354 E C 0.642 177.368 176.600 0.209 0.000 1.069 354 E CA 0.313 56.856 56.400 0.238 0.000 0.876 354 E CB 0.009 29.874 29.700 0.275 0.000 0.843 354 E HN 0.419 nan 8.360 nan 0.000 0.530 355 N N 0.446 119.281 118.700 0.224 0.000 2.220 355 N HA 0.122 4.863 4.740 0.001 0.000 0.195 355 N C -0.207 175.365 175.510 0.103 0.000 1.123 355 N CA 0.167 53.300 53.050 0.140 0.000 0.874 355 N CB 0.882 39.452 38.487 0.140 0.000 0.995 355 N HN 0.173 nan 8.380 nan 0.000 0.498 356 L N 1.891 123.195 121.223 0.135 0.000 2.262 356 L HA 0.255 4.595 4.340 0.001 0.000 0.288 356 L C 0.659 177.589 176.870 0.100 0.000 1.035 356 L CA -0.450 54.448 54.840 0.097 0.000 0.820 356 L CB 1.362 43.478 42.059 0.094 0.000 1.204 356 L HN -0.008 nan 8.230 nan 0.000 0.424 357 E N 3.321 123.564 120.200 0.072 0.000 2.558 357 E HA 0.290 4.640 4.350 0.001 0.000 0.255 357 E C 0.505 177.140 176.600 0.060 0.000 0.968 357 E CA 0.850 57.287 56.400 0.061 0.000 0.939 357 E CB 0.482 30.203 29.700 0.036 0.000 0.921 357 E HN 0.804 nan 8.360 nan 0.000 0.477 363 E N 0.277 120.537 120.200 0.099 0.000 2.290 363 E HA 0.348 4.698 4.350 0.001 0.000 0.197 363 E C 2.379 179.055 176.600 0.126 0.000 0.948 363 E CA 0.534 56.995 56.400 0.103 0.000 0.895 363 E CB 0.535 30.275 29.700 0.068 0.000 0.865 363 E HN 0.346 nan 8.360 nan 0.000 0.486 364 A N 0.300 123.198 122.820 0.130 0.000 2.235 364 A HA -0.046 4.274 4.320 0.001 0.000 0.208 364 A C 1.564 179.246 177.584 0.164 0.000 1.172 364 A CA 0.327 52.437 52.037 0.121 0.000 0.786 364 A CB -0.426 18.633 19.000 0.099 0.000 0.804 364 A HN 0.253 nan 8.150 nan 0.000 0.479 365 F N 0.364 120.336 119.950 0.037 0.000 2.147 365 F HA 0.042 4.569 4.527 0.001 0.000 0.291 365 F C 2.181 178.001 175.800 0.033 0.000 1.093 365 F CA 1.505 59.528 58.000 0.038 0.000 1.263 365 F CB -0.087 38.933 39.000 0.033 0.000 1.036 365 F HN 0.209 nan 8.300 nan 0.000 0.481 366 R N 0.416 121.051 120.500 0.225 0.000 2.328 366 R HA -0.085 4.256 4.340 0.001 0.000 0.207 366 R C 1.676 177.996 176.300 0.034 0.000 1.056 366 R CA 0.986 57.147 56.100 0.101 0.000 1.016 366 R CB -0.057 30.326 30.300 0.138 0.000 0.872 366 R HN 0.293 nan 8.270 nan 0.000 0.471 367 K N -0.603 119.827 120.400 0.051 0.000 2.214 367 K HA 0.033 4.354 4.320 0.001 0.000 0.201 367 K C 1.956 178.596 176.600 0.067 0.000 1.049 367 K CA 0.252 56.575 56.287 0.060 0.000 0.978 367 K CB 0.123 32.663 32.500 0.066 0.000 0.842 367 K HN -0.001 nan 8.250 nan 0.000 0.474 368 R N -0.100 120.412 120.500 0.020 0.000 2.280 368 R HA -0.082 4.258 4.340 0.001 0.000 0.207 368 R C 0.547 176.887 176.300 0.066 0.000 1.043 368 R CA 1.212 57.324 56.100 0.020 0.000 1.006 368 R CB 0.216 30.494 30.300 -0.036 0.000 0.885 368 R HN 0.432 nan 8.270 nan 0.000 0.467 369 G N -1.444 107.328 108.800 -0.047 0.000 2.205 369 G HA2 -0.175 