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 3dw8_1_A DATA FIRST_RESID 8 DATA SEQUENCE MSLYPIAVLI DELRNEDVQL RLNSIKKLST IALALGVERT RSELLPFLTD DATA SEQUENCE TIYDEDEVLL ALAEQLGTFT TLVGGPEYVH CLLPPLESLA TVEETVVRDK DATA SEQUENCE AVESLRAISH EHSPSDLEAH FVPLVKRLAG GDWFTSRTSA CGLFSVCYPR DATA SEQUENCE VSSAVKAELR QYFRNLCSDD TPMVRRAAAS KLGEFAKVLE LDNVKSEIIP DATA SEQUENCE MFSNLASDEQ DSVRLLAVEA CVNIAQLLPQ EDLEALVMPT LRQAAEDKSW DATA SEQUENCE RVRYMVADKF TELQKAVGPE ITKTDLVPAF QNLMKDCEAE VRAAASHKVK DATA SEQUENCE EFCENLSADC RENVIMSQIL PCIKELVSDA NQHVKSALAS VIMGLSPILG DATA SEQUENCE KDNTIEHLLP LFLAQLKDEC PEVRLNIISN LDCVNEVIGI RQLSQSLLPA DATA SEQUENCE IVELAEDAKW RVRLAIIEYM PLLAGQLGVE FFDEKLNSLC MAWLVDHVYA DATA SEQUENCE IREAATSNLK KLVEKFGKEW AHATIIPKVL AMSGDPNYLH RMTTLFCINV DATA SEQUENCE LSEVCGQDIT TKHMLPTVLR MAGDPVANVR 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 M HA 0.000 nan 4.480 nan 0.000 0.227 8 M C 0.000 176.311 176.300 0.018 0.000 1.140 8 M CA 0.000 55.308 55.300 0.013 0.000 0.988 8 M CB 0.000 32.607 32.600 0.012 0.000 1.302 9 S N 0.298 116.015 115.700 0.029 0.000 2.616 9 S HA 0.778 5.245 4.470 -0.005 0.000 0.277 9 S C 0.556 175.189 174.600 0.055 0.000 1.234 9 S CA -0.766 57.459 58.200 0.041 0.000 1.028 9 S CB 0.587 63.818 63.200 0.051 0.000 0.988 9 S HN 0.796 nan 8.310 nan 0.000 0.522 10 L N 2.942 124.203 121.223 0.063 0.000 2.209 10 L HA 0.066 4.403 4.340 -0.005 0.000 0.207 10 L C 2.033 178.948 176.870 0.076 0.000 1.094 10 L CA 0.738 55.609 54.840 0.052 0.000 0.790 10 L CB -0.706 41.375 42.059 0.037 0.000 0.932 10 L HN 0.804 nan 8.230 nan 0.000 0.447 11 Y N 2.103 122.398 120.300 -0.008 0.000 1.977 11 Y HA -0.282 4.265 4.550 -0.005 0.000 0.264 11 Y C -0.301 175.595 175.900 -0.006 0.000 1.167 11 Y CA 2.531 60.627 58.100 -0.007 0.000 1.102 11 Y CB -1.620 36.836 38.460 -0.005 0.000 0.948 11 Y HN 0.085 nan 8.280 nan 0.000 0.489 12 P HA -0.229 nan 4.420 nan 0.000 0.217 12 P C 1.468 178.740 177.300 -0.047 0.000 1.148 12 P CA 2.416 65.540 63.100 0.040 0.000 0.834 12 P CB -0.182 31.570 31.700 0.086 0.000 0.783 13 I N -1.592 118.955 120.570 -0.039 0.000 2.480 13 I HA -0.103 4.064 4.170 -0.005 0.000 0.251 13 I C 2.319 178.379 176.117 -0.095 0.000 1.124 13 I CA 0.880 62.151 61.300 -0.048 0.000 1.444 13 I CB -0.760 37.226 38.000 -0.023 0.000 1.098 13 I HN -0.114 nan 8.210 nan 0.000 0.428 14 A N 0.879 123.616 122.820 -0.139 0.000 1.908 14 A HA -0.162 4.155 4.320 -0.005 0.000 0.218 14 A C 2.459 179.908 177.584 -0.224 0.000 1.181 14 A CA 1.845 53.774 52.037 -0.180 0.000 0.627 14 A CB -0.970 17.896 19.000 -0.222 0.000 0.818 14 A HN 0.219 nan 8.150 nan 0.000 0.445 15 V N -0.293 119.434 119.914 -0.311 0.000 2.237 15 V HA -0.257 3.860 4.120 -0.005 0.000 0.245 15 V C 2.503 178.516 176.094 -0.134 0.000 1.046 15 V CA 2.035 64.179 62.300 -0.260 0.000 1.007 15 V CB -0.847 30.808 31.823 -0.279 0.000 0.638 15 V HN 0.497 nan 8.190 nan 0.000 0.445 16 L N -0.627 120.538 121.223 -0.097 0.000 2.051 16 L HA -0.221 4.116 4.340 -0.005 0.000 0.214 16 L C 2.162 179.004 176.870 -0.048 0.000 1.076 16 L CA 1.911 56.720 54.840 -0.051 0.000 0.758 16 L CB -0.790 41.252 42.059 -0.027 0.000 0.890 16 L HN 0.255 nan 8.230 nan 0.000 0.433 17 I N -0.874 119.652 120.570 -0.073 0.000 2.142 17 I HA -0.295 3.872 4.170 -0.005 0.000 0.240 17 I C 2.091 178.152 176.117 -0.093 0.000 1.078 17 I CA 1.294 62.540 61.300 -0.089 0.000 1.343 17 I CB -0.373 37.553 38.000 -0.123 0.000 1.046 17 I HN 0.232 nan 8.210 nan 0.000 0.405 18 D N 0.541 120.882 120.400 -0.099 0.000 2.149 18 D HA -0.211 4.426 4.640 -0.005 0.000 0.198 18 D C 2.038 178.318 176.300 -0.033 0.000 0.990 18 D CA 1.059 55.013 54.000 -0.076 0.000 0.839 18 D CB -0.182 40.565 40.800 -0.088 0.000 0.948 18 D HN 0.169 nan 8.370 nan 0.000 0.460 19 E N 0.093 120.273 120.200 -0.034 0.000 2.160 19 E HA -0.105 4.242 4.350 -0.005 0.000 0.195 19 E C 2.088 178.696 176.600 0.014 0.000 0.991 19 E CA 0.371 56.763 56.400 -0.013 0.000 0.810 19 E CB -0.237 29.452 29.700 -0.019 0.000 0.742 19 E HN 0.332 nan 8.360 nan 0.000 0.466 20 L N -0.220 121.027 121.223 0.041 0.000 2.191 20 L HA -0.093 4.244 4.340 -0.005 0.000 0.212 20 L C 2.212 179.157 176.870 0.125 0.000 1.103 20 L CA 1.020 55.923 54.840 0.105 0.000 0.769 20 L CB -0.207 41.991 42.059 0.232 0.000 0.908 20 L HN 0.038 nan 8.230 nan 0.000 0.438 21 R N 0.228 120.800 120.500 0.120 0.000 2.696 21 R HA 0.090 4.427 4.340 -0.005 0.000 0.355 21 R C -0.093 176.236 176.300 0.048 0.000 1.138 21 R CA -0.185 55.987 56.100 0.119 0.000 1.059 21 R CB 0.070 30.477 30.300 0.178 0.000 1.380 21 R HN 0.196 nan 8.270 nan 0.000 0.578 22 N N -0.107 118.605 118.700 0.021 0.000 2.472 22 N HA 0.055 4.792 4.740 -0.005 0.000 0.289 22 N C 0.723 176.231 175.510 -0.003 0.000 1.156 22 N CA -0.407 52.648 53.050 0.007 0.000 0.940 22 N CB 1.433 39.920 38.487 0.000 0.000 1.200 22 N HN -0.080 nan 8.380 nan 0.000 0.511 23 E N 0.111 120.310 120.200 -0.001 0.000 2.012 23 E HA -0.175 4.172 4.350 -0.005 0.000 0.197 23 E C -0.347 176.246 176.600 -0.012 0.000 1.007 23 E CA 1.090 57.487 56.400 -0.005 0.000 0.816 23 E CB -0.535 29.166 29.700 0.001 0.000 0.762 23 E HN 0.689 nan 8.360 nan 0.000 0.451 24 D N 0.999 121.394 120.400 -0.008 0.000 2.520 24 D HA -0.074 4.563 4.640 -0.005 0.000 0.243 24 D C 1.188 177.478 176.300 -0.017 0.000 1.160 24 D CA 0.008 54.002 54.000 -0.010 0.000 0.877 24 D CB 1.181 41.977 40.800 -0.006 0.000 1.150 24 D HN -0.238 nan 8.370 nan 0.000 0.494 25 V N 4.405 124.306 119.914 -0.021 0.000 2.515 25 V HA -0.260 3.857 4.120 -0.005 0.000 0.250 25 V C 2.307 178.388 176.094 -0.023 0.000 1.058 25 V CA 1.538 63.821 62.300 -0.028 0.000 1.064 25 V CB -0.462 31.343 31.823 -0.029 0.000 0.675 25 V HN 0.511 nan 8.190 nan 0.000 0.461 26 Q N -0.148 119.643 119.800 -0.015 0.000 2.123 26 Q HA -0.002 4.335 4.340 -0.005 0.000 0.199 26 Q C 2.163 178.158 176.000 -0.008 0.000 0.966 26 Q CA 1.350 57.147 55.803 -0.010 0.000 0.845 26 Q CB -0.343 28.391 28.738 -0.006 0.000 0.907 26 Q HN 0.534 nan 8.270 nan 0.000 0.439 27 L N -0.285 120.933 121.223 -0.008 0.000 2.005 27 L HA -0.156 4.181 4.340 -0.005 0.000 0.207 27 L C 2.439 179.304 176.870 -0.008 0.000 1.072 27 L CA 1.285 56.121 54.840 -0.006 0.000 0.744 27 L CB -0.399 41.657 42.059 -0.006 0.000 0.895 27 L HN 0.160 nan 8.230 nan 0.000 0.433 28 R N -0.109 120.383 120.500 -0.014 0.000 2.117 28 R HA -0.229 4.108 4.340 -0.005 0.000 0.243 28 R C 2.200 178.488 176.300 -0.019 0.000 1.143 28 R CA 1.545 57.634 56.100 -0.018 0.000 0.968 28 R CB -0.333 29.944 30.300 -0.038 0.000 0.863 28 R HN 0.179 nan 8.270 nan 0.000 0.444 29 L N 0.790 122.001 121.223 -0.020 0.000 2.217 29 L HA -0.054 4.282 4.340 -0.005 0.000 0.211 29 L C 1.337 178.203 176.870 -0.007 0.000 1.107 29 L CA 1.628 56.457 54.840 -0.018 0.000 0.783 29 L CB -0.332 41.716 42.059 -0.018 0.000 0.919 29 L HN 0.088 nan 8.230 nan 0.000 0.442 30 N N -0.625 118.073 118.700 -0.003 0.000 2.106 30 N HA -0.123 4.614 4.740 -0.005 0.000 0.188 30 N C 1.870 177.386 175.510 0.010 0.000 1.029 30 N CA 1.613 54.666 53.050 0.004 0.000 0.848 30 N CB -0.369 38.121 38.487 0.004 0.000 1.007 30 N HN 0.323 nan 8.380 nan 0.000 0.423 31 S N 1.000 116.706 115.700 0.009 0.000 2.402 31 S HA 0.025 4.492 4.470 -0.005 0.000 0.229 31 S C 1.913 176.529 174.600 0.026 0.000 1.021 31 S CA 0.332 58.543 58.200 0.018 0.000 0.974 31 S CB -0.020 63.190 63.200 0.017 0.000 0.800 31 S HN 0.232 nan 8.310 nan 0.000 0.484 32 I N 2.037 122.615 120.570 0.013 0.000 2.286 32 I HA -0.141 4.026 4.170 -0.005 0.000 0.248 32 I C 1.905 178.030 176.117 0.012 0.000 1.115 32 I CA 1.461 62.762 61.300 0.002 0.000 1.392 32 I CB -0.675 37.311 38.000 -0.022 0.000 1.065 32 I HN 0.338 nan 8.210 nan 0.000 0.418 33 K N 0.356 120.767 120.400 0.019 0.000 2.432 33 K HA -0.042 4.275 4.320 -0.005 0.000 0.196 33 K C 0.945 177.576 176.600 0.052 0.000 1.038 33 K CA 0.469 56.775 56.287 0.031 0.000 0.986 