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 2nyl_1_D DATA FIRST_RESID 8 DATA SEQUENCE DSLYPIAVLI DELRNEDVQL RLNSIKKLST IALALGVERT RSELLPFLTD DATA SEQUENCE TIYDEDEVLL ALAEQLGTFT TLVGGPEYVH CLLPPLESLA TVEETVVRDK DATA SEQUENCE AVESLRAISH EHSPSDLEAH FVPLVKRLAG GDWFTSRTSA CGLFSVCYPR DATA SEQUENCE VSSAVKAELR QYFRNLCSDD TPXVRRAAAS KLGEFAKVLE LDNVKSEIIP DATA SEQUENCE XFSNLASDEQ DSVRLLAVEA CVNIAQLLPQ EDLEALVXPT LRQAAEDKSW DATA SEQUENCE RVRYXVADKF TELQKAVGPE ITKTDLVPAF QNLXKDCEAE VRAAASHKVK DATA SEQUENCE EFCENLSADC RENVIXSQIL PCIKELVSDA NQHVKSALAS VIXGLSPILG DATA SEQUENCE KDNTIEHLLP LFLAQLKDEC PEVRLNIISN LDCVNEVIGI RQLSQSLLPA DATA SEQUENCE IVELAEDAKW RVRLAIIEYX PLLAGQLGVE FFDEKLNSLC XAWLVDHVYA DATA SEQUENCE IREAATSNLK KLVEKFGKEW AHATIIPKVL AXSGDPNYLH RXTTLFCINV DATA SEQUENCE LSEVCGQDIT TKHXLPTVLR XAGDPVANVR FNVAKSLQKI GPILDNSTLQ DATA SEQUENCE SEVKPILEKL TQDQDVDVKY FAQEALTVLS LA 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 8 D HA 0.000 nan 4.640 nan 0.000 0.175 8 D C 0.000 176.250 176.300 -0.083 0.000 2.045 8 D CA 0.000 53.968 54.000 -0.053 0.000 0.868 8 D CB 0.000 40.767 40.800 -0.054 0.000 0.688 9 S N 0.184 115.835 115.700 -0.083 0.000 2.595 9 S HA 0.535 5.002 4.470 -0.005 0.000 0.281 9 S C -0.705 173.866 174.600 -0.049 0.000 1.117 9 S CA -0.584 57.538 58.200 -0.129 0.000 0.873 9 S CB 1.800 64.835 63.200 -0.276 0.000 1.108 9 S HN 0.079 nan 8.310 nan 0.000 0.477 10 L N 4.128 125.332 121.223 -0.031 0.000 2.728 10 L HA 0.430 4.767 4.340 -0.005 0.000 0.235 10 L C 0.743 177.724 176.870 0.186 0.000 1.197 10 L CA 0.397 55.270 54.840 0.054 0.000 0.992 10 L CB -0.744 41.341 42.059 0.043 0.000 1.263 10 L HN 0.870 nan 8.230 nan 0.000 0.484 11 Y N 0.861 121.156 120.300 -0.008 0.000 2.109 11 Y HA -0.134 4.413 4.550 -0.006 0.000 0.285 11 Y C -0.081 175.815 175.900 -0.006 0.000 1.131 11 Y CA 0.878 58.974 58.100 -0.008 0.000 1.121 11 Y CB -1.204 37.253 38.460 -0.006 0.000 0.987 11 Y HN 0.285 nan 8.280 nan 0.000 0.495 12 P HA -0.294 nan 4.420 nan 0.000 0.207 12 P C 1.444 178.777 177.300 0.054 0.000 1.115 12 P CA 1.975 65.125 63.100 0.083 0.000 0.956 12 P CB -0.330 31.410 31.700 0.067 0.000 0.774 13 I N 0.381 120.981 120.570 0.051 0.000 2.130 13 I HA -0.367 3.799 4.170 -0.005 0.000 0.241 13 I C 2.722 178.854 176.117 0.024 0.000 1.023 13 I CA 2.294 63.614 61.300 0.035 0.000 1.293 13 I CB -1.310 36.709 38.000 0.032 0.000 1.001 13 I HN 0.005 nan 8.210 nan 0.000 0.407 14 A N -0.368 122.473 122.820 0.035 0.000 2.104 14 A HA -0.225 4.091 4.320 -0.005 0.000 0.223 14 A C 2.448 180.016 177.584 -0.026 0.000 1.164 14 A CA 2.336 54.377 52.037 0.008 0.000 0.659 14 A CB -0.940 18.076 19.000 0.027 0.000 0.808 14 A HN 0.377 nan 8.150 nan 0.000 0.465 15 V N -0.387 119.515 119.914 -0.020 0.000 2.725 15 V HA -0.047 4.070 4.120 -0.005 0.000 0.247 15 V C 2.261 178.347 176.094 -0.014 0.000 1.058 15 V CA 1.175 63.456 62.300 -0.032 0.000 1.080 15 V CB -0.229 31.576 31.823 -0.031 0.000 0.713 15 V HN 0.599 nan 8.190 nan 0.000 0.465 16 L N -0.372 120.853 121.223 0.004 0.000 2.131 16 L HA -0.164 4.173 4.340 -0.005 0.000 0.210 16 L C 2.248 179.122 176.870 0.008 0.000 1.092 16 L CA 1.732 56.582 54.840 0.018 0.000 0.759 16 L CB -0.606 41.471 42.059 0.031 0.000 0.903 16 L HN 0.309 nan 8.230 nan 0.000 0.435 17 I N -0.223 120.337 120.570 -0.016 0.000 2.916 17 I HA -0.228 3.939 4.170 -0.005 0.000 0.267 17 I C 1.548 177.612 176.117 -0.088 0.000 1.263 17 I CA 0.932 62.198 61.300 -0.057 0.000 1.471 17 I CB -0.214 37.748 38.000 -0.062 0.000 1.089 17 I HN 0.223 nan 8.210 nan 0.000 0.468 18 D N 0.315 120.682 120.400 -0.053 0.000 2.422 18 D HA -0.025 4.612 4.640 -0.005 0.000 0.218 18 D C 1.525 177.813 176.300 -0.021 0.000 1.047 18 D CA 0.541 54.508 54.000 -0.054 0.000 0.885 18 D CB 0.338 41.106 40.800 -0.054 0.000 1.035 18 D HN 0.211 nan 8.370 nan 0.000 0.502 19 E N 0.044 120.246 120.200 0.003 0.000 2.437 19 E HA 0.111 4.458 4.350 -0.005 0.000 0.189 19 E C 1.361 178.006 176.600 0.074 0.000 1.054 19 E CA -0.068 56.351 56.400 0.031 0.000 0.874 19 E CB 0.484 30.201 29.700 0.029 0.000 1.011 19 E HN 0.326 nan 8.360 nan 0.000 0.474 20 L N 0.782 122.062 121.223 0.095 0.000 2.492 20 L HA 0.026 4.363 4.340 -0.005 0.000 0.223 20 L C 1.913 178.939 176.870 0.259 0.000 1.132 20 L CA 0.713 55.684 54.840 0.218 0.000 0.850 20 L CB -0.034 42.197 42.059 0.287 0.000 0.966 20 L HN 0.167 nan 8.230 nan 0.000 0.454 21 R N -2.016 118.570 120.500 0.143 0.000 2.572 21 R HA 0.107 4.444 4.340 -0.005 0.000 0.370 21 R C 1.085 177.412 176.300 0.045 0.000 1.005 21 R CA -0.037 56.126 56.100 0.104 0.000 1.146 21 R CB -0.408 29.956 30.300 0.106 0.000 1.390 21 R HN 0.006 nan 8.270 nan 0.000 0.553 22 N N 2.760 121.487 118.700 0.045 0.000 2.037 22 N HA -0.310 4.427 4.740 -0.005 0.000 0.196 22 N C 0.648 176.168 175.510 0.016 0.000 1.034 22 N CA 2.613 55.678 53.050 0.025 0.000 0.861 22 N CB 0.084 38.589 38.487 0.030 0.000 1.039 22 N HN 0.576 nan 8.380 nan 0.000 0.427 23 E N -2.875 117.336 120.200 0.019 0.000 4.377 23 E HA -0.191 4.156 4.350 -0.005 0.000 0.393 23 E C -1.208 175.399 176.600 0.012 0.000 0.583 23 E CA 0.751 57.155 56.400 0.007 0.000 1.506 23 E CB -1.823 27.874 29.700 -0.004 0.000 1.881 23 E HN 0.453 nan 8.360 nan 0.000 0.344 24 D N 0.782 121.195 120.400 0.020 0.000 2.781 24 D HA 0.211 4.847 4.640 -0.005 0.000 0.254 24 D C 1.466 177.785 176.300 0.031 0.000 1.213 24 D CA 0.427 54.439 54.000 0.020 0.000 0.994 24 D CB 0.381 41.191 40.800 0.017 0.000 1.019 24 D HN 0.090 nan 8.370 nan 0.000 0.514 25 V N 1.726 121.661 119.914 0.036 0.000 2.408 25 V HA -0.471 3.646 4.120 -0.005 0.000 0.236 25 V C 2.481 178.605 176.094 0.050 0.000 1.064 25 V CA 2.657 64.988 62.300 0.052 0.000 1.095 25 V CB -1.353 30.495 31.823 0.042 0.000 0.921 25 V HN 0.519 nan 8.190 nan 0.000 0.474 26 Q N -0.409 119.412 119.800 0.035 0.000 2.142 26 Q HA -0.247 4.089 4.340 -0.005 0.000 0.213 26 Q C 1.858 177.879 176.000 0.036 0.000 1.004 26 Q CA 2.672 58.494 55.803 0.031 0.000 0.883 26 Q CB -0.562 28.190 28.738 0.022 0.000 0.939 26 Q HN 0.731 nan 8.270 nan 0.000 0.413 27 L N -0.683 120.562 121.223 0.038 0.000 1.973 27 L HA -0.128 4.208 4.340 -0.005 0.000 0.208 27 L C 2.663 179.568 176.870 0.058 0.000 1.073 27 L CA 1.541 56.405 54.840 0.041 0.000 0.746 27 L CB -0.549 41.531 42.059 0.036 0.000 0.891 27 L HN 0.228 nan 8.230 nan 0.000 0.433 28 R N -0.182 120.363 120.500 0.076 0.000 2.198 28 R HA -0.282 4.055 4.340 -0.005 0.000 0.258 28 R C 2.151 178.519 176.300 0.114 0.000 1.173 28 R CA 1.859 58.031 56.100 0.120 0.000 0.991 28 R CB -0.574 29.816 30.300 0.149 0.000 0.879 28 R HN 0.217 nan 8.270 nan 0.000 0.460 29 L N 1.362 122.632 121.223 0.078 0.000 1.948 29 L HA -0.239 4.097 4.340 -0.005 0.000 0.212 29 L C 2.150 179.045 176.870 0.041 0.000 1.074 29 L CA 2.116 56.986 54.840 0.049 0.000 0.753 29 L CB -0.936 41.144 42.059 0.034 0.000 0.888 29 L HN 0.212 nan 8.230 nan 0.000 0.432 30 N N -0.518 118.206 118.700 0.040 0.000 2.037 30 N HA -0.263 4.473 4.740 -0.005 0.000 0.196 30 N C 1.692 177.230 175.510 0.047 0.000 1.034 30 N CA 2.330 55.402 53.050 0.037 0.000 0.861 30 N CB -0.302 38.205 38.487 0.034 0.000 1.039 30 N HN 0.515 nan 8.380 nan 0.000 0.427 31 S N 0.261 115.997 115.700 0.059 0.000 2.440 31 S HA -0.062 4.404 4.470 -0.005 0.000 0.240 31 S C 1.853 176.503 174.600 0.084 0.000 1.014 31 S CA 0.600 58.843 58.200 0.071 0.000 0.980 31 S CB 0.034 63.283 63.200 0.082 0.000 0.775 31 S HN 0.398 nan 8.310 nan 0.000 0.499 32 I N 0.516 121.128 120.570 0.069 0.000 3.081 32 I HA 0.121 4.287 4.170 -0.005 0.000 0.274 32 I C 2.074 178.204 176.117 0.022 0.000 1.178 32 I CA 0.721 62.046 61.300 0.041 0.000 1.460 32 I CB -0.448 37.536 38.000 -0.026 0.000 1.137 32 I HN 0.181 nan 8.210 nan 0.000 0.443 33 K N 1.125 121.539 120.400 0.023 0.000 2.442 33 K HA -0.091 4.226 4.320 -0.005 0.000 0.198 33 K C 1.321 177.947 176.600 0.043 0.000 1.042 33 K CA 0.960 57.259 56.287 0.020 0.000 0.958 33 K CB 0.243 32.754 32.500 0.019 0.000 0.766 33 K HN 0.179 nan 8.250 nan 0.000 0.474 34 K N -0.258 120.178 120.400 0.060 0.000 2.402 34 K HA 0.063 4.380 4.320 -0.005 0.000 0.204 34 K C 0.829 177.497 176.600 0.113 0.000 1.056 34 K CA -0.155 56.176 56.287 0.074 0.000 1.069 34 K CB 0.425 32.960 32.500 0.057 0.000 0.888 34 K HN -0.025 nan 8.250 nan 0.000 0.546 35 L N 1.938 123.243 121.223 0.137 0.000 2.696 35 L HA -0.280 4.057 4.340 -0.005 0.000 0.235 35 L C 1.644 178.757 176.870 0.406 0.000 1.180 35 L CA 1.602 56.578 54.840 0.227 0.000 0.817 35 L CB -0.530 41.633 42.059 0.175 0.000 0.947 35 L HN 0.167 nan 8.230 nan 0.000 0.455 36 S N -3.201 112.679 115.700 0.299 0.000 2.412 36 S HA -0.074 4.393 4.470 -0.005 0.000 0.223 36 S C 1.692 176.288 174.600 -0.007 0.000 1.048 36 S CA 0.635 58.924 58.200 0.148 0.000 0.954 36 S CB -0.944 62.355 63.200 0.166 0.000 0.840 36 S HN 0.598 nan 8.310 nan 0.000 0.503 37 T N -0.605 113.968 114.554 0.032 0.000 3.496 37 T HA 0.282 4.629 4.350 -0.005 0.000 0.253 37 T C 0.850 175.555 174.700 0.008 0.000 1.134 37 T CA 0.208 62.310 62.100 0.004 0.000 0.993 37 T CB -0.684 68.194 68.868 0.016 0.000 1.018 37 T HN 0.270 nan 8.240 nan 0.000 0.571 38 I N -0.274 120.307 120.570 0.019 0.000 4.471 38 I HA 0.470 4.636 4.170 -0.005 0.000 0.326 38 I C 2.347 178.460 176.117 -0.007 0.000 1.300 38 I CA 0.185 61.499 61.300 0.023 0.000 1.237 38 I CB -0.055 37.984 38.000 0.065 0.000 1.195 38 I HN 0.302 nan 8.210 nan 0.000 0.427 39 A N 0.023 122.807 122.820 -0.059 0.000 2.178 39 A HA 0.118 4.435 4.320 -0.005 0.000 0.211 39 A C 1.911 179.389 177.584 -0.177 0.000 1.157 39 A CA 0.713 52.650 52.037 -0.168 0.000 0.780 39 A CB -0.228 18.463 19.000 -0.515 0.000 0.828 39 A HN 0.285 nan 8.150 nan 0.000 0.476 40 L N -0.315 120.830 121.223 -0.131 0.000 2.046 40 L HA 0.318 4.654 4.340 -0.005 0.000 0.203 40 L C 2.449 179.279 176.870 -0.065 0.000 1.111 40 L CA 2.121 56.900 54.840 -0.102 0.000 0.769 40 L CB -1.248 40.765 42.059 -0.076 0.000 0.914 40 L HN 0.205 nan 8.230 nan 0.000 0.448 41 A N -0.617 122.179 122.820 -0.041 0.000 2.148 41 A HA -0.201 4.116 4.320 -0.005 0.000 0.222 41 A C 2.164 179.731 177.584 -0.028 0.000 1.161 41 A CA 2.077 54.099 52.037 -0.026 0.000 0.662 41 A CB -0.933 18.062 19.000 -0.009 0.000 0.799 41 A HN 0.540 nan 8.150 nan 0.000 0.466 42 L N -1.392 119.808 121.223 -0.039 0.000 2.034 42 L HA 0.299 4.636 4.340 -0.005 0.000 0.203 42 L C 1.325 178.167 176.870 -0.047 0.000 1.074 42 L CA 1.854 56.672 54.840 -0.037 0.000 0.748 42 L CB -0.467 41.570 42.059 -0.036 0.000 0.905 42 L HN 0.754 nan 8.230 nan 0.000 0.439 43 G N -1.123 107.638 108.800 -0.066 0.000 2.860 43 G HA2 -0.113 3.844 3.960 -0.005 0.000 0.547 43 G HA3 -0.113 3.844 3.960 -0.005 0.000 0.547 43 G C 0.498 175.348 174.900 -0.083 0.000 1.103 43 G CA 0.455 45.513 45.100 -0.070 0.000 1.126 43 G HN 0.581 nan 8.290 nan 0.000 0.490 44 V N 2.207 122.058 119.914 -0.106 0.000 2.408 44 V HA -0.464 3.652 4.120 -0.005 0.000 0.231 44 V C 2.448 178.464 176.094 -0.130 0.000 1.017 44 V CA 3.835 66.059 62.300 -0.126 0.000 1.102 44 V CB -0.908 30.833 31.823 -0.136 0.000 0.904 44 V HN 1.618 nan 8.190 nan 0.000 0.489 45 E N -1.025 119.094 120.200 -0.135 0.000 2.279 45 E HA -0.296 4.051 4.350 -0.005 0.000 0.205 45 E C 2.234 178.781 176.600 -0.087 0.000 1.028 45 E CA 2.213 58.533 56.400 -0.132 0.000 0.830 45 E CB -0.126 29.514 29.700 -0.099 0.000 0.736 45 E HN 0.752 nan 8.360 nan 0.000 0.478 46 R N -0.959 119.502 120.500 -0.064 0.000 2.064 46 R HA 0.024 4.360 4.340 -0.005 0.000 0.221 46 R C 2.509 178.796 176.300 -0.022 0.000 1.136 46 R CA 1.402 57.480 56.100 -0.036 0.000 0.980 46 R CB -0.786 29.495 30.300 -0.031 0.000 0.876 46 R HN 0.185 nan 8.270 nan 0.000 0.437 47 T N 1.827 116.362 114.554 -0.031 0.000 2.649 47 T HA -0.204 4.143 4.350 -0.005 0.000 0.268 47 T C 1.923 176.641 174.700 0.029 0.000 1.036 47 T CA 1.649 63.751 62.100 0.002 0.000 1.157 47 T CB -0.207 68.636 68.868 -0.043 0.000 0.861 47 T HN 0.303 nan 8.240 nan 0.000 0.445 48 R N 1.099 121.587 120.500 -0.020 0.000 2.081 48 R HA -0.051 4.285 4.340 -0.005 0.000 0.235 48 R C 2.853 179.168 176.300 0.025 0.000 1.131 48 R CA 1.722 57.819 56.100 -0.006 0.000 0.960 48 R CB -0.412 29.827 30.300 -0.102 0.000 0.856 48 R HN 0.523 nan 8.270 nan 0.000 0.436 49 S N -0.546 115.158 115.700 0.006 0.000 2.593 49 S HA 0.070 4.537 4.470 -0.005 0.000 0.217 49 S C 1.107 175.732 174.600 0.042 0.000 0.966 49 S CA 0.222 58.436 58.200 0.024 0.000 0.914 49 S CB 0.316 63.519 63.200 0.005 0.000 0.776 49 S HN 0.319 nan 8.310 nan 0.000 0.523 50 E N -0.092 120.140 120.200 0.053 0.000 3.701 50 E HA 0.212 4.559 4.350 -0.005 0.000 0.206 50 E C 1.405 178.079 176.600 0.124 0.000 1.229 50 E CA 0.164 56.605 56.400 0.068 0.000 1.573 50 E CB -0.529 29.187 29.700 0.027 0.000 1.449 50 E HN 0.273 nan 8.360 nan 0.000 0.618 51 L N 2.098 123.395 121.223 0.123 0.000 2.127 51 L HA -0.074 4.263 4.340 -0.005 0.000 0.211 51 L C 1.875 178.908 176.870 0.271 0.000 1.089 51 L CA 1.531 56.495 54.840 0.208 0.000 0.757 51 L CB -0.252 41.918 42.059 0.184 0.000 0.899 51 L HN 0.134 nan 8.230 nan 0.000 0.434 52 L N -0.600 120.742 121.223 0.200 0.000 2.049 52 L HA -0.041 4.296 4.340 -0.005 0.000 0.203 52 L C -0.058 176.902 176.870 0.150 0.000 1.074 52 L CA 0.983 55.924 54.840 0.169 0.000 0.749 52 L CB -1.709 40.437 42.059 0.146 0.000 0.907 52 L HN 0.181 nan 8.230 nan 0.000 0.439 53 P HA -0.234 nan 4.420 nan 0.000 0.222 53 P C 1.228 178.627 177.300 0.165 0.000 1.142 53 P CA 1.479 64.655 63.100 0.126 0.000 0.788 53 P CB -0.022 31.745 31.700 0.112 0.000 0.767 54 F N -0.594 119.391 119.950 0.059 0.000 2.220 54 F HA 0.038 4.562 4.527 -0.006 0.000 0.290 54 F C 1.768 177.623 175.800 0.092 0.000 1.080 54 F CA 1.003 59.042 58.000 0.064 0.000 1.318 54 F CB -0.835 38.205 39.000 0.066 0.000 1.063 54 F HN -0.294 nan 8.300 nan 0.000 0.498 55 L N -0.068 121.093 121.223 -0.103 0.000 2.201 55 L HA -0.158 4.179 4.340 -0.005 0.000 0.212 55 L C 2.277 179.072 176.870 -0.126 0.000 1.105 55 L CA 1.487 56.200 54.840 -0.212 0.000 0.775 55 L CB -0.957 41.085 42.059 -0.029 0.000 0.913 55 L HN 0.214 nan 8.230 nan 0.000 0.440 56 T N -1.068 113.459 114.554 -0.045 0.000 2.770 56 T HA -0.124 4.223 4.350 -0.005 0.000 0.263 56 T C 1.053 175.729 174.700 -0.040 0.000 1.039 56 T CA 1.152 63.239 62.100 -0.021 0.000 1.142 56 T CB -0.084 68.796 68.868 0.021 0.000 0.868 56 T HN 0.285 nan 8.240 nan 0.000 0.435 57 D N 1.605 121.978 120.400 -0.046 0.000 2.352 57 D HA 0.103 4.740 4.640 -0.005 0.000 0.236 57 D C -0.229 176.012 176.300 -0.097 0.000 1.148 57 D CA 0.326 54.299 54.000 -0.044 0.000 0.844 57 D CB 0.177 40.977 40.800 0.001 0.000 0.933 57 D HN 0.253 nan 8.370 nan 0.000 0.507 58 T N 1.340 115.799 114.554 -0.159 0.000 2.864 58 T HA 0.350 4.696 4.350 -0.005 0.000 0.310 58 T C 0.660 175.301 174.700 -0.099 0.000 1.040 58 T CA -0.482 61.486 62.100 -0.219 0.000 0.977 58 T CB 1.224 69.796 68.868 -0.493 0.000 0.976 58 T HN -0.029 nan 8.240 nan 0.000 0.459 59 I N 4.159 124.662 120.570 -0.112 0.000 2.494 59 I HA 0.145 4.311 4.170 -0.005 0.000 0.289 59 I C -0.344 175.714 176.117 -0.098 0.000 1.106 59 I CA -0.152 61.115 61.300 -0.054 0.000 1.369 59 I CB 0.042 38.004 38.000 -0.063 0.000 1.410 59 I HN 0.527 nan 8.210 nan 0.000 0.523 60 Y N 5.469 125.713 120.300 -0.093 0.000 2.334 60 Y HA 0.145 4.691 4.550 -0.006 0.000 0.328 60 Y C 1.032 176.895 175.900 -0.062 0.000 1.130 60 Y CA -0.256 57.799 58.100 -0.075 0.000 1.163 60 Y CB 1.028 39.441 38.460 -0.078 0.000 1.207 60 Y HN 0.526 nan 8.280 nan 0.000 0.471 61 D N 0.902 121.347 120.400 0.076 0.000 2.454 61 D HA -0.024 4.613 4.640 -0.005 0.000 0.247 61 D C -0.278 176.049 176.300 0.045 0.000 1.143 61 D CA 0.573 54.591 54.000 0.030 0.000 0.972 61 D CB -0.250 40.547 40.800 -0.004 0.000 1.070 61 D HN 0.617 nan 8.370 nan 0.000 0.433 62 E N 2.372 122.604 120.200 0.053 0.000 3.056 62 E HA -0.109 4.237 4.350 -0.005 0.000 0.264 62 E C 0.269 176.889 176.600 0.034 0.000 0.899 62 E CA 0.435 56.861 56.400 0.043 0.000 0.966 62 E CB 0.260 29.996 29.700 0.061 0.000 0.913 62 E HN 0.117 nan 8.360 nan 0.000 0.522 63 D N 2.969 123.375 120.400 0.009 0.000 2.123 63 D HA -0.149 4.488 4.640 -0.005 0.000 0.200 63 D C 1.598 177.891 176.300 -0.011 0.000 0.976 63 D CA 1.315 55.311 54.000 -0.006 0.000 0.831 63 D CB -0.117 40.676 40.800 -0.012 0.000 0.974 63 D HN 0.735 nan 8.370 nan 0.000 0.469 64 E N 0.818 121.016 120.200 -0.003 0.000 2.108 64 E HA -0.205 4.142 4.350 -0.005 0.000 0.203 64 E C 1.998 178.587 176.600 -0.019 0.000 1.022 64 E CA 1.375 57.770 56.400 -0.007 0.000 0.823 64 E CB -0.124 29.578 29.700 0.003 0.000 0.744 64 E HN -0.015 nan 8.360 nan 0.000 0.456 65 V N 0.585 120.492 119.914 -0.012 0.000 2.261 65 V HA -0.257 3.860 4.120 -0.005 0.000 0.246 65 V C 2.477 178.495 176.094 -0.126 0.000 1.047 65 V CA 1.851 64.124 62.300 -0.046 0.000 1.015 65 V CB -0.435 31.401 31.823 0.022 0.000 0.642 65 V HN 0.383 nan 8.190 nan 0.000 0.446 66 L N -0.814 120.349 121.223 -0.102 0.000 2.013 66 L HA -0.229 4.108 4.340 -0.005 0.000 0.212 66 L C 2.480 179.283 176.870 -0.112 0.000 1.073 66 L CA 1.524 56.286 54.840 -0.130 0.000 0.753 66 L CB -0.556 41.464 42.059 -0.066 0.000 0.890 66 L HN 0.379 nan 8.230 nan 0.000 0.432 67 L N 0.089 121.269 121.223 -0.072 0.000 2.012 67 L HA -0.185 4.152 4.340 -0.005 0.000 0.210 67 L C 2.632 179.458 176.870 -0.072 0.000 1.073 67 L CA 2.151 56.956 54.840 -0.058 0.000 0.748 67 L CB -1.063 40.974 42.059 -0.036 0.000 0.891 67 L HN 0.176 nan 8.230 nan 0.000 0.431 68 A N -0.304 122.469 122.820 -0.078 0.000 1.859 68 A HA -0.270 4.047 4.320 -0.005 0.000 0.217 68 A C 2.289 179.801 177.584 -0.120 0.000 1.198 68 A CA 2.265 54.253 52.037 -0.081 0.000 0.629 68 A CB -1.313 17.644 19.000 -0.073 0.000 0.830 68 A HN 0.530 nan 8.150 nan 0.000 0.446 69 L N -0.325 120.791 121.223 -0.179 0.000 2.127 69 L HA -0.084 4.252 4.340 -0.005 0.000 0.211 69 L C 2.559 179.311 176.870 -0.197 0.000 1.089 69 L CA 2.209 56.911 54.840 -0.229 0.000 0.757 69 L CB -0.819 41.040 42.059 -0.335 0.000 0.899 69 L HN 0.370 nan 8.230 nan 0.000 0.434 70 A N -1.101 121.631 122.820 -0.147 0.000 1.930 70 A HA -0.189 4.128 4.320 -0.005 0.000 0.217 70 A C 2.328 179.857 177.584 -0.092 0.000 1.175 70 A CA 1.570 53.542 52.037 -0.107 0.000 0.627 70 A CB -0.587 18.369 19.000 -0.073 0.000 0.815 70 A HN 0.573 nan 8.150 nan 0.000 0.443 71 E N -0.699 119.451 120.200 -0.083 0.000 2.028 71 E HA -0.229 4.118 4.350 -0.005 0.000 0.191 71 E C 2.229 178.783 176.600 -0.076 0.000 0.988 71 E CA 1.465 57.831 56.400 -0.058 0.000 0.799 71 E CB -0.140 29.536 29.700 -0.039 0.000 0.755 71 E HN 0.552 nan 8.360 nan 0.000 0.447 72 Q N 0.974 120.704 119.800 -0.117 0.000 1.935 72 Q HA -0.167 4.170 4.340 -0.005 0.000 0.212 72 Q C 2.344 178.159 176.000 -0.308 0.000 1.008 72 Q CA 1.717 57.419 55.803 -0.169 0.000 0.868 72 Q CB -0.764 27.831 28.738 -0.239 0.000 0.946 72 Q HN 0.327 nan 8.270 nan 0.000 0.418 73 L N -0.339 120.604 121.223 -0.466 0.000 2.408 73 L HA -0.267 4.069 4.340 -0.005 0.000 0.220 73 L C 1.921 178.702 176.870 -0.148 0.000 1.112 73 L CA 1.046 55.619 54.840 -0.444 0.000 0.782 73 L CB -0.720 41.170 42.059 -0.281 0.000 0.898 73 L HN 0.443 nan 8.230 nan 0.000 0.442 74 G N -1.453 107.306 108.800 -0.068 