3.786 3.960 0.001 0.000 0.180 369 G HA3 -0.175 3.786 3.960 0.001 0.000 0.180 369 G C 0.205 174.866 174.900 -0.400 0.000 1.004 369 G CA -0.367 44.589 45.100 -0.240 0.000 0.670 369 G HN 0.543 nan 8.290 nan 0.000 0.496 370 G N 0.031 108.476 108.800 -0.593 0.000 2.441 370 G HA2 0.423 4.383 3.960 0.001 0.000 0.243 370 G HA3 0.423 4.383 3.960 0.001 0.000 0.243 370 G C -0.113 174.616 174.900 -0.285 0.000 1.281 370 G CA 0.447 45.010 45.100 -0.895 0.000 0.854 370 G HN 0.521 nan 8.290 nan 0.000 0.560 371 N N -0.065 118.601 118.700 -0.056 0.000 2.430 371 N HA 0.308 5.048 4.740 0.001 0.000 0.292 371 N C -0.647 174.994 175.510 0.218 0.000 1.051 371 N CA -0.603 52.484 53.050 0.061 0.000 0.917 371 N CB 1.587 40.071 38.487 -0.005 0.000 1.164 371 N HN 0.572 nan 8.380 nan 0.000 0.484 372 E N 2.372 122.679 120.200 0.179 0.000 2.176 372 E HA 0.572 4.922 4.350 0.001 0.000 0.267 372 E C -1.496 175.160 176.600 0.093 0.000 0.893 372 E CA -0.541 55.950 56.400 0.152 0.000 0.761 372 E CB 0.975 30.758 29.700 0.138 0.000 1.133 372 E HN 0.504 nan 8.360 nan 0.000 0.409 373 S N 3.214 118.961 115.700 0.078 0.000 2.655 373 S HA 0.247 4.717 4.470 0.001 0.000 0.266 373 S C -0.090 174.542 174.600 0.052 0.000 1.149 373 S CA -0.623 57.613 58.200 0.060 0.000 0.818 373 S CB 0.712 63.949 63.200 0.062 0.000 1.130 373 S HN 0.604 nan 8.310 nan 0.000 0.476 374 L N 1.466 122.714 121.223 0.041 0.000 2.202 374 L HA 0.260 4.600 4.340 0.001 0.000 0.205 374 L C 0.588 177.489 176.870 0.051 0.000 1.083 374 L CA 0.768 55.629 54.840 0.035 0.000 0.790 374 L CB 0.143 42.214 42.059 0.020 0.000 0.942 374 L HN 0.603 nan 8.230 nan 0.000 0.452 375 V N -3.223 116.724 119.914 0.055 0.000 2.617 375 V HA 0.363 4.484 4.120 0.001 0.000 0.298 375 V C -0.810 175.367 176.094 0.138 0.000 1.048 375 V CA -0.660 61.682 62.300 0.071 0.000 0.964 375 V CB 1.423 33.257 31.823 0.019 0.000 1.004 375 V HN 0.140 nan 8.190 nan 0.000 0.466 376 H N 2.203 121.292 119.070 0.032 0.000 2.761 376 H HA 0.664 5.220 4.556 0.001 0.000 0.263 376 H C -1.312 174.054 175.328 0.063 0.000 1.292 376 H CA -0.291 55.774 56.048 0.029 0.000 1.540 376 H CB 1.189 30.948 29.762 -0.006 0.000 1.569 376 H HN 0.685 nan 8.280 nan 0.000 0.510 377 V N 4.805 124.665 119.914 -0.090 0.000 2.370 377 V HA 0.236 4.357 4.120 0.001 0.000 0.279 377 V C -0.250 175.870 176.094 0.042 0.000 1.029 377 V CA -0.623 61.677 62.300 0.001 0.000 0.870 377 V CB 1.397 33.246 31.823 0.043 0.000 0.984 377 V HN 0.736 nan 8.190 nan 0.000 0.451 378 D N 5.788 126.216 120.400 0.046 0.000 2.303 378 D HA 0.366 5.006 4.640 0.001 0.000 0.236 378 D C -0.816 175.641 176.300 0.261 0.000 1.068 378 D CA -0.141 53.922 54.000 0.104 0.000 0.830 378 D CB 1.825 42.614 40.800 -0.017 0.000 1.109 378 D HN 0.632 nan 8.370 nan 0.000 0.496 379 W N 1.316 122.620 