33 K CB 0.221 32.735 32.500 0.022 0.000 0.782 33 K HN 0.179 nan 8.250 nan 0.000 0.485 34 K N 0.848 121.280 120.400 0.054 0.000 2.593 34 K HA 0.107 4.424 4.320 -0.005 0.000 0.208 34 K C 0.916 177.573 176.600 0.095 0.000 1.051 34 K CA -0.077 56.247 56.287 0.062 0.000 1.111 34 K CB 0.560 33.084 32.500 0.039 0.000 0.849 34 K HN -0.012 nan 8.250 nan 0.000 0.479 35 L N 1.575 122.880 121.223 0.137 0.000 2.083 35 L HA -0.170 4.167 4.340 -0.005 0.000 0.209 35 L C 2.339 179.415 176.870 0.344 0.000 1.083 35 L CA 1.835 56.810 54.840 0.225 0.000 0.752 35 L CB -0.764 41.397 42.059 0.169 0.000 0.899 35 L HN 0.243 nan 8.230 nan 0.000 0.433 36 S N -2.190 113.687 115.700 0.294 0.000 2.370 36 S HA -0.246 4.221 4.470 -0.005 0.000 0.226 36 S C 2.078 176.688 174.600 0.017 0.000 1.033 36 S CA 1.744 59.995 58.200 0.085 0.000 1.011 36 S CB -1.200 62.025 63.200 0.042 0.000 0.852 36 S HN 0.581 nan 8.310 nan 0.000 0.457 37 T N -0.692 113.889 114.554 0.046 0.000 3.072 37 T HA 0.128 4.475 4.350 -0.005 0.000 0.266 37 T C 1.468 176.181 174.700 0.021 0.000 1.127 37 T CA 0.717 62.829 62.100 0.020 0.000 1.107 37 T CB -0.484 68.397 68.868 0.022 0.000 0.910 37 T HN 0.301 nan 8.240 nan 0.000 0.513 38 I N 1.559 122.159 120.570 0.051 0.000 2.429 38 I HA 0.346 4.513 4.170 -0.005 0.000 0.247 38 I C 2.895 179.035 176.117 0.037 0.000 1.099 38 I CA 0.766 62.092 61.300 0.042 0.000 1.422 38 I CB -0.962 37.075 38.000 0.062 0.000 1.112 38 I HN 0.306 nan 8.210 nan 0.000 0.430 39 A N 0.379 123.240 122.820 0.069 0.000 1.940 39 A HA -0.164 4.153 4.320 -0.005 0.000 0.219 39 A C 2.255 179.809 177.584 -0.051 0.000 1.176 39 A CA 1.321 53.372 52.037 0.023 0.000 0.631 39 A CB -0.842 18.140 19.000 -0.032 0.000 0.814 39 A HN 0.338 nan 8.150 nan 0.000 0.446 40 L N -0.472 120.712 121.223 -0.066 0.000 1.994 40 L HA -0.182 4.155 4.340 -0.005 0.000 0.208 40 L C 2.944 179.789 176.870 -0.043 0.000 1.071 40 L CA 2.359 57.158 54.840 -0.069 0.000 0.745 40 L CB -1.483 40.541 42.059 -0.058 0.000 0.892 40 L HN 0.446 nan 8.230 nan 0.000 0.431 41 A N -0.560 122.245 122.820 -0.026 0.000 1.972 41 A HA -0.107 4.209 4.320 -0.005 0.000 0.219 41 A C 1.495 179.066 177.584 -0.021 0.000 1.169 41 A CA 0.725 52.750 52.037 -0.019 0.000 0.635 41 A CB -0.309 18.683 19.000 -0.012 0.000 0.810 41 A HN 0.286 nan 8.150 nan 0.000 0.446 42 L N -1.946 119.264 121.223 -0.021 0.000 2.540 42 L HA 0.291 4.628 4.340 -0.005 0.000 0.215 42 L C 1.959 178.811 176.870 -0.030 0.000 1.204 42 L CA 0.867 55.694 54.840 -0.021 0.000 0.841 42 L CB -0.979 41.073 42.059 -0.011 0.000 1.420 42 L HN 0.335 nan 8.230 nan 0.000 0.519 43 G N -0.484 108.297 108.800 -0.031 0.000 2.830 43 G HA2 0.223 4.180 3.960 -0.005 0.000 0.172 43 G HA3 0.223 4.180 3.960 -0.005 0.000 0.172 43 G C 0.663 175.527 174.900 -0.060 0.000 1.782 43 G CA 0.881 45.955 45.100 -0.043 0.000 0.900 43 G HN 0.410 nan 8.290 nan 0.000 0.389 44 V N -0.117 119.752 119.914 -0.074 0.000 3.605 44 V HA 0.107 4.224 4.120 -0.005 0.000 0.262 44 V C 1.328 177.349 176.094 -0.121 0.000 1.741 44 V CA 0.845 63.083 62.300 -0.104 0.000 1.097 44 V CB 0.874 32.620 31.823 -0.129 0.000 0.934 44 V HN 0.652 nan 8.190 nan 0.000 0.373 45 E N 0.364 120.505 120.200 -0.098 0.000 2.413 45 E HA 0.121 4.468 4.350 -0.005 0.000 0.203 45 E C 1.762 178.339 176.600 -0.038 0.000 0.957 45 E CA 0.286 56.632 56.400 -0.091 0.000 0.950 45 E CB -0.006 29.644 29.700 -0.084 0.000 0.957 45 E HN 0.433 nan 8.360 nan 0.000 0.497 46 R N 0.485 120.968 120.500 -0.029 0.000 2.173 46 R HA 0.178 4.515 4.340 -0.005 0.000 0.208 46 R C 1.876 178.181 176.300 0.008 0.000 1.035 46 R CA 1.175 57.269 56.100 -0.009 0.000 1.004 46 R CB -0.136 30.155 30.300 -0.015 0.000 0.917 46 R HN 0.127 nan 8.270 nan 0.000 0.462 47 T N 0.976 115.535 114.554 0.007 0.000 2.737 47 T HA -0.072 4.275 4.350 -0.005 0.000 0.265 47 T C 1.850 176.589 174.700 0.066 0.000 1.038 47 T CA 1.063 63.192 62.100 0.049 0.000 1.144 47 T CB -0.022 68.867 68.868 0.035 0.000 0.866 47 T HN 0.204 nan 8.240 nan 0.000 0.434 48 R N 1.039 121.557 120.500 0.031 0.000 2.115 48 R HA -0.029 4.308 4.340 -0.005 0.000 0.230 48 R C 2.574 178.903 176.300 0.048 0.000 1.111 48 R CA 1.614 57.739 56.100 0.042 0.000 0.976 48 R CB -0.149 30.152 30.300 0.001 0.000 0.870 48 R HN 0.464 nan 8.270 nan 0.000 0.445 49 S N -1.213 114.507 115.700 0.034 0.000 2.523 49 S HA 0.147 4.614 4.470 -0.005 0.000 0.217 49 S C 1.139 175.763 174.600 0.040 0.000 0.996 49 S CA -0.320 57.901 58.200 0.036 0.000 0.921 49 S CB 0.598 63.812 63.200 0.024 0.000 0.829 49 S HN 0.238 nan 8.310 nan 0.000 0.495 50 E N 0.308 120.534 120.200 0.042 0.000 2.756 50 E HA 0.258 4.605 4.350 -0.005 0.000 0.192 50 E C 1.492 178.136 176.600 0.073 0.000 1.022 50 E CA 0.099 56.522 56.400 0.039 0.000 1.224 50 E CB -0.404 29.298 29.700 0.003 0.000 1.252 50 E HN 0.245 nan 8.360 nan 0.000 0.494 51 L N 2.109 123.378 121.223 0.076 0.000 2.046 51 L HA -0.118 4.219 4.340 -0.005 0.000 0.208 51 L C 2.167 179.139 176.870 0.171 0.000 1.077 51 L CA 1.471 56.387 54.840 0.126 0.000 0.747 51 L CB -0.334 41.805 42.059 0.133 0.000 0.896 51 L HN 0.133 nan 8.230 nan 0.000 0.432 52 L N -0.661 120.641 121.223 0.132 0.000 1.994 52 L HA -0.157 4.180 4.340 -0.005 0.000 0.208 52 L C 0.003 176.933 176.870 0.099 0.000 1.071 52 L CA 1.496 56.399 54.840 0.105 0.000 0.745 52 L CB -1.972 40.142 42.059 0.091 0.000 0.892 52 L HN 0.243 nan 8.230 nan 0.000 0.431 53 P HA -0.244 nan 4.420 nan 0.000 0.215 53 P C 1.576 178.957 177.300 0.134 0.000 1.157 53 P CA 1.516 64.676 63.100 0.099 0.000 0.874 53 P CB -0.103 31.656 31.700 0.099 0.000 0.790 54 F N 0.100 120.060 119.950 0.018 0.000 2.095 54 F HA -0.151 4.373 4.527 -0.005 0.000 0.298 54 F C 1.848 177.657 175.800 0.016 0.000 1.104 54 F CA 1.518 59.529 58.000 0.020 0.000 1.232 54 F CB -0.940 38.069 39.000 0.014 0.000 0.987 54 F HN -0.251 nan 8.300 nan 0.000 0.475 55 L N -0.746 120.503 121.223 0.044 0.000 2.551 55 L HA -0.113 4.224 4.340 -0.005 0.000 0.228 55 L C 1.993 178.807 176.870 -0.093 0.000 1.153 55 L CA 1.014 55.802 54.840 -0.086 0.000 0.851 55 L CB -0.737 41.313 42.059 -0.015 0.000 0.959 55 L HN 0.146 nan 8.230 nan 0.000 0.451 56 T N -1.554 112.970 114.554 -0.049 0.000 2.901 56 T HA -0.070 4.277 4.350 -0.005 0.000 0.252 56 T C 1.165 175.843 174.700 -0.038 0.000 1.035 56 T CA 0.666 62.746 62.100 -0.033 0.000 1.142 56 T CB 0.018 68.883 68.868 -0.006 0.000 0.869 56 T HN 0.218 nan 8.240 nan 0.000 0.442 57 D N 0.992 121.363 120.400 -0.048 0.000 2.240 57 D HA -0.143 4.494 4.640 -0.005 0.000 0.204 57 D C 2.139 178.439 176.300 -0.000 0.000 1.018 57 D CA 1.990 55.970 54.000 -0.033 0.000 0.887 57 D CB -0.899 39.874 40.800 -0.044 0.000 1.087 57 D HN 0.286 nan 8.370 nan 0.000 0.464 58 T N -0.329 114.213 114.554 -0.021 0.000 1.924 58 T HA -0.377 3.970 4.350 -0.005 0.000 0.152 58 T C 1.162 175.998 174.700 0.225 0.000 1.902 58 T CA 2.869 65.064 62.100 0.158 0.000 1.015 58 T CB -0.684 68.029 68.868 -0.258 0.000 0.843 58 T HN 0.272 nan 8.240 nan 0.000 0.389 59 I N 0.554 121.134 120.570 0.017 0.000 6.332 59 I HA -0.164 4.003 4.170 -0.005 0.000 0.126 59 I C -0.197 175.984 176.117 0.107 0.000 1.783 59 I CA 1.635 62.948 61.300 0.022 0.000 2.232 59 I CB -2.086 35.927 38.000 0.022 0.000 3.392 59 I HN 0.741 nan 8.210 nan 0.000 0.225 60 Y N -1.120 119.124 120.300 -0.094 0.000 2.359 60 Y HA 0.740 5.287 4.550 -0.005 0.000 0.336 60 Y C -0.425 175.430 175.900 -0.075 0.000 1.098 60 Y CA -1.039 57.012 58.100 -0.082 0.000 1.272 60 Y CB 0.982 39.394 38.460 -0.079 0.000 1.112 60 Y HN 0.063 nan 8.280 nan 0.000 0.481 61 D N 1.317 121.651 120.400 -0.111 0.000 4.846 61 D HA 0.120 4.757 4.640 -0.005 0.000 0.335 61 D C -0.902 175.355 176.300 -0.071 0.000 1.773 61 D CA -0.242 53.666 54.000 -0.153 0.000 0.986 61 D CB 0.495 41.165 40.800 -0.216 0.000 1.526 61 D HN 0.573 nan 8.370 nan 0.000 0.688 62 E N 1.091 121.247 120.200 -0.073 0.000 2.299 62 E HA 0.371 4.718 