0.000 2.650 74 G HA2 -0.155 3.802 3.960 -0.005 0.000 0.214 74 G HA3 -0.155 3.802 3.960 -0.005 0.000 0.214 74 G C 1.506 176.453 174.900 0.078 0.000 1.136 74 G CA 0.964 46.077 45.100 0.021 0.000 0.789 74 G HN 0.487 nan 8.290 nan 0.000 0.536 75 T N -3.218 111.413 114.554 0.128 0.000 3.001 75 T HA 0.199 4.545 4.350 -0.005 0.000 0.251 75 T C 1.436 176.344 174.700 0.347 0.000 1.040 75 T CA -0.376 61.849 62.100 0.208 0.000 0.985 75 T CB -0.235 68.745 68.868 0.188 0.000 1.011 75 T HN -0.043 nan 8.240 nan 0.000 0.509 76 F N 3.655 123.620 119.950 0.025 0.000 2.753 76 F HA 0.124 4.647 4.527 -0.008 0.000 0.299 76 F C 2.092 177.904 175.800 0.021 0.000 1.265 76 F CA -0.475 57.538 58.000 0.022 0.000 1.453 76 F CB -1.585 37.432 39.000 0.027 0.000 1.118 76 F HN 0.263 nan 8.300 nan 0.000 0.579 77 T N -1.546 113.118 114.554 0.183 0.000 2.635 77 T HA -0.231 4.115 4.350 -0.005 0.000 0.267 77 T C 2.082 176.814 174.700 0.053 0.000 1.040 77 T CA 2.233 64.392 62.100 0.099 0.000 1.156 77 T CB -0.585 68.327 68.868 0.074 0.000 0.863 77 T HN 0.270 nan 8.240 nan 0.000 0.430 78 T N 2.694 117.266 114.554 0.031 0.000 2.698 78 T HA 0.029 4.376 4.350 -0.005 0.000 0.260 78 T C 1.895 176.563 174.700 -0.053 0.000 1.044 78 T CA 0.845 62.939 62.100 -0.010 0.000 1.149 78 T CB -0.565 68.291 68.868 -0.020 0.000 0.864 78 T HN 0.112 nan 8.240 nan 0.000 0.419 79 L N 1.189 122.335 121.223 -0.129 0.000 2.349 79 L HA 0.042 4.378 4.340 -0.005 0.000 0.220 79 L C 2.339 179.101 176.870 -0.180 0.000 1.130 79 L CA 0.772 55.468 54.840 -0.240 0.000 0.791 79 L CB -1.024 40.700 42.059 -0.559 0.000 0.918 79 L HN 0.131 nan 8.230 nan 0.000 0.444 80 V N -0.419 119.454 119.914 -0.068 0.000 3.461 80 V HA 0.274 4.391 4.120 -0.005 0.000 0.267 80 V C 1.499 177.557 176.094 -0.058 0.000 1.186 80 V CA 1.013 63.303 62.300 -0.018 0.000 1.154 80 V CB -0.135 31.739 31.823 0.085 0.000 0.802 80 V HN 0.667 nan 8.190 nan 0.000 0.474 81 G N -1.108 107.670 108.800 -0.036 0.000 2.148 81 G HA2 0.222 4.179 3.960 -0.005 0.000 0.157 81 G HA3 0.222 4.179 3.960 -0.005 0.000 0.157 81 G C 0.908 175.878 174.900 0.117 0.000 1.012 81 G CA 0.007 45.105 45.100 -0.004 0.000 0.677 81 G HN 1.900 nan 8.290 nan 0.000 0.506 82 G N -0.988 107.853 108.800 0.070 0.000 2.730 82 G HA2 0.201 4.157 3.960 -0.005 0.000 0.686 82 G HA3 0.201 4.157 3.960 -0.005 0.000 0.686 82 G C -0.914 173.996 174.900 0.015 0.000 1.343 82 G CA 0.068 45.195 45.100 0.045 0.000 0.826 82 G HN 0.530 nan 8.290 nan 0.000 0.582 83 P HA -0.150 nan 4.420 nan 0.000 0.219 83 P C 1.491 178.661 177.300 -0.217 0.000 1.151 83 P CA 1.839 64.868 63.100 -0.118 0.000 0.850 83 P CB 0.095 31.746 31.700 -0.082 0.000 0.784 84 E N -2.268 117.786 120.200 -0.244 0.000 2.267 84 E HA -0.205 4.142 4.350 -0.005 0.000 0.197 84 E C 0.872 176.957 176.600 -0.858 0.000 0.998 84 E CA 1.056 57.153 56.400 -0.506 0.000 0.830 84 E CB -0.131 29.221 29.700 -0.580 0.000 0.751 84 E HN 0.402 nan 8.360 nan 0.000 0.491 85 Y N -2.444 117.674 120.300 -0.303 0.000 2.467 85 Y HA 0.074 4.629 4.550 0.008 0.000 0.259 85 Y C 1.810 177.379 175.900 -0.551 0.000 1.084 85 Y CA -0.081 57.721 58.100 -0.496 0.000 1.275 85 Y CB 0.188 38.501 38.460 -0.245 0.000 1.208 85 Y HN -0.159 nan 8.280 nan 0.000 0.511 86 V N 1.830 121.606 119.914 -0.231 0.000 2.402 86 V HA -0.414 3.703 4.120 -0.005 0.000 0.264 86 V C 2.156 178.158 176.094 -0.153 0.000 1.112 86 V CA 2.825 65.014 62.300 -0.185 0.000 1.110 86 V CB -0.570 31.088 31.823 -0.275 0.000 0.689 86 V HN 0.797 nan 8.190 nan 0.000 0.459 87 H N -2.675 116.300 119.070 -0.159 0.000 2.567 87 H HA -0.018 4.533 4.556 -0.008 0.000 0.281 87 H C 1.651 177.111 175.328 0.220 0.000 1.055 87 H CA 1.056 57.156 56.048 0.086 0.000 1.185 87 H CB -1.536 28.287 29.762 0.102 0.000 1.325 87 H HN 0.494 nan 8.280 nan 0.000 0.622 88 C N -0.415 119.063 119.300 0.296 0.000 2.551 88 C HA 0.160 4.616 4.460 -0.005 0.000 0.277 88 C C 1.983 177.103 174.990 0.217 0.000 1.349 88 C CA -0.187 59.005 59.018 0.291 0.000 1.750 88 C CB -0.628 27.225 27.740 0.188 0.000 2.058 88 C HN 0.503 nan 8.230 nan 0.000 0.518 89 L N 0.762 122.104 121.223 0.199 0.000 2.610 89 L HA 0.058 4.395 4.340 -0.005 0.000 0.232 89 L C 2.041 179.004 176.870 0.156 0.000 1.149 89 L CA 1.139 56.074 54.840 0.159 0.000 0.872 89 L CB -1.101 41.051 42.059 0.155 0.000 0.992 89 L HN 0.350 nan 8.230 nan 0.000 0.447 90 L N -0.124 121.226 121.223 0.211 0.000 1.948 90 L HA -0.162 4.175 4.340 -0.005 0.000 0.212 90 L C 0.149 177.067 176.870 0.081 0.000 1.074 90 L CA 1.395 56.335 54.840 0.168 0.000 0.753 90 L CB -1.909 40.279 42.059 0.214 0.000 0.888 90 L HN 0.168 nan 8.230 nan 0.000 0.432 91 P HA -0.247 nan 4.420 nan 0.000 0.227 91 P C -1.465 175.841 177.300 0.010 0.000 1.141 91 P CA 2.559 65.678 63.100 0.033 0.000 0.964 91 P CB -1.162 30.566 31.700 0.046 0.000 0.784 92 P HA -0.082 nan 4.420 nan 0.000 0.218 92 P C 1.772 179.052 177.300 -0.033 0.000 1.152 92 P CA 1.400 64.486 63.100 -0.024 0.000 0.826 92 P CB -0.378 31.299 31.700 -0.038 0.000 0.790 93 L N 0.268 121.481 121.223 -0.017 0.000 2.017 93 L HA -0.147 4.189 4.340 -0.005 0.000 0.208 93 L C 2.842 179.698 176.870 -0.023 0.000 1.073 93 L CA 1.759 56.589 54.840 -0.018 0.000 0.745 93 L CB -1.081 40.987 42.059 0.015 0.000 0.894 93 L HN 0.055 nan 8.230 nan 0.000 0.432 94 E N -0.551 119.637 120.200 -0.022 0.000 2.331 94 E HA -0.200 4.146 4.350 -0.005 0.000 0.199 94 E C 2.044 178.624 176.600 -0.033 0.000 1.008 94 E CA 1.003 57.380 56.400 -0.038 0.000 0.843 94 E CB 0.206 29.879 29.700 -0.045 0.000 0.761 94 E HN 0.327 nan 8.360 nan 0.000 0.507 95 S N -0.327 115.355 115.700 -0.030 0.000 2.421 95 S HA 0.078 4.545 4.470 -0.005 0.000 0.224 95 S C 1.701 176.278 174.600 -0.038 0.000 1.035 95 S CA 0.032 58.213 58.200 -0.032 0.000 0.953 95 S CB 0.140 63.322 63.200 -0.030 0.000 0.810 95 S HN 0.223 nan 8.310 nan 0.000 0.497 96 L N 1.227 122.424 121.223 -0.042 0.000 2.275 96 L HA 0.036 4.373 4.340 -0.005 0.000 0.215 96 L C 2.375 179.224 176.870 -0.036 0.000 1.119 96 L CA 0.954 55.766 54.840 -0.047 0.000 0.790 96 L CB -0.380 41.644 42.059 -0.058 0.000 0.919 96 L HN 0.275 nan 8.230 nan 0.000 0.443 97 A N -1.224 121.579 122.820 -0.029 0.000 2.167 97 A HA -0.066 4.251 4.320 -0.005 0.000 0.214 97 A C 2.234 179.806 177.584 -0.020 0.000 1.151 97 A CA 1.508 53.534 52.037 -0.018 0.000 0.735 97 A CB -0.471 18.518 19.000 -0.017 0.000 0.802 97 A HN 0.328 nan 8.150 nan 0.000 0.467 98 T N -0.645 113.889 114.554 -0.033 0.000 2.983 98 T HA 0.101 4.447 4.350 -0.005 0.000 0.250 98 T C 0.763 175.416 174.700 -0.078 0.000 1.037 98 T CA 0.290 62.363 62.100 -0.045 0.000 1.142 98 T CB -0.277 68.566 68.868 -0.042 0.000 0.876 98 T HN 0.071 nan 8.240 nan 0.000 0.455 99 V N 3.407 123.277 119.914 -0.073 0.000 2.877 99 V HA -0.149 3.968 4.120 -0.005 0.000 0.294 99 V C 1.531 177.561 176.094 -0.108 0.000 1.280 99 V CA 0.620 62.867 62.300 -0.088 0.000 1.372 99 V CB 0.130 31.915 31.823 -0.063 0.000 0.867 99 V HN 0.513 nan 8.190 nan 0.000 0.513 100 E N 2.757 122.868 120.200 -0.148 0.000 2.002 100 E HA -0.174 4.173 4.350 -0.005 0.000 0.205 100 E C 0.987 177.531 176.600 -0.093 0.000 1.020 100 E CA 0.758 57.054 56.400 -0.173 0.000 0.856 100 E CB -0.124 29.455 29.700 -0.201 0.000 0.788 100 E HN 0.717 nan 8.360 nan 0.000 0.477 101 E N 1.867 122.026 120.200 -0.069 0.000 2.924 101 E HA -0.120 4.227 4.350 -0.005 0.000 0.236 101 E C 0.929 177.519 176.600 -0.018 0.000 1.028 101 E CA 0.490 56.870 56.400 -0.034 0.000 0.952 101 E CB 0.334 30.016 29.700 -0.031 0.000 0.918 101 E HN 0.370 nan 8.360 nan 0.000 0.536 102 T N 1.095 115.653 114.554 0.006 0.000 2.544 102 T HA -0.280 4.067 4.350 -0.005 0.000 0.264 102 T C 1.959 176.668 174.700 0.014 0.000 1.096 102 T CA 1.764 63.878 62.100 0.023 0.000 1.181 102 T CB -0.784 68.112 68.868 0.046 0.000 0.864 102 T HN 0.263 nan 8.240 nan 0.000 0.415 103 V N 1.521 121.442 119.914 0.013 0.000 2.265 103 V HA -0.262 3.854 4.120 -0.005 0.000 0.259 103 V C 2.849 178.943 176.094 -0.000 0.000 1.084 103 V CA 2.307 64.612 62.300 0.008 0.000 1.076 103 V CB -1.376 30.449 31.823 0.004 0.000 0.680 103 V HN 0.488 nan 8.190 nan 0.000 0.452 104 V N 0.830 120.738 119.914 -0.011 0.000 2.220 104 V HA -0.306 3.810 4.120 -0.005 0.000 0.246 104 V C 2.758 178.841 176.094 -0.018 0.000 1.049 104 V CA 2.798 65.085 62.300 -0.022 0.000 1.003 104 V CB -0.736 31.067 31.823 -0.033 0.000 0.634 104 V HN 0.792 nan 8.190 nan 0.000 0.444 105 R N -0.088 120.403 120.500 -0.015 0.000 2.159 105 R HA -0.179 4.158 4.340 -0.005 0.000 0.237 105 R C 1.743 178.050 176.300 0.010 0.000 1.131 105 R CA 2.051 58.146 56.100 -0.007 0.000 0.982 105 R CB -0.752 29.544 30.300 -0.007 0.000 0.868 105 R HN 0.437 nan 8.270 nan 0.000 0.453 106 D N 0.965 121.375 120.400 0.016 0.000 2.117 106 D HA -0.121 4.515 4.640 -0.005 0.000 0.197 106 D C 1.585 177.900 176.300 0.025 0.000 0.987 106 D CA 1.137 55.154 54.000 0.028 0.000 0.829 106 D CB -0.005 40.812 40.800 0.029 0.000 0.961 106 D HN 0.253 nan 8.370 nan 0.000 0.460 107 K N 0.476 120.882 120.400 0.011 0.000 2.062 107 K HA 0.027 4.344 4.320 -0.005 0.000 0.205 107 K C 2.069 178.672 176.600 0.006 0.000 1.051 107 K CA 0.663 56.954 56.287 0.006 0.000 0.941 107 K CB -0.118 32.377 32.500 -0.008 0.000 0.719 107 K HN -0.022 nan 8.250 nan 0.000 0.440 108 A N 1.062 123.880 122.820 -0.004 0.000 1.997 108 A HA -0.164 4.153 4.320 -0.005 0.000 0.221 108 A C 2.307 179.903 177.584 0.019 0.000 1.172 108 A CA 1.809 53.843 52.037 -0.005 0.000 0.645 108 A CB -0.558 18.432 19.000 -0.016 0.000 0.813 108 A HN 0.107 nan 8.150 nan 0.000 0.454 109 V N -0.445 119.488 119.914 0.032 0.000 2.379 109 V HA -0.196 3.921 4.120 -0.005 0.000 0.243 109 V C 2.422 178.560 176.094 0.072 0.000 1.035 109 V CA 1.782 64.116 62.300 0.056 0.000 1.035 109 V CB -0.746 31.116 31.823 0.065 0.000 0.673 109 V HN 0.785 nan 8.190 nan 0.000 0.457 110 E N 0.597 120.832 120.200 0.057 0.000 2.136 110 E HA -0.297 4.049 4.350 -0.005 0.000 0.202 110 E C 2.220 178.854 176.600 0.056 0.000 1.019 110 E CA 2.186 58.618 56.400 0.053 0.000 0.819 110 E CB -0.111 29.610 29.700 0.035 0.000 0.739 110 E HN 0.589 nan 8.360 nan 0.000 0.458 111 S N 0.651 116.381 115.700 0.050 0.000 2.335 111 S HA -0.106 4.361 4.470 -0.005 0.000 0.216 111 S C 2.012 176.676 174.600 0.106 0.000 1.032 111 S CA 0.959 59.194 58.200 0.058 0.000 1.000 111 S CB -0.430 62.790 63.200 0.033 0.000 0.928 111 S HN 0.303 nan 8.310 nan 0.000 0.434 112 L N 1.207 122.505 121.223 0.125 0.000 2.171 112 L HA -0.286 4.051 4.340 -0.005 0.000 0.216 112 L C 2.575 179.623 176.870 0.296 0.000 1.084 112 L CA 1.466 56.434 54.840 0.212 0.000 0.771 112 L CB -0.339 41.807 42.059 0.145 0.000 0.890 112 L HN 0.314 nan 8.230 nan 0.000 0.437 113 R N -1.208 119.415 120.500 0.205 0.000 2.080 113 R HA 0.000 4.337 4.340 -0.005 0.000 0.222 113 R C 2.364 178.746 176.300 0.136 0.000 1.107 113 R CA 1.020 57.234 56.100 0.190 0.000 0.980 113 R CB -0.405 29.987 30.300 0.154 0.000 0.879 113 R HN 0.311 nan 8.270 nan 0.000 0.439 114 A N 2.185 125.044 122.820 0.066 0.000 1.898 114 A HA -0.095 4.222 4.320 -0.005 0.000 0.216 114 A C 2.118 179.732 177.584 0.050 0.000 1.181 114 A CA 1.209 53.232 52.037 -0.024 0.000 0.620 114 A CB -0.541 18.448 19.000 -0.020 0.000 0.819 114 A HN 0.467 nan 8.150 nan 0.000 0.442 115 I N -1.862 118.787 120.570 0.132 0.000 3.749 115 I HA 0.108 4.275 4.170 -0.005 0.000 0.314 115 I C 1.758 178.052 176.117 0.294 0.000 1.267 115 I CA 1.004 62.427 61.300 0.205 0.000 1.169 115 I CB 0.035 38.178 38.000 0.238 0.000 1.009 115 I HN 0.232 nan 8.210 nan 0.000 0.444 116 S N 1.555 117.332 115.700 0.128 0.000 2.348 116 S HA -0.227 4.240 4.470 -0.005 0.000 0.219 116 S C 1.920 176.502 174.600 -0.030 0.000 1.033 116 S CA 1.355 59.379 58.200 -0.295 0.000 0.974 116 S CB -0.600 62.325 63.200 -0.457 0.000 0.868 116 S HN 0.649 nan 8.310 nan 0.000 0.459 117 H N 1.889 120.907 119.070 -0.086 0.000 2.501 117 H HA -0.011 4.543 4.556 -0.003 0.000 0.296 117 H C 2.049 177.387 175.328 0.016 0.000 1.115 117 H CA 1.712 57.736 56.048 -0.040 0.000 1.242 117 H CB -0.209 29.540 29.762 -0.021 0.000 1.363 117 H HN 0.497 nan 8.280 nan 0.000 0.537 118 E N 0.071 120.396 120.200 0.208 0.000 2.230 118 E HA -0.030 4.317 4.350 -0.005 0.000 0.192 118 E C 0.313 176.935 176.600 0.037 0.000 0.987 118 E CA 0.217 56.675 56.400 0.097 0.000 0.841 118 E CB -0.113 29.617 29.700 0.050 0.000 0.783 118 E HN 0.680 nan 8.360 nan 0.000 0.481 119 H N 1.360 120.393 119.070 -0.062 0.000 2.815 119 H HA 0.128 4.677 4.556 -0.012 0.000 0.350 119 H C 0.557 175.827 175.328 -0.097 0.000 1.080 119 H CA 0.115 56.117 56.048 -0.075 0.000 1.433 119 H CB 0.615 30.319 29.762 -0.098 0.000 1.432 119 H HN -0.022 nan 8.280 nan 0.000 0.592 120 S N 3.459 119.165 115.700 0.009 0.000 2.585 120 S HA 0.087 4.554 4.470 -0.005 0.000 0.277 120 S C -1.647 172.935 174.600 -0.030 0.000 1.241 120 S CA -1.510 56.673 58.200 -0.029 0.000 1.041 120 S CB 1.872 65.042 63.200 -0.050 0.000 0.987 120 S HN 0.445 nan 8.310 nan 0.000 0.512 121 P HA -0.219 nan 4.420 nan 0.000 0.220 121 P C 1.422 178.697 177.300 -0.041 0.000 1.155 121 P CA 1.680 64.748 63.100 -0.053 0.000 0.880 121 P CB -0.345 31.320 31.700 -0.059 0.000 0.790 122 S N -0.048 115.627 115.700 -0.042 0.000 2.368 122 S HA -0.211 4.256 4.470 -0.005 0.000 0.226 122 S C 1.677 176.243 174.600 -0.057 0.000 1.044 122 S CA 1.854 60.028 58.200 -0.043 0.000 1.062 122 S CB -1.075 62.097 63.200 -0.048 0.000 0.931 122 S HN 0.277 nan 8.310 nan 0.000 0.440 123 D N 1.366 121.724 120.400 -0.070 0.000 2.077 123 D HA -0.014 4.623 4.640 -0.005 0.000 0.196 123 D C 2.119 178.405 176.300 -0.024 0.000 0.986 123 D CA 0.737 54.661 54.000 -0.125 0.000 0.829 123 D CB -0.547 40.231 40.800 -0.037 0.000 0.983 123 D HN 0.243 nan 8.370 nan 0.000 0.453 124 L N 1.254 122.500 121.223 0.038 0.000 1.957 124 L HA -0.266 4.070 4.340 -0.005 0.000 0.228 124 L C 2.416 179.326 176.870 0.067 0.000 1.086 124 L CA 1.671 56.540 54.840 0.048 0.000 0.796 124 L CB -0.777 41.250 42.059 -0.054 0.000 0.900 124 L HN 0.107 nan 8.230 nan 0.000 0.439 125 E N -0.536 119.674 120.200 0.018 0.000 2.253 125 E HA -0.273 4.074 4.350 -0.005 0.000 0.202 125 E C 1.842 178.470 176.600 0.046 0.000 1.014 125 E CA 1.287 57.697 56.400 0.017 0.000 0.823 125 E CB -0.145 29.552 29.700 -0.006 0.000 0.736 125 E HN 0.593 nan 8.360 nan 0.000 0.478 126 A N -0.719 122.144 122.820 0.072 0.000 2.140 126 A HA 0.069 4.386 4.320 -0.005 0.000 0.209 126 A C 1.330 179.134 177.584 0.367 0.000 1.181 126 A CA 0.315 52.451 52.037 0.164 0.000 0.824 126 A CB 0.088 19.177 19.000 0.149 0.000 0.879 126 A HN 0.228 nan 8.150 nan 0.000 0.480 127 H N -3.870 115.224 119.070 0.039 0.000 2.067 127 H HA 0.199 4.750 4.556 -0.008 0.000 0.220 127 H C 1.725 177.093 175.328 0.067 0.000 0.883 127 H CA 0.170 56.241 56.048 0.037 0.000 1.042 127 H CB -0.051 29.738 29.762 0.045 0.000 1.305 127 H HN 0.346 nan 8.280 nan 0.000 0.430 128 F N 2.394 122.410 119.950 0.111 0.000 1.997 128 F HA -0.277 4.243 4.527 -0.012 0.000 0.296 128 F C 2.372 178.124 175.800 -0.079 0.000 1.160 128 F CA 1.518 59.495 58.000 -0.040 0.000 1.176 128 F CB -0.650 38.230 39.000 -0.200 0.000 0.964 128 F HN -0.166 nan 8.300 nan 0.000 0.484 129 V N 1.143 121.165 119.914 0.179 0.000 2.236 129 V HA -0.363 3.753 4.120 -0.005 0.000 0.255 129 V C -0.372 175.626 176.094 -0.160 0.000 1.068 129 V CA 3.000 65.292 62.300 -0.012 0.000 1.044 129 V CB -1.759 30.068 31.823 0.006 0.000 0.653 129 V HN 0.262 nan 8.190 nan 0.000 0.448 130 P HA -0.185 nan 4.420 nan 0.000 0.217 130 P C 1.874 179.084 177.300 -0.149 0.000 1.148 130 P CA 1.570 64.605 63.100 -0.109 0.000 0.828 130 P CB -0.082 31.589 31.700 -0.047 0.000 0.783 131 L N -1.299 119.803 121.223 -0.202 0.000 2.056 131 L HA -0.133 4.204 4.340 -0.005 0.000 0.207 131 L C 2.013 178.715 176.870 -0.280 0.000 1.078 131 L CA 1.543 56.242 54.840 -0.235 0.000 0.749 131 L CB -0.797 41.078 42.059 -0.307 0.000 0.901 131 L HN -0.175 nan 8.230 nan 0.000 0.433 132 V N 0.708 120.373 119.914 -0.415 0.000 2.233 132 V HA -0.352 3.765 4.120 -0.005 0.000 0.247 132 V C 2.653 178.600 176.094 -0.245 0.000 1.050 132 V CA 2.445 64.507 62.300 -0.396 0.000 1.010 132 V CB -0.698 30.795 31.823 -0.550 0.000 0.637 132 V HN 0.481 nan 8.190 nan 0.000 0.444 133 K N -0.488 119.734 120.400 -0.297 0.000 2.089 133 K HA -0.248 4.069 4.320 -0.005 0.000 0.210 133 K C 2.378 179.030 176.600 0.087 0.000 1.048 133 K CA 1.818 57.965 56.287 -0.234 0.000 0.926 133 K CB -0.320 31.941 32.500 -0.397 0.000 0.714 133 K HN 0.384 nan 8.250 nan 0.000 0.448 134 R N 0.696 121.196 120.500 -0.000 0.000 2.073 134 R HA -0.077 4.260 4.340 -0.005 0.000 0.234 134 R C 2.471 178.799 176.300 0.047 0.000 1.134 134 R CA 1.158 57.278 56.100 0.034 0.000 0.952 134 R CB -0.404 29.887 30.300 -0.014 0.000 0.850 134 R HN 0.189 nan 8.270 nan 0.000 0.433 135 L N 0.024 121.252 121.223 0.009 0.000 2.012 135 L HA -0.201 4.136 4.340 -0.005 0.000 0.210 135 L C 2.658 179.581 176.870 0.088 0.000 1.073 135 L CA 1.459 56.316 54.840 0.028 0.000 0.748 135 L CB -0.562 41.490 42.059 -0.013 0.000 0.891 135 L HN 0.267 nan 8.230 nan 0.000 0.431 136 A N -0.092 122.816 122.820 0.147 0.000 1.933 136 A HA -0.107 4.209 4.320 -0.005 0.000 0.218 136 A C 2.168 179.848 177.584 0.159 0.000 1.175 136 A CA 1.545 53.711 52.037 0.213 0.000 0.628 136 A CB -1.038 18.204 19.000 0.404 0.000 0.814 136 A HN 0.469 nan 8.150 nan 0.000 0.444 137 G N -0.141 108.764 108.800 0.176 0.000 2.956 137 G HA2 0.359 4.315 3.960 -0.005 0.000 0.207 137 G HA3 0.359 4.315 3.960 -0.005 0.000 0.207 137 G C 0.795 175.727 174.900 0.053 0.000 1.162 137 G CA 0.404 45.561 45.100 0.094 0.000 0.796 137 G HN 0.740 nan 8.290 nan 0.000 0.527 138 G N -0.161 108.678 108.800 0.064 0.000 2.562 138 G HA2 0.161 4.118 3.960 -0.005 0.000 0.233 138 G HA3 0.161 4.118 3.960 -0.005 0.000 0.233 138 G C 0.444 175.361 174.900 0.028 0.000 1.266 138 G CA -0.064 45.068 45.100 0.054 0.000 0.852 138 G HN 0.100 nan 8.290 nan 0.000 0.581 139 D N 0.421 120.839 120.400 0.030 0.000 2.106 139 D HA -0.015 4.622 4.640 -0.005 0.000 0.203 139 D C 0.498 176.729 176.300 -0.115 0.000 0.977 139 D CA 0.380 54.356 54.000 -0.040 0.000 0.844 139 D CB 0.024 40.820 40.800 -0.007 0.000 1.002 139 D HN 0.458 nan 8.370 nan 0.000 0.461 140 W N 0.908 122.176 121.300 -0.054 0.000 2.218 140 W HA 0.131 4.787 4.660 -0.007 0.000 0.326 140 W C 1.217 177.679 176.519 -0.096 0.000 1.276 140 W CA -0.883 56.394 57.345 -0.112 0.000 1.210 140 W CB 0.335 29.665 29.460 -0.217 0.000 1.143 140 W HN -0.035 nan 8.180 nan 0.000 0.563 141 F N 0.746 120.829 119.950 0.221 0.000 2.154 141 F HA -0.262 4.262 4.527 -0.006 0.000 0.301 141 F C 2.069 177.965 175.800 0.159 0.000 1.087 141 F CA 1.892 59.975 58.000 0.138 0.000 1.274 141 F CB -1.964 37.097 39.000 0.103 0.000 1.009 141 F HN 0.313 nan 8.300 nan 0.000 0.485 142 T N -1.343 113.075 114.554 -0.227 0.000 2.597 142 T HA -0.299 4.047 4.350 -0.005 0.000 0.267 142 T C 2.028 176.779 174.700 0.085 0.000 1.053 142 T CA 2.168 64.247 62.100 -0.036 0.000 1.165 142 T CB -1.403 67.321 68.868 -0.239 0.000 0.863 142 T HN 0.429 nan 8.240 nan 0.000 0.427 143 S N 2.125 117.857 115.700 0.053 0.000 2.372 143 S HA -0.179 4.288 4.470 -0.005 0.000 0.227 143 S C 2.245 176.905 