121.300 0.006 0.000 2.819 379 W HA 0.535 5.195 4.660 0.001 0.000 0.337 379 W C -1.094 175.430 176.519 0.008 0.000 1.077 379 W CA -1.339 56.011 57.345 0.008 0.000 1.226 379 W CB 0.141 29.634 29.460 0.054 0.000 1.419 379 W HN 0.017 nan 8.180 nan 0.000 0.502 380 M N 4.103 123.743 119.600 0.066 0.000 2.250 380 M HA 0.259 4.740 4.480 0.001 0.000 0.344 380 M C 1.126 177.320 176.300 -0.177 0.000 1.150 380 M CA -0.471 54.784 55.300 -0.075 0.000 1.147 380 M CB 0.854 33.439 32.600 -0.025 0.000 1.498 380 M HN 0.542 nan 8.290 nan 0.000 0.461 381 I N -1.734 118.671 120.570 -0.276 0.000 4.774 381 I HA 0.463 4.633 4.170 0.001 0.000 0.330 381 I C 0.903 176.916 176.117 -0.174 0.000 1.287 381 I CA -0.378 60.746 61.300 -0.293 0.000 1.311 381 I CB -0.083 37.589 38.000 -0.547 0.000 1.315 381 I HN 0.610 nan 8.210 nan 0.000 0.459 382 G N 2.195 110.914 108.800 -0.136 0.000 2.554 382 G HA2 0.420 4.380 3.960 0.001 0.000 0.238 382 G HA3 0.420 4.380 3.960 0.001 0.000 0.238 382 G C -0.138 174.726 174.900 -0.059 0.000 1.259 382 G CA 0.737 45.795 45.100 -0.070 0.000 0.843 382 G HN 0.642 nan 8.290 nan 0.000 0.582 383 S N -0.372 115.296 115.700 -0.053 0.000 2.757 383 S HA 0.325 4.796 4.470 0.001 0.000 0.285 383 S C 0.575 175.143 174.600 -0.053 0.000 1.196 383 S CA -0.249 57.922 58.200 -0.049 0.000 0.856 383 S CB 1.335 64.510 63.200 -0.041 0.000 1.212 383 S HN 0.527 nan 8.310 nan 0.000 0.516 384 E N 0.068 120.240 120.200 -0.046 0.000 2.427 384 E HA 0.081 4.431 4.350 0.001 0.000 0.196 384 E C 0.335 176.910 176.600 -0.043 0.000 1.028 384 E CA 0.640 57.014 56.400 -0.045 0.000 0.864 384 E CB 0.054 29.732 29.700 -0.036 0.000 0.813 384 E HN 0.609 nan 8.360 nan 0.000 0.514 385 E N 0.054 120.230 120.200 -0.040 0.000 2.869 385 E HA 0.082 4.432 4.350 0.001 0.000 0.207 385 E C -0.683 175.894 176.600 -0.039 0.000 0.986 385 E CA -0.306 56.073 56.400 -0.036 0.000 1.131 385 E CB 0.593 30.276 29.700 -0.028 0.000 1.098 385 E HN 0.081 nan 8.360 nan 0.000 0.459 386 M N 2.445 122.016 119.600 -0.048 0.000 2.063 386 M HA 0.196 4.677 4.480 0.001 0.000 0.348 386 M C -1.152 175.106 176.300 -0.071 0.000 1.180 386 M CA -0.417 54.857 55.300 -0.043 0.000 1.059 386 M CB 0.368 32.952 32.600 -0.027 0.000 1.544 386 M HN -0.211 nan 8.290 nan 0.000 0.447 387 D N 4.031 124.387 120.400 -0.073 0.000 2.210 387 D HA 0.507 5.147 4.640 0.001 0.000 0.249 387 D C -0.902 175.304 176.300 -0.158 0.000 1.062 387 D CA -0.062 53.880 54.000 -0.097 0.000 0.891 387 D CB 1.757 42.521 40.800 -0.060 0.000 1.186 387 D HN 0.396 nan 8.370 nan 0.000 0.432 388 V N 2.660 122.451 119.914 -0.205 0.000 2.577 388 V HA 0.273 4.394 4.120 0.001 0.000 0.303 388 V C -0.354 175.610 176.094 -0.216 0.000 1.042 388 V CA -0.851 61.248 62.300 -0.336 0.000 0.872 388 V CB 2.366 33.878 31.823 -0.519 0.000 0.998 