4.350 -0.005 0.000 0.265 62 E C -0.232 176.340 176.600 -0.046 0.000 0.911 62 E CA -0.393 55.978 56.400 -0.048 0.000 0.789 62 E CB 1.725 31.400 29.700 -0.042 0.000 1.246 62 E HN 0.073 nan 8.360 nan 0.000 0.427 63 D N 1.285 121.664 120.400 -0.035 0.000 2.495 63 D HA -0.311 4.326 4.640 -0.005 0.000 0.201 63 D C 1.465 177.746 176.300 -0.031 0.000 1.041 63 D CA 2.664 56.647 54.000 -0.030 0.000 0.890 63 D CB -0.130 40.657 40.800 -0.021 0.000 1.089 63 D HN 0.787 nan 8.370 nan 0.000 0.471 64 E N -0.363 119.821 120.200 -0.027 0.000 2.119 64 E HA -0.304 4.042 4.350 -0.005 0.000 0.221 64 E C 2.066 178.646 176.600 -0.032 0.000 1.062 64 E CA 2.336 58.721 56.400 -0.025 0.000 0.894 64 E CB -0.231 29.456 29.700 -0.022 0.000 0.785 64 E HN 0.114 nan 8.360 nan 0.000 0.472 65 V N 0.670 120.557 119.914 -0.044 0.000 2.237 65 V HA -0.293 3.824 4.120 -0.005 0.000 0.245 65 V C 2.471 178.528 176.094 -0.062 0.000 1.046 65 V CA 2.073 64.338 62.300 -0.057 0.000 1.007 65 V CB -0.580 31.195 31.823 -0.080 0.000 0.638 65 V HN 0.347 nan 8.190 nan 0.000 0.445 66 L N -0.823 120.361 121.223 -0.065 0.000 2.042 66 L HA -0.212 4.125 4.340 -0.005 0.000 0.210 66 L C 2.504 179.346 176.870 -0.047 0.000 1.076 66 L CA 1.254 56.057 54.840 -0.062 0.000 0.749 66 L CB -0.692 41.334 42.059 -0.055 0.000 0.893 66 L HN 0.335 nan 8.230 nan 0.000 0.432 67 L N 0.170 121.371 121.223 -0.036 0.000 2.079 67 L HA -0.185 4.152 4.340 -0.005 0.000 0.210 67 L C 2.539 179.395 176.870 -0.023 0.000 1.081 67 L CA 2.067 56.892 54.840 -0.024 0.000 0.752 67 L CB -0.706 41.343 42.059 -0.017 0.000 0.896 67 L HN 0.175 nan 8.230 nan 0.000 0.433 68 A N -1.314 121.488 122.820 -0.029 0.000 1.898 68 A HA -0.086 4.231 4.320 -0.005 0.000 0.214 68 A C 2.123 179.679 177.584 -0.046 0.000 1.183 68 A CA 1.205 53.226 52.037 -0.027 0.000 0.622 68 A CB -0.847 18.139 19.000 -0.024 0.000 0.824 68 A HN 0.396 nan 8.150 nan 0.000 0.444 69 L N 0.223 121.408 121.223 -0.063 0.000 2.043 69 L HA -0.136 4.200 4.340 -0.005 0.000 0.212 69 L C 2.539 179.351 176.870 -0.096 0.000 1.075 69 L CA 2.289 57.073 54.840 -0.094 0.000 0.752 69 L CB -0.995 41.007 42.059 -0.095 0.000 0.891 69 L HN 0.355 nan 8.230 nan 0.000 0.432 70 A N -0.872 121.912 122.820 -0.061 0.000 1.873 70 A HA -0.245 4.072 4.320 -0.005 0.000 0.215 70 A C 2.345 179.911 177.584 -0.029 0.000 1.186 70 A CA 1.614 53.625 52.037 -0.043 0.000 0.616 70 A CB -0.761 18.226 19.000 -0.023 0.000 0.823 70 A HN 0.605 nan 8.150 nan 0.000 0.442 71 E N -0.871 119.319 120.200 -0.018 0.000 2.110 71 E HA -0.288 4.059 4.350 -0.005 0.000 0.193 71 E C 2.166 178.767 176.600 0.001 0.000 0.988 71 E CA 1.475 57.878 56.400 0.005 0.000 0.804 71 E CB -0.101 29.606 29.700 0.012 0.000 0.745 71 E HN 0.607 nan 8.360 nan 0.000 0.458 72 Q N 0.762 120.537 119.800 -0.041 0.000 1.975 72 Q HA -0.134 4.203 4.340 -0.005 0.000 0.205 72 Q C 2.195 178.113 176.000 -0.137 0.000 0.990 72 Q CA 1.686 57.443 55.803 -0.077 0.000 0.845 72 Q CB -0.395 28.239 28.738 -0.173 0.000 0.913 72 Q HN 0.367 nan 8.270 nan 0.000 0.420 73 L N -0.275 120.807 121.223 -0.236 0.000 2.450 73 L HA -0.166 4.171 4.340 -0.005 0.000 0.225 73 L C 1.964 178.848 176.870 0.024 0.000 1.145 73 L CA 0.855 55.574 54.840 -0.201 0.000 0.801 73 L CB -0.689 41.283 42.059 -0.145 0.000 0.924 73 L HN 0.431 nan 8.230 nan 0.000 0.447 74 G N -0.983 107.849 108.800 0.053 0.000 2.511 74 G HA2 -0.143 3.814 3.960 -0.005 0.000 0.217 74 G HA3 -0.143 3.814 3.960 -0.005 0.000 0.217 74 G C 0.911 175.902 174.900 0.152 0.000 1.133 74 G CA 0.848 46.010 45.100 0.104 0.000 0.792 74 G HN 0.414 nan 8.290 nan 0.000 0.539 75 T N -3.632 111.043 114.554 0.202 0.000 3.250 75 T HA 0.623 4.970 4.350 -0.005 0.000 0.391 75 T C -0.559 174.399 174.700 0.431 0.000 1.502 75 T CA -0.844 61.396 62.100 0.233 0.000 1.320 75 T CB 0.257 69.236 68.868 0.186 0.000 1.102 75 T HN -0.060 nan 8.240 nan 0.000 0.610 76 F N 0.470 120.446 119.950 0.044 0.000 3.033 76 F HA 0.236 4.760 4.527 -0.005 0.000 0.332 76 F C 1.741 177.565 175.800 0.041 0.000 1.266 76 F CA -0.515 57.508 58.000 0.038 0.000 0.998 76 F CB 0.277 39.302 39.000 0.041 0.000 1.438 76 F HN 0.421 nan 8.300 nan 0.000 0.501 77 T N -0.878 113.762 114.554 0.142 0.000 2.674 77 T HA -0.201 4.146 4.350 -0.005 0.000 0.265 77 T C 2.287 177.008 174.700 0.034 0.000 1.039 77 T CA 2.496 64.652 62.100 0.093 0.000 1.150 77 T CB -0.419 68.495 68.868 0.078 0.000 0.864 77 T HN 0.427 nan 8.240 nan 0.000 0.427 78 T N 1.070 115.619 114.554 -0.009 0.000 2.857 78 T HA 0.088 4.435 4.350 -0.005 0.000 0.266 78 T C 2.033 176.674 174.700 -0.098 0.000 1.048 78 T CA 0.566 62.642 62.100 -0.039 0.000 1.139 78 T CB -0.755 68.087 68.868 -0.043 0.000 0.874 78 T HN 0.242 nan 8.240 nan 0.000 0.455 79 L N 0.625 121.733 121.223 -0.191 0.000 2.349 79 L HA -0.002 4.335 4.340 -0.005 0.000 0.220 79 L C 2.289 179.039 176.870 -0.201 0.000 1.130 79 L CA 0.727 55.380 54.840 -0.312 0.000 0.791 79 L CB -0.113 41.492 42.059 -0.757 0.000 0.918 79 L HN 0.261 nan 8.230 nan 0.000 0.444 80 V N -1.387 118.474 119.914 -0.089 0.000 3.644 80 V HA 0.246 4.363 4.120 -0.005 0.000 0.267 80 V C 1.100 177.134 176.094 -0.100 0.000 1.277 80 V CA 0.869 63.155 62.300 -0.022 0.000 1.096 80 V CB 0.521 32.405 31.823 0.101 0.000 0.828 80 V HN 0.581 nan 8.190 nan 0.000 0.446 81 G N -0.233 108.517 108.800 -0.084 0.000 2.338 81 G HA2 0.310 4.267 3.960 -0.005 0.000 0.115 81 G HA3 0.310 4.267 3.960 -0.005 0.000 0.115 81 G C 0.443 175.403 174.900 0.099 0.000 1.053 81 G CA -0.251 44.783 45.100 -0.109 0.000 0.733 81 G HN 1.353 nan 8.290 nan 0.000 0.482 82 G N -0.437 108.401 108.800 0.064 0.000 2.916 82 G HA2 0.064 4.021 3.960 -0.005 0.000 0.533 82 G HA3 0.064 4.021 3.960 -0.005 0.000 0.533 82 G C -0.680 174.270 174.900 0.084 0.000 1.516 82 G CA 0.073 45.217 45.100 0.073 0.000 0.944 82 G HN 0.624 nan 8.290 nan 0.000 0.555 83 P HA -0.113 nan 4.420 nan 0.000 0.219 83 P C 1.408 178.616 177.300 -0.154 0.000 1.145 83 P CA 1.810 64.865 63.100 -0.074 0.000 0.813 83 P CB 0.078 31.738 31.700 -0.066 0.000 0.771 84 E N -1.885 118.239 120.200 -0.126 0.000 2.268 84 E HA -0.162 4.185 4.350 -0.005 0.000 0.195 84 E C 0.355 176.531 176.600 -0.706 0.000 0.995 84 E CA 0.835 56.989 56.400 -0.410 0.000 0.836 84 E CB -0.067 29.356 29.700 -0.463 0.000 0.763 84 E HN 0.360 nan 8.360 nan 0.000 0.491 85 Y N -2.012 118.183 120.300 -0.175 0.000 2.707 85 Y HA 0.172 4.719 4.550 -0.005 0.000 0.249 85 Y C 1.151 177.043 175.900 -0.013 0.000 1.166 85 Y CA -0.370 57.661 58.100 -0.116 0.000 1.184 85 Y CB 0.384 38.843 38.460 -0.001 0.000 1.240 85 Y HN -0.097 nan 8.280 nan 0.000 0.547 86 V N 1.244 121.150 119.914 -0.014 0.000 2.828 86 V HA -0.291 3.826 4.120 -0.005 0.000 0.260 86 V C 2.115 178.255 176.094 0.077 0.000 1.101 86 V CA 2.601 64.890 62.300 -0.019 0.000 1.123 86 V CB -0.573 31.116 31.823 -0.222 0.000 0.704 86 V HN 0.787 nan 8.190 nan 0.000 0.493 87 H N -3.458 115.536 119.070 -0.126 0.000 2.547 87 H HA -0.073 4.480 4.556 -0.005 0.000 0.272 87 H C 2.231 177.574 175.328 0.025 0.000 0.989 87 H CA 0.975 57.005 56.048 -0.030 0.000 1.214 87 H CB -0.584 28.962 29.762 -0.361 0.000 1.389 87 H HN 0.483 nan 8.280 nan 0.000 0.577 88 C N 1.099 120.533 119.300 0.224 0.000 2.435 88 C HA -0.061 4.396 4.460 -0.005 0.000 0.279 88 C C 2.619 177.651 174.990 0.069 0.000 1.321 88 C CA 0.483 59.540 59.018 0.066 0.000 1.752 88 C CB -0.893 26.947 27.740 0.167 0.000 1.959 88 C HN 0.626 nan 8.230 nan 0.000 0.500 89 L N 0.353 121.652 121.223 0.126 0.000 2.362 89 L HA -0.120 4.217 4.340 -0.005 0.000 0.219 89 L C 2.361 179.279 176.870 0.081 0.000 1.134 89 L CA 0.925 55.834 54.840 0.115 0.000 0.807 89 L CB -0.513 41.641 42.059 0.158 0.000 0.927 89 L HN 0.441 nan 8.230 nan 0.000 0.447 90 L N -0.291 120.981 121.223 0.082 0.000 2.027 90 L HA -0.134 4.203 4.340 -0.005 0.000 0.206 90 L C -0.057 176.810 176.870 -0.006 0.000 1.074 90 L CA 1.294 56.158 54.840 0.040 0.000 0.745 