174.600 0.099 0.000 1.044 143 S CA 1.850 60.090 58.200 0.067 0.000 1.050 143 S CB -0.439 62.800 63.200 0.066 0.000 0.901 143 S HN 0.593 nan 8.310 nan 0.000 0.447 144 R N 0.371 120.947 120.500 0.127 0.000 2.148 144 R HA 0.066 4.403 4.340 -0.005 0.000 0.223 144 R C 2.523 178.903 176.300 0.133 0.000 1.088 144 R CA 1.175 57.351 56.100 0.126 0.000 0.985 144 R CB -0.788 29.574 30.300 0.103 0.000 0.880 144 R HN 0.254 nan 8.270 nan 0.000 0.451 145 T N -0.019 114.637 114.554 0.171 0.000 2.746 145 T HA -0.103 4.243 4.350 -0.005 0.000 0.267 145 T C 1.848 176.628 174.700 0.134 0.000 1.039 145 T CA 1.691 63.887 62.100 0.160 0.000 1.142 145 T CB -0.088 68.921 68.868 0.236 0.000 0.866 145 T HN 0.211 nan 8.240 nan 0.000 0.444 146 S N 1.154 116.927 115.700 0.123 0.000 2.344 146 S HA -0.069 4.397 4.470 -0.005 0.000 0.217 146 S C 2.499 177.178 174.600 0.133 0.000 1.033 146 S CA 1.161 59.424 58.200 0.105 0.000 1.017 146 S CB -0.887 62.352 63.200 0.066 0.000 0.941 146 S HN 0.635 nan 8.310 nan 0.000 0.430 147 A N 0.653 123.554 122.820 0.134 0.000 2.001 147 A HA -0.325 3.992 4.320 -0.005 0.000 0.224 147 A C 2.382 180.207 177.584 0.402 0.000 1.203 147 A CA 2.118 54.272 52.037 0.195 0.000 0.667 147 A CB -1.761 17.377 19.000 0.230 0.000 0.823 147 A HN 0.648 nan 8.150 nan 0.000 0.473 148 C N -1.587 117.912 119.300 0.332 0.000 2.401 148 C HA -0.045 4.411 4.460 -0.005 0.000 0.276 148 C C 2.865 178.104 174.990 0.415 0.000 1.233 148 C CA 0.885 60.111 59.018 0.347 0.000 1.753 148 C CB -1.692 26.134 27.740 0.143 0.000 2.029 148 C HN 0.766 nan 8.230 nan 0.000 0.478 149 G N -0.435 108.537 108.800 0.287 0.000 2.650 149 G HA2 0.048 4.005 3.960 -0.005 0.000 0.214 149 G HA3 0.048 4.005 3.960 -0.005 0.000 0.214 149 G C 1.170 176.231 174.900 0.268 0.000 1.136 149 G CA 0.136 45.385 45.100 0.249 0.000 0.789 149 G HN 0.575 nan 8.290 nan 0.000 0.536 150 L N -0.295 121.089 121.223 0.268 0.000 2.653 150 L HA 0.349 4.686 4.340 -0.005 0.000 0.232 150 L C 1.439 178.389 176.870 0.134 0.000 1.169 150 L CA -0.300 54.650 54.840 0.182 0.000 0.951 150 L CB -0.137 41.930 42.059 0.013 0.000 1.181 150 L HN 0.063 nan 8.230 nan 0.000 0.460 151 F N -0.663 119.404 119.950 0.196 0.000 2.317 151 F HA -0.035 4.491 4.527 -0.002 0.000 0.290 151 F C 2.780 178.759 175.800 0.298 0.000 1.075 151 F CA 1.019 59.160 58.000 0.235 0.000 1.380 151 F CB -0.525 38.496 39.000 0.035 0.000 1.093 151 F HN -0.002 nan 8.300 nan 0.000 0.524 152 S N 0.474 116.435 115.700 0.435 0.000 2.420 152 S HA -0.155 4.312 4.470 -0.005 0.000 0.237 152 S C 1.960 176.667 174.600 0.178 0.000 1.023 152 S CA 1.760 60.124 58.200 0.273 0.000 0.991 152 S CB -0.583 62.742 63.200 0.209 0.000 0.792 152 S HN 0.204 nan 8.310 nan 0.000 0.488 153 V N -0.413 119.602 119.914 0.168 0.000 3.608 153 V HA 0.167 4.283 4.120 -0.005 0.000 0.269 153 V C 1.843 177.884 176.094 -0.089 0.000 1.245 153 V CA 0.657 62.981 62.300 0.039 0.000 1.138 153 V CB -0.932 30.927 31.823 0.060 0.000 0.841 153 V HN 0.828 nan 8.190 nan 0.000 0.451 154 C N -3.656 115.660 119.300 0.026 0.000 3.730 154 C HA 0.366 4.823 4.460 -0.005 0.000 0.397 154 C C 2.218 177.233 174.990 0.042 0.000 1.468 154 C CA 0.069 59.062 59.018 -0.041 0.000 1.931 154 C CB -1.215 26.528 27.740 0.006 0.000 2.773 154 C HN 0.460 nan 8.230 nan 0.000 0.692 155 Y N 4.092 124.413 120.300 0.034 0.000 2.207 155 Y HA 0.000 4.551 4.550 0.001 0.000 0.287 155 Y C -0.724 175.158 175.900 -0.030 0.000 1.156 155 Y CA 2.252 60.376 58.100 0.041 0.000 1.182 155 Y CB -1.192 37.324 38.460 0.093 0.000 0.979 155 Y HN 0.254 nan 8.280 nan 0.000 0.521 156 P HA -0.116 nan 4.420 nan 0.000 0.218 156 P C 0.623 177.851 177.300 -0.121 0.000 1.149 156 P CA 1.882 64.952 63.100 -0.051 0.000 0.817 156 P CB 0.031 31.716 31.700 -0.024 0.000 0.785 157 R N -0.832 119.591 120.500 -0.128 0.000 2.397 157 R HA 0.188 4.525 4.340 -0.005 0.000 0.241 157 R C 0.851 177.076 176.300 -0.125 0.000 0.914 157 R CA -0.001 56.024 56.100 -0.126 0.000 1.071 157 R CB 0.041 30.262 30.300 -0.131 0.000 1.116 157 R HN 0.182 nan 8.270 nan 0.000 0.524 158 V N -1.248 118.576 119.914 -0.151 0.000 3.561 158 V HA 0.407 4.523 4.120 -0.005 0.000 0.290 158 V C 0.772 176.780 176.094 -0.144 0.000 1.052 158 V CA -0.987 61.236 62.300 -0.129 0.000 0.973 158 V CB 1.346 33.098 31.823 -0.118 0.000 1.243 158 V HN 0.146 nan 8.190 nan 0.000 0.432 159 S N 0.006 115.641 115.700 -0.110 0.000 2.645 159 S HA 0.218 4.685 4.470 -0.005 0.000 0.266 159 S C 1.439 175.970 174.600 -0.116 0.000 1.258 159 S CA 0.190 58.333 58.200 -0.095 0.000 0.990 159 S CB 0.933 64.100 63.200 -0.055 0.000 0.967 159 S HN 1.712 nan 8.310 nan 0.000 0.556 160 S N 1.325 116.975 115.700 -0.083 0.000 2.359 160 S HA -0.128 4.338 4.470 -0.005 0.000 0.224 160 S C 1.905 176.482 174.600 -0.038 0.000 1.035 160 S CA 0.998 59.157 58.200 -0.068 0.000 1.018 160 S CB -1.320 61.858 63.200 -0.038 0.000 0.876 160 S HN 1.224 nan 8.310 nan 0.000 0.448 161 A N 0.473 123.282 122.820 -0.019 0.000 2.169 161 A HA 0.419 4.735 4.320 -0.005 0.000 0.212 161 A C 2.145 179.742 177.584 0.022 0.000 1.153 161 A CA 0.591 52.636 52.037 0.012 0.000 0.756 161 A CB -0.410 18.600 19.000 0.017 0.000 0.813 161 A HN 0.417 nan 8.150 nan 0.000 0.471 162 V N -0.161 119.747 119.914 -0.010 0.000 2.649 162 V HA -0.146 3.971 4.120 -0.005 0.000 0.248 162 V C 2.302 178.412 176.094 0.026 0.000 1.054 162 V CA 1.868 64.169 62.300 0.002 0.000 1.073 162 V CB -0.407 31.398 31.823 -0.031 0.000 0.699 162 V HN 0.502 nan 8.190 nan 0.000 0.463 163 K N 0.590 120.949 120.400 -0.068 0.000 2.026 163 K HA -0.146 4.170 4.320 -0.005 0.000 0.208 163 K C 2.350 179.115 176.600 0.275 0.000 1.048 163 K CA 1.532 57.765 56.287 -0.090 0.000 0.929 163 K CB -0.484 31.672 32.500 -0.574 0.000 0.713 163 K HN 0.441 nan 8.250 nan 0.000 0.439 164 A N 1.942 124.860 122.820 0.165 0.000 1.884 164 A HA -0.299 4.017 4.320 -0.005 0.000 0.219 164 A C 1.974 179.700 177.584 0.236 0.000 1.197 164 A CA 2.108 54.262 52.037 0.195 0.000 0.637 164 A CB -0.641 18.432 19.000 0.122 0.000 0.827 164 A HN 0.398 nan 8.150 nan 0.000 0.450 165 E N -0.134 120.188 120.200 0.204 0.000 2.051 165 E HA -0.143 4.204 4.350 -0.005 0.000 0.192 165 E C 2.005 178.811 176.600 0.342 0.000 0.991 165 E CA 1.163 57.712 56.400 0.247 0.000 0.799 165 E CB -0.380 29.421 29.700 0.169 0.000 0.748 165 E HN 0.604 nan 8.360 nan 0.000 0.449 166 L N 0.918 122.334 121.223 0.323 0.000 2.081 166 L HA -0.227 4.110 4.340 -0.005 0.000 0.212 166 L C 2.664 179.897 176.870 0.605 0.000 1.080 166 L CA 1.268 56.388 54.840 0.468 0.000 0.754 166 L CB -0.439 41.959 42.059 0.565 0.000 0.893 166 L HN 0.153 nan 8.230 nan 0.000 0.433 167 R N -0.471 120.349 120.500 0.533 0.000 2.080 167 R HA -0.240 4.097 4.340 -0.005 0.000 0.236 167 R C 2.206 178.709 176.300 0.338 0.000 1.137 167 R CA 1.721 58.077 56.100 0.427 0.000 0.943 167 R CB -0.503 30.005 30.300 0.346 0.000 0.846 167 R HN 0.285 nan 8.270 nan 0.000 0.431 168 Q N 0.467 120.454 119.800 0.312 0.000 1.967 168 Q HA -0.230 4.106 4.340 -0.005 0.000 0.210 168 Q C 1.834 177.972 176.000 0.230 0.000 1.005 168 Q CA 1.960 57.900 55.803 0.228 0.000 0.862 168 Q CB -0.727 28.137 28.738 0.210 0.000 0.939 168 Q HN 0.326 nan 8.270 nan 0.000 0.417 169 Y N -0.691 119.713 120.300 0.173 0.000 2.132 169 Y HA -0.285 4.264 4.550 -0.001 0.000 0.280 169 Y C 2.073 178.006 175.900 0.055 0.000 1.193 169 Y CA 1.904 60.112 58.100 0.179 0.000 1.157 169 Y CB -0.589 38.079 38.460 0.348 0.000 0.966 169 Y HN 0.321 nan 8.280 nan 0.000 0.511 170 F N 0.052 119.977 119.950 -0.041 0.000 2.206 170 F HA -0.076 4.448 4.527 -0.006 0.000 0.298 170 F C 2.515 178.114 175.800 -0.335 0.000 1.090 170 F CA 1.295 58.926 58.000 -0.615 0.000 1.323 170 F CB -0.337 37.949 39.000 -1.191 0.000 1.028 170 F HN -0.204 nan 8.300 nan 0.000 0.492 171 R N 0.261 120.725 120.500 -0.060 0.000 2.193 171 R HA -0.147 4.190 4.340 -0.005 0.000 0.229 171 R C 1.652 177.849 176.300 -0.171 0.000 1.110 171 R CA 1.235 57.287 56.100 -0.080 0.000 0.988 171 R CB -0.269 30.053 30.300 0.038 0.000 0.871 171 R HN 0.324 nan 8.270 nan 0.000 0.458 172 N N 0.320 118.915 118.700 -0.176 0.000 2.290 172 N HA -0.064 4.673 4.740 -0.005 0.000 0.179 172 N C 1.645 177.019 175.510 -0.227 0.000 1.016 172 N CA 0.799 53.746 53.050 -0.172 0.000 0.871 172 N CB -0.041 38.355 38.487 -0.151 0.000 0.987 172 N HN 0.202 nan 8.380 nan 0.000 0.431 173 L N 0.097 121.125 121.223 -0.325 0.000 2.450 173 L HA -0.076 4.260 4.340 -0.005 0.000 0.224 173 L C 1.974 178.621 176.870 -0.370 0.000 1.149 173 L CA 0.352 54.995 54.840 -0.328 0.000 0.816 173 L CB -0.324 41.489 42.059 -0.411 0.000 0.932 173 L HN 0.184 nan 8.230 nan 0.000 0.449 174 C N -0.760 118.286 119.300 -0.425 0.000 2.485 174 C HA -0.028 4.428 4.460 -0.005 0.000 0.278 174 C C 2.155 177.031 174.990 -0.190 0.000 1.356 174 C CA 0.752 59.579 59.018 -0.319 0.000 1.747 174 C CB -0.504 27.062 27.740 -0.289 0.000 2.001 174 C HN 0.602 nan 8.230 nan 0.000 0.501 175 S N -0.046 115.554 115.700 -0.166 0.000 2.560 175 S HA 0.186 4.653 4.470 -0.005 0.000 0.227 175 S C -0.589 173.943 174.600 -0.113 0.000 1.280 175 S CA -0.300 57.829 58.200 -0.119 0.000 1.260 175 S CB -0.347 62.796 63.200 -0.095 0.000 1.002 175 S HN 0.532 nan 8.310 nan 0.000 0.509 176 D N 1.137 121.465 120.400 -0.120 0.000 2.348 176 D HA 0.196 4.832 4.640 -0.005 0.000 0.249 176 D C -0.006 176.239 176.300 -0.092 0.000 1.110 176 D CA -0.227 53.711 54.000 -0.102 0.000 0.967 176 D CB 1.557 42.297 40.800 -0.100 0.000 1.139 176 D HN 0.211 nan 8.370 nan 0.000 0.466 177 D N -0.664 119.686 120.400 -0.084 0.000 2.317 177 D HA -0.023 4.613 4.640 -0.005 0.000 0.211 177 D C 0.320 176.565 176.300 -0.091 0.000 0.966 177 D CA 0.758 54.709 54.000 -0.082 0.000 0.876 177 D CB 0.109 40.862 40.800 -0.079 0.000 0.927 177 D HN 0.324 nan 8.370 nan 0.000 0.519 178 T N -1.042 113.453 114.554 -0.098 0.000 2.744 178 T HA 0.464 4.811 4.350 -0.005 0.000 0.291 178 T C -2.602 172.011 174.700 -0.144 0.000 0.957 178 T CA -2.325 59.697 62.100 -0.130 0.000 1.002 178 T CB 1.959 70.738 68.868 -0.148 0.000 0.919 178 T HN -0.300 nan 8.240 nan 0.000 0.468 182 R N 0.706 121.141 120.500 -0.109 0.000 2.103 182 R HA -0.143 4.194 4.340 -0.005 0.000 0.242 182 R C 2.293 178.541 176.300 -0.088 0.000 1.142 182 R CA 2.111 58.143 56.100 -0.113 0.000 0.960 182 R CB -0.291 29.946 30.300 -0.105 0.000 0.858 182 R HN 0.495 nan 8.270 nan 0.000 0.439 183 R N 0.246 120.700 120.500 -0.077 0.000 2.080 183 R HA -0.146 4.191 4.340 -0.005 0.000 0.236 183 R C 2.411 178.693 176.300 -0.029 0.000 1.137 183 R CA 1.558 57.627 56.100 -0.052 0.000 0.943 183 R CB -0.513 29.753 30.300 -0.056 0.000 0.846 183 R HN 0.231 nan 8.270 nan 0.000 0.431 184 A N 1.448 124.251 122.820 -0.027 0.000 1.841 184 A HA -0.191 4.126 4.320 -0.005 0.000 0.216 184 A C 2.445 180.023 177.584 -0.010 0.000 1.199 184 A CA 1.988 54.026 52.037 0.003 0.000 0.621 184 A CB -1.046 17.966 19.000 0.020 0.000 0.835 184 A HN 0.429 nan 8.150 nan 0.000 0.445 185 A N -0.393 122.371 122.820 -0.093 0.000 1.958 185 A HA 0.000 4.317 4.320 -0.005 0.000 0.221 185 A C 2.495 180.051 177.584 -0.047 0.000 1.178 185 A CA 2.731 54.648 52.037 -0.201 0.000 0.642 185 A CB -1.090 17.667 19.000 -0.405 0.000 0.816 185 A HN 1.226 nan 8.150 nan 0.000 0.453 186 A N 0.082 122.889 122.820 -0.022 0.000 1.873 186 A HA -0.058 4.259 4.320 -0.005 0.000 0.215 186 A C 2.535 180.172 177.584 0.088 0.000 1.186 186 A CA 2.320 54.383 52.037 0.044 0.000 0.616 186 A CB -1.080 17.934 19.000 0.022 0.000 0.823 186 A HN 1.125 nan 8.150 nan 0.000 0.442 187 S N -0.245 115.496 115.700 0.067 0.000 2.383 187 S HA -0.166 4.301 4.470 -0.005 0.000 0.229 187 S C 1.616 176.282 174.600 0.110 0.000 1.030 187 S CA 1.555 59.803 58.200 0.080 0.000 1.002 187 S CB -0.247 62.990 63.200 0.063 0.000 0.829 187 S HN 0.406 nan 8.310 nan 0.000 0.467 188 K N 0.856 121.342 120.400 0.143 0.000 2.426 188 K HA 0.327 4.644 4.320 -0.005 0.000 0.193 188 K C 1.781 178.511 176.600 0.216 0.000 1.028 188 K CA 0.149 56.545 56.287 0.181 0.000 1.047 188 K CB -0.744 31.889 32.500 0.220 0.000 0.821 188 K HN 0.426 nan 8.250 nan 0.000 0.513 189 L N 1.042 122.425 121.223 0.267 0.000 2.043 189 L HA -0.134 4.203 4.340 -0.005 0.000 0.212 189 L C 1.949 178.908 176.870 0.149 0.000 1.075 189 L CA 2.168 57.175 54.840 0.278 0.000 0.752 189 L CB -0.883 41.339 42.059 0.272 0.000 0.891 189 L HN 0.227 nan 8.230 nan 0.000 0.432 190 G N -0.365 108.499 108.800 0.107 0.000 2.480 190 G HA2 -0.355 3.601 3.960 -0.005 0.000 0.216 190 G HA3 -0.355 3.601 3.960 -0.005 0.000 0.216 190 G C 1.321 176.241 174.900 0.034 0.000 1.200 190 G CA 0.808 45.936 45.100 0.046 0.000 0.782 190 G HN 0.694 nan 8.290 nan 0.000 0.554 191 E N -0.770 119.468 120.200 0.063 0.000 2.267 191 E HA -0.132 4.215 4.350 -0.005 0.000 0.197 191 E C 2.008 178.636 176.600 0.048 0.000 0.998 191 E CA 0.900 57.334 56.400 0.056 0.000 0.830 191 E CB -0.375 29.378 29.700 0.088 0.000 0.751 191 E HN 0.431 nan 8.360 nan 0.000 0.491 192 F N 0.992 120.849 119.950 -0.156 0.000 2.416 192 F HA 0.325 4.847 4.527 -0.008 0.000 0.296 192 F C 2.150 177.773 175.800 -0.296 0.000 1.099 192 F CA 0.742 58.559 58.000 -0.306 0.000 1.427 192 F CB 0.019 38.617 39.000 -0.670 0.000 1.079 192 F HN 0.122 nan 8.300 nan 0.000 0.536 193 A N -0.151 122.551 122.820 -0.197 0.000 2.119 193 A HA -0.031 4.286 4.320 -0.005 0.000 0.216 193 A C 1.920 179.359 177.584 -0.241 0.000 1.152 193 A CA 0.569 52.452 52.037 -0.258 0.000 0.708 193 A CB -0.563 18.361 19.000 -0.125 0.000 0.805 193 A HN 0.351 nan 8.150 nan 0.000 0.460 194 K N -0.100 120.192 120.400 -0.181 0.000 2.569 194 K HA 0.063 4.379 4.320 -0.005 0.000 0.193 194 K C 1.029 177.539 176.600 -0.149 0.000 1.026 194 K CA 0.902 57.111 56.287 -0.131 0.000 1.093 194 K CB 0.054 32.510 32.500 -0.073 0.000 0.849 194 K HN 0.497 nan 8.250 nan 0.000 0.509 195 V N -2.939 116.821 119.914 -0.256 0.000 3.411 195 V HA 0.242 4.358 4.120 -0.005 0.000 0.287 195 V C 0.075 176.060 176.094 -0.181 0.000 1.543 195 V CA -0.453 61.732 62.300 -0.190 0.000 1.028 195 V CB -0.027 31.707 31.823 -0.147 0.000 0.840 195 V HN -0.033 nan 8.190 nan 0.000 0.435 196 L N 2.555 123.568 121.223 -0.351 0.000 2.418 196 L HA 0.483 4.819 4.340 -0.005 0.000 0.265 196 L C 0.767 177.588 176.870 -0.081 0.000 1.143 196 L CA -0.673 54.029 54.840 -0.230 0.000 0.809 196 L CB 0.556 42.378 42.059 -0.396 0.000 1.124 196 L HN 0.311 nan 8.230 nan 0.000 0.456 197 E N 1.658 121.861 120.200 0.006 0.000 2.461 197 E HA -0.103 4.244 4.350 -0.005 0.000 0.263 197 E C 0.807 177.390 176.600 -0.028 0.000 1.143 197 E CA -0.371 56.027 56.400 -0.003 0.000 0.994 197 E CB 0.660 30.371 29.700 0.019 0.000 0.973 197 E HN 0.428 nan 8.360 nan 0.000 0.457 198 L N 1.001 122.209 121.223 -0.025 0.000 1.976 198 L HA -0.203 4.133 4.340 -0.005 0.000 0.209 198 L C 1.579 178.436 176.870 -0.022 0.000 1.071 198 L CA 2.186 57.008 54.840 -0.030 0.000 0.746 198 L CB -1.208 40.837 42.059 -0.024 0.000 0.890 198 L HN 0.446 nan 8.230 nan 0.000 0.432 199 D N 0.143 120.538 120.400 -0.008 0.000 2.160 199 D HA -0.267 4.370 4.640 -0.005 0.000 0.189 199 D C 1.908 178.211 176.300 0.005 0.000 1.003 199 D CA 1.890 55.891 54.000 0.001 0.000 0.846 199 D CB -0.411 40.395 40.800 0.009 0.000 0.949 199 D HN 0.494 nan 8.370 nan 0.000 0.446 200 N N -0.502 118.202 118.700 0.007 0.000 2.348 200 N HA -0.116 4.621 4.740 -0.005 0.000 0.185 200 N C 1.660 177.165 175.510 -0.009 0.000 1.019 200 N CA 0.247 53.304 53.050 0.012 0.000 0.880 200 N CB 0.249 38.748 38.487 0.021 0.000 0.965 200 N HN 0.043 nan 8.380 nan 0.000 0.437 201 V N 1.147 121.042 119.914 -0.032 0.000 2.453 201 V HA -0.158 3.959 4.120 -0.005 0.000 0.247 201 V C 1.946 178.032 176.094 -0.014 0.000 1.048 201 V CA 1.496 63.770 62.300 -0.044 0.000 1.049 201 V CB -0.213 31.569 31.823 -0.070 0.000 0.672 201 V HN 0.252 nan 8.190 nan 0.000 0.457 202 K N 0.871 121.268 120.400 -0.005 0.000 2.116 202 K HA -0.054 4.263 4.320 -0.005 0.000 0.203 202 K C 2.295 178.912 176.600 0.029 0.000 1.052 202 K CA 1.505 57.798 56.287 0.010 0.000 0.952 202 K CB -0.223 32.281 32.500 0.007 0.000 0.729 202 K HN 0.590 nan 8.250 nan 0.000 0.446 203 S N 0.179 115.897 115.700 0.029 0.000 2.501 203 S HA 0.034 4.500 4.470 -0.005 0.000 0.220 203 S C 1.592 176.223 174.600 0.052 0.000 0.997 203 S CA 0.611 58.834 58.200 0.039 0.000 0.919 203 S CB 0.240 63.462 63.200 0.035 0.000 0.778 203 S HN 0.128 nan 8.310 nan 0.000 0.523 204 E N 0.163 120.397 120.200 0.057 0.000 2.444 204 E HA 0.387 4.734 4.350 -0.005 0.000 0.203 204 E C 1.691 178.353 176.600 0.102 0.000 0.847 204 E CA -0.010 56.438 56.400 0.080 0.000 1.142 204 E CB -0.040 29.713 29.700 0.089 0.000 1.125 204 E HN 0.220 nan 8.360 nan 0.000 0.521 205 I N 1.368 121.989 120.570 0.085 0.000 2.133 205 I HA -0.198 3.969 4.170 -0.005 0.000 0.238 205 I C 2.026 178.233 176.117 0.149 0.000 1.074 205 I CA 0.916 62.283 61.300 0.111 0.000 1.342 205 I CB -0.765 37.260 38.000 0.041 0.000 1.053 205 I HN 0.186 nan 8.210 nan 0.000 0.404 206 I N 0.688 121.329 120.570 0.118 0.000 2.147 206 I HA -0.232 3.935 4.170 -0.005 0.000 0.245 206 I C -0.894 175.369 176.117 0.244 0.000 1.059 206 I CA 1.544 62.964 61.300 0.201 0.000 1.320 206 I CB -2.633 35.447 38.000 0.133 0.000 1.021 206 I HN 0.135 nan 8.210 nan 0.000 0.415 210 S N 1.263 116.811 115.700 -0.254 0.000 2.378 210 S HA -0.269 4.198 4.470 -0.005 0.000 0.229 210 S C 1.537 175.972 174.600 -0.275 0.000 1.052 210 S CA 2.567 60.524 58.200 -0.406 0.000 1.084 210 S CB -1.020 62.093 63.200 -0.145 0.000 0.950 210 S HN 0.654 nan 8.310 nan 0.000 0.440 211 N N 0.765 119.383 118.700 -0.137 0.000 2.039 211 N HA -0.057 4.680 4.740 -0.005 0.000 0.193 211 N C 1.887 177.326 175.510 -0.118 0.000 1.044 211 N CA 1.652 54.638 53.050 -0.107 0.000 0.847 211 N CB -0.417 38.031 38.487 -0.064 0.000 1.030 211 N HN 0.349 nan 8.380 nan 0.000 0.422 212 L N 0.874 122.039 121.223 -0.098 0.000 2.189 212 L HA -0.142 4.195 4.340 -0.005 0.000 0.214 212 L C 2.320 179.121 176.870 -0.115 0.000 1.097 212 L CA 0.574 55.365 54.840 -0.082 0.000 0.764 212 L CB -0.531 41.511 42.059 -0.028 0.000 0.900 212 L HN 0.255 nan 8.230 nan 0.000 0.436 213 A N -0.646 122.047 122.820 -0.212 0.000 2.206 213 A HA -0.021 4.295 4.320 -0.005 0.000 0.211 213 A C 1.610 179.089 177.584 -0.174 0.000 1.158 213 A CA 1.151 53.039 52.037 -0.248 0.000 0.761 213 A CB -0.185 18.492 19.000 -0.539 0.000 0.801 213 A HN 0.456 nan 8.150 nan 0.000 0.473 214 S N -0.623 114.990 115.700 -0.145 0.000 2.977 214 S HA 0.264 4.730 4.470 -0.005 0.000 0.250 214 S C -0.477 174.072 174.600 -0.086 0.000 1.005 214 S CA -0.535 57.602 58.200 -0.106 0.000 1.081 214 S CB -0.289 62.848 63.200 -0.105 0.000 1.018 214 S HN 0.372 nan 8.310 nan 0.000 0.539 215 D N 1.919 122.268 120.400 -0.085 0.000 2.363 215 D HA 0.156 4.792 4.640 -0.005 0.000 0.240 215 D C 1.204 177.463 176.300 -0.069 0.000 1.236 215 D CA 0.046 54.000 54.000 -0.076 0.000 0.927 215 D CB 0.683 41.436 40.800 -0.078 0.000 1.150 215 D HN 0.256 nan 8.370 nan 0.000 0.458 216 E N -0.315 119.845 120.200 -0.066 0.000 2.072 216 E HA -0.164 4.183 4.350 -0.005 0.000 0.191 216 E C 0.272 176.833 176.600 -0.065 0.000 0.985 216 E CA 0.689 57.053 56.400 -0.060 0.000 0.801 216 E CB 0.089 29.755 29.700 -0.057 