388 V HN 0.429 nan 8.190 nan 0.000 0.423 389 D N 2.361 122.666 120.400 -0.158 0.000 2.414 389 D HA 0.691 5.331 4.640 0.001 0.000 0.241 389 D C -0.060 176.197 176.300 -0.073 0.000 1.008 389 D CA -0.217 53.767 54.000 -0.027 0.000 1.001 389 D CB 2.734 43.590 40.800 0.094 0.000 1.277 389 D HN 0.759 nan 8.370 nan 0.000 0.538 390 G N 0.439 109.273 108.800 0.056 0.000 2.609 390 G HA2 0.581 4.541 3.960 0.001 0.000 0.308 390 G HA3 0.581 4.541 3.960 0.001 0.000 0.308 390 G C -0.693 174.484 174.900 0.461 0.000 1.369 390 G CA -0.498 44.640 45.100 0.063 0.000 0.958 390 G HN 0.263 nan 8.290 nan 0.000 0.499 391 L N 1.373 122.816 121.223 0.367 0.000 2.334 391 L HA 0.547 4.888 4.340 0.001 0.000 0.275 391 L C -0.392 176.632 176.870 0.256 0.000 1.036 391 L CA -1.137 53.887 54.840 0.306 0.000 0.807 391 L CB 1.218 43.395 42.059 0.196 0.000 1.231 391 L HN 0.418 nan 8.230 nan 0.000 0.438 392 Y N -0.238 120.122 120.300 0.101 0.000 2.418 392 Y HA 0.091 4.641 4.550 0.001 0.000 0.327 392 Y C 1.396 177.333 175.900 0.062 0.000 1.309 392 Y CA -0.400 57.715 58.100 0.024 0.000 1.423 392 Y CB 0.631 39.045 38.460 -0.077 0.000 1.423 392 Y HN 0.619 nan 8.280 nan 0.000 0.532 393 E N 0.191 120.467 120.200 0.128 0.000 2.338 393 E HA -0.202 4.148 4.350 0.001 0.000 0.197 393 E C 0.537 177.124 176.600 -0.021 0.000 1.007 393 E CA 1.511 57.851 56.400 -0.100 0.000 0.849 393 E CB 0.006 29.544 29.700 -0.270 0.000 0.774 393 E HN 0.819 nan 8.360 nan 0.000 0.506 394 D N -2.243 118.177 120.400 0.033 0.000 2.346 394 D HA 0.085 4.725 4.640 0.001 0.000 0.206 394 D C 1.323 177.642 176.300 0.031 0.000 1.001 394 D CA 0.797 54.802 54.000 0.008 0.000 0.871 394 D CB 0.545 41.329 40.800 -0.026 0.000 0.943 394 D HN 0.215 nan 8.370 nan 0.000 0.518 395 G N -0.710 108.138 108.800 0.080 0.000 2.316 395 G HA2 -0.227 3.733 3.960 0.001 0.000 0.203 395 G HA3 -0.227 3.733 3.960 0.001 0.000 0.203 395 G C 0.438 175.386 174.900 0.079 0.000 0.999 395 G CA -0.034 45.110 45.100 0.072 0.000 0.649 395 G HN 0.368 nan 8.290 nan 0.000 0.489 396 T N 2.719 117.306 114.554 0.055 0.000 2.908 396 T HA 0.421 4.771 4.350 0.001 0.000 0.301 396 T C 0.595 175.403 174.700 0.180 0.000 1.019 396 T CA 0.859 62.974 62.100 0.024 0.000 1.152 396 T CB 0.373 69.141 68.868 -0.167 0.000 0.966 396 T HN 0.794 nan 8.240 nan 0.000 0.540 397 R N 0.931 121.520 120.500 0.148 0.000 2.437 397 R HA 0.576 4.917 4.340 0.001 0.000 0.310 397 R C -1.000 175.431 176.300 0.218 0.000 0.955 397 R CA -0.923 55.307 56.100 0.216 0.000 0.851 397 R CB 0.680 31.062 30.300 0.136 0.000 1.161 397 R HN 0.470 nan 8.270 nan 0.000 0.446 398 T N 2.412 117.159 114.554 0.323 0.000 2.749 398 T HA 0.339 4.690 4.350 0.001 0.000 0.287 398 T C -2.185 172.661 174.700 0.242 0.000 0.970 398 T CA -1.932 60.346 62.100 0.297 0.000 0.980 398 