90 L CB -1.969 40.122 42.059 0.053 0.000 0.898 90 L HN 0.208 nan 8.230 nan 0.000 0.433 91 P HA -0.149 nan 4.420 nan 0.000 0.214 91 P C -1.357 175.934 177.300 -0.016 0.000 1.163 91 P CA 1.742 64.830 63.100 -0.021 0.000 0.889 91 P CB -1.120 30.568 31.700 -0.020 0.000 0.790 92 P HA -0.108 nan 4.420 nan 0.000 0.216 92 P C 1.717 179.004 177.300 -0.022 0.000 1.153 92 P CA 1.395 64.483 63.100 -0.020 0.000 0.844 92 P CB -0.380 31.304 31.700 -0.027 0.000 0.787 93 L N -0.288 120.926 121.223 -0.015 0.000 2.141 93 L HA -0.126 4.211 4.340 -0.005 0.000 0.209 93 L C 2.913 179.769 176.870 -0.024 0.000 1.094 93 L CA 1.376 56.207 54.840 -0.015 0.000 0.763 93 L CB -0.789 41.272 42.059 0.003 0.000 0.908 93 L HN 0.019 nan 8.230 nan 0.000 0.437 94 E N -0.467 119.712 120.200 -0.034 0.000 2.038 94 E HA -0.251 4.096 4.350 -0.005 0.000 0.195 94 E C 2.307 178.897 176.600 -0.017 0.000 1.000 94 E CA 1.535 57.909 56.400 -0.044 0.000 0.803 94 E CB 0.017 29.684 29.700 -0.055 0.000 0.750 94 E HN 0.281 nan 8.360 nan 0.000 0.448 95 S N 0.200 115.896 115.700 -0.007 0.000 2.377 95 S HA -0.205 4.262 4.470 -0.005 0.000 0.224 95 S C 1.993 176.603 174.600 0.017 0.000 1.042 95 S CA 1.656 59.866 58.200 0.016 0.000 1.086 95 S CB -0.470 62.735 63.200 0.008 0.000 0.995 95 S HN 0.319 nan 8.310 nan 0.000 0.428 96 L N 1.056 122.277 121.223 -0.003 0.000 2.189 96 L HA -0.150 4.187 4.340 -0.005 0.000 0.214 96 L C 2.486 179.352 176.870 -0.007 0.000 1.097 96 L CA 1.143 55.977 54.840 -0.010 0.000 0.764 96 L CB -0.502 41.544 42.059 -0.021 0.000 0.900 96 L HN 0.409 nan 8.230 nan 0.000 0.436 97 A N -1.632 121.185 122.820 -0.003 0.000 2.235 97 A HA -0.049 4.267 4.320 -0.005 0.000 0.208 97 A C 2.200 179.789 177.584 0.007 0.000 1.172 97 A CA 1.329 53.365 52.037 -0.002 0.000 0.786 97 A CB -0.403 18.591 19.000 -0.011 0.000 0.804 97 A HN 0.312 nan 8.150 nan 0.000 0.479 98 T N -0.609 113.960 114.554 0.025 0.000 3.037 98 T HA 0.150 4.497 4.350 -0.005 0.000 0.252 98 T C 0.717 175.406 174.700 -0.019 0.000 1.073 98 T CA 0.080 62.217 62.100 0.062 0.000 1.091 98 T CB -0.177 68.803 68.868 0.186 0.000 0.935 98 T HN 0.090 nan 8.240 nan 0.000 0.488 99 V N 3.346 123.238 119.914 -0.037 0.000 2.953 99 V HA -0.097 4.020 4.120 -0.005 0.000 0.304 99 V C 1.589 177.611 176.094 -0.120 0.000 1.138 99 V CA 0.503 62.755 62.300 -0.081 0.000 1.266 99 V CB 0.554 32.347 31.823 -0.051 0.000 0.923 99 V HN 0.593 nan 8.190 nan 0.000 0.505 100 E N 2.235 122.346 120.200 -0.149 0.000 2.106 100 E HA -0.101 4.246 4.350 -0.005 0.000 0.192 100 E C 0.677 177.227 176.600 -0.082 0.000 0.984 100 E CA 0.545 56.853 56.400 -0.153 0.000 0.806 100 E CB -0.170 29.441 29.700 -0.149 0.000 0.750 100 E HN 0.600 nan 8.360 nan 0.000 0.458 101 E N 1.329 121.493 120.200 -0.061 0.000 2.406 101 E HA -0.042 4.305 4.350 -0.005 0.000 0.258 101 E C 0.823 177.410 176.600 -0.023 0.000 1.043 101 E CA 0.511 56.891 56.400 -0.034 0.000 0.929 101 E CB 1.009 30.690 29.700 -0.031 0.000 0.969 101 E HN 0.374 nan 8.360 nan 0.000 0.462 102 T N 0.134 114.684 114.554 -0.006 0.000 3.035 102 T HA -0.060 4.287 4.350 -0.005 0.000 0.268 102 T C 1.586 176.290 174.700 0.006 0.000 1.109 102 T CA 0.702 62.806 62.100 0.006 0.000 1.119 102 T CB 0.171 69.053 68.868 0.024 0.000 0.900 102 T HN 0.189 nan 8.240 nan 0.000 0.503 103 V N 0.534 120.449 119.914 0.002 0.000 2.719 103 V HA 0.024 4.141 4.120 -0.005 0.000 0.252 103 V C 2.580 178.674 176.094 0.001 0.000 1.065 103 V CA 1.029 63.331 62.300 0.004 0.000 1.086 103 V CB -0.078 31.746 31.823 0.002 0.000 0.700 103 V HN 0.478 nan 8.190 nan 0.000 0.467 104 V N -0.270 119.640 119.914 -0.007 0.000 2.346 104 V HA -0.136 3.981 4.120 -0.005 0.000 0.244 104 V C 2.555 178.645 176.094 -0.006 0.000 1.037 104 V CA 1.811 64.105 62.300 -0.011 0.000 1.029 104 V CB -0.700 31.110 31.823 -0.022 0.000 0.663 104 V HN 0.436 nan 8.190 nan 0.000 0.454 105 R N 0.073 120.569 120.500 -0.007 0.000 2.096 105 R HA -0.222 4.115 4.340 -0.005 0.000 0.240 105 R C 2.087 178.393 176.300 0.010 0.000 1.139 105 R CA 2.076 58.175 56.100 -0.001 0.000 0.952 105 R CB -0.623 29.676 30.300 -0.002 0.000 0.854 105 R HN 0.499 nan 8.270 nan 0.000 0.436 106 D N 0.412 120.820 120.400 0.014 0.000 2.126 106 D HA -0.173 4.464 4.640 -0.005 0.000 0.190 106 D C 1.897 178.213 176.300 0.027 0.000 1.001 106 D CA 1.228 55.242 54.000 0.023 0.000 0.841 106 D CB -0.073 40.741 40.800 0.023 0.000 0.949 106 D HN -0.014 nan 8.370 nan 0.000 0.446 107 K N 0.527 120.939 120.400 0.020 0.000 1.978 107 K HA -0.074 4.243 4.320 -0.005 0.000 0.214 107 K C 2.099 178.715 176.600 0.025 0.000 1.049 107 K CA 1.209 57.509 56.287 0.022 0.000 0.939 107 K CB -0.938 31.568 32.500 0.011 0.000 0.721 107 K HN 0.107 nan 8.250 nan 0.000 0.441 108 A N 1.098 123.927 122.820 0.014 0.000 1.896 108 A HA -0.224 4.093 4.320 -0.005 0.000 0.220 108 A C 2.567 180.169 177.584 0.030 0.000 1.206 108 A CA 2.547 54.592 52.037 0.014 0.000 0.647 108 A CB -1.060 17.941 19.000 0.001 0.000 0.828 108 A HN 0.114 nan 8.150 nan 0.000 0.455 109 V N 0.060 119.993 119.914 0.033 0.000 2.255 109 V HA -0.317 3.800 4.120 -0.005 0.000 0.247 109 V C 2.598 178.737 176.094 0.075 0.000 1.051 109 V CA 2.484 64.815 62.300 0.051 0.000 1.018 109 V CB -0.770 31.085 31.823 0.052 0.000 0.641 109 V HN 0.794 nan 8.190 nan 0.000 0.445 110 E N 0.090 120.331 120.200 0.068 0.000 2.065 110 E HA -0.278 4.068 4.350 -0.005 0.000 0.201 110 E C 2.327 178.981 176.600 0.090 0.000 1.016 110 E CA 2.164 58.611 56.400 0.079 0.000 0.818 110 E CB -0.191 29.548 29.700 0.064 0.000 0.749 110 E HN 0.601 nan 8.360 nan 0.000 0.453 111 S N 0.827 116.574 115.700 0.078 0.000 2.359 111 S HA -0.143 4.324 4.470 -0.005 0.000 0.224 111 S C 2.065 176.736 174.600 0.118 0.000 1.035 111 S CA 1.107 59.361 58.200 0.089 0.000 1.018 111 S CB -0.309 62.930 63.200 0.065 0.000 0.876 111 S HN 0.284 nan 8.310 nan 0.000 0.448 112 L N 0.895 122.188 121.223 0.117 0.000 2.013 112 L HA -0.205 4.132 4.340 -0.005 0.000 0.212 112 L C 2.732 179.754 176.870 0.253 0.000 1.073 112 L CA 1.519 56.466 54.840 0.178 0.000 0.753 112 L CB -0.510 41.605 42.059 0.093 0.000 0.890 112 L HN 0.279 nan 8.230 nan 0.000 0.432 113 R N -0.307 120.298 120.500 0.175 0.000 2.073 113 R HA -0.143 4.194 4.340 -0.005 0.000 0.234 113 R C 2.451 178.755 176.300 0.006 0.000 1.134 113 R CA 1.333 57.490 56.100 0.095 0.000 0.952 113 R CB -0.563 29.816 30.300 0.131 0.000 0.850 113 R HN 0.372 nan 8.270 nan 0.000 0.433 114 A N 2.066 124.954 122.820 0.112 0.000 1.851 114 A HA -0.188 4.129 4.320 -0.005 0.000 0.216 114 A C 2.225 179.886 177.584 0.128 0.000 1.195 114 A CA 1.888 54.020 52.037 0.159 0.000 0.622 114 A CB -0.822 18.264 19.000 0.143 0.000 0.831 114 A HN 0.507 nan 8.150 nan 0.000 0.444 115 I N -0.912 119.740 120.570 0.136 0.000 3.176 115 I HA -0.091 4.076 4.170 -0.005 0.000 0.275 115 I C 2.037 178.273 176.117 0.199 0.000 1.298 115 I CA 1.526 62.935 61.300 0.181 0.000 1.445 115 I CB -0.425 37.719 38.000 0.239 0.000 1.075 115 I HN 0.330 nan 8.210 nan 0.000 0.482 116 S N 0.893 116.541 115.700 -0.087 0.000 2.399 116 S HA -0.191 4.276 4.470 -0.005 0.000 0.231 116 S C 1.521 175.924 174.600 -0.328 0.000 1.022 116 S CA 0.821 58.695 58.200 -0.543 0.000 0.983 116 S CB -0.875 61.629 63.200 -1.160 0.000 0.803 116 S HN 0.617 nan 8.310 nan 0.000 0.480 117 H N 1.411 120.484 119.070 0.004 0.000 2.749 117 H HA 0.372 4.925 4.556 -0.005 0.000 0.306 117 H C 0.447 175.799 175.328 0.040 0.000 1.091 117 H CA 0.259 56.312 56.048 0.008 0.000 1.180 117 H CB -0.076 29.690 29.762 0.007 0.000 1.349 117 H HN 0.565 nan 8.280 nan 0.000 0.570 118 E N -0.096 120.186 120.200 0.136 0.000 2.676 118 E HA 0.039 4.386 4.350 -0.005 0.000 0.225 118 E C -0.284 176.273 176.600 -0.072 0.000 0.944 118 E CA -0.139 56.283 56.400 0.037 0.000 1.156 118 E CB 0.492 30.201 29.700 0.014 0.000 1.117 118 E HN 0.448 nan 8.360 nan 0.000 0.523 119 H N 1.396 120.434 119.070 -0.053 0.000 2.652 