0.000 0.750 216 E HN 0.348 nan 8.360 nan 0.000 0.452 217 Q N 1.614 121.371 119.800 -0.072 0.000 2.307 217 Q HA -0.044 4.293 4.340 -0.005 0.000 0.261 217 Q C 0.299 176.248 176.000 -0.086 0.000 1.051 217 Q CA -0.040 55.715 55.803 -0.079 0.000 0.911 217 Q CB 0.896 29.585 28.738 -0.082 0.000 1.227 217 Q HN 0.195 nan 8.270 nan 0.000 0.418 218 D N 0.647 120.988 120.400 -0.097 0.000 2.182 218 D HA -0.195 4.441 4.640 -0.005 0.000 0.201 218 D C 0.709 176.938 176.300 -0.117 0.000 0.986 218 D CA 1.486 55.418 54.000 -0.114 0.000 0.847 218 D CB -0.185 40.524 40.800 -0.152 0.000 0.942 218 D HN 0.447 nan 8.370 nan 0.000 0.467 219 S N -0.842 114.789 115.700 -0.115 0.000 2.727 219 S HA 0.147 4.614 4.470 -0.005 0.000 0.226 219 S C 1.546 176.098 174.600 -0.079 0.000 0.963 219 S CA -0.108 58.029 58.200 -0.105 0.000 0.950 219 S CB 0.383 63.521 63.200 -0.104 0.000 0.779 219 S HN 0.201 nan 8.310 nan 0.000 0.532 220 V N 0.437 120.307 119.914 -0.073 0.000 3.137 220 V HA 0.210 4.326 4.120 -0.005 0.000 0.236 220 V C 2.528 178.594 176.094 -0.047 0.000 1.260 220 V CA 0.140 62.404 62.300 -0.058 0.000 1.244 220 V CB -0.116 31.666 31.823 -0.067 0.000 1.016 220 V HN 0.307 nan 8.190 nan 0.000 0.477 221 R N 0.589 121.053 120.500 -0.060 0.000 2.094 221 R HA -0.197 4.140 4.340 -0.005 0.000 0.239 221 R C 2.346 178.631 176.300 -0.024 0.000 1.137 221 R CA 2.254 58.322 56.100 -0.054 0.000 0.943 221 R CB -0.608 29.652 30.300 -0.065 0.000 0.850 221 R HN 0.617 nan 8.270 nan 0.000 0.433 222 L N -0.462 120.742 121.223 -0.031 0.000 2.265 222 L HA -0.057 4.280 4.340 -0.005 0.000 0.215 222 L C 1.481 178.369 176.870 0.031 0.000 1.117 222 L CA 1.340 56.180 54.840 -0.000 0.000 0.782 222 L CB -0.301 41.737 42.059 -0.034 0.000 0.914 222 L HN 0.107 nan 8.230 nan 0.000 0.441 223 L N 0.198 121.432 121.223 0.019 0.000 2.591 223 L HA 0.183 4.519 4.340 -0.005 0.000 0.228 223 L C 2.366 179.284 176.870 0.080 0.000 1.133 223 L CA 0.411 55.277 54.840 0.043 0.000 0.880 223 L CB -0.516 41.557 42.059 0.024 0.000 1.033 223 L HN 0.393 nan 8.230 nan 0.000 0.450 224 A N -0.636 122.239 122.820 0.091 0.000 2.140 224 A HA 0.095 4.412 4.320 -0.005 0.000 0.209 224 A C 2.118 179.858 177.584 0.259 0.000 1.181 224 A CA 0.171 52.314 52.037 0.175 0.000 0.824 224 A CB 0.024 19.073 19.000 0.081 0.000 0.879 224 A HN 0.104 nan 8.150 nan 0.000 0.480 225 V N 0.336 120.350 119.914 0.167 0.000 2.515 225 V HA -0.209 3.908 4.120 -0.005 0.000 0.250 225 V C 2.542 178.727 176.094 0.152 0.000 1.058 225 V CA 2.417 64.822 62.300 0.175 0.000 1.064 225 V CB -0.294 31.609 31.823 0.132 0.000 0.675 225 V HN 0.715 nan 8.190 nan 0.000 0.461 226 E N 0.904 121.179 120.200 0.125 0.000 2.106 226 E HA -0.116 4.230 4.350 -0.005 0.000 0.192 226 E C 1.958 178.600 176.600 0.070 0.000 0.984 226 E CA 1.462 57.917 56.400 0.093 0.000 0.806 226 E CB -0.355 29.395 29.700 0.084 0.000 0.750 226 E HN 0.522 nan 8.360 nan 0.000 0.458 227 A N -0.408 122.466 122.820 0.089 0.000 2.238 227 A HA -0.004 4.313 4.320 -0.005 0.000 0.208 227 A C 2.199 179.723 177.584 -0.098 0.000 1.177 227 A CA 0.722 52.776 52.037 0.027 0.000 0.804 227 A CB -0.948 18.096 19.000 0.073 0.000 0.823 227 A HN 0.514 nan 8.150 nan 0.000 0.482 228 C N -1.384 117.889 119.300 -0.044 0.000 2.464 228 C HA 0.032 4.489 4.460 -0.005 0.000 0.278 228 C C 2.445 177.350 174.990 -0.142 0.000 1.375 228 C CA 1.198 60.097 59.018 -0.198 0.000 1.761 228 C CB -1.233 26.567 27.740 0.099 0.000 1.944 228 C HN 0.410 nan 8.230 nan 0.000 0.509 229 V N 1.405 121.282 119.914 -0.062 0.000 2.358 229 V HA -0.189 3.928 4.120 -0.005 0.000 0.246 229 V C 2.268 178.318 176.094 -0.073 0.000 1.047 229 V CA 2.586 64.854 62.300 -0.054 0.000 1.035 229 V CB -1.002 30.810 31.823 -0.019 0.000 0.658 229 V HN 0.608 nan 8.190 nan 0.000 0.452 230 N N -0.138 118.518 118.700 -0.074 0.000 2.142 230 N HA -0.086 4.651 4.740 -0.005 0.000 0.186 230 N C 1.807 177.251 175.510 -0.110 0.000 1.023 230 N CA 1.342 54.347 53.050 -0.075 0.000 0.852 230 N CB -0.129 38.324 38.487 -0.057 0.000 0.998 230 N HN 0.406 nan 8.380 nan 0.000 0.424 231 I N 0.687 121.154 120.570 -0.172 0.000 2.315 231 I HA -0.177 3.990 4.170 -0.005 0.000 0.248 231 I C 2.362 178.381 176.117 -0.163 0.000 1.117 231 I CA 0.585 61.762 61.300 -0.205 0.000 1.404 231 I CB -0.417 37.365 38.000 -0.363 0.000 1.071 231 I HN 0.147 nan 8.210 nan 0.000 0.419 232 A N 0.324 123.050 122.820 -0.156 0.000 2.024 232 A HA -0.260 4.057 4.320 -0.005 0.000 0.220 232 A C 2.251 179.785 177.584 -0.083 0.000 1.164 232 A CA 1.652 53.624 52.037 -0.108 0.000 0.643 232 A CB -0.526 18.419 19.000 -0.091 0.000 0.806 232 A HN 0.486 nan 8.150 nan 0.000 0.451 233 Q N -0.608 119.143 119.800 -0.081 0.000 2.096 233 Q HA 0.036 4.373 4.340 -0.005 0.000 0.197 233 Q C 1.893 177.856 176.000 -0.061 0.000 0.964 233 Q CA 1.235 57.000 55.803 -0.064 0.000 0.838 233 Q CB -0.204 28.501 28.738 -0.056 0.000 0.906 233 Q HN 0.737 nan 8.270 nan 0.000 0.444 234 L N 0.229 121.409 121.223 -0.072 0.000 2.313 234 L HA 0.048 4.384 4.340 -0.005 0.000 0.214 234 L C 0.634 177.469 176.870 -0.059 0.000 1.119 234 L CA 0.154 54.954 54.840 -0.066 0.000 0.809 234 L CB -0.278 41.734 42.059 -0.078 0.000 0.933 234 L HN 0.124 nan 8.230 nan 0.000 0.449 235 L N 2.151 123.336 121.223 -0.063 0.000 2.350 235 L HA 0.310 4.646 4.340 -0.005 0.000 0.275 235 L C -1.911 174.935 176.870 -0.040 0.000 1.099 235 L CA -1.876 52.934 54.840 -0.050 0.000 0.808 235 L CB 0.794 42.820 42.059 -0.054 0.000 1.149 235 L HN -0.151 nan 8.230 nan 0.000 0.442 236 P HA 0.019 nan 4.420 nan 0.000 0.275 236 P C 0.104 177.391 177.300 -0.022 0.000 1.227 236 P CA -0.375 62.710 63.100 -0.025 0.000 0.781 236 P CB 1.319 33.007 31.700 -0.020 0.000 0.906 237 Q N 2.264 122.051 119.800 -0.022 0.000 2.028 237 Q HA -0.299 4.038 4.340 -0.005 0.000 0.215 237 Q C 1.570 177.562 176.000 -0.013 0.000 1.041 237 Q CA 2.571 58.363 55.803 -0.019 0.000 0.897 237 Q CB -0.572 28.155 28.738 -0.017 0.000 1.017 237 Q HN 0.520 nan 8.270 nan 0.000 0.418 238 E N 0.659 120.853 120.200 -0.009 0.000 2.164 238 E HA -0.246 4.100 4.350 -0.005 0.000 0.233 238 E C 1.690 178.289 176.600 -0.002 0.000 1.073 238 E CA 2.147 58.544 56.400 -0.005 0.000 0.941 238 E CB -0.411 29.287 29.700 -0.004 0.000 0.820 238 E HN 0.495 nan 8.360 nan 0.000 0.486 239 D N 0.208 120.606 120.400 -0.003 0.000 2.182 239 D HA -0.173 4.463 4.640 -0.005 0.000 0.201 239 D C 2.128 178.430 176.300 0.003 0.000 0.986 239 D CA 0.753 54.754 54.000 0.001 0.000 0.847 239 D CB -0.208 40.590 40.800 -0.003 0.000 0.942 239 D HN 0.165 nan 8.370 nan 0.000 0.467 240 L N 0.841 122.061 121.223 -0.004 0.000 1.991 240 L HA -0.263 4.074 4.340 -0.005 0.000 0.221 240 L C 2.490 179.369 176.870 0.014 0.000 1.079 240 L CA 1.526 56.365 54.840 -0.003 0.000 0.778 240 L CB -0.461 41.591 42.059 -0.012 0.000 0.893 240 L HN 0.007 nan 8.230 nan 0.000 0.437 241 E N -0.134 120.074 120.200 0.013 0.000 2.396 241 E HA -0.181 4.166 4.350 -0.005 0.000 0.200 241 E C 1.462 178.078 176.600 0.027 0.000 1.023 241 E CA 1.298 57.711 56.400 0.021 0.000 0.857 241 E CB 0.093 29.803 29.700 0.016 0.000 0.775 241 E HN 0.458 nan 8.360 nan 0.000 0.525 242 A N -1.056 121.779 122.820 0.026 0.000 2.127 242 A HA 0.272 4.588 4.320 -0.005 0.000 0.204 242 A C 1.802 179.412 177.584 0.044 0.000 1.243 242 A CA 0.113 52.168 52.037 0.031 0.000 0.887 242 A CB 0.188 19.201 19.000 0.023 0.000 0.933 242 A HN 0.242 nan 8.150 nan 0.000 0.479 243 L N -0.981 120.271 121.223 0.048 0.000 2.433 243 L HA 0.200 4.537 4.340 -0.005 0.000 0.200 243 L C 0.867 177.811 176.870 0.125 0.000 1.059 243 L CA 0.246 55.130 54.840 0.074 0.000 0.835 243 L CB -0.453 41.636 42.059 0.050 0.000 1.076 243 L HN 0.066 nan 8.230 nan 0.000 0.481 247 T N 1.501 116.100 114.554 0.076 0.000 2.653 247 T HA -0.197 4.150 4.350 -0.005 0.000 0.268 247 T C 1.660 176.413 174.700 0.087 0.000 1.035 247 T CA 1.837 63.960 62.100 0.040 0.000 1.154 247 T CB -0.585 68.299 68.868 0.026 0.000 0.862 247 T HN 0.082 nan 8.240 nan 0.000 0.441 248 L N 1.352 122.669 121.223 0.157 0.000 2.083 248 L HA -0.027 4.309 4.340 -0.005 0.000 0.209 248 L C 2.415 179.347 176.870 0.104 0.000 1.083 248 L CA 1.581 56.506 54.840 0.141 0.000 0.752 248 L CB -0.520 41.612 42.059 0.123 0.000 0.899 248 L HN 0.127 nan 8.230 nan 0.000 0.433 249 R N -1.011 119.541 120.500 0.086 0.000 2.075 249 R HA -0.170 4.167 4.340 -0.005 0.000 0.232 249 R C 2.206 178.545 176.300 0.064 0.000 1.126 249 R CA 1.227 57.374 56.100 0.078 0.000 0.963 249 R CB -0.549 29.790 30.300 0.064 0.000 0.858 249 R HN 0.378 nan 8.270 nan 0.000 0.435 250 Q N 1.415 121.243 119.800 0.046 0.000 2.077 250 Q HA -0.159 4.177 4.340 -0.005 0.000 0.206 250 Q C 1.990 178.009 176.000 0.032 0.000 0.989 250 Q CA 2.360 58.178 55.803 0.025 0.000 0.853 250 Q CB -0.446 28.289 28.738 -0.004 0.000 0.907 250 Q HN 0.340 nan 8.270 nan 0.000 0.418 251 A N 0.203 123.050 122.820 0.045 0.000 1.908 251 A HA -0.046 4.271 4.320 -0.005 0.000 0.218 251 A C 2.210 179.842 177.584 0.080 0.000 1.181 251 A CA 1.920 53.992 52.037 0.057 0.000 0.627 251 A CB -1.139 17.909 19.000 0.079 0.000 0.818 251 A HN 0.543 nan 8.150 nan 0.000 0.445 252 A N -1.165 121.714 122.820 0.098 0.000 2.248 252 A HA -0.022 4.295 4.320 -0.005 0.000 0.210 252 A C 1.754 179.383 177.584 0.076 0.000 1.174 252 A CA 1.379 53.480 52.037 0.107 0.000 0.750 252 A CB -0.298 18.784 19.000 0.137 0.000 0.780 252 A HN 0.657 nan 8.150 nan 0.000 0.478 253 E N -0.777 119.459 120.200 0.061 0.000 2.364 253 E HA -0.003 4.344 4.350 -0.005 0.000 0.203 253 E C -0.270 176.356 176.600 0.043 0.000 0.888 253 E CA -0.410 56.018 56.400 0.046 0.000 0.989 253 E CB 0.130 29.851 29.700 0.036 0.000 0.985 253 E HN 0.505 nan 8.360 nan 0.000 0.499 254 D N 1.863 122.286 120.400 0.038 0.000 2.844 254 D HA -0.161 4.476 4.640 -0.005 0.000 0.217 254 D C 1.005 177.328 176.300 0.037 0.000 1.121 254 D CA 0.553 54.567 54.000 0.024 0.000 0.829 254 D CB 0.811 41.620 40.800 0.015 0.000 1.194 254 D HN -0.084 nan 8.370 nan 0.000 0.513 255 K N 1.503 121.918 120.400 0.024 0.000 2.026 255 K HA -0.105 4.211 4.320 -0.005 0.000 0.208 255 K C 0.989 177.624 176.600 0.059 0.000 1.048 255 K CA 0.384 56.695 56.287 0.040 0.000 0.929 255 K CB -0.600 31.913 32.500 0.022 0.000 0.713 255 K HN 0.292 nan 8.250 nan 0.000 0.439 256 S N 3.081 118.780 115.700 -0.002 0.000 2.457 256 S HA -0.002 4.465 4.470 -0.005 0.000 0.294 256 S C 1.398 175.950 174.600 -0.080 0.000 1.201 256 S CA -0.603 57.542 58.200 -0.091 0.000 1.112 256 S CB -0.187 62.906 63.200 -0.179 0.000 1.018 256 S HN 0.404 nan 8.310 nan 0.000 0.511 257 W N 6.300 127.618 121.300 0.029 0.000 2.341 257 W HA -0.175 4.482 4.660 -0.005 0.000 0.283 257 W C 1.217 177.791 176.519 0.091 0.000 1.215 257 W CA 0.458 57.836 57.345 0.056 0.000 1.211 257 W CB -0.752 28.738 29.460 0.050 0.000 1.131 257 W HN 0.685 nan 8.180 nan 0.000 0.552 258 R N 0.906 120.842 120.500 -0.940 0.000 2.127 258 R HA -0.124 4.212 4.340 -0.005 0.000 0.238 258 R C 2.249 178.442 176.300 -0.178 0.000 1.134 258 R CA 1.780 57.381 56.100 -0.833 0.000 0.975 258 R CB -0.685 29.035 30.300 -0.966 0.000 0.865 258 R HN 0.241 nan 8.270 nan 0.000 0.447 259 V N 0.567 120.424 119.914 -0.095 0.000 2.331 259 V HA -0.139 3.978 4.120 -0.005 0.000 0.242 259 V C 2.395 178.569 176.094 0.133 0.000 1.034 259 V CA 1.167 63.480 62.300 0.022 0.000 1.027 259 V CB -0.402 31.418 31.823 -0.005 0.000 0.667 259 V HN 0.256 nan 8.190 nan 0.000 0.457 260 R N -0.864 119.727 120.500 0.151 0.000 2.140 260 R HA -0.210 4.127 4.340 -0.005 0.000 0.250 260 R C 1.376 177.809 176.300 0.222 0.000 1.150 260 R CA 1.586 57.792 56.100 0.177 0.000 0.966 260 R CB -0.610 29.801 30.300 0.185 0.000 0.869 260 R HN 0.588 nan 8.270 nan 0.000 0.445 264 A N 0.867 123.750 122.820 0.106 0.000 1.832 264 A HA -0.230 4.086 4.320 -0.005 0.000 0.214 264 A C 1.730 179.340 177.584 0.043 0.000 1.200 264 A CA 2.657 54.684 52.037 -0.017 0.000 0.610 264 A CB -0.727 18.148 19.000 -0.209 0.000 0.842 264 A HN 0.585 nan 8.150 nan 0.000 0.444 265 D N -0.361 119.996 120.400 -0.072 0.000 2.106 265 D HA -0.133 4.504 4.640 -0.005 0.000 0.191 265 D C 1.119 177.487 176.300 0.113 0.000 0.997 265 D CA 1.282 55.288 54.000 0.010 0.000 0.834 265 D CB -0.021 40.812 40.800 0.056 0.000 0.956 265 D HN 0.161 nan 8.370 nan 0.000 0.448 266 K N 0.126 120.609 120.400 0.138 0.000 2.790 266 K HA 0.002 4.319 4.320 -0.005 0.000 0.229 266 K C 0.944 177.627 176.600 0.139 0.000 1.040 266 K CA -0.227 56.133 56.287 0.121 0.000 1.211 266 K CB -0.483 32.080 32.500 0.104 0.000 1.002 266 K HN 0.258 nan 8.250 nan 0.000 0.479 267 F N 2.156 122.118 119.950 0.019 0.000 2.022 267 F HA -0.257 4.267 4.527 -0.005 0.000 0.293 267 F C 2.627 178.437 175.800 0.018 0.000 1.142 267 F CA 2.310 60.313 58.000 0.006 0.000 1.177 267 F CB -0.666 38.312 39.000 -0.038 0.000 0.982 267 F HN 0.230 nan 8.300 nan 0.000 0.473 268 T N -1.982 112.674 114.554 0.171 0.000 2.869 268 T HA -0.212 4.135 4.350 -0.005 0.000 0.270 268 T C 1.591 176.294 174.700 0.006 0.000 1.082 268 T CA 1.790 63.949 62.100 0.098 0.000 1.123 268 T CB -0.515 68.429 68.868 0.127 0.000 0.856 268 T HN 0.272 nan 8.240 nan 0.000 0.499 269 E N 0.830 121.034 120.200 0.006 0.000 2.152 269 E HA 0.195 4.542 4.350 -0.005 0.000 0.192 269 E C 2.084 178.650 176.600 -0.056 0.000 0.983 269 E CA 0.553 56.945 56.400 -0.013 0.000 0.818 269 E CB -0.377 29.330 29.700 0.010 0.000 0.758 269 E HN 0.499 nan 8.360 nan 0.000 0.467 270 L N 0.370 121.529 121.223 -0.107 0.000 1.993 270 L HA -0.203 4.134 4.340 -0.005 0.000 0.206 270 L C 2.647 179.415 176.870 -0.170 0.000 1.074 270 L CA 1.414 56.163 54.840 -0.153 0.000 0.746 270 L CB -0.563 41.351 42.059 -0.241 0.000 0.896 270 L HN 0.184 nan 8.230 nan 0.000 0.435 271 Q N 0.633 120.287 119.800 -0.243 0.000 2.066 271 Q HA -0.393 3.944 4.340 -0.005 0.000 0.216 271 Q C 2.240 178.176 176.000 -0.107 0.000 1.035 271 Q CA 2.803 58.509 55.803 -0.163 0.000 0.897 271 Q CB -0.194 28.497 28.738 -0.079 0.000 1.010 271 Q HN 0.294 nan 8.270 nan 0.000 0.416 272 K N -0.828 119.523 120.400 -0.082 0.000 2.032 272 K HA -0.192 4.125 4.320 -0.005 0.000 0.209 272 K C 1.988 178.551 176.600 -0.062 0.000 1.048 272 K CA 1.346 57.594 56.287 -0.065 0.000 0.927 272 K CB -0.251 32.221 32.500 -0.046 0.000 0.712 272 K HN 0.373 nan 8.250 nan 0.000 0.441 273 A N 0.514 123.296 122.820 -0.064 0.000 1.855 273 A HA -0.095 4.222 4.320 -0.005 0.000 0.215 273 A C 2.178 179.724 177.584 -0.063 0.000 1.191 273 A CA 1.572 53.573 52.037 -0.061 0.000 0.613 273 A CB -0.787 18.175 19.000 -0.062 0.000 0.829 273 A HN 0.133 nan 8.150 nan 0.000 0.442 274 V N -0.610 119.260 119.914 -0.073 0.000 2.227 274 V HA 0.123 4.240 4.120 -0.005 0.000 0.249 274 V C 1.562 177.624 176.094 -0.053 0.000 1.046 274 V CA 1.694 63.956 62.300 -0.064 0.000 1.015 274 V CB -1.703 30.076 31.823 -0.074 0.000 0.648 274 V HN 1.070 nan 8.190 nan 0.000 0.460 275 G N -2.042 106.724 108.800 -0.058 0.000 2.320 275 G HA2 0.393 4.350 3.960 -0.005 0.000 0.296 275 G HA3 0.393 4.350 3.960 -0.005 0.000 0.296 275 G C -2.806 172.059 174.900 -0.059 0.000 1.306 275 G CA 0.353 45.423 45.100 -0.050 0.000 0.836 275 G HN 0.134 nan 8.290 nan 0.000 0.517 276 P HA 0.151 nan 4.420 nan 0.000 0.238 276 P C 0.852 178.119 177.300 -0.054 0.000 1.183 276 P CA 0.818 63.878 63.100 -0.067 0.000 0.813 276 P CB 1.143 32.807 31.700 -0.059 0.000 0.944 277 E N 0.316 120.495 120.200 -0.035 0.000 2.065 277 E HA -0.001 4.346 4.350 -0.005 0.000 0.191 277 E C 1.819 178.414 176.600 -0.007 0.000 0.960 277 E CA 0.343 56.731 56.400 -0.020 0.000 0.824 277 E CB -0.565 29.127 29.700 -0.014 0.000 0.793 277 E HN -0.134 nan 8.360 nan 0.000 0.459 278 I N 1.580 122.145 120.570 -0.009 0.000 2.623 278 I HA -0.243 3.923 4.170 -0.005 0.000 0.261 278 I C 2.086 178.211 176.117 0.013 0.000 1.204 278 I CA 1.230 62.532 61.300 0.003 0.000 1.444 278 I CB -0.766 37.231 38.000 -0.006 0.000 1.094 278 I HN 0.155 nan 8.210 nan 0.000 0.451 279 T N -0.036 114.518 114.554 0.000 0.000 2.735 279 T HA -0.151 4.196 4.350 -0.005 0.000 0.256 279 T C 1.941 176.684 174.700 0.071 0.000 1.042 279 T CA 1.166 63.280 62.100 0.023 0.000 1.147 279 T CB -0.127 68.715 68.868 -0.043 0.000 0.865 279 T HN 0.325 nan 8.240 nan 0.000 0.421 280 K N 0.391 120.806 120.400 0.026 0.000 2.211 280 K HA -0.115 4.202 4.320 -0.005 0.000 0.204 280 K C 1.953 178.592 176.600 0.066 0.000 1.047 280 K CA 1.317 57.628 56.287 0.041 0.000 0.935 280 K CB -0.037 32.466 32.500 0.005 0.000 0.728 280 K HN 0.265 nan 8.250 nan 0.000 0.452 281 T N 0.332 114.920 114.554 0.057 0.000 2.866 281 T HA -0.016 4.331 4.350 -0.005 0.000 0.250 281 T C 1.043 175.789 174.700 0.077 0.000 1.033 281 T CA 1.061 63.195 62.100 0.057 0.000 1.145 281 T CB 0.024 68.915 68.868 0.039 0.000 0.866 281 T HN 0.239 nan 8.240 nan 0.000 0.434 282 D N 0.342 120.794 120.400 0.087 0.000 2.716 282 D HA 0.252 4.889 4.640 -0.005 0.000 0.273 282 D C 2.280 178.679 176.300 0.165 0.000 1.024 282 D CA 0.182 54.245 54.000 0.105 0.000 0.944 282 D CB 0.095 40.942 40.800 0.078 0.000 1.186 282 D HN 0.195 nan 8.370 nan 0.000 0.485 283 L N 1.114 122.449 121.223 0.186 0.000 1.994 283 L HA -0.130 4.206 4.340 -0.005 0.000 0.208 283 L C 2.628 179.786 176.870 0.479 0.000 1.071 283 L CA 0.851 55.886 54.840 0.324 0.000 0.745 283 L CB -0.648 41.529 42.059 0.198 0.000 0.892 283 L HN -0.088 nan 8.230 nan 0.000 0.431 284 V N 0.410 120.593 119.914 0.449 0.000 2.250 284 V HA -0.237 3.880 4.120 -0.005 0.000 0.250 284 V C -0.076 176.208 176.094 0.317 0.000 1.060 284 V CA 2.459 65.039 62.300 0.467 0.000 1.030 284 V CB -1.448 30.580 31.823 0.341 0.000 0.643 284 V HN 0.330 nan 8.190 nan 0.000 0.445 285 P HA -0.053 nan 4.420 nan 0.000 0.216 285 P C 1.656 179.028 177.300 0.120 0.000 1.153 285 P CA 1.730 64.911 63.100 0.136 0.000 0.844 285 P CB -0.166 31.596 31.700 0.104 0.000 0.787 286 A N -1.032 121.893 122.820 0.175 0.000 1.972 286 A HA -0.203 4.114 4.320 -0.005 0.000 0.219 286 A C 2.039 179.682 177.584 0.099 0.000 1.169 286 A CA 1.246 53.379 52.037 0.159 0.000 0.635 286 A CB -1.856 17.291 19.000 0.245 0.000 0.810 286 A HN 0.130 nan 8.150 nan 0.000 0.446 287 F N 0.788 120.699 119.950 -0.064 0.000 2.234 287 F HA -0.131 4.392 4.527 -0.005 0.000 0.299 287 F C 2.290 177.897 175.800 -0.322 0.000 1.087 287 F CA 1.808 59.531 58.000 -0.462 0.000 1.340 287 F CB -0.418 38.206 39.000 -0.627 0.000 1.031 287 F HN 0.342 nan 8.300 nan 0.000 0.500 288 Q N -0.030 119.642 119.800 -0.214 0.000 2.046 288 Q HA -0.192 4.145 4.340 -0.005 0.000 0.200 288 Q C 1.912 177.750 176.000 -0.269 0.000 0.975 288 Q CA 1.552 57.186 55.803 -0.282 0.000 0.836 288 Q CB -0.357 28.321 28.738 -0.100 0.000 0.896 288 Q HN 0.340 nan 8.270 nan 0.000 0.428 289 N N 0.452 119.059 118.700 -0.156 0.000 2.192 289 N HA -0.123 4.614 4.740 -0.005 0.000 0.188 289 N C 0.710 176.123 175.510 -0.162 0.000 1.013 289 N CA 0.925 53.904 53.050 -0.118 0.000 0.863 289 N CB -0.298 38.162 38.487 -0.046 0.000 0.990 289 N HN 0.193 nan 8.380 nan 0.000 0.430 293 D N -0.365 119.964 120.400 -0.117 0.000 2.357 293 D HA 0.063 4.699 4.640 -0.005 0.000 0.242 293 D C 1.218 177.474 176.300 -0.074 0.000 1.153 293 D CA -0.217 53.735 54.000 -0.080 0.000 0.918 293 D CB 0.920 41.677 40.800 -0.072 0.000 1.181 293 D