T CB 1.298 70.409 68.868 0.405 0.000 0.924 398 T HN 0.492 nan 8.240 nan 0.000 0.456 399 P HA 0.182 nan 4.420 nan 0.000 0.267 399 P C -0.010 177.369 177.300 0.132 0.000 1.205 399 P CA -0.277 62.890 63.100 0.111 0.000 0.765 399 P CB 1.255 33.003 31.700 0.081 0.000 0.828 400 L N 2.072 123.333 121.223 0.065 0.000 2.515 400 L HA 0.308 4.649 4.340 0.001 0.000 0.202 400 L C 1.258 178.152 176.870 0.041 0.000 1.056 400 L CA 0.716 55.613 54.840 0.094 0.000 0.847 400 L CB 0.129 42.165 42.059 -0.037 0.000 1.131 400 L HN 0.354 nan 8.230 nan 0.000 0.484 401 M N -0.643 118.895 119.600 -0.104 0.000 2.484 401 M HA 0.475 4.955 4.480 0.001 0.000 0.289 401 M C -1.374 174.855 176.300 -0.118 0.000 1.206 401 M CA -0.571 54.625 55.300 -0.174 0.000 0.892 401 M CB 2.969 35.343 32.600 -0.376 0.000 1.712 401 M HN -0.161 nan 8.290 nan 0.000 0.462 402 R N 1.240 121.684 120.500 -0.094 0.000 2.604 402 R HA 0.480 4.821 4.340 0.001 0.000 0.281 402 R C -0.612 175.649 176.300 -0.065 0.000 1.020 402 R CA -0.776 55.287 56.100 -0.063 0.000 0.899 402 R CB 1.869 32.153 30.300 -0.027 0.000 1.205 402 R HN 0.767 nan 8.270 nan 0.000 0.450 403 R N 0.881 121.347 120.500 -0.057 0.000 3.484 403 R HA -0.301 4.039 4.340 0.001 0.000 0.260 403 R C 0.671 176.931 176.300 -0.068 0.000 1.053 403 R CA 1.141 57.211 56.100 -0.051 0.000 0.703 403 R CB -1.412 28.868 30.300 -0.034 0.000 1.089 403 R HN 1.169 nan 8.270 nan 0.000 0.459 404 G N -0.843 107.897 108.800 -0.101 0.000 2.225 404 G HA2 -0.360 3.600 3.960 0.001 0.000 0.254 404 G HA3 -0.360 3.600 3.960 0.001 0.000 0.254 404 G C 0.214 175.005 174.900 -0.181 0.000 0.988 404 G CA 0.562 45.581 45.100 -0.136 0.000 0.625 404 G HN 0.419 nan 8.290 nan 0.000 0.527 405 R N -0.841 119.580 120.500 -0.131 0.000 2.573 405 R HA 0.508 4.848 4.340 0.001 0.000 0.272 405 R C -0.257 175.989 176.300 -0.091 0.000 1.009 405 R CA -0.784 55.257 56.100 -0.099 0.000 1.059 405 R CB 0.857 31.150 30.300 -0.012 0.000 1.112 405 R HN 0.209 nan 8.270 nan 0.000 0.517 406 W N 0.459 121.730 121.300 -0.049 0.000 2.170 406 W HA 0.106 4.767 4.660 0.000 0.000 0.336 406 W C 0.919 177.399 176.519 -0.066 0.000 1.283 406 W CA -0.362 56.944 57.345 -0.066 0.000 1.224 406 W CB 0.663 30.076 29.460 -0.079 0.000 1.132 406 W HN 0.285 nan 8.180 nan 0.000 0.571 407 V N 3.342 123.401 119.914 0.242 0.000 3.604 407 V HA 0.028 4.149 4.120 0.001 0.000 0.277 407 V C 0.541 176.663 176.094 0.046 0.000 1.399 407 V CA -0.103 62.262 62.300 0.108 0.000 1.034 407 V CB -0.795 31.072 31.823 0.074 0.000 0.824 407 V HN 0.605 nan 8.190 nan 0.000 0.439 408 V N 0.000 119.943 119.914 0.048 0.000 2.409 408 V HA 0.000 4.120 4.120 0.001 0.000 0.244 408 V CA 0.000 62.163 62.300 -0.228 0.000 1.235 408 V CB 0.000 31.642 31.823 -0.302 0.000 1.184 408 V HN 0.000 nan 8.190 nan 0.000 0.556