119 H HA 0.189 4.742 4.556 -0.005 0.000 0.298 119 H C 0.316 175.614 175.328 -0.050 0.000 1.076 119 H CA -0.399 55.615 56.048 -0.057 0.000 1.360 119 H CB 0.729 30.436 29.762 -0.092 0.000 1.421 119 H HN -0.097 nan 8.280 nan 0.000 0.464 120 S N 3.509 119.218 115.700 0.014 0.000 2.549 120 S HA 0.023 4.490 4.470 -0.005 0.000 0.286 120 S C -1.563 173.057 174.600 0.033 0.000 1.314 120 S CA -1.144 57.060 58.200 0.006 0.000 1.062 120 S CB 1.171 64.355 63.200 -0.026 0.000 0.865 120 S HN 0.416 nan 8.310 nan 0.000 0.498 121 P HA -0.237 nan 4.420 nan 0.000 0.220 121 P C 1.594 178.907 177.300 0.022 0.000 1.149 121 P CA 1.705 64.810 63.100 0.009 0.000 0.829 121 P CB -0.033 31.663 31.700 -0.007 0.000 0.772 122 S N -0.885 114.832 115.700 0.028 0.000 2.355 122 S HA -0.163 4.304 4.470 -0.005 0.000 0.210 122 S C 1.720 176.380 174.600 0.100 0.000 1.035 122 S CA 1.634 59.857 58.200 0.038 0.000 1.011 122 S CB -1.131 62.081 63.200 0.019 0.000 1.000 122 S HN 0.042 nan 8.310 nan 0.000 0.423 123 D N 2.056 122.547 120.400 0.153 0.000 2.160 123 D HA -0.152 4.485 4.640 -0.005 0.000 0.189 123 D C 2.092 178.638 176.300 0.410 0.000 1.003 123 D CA 1.303 55.522 54.000 0.364 0.000 0.846 123 D CB -0.868 40.052 40.800 0.200 0.000 0.949 123 D HN 0.318 nan 8.370 nan 0.000 0.446 124 L N 1.194 122.591 121.223 0.291 0.000 2.103 124 L HA -0.236 4.101 4.340 -0.005 0.000 0.215 124 L C 1.940 178.881 176.870 0.119 0.000 1.080 124 L CA 1.928 56.847 54.840 0.131 0.000 0.764 124 L CB -0.533 41.526 42.059 -0.001 0.000 0.890 124 L HN 0.120 nan 8.230 nan 0.000 0.435 125 E N -1.468 118.789 120.200 0.094 0.000 2.216 125 E HA 0.007 4.354 4.350 -0.005 0.000 0.192 125 E C 2.025 178.639 176.600 0.024 0.000 0.973 125 E CA 0.630 57.056 56.400 0.042 0.000 0.851 125 E CB 0.233 29.938 29.700 0.007 0.000 0.804 125 E HN 0.570 nan 8.360 nan 0.000 0.477 126 A N -0.197 122.644 122.820 0.035 0.000 2.072 126 A HA -0.059 4.258 4.320 -0.005 0.000 0.216 126 A C 1.032 178.405 177.584 -0.352 0.000 1.156 126 A CA 1.143 53.082 52.037 -0.163 0.000 0.701 126 A CB -0.209 18.654 19.000 -0.228 0.000 0.816 126 A HN 0.232 nan 8.150 nan 0.000 0.458 127 H N -4.113 115.039 119.070 0.137 0.000 2.089 127 H HA 0.246 4.799 4.556 -0.005 0.000 0.206 127 H C 1.381 176.766 175.328 0.094 0.000 0.872 127 H CA 0.298 56.429 56.048 0.139 0.000 0.979 127 H CB -0.390 29.526 29.762 0.256 0.000 1.266 127 H HN 0.284 nan 8.280 nan 0.000 0.389 128 F N 1.746 121.755 119.950 0.098 0.000 2.161 128 F HA -0.157 4.367 4.527 -0.005 0.000 0.300 128 F C 1.781 177.513 175.800 -0.115 0.000 1.089 128 F CA 1.088 59.023 58.000 -0.107 0.000 1.282 128 F CB -0.145 38.634 39.000 -0.368 0.000 1.010 128 F HN -0.056 nan 8.300 nan 0.000 0.485 129 V N 0.629 120.626 119.914 0.138 0.000 2.591 129 V HA -0.118 3.999 4.120 -0.005 0.000 0.249 129 V C -0.623 175.386 176.094 -0.142 0.000 1.053 129 V CA 1.505 63.794 62.300 -0.018 0.000 1.068 129 V CB -1.499 30.305 31.823 -0.033 0.000 0.689 129 V HN 0.180 nan 8.190 nan 0.000 0.462 130 P HA -0.118 nan 4.420 nan 0.000 0.218 130 P C 1.872 179.082 177.300 -0.150 0.000 1.149 130 P CA 0.942 63.971 63.100 -0.118 0.000 0.817 130 P CB 0.020 31.676 31.700 -0.073 0.000 0.785 131 L N -0.150 120.966 121.223 -0.179 0.000 1.970 131 L HA -0.164 4.173 4.340 -0.005 0.000 0.212 131 L C 2.126 178.846 176.870 -0.249 0.000 1.071 131 L CA 2.039 56.738 54.840 -0.235 0.000 0.751 131 L CB -1.367 40.461 42.059 -0.385 0.000 0.889 131 L HN -0.190 nan 8.230 nan 0.000 0.432 132 V N -0.053 119.669 119.914 -0.319 0.000 2.370 132 V HA -0.366 3.751 4.120 -0.005 0.000 0.252 132 V C 2.638 178.613 176.094 -0.198 0.000 1.068 132 V CA 2.383 64.539 62.300 -0.240 0.000 1.061 132 V CB -0.824 30.833 31.823 -0.278 0.000 0.656 132 V HN 0.510 nan 8.190 nan 0.000 0.455 133 K N -0.712 119.519 120.400 -0.282 0.000 2.116 133 K HA -0.030 4.287 4.320 -0.005 0.000 0.203 133 K C 2.394 178.952 176.600 -0.070 0.000 1.052 133 K CA 0.752 56.875 56.287 -0.274 0.000 0.952 133 K CB -0.172 32.084 32.500 -0.407 0.000 0.729 133 K HN 0.389 nan 8.250 nan 0.000 0.446 134 R N 0.871 121.317 120.500 -0.089 0.000 2.073 134 R HA -0.058 4.279 4.340 -0.005 0.000 0.234 134 R C 2.349 178.620 176.300 -0.050 0.000 1.134 134 R CA 1.143 57.205 56.100 -0.063 0.000 0.952 134 R CB -0.395 29.854 30.300 -0.085 0.000 0.850 134 R HN 0.147 nan 8.270 nan 0.000 0.433 135 L N 0.076 121.267 121.223 -0.053 0.000 1.994 135 L HA -0.156 4.181 4.340 -0.005 0.000 0.208 135 L C 2.699 179.589 176.870 0.034 0.000 1.071 135 L CA 1.311 56.139 54.840 -0.020 0.000 0.745 135 L CB -0.651 41.394 42.059 -0.024 0.000 0.892 135 L HN 0.249 nan 8.230 nan 0.000 0.431 136 A N -0.070 122.796 122.820 0.076 0.000 1.978 136 A HA -0.136 4.181 4.320 -0.005 0.000 0.220 136 A C 2.015 179.692 177.584 0.156 0.000 1.170 136 A CA 1.834 53.972 52.037 0.169 0.000 0.636 136 A CB -0.858 18.320 19.000 0.296 0.000 0.810 136 A HN 0.490 nan 8.150 nan 0.000 0.448 137 G N -0.787 108.084 108.800 0.118 0.000 3.502 137 G HA2 0.437 4.394 3.960 -0.005 0.000 0.267 137 G HA3 0.437 4.394 3.960 -0.005 0.000 0.267 137 G C 0.584 175.491 174.900 0.012 0.000 1.090 137 G CA 0.404 45.556 45.100 0.087 0.000 0.795 137 G HN 0.690 nan 8.290 nan 0.000 0.535 138 G N -0.051 108.742 108.800 -0.011 0.000 2.483 138 G HA2 0.274 4.231 3.960 -0.005 0.000 0.248 138 G HA3 0.274 4.231 3.960 -0.005 0.000 0.248 138 G C 0.566 175.412 174.900 -0.090 0.000 1.248 138 G CA -0.274 44.770 45.100 -0.093 0.000 0.838 138 G HN 0.078 nan 8.290 nan 0.000 0.566 139 D N 0.418 120.682 120.400 -0.227 0.000 2.133 139 D HA -0.080 4.557 4.640 -0.005 0.000 0.195 139 D C 0.349 176.680 176.300 0.053 0.000 0.997 139 D CA 1.097 54.999 54.000 -0.163 0.000 0.840 139 D CB 0.106 40.699 40.800 -0.345 0.000 0.947 139 D HN 0.385 nan 8.370 nan 0.000 0.452 140 W N 1.525 122.817 121.300 -0.012 0.000 2.322 140 W HA 0.132 4.789 4.660 -0.005 0.000 0.307 140 W C 1.109 177.606 176.519 -0.036 0.000 1.220 140 W CA -1.421 55.892 57.345 -0.053 0.000 1.210 140 W CB -0.413 28.967 29.460 -0.132 0.000 1.223 140 W HN -0.106 nan 8.180 nan 0.000 0.511 141 F N 0.789 120.863 119.950 0.207 0.000 2.494 141 F HA -0.183 4.341 4.527 -0.005 0.000 0.298 141 F C 1.751 177.599 175.800 0.081 0.000 1.106 141 F CA 1.478 59.537 58.000 0.099 0.000 1.452 141 F CB -1.279 37.752 39.000 0.052 0.000 1.085 141 F HN 0.189 nan 8.300 nan 0.000 0.569 142 T N -2.440 111.862 114.554 -0.421 0.000 2.668 142 T HA -0.185 4.162 4.350 -0.005 0.000 0.262 142 T C 2.178 176.862 174.700 -0.026 0.000 1.045 142 T CA 1.386 63.298 62.100 -0.313 0.000 1.152 142 T CB -1.208 67.454 68.868 -0.343 0.000 0.864 142 T HN 0.382 nan 8.240 nan 0.000 0.419 143 S N 1.381 117.107 115.700 0.042 0.000 2.369 143 S HA -0.227 4.240 4.470 -0.005 0.000 0.225 143 S C 2.358 176.994 174.600 0.061 0.000 1.043 143 S CA 1.719 59.957 58.200 0.064 0.000 1.074 143 S CB -0.502 62.748 63.200 0.083 0.000 0.962 143 S HN 0.525 nan 8.310 nan 0.000 0.433 144 R N -0.202 120.352 120.500 0.089 0.000 2.139 144 R HA -0.063 4.274 4.340 -0.005 0.000 0.243 144 R C 2.502 178.844 176.300 0.069 0.000 1.145 144 R CA 1.841 57.995 56.100 0.089 0.000 0.976 144 R CB -0.722 29.645 30.300 0.112 0.000 0.866 144 R HN 0.394 nan 8.270 nan 0.000 0.449 145 T N -0.507 114.104 114.554 0.095 0.000 2.857 145 T HA -0.055 4.291 4.350 -0.005 0.000 0.266 145 T C 1.726 176.444 174.700 0.030 0.000 1.048 145 T CA 1.504 63.646 62.100 0.070 0.000 1.139 145 T CB -0.020 68.928 68.868 0.132 0.000 0.874 145 T HN 0.221 nan 8.240 nan 0.000 0.455 146 S N 1.134 116.855 115.700 0.035 0.000 2.447 146 S HA 0.078 4.545 4.470 -0.005 0.000 0.233 146 S C 2.420 177.044 174.600 0.040 0.000 1.006 146 S CA 0.679 58.897 58.200 0.029 0.000 0.957 146 S CB -0.292 62.920 63.200 0.020 0.000 0.773 146 S HN 0.563 nan 8.310 nan 0.000 0.507 147 A N 0.679 123.531 122.820 0.054 0.000 1.933 147 A HA -0.153 4.164 4.320 -0.005 0.000 0.218 147 A C 2.311 179.957 177.584 