HN 0.242 nan 8.370 nan 0.000 0.435 294 C N 0.857 120.124 119.300 -0.054 0.000 2.481 294 C HA 0.145 4.601 4.460 -0.005 0.000 0.275 294 C C 0.759 175.687 174.990 -0.104 0.000 1.419 294 C CA -0.313 58.666 59.018 -0.065 0.000 1.773 294 C CB -0.891 26.825 27.740 -0.040 0.000 1.862 294 C HN 0.460 nan 8.230 nan 0.000 0.530 295 E N 0.732 120.860 120.200 -0.120 0.000 2.109 295 E HA 0.505 4.852 4.350 -0.005 0.000 0.278 295 E C 0.941 177.429 176.600 -0.186 0.000 0.954 295 E CA -0.041 56.228 56.400 -0.219 0.000 0.779 295 E CB 1.391 30.894 29.700 -0.328 0.000 1.093 295 E HN 0.267 nan 8.360 nan 0.000 0.401 296 A N 4.786 127.488 122.820 -0.196 0.000 1.906 296 A HA -0.334 3.982 4.320 -0.005 0.000 0.222 296 A C 1.785 179.307 177.584 -0.104 0.000 1.282 296 A CA 2.284 54.233 52.037 -0.148 0.000 0.675 296 A CB -0.403 18.496 19.000 -0.167 0.000 0.838 296 A HN 0.610 nan 8.150 nan 0.000 0.469 297 E N -0.809 119.327 120.200 -0.108 0.000 1.995 297 E HA -0.136 4.211 4.350 -0.005 0.000 0.207 297 E C 1.992 178.620 176.600 0.047 0.000 1.016 297 E CA 1.310 57.739 56.400 0.048 0.000 0.865 297 E CB -0.891 28.898 29.700 0.149 0.000 0.797 297 E HN 0.206 nan 8.360 nan 0.000 0.491 298 V N 1.067 121.035 119.914 0.092 0.000 2.311 298 V HA -0.411 3.706 4.120 -0.005 0.000 0.259 298 V C 2.357 178.387 176.094 -0.106 0.000 1.086 298 V CA 2.370 64.666 62.300 -0.007 0.000 1.078 298 V CB -0.476 31.393 31.823 0.076 0.000 0.668 298 V HN 0.260 nan 8.190 nan 0.000 0.452 299 R N -0.760 119.680 120.500 -0.101 0.000 2.092 299 R HA -0.133 4.204 4.340 -0.005 0.000 0.226 299 R C 2.483 178.703 176.300 -0.134 0.000 1.140 299 R CA 1.595 57.613 56.100 -0.138 0.000 0.910 299 R CB -0.844 29.382 30.300 -0.123 0.000 0.822 299 R HN 0.536 nan 8.270 nan 0.000 0.433 300 A N 1.288 124.054 122.820 -0.090 0.000 1.903 300 A HA -0.236 4.080 4.320 -0.005 0.000 0.219 300 A C 2.382 179.928 177.584 -0.064 0.000 1.191 300 A CA 2.188 54.173 52.037 -0.087 0.000 0.638 300 A CB -0.904 18.087 19.000 -0.015 0.000 0.823 300 A HN 0.525 nan 8.150 nan 0.000 0.451 301 A N -0.608 122.193 122.820 -0.030 0.000 1.997 301 A HA 0.063 4.380 4.320 -0.005 0.000 0.221 301 A C 2.343 179.890 177.584 -0.061 0.000 1.172 301 A CA 2.362 54.364 52.037 -0.059 0.000 0.645 301 A CB -0.791 17.976 19.000 -0.389 0.000 0.813 301 A HN 1.248 nan 8.150 nan 0.000 0.454 302 A N -1.617 121.130 122.820 -0.121 0.000 2.195 302 A HA 0.254 4.571 4.320 -0.005 0.000 0.210 302 A C 2.228 179.784 177.584 -0.046 0.000 1.165 302 A CA 1.209 53.182 52.037 -0.108 0.000 0.806 302 A CB -0.331 18.491 19.000 -0.297 0.000 0.847 302 A HN 0.394 nan 8.150 nan 0.000 0.482 303 S N -0.607 115.034 115.700 -0.097 0.000 2.357 303 S HA -0.124 4.343 4.470 -0.005 0.000 0.221 303 S C 1.653 176.249 174.600 -0.007 0.000 1.031 303 S CA 1.340 59.484 58.200 -0.092 0.000 0.982 303 S CB -0.521 62.572 63.200 -0.178 0.000 0.853 303 S HN 0.797 nan 8.310 nan 0.000 0.458 304 H N 1.143 120.226 119.070 0.022 0.000 2.496 304 H HA -0.013 4.540 4.556 -0.005 0.000 0.296 304 H C 1.026 176.394 175.328 0.067 0.000 1.107 304 H CA 0.950 57.020 56.048 0.037 0.000 1.263 304 H CB 0.214 29.990 29.762 0.023 0.000 1.369 304 H HN 0.064 nan 8.280 nan 0.000 0.541 305 K N 0.441 120.967 120.400 0.209 0.000 2.493 305 K HA 0.099 4.415 4.320 -0.005 0.000 0.207 305 K C 1.053 177.772 176.600 0.199 0.000 1.033 305 K CA 0.054 56.449 56.287 0.180 0.000 1.161 305 K CB 0.878 33.463 32.500 0.141 0.000 0.873 305 K HN 0.181 nan 8.250 nan 0.000 0.491 306 V N 0.839 120.895 119.914 0.237 0.000 2.788 306 V HA -0.135 3.981 4.120 -0.005 0.000 0.251 306 V C 2.413 178.639 176.094 0.220 0.000 1.068 306 V CA 1.545 64.017 62.300 0.286 0.000 1.090 306 V CB -0.081 31.881 31.823 0.231 0.000 0.710 306 V HN 0.331 nan 8.190 nan 0.000 0.467 307 K N 0.371 120.867 120.400 0.160 0.000 2.021 307 K HA -0.166 4.151 4.320 -0.005 0.000 0.205 307 K C 2.130 178.796 176.600 0.109 0.000 1.047 307 K CA 1.637 57.998 56.287 0.122 0.000 0.943 307 K CB -0.151 32.404 32.500 0.093 0.000 0.725 307 K HN 0.441 nan 8.250 nan 0.000 0.439 308 E N -0.530 119.736 120.200 0.111 0.000 2.338 308 E HA -0.178 4.168 4.350 -0.005 0.000 0.197 308 E C 1.599 178.260 176.600 0.101 0.000 1.007 308 E CA 0.535 56.986 56.400 0.086 0.000 0.849 308 E CB -0.046 29.703 29.700 0.083 0.000 0.774 308 E HN 0.341 nan 8.360 nan 0.000 0.506 309 F N 0.238 120.158 119.950 -0.050 0.000 2.118 309 F HA -0.115 4.409 4.527 -0.006 0.000 0.293 309 F C 2.083 177.838 175.800 -0.075 0.000 1.102 309 F CA 1.145 59.072 58.000 -0.121 0.000 1.247 309 F CB -0.557 38.240 39.000 -0.337 0.000 1.017 309 F HN 0.123 nan 8.300 nan 0.000 0.475 310 C N 0.836 120.146 119.300 0.017 0.000 2.425 310 C HA -0.140 4.317 4.460 -0.005 0.000 0.277 310 C C 2.580 177.515 174.990 -0.093 0.000 1.280 310 C CA 1.081 60.058 59.018 -0.069 0.000 1.744 310 C CB -1.314 26.465 27.740 0.065 0.000 1.989 310 C HN 0.514 nan 8.230 nan 0.000 0.491 311 E N 1.248 121.424 120.200 -0.039 0.000 2.118 311 E HA -0.186 4.161 4.350 -0.005 0.000 0.195 311 E C 1.231 177.783 176.600 -0.079 0.000 0.992 311 E CA 1.135 57.511 56.400 -0.039 0.000 0.804 311 E CB -0.237 29.457 29.700 -0.010 0.000 0.741 311 E HN 0.630 nan 8.360 nan 0.000 0.458 312 N N 0.113 118.738 118.700 -0.125 0.000 2.336 312 N HA 0.086 4.823 4.740 -0.005 0.000 0.189 312 N C -0.089 175.296 175.510 -0.208 0.000 1.113 312 N CA 0.118 53.081 53.050 -0.144 0.000 0.858 312 N CB 0.216 38.628 38.487 -0.125 0.000 0.970 312 N HN 0.050 nan 8.380 nan 0.000 0.471 313 L N 0.824 121.885 121.223 -0.269 0.000 2.453 313 L HA 0.023 4.359 4.340 -0.005 0.000 0.272 313 L C 0.944 177.722 176.870 -0.155 0.000 1.182 313 L CA -0.035 54.639 54.840 -0.278 0.000 0.858 313 L CB 0.449 42.335 42.059 -0.288 0.000 1.120 313 L HN 0.035 nan 8.230 nan 0.000 0.474 314 S N 2.510 118.132 115.700 -0.130 0.000 2.643 314 S HA -0.099 4.368 4.470 -0.005 0.000 0.310 314 S C 1.363 175.925 174.600 -0.063 0.000 1.253 314 S CA 0.220 58.370 58.200 -0.082 0.000 1.047 314 S CB 0.726 63.887 63.200 -0.065 0.000 0.767 314 S HN 0.741 nan 8.310 nan 0.000 0.498 315 A N 3.994 126.785 122.820 -0.048 0.000 1.917 315 A HA -0.150 4.167 4.320 -0.005 0.000 0.219 315 A C 0.995 178.562 177.584 -0.027 0.000 1.182 315 A CA 1.981 53.997 52.037 -0.035 0.000 0.633 315 A CB -0.854 18.129 19.000 -0.027 0.000 0.819 315 A HN 0.994 nan 8.150 nan 0.000 0.448 316 D N -2.064 118.320 120.400 -0.025 0.000 2.896 316 D HA 0.350 4.987 4.640 -0.005 0.000 0.240 316 D C 0.431 176.721 176.300 -0.016 0.000 1.193 316 D CA 0.112 54.102 54.000 -0.018 0.000 0.983 316 D CB -0.382 40.410 40.800 -0.014 0.000 1.074 316 D HN 0.577 nan 8.370 nan 0.000 0.496 317 C N -1.960 117.329 119.300 -0.018 0.000 5.837 317 C HA 0.149 4.606 4.460 -0.005 0.000 0.320 317 C C 2.028 177.009 174.990 -0.015 0.000 0.742 317 C CA -0.035 58.975 59.018 -0.014 0.000 2.376 317 C CB -0.557 27.173 27.740 -0.016 0.000 2.046 317 C HN 0.424 nan 8.230 nan 0.000 0.350 318 R N 1.940 122.422 120.500 -0.030 0.000 2.273 318 R HA -0.361 3.976 4.340 -0.005 0.000 0.229 318 R C 1.999 178.294 176.300 -0.009 0.000 1.104 318 R CA 2.862 58.943 56.100 -0.033 0.000 0.870 318 R CB -0.910 29.366 30.300 -0.039 0.000 0.894 318 R HN 0.808 nan 8.270 nan 0.000 0.421 319 E N -0.452 119.747 120.200 -0.002 0.000 2.233 319 E HA -0.284 4.063 4.350 -0.005 0.000 0.199 319 E C 1.654 178.261 176.600 0.011 0.000 1.004 319 E CA 1.898 58.304 56.400 0.010 0.000 0.819 319 E CB -0.146 29.561 29.700 0.012 0.000 0.738 319 E HN 0.427 nan 8.360 nan 0.000 0.478 320 N N -0.379 118.325 118.700 0.007 0.000 2.182 320 N HA -0.149 4.587 4.740 -0.005 0.000 0.186 320 N C 1.944 177.463 175.510 0.014 0.000 1.036 320 N CA 1.970 55.026 53.050 0.009 0.000 0.850 320 N CB -0.254 38.238 38.487 0.008 0.000 1.010 320 N HN 0.124 nan 8.380 nan 0.000 0.432 321 V N -0.479 119.447 119.914 0.020 0.000 2.688 321 V HA 0.048 4.165 4.120 -0.005 0.000 0.256 321 V C 1.265 177.395 176.094 0.060 0.000 1.084 321 V CA 0.816 63.141 62.300 0.042 0.000 1.103 321 V CB -0.744 31.108 31.823 0.048 0.000 0.688 321 V HN 0.223 nan 8.190 nan 0.000 0.480 325 Q N 0.940 120.760 119.800 0.034 0.000 2.274 325 Q HA 0.398 4.735 4.340 -0.005 0.000 0.198 325 Q C 1.841 177.880 176.000 0.065 0.000 0.955 325 Q CA 0.943 56.782 55.803 0.058 0.000 0.859 325 Q CB -0.220 28.582 28.738 0.106 0.000 0.956 325 Q HN 0.499 nan 8.270 nan 0.000 0.516 326 I N 1.201 121.833 120.570 0.103 0.000 2.162 326 I HA -0.207 3.960 4.170 -0.005 0.000 0.238 326 I C 2.281 178.421 176.117 0.038 0.000 1.076 326 I CA 0.688 62.059 61.300 0.117 0.000 1.353 326 I CB -0.680 37.446 38.000 0.210 0.000 1.063 326 I HN 0.095 nan 8.210 nan 0.000 0.408 327 L N 1.113 122.344 121.223 0.013 0.000 2.270 327 L HA -0.165 4.172 4.340 -0.005 0.000 0.217 327 L C -0.751 176.086 176.870 -0.056 0.000 1.107 327 L CA 2.119 56.938 54.840 -0.035 0.000 0.772 327 L CB -1.373 40.630 42.059 -0.094 0.000 0.902 327 L HN 0.172 nan 8.230 nan 0.000 0.439 328 P HA -0.015 nan 4.420 nan 0.000 0.217 328 P C 1.875 179.143 177.300 -0.052 0.000 1.154 328 P CA 1.221 64.290 63.100 -0.052 0.000 0.841 328 P CB -0.027 31.647 31.700 -0.043 0.000 0.790 329 C N -0.975 118.289 119.300 -0.060 0.000 2.440 329 C HA -0.043 4.414 4.460 -0.005 0.000 0.278 329 C C 2.622 177.563 174.990 -0.082 0.000 1.295 329 C CA 0.450 59.415 59.018 -0.087 0.000 1.738 329 C CB -1.640 26.020 27.740 -0.135 0.000 1.987 329 C HN 0.178 nan 8.230 nan 0.000 0.492 330 I N 0.958 121.492 120.570 -0.060 0.000 2.179 330 I HA -0.231 3.936 4.170 -0.005 0.000 0.242 330 I C 2.541 178.637 176.117 -0.036 0.000 1.088 330 I CA 1.576 62.851 61.300 -0.042 0.000 1.357 330 I CB -0.475 37.519 38.000 -0.010 0.000 1.051 330 I HN 0.384 nan 8.210 nan 0.000 0.409 331 K N 0.273 120.652 120.400 -0.035 0.000 2.113 331 K HA -0.226 4.091 4.320 -0.005 0.000 0.208 331 K C 2.047 178.628 176.600 -0.031 0.000 1.047 331 K CA 1.270 57.539 56.287 -0.029 0.000 0.928 331 K CB -0.107 32.376 32.500 -0.029 0.000 0.716 331 K HN 0.294 nan 8.250 nan 0.000 0.446 332 E N 0.839 121.014 120.200 -0.042 0.000 2.072 332 E HA -0.106 4.240 4.350 -0.005 0.000 0.190 332 E C 2.114 178.684 176.600 -0.050 0.000 0.982 332 E CA 0.834 57.206 56.400 -0.046 0.000 0.803 332 E CB -0.057 29.609 29.700 -0.057 0.000 0.755 332 E HN 0.297 nan 8.360 nan 0.000 0.453 333 L N 0.579 121.766 121.223 -0.060 0.000 2.046 333 L HA -0.172 4.165 4.340 -0.005 0.000 0.208 333 L C 2.542 179.386 176.870 -0.043 0.000 1.077 333 L CA 0.693 55.494 54.840 -0.064 0.000 0.747 333 L CB -0.629 41.381 42.059 -0.082 0.000 0.896 333 L HN -0.009 nan 8.230 nan 0.000 0.432 334 V N -1.109 118.788 119.914 -0.028 0.000 2.428 334 V HA -0.278 3.838 4.120 -0.005 0.000 0.255 334 V C 1.225 177.312 176.094 -0.012 0.000 1.080 334 V CA 1.675 63.968 62.300 -0.011 0.000 1.083 334 V CB -0.611 31.213 31.823 0.002 0.000 0.665 334 V HN 0.348 nan 8.190 nan 0.000 0.461 335 S N -0.108 115.580 115.700 -0.019 0.000 2.257 335 S HA 0.257 4.724 4.470 -0.005 0.000 0.191 335 S C -0.096 174.487 174.600 -0.027 0.000 1.386 335 S CA -0.478 57.711 58.200 -0.018 0.000 1.233 335 S CB -0.005 63.185 63.200 -0.016 0.000 1.138 335 S HN 0.573 nan 8.310 nan 0.000 0.483 336 D N 0.916 121.298 120.400 -0.031 0.000 2.385 336 D HA 0.573 5.209 4.640 -0.005 0.000 0.254 336 D C 0.538 176.818 176.300 -0.033 0.000 1.053 336 D CA -0.554 53.423 54.000 -0.039 0.000 0.992 336 D CB 1.894 42.665 40.800 -0.049 0.000 1.145 336 D HN 0.296 nan 8.370 nan 0.000 0.523 337 A N 1.726 124.523 122.820 -0.039 0.000 2.267 337 A HA 0.041 4.358 4.320 -0.005 0.000 0.213 337 A C 0.775 178.334 177.584 -0.041 0.000 1.192 337 A CA -0.012 52.004 52.037 -0.036 0.000 0.851 337 A CB -0.222 18.755 19.000 -0.040 0.000 0.881 337 A HN 0.501 nan 8.150 nan 0.000 0.494 338 N N 0.620 119.291 118.700 -0.048 0.000 2.558 338 N HA 0.222 4.959 4.740 -0.005 0.000 0.233 338 N C 0.828 176.337 175.510 -0.002 0.000 1.038 338 N CA -0.186 52.828 53.050 -0.059 0.000 0.934 338 N CB 0.271 38.706 38.487 -0.088 0.000 1.175 338 N HN 0.351 nan 8.380 nan 0.000 0.512 339 Q N 1.107 120.931 119.800 0.040 0.000 2.165 339 Q HA -0.341 3.996 4.340 -0.005 0.000 0.215 339 Q C 0.757 176.871 176.000 0.190 0.000 1.010 339 Q CA 2.101 57.977 55.803 0.122 0.000 0.896 339 Q CB -0.363 28.487 28.738 0.187 0.000 0.956 339 Q HN 0.727 nan 8.270 nan 0.000 0.413 340 H N -0.573 118.476 119.070 -0.034 0.000 2.353 340 H HA -0.105 4.448 4.556 -0.006 0.000 0.298 340 H C 2.142 177.433 175.328 -0.063 0.000 1.103 340 H CA 1.451 57.480 56.048 -0.030 0.000 1.293 340 H CB -0.641 29.114 29.762 -0.011 0.000 1.372 340 H HN 0.057 nan 8.280 nan 0.000 0.501 341 V N 0.883 120.834 119.914 0.060 0.000 2.270 341 V HA -0.226 3.891 4.120 -0.005 0.000 0.245 341 V C 2.317 178.377 176.094 -0.057 0.000 1.043 341 V CA 1.764 64.042 62.300 -0.037 0.000 1.014 341 V CB -0.368 31.423 31.823 -0.054 0.000 0.645 341 V HN 0.368 nan 8.190 nan 0.000 0.447 342 K N 0.007 120.391 120.400 -0.025 0.000 2.074 342 K HA -0.220 4.097 4.320 -0.005 0.000 0.209 342 K C 2.517 179.095 176.600 -0.036 0.000 1.048 342 K CA 1.860 58.131 56.287 -0.026 0.000 0.926 342 K CB -0.413 32.083 32.500 -0.007 0.000 0.713 342 K HN 0.438 nan 8.250 nan 0.000 0.444 343 S N 0.387 116.068 115.700 -0.032 0.000 2.368 343 S HA -0.118 4.349 4.470 -0.005 0.000 0.224 343 S C 1.941 176.488 174.600 -0.088 0.000 1.029 343 S CA 1.109 59.277 58.200 -0.052 0.000 0.988 343 S CB -0.154 63.008 63.200 -0.062 0.000 0.838 343 S HN 0.358 nan 8.310 nan 0.000 0.462 344 A N 2.604 125.333 122.820 -0.152 0.000 1.836 344 A HA -0.070 4.246 4.320 -0.005 0.000 0.215 344 A C 2.286 179.708 177.584 -0.271 0.000 1.214 344 A CA 1.800 53.616 52.037 -0.369 0.000 0.636 344 A CB -1.480 17.177 19.000 -0.571 0.000 0.847 344 A HN 0.816 nan 8.150 nan 0.000 0.451 345 L N -0.928 120.172 121.223 -0.206 0.000 2.189 345 L HA -0.135 4.201 4.340 -0.005 0.000 0.214 345 L C 2.351 179.198 176.870 -0.039 0.000 1.097 345 L CA 1.978 56.760 54.840 -0.097 0.000 0.764 345 L CB -0.421 41.600 42.059 -0.064 0.000 0.900 345 L HN 0.384 nan 8.230 nan 0.000 0.436 346 A N 0.037 122.830 122.820 -0.045 0.000 2.139 346 A HA -0.207 4.110 4.320 -0.005 0.000 0.221 346 A C 2.441 180.006 177.584 -0.032 0.000 1.159 346 A CA 1.931 53.955 52.037 -0.021 0.000 0.662 346 A CB -0.681 18.302 19.000 -0.029 0.000 0.796 346 A HN 0.795 nan 8.150 nan 0.000 0.463 347 S N -0.851 114.832 115.700 -0.029 0.000 2.452 347 S HA -0.039 4.428 4.470 -0.005 0.000 0.225 347 S C 1.915 176.509 174.600 -0.011 0.000 1.057 347 S CA 0.942 59.128 58.200 -0.024 0.000 0.949 347 S CB -1.063 62.145 63.200 0.012 0.000 0.836 347 S HN 1.010 nan 8.310 nan 0.000 0.518 348 V N 1.334 121.261 119.914 0.022 0.000 2.323 348 V HA 0.187 4.304 4.120 -0.005 0.000 0.244 348 V C 1.606 177.731 176.094 0.052 0.000 1.041 348 V CA 0.533 62.859 62.300 0.044 0.000 1.025 348 V CB -1.218 30.652 31.823 0.078 0.000 0.656 348 V HN 0.631 nan 8.190 nan 0.000 0.451 352 L N 0.906 122.199 121.223 0.117 0.000 2.592 352 L HA 0.198 4.535 4.340 -0.005 0.000 0.227 352 L C 2.564 179.503 176.870 0.115 0.000 1.127 352 L CA 0.330 55.236 54.840 0.110 0.000 0.884 352 L CB 0.300 42.431 42.059 0.119 0.000 1.065 352 L HN 0.178 nan 8.230 nan 0.000 0.457 353 S N 1.115 116.903 115.700 0.146 0.000 2.348 353 S HA -0.064 4.403 4.470 -0.005 0.000 0.221 353 S C -0.527 174.127 174.600 0.090 0.000 1.033 353 S CA 1.471 59.758 58.200 0.145 0.000 1.010 353 S CB -0.841 62.471 63.200 0.187 0.000 0.891 353 S HN 0.342 nan 8.310 nan 0.000 0.442 354 P HA 0.004 nan 4.420 nan 0.000 0.226 354 P C 1.062 178.386 177.300 0.040 0.000 1.153 354 P CA 0.911 64.039 63.100 0.047 0.000 0.777 354 P CB -0.209 31.512 31.700 0.035 0.000 0.794 355 I N -0.636 119.960 120.570 0.045 0.000 2.296 355 I HA -0.107 4.060 4.170 -0.005 0.000 0.242 355 I C 2.455 178.594 176.117 0.038 0.000 1.087 355 I CA 0.894 62.215 61.300 0.035 0.000 1.393 355 I CB -0.729 37.291 38.000 0.035 0.000 1.093 355 I HN -0.216 nan 8.210 nan 0.000 0.421 356 L N 1.010 122.263 121.223 0.051 0.000 2.551 356 L HA 0.135 4.471 4.340 -0.005 0.000 0.228 356 L C 1.156 178.057 176.870 0.050 0.000 1.153 356 L CA 0.398 55.271 54.840 0.055 0.000 0.851 356 L CB -1.336 40.765 42.059 0.070 0.000 0.959 356 L HN 0.533 nan 8.230 nan 0.000 0.451 357 G N 0.750 109.577 108.800 0.045 0.000 2.760 357 G HA2 -0.317 3.640 3.960 -0.005 0.000 0.246 357 G HA3 -0.317 3.640 3.960 -0.005 0.000 0.246 357 G C 0.348 175.272 174.900 0.039 0.000 1.359 357 G CA 0.182 45.305 45.100 0.038 0.000 0.861 357 G HN 0.197 nan 8.290 nan 0.000 0.541 358 K N -0.597 119.822 120.400 0.031 0.000 2.103 358 K HA -0.050 4.267 4.320 -0.005 0.000 0.204 358 K C 1.829 178.438 176.600 0.015 0.000 1.052 358 K CA 1.787 58.091 56.287 0.029 0.000 0.945 358 K CB -0.215 32.300 32.500 0.025 0.000 0.722 358 K HN 0.530 nan 8.250 nan 0.000 0.443 359 D N 0.963 121.368 120.400 0.008 0.000 2.077 359 D HA -0.153 4.483 4.640 -0.005 0.000 0.197 359 D C 1.702 177.983 176.300 -0.032 0.000 0.983 359 D CA 0.998 54.991 54.000 -0.012 0.000 0.841 359 D CB -0.509 40.286 40.800 -0.009 0.000 0.992 359 D HN 0.252 nan 8.370 nan 0.000 0.450 360 N N 0.693 119.392 118.700 -0.001 0.000 2.060 360 N HA -0.140 4.597 4.740 -0.005 0.000 0.195 360 N C 1.912 177.423 175.510 0.002 0.000 1.028 360 N CA 1.316 54.382 53.050 0.026 0.000 0.861 360 N CB -0.768 37.810 38.487 0.151 0.000 1.029 360 N HN 0.162 nan 8.380 nan 0.000 0.428 361 T N 2.295 116.860 114.554 0.018 0.000 2.653 361 T HA -0.118 4.229 4.350 -0.005 0.000 0.268 361 T C 2.078 176.735 174.700 -0.072 0.000 1.035 361 T CA 1.034 63.133 62.100 -0.003 0.000 1.154 361 T CB -0.194 68.702 68.868 0.047 0.000 0.862 361 T HN 0.241 nan 8.240 nan 0.000 0.441 362 I N 0.414 120.949 120.570 -0.058 0.000 2.286 362 I HA -0.087 4.079 4.170 -0.005 0.000 0.245 362 I C 2.718 178.756 176.117 -0.130 0.000 1.104 362 I CA 1.269 62.525 61.300 -0.074 0.000 1.397 362 I CB -0.434 37.543 38.000 -0.039 0.000 1.072 362 I HN 0.350 nan 8.210 nan 0.000 0.417 363 E N 0.200 120.283 120.200 -0.194 0.000 2.152 363 E HA -0.198 4.148 4.350 -0.005 0.000 0.192 363 E C 1.953 178.314 176.600 -0.399 0.000 0.983 363 E CA 1.115 57.319 56.400 -0.326 0.000 0.818 363 E CB 0.214 29.633 29.700 -0.469 0.000 0.758 363 E HN 0.562 nan 8.360 nan 0.000 0.467 364 H N -0.804 118.214 119.070 -0.086 0.000 2.426 364 H HA 0.139 4.692 4.556 -0.005 0.000 0.286 364 H C 2.175 177.395 175.328 -0.180 0.000 0.990 364 H CA 0.411 56.397 56.048 -0.103 0.000 1.237 364 H CB 0.138 29.858 29.762 -0.070 0.000 1.466 364 H HN 0.136 nan 8.280 nan 0.000 0.525 365 L N 0.426 121.564 121.223 -0.140 0.000 2.209 365 L HA -0.052 4.285 4.340 -0.005 0.000 0.207 365 L C 2.424 178.717 176.870 -0.961 0.000 1.094 365 L CA 0.216 54.781 54.840 -0.459 0.000 0.790 365 L CB -0.166 41.637 42.059 -0.426 0.000 0.932 365 L HN 0.058 nan 8.230 nan 0.000 0.447 366 L N 1.101 121.918 121.223 -0.676 0.000 2.013 366 L HA -0.132 4.205 4.340 -0.005 0.000 0.212 366 L C -0.402 176.277 176.870 -0.318 0.000 1.073 366 L CA 2.295 56.818 54.840 -0.527 0.000 0.753 366 L CB -1.466 40.498 42.059 -0.158 0.000 0.890 366 L HN 0.045 nan 8.230 nan 0.000 0.432 367 P HA -0.226 nan 4.420 nan 0.000 0.216 367 P C 2.027 179.286 177.300 -0.068 0.000 1.157 367 P CA 1.821 64.864 63.100 -0.094 0.000 0.880 367 P CB -0.108 31.548 31.700 -0.074 0.000 0.791 368 L N -2.385 118.763 121.223 -0.125 0.000 2.017 368 L HA -0.174 4.162 4.340 -0.005 0.000 0.208 368 L C 2.522 179.466 176.870 0.123 0.000 1.073 368 L CA 1.646 56.472 54.840 -0.022 0.000 0.745 368 L CB -1.391 40.648 42.059 -0.034 0.000 0.894 368 L HN -0.029 nan 8.230 nan 0.000 0.432 369 F N -0.232 119.725 119.950 0.013 0.000 2.176 369 F HA -0.308 4.216 4.527 -0.006 0.000 0.301 369 F C 2.431 178.238 175.800 0.012 0.000 1.071 369 F CA 0.373 58.378 58.000 0.008 0.000 1.289 369 F CB -0.221 38.785 39.000 0.010 0.000 1.028 369 F HN 0.128 nan 8.300 nan 0.000 0.494 370 L N -0.005 121.331 121.223 0.188 0.000 2.044 370 L HA -0.108 4.229 4.340 -0.005 0.000 0.205 370 L C 2.845 179.766 176.870 0.086 0.000 1.075 370 L CA 1.690 56.600 54.840 0.116 0.000 0.747 370 L CB -1.974 40.131 42.059 0.076 0.000 0.903 370 L HN 0.071 nan 8.230 nan 0.000 0.435 371 A N -0.108 122.754 122.820 0.069 0.000 1.896 371 A HA -0.317 3.999 4.320 -0.005 0.000 0.220 371 A C 2.228 179.844 177.584 0.053 0.000 1.206 371 A CA 2.313 54.380 52.037 0.049 0.000 0.647 371 A CB -0.660 18.362 19.000 0.037 0.000 0.828 371 A HN 0.568 nan 8.150 nan 0.000 0.455 372 Q N -1.382 118.461 119.800 0.072 0.000 2.016 372 Q HA -0.080 4.257 4.340 -0.005 0.000 0.200 372 Q C 2.028 178.055 176.000 0.045 0.000 0.978 372 Q CA 1.141 56.977 55.803 0.055 0.000 0.833 372 Q CB -0.352 28.427 28.738 0.068 0.000 0.895 372 Q HN 0.457 nan 8.270 nan 0.000 0.427 373 L N 1.276 122.536 121.223 0.062 0.000 2.197 373 L HA -0.217 4.119 4.340 -0.005 0.000 0.215 373 L C 1.548 178.445 176.870 0.046 0.000 1.095 373 L CA 1.876 56.745 54.840 0.050 0.000 0.764 373 L CB -0.333 41.770 42.059 0.073 0.000 0.897 373 L HN 0.155 nan 8.230 nan 0.000 0.436 374 K N -1.389 119.039 120.400 0.047 0.000 2.334 374 K HA 0.013 4.330 4.320 -0.005 0.000 0.195 374 K C 0.452 177.071 176.600 0.031 0.000 1.045 374 K CA -0.322 55.990 56.287 0.041 0.000 1.004 374 K CB 0.219 32.745 32.500 0.042 0.000 0.837 374 K HN 0.168 nan 8.250 nan 0.000 0.510 375 D N 1.958 122.374 120.400 0.027 0.000 2.571 375 D HA -0.097 4.540 4.640 -0.005 0.000 0.231 375 D C 0.494 176.803 176.300 0.015 0.000 1.133 375 D CA 0.576 54.587 54.000 0.019 0.000 0.862 375 D CB 0.957 41.766 40.800 0.015 0.000 1.179 375 D HN 0.050 nan 8.370 nan 0.000 0.474 376 E N 1.822 122.030 120.200 0.013 0.000 2.007 376 E HA -0.165 4.181 4.350 -0.005 0.000 0.203 376 E C 0.974 177.578 176.600 0.006 0.000 1.020 376 E CA 0.953 57.360 56.400 0.012 0.000 0.845 376 E CB -0.484 29.223 29.700 0.012 0.000 0.779 376 E HN 0.559 nan 8.360 nan 0.000 0.466 377 C N 3.184 122.487 119.300 0.005 0.000 2.040 377 C HA -0.069 4.388 4.460 -0.005 0.000 0.431 377 C C -1.240 173.741 174.990 -0.015 0.000 1.468 377 C CA -1.222 57.796 59.018 0.001 0.000 1.473 377 C CB -0.642 27.104 27.740 0.010 0.000 2.716 377 C HN 0.233 nan 8.230 nan 0.000 0.621 378 P HA -0.214 nan 4.420 nan 0.000 0.218 378 P C 1.541 178.807 177.300 -0.057 0.000 1.165 378 P CA 2.091 65.164 63.100 -0.046 0.000 0.922 378 P CB 0.019 31.679 31.700 -0.066 0.000 0.794 379 E N -0.699 119.462 120.200 -0.065 0.000 2.136 379 E HA -0.181 4.166 4.350 -0.005 0.000 0.208 379 E C 2.065 178.629 176.600 -0.059 0.000 1.035 379 E CA 1.223 57.579 56.400 -0.074 0.000 0.838 379 E CB -1.680 27.969 29.700 -0.085 0.000 0.748 379 E HN 0.148 nan 8.360 nan 0.000 0.459 380 V N 1.028 120.917 119.914 -0.041 0.000 2.490 380 V HA -0.236 3.881 4.120 -0.005 0.000 0.250 380 V C 2.389 178.465 176.094 -0.030 0.000 1.061 380 V CA 1.954 64.236 62.300 -0.030 0.000 1.064 380 V CB -0.449 31.366 31.823 -0.014 0.000 0.670 380 V HN 0.185 nan 8.190 nan 0.000 0.461 381 R N -0.693 119.788 120.500 -0.030 0.000 2.057 381 R HA 0.030 4.367 4.340 -0.005 0.000 0.224 381 R C 2.316 178.585 176.300 -0.051 0.000 1.136 381 R CA 1.050 57.133 56.100 -0.028 0.000 0.968 381 R CB -0.526 29.765 30.300 -0.015 0.000 0.863 381 R HN 0.319 nan 8.270 nan 0.000 0.433 382 L N 1.638 122.823 121.223 -0.064 0.000 2.051 382 L HA -0.237 4.100 4.340 -0.005 0.000 0.214 382 L C 1.375 178.192 176.870 -0.088 0.000 1.076 382 L CA 1.647 56.437 54.840 -0.084 0.000 0.758 382 L CB -0.309 41.689 42.059 -0.102 0.000 0.890 382 L HN 0.156 nan 8.230 nan 0.000 0.433 383 N N -1.243 117.410 118.700 -0.078 0.000 2.550 383 N HA -0.069 4.668 4.740 -0.005 0.000 0.186 383 N C 1.441 176.896 175.510 -0.093 0.000 1.110 383 N CA 0.577 53.582 53.050 -0.076 0.000 0.912 383 N CB 0.126 38.579 38.487 -0.057 0.000 0.968 383 N HN 0.327 nan 8.380 nan 0.000 0.448 384 I N 0.022 120.531 120.570 -0.101 0.000 3.300 384 I HA 0.076 4.242 4.170 -0.005 0.000 0.279 384 I C 1.456 177.460 176.117 -0.189 0.000 1.172 384 I CA 0.271 61.485 61.300 -0.143 0.000 1.431 384 I CB -0.086 37.854 38.000 -0.100 0.000 1.240 384 I HN -0.112 nan 8.210 nan 0.000 0.453 385 I N 1.612 122.094 120.570 -0.145 0.000 2.300 385 I HA -0.245 3.922 4.170 -0.005 0.000 0.252 385 I C 1.965 177.933 176.117 -0.249 0.000 1.119 385 I CA 1.548 62.748 61.300 -0.166 0.000 1.384 385 I CB -1.355 36.590 38.000 -0.090 0.000 1.062 385 I HN 0.297 nan 8.210 nan 0.000 0.426 386 S N 0.106 115.688 115.700 -0.197 0.000 2.768 386 S HA 0.134 4.601 4.470 -0.005 0.000 0.246 386 S C 0.797 175.267 174.600 -0.217 0.000 1.006 386 S CA -0.225 57.860 58.200 -0.191 0.000 1.075 386 S CB -0.459 62.665 63.200 -0.127 0.000 0.786 386 S HN 0.438 nan 8.310 nan 0.000 0.468 387 N N 0.270 118.793 118.700 -0.296 0.000 2.039 387 N HA 0.234 4.971 4.740 -0.005 0.000 0.228 387 N C 0.524 175.829 175.510 -0.340 0.000 1.369 387 N CA 0.041 52.925 53.050 -0.276 0.000 0.806 387 N CB 0.510 38.845 38.487 -0.252 0.000 1.190 387 N HN 0.362 nan 8.380 nan 0.000 0.506 388 L N 0.681 121.610 121.223 -0.491 0.000 2.599 388 L HA 0.049 4.385 4.340 -0.005 0.000 0.230 388 L C 0.645 177.302 176.870 -0.355 0.000 1.141 388 L CA 0.543 55.087 54.840 -0.492 0.000 0.877 388 L CB -0.214 41.440 42.059 -0.676 0.000 1.009 388 L HN -0.145 nan 8.230 nan 0.000 0.447 389 D N -0.712 119.506 120.400 -0.304 0.000 2.351 389 D HA -0.154 4.483 4.640 -0.005 0.000 0.216 389 D C 1.771 178.071 176.300 -0.000 0.000 0.968 389 D CA 0.703 54.679 54.000 -0.041 0.000 0.899 389 D CB 0.001 40.774 40.800 -0.045 0.000 0.907 389 D HN 0.384 nan 8.370 nan 0.000 0.514 390 C N -0.936 118.336 119.300 -0.048 0.000 2.617 390 C HA 0.046 4.503 4.460 -0.005 0.000 0.297 390 C C 2.492 177.486 174.990 0.006 0.000 1.689 390 C CA 0.807 59.815 59.018 -0.017 0.000 2.073 390 C CB -0.372 27.348 27.740 -0.033 0.000 1.751 390 C HN 0.184 nan 8.230 nan 0.000 0.731 391 V N 3.818 123.725 119.914 -0.012 0.000 2.477 391 V HA -0.501 3.616 4.120 -0.005 0.000 0.221 391 V C 1.956 178.090 176.094 0.066 0.000 1.048 391 V CA 3.369 65.695 62.300 0.043 0.000 1.076 391 V CB -2.569 29.285 31.823 0.052 0.000 1.004 391 V HN 0.874 nan 8.190 nan 0.000 0.476 392 N N 1.338 120.077 118.700 0.065 0.000 2.322 392 N HA -0.249 4.488 4.740 -0.005 0.000 0.189 392 N C 1.461 176.998 175.510 0.044 0.000 1.012 392 N CA 2.284 55.369 53.050 0.059 0.000 0.880 392 N CB -0.620 37.901 38.487 0.057 0.000 0.967 392 N HN 0.794 nan 8.380 nan 0.000 0.439 393 E N -0.321 119.902 120.200 0.038 0.000 2.107 393 E HA -0.070 4.277 4.350 -0.005 0.000 0.191 393 E C 1.572 178.194 176.600 0.036 0.000 0.982 393 E CA 1.143 57.561 56.400 0.030 0.000 0.809 393 E CB 0.128 29.841 29.700 0.022 0.000 0.756 393 E HN 0.321 nan 8.360 nan 0.000 0.459 394 V N 2.179 122.122 119.914 0.048 0.000 2.326 394 V HA -0.014 4.103 4.120 -0.005 0.000 0.237 394 V C 1.509 177.637 176.094 0.057 0.000 1.044 394 V CA 0.566 62.899 62.300 0.055 0.000 1.035 394 V CB -0.269 31.599 31.823 0.075 0.000 0.675 394 V HN 0.242 nan 8.190 nan 0.000 0.470 395 I N 0.716 121.330 120.570 0.074 0.000 2.638 395 I HA 0.566 4.733 4.170 -0.005 0.000 0.286 395 I C 0.866 177.016 176.117 0.056 0.000 1.088 395 I CA -0.222 61.117 61.300 0.065 0.000 1.397 395 I CB 0.401 38.453 38.000 0.086 0.000 1.414 395 I HN 0.276 nan 8.210 nan 0.000 0.566 396 G N 4.065 112.891 108.800 0.045 0.000 2.818 396 G HA2 -0.055 3.901 3.960 -0.005 0.000 0.235 396 G HA3 -0.055 3.901 3.960 -0.005 0.000 0.235 396 G C 0.430 175.358 174.900 0.046 0.000 1.244 396 G CA 0.060 45.184 45.100 0.041 0.000 0.853 396 G HN 0.903 nan 8.290 nan 0.000 0.596 397 I N 0.188 120.782 120.570 0.040 0.000 2.676 397 I HA -0.035 4.132 4.170 -0.005 0.000 0.259 397 I C 2.651 178.796 176.117 0.048 0.000 1.194 397 I CA 0.957 62.280 61.300 0.037 0.000 1.473 397 I CB -0.173 37.843 38.000 0.027 0.000 1.096 397 I HN 0.659 nan 8.210 nan 0.000 0.443 398 R N -0.460 120.072 120.500 0.054 0.000 2.052 398 R HA -0.040 4.297 4.340 -0.005 0.000 0.224 398 R C 1.939 178.282 176.300 0.071 0.000 1.165 398 R CA 0.643 56.783 56.100 0.068 0.000 0.939 398 R CB -1.469 28.866 30.300 0.058 0.000 0.834 398 R HN 0.276 nan 8.270 nan 0.000 0.435 399 Q N 1.074 120.909 119.800 0.059 0.000 2.294 399 Q HA -0.216 4.121 4.340 -0.005 0.000 0.215 399 Q C 2.102 178.148 176.000 0.078 0.000 1.000 399 Q CA 1.730 57.569 55.803 0.061 0.000 0.916 399 Q CB -0.361 28.409 28.738 0.052 0.000 0.932 399 Q HN 0.326 nan 8.270 nan 0.000 0.420 400 L N 0.479 121.751 121.223 0.081 0.000 1.973 400 L HA -0.140 4.197 4.340 -0.005 0.000 0.208 400 L C 2.227 179.156 176.870 0.099 0.000 1.073 400 L CA 2.521 57.417 54.840 0.094 0.000 0.746 400 L CB -0.943 41.165 42.059 0.082 0.000 0.891 400 L HN 0.235 nan 8.230 nan 0.000 0.433 401 S N -1.672 114.084 115.700 0.094 0.000 2.537 401 S HA -0.200 4.267 4.470 -0.005 0.000 0.240 401 S C 1.794 176.494 174.600 0.166 0.000 0.981 401 S CA 1.215 59.500 58.200 0.141 0.000 0.948 401 S CB -0.473 62.844 63.200 0.196 0.000 0.759 401 S HN 0.731 nan 8.310 nan 0.000 0.531 402 Q N 1.016 120.888 119.800 0.120 0.000 2.442 402 Q HA 0.113 4.450 4.340 -0.005 0.000 0.228 402 Q C 0.918 176.968 176.000 0.084 0.000 0.902 402 Q CA 0.921 56.783 55.803 0.098 0.000 0.933 402 Q CB 0.425 29.209 28.738 0.076 0.000 1.071 402 Q HN 0.694 nan 8.270 nan 0.000 0.562 403 S N -1.000 114.751 115.700 0.085 0.000 2.843 403 S HA 0.276 4.742 4.470 -0.005 0.000 0.249 403 S C 0.335 174.993 174.600 0.095 0.000 1.047 403 S CA -0.432 57.814 58.200 0.078 0.000 1.042 403 S CB 1.104 64.340 63.200 0.060 0.000 0.936 403 S HN 0.279 nan 8.310 nan 0.000 0.531 404 L N -0.104 121.186 121.223 0.111 0.000 2.824 404 L HA 0.431 4.768 4.340 -0.005 0.000 0.284 404 L C 1.318 178.269 176.870 0.136 0.000 1.031 404 L CA 0.370 55.288 54.840 0.129 0.000 1.226 404 L CB -0.247 41.899 42.059 0.146 0.000 2.283 404 L HN 0.325 nan 8.230 nan 0.000 0.569 405 L N 1.643 122.947 121.223 0.135 0.000 2.042 405 L HA -0.066 4.271 4.340 -0.005 0.000 0.210 405 L C -0.645 176.308 176.870 0.138 0.000 1.076 405 L CA 2.389 57.314 54.840 0.141 0.000 0.749 405 L CB -1.750 40.398 42.059 0.149 0.000 0.893 405 L HN 0.131 nan 8.230 nan 0.000 0.432 406 P HA -0.151 nan 4.420 nan 0.000 0.215 406 P C 1.675 179.035 177.300 0.100 0.000 1.157 406 P CA 2.262 65.423 63.100 0.103 0.000 0.874 406 P CB -0.121 31.629 31.700 0.084 0.000 0.790 407 A N -1.093 121.788 122.820 0.101 0.000 1.969 407 A HA -0.142 4.175 4.320 -0.005 0.000 0.218 407 A C 2.212 179.866 177.584 0.117 0.000 1.169 407 A CA 1.219 53.315 52.037 0.099 0.000 0.635 407 A CB -1.575 17.481 19.000 0.094 0.000 0.810 407 A HN 0.122 nan 8.150 nan 0.000 0.445 408 I N -0.118 120.536 120.570 0.140 0.000 2.493 408 I HA -0.160 4.007 4.170 -0.005 0.000 0.254 408 I C 1.626 177.850 176.117 0.178 0.000 1.160 408 I CA 0.822 62.227 61.300 0.175 0.000 1.445 408 I CB 0.089 38.219 38.000 0.217 0.000 1.086 408 I HN 0.140 nan 8.210 nan 0.000 0.433 409 V N 0.062 120.065 119.914 0.148 0.000 3.573 409 V HA -0.105 4.012 4.120 -0.005 0.000 0.270 409 V C 1.927 178.095 176.094 0.124 0.000 1.221 409 V CA 0.925 63.306 62.300 0.134 0.000 1.163 409 V CB -0.375 31.510 31.823 0.103 0.000 0.847 409 V HN 0.340 nan 8.190 nan 0.000 0.468 410 E N 0.506 120.781 120.200 0.124 0.000 2.052 410 E HA 0.006 4.353 4.350 -0.005 0.000 0.192 410 E C 1.996 178.679 176.600 0.139 0.000 0.958 410 E CA 0.415 56.882 56.400 0.111 0.000 0.835 410 E CB -0.224 29.531 29.700 0.091 0.000 0.811 410 E HN 0.154 nan 8.360 nan 0.000 0.462 411 L N 1.392 122.696 121.223 0.135 0.000 2.171 411 L HA -0.263 4.074 4.340 -0.005 0.000 0.216 411 L C 2.346 179.336 176.870 0.201 0.000 1.084 411 L CA 2.041 56.964 54.840 0.138 0.000 0.771 411 L CB -2.087 40.043 42.059 0.118 0.000 0.890 411 L HN 0.279 nan 8.230 nan 0.000 0.437 412 A N -0.887 122.094 122.820 0.269 0.000 2.067 412 A HA -0.225 4.091 4.320 -0.005 0.000 0.224 412 A C 1.141 179.051 177.584 0.544 0.000 1.172 412 A CA 1.958 54.278 52.037 0.471 0.000 0.662 412 A CB -0.394 18.830 19.000 0.373 0.000 0.814 412 A HN 0.637 nan 8.150 nan 0.000 0.468 413 E N -0.631 119.762 120.200 0.323 0.000 3.079 413 E HA 0.198 4.545 4.350 -0.005 0.000 0.329 413 E C -1.592 175.120 176.600 0.187 0.000 1.166 413 E CA -0.143 56.432 56.400 0.292 0.000 0.876 413 E CB 0.441 30.300 29.700 0.265 0.000 1.479 413 E HN 0.671 nan 8.360 nan 0.000 0.384 414 D N -0.283 120.213 120.400 0.159 0.000 2.392 414 D HA 0.590 5.227 4.640 -0.005 0.000 0.246 414 D C 1.071 177.444 176.300 0.120 0.000 1.013 414 D CA -0.334 53.737 54.000 0.118 0.000 0.993 414 D CB 1.293 42.148 40.800 0.090 0.000 1.219 414 D HN 0.075 nan 8.370 nan 0.000 0.538 415 A N 1.176 124.057 122.820 0.102 0.000 2.106 415 A HA -0.142 4.175 4.320 -0.005 0.000 0.207 415 A C 0.608 178.267 177.584 0.124 0.000 1.226 415 A CA 1.131 53.233 52.037 0.109 0.000 0.783 415 A CB -1.093 17.956 19.000 0.082 0.000 0.826 415 A HN 0.615 nan 8.150 nan 0.000 0.507 416 K N 1.929 122.375 120.400 0.076 0.000 2.323 416 K HA -0.158 4.159 4.320 -0.005 0.000 0.262 416 K C 1.094 177.713 176.600 0.032 0.000 1.238 416 K CA 0.627 56.930 56.287 0.027 0.000 1.249 416 K CB -0.654 31.814 32.500 -0.053 0.000 0.805 416 K HN 0.872 nan 8.250 nan 0.000 0.489 417 W N 4.733 126.037 121.300 0.008 0.000 2.331 417 W HA -0.267 4.390 4.660 -0.005 0.000 0.291 417 W C 0.856 177.348 176.519 -0.045 0.000 1.214 417 W CA 0.675 58.012 57.345 -0.014 0.000 1.228 417 W CB -0.696 28.761 29.460 -0.006 0.000 1.135 417 W HN 0.440 nan 8.180 nan 0.000 0.537 418 R N 0.997 121.110 120.500 -0.644 0.000 2.193 418 R HA -0.103 4.234 4.340 -0.005 0.000 0.229 418 R C 2.198 178.349 176.300 -0.249 0.000 1.110 418 R CA 1.839 57.568 56.100 -0.617 0.000 0.988 418 R CB -0.488 29.340 30.300 -0.786 0.000 0.871 418 R HN 0.243 nan 8.270 nan 0.000 0.458 419 V N 0.001 119.822 119.914 -0.156 0.000 2.379 419 V HA -0.113 4.004 4.120 -0.005 0.000 0.243 419 V C 2.251 178.314 176.094 -0.052 0.000 1.035 419 V CA 1.098 63.349 62.300 -0.082 0.000 1.035 419 V CB -0.583 31.216 31.823 -0.039 0.000 0.673 419 V HN 0.183 nan 8.190 nan 0.000 0.457 420 R N 0.022 120.508 120.500 -0.023 0.000 2.097 420 R HA -0.204 4.132 4.340 -0.005 0.000 0.236 420 R C 2.379 178.538 176.300 -0.235 0.000 1.135 420 R CA 2.126 58.176 56.100 -0.084 0.000 0.934 420 R CB -0.936 29.338 30.300 -0.043 0.000 0.846 420 R HN 0.427 nan 8.270 nan 0.000 0.431 421 L N 1.042 122.185 121.223 -0.133 0.000 1.991 421 L HA -0.268 4.069 4.340 -0.005 0.000 0.221 421 L C 2.364 179.145 176.870 -0.149 0.000 1.079 421 L CA 2.385 57.146 54.840 -0.133 0.000 0.778 421 L CB -0.867 41.216 42.059 0.040 0.000 0.893 421 L HN 0.258 nan 8.230 nan 0.000 0.437 422 A N -0.510 122.247 122.820 -0.104 0.000 1.971 422 A HA -0.268 4.049 4.320 -0.005 0.000 0.222 422 A C 2.196 179.765 177.584 -0.025 0.000 1.182 422 A CA 2.413 54.406 52.037 -0.073 0.000 0.649 422 A CB -0.889 18.065 19.000 -0.077 0.000 0.818 422 A HN 0.551 nan 8.150 nan 0.000 0.458 423 I N -0.500 120.047 120.570 -0.038 0.000 2.235 423 I HA -0.130 4.036 4.170 -0.005 0.000 0.241 423 I C 2.483 178.586 176.117 -0.023 0.000 1.085 423 I CA 0.921 62.262 61.300 0.068 0.000 1.378 423 I CB -1.257 36.806 38.000 0.106 0.000 1.076 423 I HN 0.311 nan 8.210 nan 0.000 0.415 424 I N 1.039 121.369 120.570 -0.400 0.000 2.181 424 I HA -0.349 3.817 4.170 -0.005 0.000 0.247 424 I C 2.237 178.294 176.117 -0.100 0.000 1.081 424 I CA 1.658 62.666 61.300 -0.486 0.000 1.340 424 I CB -0.464 37.134 38.000 -0.670 0.000 1.036 424 I HN 0.343 nan 8.210 nan 0.000 0.417 425 E N -0.698 119.463 120.200 -0.064 0.000 2.347 425 E HA -0.155 4.192 4.350 -0.005 0.000 0.196 425 E C 0.443 177.099 176.600 0.093 0.000 1.008 425 E CA 0.365 56.768 56.400 0.004 0.000 0.852 425 E CB 0.033 29.727 29.700 -0.010 0.000 0.783 425 E HN 0.430 nan 8.360 nan 0.000 0.505 429 L N 0.208 121.333 121.223 -0.164 0.000 2.022 429 L HA 0.086 4.423 4.340 -0.005 0.000 0.204 429 L C 2.470 179.219 176.870 -0.203 0.000 1.076 429 L CA 0.770 55.531 54.840 -0.132 0.000 0.749 429 L CB -0.722 41.347 42.059 0.018 0.000 0.903 429 L HN -0.090 nan 8.230 nan 0.000 0.439 430 L N 0.118 121.127 121.223 -0.356 0.000 2.051 430 L HA -0.307 4.030 4.340 -0.005 0.000 0.214 430 L C 2.869 179.601 176.870 -0.229 0.000 1.076 430 L CA 1.376 56.015 54.840 -0.335 0.000 0.758 430 L CB -0.685 41.098 42.059 -0.460 0.000 0.890 430 L HN 0.337 nan 8.230 nan 0.000 0.433 431 A N 0.238 122.925 122.820 -0.221 0.000 1.842 431 A HA -0.218 4.099 4.320 -0.005 0.000 0.217 431 A C 2.375 179.881 177.584 -0.130 0.000 1.206 431 A CA 2.139 54.049 52.037 -0.213 0.000 0.630 431 A CB -1.521 17.173 19.000 -0.511 0.000 0.839 431 A HN 0.452 nan 8.150 nan 0.000 0.447 432 G N -1.176 107.471 108.800 -0.255 0.000 2.440 432 G HA2 -0.220 3.737 3.960 -0.005 0.000 0.218 432 G HA3 -0.220 3.737 3.960 -0.005 0.000 0.218 432 G C 1.613 176.465 174.900 -0.079 0.000 1.154 432 G CA 1.075 46.068 45.100 -0.178 0.000 0.767 432 G HN 0.688 nan 8.290 nan 0.000 0.552 433 Q N -0.161 119.580 119.800 -0.098 0.000 2.020 433 Q HA 0.023 4.359 4.340 -0.005 0.000 0.202 433 Q C 2.618 178.574 176.000 -0.072 0.000 0.982 433 Q CA 1.017 56.777 55.803 -0.070 0.000 0.838 433 Q CB -0.333 28.365 28.738 -0.067 0.000 0.899 433 Q HN 0.422 nan 8.270 nan 0.000 0.423 434 L N -0.254 120.886 121.223 -0.138 0.000 2.376 434 L HA 0.047 4.384 4.340 -0.005 0.000 0.219 434 L C 0.762 177.583 176.870 -0.080 0.000 1.133 434 L CA 0.409 55.122 54.840 -0.212 0.000 0.816 434 L CB -0.360 41.343 42.059 -0.595 0.000 0.933 434 L HN 0.373 nan 8.230 nan 0.000 0.449 435 G N -0.851 107.949 108.800 0.001 0.000 2.785 435 G HA2 -0.194 3.763 3.960 -0.005 0.000 0.686 435 G HA3 -0.194 3.763 3.960 -0.005 0.000 0.686 435 G C 0.182 175.109 174.900 0.044 0.000 1.155 435 G CA -0.306 44.829 45.100 0.058 0.000 0.760 435 G HN -0.156 nan 8.290 nan 0.000 0.624 436 V N 2.027 121.829 119.914 -0.187 0.000 2.231 436 V HA -0.211 3.906 4.120 -0.005 0.000 0.248 436 V C 2.977 178.946 176.094 -0.208 0.000 1.054 436 V CA 3.355 65.224 62.300 -0.718 0.000 1.015 436 V CB -0.338 30.738 31.823 -1.245 0.000 0.638 436 V HN 1.212 nan 8.190 nan 0.000 0.444 437 E N -0.027 120.113 120.200 -0.101 0.000 2.147 437 E HA -0.334 4.013 4.350 -0.005 0.000 0.199 437 E C 2.106 178.770 176.600 0.107 0.000 1.005 437 E CA 2.470 58.872 56.400 0.004 0.000 0.810 437 E CB -1.242 28.461 29.700 0.006 0.000 0.736 437 E HN 0.666 nan 8.360 nan 0.000 0.460 438 F N 1.162 121.108 119.950 -0.007 0.000 2.128 438 F HA -0.025 4.499 4.527 -0.005 0.000 0.295 438 F C 2.197 178.021 175.800 0.040 0.000 1.100 438 F CA 0.810 58.821 58.000 