0.103 0.000 1.175 147 A CA 1.360 53.478 52.037 0.135 0.000 0.628 147 A CB -1.314 17.793 19.000 0.178 0.000 0.814 147 A HN 0.603 nan 8.150 nan 0.000 0.444 148 C N -0.980 118.261 119.300 -0.098 0.000 2.403 148 C HA -0.057 4.400 4.460 -0.005 0.000 0.282 148 C C 2.393 177.319 174.990 -0.108 0.000 1.297 148 C CA 0.897 59.749 59.018 -0.276 0.000 1.785 148 C CB -1.442 26.169 27.740 -0.215 0.000 1.963 148 C HN 0.706 nan 8.230 nan 0.000 0.507 149 G N -1.225 107.591 108.800 0.027 0.000 3.523 149 G HA2 0.398 4.355 3.960 -0.005 0.000 0.270 149 G HA3 0.398 4.355 3.960 -0.005 0.000 0.270 149 G C 0.830 175.830 174.900 0.167 0.000 1.134 149 G CA -0.036 45.116 45.100 0.087 0.000 0.825 149 G HN 0.535 nan 8.290 nan 0.000 0.534 150 L N -1.211 120.176 121.223 0.273 0.000 2.966 150 L HA 0.343 4.680 4.340 -0.005 0.000 0.262 150 L C 1.619 178.726 176.870 0.396 0.000 1.165 150 L CA -0.292 54.736 54.840 0.312 0.000 0.978 150 L CB 0.054 42.225 42.059 0.186 0.000 1.337 150 L HN 0.026 nan 8.230 nan 0.000 0.563 151 F N 1.369 121.332 119.950 0.021 0.000 2.022 151 F HA -0.213 4.311 4.527 -0.005 0.000 0.293 151 F C 2.964 178.836 175.800 0.120 0.000 1.142 151 F CA 1.738 59.705 58.000 -0.055 0.000 1.177 151 F CB -1.143 37.522 39.000 -0.560 0.000 0.982 151 F HN 0.105 nan 8.300 nan 0.000 0.473 152 S N 0.318 116.230 115.700 0.353 0.000 2.440 152 S HA -0.169 4.298 4.470 -0.005 0.000 0.240 152 S C 1.983 176.757 174.600 0.291 0.000 1.014 152 S CA 1.272 59.712 58.200 0.399 0.000 0.980 152 S CB -1.460 61.935 63.200 0.324 0.000 0.775 152 S HN 0.315 nan 8.310 nan 0.000 0.499 153 V N 0.105 120.158 119.914 0.231 0.000 3.461 153 V HA 0.184 4.301 4.120 -0.005 0.000 0.267 153 V C 1.549 177.671 176.094 0.047 0.000 1.186 153 V CA 0.638 63.031 62.300 0.155 0.000 1.154 153 V CB -0.907 30.959 31.823 0.071 0.000 0.802 153 V HN 0.954 nan 8.190 nan 0.000 0.474 154 C N -3.181 116.174 119.300 0.092 0.000 3.486 154 C HA 0.442 4.898 4.460 -0.005 0.000 0.264 154 C C 1.586 176.639 174.990 0.104 0.000 1.756 154 C CA -0.178 58.840 59.018 0.001 0.000 1.764 154 C CB -1.517 26.149 27.740 -0.122 0.000 3.238 154 C HN 0.535 nan 8.230 nan 0.000 0.524 155 Y N 3.463 123.816 120.300 0.089 0.000 2.153 155 Y HA 0.177 4.724 4.550 -0.005 0.000 0.289 155 Y C -0.591 175.336 175.900 0.044 0.000 1.127 155 Y CA 1.785 59.947 58.100 0.104 0.000 1.131 155 Y CB -1.265 37.312 38.460 0.196 0.000 0.995 155 Y HN 0.189 nan 8.280 nan 0.000 0.505 156 P HA -0.176 nan 4.420 nan 0.000 0.211 156 P C 0.799 178.047 177.300 -0.087 0.000 1.179 156 P CA 2.309 65.388 63.100 -0.035 0.000 0.910 156 P CB -0.089 31.645 31.700 0.058 0.000 0.785 157 R N -0.450 120.027 120.500 -0.037 0.000 2.416 157 R HA 0.023 4.360 4.340 -0.005 0.000 0.205 157 R C 0.348 176.609 176.300 -0.065 0.000 1.150 157 R CA 0.247 56.322 56.100 -0.043 0.000 1.139 157 R CB -1.261 29.027 30.300 -0.021 0.000 0.861 157 R HN 0.243 nan 8.270 nan 0.000 0.480 158 V N -4.436 115.414 119.914 -0.106 0.000 3.126 158 V HA 0.519 4.636 4.120 -0.005 0.000 0.314 158 V C 0.270 176.292 176.094 -0.121 0.000 1.138 158 V CA -1.414 60.826 62.300 -0.099 0.000 1.034 158 V CB 1.884 33.652 31.823 -0.091 0.000 1.075 158 V HN 0.092 nan 8.190 nan 0.000 0.442 159 S N 0.632 116.281 115.700 -0.084 0.000 2.573 159 S HA 0.133 4.600 4.470 -0.005 0.000 0.277 159 S C 1.072 175.618 174.600 -0.090 0.000 1.346 159 S CA 0.404 58.560 58.200 -0.074 0.000 1.034 159 S CB 0.863 64.036 63.200 -0.045 0.000 0.879 159 S HN 0.973 nan 8.310 nan 0.000 0.528 160 S N 1.900 117.555 115.700 -0.074 0.000 2.419 160 S HA -0.036 4.431 4.470 -0.005 0.000 0.233 160 S C 2.184 176.769 174.600 -0.024 0.000 1.016 160 S CA 0.876 59.038 58.200 -0.064 0.000 0.974 160 S CB -0.887 62.288 63.200 -0.041 0.000 0.786 160 S HN 0.899 nan 8.310 nan 0.000 0.492 161 A N 1.265 124.077 122.820 -0.015 0.000 1.877 161 A HA -0.033 4.284 4.320 -0.005 0.000 0.216 161 A C 2.316 179.914 177.584 0.022 0.000 1.186 161 A CA 1.445 53.488 52.037 0.009 0.000 0.620 161 A CB -0.885 18.118 19.000 0.005 0.000 0.822 161 A HN 0.335 nan 8.150 nan 0.000 0.443 162 V N 0.234 120.146 119.914 -0.003 0.000 2.223 162 V HA -0.312 3.805 4.120 -0.005 0.000 0.244 162 V C 2.396 178.507 176.094 0.028 0.000 1.045 162 V CA 2.476 64.775 62.300 -0.001 0.000 1.000 162 V CB -0.862 30.938 31.823 -0.039 0.000 0.635 162 V HN 0.577 nan 8.190 nan 0.000 0.445 163 K N 0.418 120.797 120.400 -0.036 0.000 2.189 163 K HA -0.273 4.044 4.320 -0.005 0.000 0.207 163 K C 2.182 178.908 176.600 0.211 0.000 1.046 163 K CA 1.716 58.005 56.287 0.005 0.000 0.928 163 K CB -0.552 31.770 32.500 -0.297 0.000 0.720 163 K HN 0.530 nan 8.250 nan 0.000 0.458 164 A N 1.595 124.492 122.820 0.129 0.000 1.877 164 A HA -0.237 4.080 4.320 -0.005 0.000 0.216 164 A C 1.951 179.655 177.584 0.200 0.000 1.186 164 A CA 1.675 53.802 52.037 0.150 0.000 0.620 164 A CB -0.388 18.669 19.000 0.094 0.000 0.822 164 A HN 0.365 nan 8.150 nan 0.000 0.443 165 E N 0.236 120.556 120.200 0.199 0.000 2.017 165 E HA -0.173 4.174 4.350 -0.005 0.000 0.193 165 E C 2.013 178.877 176.600 0.441 0.000 0.997 165 E CA 1.288 57.875 56.400 0.312 0.000 0.804 165 E CB -0.486 29.371 29.700 0.262 0.000 0.757 165 E HN 0.599 nan 8.360 nan 0.000 0.448 166 L N 0.805 122.186 121.223 0.263 0.000 2.021 166 L HA -0.247 4.090 4.340 -0.005 0.000 0.215 166 L C 2.691 179.846 176.870 0.476 0.000 1.074 166 L CA 1.518 56.477 54.840 0.197 0.000 0.760 166 L CB -0.680 41.490 42.059 0.185 0.000 0.889 166 L HN 0.121 nan 8.230 nan 0.000 0.433 167 R N -0.472 120.316 120.500 0.481 0.000 2.127 167 R HA -0.219 4.117 4.340 -0.005 0.000 0.238 167 R C 2.314 178.867 176.300 0.421 0.000 1.134 167 R CA 1.395 57.775 56.100 0.466 0.000 0.975 167 R CB -0.267 30.223 30.300 0.316 0.000 0.865 167 R HN 0.317 nan 8.270 nan 0.000 0.447 168 Q N 0.234 120.238 119.800 0.339 0.000 1.990 168 Q HA -0.155 4.182 4.340 -0.005 0.000 0.200 168 Q C 1.638 177.746 176.000 0.181 0.000 0.980 168 Q CA 1.786 57.700 55.803 0.185 0.000 0.832 168 Q CB -0.501 28.263 28.738 0.044 0.000 0.897 168 Q HN 0.320 nan 8.270 nan 0.000 0.427 169 Y N -0.483 119.969 120.300 0.252 0.000 2.081 169 Y HA -0.256 4.290 4.550 -0.005 0.000 0.280 169 Y C 2.117 178.248 175.900 0.385 0.000 1.163 169 Y CA 1.706 59.981 58.100 0.292 0.000 1.135 169 Y CB -0.876 37.755 38.460 0.286 0.000 0.970 169 Y HN 0.210 nan 8.280 nan 0.000 0.498 170 F N 0.665 120.994 119.950 0.631 0.000 2.065 170 F HA -0.290 4.233 4.527 -0.005 0.000 0.298 170 F C 2.735 178.599 175.800 0.107 0.000 1.112 170 F CA 1.967 60.110 58.000 0.239 0.000 1.212 170 F CB -0.414 38.724 39.000 0.231 0.000 0.975 170 F HN -0.115 nan 8.300 nan 0.000 0.476 171 R N 0.541 121.246 120.500 0.342 0.000 2.127 171 R HA -0.212 4.125 4.340 -0.005 0.000 0.238 171 R C 1.915 178.234 176.300 0.031 0.000 1.134 171 R CA 2.037 58.239 56.100 0.170 0.000 0.975 171 R CB -0.685 29.725 30.300 0.183 0.000 0.865 171 R HN 0.508 nan 8.270 nan 0.000 0.447 172 N N 0.101 118.824 118.700 0.039 0.000 2.062 172 N HA -0.144 4.593 4.740 -0.005 0.000 0.191 172 N C 1.939 177.416 175.510 -0.055 0.000 1.042 172 N CA 1.223 54.266 53.050 -0.012 0.000 0.845 172 N CB -0.144 38.334 38.487 -0.015 0.000 1.024 172 N HN 0.130 nan 8.380 nan 0.000 0.424 173 L N 0.652 121.822 121.223 -0.088 0.000 2.127 173 L HA -0.215 4.122 4.340 -0.005 0.000 0.211 173 L C 2.189 178.912 176.870 -0.246 0.000 1.089 173 L CA 0.748 55.481 54.840 -0.179 0.000 0.757 173 L CB -0.545 41.329 42.059 -0.309 0.000 0.899 173 L HN 0.421 nan 8.230 nan 0.000 0.434 174 C N -1.033 118.088 119.300 -0.298 0.000 2.437 174 C HA -0.072 4.385 4.460 -0.005 0.000 0.283 174 C C 2.268 177.181 174.990 -0.129 0.000 1.424 174 C CA 0.708 59.580 59.018 -0.243 0.000 1.782 174 C CB -0.728 26.891 27.740 -0.201 0.000 1.833 174 C HN 0.398 nan 8.230 nan 0.000 0.532 175 S N -0.384 115.259 115.700 -0.095 0.000 2.651 175 S HA 0.092 4.559 4.470 -0.005 0.000 0.246 175 S C -0.217 174.347 