0.019 0.000 1.260 438 F CB -0.833 38.193 39.000 0.043 0.000 1.009 438 F HN 0.018 nan 8.300 nan 0.000 0.476 439 F N 1.761 121.909 119.950 0.330 0.000 2.043 439 F HA -0.259 4.265 4.527 -0.005 0.000 0.297 439 F C 2.369 178.283 175.800 0.189 0.000 1.121 439 F CA 2.405 60.541 58.000 0.228 0.000 1.199 439 F CB -0.944 38.116 39.000 0.099 0.000 0.968 439 F HN -0.042 nan 8.300 nan 0.000 0.478 440 D N 0.006 120.467 120.400 0.101 0.000 2.190 440 D HA -0.233 4.404 4.640 -0.005 0.000 0.200 440 D C 2.154 178.411 176.300 -0.072 0.000 0.992 440 D CA 1.639 55.655 54.000 0.027 0.000 0.854 440 D CB -0.321 40.559 40.800 0.133 0.000 0.936 440 D HN 0.593 nan 8.370 nan 0.000 0.462 441 E N -0.227 119.941 120.200 -0.055 0.000 2.102 441 E HA -0.069 4.278 4.350 -0.005 0.000 0.190 441 E C 1.232 177.745 176.600 -0.143 0.000 0.971 441 E CA 0.614 56.950 56.400 -0.107 0.000 0.821 441 E CB 0.399 30.015 29.700 -0.140 0.000 0.777 441 E HN -0.061 nan 8.360 nan 0.000 0.460 442 K N -0.515 119.809 120.400 -0.125 0.000 2.450 442 K HA 0.129 4.445 4.320 -0.005 0.000 0.206 442 K C 1.295 177.867 176.600 -0.047 0.000 1.148 442 K CA 0.004 56.233 56.287 -0.096 0.000 1.014 442 K CB 0.843 33.253 32.500 -0.149 0.000 0.966 442 K HN 0.105 nan 8.250 nan 0.000 0.566 443 L N 0.982 122.125 121.223 -0.134 0.000 2.445 443 L HA 0.147 4.483 4.340 -0.005 0.000 0.207 443 L C 1.958 178.488 176.870 -0.567 0.000 1.053 443 L CA 0.930 55.608 54.840 -0.270 0.000 0.841 443 L CB -0.644 41.345 42.059 -0.116 0.000 1.074 443 L HN 0.063 nan 8.230 nan 0.000 0.479 444 N N 0.080 118.203 118.700 -0.962 0.000 2.106 444 N HA -0.325 4.412 4.740 -0.005 0.000 0.200 444 N C 1.916 177.242 175.510 -0.307 0.000 1.014 444 N CA 2.480 55.140 53.050 -0.649 0.000 0.891 444 N CB -0.253 38.002 38.487 -0.387 0.000 1.069 444 N HN 0.453 nan 8.380 nan 0.000 0.490 445 S N 0.171 115.712 115.700 -0.265 0.000 2.389 445 S HA -0.238 4.229 4.470 -0.005 0.000 0.229 445 S C 2.002 176.422 174.600 -0.300 0.000 1.048 445 S CA 1.707 59.775 58.200 -0.220 0.000 1.117 445 S CB -1.086 62.006 63.200 -0.180 0.000 1.020 445 S HN 0.263 nan 8.310 nan 0.000 0.430 446 L N 1.688 122.679 121.223 -0.386 0.000 2.010 446 L HA -0.082 4.255 4.340 -0.005 0.000 0.219 446 L C 2.355 178.595 176.870 -1.050 0.000 1.077 446 L CA 0.551 54.975 54.840 -0.692 0.000 0.773 446 L CB -1.990 39.667 42.059 -0.669 0.000 0.892 446 L HN 0.576 nan 8.230 nan 0.000 0.436 450 W N 0.609 121.921 121.300 0.021 0.000 2.341 450 W HA -0.096 4.560 4.660 -0.005 0.000 0.283 450 W C 1.627 178.141 176.519 -0.009 0.000 1.215 450 W CA 1.368 58.721 57.345 0.013 0.000 1.211 450 W CB -0.905 28.572 29.460 0.028 0.000 1.131 450 W HN 0.357 nan 8.180 nan 0.000 0.552 451 L N -0.206 121.146 121.223 0.214 0.000 2.450 451 L HA -0.101 4.236 4.340 -0.005 0.000 0.224 451 L C 1.176 178.107 176.870 0.102 0.000 1.149 451 L CA 1.361 56.274 54.840 0.122 0.000 0.816 451 L CB -0.494 41.621 42.059 0.094 0.000 0.932 451 L HN -0.270 nan 8.230 nan 0.000 0.449 452 V N -1.257 118.727 119.914 0.116 0.000 2.838 452 V HA 0.203 4.319 4.120 -0.005 0.000 0.363 452 V C 0.191 176.341 176.094 0.094 0.000 1.324 452 V CA -0.716 61.686 62.300 0.170 0.000 1.220 452 V CB 0.197 32.075 31.823 0.092 0.000 1.328 452 V HN 0.137 nan 8.190 nan 0.000 0.595 453 D N -0.127 120.307 120.400 0.056 0.000 2.344 453 D HA 0.149 4.785 4.640 -0.005 0.000 0.244 453 D C 0.965 177.236 176.300 -0.047 0.000 1.134 453 D CA -0.018 53.992 54.000 0.018 0.000 0.930 453 D CB 1.407 42.255 40.800 0.080 0.000 1.175 453 D HN 0.405 nan 8.370 nan 0.000 0.437 454 H N 0.025 119.131 119.070 0.061 0.000 2.326 454 H HA -0.030 4.523 4.556 -0.006 0.000 0.301 454 H C 0.758 176.053 175.328 -0.055 0.000 1.081 454 H CA 0.693 56.755 56.048 0.023 0.000 1.334 454 H CB 0.243 30.030 29.762 0.043 0.000 1.385 454 H HN 0.018 nan 8.280 nan 0.000 0.504 455 V N 1.970 121.900 119.914 0.027 0.000 2.427 455 V HA -0.090 4.027 4.120 -0.005 0.000 0.268 455 V C 0.936 176.908 176.094 -0.203 0.000 1.046 455 V CA -0.074 62.129 62.300 -0.162 0.000 0.970 455 V CB -0.123 31.470 31.823 -0.382 0.000 1.001 455 V HN 0.422 nan 8.190 nan 0.000 0.476 456 Y N 6.826 126.952 120.300 -0.290 0.000 2.069 456 Y HA -0.332 4.215 4.550 -0.006 0.000 0.278 456 Y C 2.152 177.866 175.900 -0.311 0.000 1.175 456 Y CA 2.844 60.777 58.100 -0.280 0.000 1.134 456 Y CB -0.392 37.915 38.460 -0.254 0.000 0.965 456 Y HN 0.726 nan 8.280 nan 0.000 0.498 457 A N 0.514 123.165 122.820 -0.282 0.000 1.958 457 A HA -0.243 4.074 4.320 -0.005 0.000 0.221 457 A C 2.181 179.552 177.584 -0.354 0.000 1.178 457 A CA 2.114 53.927 52.037 -0.373 0.000 0.642 457 A CB -1.008 17.608 19.000 -0.640 0.000 0.816 457 A HN 0.580 nan 8.150 nan 0.000 0.453 458 I N -0.686 119.685 120.570 -0.332 0.000 2.439 458 I HA -0.142 4.025 4.170 -0.005 0.000 0.251 458 I C 2.532 178.529 176.117 -0.201 0.000 1.139 458 I CA 1.179 62.359 61.300 -0.200 0.000 1.438 458 I CB -1.024 36.906 38.000 -0.116 0.000 1.085 458 I HN 0.407 nan 8.210 nan 0.000 0.427 459 R N 0.510 120.840 120.500 -0.283 0.000 2.057 459 R HA -0.156 4.181 4.340 -0.005 0.000 0.229 459 R C 2.109 178.211 176.300 -0.329 0.000 1.136 459 R CA 1.224 57.177 56.100 -0.246 0.000 0.952 459 R CB -0.473 29.652 30.300 -0.291 0.000 0.848 459 R HN 0.369 nan 8.270 nan 0.000 0.430 460 E N 1.350 121.188 120.200 -0.602 0.000 2.086 460 E HA -0.285 4.062 4.350 -0.005 0.000 0.200 460 E C 1.940 178.373 176.600 -0.277 0.000 1.012 460 E CA 1.690 57.758 56.400 -0.552 0.000 0.812 460 E CB -0.113 29.149 29.700 -0.730 0.000 0.743 460 E HN 0.352 nan 8.360 nan 0.000 0.453 461 A N 1.258 123.941 122.820 -0.229 0.000 1.851 461 A HA -0.133 4.184 4.320 -0.005 0.000 0.216 461 A C 2.496 180.034 177.584 -0.076 0.000 1.195 461 A CA 2.368 54.326 52.037 -0.131 0.000 0.622 461 A CB -1.101 17.821 19.000 -0.130 0.000 0.831 461 A HN 0.487 nan 8.150 nan 0.000 0.444 462 A N -1.308 121.485 122.820 -0.045 0.000 2.015 462 A HA -0.015 4.302 4.320 -0.005 0.000 0.219 462 A C 2.243 179.877 177.584 0.083 0.000 1.163 462 A CA 2.170 54.267 52.037 0.101 0.000 0.646 462 A CB -1.133 18.025 19.000 0.264 0.000 0.806 462 A HN 0.474 nan 8.150 nan 0.000 0.448 463 T N -0.391 114.163 114.554 -0.001 0.000 2.614 463 T HA -0.176 4.171 4.350 -0.005 0.000 0.263 463 T C 2.299 177.009 174.700 0.017 0.000 1.055 463 T CA 1.911 64.013 62.100 0.002 0.000 1.162 463 T CB -0.562 68.265 68.868 -0.068 0.000 0.863 463 T HN 0.589 nan 8.240 nan 0.000 0.414 464 S N 1.867 117.557 115.700 -0.017 0.000 2.372 464 S HA -0.269 4.198 4.470 -0.005 0.000 0.227 464 S C 2.100 176.714 174.600 0.023 0.000 1.044 464 S CA 1.816 60.014 58.200 -0.003 0.000 1.050 464 S CB -0.923 62.263 63.200 -0.024 0.000 0.901 464 S HN 0.550 nan 8.310 nan 0.000 0.447 465 N N 0.794 119.516 118.700 0.036 0.000 2.405 465 N HA -0.134 4.603 4.740 -0.005 0.000 0.189 465 N C 1.694 177.258 175.510 0.091 0.000 1.021 465 N CA 1.315 54.404 53.050 0.065 0.000 0.891 465 N CB -0.301 38.257 38.487 0.118 0.000 0.955 465 N HN 0.541 nan 8.380 nan 0.000 0.443 466 L N 0.598 121.884 121.223 0.105 0.000 2.095 466 L HA -0.093 4.244 4.340 -0.005 0.000 0.204 466 L C 2.671 179.607 176.870 0.110 0.000 1.080 466 L CA 0.883 55.806 54.840 0.139 0.000 0.759 466 L CB -0.519 41.614 42.059 0.123 0.000 0.914 466 L HN 0.159 nan 8.230 nan 0.000 0.439 467 K N 0.496 120.936 120.400 0.067 0.000 2.074 467 K HA -0.214 4.103 4.320 -0.005 0.000 0.209 467 K C 2.173 178.782 176.600 0.014 0.000 1.048 467 K CA 1.309 57.623 56.287 0.045 0.000 0.926 467 K CB 0.132 32.648 32.500 0.027 0.000 0.713 467 K HN 0.088 nan 8.250 nan 0.000 0.444 468 K N 0.774 121.169 120.400 -0.008 0.000 2.063 468 K HA -0.135 4.182 4.320 -0.005 0.000 0.208 468 K C 2.207 178.720 176.600 -0.145 0.000 1.048 468 K CA 1.230 57.477 56.287 -0.067 0.000 0.928 468 K CB -0.316 32.145 32.500 -0.066 0.000 0.713 468 K HN 0.265 nan 8.250 nan 0.000 0.442 469 L N 0.332 121.487 121.223 -0.113 0.000 2.027 469 L HA -0.134 4.203 4.340 -0.005 0.000 0.206 469 L C 2.447 179.206 176.870 -0.186 0.000 1.074 469 L CA 0.645 55.329 54.840 -0.260 0.000 0.745 469 L CB -0.584 41.475 42.059 0.000 0.000 0.898 469 L HN -0.142 nan 8.230 nan 0.000 0.433 470 V N 0.139 120.135 119.914 0.136 0.000 2.453 470 V HA -0.295 3.822 4.120 -0.005 0.000 0.252 470 V C 2.315 178.431 176.094 0.037 0.000 1.068 470 V CA 1.796 64.224 62.300 0.214 0.000 1.070 470 V CB -0.543 31.412 31.823 0.220 0.000 0.664 470 V HN 0.483 nan 8.190 nan 0.000 0.461 471 E N -0.605 119.562 120.200 -0.055 0.000 2.204 471 E HA -0.220 4.126 4.350 -0.005 0.000 0.194 471 E C 2.118 178.622 176.600 -0.160 0.000 0.989 471 E CA 0.893 57.245 56.400 -0.080 0.000 0.824 471 E CB -0.009 29.640 29.700 -0.085 0.000 0.756 471 E HN 0.429 nan 8.360 nan 0.000 0.477 472 K N -0.491 119.709 120.400 -0.334 0.000 2.242 472 K HA 0.044 4.360 4.320 -0.005 0.000 0.200 472 K C 0.549 176.864 176.600 -0.476 0.000 1.050 472 K CA 0.591 56.554 56.287 -0.540 0.000 0.981 472 K CB 0.400 32.306 32.500 -0.990 0.000 0.795 472 K HN -0.012 nan 8.250 nan 0.000 0.477 473 F N 0.091 119.845 119.950 -0.327 0.000 2.683 473 F HA 0.422 4.946 4.527 -0.005 0.000 0.306 473 F C 0.444 176.181 175.800 -0.104 0.000 1.102 473 F CA -0.490 57.269 58.000 -0.403 0.000 1.244 473 F CB 0.481 38.819 39.000 -1.104 0.000 1.029 473 F HN 0.025 nan 8.300 nan 0.000 0.545 474 G N 1.589 110.479 108.800 0.151 0.000 2.750 474 G HA2 -0.258 3.699 3.960 -0.005 0.000 0.686 474 G HA3 -0.258 3.699 3.960 -0.005 0.000 0.686 474 G C 0.955 176.019 174.900 0.274 0.000 1.395 474 G CA -0.170 45.038 45.100 0.180 0.000 0.918 474 G HN 0.357 nan 8.290 nan 0.000 0.594 475 K N 0.783 121.299 120.400 0.192 0.000 2.211 475 K HA -0.182 4.135 4.320 -0.005 0.000 0.204 475 K C 2.029 178.751 176.600 0.204 0.000 1.047 475 K CA 2.112 58.508 56.287 0.182 0.000 0.935 475 K CB -0.158 32.414 32.500 0.121 0.000 0.728 475 K HN 0.784 nan 8.250 nan 0.000 0.452 476 E N 1.150 121.473 120.200 0.204 0.000 2.077 476 E HA -0.226 4.120 4.350 -0.005 0.000 0.193 476 E C 1.985 178.725 176.600 0.234 0.000 0.989 476 E CA 1.148 57.660 56.400 0.186 0.000 0.800 476 E CB -0.834 28.950 29.700 0.141 0.000 0.746 476 E HN 0.581 nan 8.360 nan 0.000 0.452 477 W N 2.748 124.093 121.300 0.076 0.000 2.354 477 W HA -0.074 4.583 4.660 -0.005 0.000 0.315 477 W C 2.636 179.211 176.519 0.093 0.000 1.206 477 W CA 2.533 59.921 57.345 0.072 0.000 1.290 477 W CB -0.548 28.975 29.460 0.105 0.000 1.152 477 W HN 0.122 nan 8.180 nan 0.000 0.489 478 A N -0.577 122.336 122.820 0.155 0.000 2.042 478 A HA -0.336 3.980 4.320 -0.005 0.000 0.222 478 A C 1.914 179.416 177.584 -0.138 0.000 1.167 478 A CA 2.233 54.172 52.037 -0.163 0.000 0.649 478 A CB -1.387 17.660 19.000 0.078 0.000 0.809 478 A HN 0.632 nan 8.150 nan 0.000 0.457 479 H N -0.767 118.216 119.070 -0.145 0.000 2.548 479 H HA 0.361 4.914 4.556 -0.005 0.000 0.268 479 H C 1.548 176.746 175.328 -0.218 0.000 0.975 479 H CA 0.933 56.865 56.048 -0.194 0.000 1.195 479 H CB -0.002 29.663 29.762 -0.161 0.000 1.397 479 H HN 0.389 nan 8.280 nan 0.000 0.572 480 A N -1.200 121.567 122.820 -0.089 0.000 2.469 480 A HA 0.251 4.568 4.320 -0.005 0.000 0.245 480 A C 1.187 178.635 177.584 -0.228 0.000 1.221 480 A CA 0.416 52.364 52.037 -0.149 0.000 0.946 480 A CB 0.393 19.321 19.000 -0.121 0.000 1.049 480 A HN 0.325 nan 8.150 nan 0.000 0.529 481 T N -1.365 112.941 114.554 -0.412 0.000 3.046 481 T HA 0.362 4.708 4.350 -0.005 0.000 0.270 481 T C 1.027 175.455 174.700 -0.454 0.000 0.920 481 T CA 0.341 62.146 62.100 -0.491 0.000 0.874 481 T CB 0.089 68.452 68.868 -0.842 0.000 1.214 481 T HN 0.249 nan 8.240 nan 0.000 0.536 482 I N 0.068 120.382 120.570 -0.426 0.000 3.685 482 I HA 0.174 4.341 4.170 -0.005 0.000 0.258 482 I C 1.532 177.553 176.117 -0.160 0.000 1.135 482 I CA -0.234 60.897 61.300 -0.282 0.000 1.436 482 I CB 0.257 38.059 38.000 -0.330 0.000 1.670 482 I HN -0.039 nan 8.210 nan 0.000 0.424 483 I N 2.035 122.514 120.570 -0.151 0.000 2.290 483 I HA -0.225 3.941 4.170 -0.005 0.000 0.253 483 I C -0.480 175.590 176.117 -0.078 0.000 1.112 483 I CA 2.205 63.440 61.300 -0.108 0.000 1.377 483 I CB -2.376 35.527 38.000 -0.161 0.000 1.060 483 I HN 0.196 nan 8.210 nan 0.000 0.428 484 P HA -0.141 nan 4.420 nan 0.000 0.212 484 P C 1.724 178.998 177.300 -0.044 0.000 1.180 484 P CA 1.584 64.654 63.100 -0.050 0.000 0.906 484 P CB -0.030 31.635 31.700 -0.059 0.000 0.782 485 K N -0.514 119.852 120.400 -0.057 0.000 2.057 485 K HA -0.086 4.231 4.320 -0.005 0.000 0.207 485 K C 1.983 178.565 176.600 -0.031 0.000 1.049 485 K CA 1.199 57.459 56.287 -0.045 0.000 0.931 485 K CB -1.235 31.232 32.500 -0.055 0.000 0.714 485 K HN -0.080 nan 8.250 nan 0.000 0.440 486 V N 1.848 121.742 119.914 -0.033 0.000 2.370 486 V HA -0.268 3.848 4.120 -0.005 0.000 0.252 486 V C 2.054 178.142 176.094 -0.010 0.000 1.068 486 V CA 1.773 64.064 62.300 -0.015 0.000 1.061 486 V CB -0.517 31.294 31.823 -0.020 0.000 0.656 486 V HN 0.301 nan 8.190 nan 0.000 0.455 487 L N -0.889 120.324 121.223 -0.017 0.000 2.307 487 L HA 0.248 4.585 4.340 -0.005 0.000 0.211 487 L C 1.666 178.530 176.870 -0.011 0.000 1.099 487 L CA 0.332 55.165 54.840 -0.012 0.000 0.816 487 L CB -0.516 41.538 42.059 -0.009 0.000 0.952 487 L HN 0.322 nan 8.230 nan 0.000 0.455 491 G N 1.977 110.778 108.800 0.002 0.000 2.508 491 G HA2 0.133 4.090 3.960 -0.005 0.000 0.212 491 G HA3 0.133 4.090 3.960 -0.005 0.000 0.212 491 G C 0.215 175.121 174.900 0.010 0.000 1.206 491 G CA 0.596 45.698 45.100 0.003 0.000 0.822 491 G HN 0.501 nan 8.290 nan 0.000 0.550 492 D N 1.619 122.019 120.400 0.000 0.000 3.883 492 D HA -0.091 4.546 4.640 -0.005 0.000 0.188 492 D C -0.448 175.874 176.300 0.037 0.000 1.056 492 D CA -0.471 53.525 54.000 -0.007 0.000 0.706 492 D CB 1.289 42.068 40.800 -0.033 0.000 1.163 492 D HN 0.118 nan 8.370 nan 0.000 0.585 493 P HA -0.198 nan 4.420 nan 0.000 0.215 493 P C 0.548 177.927 177.300 0.130 0.000 1.157 493 P CA 0.455 63.596 63.100 0.068 0.000 0.868 493 P CB 0.036 31.766 31.700 0.050 0.000 0.788 494 N N 0.841 119.641 118.700 0.167 0.000 2.418 494 N HA -0.124 4.612 4.740 -0.005 0.000 0.277 494 N C 1.166 176.853 175.510 0.296 0.000 1.317 494 N CA -0.010 53.208 53.050 0.280 0.000 0.922 494 N CB -0.019 38.700 38.487 0.386 0.000 1.194 494 N HN 0.131 nan 8.380 nan 0.000 0.485 495 Y N 3.754 124.108 120.300 0.089 0.000 2.446 495 Y HA -0.167 4.380 4.550 -0.005 0.000 0.287 495 Y C 1.370 177.306 175.900 0.060 0.000 1.159 495 Y CA 0.967 59.102 58.100 0.057 0.000 1.297 495 Y CB -0.446 38.037 38.460 0.038 0.000 0.974 495 Y HN 0.502 nan 8.280 nan 0.000 0.557 496 L N -0.310 120.644 121.223 -0.447 0.000 1.993 496 L HA -0.150 4.187 4.340 -0.005 0.000 0.206 496 L C 2.580 179.329 176.870 -0.202 0.000 1.074 496 L CA 1.782 56.303 54.840 -0.532 0.000 0.746 496 L CB -0.781 40.980 42.059 -0.496 0.000 0.896 496 L HN 0.219 nan 8.230 nan 0.000 0.435 497 H N -0.829 118.208 119.070 -0.055 0.000 2.352 497 H HA -0.133 4.419 4.556 -0.005 0.000 0.299 497 H C 1.463 176.790 175.328 -0.002 0.000 1.097 497 H CA 0.861 56.903 56.048 -0.009 0.000 1.311 497 H CB -0.256 29.502 29.762 -0.008 0.000 1.377 497 H HN 0.183 nan 8.280 nan 0.000 0.504 501 T N 3.122 117.697 114.554 0.035 0.000 2.622 501 T HA -0.010 4.337 4.350 -0.005 0.000 0.266 501 T C 1.909 176.575 174.700 -0.057 0.000 1.047 501 T CA 1.507 63.605 62.100 -0.003 0.000 1.159 501 T CB -0.537 68.316 68.868 -0.024 0.000 0.863 501 T HN 0.204 nan 8.240 nan 0.000 0.422 502 L N -0.343 120.771 121.223 -0.182 0.000 2.137 502 L HA -0.160 4.177 4.340 -0.005 0.000 0.213 502 L C 2.219 178.952 176.870 -0.227 0.000 1.085 502 L CA 1.451 56.134 54.840 -0.262 0.000 0.760 502 L CB -0.546 41.255 42.059 -0.431 0.000 0.893 502 L HN 0.292 nan 8.230 nan 0.000 0.434 503 F N -1.415 118.504 119.950 -0.052 0.000 2.022 503 F HA -0.257 4.267 4.527 -0.005 0.000 0.293 503 F C 2.764 178.544 175.800 -0.033 0.000 1.142 503 F CA 1.213 59.185 58.000 -0.046 0.000 1.177 503 F CB -0.953 38.015 39.000 -0.052 0.000 0.982 503 F HN 0.063 nan 8.300 nan 0.000 0.473 504 C N 1.102 120.515 119.300 0.189 0.000 2.353 504 C HA -0.275 4.181 4.460 -0.005 0.000 0.272 504 C C 2.735 177.761 174.990 0.060 0.000 1.165 504 C CA 1.184 60.260 59.018 0.096 0.000 1.786 504 C CB -1.380 26.400 27.740 0.068 0.000 2.071 504 C HN 0.423 nan 8.230 nan 0.000 0.451 505 I N 1.227 121.817 120.570 0.033 0.000 2.113 505 I HA -0.292 3.874 4.170 -0.005 0.000 0.242 505 I C 1.957 178.085 176.117 0.018 0.000 1.064 505 I CA 2.243 63.548 61.300 0.009 0.000 1.320 505 I CB -0.807 37.182 38.000 -0.019 0.000 1.028 505 I HN 0.495 nan 8.210 nan 0.000 0.406 506 N N -0.271 118.446 118.700 0.028 0.000 2.503 506 N HA -0.130 4.607 4.740 -0.005 0.000 0.189 506 N C 1.363 176.899 175.510 0.043 0.000 1.048 506 N CA 0.651 53.722 53.050 0.035 0.000 0.905 506 N CB 0.138 38.662 38.487 0.062 0.000 0.951 506 N HN 0.216 nan 8.380 nan 0.000 0.446 507 V N -0.425 119.517 119.914 0.047 0.000 2.854 507 V HA 0.028 4.145 4.120 -0.005 0.000 0.236 507 V C 1.809 177.925 176.094 0.037 0.000 1.157 507 V CA 0.222 62.547 62.300 0.042 0.000 1.187 507 V CB -0.122 31.728 31.823 0.046 0.000 0.949 507 V HN 0.165 nan 8.190 nan 0.000 0.488 508 L N 1.589 122.835 121.223 0.038 0.000 2.089 508 L HA -0.199 4.138 4.340 -0.005 0.000 0.213 508 L C 2.795 179.683 176.870 0.030 0.000 1.079 508 L CA 2.700 57.562 54.840 0.037 0.000 0.758 508 L CB -1.617 40.458 42.059 0.026 0.000 0.891 508 L HN 0.653 nan 8.230 nan 0.000 0.433 509 S N -0.578 115.135 115.700 0.022 0.000 2.383 509 S HA -0.233 4.234 4.470 -0.005 0.000 0.229 509 S C 1.703 176.316 174.600 0.022 0.000 1.030 509 S CA 1.338 59.549 58.200 0.018 0.000 1.002 509 S CB -0.417 62.790 63.200 0.012 0.000 0.829 509 S HN 0.523 nan 8.310 nan 0.000 0.467 510 E N 0.733 120.947 120.200 0.024 0.000 2.171 510 E HA -0.094 4.252 4.350 -0.005 0.000 0.197 510 E C 1.465 178.080 176.600 0.025 0.000 0.997 510 E CA 1.507 57.921 56.400 0.023 0.000 0.810 510 E CB -0.213 29.500 29.700 0.022 0.000 0.738 510 E HN 0.735 nan 8.360 nan 0.000 0.467 511 V N -3.271 116.661 119.914 0.031 0.000 2.991 511 V HA 0.283 4.400 4.120 -0.005 0.000 0.355 511 V C 0.321 176.445 176.094 0.048 0.000 1.384 511 V CA -0.539 61.783 62.300 0.037 0.000 1.171 511 V CB 0.099 31.945 31.823 0.039 0.000 1.190 511 V HN 0.160 nan 8.190 nan 0.000 0.540 512 C N 1.574 120.900 119.300 0.042 0.000 3.255 512 C HA 0.729 5.185 4.460 -0.005 0.000 0.282 512 C C 1.495 176.510 174.990 0.042 0.000 1.441 512 C CA -0.162 58.884 59.018 0.047 0.000 1.785 512 C CB -0.951 26.810 27.740 0.035 0.000 2.583 512 C HN 1.208 nan 8.230 nan 0.000 0.615 513 G N 1.178 109.999 108.800 0.036 0.000 2.967 513 G HA2 -0.279 3.678 3.960 -0.005 0.000 0.684 513 G HA3 -0.279 3.678 3.960 -0.005 0.000 0.684 513 G C 0.599 175.516 174.900 0.028 0.000 1.596 513 G CA 0.442 45.561 45.100 0.033 0.000 1.102 513 G HN 0.499 nan 8.290 nan 0.000 0.596 514 Q N -0.204 119.610 119.800 0.023 0.000 2.224 514 Q HA -0.261 4.076 4.340 -0.005 0.000 0.213 514 Q C 1.871 177.882 176.000 0.020 0.000 0.998 514 Q CA 2.563 58.377 55.803 0.018 0.000 0.895 514 Q CB -0.114 28.634 28.738 0.016 0.000 0.926 514 Q HN 0.762 nan 8.270 nan 0.000 0.417 515 D N -0.359 120.060 120.400 0.031 0.000 2.049 515 D HA -0.149 4.487 4.640 -0.005 0.000 0.233 515 D C 2.020 178.347 176.300 0.044 0.000 0.994 515 D CA 1.549 55.573 54.000 0.040 0.000 0.925 515 D CB -0.411 40.425 40.800 0.061 0.000 1.146 515 D HN 0.298 nan 8.370 nan 0.000 0.472 516 I N 1.035 121.646 120.570 0.068 0.000 2.188 516 I HA -0.390 3.777 4.170 -0.005 0.000 0.246 516 I C 2.440 178.576 176.117 0.032 0.000 1.033 516 I CA 1.639 62.977 61.300 0.063 0.000 1.307 516 I CB -1.105 36.896 38.000 0.001 0.000 1.005 516 I HN 0.081 nan 8.210 nan 0.000 0.421 517 T N -0.030 114.533 114.554 0.015 0.000 2.665 517 T HA -0.195 4.151 4.350 -0.005 0.000 0.268 517 T C 1.827 176.520 174.700 -0.011 0.000 1.035 517 T CA 2.298 64.400 62.100 0.002 0.000 1.151 517 T CB -0.476 68.395 68.868 0.005 0.000 0.862 517 T HN 0.454 nan 8.240 nan 0.000 0.438 518 T N 0.804 115.349 114.554 -0.015 0.000 3.067 518 T HA 0.119 4.466 4.350 -0.005 0.000 0.261 518 T C 1.793 176.448 174.700 -0.075 0.000 1.110 518 T CA 0.646 62.725 62.100 -0.034 0.000 1.113 518 T CB 0.100 68.954 68.868 -0.023 0.000 0.917 518 T HN 0.311 nan 8.240 nan 0.000 0.499 519 K N -0.518 119.816 120.400 -0.110 0.000 2.354 519 K HA 0.145 4.462 4.320 -0.005 0.000 0.194 519 K C 0.317 176.590 176.600 -0.545 0.000 1.045 519 K CA 0.261 56.380 56.287 -0.280 0.000 1.026 519 K CB 0.505 32.843 32.500 -0.271 0.000 0.866 519 K HN 0.365 nan 8.250 nan 0.000 0.530 523 P HA 0.061 nan 4.420 nan 0.000 0.215 523 P C 1.164 178.444 177.300 -0.033 0.000 1.160 523 P CA 2.296 65.372 63.100 -0.041 0.000 0.869 523 P CB 0.023 31.693 31.700 -0.050 0.000 0.782 524 T N -1.296 113.239 114.554 -0.031 0.000 3.098 524 T HA -0.035 4.312 4.350 -0.005 0.000 0.266 524 T C 1.626 176.301 174.700 -0.041 0.000 1.145 524 T CA 0.634 62.716 62.100 -0.031 0.000 1.092 524 T CB -0.812 68.041 68.868 -0.026 0.000 0.908 524 T HN -0.105 nan 8.240 nan 0.000 0.526 525 V N 0.506 120.394 119.914 -0.043 0.000 3.052 525 V HA 0.157 4.273 4.120 -0.005 0.000 0.254 525 V C 2.060 178.127 176.094 -0.045 0.000 1.100 525 V CA 0.829 63.097 62.300 -0.053 0.000 1.112 525 V CB -0.275 31.518 31.823 -0.050 0.000 0.738 525 V HN 0.483 nan 8.190 nan 0.000 0.469 526 L N -0.946 120.256 121.223 -0.034 0.000 2.189 526 L HA 0.175 4.512 4.340 -0.005 0.000 0.199 526 L C 1.760 178.616 176.870 -0.023 0.000 1.074 526 L CA 0.371 55.195 54.840 -0.026 0.000 0.783 526 L CB -0.338 41.708 42.059 -0.022 0.000 0.955 526 L HN 0.171 nan 8.230 nan 0.000 0.460 530 G N 0.358 109.158 108.800 -0.000 0.000 4.465 530 G HA2 0.490 4.447 3.960 -0.005 0.000 0.330 530 G HA3 0.490 4.447 3.960 -0.005 0.000 0.330 530 G C -1.265 173.638 174.900 0.006 0.000 1.475 530 G CA 0.223 45.327 45.100 0.006 0.000 0.955 530 G HN 0.153 nan 8.290 nan 0.000 0.516 531 D N 1.627 122.033 120.400 0.009 0.000 2.575 531 D HA 0.385 5.022 4.640 -0.005 0.000 0.236 531 D C -1.396 174.917 176.300 0.021 0.000 1.075 531 D CA -1.616 52.391 54.000 0.012 0.000 0.860 531 D CB 3.695 44.498 40.800 0.006 0.000 1.475 531 D HN 0.068 nan 8.370 nan 0.000 0.474 532 P HA -0.114 nan 4.420 nan 0.000 0.210 532 P C 0.615 177.928 177.300 0.023 0.000 1.185 532 P CA 0.455 63.566 63.100 0.018 0.000 0.924 532 P CB -0.044 31.663 31.700 0.011 0.000 0.786 533 V N 1.922 121.847 119.914 0.018 0.000 2.546 533 V HA -0.055 4.062 4.120 -0.005 0.000 0.279 533 V C 2.149 178.285 176.094 0.071 0.000 0.968 533 V CA 0.727 63.037 62.300 0.017 0.000 1.157 533 V CB -0.740 31.094 31.823 0.019 0.000 0.938 533 V HN 0.246 nan 8.190 nan 0.000 0.464 534 A N 4.716 127.599 122.820 0.105 0.000 2.084 534 A HA -0.211 4.105 4.320 -0.005 0.000 0.221 534 A C 2.042 179.822 177.584 0.327 0.000 1.161 534 A CA 1.925 54.081 52.037 0.198 0.000 0.653 534 A CB -0.476 18.648 19.000 0.207 0.000 0.802 534 A HN 0.792 nan 8.150 nan 0.000 0.457 535 N N 0.193 119.060 118.700 0.279 0.000 2.043 535 N HA -0.133 4.603 4.740 -0.005 0.000 0.193 535 N C 1.604 176.887 175.510 -0.378 0.000 1.037 535 N CA 1.708 54.838 53.050 0.132 0.000 0.851 535 N CB -0.731 37.949 38.487 0.322 0.000 1.027 535 N HN 0.260 nan 8.380 nan 0.000 0.422 536 V N 1.560 121.412 119.914 -0.104 0.000 2.568 536 V HA -0.186 3.930 4.120 -0.005 0.000 0.253 536 V C 2.261 178.240 176.094 -0.192 0.000 1.072 536 V CA 1.438 63.642 62.300 -0.160 0.000 1.084 536 V CB -0.373 31.430 31.823 -0.034 0.000 0.676 536 V HN 0.299 nan 8.190 nan 0.000 0.469 537 R N 0.158 120.602 120.500 -0.095 0.000 2.052 537 R HA -0.030 4.307 4.340 -0.005 0.000 0.224 537 R C 2.372 178.671 176.300 -0.002 0.000 1.149 537 R CA 1.629 57.718 56.100 -0.018 0.000 0.962 537 R CB -0.659 29.689 30.300 0.080 0.000 0.856 537 R HN 0.677 nan 8.270 nan 0.000 0.433 538 F N 1.287 121.268 119.950 0.052 0.000 2.494 538 F HA -0.009 4.514 4.527 -0.006 0.000 0.298 538 F C 1.493 177.242 175.800 -0.086 0.000 1.106 538 F CA 0.597 58.648 58.000 0.084 0.000 1.452 538 F CB -0.437 38.726 39.000 0.272 0.000 1.085 538 F HN -0.098 nan 8.300 nan 0.000 0.569 539 N N 0.982 119.336 118.700 -0.576 0.000 2.290 539 N HA -0.063 4.674 4.740 -0.005 0.000 0.179 539 N C 2.023 177.361 175.510 -0.287 0.000 1.016 539 N CA 1.164 53.898 53.050 -0.526 0.000 0.871 539 N CB -0.224 37.865 38.487 -0.662 0.000 0.987 539 N HN 0.300 nan 8.380 nan 0.000 0.431 540 V N 1.827 121.610 119.914 -0.217 0.000 2.688 540 V HA -0.206 3.911 4.120 -0.005 0.000 0.256 540 V C 2.259 178.312 176.094 -0.069 0.000 1.084 540 V CA 1.705 63.926 62.300 -0.130 0.000 1.103 540 V CB -0.652 31.119 31.823 -0.088 0.000 0.688 540 V HN 0.272 nan 8.190 nan 0.000 0.480 541 A N -0.270 122.531 122.820 -0.031 0.000 1.855 541 A HA -0.155 4.162 4.320 -0.005 0.000 0.213 541 A C 2.248 179.831 177.584 -0.001 0.000 1.195 541 A CA 1.494 53.550 52.037 0.032 0.000 0.610 541 A CB -0.371 18.718 19.000 0.149 0.000 0.837 541 A HN 0.497 nan 8.150 nan 0.000 0.444 542 K N 0.325 120.687 120.400 -0.063 0.000 2.147 542 K HA -0.079 4.238 4.320 -0.005 0.000 0.205 542 K C 2.285 178.849 176.600 -0.060 0.000 1.049 542 K CA 1.469 57.705 56.287 -0.085 0.000 0.936 542 K CB -0.160 32.221 32.500 -0.197 0.000 0.722 542 K HN 0.424 nan 8.250 nan 0.000 0.446 543 S N 1.444 117.092 115.700 -0.086 0.000 2.355 543 S HA -0.053 4.413 4.470 -0.005 0.000 0.222 543 S C 1.871 176.448 174.600 -0.038 0.000 1.031 543 S CA 1.006 59.164 58.200 -0.071 0.000 0.993 543 S CB -0.187 62.947 63.200 -0.111 0.000 0.859 543 S HN 0.184 nan 8.310 nan 0.000 0.453 544 L N 1.416 122.620 121.223 -0.032 0.000 2.362 544 L HA -0.042 4.295 4.340 -0.005 0.000 0.219 544 L C 2.617 179.483 176.870 -0.006 0.000 1.134 544 L CA 0.861 55.691 54.840 -0.018 0.000 0.807 544 L CB -0.389 41.662 42.059 -0.014 0.000 0.927 544 L HN 0.366 nan 8.230 nan 0.000 0.447 545 Q N 0.304 120.103 119.800 -0.002 0.000 2.378 545 Q HA -0.190 4.146 4.340 -0.005 0.000 0.205 545 Q C 1.966 177.971 176.000 0.009 0.000 0.954 545 Q CA 0.920 56.728 55.803 0.008 0.000 0.901 545 Q CB 0.357 29.107 28.738 0.019 0.000 0.981 545 Q HN 0.251 nan 8.270 nan 0.000 0.483 546 K N 1.028 121.431 120.400 0.004 0.000 2.108 546 K HA -0.008 4.309 4.320 -0.005 0.000 0.204 546 K C 1.560 178.164 176.600 0.007 0.000 1.036 546 K CA 1.010 57.303 56.287 0.009 0.000 0.965 546 K CB -0.233 32.273 32.500 0.010 0.000 0.804 546 K HN 0.299 nan 8.250 nan 0.000 0.454 547 I N -1.087 119.484 120.570 0.000 0.000 3.699 547 I HA 0.298 4.465 4.170 -0.005 0.000 0.306 547 I C 0.989 177.106 176.117 -0.001 0.000 1.320 547 I CA 0.042 61.342 61.300 0.000 0.000 1.220 547 I CB -0.335 37.662 38.000 -0.006 0.000 1.075 547 I HN 0.162 nan 8.210 nan 0.000 0.437 548 G N 2.504 111.305 108.800 0.002 0.000 2.518 548 G HA2 0.043 3.999 3.960 -0.005 0.000 0.213 548 G HA3 0.043 3.999 3.960 -0.005 0.000 0.213 548 G C -0.545 174.357 174.900 0.004 0.000 1.226 548 G CA 0.453 45.554 45.100 0.002 0.000 0.822 548 G HN 0.350 nan 8.290 nan 0.000 0.546 549 P HA -0.094 nan 4.420 nan 0.000 0.217 549 P C 1.794 179.098 177.300 0.007 0.000 1.148 549 P CA 0.837 63.941 63.100 0.007 0.000 0.834 549 P CB -0.060 31.646 31.700 0.009 0.000 0.783 550 I N -1.892 118.683 120.570 0.007 0.000 2.423 550 I HA -0.166 4.001 4.170 -0.005 0.000 0.254 550 I C 1.194 177.315 176.117 0.006 0.000 1.151 550 I CA 0.593 61.898 61.300 0.008 0.000 1.421 550 I CB -0.428 37.578 38.000 0.009 0.000 1.079 550 I HN -0.056 nan 8.210 nan 0.000 0.431 551 L N 1.144 122.369 121.223 0.003 0.000 2.418 551 L HA 0.100 4.436 4.340 -0.005 0.000 0.265 551 L C -0.057 176.814 176.870 0.002 0.000 1.143 551 L CA -0.710 54.130 54.840 0.001 0.000 0.809 551 L CB 0.444 42.501 42.059 -0.003 0.000 1.124 551 L HN 0.144 nan 8.230 nan 0.000 0.456 552 D N -0.009 120.392 120.400 0.001 0.000 2.350 552 D HA -0.002 4.635 4.640 -0.005 0.000 0.249 552 D C 0.685 176.986 176.300 0.001 0.000 1.119 552 D CA -0.516 53.485 54.000 0.002 0.000 0.886 552 D CB 0.547 41.348 40.800 0.003 0.000 1.195 552 D HN 0.428 nan 8.370 nan 0.000 0.437 553 N N 1.599 120.300 118.700 0.002 0.000 2.242 553 N HA -0.326 4.410 4.740 -0.005 0.000 0.193 553 N C 1.447 176.957 175.510 0.000 0.000 1.000 553 N CA 1.777 54.828 53.050 0.001 0.000 0.885 553 N CB -0.078 38.410 38.487 0.002 0.000 0.988 553 N HN 0.435 nan 8.380 nan 0.000 0.444 554 S N -2.030 113.670 115.700 -0.000 0.000 2.371 554 S HA -0.026 4.441 4.470 -0.005 0.000 0.224 554 S C 1.618 176.216 174.600 -0.003 0.000 1.029 554 S CA 1.575 59.774 58.200 -0.001 0.000 0.978 554 S CB -0.469 62.730 63.200 -0.001 0.000 0.833 554 S HN 0.486 nan 8.310 nan 0.000 0.466 555 T N 2.226 116.778 114.554 -0.004 0.000 3.055 555 T HA 0.187 4.534 4.350 -0.005 0.000 0.265 555 T C 1.637 176.333 174.700 -0.007 0.000 1.111 555 T CA 0.369 62.465 62.100 -0.007 0.000 1.118 555 T CB -0.127 68.735 68.868 -0.010 0.000 0.909 555 T HN 0.266 nan 8.240 nan 0.000 0.501 556 L N 0.809 122.029 121.223 -0.004 0.000 2.044 556 L HA -0.030 4.307 4.340 -0.005 0.000 0.205 556 L C 2.161 179.029 176.870 -0.003 0.000 1.075 556 L CA 1.397 56.235 54.840 -0.003 0.000 0.747 556 L CB -0.163 41.895 42.059 -0.001 0.000 0.903 556 L HN 0.259 nan 8.230 nan 0.000 0.435 557 Q N -1.689 118.110 119.800 -0.002 0.000 2.320 557 Q HA -0.017 4.319 4.340 -0.005 0.000 0.201 557 Q C 1.557 177.555 176.000 -0.003 0.000 0.910 557 Q CA 0.287 56.089 55.803 -0.002 0.000 0.946 557 Q CB 0.741 29.479 28.738 -0.001 0.000 1.062 557 Q HN 0.377 nan 8.270 nan 0.000 0.503 558 S N 1.211 116.909 115.700 -0.004 0.000 2.432 558 S HA -0.012 4.455 4.470 -0.005 0.000 0.203 558 S C 1.464 176.061 174.600 -0.006 0.000 0.987 558 S CA 0.385 58.582 58.200 -0.005 0.000 0.908 558 S CB 0.254 63.450 63.200 -0.007 0.000 0.883 558 S HN 0.274 nan 8.310 nan 0.000 0.577 559 E N 0.160 120.355 120.200 -0.008 0.000 2.340 559 E HA 0.107 4.454 4.350 -0.005 0.000 0.194 559 E C 1.791 178.386 176.600 -0.008 0.000 0.996 559 E CA 0.291 56.685 56.400 -0.010 0.000 0.869 559 E CB 0.231 29.923 29.700 -0.014 0.000 0.835 559 E HN 0.267 nan 8.360 nan 0.000 0.493 560 V N 1.736 121.646 119.914 -0.007 0.000 2.283 560 V HA -0.246 3.870 4.120 -0.005 0.000 0.222 560 V C 2.255 178.348 176.094 -0.002 0.000 1.035 560 V CA 1.715 64.012 62.300 -0.006 0.000 1.028 560 V CB -0.562 31.259 31.823 -0.005 0.000 0.659 560 V HN 0.145 nan 8.190 nan 0.000 0.468 561 K N 0.667 121.066 120.400 -0.001 0.000 2.081 561 K HA -0.300 4.017 4.320 -0.005 0.000 0.222 561 K C -0.089 176.511 176.600 0.001 0.000 1.055 561 K CA 2.950 59.237 56.287 0.000 0.000 0.954 561 K CB -1.523 30.977 32.500 -0.000 0.000 0.732 561 K HN 0.386 nan 8.250 nan 0.000 0.458 562 P HA -0.169 nan 4.420 nan 0.000 0.216 562 P C 1.406 178.707 177.300 0.002 0.000 1.150 562 P CA 1.428 64.529 63.100 0.001 0.000 0.843 562 P CB -0.008 31.691 31.700 -0.001 0.000 0.787 563 I N -1.826 118.745 120.570 0.001 0.000 3.427 563 I HA 0.035 4.202 4.170 -0.005 0.000 0.288 563 I C 1.210 177.331 176.117 0.007 0.000 1.249 563 I CA 0.374 61.676 61.300 0.003 0.000 1.421 563 I CB 0.162 38.161 38.000 -0.001 0.000 1.086 563 I HN -0.156 nan 8.210 nan 0.000 0.448 564 L N 1.014 122.241 121.223 0.007 0.000 2.805 564 L HA 0.194 4.531 4.340 -0.005 0.000 0.237 564 L C 0.975 177.853 176.870 0.013 0.000 1.252 564 L CA 0.134 54.981 54.840 0.012 0.000 1.064 564 L CB -0.288 41.776 42.059 0.008 0.000 1.361 564 L HN 0.171 nan 8.230 nan 0.000 0.474 565 E N -0.714 119.494 120.200 0.012 0.000 2.441 565 E HA -0.034 4.313 4.350 -0.005 0.000 0.207 565 E C 1.160 177.769 176.600 0.015 0.000 0.803 565 E CA 0.028 56.435 56.400 0.011 0.000 1.240 565 E CB 0.316 30.020 29.700 0.007 0.000 1.233 565 E HN 0.270 nan 8.360 nan 0.000 0.590 566 K N 1.302 121.711 120.400 0.015 0.000 2.574 566 K HA 0.060 4.377 4.320 -0.005 0.000 0.193 566 K C 1.539 178.154 176.600 0.025 0.000 1.035 566 K CA 0.370 56.667 56.287 0.017 0.000 0.982 566 K CB 0.168 32.676 32.500 0.014 0.000 0.795 566 K HN 0.039 nan 8.250 nan 0.000 0.491 567 L N -0.848 120.394 121.223 0.031 0.000 2.467 567 L HA 0.008 4.345 4.340 -0.005 0.000 0.213 567 L C 2.126 179.025 176.870 0.049 0.000 1.053 567 L CA 0.647 55.515 54.840 0.048 0.000 0.847 567 L CB -0.259 41.835 42.059 0.058 0.000 1.075 567 L HN 0.201 nan 8.230 nan 0.000 0.479 568 T N -2.699 111.876 114.554 0.035 0.000 3.052 568 T HA -0.134 4.213 4.350 -0.005 0.000 0.270 568 T C 1.050 175.765 174.700 0.025 0.000 1.147 568 T CA 0.815 62.931 62.100 0.027 0.000 1.089 568 T CB -0.129 68.747 68.868 0.013 0.000 0.875 568 T HN 0.130 nan 8.240 nan 0.000 0.541 569 Q N 1.563 121.378 119.800 0.026 0.000 2.773 569 Q HA 0.407 4.744 4.340 -0.005 0.000 0.373 569 Q C -1.239 174.777 176.000 0.027 0.000 0.940 569 Q CA -0.247 55.569 55.803 0.022 0.000 1.015 569 Q CB 0.841 29.589 28.738 0.016 0.000 1.349 569 Q HN 0.507 nan 8.270 nan 0.000 0.413 570 D N 0.109 120.530 120.400 0.035 0.000 2.433 570 D HA 0.101 4.737 4.640 -0.005 0.000 0.236 570 D C 0.878 177.200 176.300 0.036 0.000 1.026 570 D CA -0.404 53.620 54.000 0.041 0.000 0.884 570 D CB 1.624 42.461 40.800 0.061 0.000 1.384 570 D HN 0.022 nan 8.370 nan 0.000 0.477 571 Q N 2.013 121.834 119.800 0.033 0.000 1.956 571 Q HA -0.189 4.147 4.340 -0.005 0.000 0.208 571 Q C -0.163 175.853 176.000 0.027 0.000 0.998 571 Q CA 1.213 57.032 55.803 0.026 0.000 0.855 571 Q CB -0.400 28.353 28.738 0.025 0.000 0.928 571 Q HN 0.635 nan 8.270 nan 0.000 0.418 572 D N 0.789 121.213 120.400 0.041 0.000 2.426 572 D HA -0.047 4.590 4.640 -0.005 0.000 0.261 572 D C 1.355 177.671 176.300 0.027 0.000 1.245 572 D CA 0.047 54.070 54.000 0.039 0.000 0.917 572 D CB 1.024 41.868 40.800 0.074 0.000 1.123 572 D HN 0.127 nan 8.370 nan 0.000 0.508 573 V N 4.478 124.388 119.914 -0.007 0.000 2.370 573 V HA -0.297 3.820 4.120 -0.005 0.000 0.252 573 V C 1.954 178.016 176.094 -0.053 0.000 1.068 573 V CA 1.820 64.102 62.300 -0.031 0.000 1.061 573 V CB -0.361 31.425 31.823 -0.061 0.000 0.656 573 V HN 0.589 nan 8.190 nan 0.000 0.455 574 D N 0.065 120.411 120.400 -0.091 0.000 2.084 574 D HA -0.128 4.508 4.640 -0.005 0.000 0.194 574 D C 2.286 178.616 176.300 0.051 0.000 0.990 574 D CA 1.486 55.378 54.000 -0.181 0.000 0.826 574 D CB -0.432 40.103 40.800 -0.441 0.000 0.971 574 D HN 0.344 nan 8.370 nan 0.000 0.453 575 V N 1.508 121.528 119.914 0.176 0.000 2.278 575 V HA -0.299 3.818 4.120 -0.005 0.000 0.251 575 V C 2.441 178.662 176.094 0.212 0.000 1.062 575 V CA 1.801 64.291 62.300 0.316 0.000 1.038 575 V CB -0.429 31.536 31.823 0.237 0.000 0.646 575 V HN 0.195 nan 8.190 nan 0.000 0.447 576 K N -0.888 119.579 120.400 0.111 0.000 1.970 576 K HA -0.293 4.024 4.320 -0.005 0.000 0.225 576 K C 2.194 178.824 176.600 0.051 0.000 1.045 576 K CA 2.377 58.705 56.287 0.069 0.000 1.002 576 K CB -0.658 31.867 32.500 0.041 0.000 0.743 576 K HN 0.388 nan 8.250 nan 0.000 0.445 577 Y N 0.480 120.700 120.300 -0.134 0.000 2.170 577 Y HA -0.333 4.214 4.550 -0.006 0.000 0.274 577 Y C 1.840 177.621 175.900 -0.197 0.000 1.253 577 Y CA 2.324 60.280 58.100 -0.241 0.000 1.133 577 Y CB -0.538 37.642 38.460 -0.467 0.000 0.941 577 Y HN 0.221 nan 8.280 nan 0.000 0.518 578 F N -0.862 119.059 119.950 -0.048 0.000 2.293 578 F HA 0.015 4.538 4.527 -0.006 0.000 0.297 578 F C 2.520 178.268 175.800 -0.088 0.000 1.089 578 F CA 0.872 58.819 58.000 -0.089 0.000 1.377 578 F CB -1.257 37.830 39.000 0.146 0.000 1.051 578 F HN 0.155 nan 8.300 nan 0.000 0.511 579 A N -0.266 122.632 122.820 0.130 0.000 1.855 579 A HA -0.247 4.069 4.320 -0.005 0.000 0.215 579 A C 2.129 179.707 177.584 -0.010 0.000 1.191 579 A CA 1.773 53.850 52.037 0.067 0.000 0.613 579 A CB -0.974 18.066 19.000 0.065 0.000 0.829 579 A HN 0.329 nan 8.150 nan 0.000 0.442 580 Q N 0.098 119.862 119.800 -0.060 0.000 2.014 580 Q HA -0.238 4.099 4.340 -0.005 0.000 0.207 580 Q C 1.651 177.572 176.000 -0.132 0.000 0.993 580 Q CA 2.346 58.094 55.803 -0.092 0.000 0.850 580 Q CB -0.404 28.266 28.738 -0.113 0.000 0.916 580 Q HN 0.584 nan 8.270 nan 0.000 0.417 581 E N -1.144 118.897 120.200 -0.266 0.000 2.482 581 E HA 0.048 4.395 4.350 -0.005 0.000 0.200 581 E C 0.065 176.617 176.600 -0.081 0.000 1.147 581 E CA 0.687 56.940 56.400 -0.245 0.000 0.912 581 E CB -0.363 29.025 29.700 -0.520 0.000 0.938 581 E HN 0.437 nan 8.360 nan 0.000 0.519 582 A N -0.823 121.973 122.820 -0.039 0.000 2.508 582 A HA 0.298 4.615 4.320 -0.005 0.000 0.250 582 A C 1.294 178.875 177.584 -0.005 0.000 1.208 582 A CA -0.240 51.798 52.037 0.003 0.000 0.960 582 A CB 0.311 19.328 19.000 0.030 0.000 1.099 582 A HN 0.317 nan 8.150 nan 0.000 0.542 583 L N -1.879 119.333 121.223 -0.018 0.000 2.519 583 L HA 0.054 4.391 4.340 -0.005 0.000 0.194 583 L C 2.330 179.192 176.870 -0.013 0.000 1.072 583 L CA 1.073 55.906 54.840 -0.012 0.000 0.845 583 L CB -0.634 41.416 42.059 -0.013 0.000 1.138 583 L HN 0.187 nan 8.230 nan 0.000 0.487 584 T N 0.285 114.825 114.554 -0.024 0.000 2.760 584 T HA -0.166 4.180 4.350 -0.005 0.000 0.269 584 T C 1.777 176.472 174.700 -0.008 0.000 1.047 584 T CA 1.443 63.533 62.100 -0.018 0.000 1.139 584 T CB -0.105 68.746 68.868 -0.028 0.000 0.855 584 T HN 0.054 nan 8.240 nan 0.000 0.471 585 V N 0.409 120.319 119.914 -0.006 0.000 2.825 585 V HA 0.152 4.269 4.120 -0.005 0.000 0.246 585 V C 2.250 178.347 176.094 0.005 0.000 1.068 585 V CA 0.712 63.015 62.300 0.004 0.000 1.088 585 V CB -0.341 31.488 31.823 0.010 0.000 0.733 585 V HN 0.420 nan 8.190 nan 0.000 0.468 586 L N -0.048 121.177 121.223 0.003 0.000 2.291 586 L HA 0.040 4.376 4.340 -0.005 0.000 0.214 586 L C 1.025 177.896 176.870 0.002 0.000 1.120 586 L CA 0.645 55.486 54.840 0.003 0.000 0.799 586 L CB -0.242 41.819 42.059 0.002 0.000 0.925 586 L HN 0.453 nan 8.230 nan 0.000 0.446 587 S N 0.124 115.825 115.700 0.001 0.000 4.044 587 S HA -0.097 4.369 4.470 -0.005 0.000 0.371 587 S C 0.365 174.965 174.600 -0.000 0.000 0.977 587 S CA 0.044 58.244 58.200 0.001 0.000 1.092 587 S CB -1.570 61.632 63.200 0.002 0.000 0.845 587 S HN 0.311 nan 8.310 nan 0.000 0.496 588 L N -0.147 121.075 121.223 -0.001 0.000 3.141 588 L HA 0.676 5.013 4.340 -0.005 0.000 0.267 588 L C 0.659 177.528 176.870 -0.002 0.000 1.281 588 L CA 0.448 55.287 54.840 -0.001 0.000 1.037 588 L CB -0.126 41.932 42.059 -0.001 0.000 1.407 588 L HN 0.699 nan 8.230 nan 0.000 0.566 589 A N 0.000 122.819 122.820 -0.002 0.000 2.254 589 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 589 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 589 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486