174.600 -0.060 0.000 1.039 175 S CA -0.298 57.864 58.200 -0.064 0.000 1.013 175 S CB -0.170 63.007 63.200 -0.040 0.000 0.861 175 S HN 0.661 nan 8.310 nan 0.000 0.485 176 D N 1.705 122.060 120.400 -0.074 0.000 2.423 176 D HA 0.063 4.700 4.640 -0.005 0.000 0.238 176 D C 0.484 176.750 176.300 -0.057 0.000 1.142 176 D CA 0.177 54.143 54.000 -0.056 0.000 0.884 176 D CB 0.769 41.532 40.800 -0.061 0.000 1.199 176 D HN 0.059 nan 8.370 nan 0.000 0.438 177 D N 0.600 120.975 120.400 -0.041 0.000 2.263 177 D HA -0.050 4.587 4.640 -0.005 0.000 0.208 177 D C 0.216 176.469 176.300 -0.079 0.000 0.971 177 D CA 0.926 54.897 54.000 -0.047 0.000 0.867 177 D CB -0.049 40.735 40.800 -0.026 0.000 0.929 177 D HN 0.206 nan 8.370 nan 0.000 0.492 178 T N 1.034 115.529 114.554 -0.099 0.000 2.799 178 T HA 0.200 4.547 4.350 -0.005 0.000 0.286 178 T C -1.885 172.704 174.700 -0.185 0.000 0.973 178 T CA -1.529 60.459 62.100 -0.186 0.000 1.035 178 T CB 2.076 70.778 68.868 -0.276 0.000 0.932 178 T HN -0.179 nan 8.240 nan 0.000 0.469 179 P HA -0.042 nan 4.420 nan 0.000 0.222 179 P C 1.563 178.765 177.300 -0.163 0.000 1.147 179 P CA 0.517 63.521 63.100 -0.160 0.000 0.790 179 P CB 0.114 31.724 31.700 -0.150 0.000 0.780 180 M N -0.496 118.960 119.600 -0.240 0.000 2.126 180 M HA -0.164 4.313 4.480 -0.005 0.000 0.259 180 M C 1.784 178.046 176.300 -0.063 0.000 1.073 180 M CA 2.092 57.299 55.300 -0.155 0.000 1.103 180 M CB -1.118 31.337 32.600 -0.242 0.000 1.284 180 M HN -0.281 nan 8.290 nan 0.000 0.420 181 V N 0.971 120.857 119.914 -0.045 0.000 2.252 181 V HA -0.353 3.764 4.120 -0.005 0.000 0.249 181 V C 2.480 178.511 176.094 -0.105 0.000 1.056 181 V CA 2.425 64.701 62.300 -0.038 0.000 1.022 181 V CB -1.130 30.681 31.823 -0.020 0.000 0.641 181 V HN 0.502 nan 8.190 nan 0.000 0.445 182 R N -0.393 120.038 120.500 -0.116 0.000 2.096 182 R HA -0.206 4.131 4.340 -0.005 0.000 0.240 182 R C 2.541 178.771 176.300 -0.116 0.000 1.139 182 R CA 1.861 57.883 56.100 -0.130 0.000 0.952 182 R CB -0.472 29.760 30.300 -0.113 0.000 0.854 182 R HN 0.509 nan 8.270 nan 0.000 0.436 183 R N 0.190 120.634 120.500 -0.093 0.000 2.070 183 R HA -0.109 4.228 4.340 -0.005 0.000 0.233 183 R C 2.437 178.699 176.300 -0.063 0.000 1.137 183 R CA 1.383 57.441 56.100 -0.070 0.000 0.945 183 R CB -0.508 29.758 30.300 -0.057 0.000 0.845 183 R HN 0.229 nan 8.270 nan 0.000 0.430 184 A N 1.408 124.190 122.820 -0.063 0.000 1.881 184 A HA -0.289 4.028 4.320 -0.005 0.000 0.219 184 A C 2.377 179.901 177.584 -0.099 0.000 1.215 184 A CA 2.338 54.339 52.037 -0.060 0.000 0.648 184 A CB -1.099 17.868 19.000 -0.055 0.000 0.832 184 A HN 0.479 nan 8.150 nan 0.000 0.455 185 A N -0.318 122.387 122.820 -0.193 0.000 1.852 185 A HA 0.030 4.347 4.320 -0.005 0.000 0.217 185 A C 2.557 180.069 177.584 -0.119 0.000 1.215 185 A CA 3.045 54.886 52.037 -0.326 0.000 0.641 185 A CB -1.455 17.251 19.000 -0.490 0.000 0.838 185 A HN 1.509 nan 8.150 nan 0.000 0.450 186 A N -0.326 122.444 122.820 -0.083 0.000 2.204 186 A HA -0.090 4.227 4.320 -0.005 0.000 0.220 186 A C 2.279 179.895 177.584 0.053 0.000 1.165 186 A CA 2.447 54.488 52.037 0.006 0.000 0.671 186 A CB -0.813 18.169 19.000 -0.030 0.000 0.792 186 A HN 1.148 nan 8.150 nan 0.000 0.473 187 S N -1.978 113.743 115.700 0.035 0.000 2.492 187 S HA 0.117 4.584 4.470 -0.005 0.000 0.218 187 S C 1.497 176.147 174.600 0.085 0.000 1.016 187 S CA 0.349 58.581 58.200 0.053 0.000 0.916 187 S CB 0.103 63.319 63.200 0.027 0.000 0.791 187 S HN 0.350 nan 8.310 nan 0.000 0.513 188 K N 0.915 121.379 120.400 0.108 0.000 2.379 188 K HA 0.380 4.697 4.320 -0.005 0.000 0.194 188 K C 1.555 178.291 176.600 0.226 0.000 1.031 188 K CA -0.060 56.312 56.287 0.142 0.000 1.037 188 K CB -0.653 31.912 32.500 0.109 0.000 0.824 188 K HN 0.274 nan 8.250 nan 0.000 0.516 189 L N 1.231 122.637 121.223 0.306 0.000 2.021 189 L HA -0.200 4.137 4.340 -0.005 0.000 0.215 189 L C 2.071 179.058 176.870 0.196 0.000 1.074 189 L CA 2.344 57.390 54.840 0.343 0.000 0.760 189 L CB -1.089 41.161 42.059 0.318 0.000 0.889 189 L HN 0.296 nan 8.230 nan 0.000 0.433 190 G N -0.712 108.178 108.800 0.151 0.000 2.514 190 G HA2 -0.357 3.600 3.960 -0.005 0.000 0.217 190 G HA3 -0.357 3.600 3.960 -0.005 0.000 0.217 190 G C 1.284 176.231 174.900 0.077 0.000 1.198 190 G CA 0.916 46.072 45.100 0.093 0.000 0.780 190 G HN 0.683 nan 8.290 nan 0.000 0.565 191 E N -0.965 119.297 120.200 0.102 0.000 2.409 191 E HA -0.035 4.312 4.350 -0.005 0.000 0.198 191 E C 2.015 178.700 176.600 0.141 0.000 1.024 191 E CA 0.506 56.968 56.400 0.103 0.000 0.861 191 E CB -0.252 29.516 29.700 0.113 0.000 0.788 191 E HN 0.393 nan 8.360 nan 0.000 0.521 192 F N 1.945 121.840 119.950 -0.091 0.000 2.147 192 F HA 0.283 4.807 4.527 -0.005 0.000 0.291 192 F C 2.420 178.073 175.800 -0.245 0.000 1.093 192 F CA 0.688 58.553 58.000 -0.225 0.000 1.263 192 F CB -0.724 37.985 39.000 -0.486 0.000 1.036 192 F HN 0.081 nan 8.300 nan 0.000 0.481 193 A N 0.033 122.723 122.820 -0.216 0.000 1.986 193 A HA -0.281 4.036 4.320 -0.005 0.000 0.220 193 A C 2.010 179.453 177.584 -0.234 0.000 1.171 193 A CA 1.942 53.804 52.037 -0.292 0.000 0.640 193 A CB -0.853 18.061 19.000 -0.143 0.000 0.811 193 A HN 0.276 nan 8.150 nan 0.000 0.451 194 K N 0.104 120.427 120.400 -0.128 0.000 2.616 194 K HA -0.006 4.311 4.320 -0.005 0.000 0.192 194 K C 0.890 177.447 176.600 -0.071 0.000 1.031 194 K CA 1.227 57.469 56.287 -0.074 0.000 1.004 194 K CB -0.400 32.091 32.500 -0.015 0.000 0.810 194 K HN 0.591 nan 8.250 nan 0.000 0.497 195 V N -3.005 116.815 119.914 -0.157 0.000 3.382 195 V HA 0.386 4.503 4.120 -0.005 0.000 0.296 195 V C 0.073 176.089 176.094 -0.129 0.000 1.529 195 V CA -0.637 61.623 62.300 -0.068 0.000 1.048 195 V CB -0.280 31.572 31.823 0.049 0.000 0.878 195 V HN -0.080 nan 8.190 nan 0.000 0.442 196 L N 2.314 123.324 121.223 -0.354 0.000 2.360 196 L HA 0.605 4.942 4.340 -0.005 0.000 0.271 196 L C 0.214 177.022 176.870 -0.104 0.000 1.057 196 L CA -0.647 53.995 54.840 -0.330 0.000 0.803 196 L CB 1.485 43.194 42.059 -0.583 0.000 1.207 196 L HN 0.301 nan 8.230 nan 0.000 0.445 197 E N 2.907 123.103 120.200 -0.007 0.000 2.289 197 E HA 0.022 4.369 4.350 -0.005 0.000 0.278 197 E C 0.813 177.390 176.600 -0.038 0.000 1.032 197 E CA -0.407 55.990 56.400 -0.006 0.000 0.854 197 E CB 1.514 31.229 29.700 0.026 0.000 1.046 197 E HN 0.635 nan 8.360 nan 0.000 0.409 198 L N 2.244 123.442 121.223 -0.042 0.000 2.256 198 L HA -0.358 3.979 4.340 -0.005 0.000 0.218 198 L C 1.585 178.433 176.870 -0.037 0.000 1.089 198 L CA 2.490 57.302 54.840 -0.047 0.000 0.777 198 L CB -0.247 41.790 42.059 -0.037 0.000 0.890 198 L HN 0.618 nan 8.230 nan 0.000 0.439 199 D N -0.907 119.480 120.400 -0.022 0.000 2.078 199 D HA -0.234 4.403 4.640 -0.005 0.000 0.193 199 D C 1.551 177.843 176.300 -0.014 0.000 0.990 199 D CA 1.736 55.729 54.000 -0.011 0.000 0.827 199 D CB -0.840 39.960 40.800 0.001 0.000 0.975 199 D HN 0.428 nan 8.370 nan 0.000 0.451 200 N N 0.687 119.377 118.700 -0.017 0.000 2.188 200 N HA -0.081 4.656 4.740 -0.005 0.000 0.184 200 N C 2.149 177.623 175.510 -0.059 0.000 1.018 200 N CA 0.569 53.604 53.050 -0.024 0.000 0.858 200 N CB -0.452 38.019 38.487 -0.027 0.000 0.989 200 N HN 0.117 nan 8.380 nan 0.000 0.426 201 V N 1.153 121.009 119.914 -0.096 0.000 2.982 201 V HA -0.172 3.945 4.120 -0.005 0.000 0.265 201 V C 1.826 177.879 176.094 -0.069 0.000 1.122 201 V CA 1.518 63.751 62.300 -0.113 0.000 1.143 201 V CB -0.413 31.335 31.823 -0.125 0.000 0.726 201 V HN 0.312 nan 8.190 nan 0.000 0.507 202 K N -0.562 119.813 120.400 -0.042 0.000 2.399 202 K HA 0.071 4.388 4.320 -0.005 0.000 0.196 202 K C 2.138 178.739 176.600 0.001 0.000 1.103 202 K CA 0.830 57.102 56.287 -0.024 0.000 0.986 202 K CB 0.407 32.893 32.500 -0.024 0.000 0.952 202 K HN 0.578 nan 8.250 nan 0.000 0.541 203 S N -0.132 115.572 115.700 0.007 0.000 2.483 203 S HA 0.096 4.563 4.470 -0.005 0.000 0.221 203 S C 1.486 176.113 174.600 0.046 0.000 1.030 203 S CA 0.332 58.548 58.200 0.026 0.000 0.925 203 S CB 0.260 63.475 63.200 0.025 0.000 0.795 203 S HN 0.041 nan 8.310 nan 0.000 0.511 204 E N 1.047 121.273 120.200 0.045 0.000 2.307 204 E HA 0.382 4.729 4.350 -0.005 0.000 0.192 204 E C 1.889 178.554 176.600 0.108 0.000 0.967 204 E CA 0.133 56.584 56.400 0.084 0.000 1.042 204 E CB -0.308 29.444 29.700 0.087 0.000 1.126 204 E HN 0.184 nan 8.360 nan 0.000 0.484 205 I N 1.756 122.364 120.570 0.062 0.000 2.236 205 I HA -0.253 3.914 4.170 -0.005 0.000 0.249 205 I C 1.959 178.155 176.117 0.131 0.000 1.102 205 I CA 1.265 62.618 61.300 0.089 0.000 1.365 205 I CB -0.875 37.111 38.000 -0.024 0.000 1.051 205 I HN 0.206 nan 8.210 nan 0.000 0.420 206 I N 0.839 121.458 120.570 0.082 0.000 2.233 206 I HA -0.111 4.056 4.170 -0.005 0.000 0.243 206 I C -0.018 176.220 176.117 0.202 0.000 1.093 206 I CA 1.352 62.721 61.300 0.116 0.000 1.380 206 I CB -2.662 35.362 38.000 0.040 0.000 1.067 206 I HN 0.120 nan 8.210 nan 0.000 0.413 207 P HA -0.104 nan 4.420 nan 0.000 0.216 207 P C 2.103 179.479 177.300 0.126 0.000 1.150 207 P CA 1.549 64.721 63.100 0.119 0.000 0.837 207 P CB -0.006 31.747 31.700 0.089 0.000 0.786 208 M N -2.957 116.738 119.600 0.158 0.000 2.334 208 M HA 0.014 4.491 4.480 -0.005 0.000 0.266 208 M C 1.860 178.245 176.300 0.143 0.000 1.082 208 M CA 1.125 56.508 55.300 0.138 0.000 1.141 208 M CB -0.587 32.116 32.600 0.172 0.000 1.380 208 M HN -0.088 nan 8.290 nan 0.000 0.440 209 F N 0.375 120.364 119.950 0.064 0.000 2.365 209 F HA -0.086 4.438 4.527 -0.005 0.000 0.300 209 F C 2.340 178.157 175.800 0.028 0.000 1.090 209 F CA 1.363 59.393 58.000 0.050 0.000 1.408 209 F CB -0.274 38.754 39.000 0.047 0.000 1.060 209 F HN 0.014 nan 8.300 nan 0.000 0.534 210 S N 0.118 115.849 115.700 0.053 0.000 2.406 210 S HA -0.107 4.360 4.470 -0.005 0.000 0.224 210 S C 1.921 176.457 174.600 -0.107 0.000 1.030 210 S CA 1.074 59.245 58.200 -0.050 0.000 0.958 210 S CB -0.503 62.760 63.200 0.105 0.000 0.811 210 S HN 0.549 nan 8.310 nan 0.000 0.489 211 N N 1.292 119.961 118.700 -0.051 0.000 2.092 211 N HA 0.022 4.759 4.740 -0.005 0.000 0.189 211 N C 1.900 177.353 175.510 -0.094 0.000 1.040 211 N CA 1.434 54.451 53.050 -0.055 0.000 0.845 211 N CB -0.468 38.006 38.487 -0.021 0.000 1.017 211 N HN 0.357 nan 8.380 nan 0.000 0.426 212 L N 1.351 122.513 121.223 -0.102 0.000 2.013 212 L HA -0.155 4.182 4.340 -0.005 0.000 0.212 212 L C 2.373 179.145 176.870 -0.165 0.000 1.073 212 L CA 1.233 56.002 54.840 -0.118 0.000 0.753 212 L CB -0.652 41.348 42.059 -0.098 0.000 0.890 212 L HN 0.131 nan 8.230 nan 0.000 0.432 213 A N -0.453 122.205 122.820 -0.270 0.000 2.272 213 A HA -0.101 4.216 4.320 -0.005 0.000 0.213 213 A C 1.530 178.995 177.584 -0.198 0.000 1.183 213 A CA 1.495 53.344 52.037 -0.313 0.000 0.719 213 A CB -0.509 18.129 19.000 -0.604 0.000 0.771 213 A HN 0.536 nan 8.150 nan 0.000 0.484 214 S N -1.044 114.567 115.700 -0.149 0.000 2.794 214 S HA 0.222 4.689 4.470 -0.005 0.000 0.244 214 S C -0.515 174.037 174.600 -0.080 0.000 1.045 214 S CA -0.646 57.494 58.200 -0.099 0.000 1.114 214 S CB 0.017 63.169 63.200 -0.079 0.000 1.085 214 S HN 0.371 nan 8.310 nan 0.000 0.488 215 D N 1.854 122.201 120.400 -0.088 0.000 2.358 215 D HA 0.109 4.745 4.640 -0.005 0.000 0.244 215 D C 0.987 177.248 176.300 -0.066 0.000 1.163 215 D CA -0.135 53.819 54.000 -0.076 0.000 0.945 215 D CB 1.296 42.046 40.800 -0.084 0.000 1.152 215 D HN 0.462 nan 8.370 nan 0.000 0.451 216 E N 0.823 120.987 120.200 -0.059 0.000 2.208 216 E HA -0.188 4.159 4.350 -0.005 0.000 0.193 216 E C -0.000 176.566 176.600 -0.057 0.000 0.988 216 E CA 0.485 56.854 56.400 -0.052 0.000 0.828 216 E CB 0.235 29.907 29.700 -0.047 0.000 0.763 216 E HN 0.189 nan 8.360 nan 0.000 0.478 217 Q N 1.437 121.197 119.800 -0.066 0.000 2.377 217 Q HA 0.062 4.399 4.340 -0.005 0.000 0.249 217 Q C -0.475 175.479 176.000 -0.077 0.000 1.005 217 Q CA -0.019 55.741 55.803 -0.071 0.000 0.912 217 Q CB 1.319 30.011 28.738 -0.078 0.000 1.223 217 Q HN 0.142 nan 8.270 nan 0.000 0.459 218 D N 0.604 120.958 120.400 -0.077 0.000 2.170 218 D HA -0.246 4.391 4.640 -0.005 0.000 0.193 218 D C 1.192 177.433 176.300 -0.098 0.000 1.004 218 D CA 2.140 56.084 54.000 -0.093 0.000 0.860 218 D CB 0.093 40.832 40.800 -0.102 0.000 0.931 218 D HN 0.587 nan 8.370 nan 0.000 0.448 219 S N -0.161 115.487 115.700 -0.088 0.000 2.374 219 S HA -0.163 4.304 4.470 -0.005 0.000 0.227 219 S C 2.279 176.832 174.600 -0.077 0.000 1.037 219 S CA 1.073 59.224 58.200 -0.081 0.000 1.024 219 S CB -0.614 62.542 63.200 -0.073 0.000 0.861 219 S HN 0.145 nan 8.310 nan 0.000 0.456 220 V N 2.380 122.245 119.914 -0.081 0.000 2.379 220 V HA -0.113 4.004 4.120 -0.005 0.000 0.245 220 V C 2.654 178.696 176.094 -0.087 0.000 1.044 220 V CA 1.467 63.718 62.300 -0.082 0.000 1.036 220 V CB -0.673 31.098 31.823 -0.087 0.000 0.664 220 V HN 0.400 nan 8.190 nan 0.000 0.453 221 R N 0.678 121.121 120.500 -0.096 0.000 2.088 221 R HA -0.140 4.197 4.340 -0.005 0.000 0.232 221 R C 2.320 178.562 176.300 -0.096 0.000 1.136 221 R CA 1.823 57.858 56.100 -0.109 0.000 0.926 221 R CB -0.901 29.335 30.300 -0.106 0.000 0.837 221 R HN 0.401 nan 8.270 nan 0.000 0.429 222 L N 0.683 121.853 121.223 -0.088 0.000 2.137 222 L HA -0.190 4.147 4.340 -0.005 0.000 0.213 222 L C 2.348 179.194 176.870 -0.040 0.000 1.085 222 L CA 1.752 56.551 54.840 -0.067 0.000 0.760 222 L CB -1.539 40.472 42.059 -0.079 0.000 0.893 222 L HN 0.220 nan 8.230 nan 0.000 0.434 223 L N 0.203 121.401 121.223 -0.043 0.000 2.131 223 L HA -0.137 4.200 4.340 -0.005 0.000 0.210 223 L C 2.951 179.823 176.870 0.003 0.000 1.092 223 L CA 1.094 55.924 54.840 -0.017 0.000 0.759 223 L CB -0.398 41.647 42.059 -0.024 0.000 0.903 223 L HN 0.339 nan 8.230 nan 0.000 0.435 224 A N -0.382 122.418 122.820 -0.033 0.000 1.832 224 A HA -0.163 4.154 4.320 -0.005 0.000 0.214 224 A C 2.150 179.754 177.584 0.033 0.000 1.200 224 A CA 1.663 53.677 52.037 -0.039 0.000 0.610 224 A CB -1.000 17.871 19.000 -0.214 0.000 0.842 224 A HN 0.159 nan 8.150 nan 0.000 0.444 225 V N 1.627 121.527 119.914 -0.023 0.000 2.736 225 V HA -0.343 3.774 4.120 -0.005 0.000 0.262 225 V C 2.470 178.626 176.094 0.104 0.000 1.114 225 V CA 2.594 64.925 62.300 0.052 0.000 1.133 225 V CB -1.493 30.333 31.823 0.005 0.000 0.703 225 V HN 0.914 nan 8.190 nan 0.000 0.495 226 E N 2.161 122.412 120.200 0.085 0.000 2.046 226 E HA -0.077 4.270 4.350 -0.005 0.000 0.190 226 E C 2.053 178.720 176.600 0.112 0.000 0.982 226 E CA 1.560 58.010 56.400 0.084 0.000 0.800 226 E CB -0.924 28.814 29.700 0.062 0.000 0.756 226 E HN 0.396 nan 8.360 nan 0.000 0.449 227 A N 0.912 123.824 122.820 0.152 0.000 2.076 227 A HA -0.174 4.142 4.320 -0.005 0.000 0.220 227 A C 2.425 180.099 177.584 0.150 0.000 1.160 227 A CA 1.284 53.419 52.037 0.163 0.000 0.653 227 A CB -1.405 17.731 19.000 0.227 0.000 0.801 227 A HN 0.573 nan 8.150 nan 0.000 0.455 228 C N -1.048 118.407 119.300 0.258 0.000 2.303 228 C HA -0.234 4.223 4.460 -0.005 0.000 0.273 228 C C 2.561 177.552 174.990 0.002 0.000 1.154 228 C CA 1.851 60.974 59.018 0.174 0.000 1.784 228 C CB -1.487 26.391 27.740 0.230 0.000 1.993 228 C HN 0.477 nan 8.230 nan 0.000 0.430 229 V N 1.445 121.377 119.914 0.029 0.000 2.231 229 V HA -0.262 3.855 4.120 -0.005 0.000 0.250 229 V C 2.302 178.385 176.094 -0.019 0.000 1.058 229 V CA 2.787 65.086 62.300 -0.001 0.000 1.022 229 V CB -1.028 30.805 31.823 0.016 0.000 0.640 229 V HN 0.611 nan 8.190 nan 0.000 0.445 230 N N -0.246 118.453 118.700 -0.001 0.000 2.094 230 N HA -0.163 4.574 4.740 -0.005 0.000 0.191 230 N C 1.640 177.120 175.510 -0.050 0.000 1.023 230 N CA 1.730 54.773 53.050 -0.011 0.000 0.857 230 N CB -0.378 38.118 38.487 0.015 0.000 1.013 230 N HN 0.473 nan 8.380 nan 0.000 0.426 231 I N 0.352 120.868 120.570 -0.090 0.000 2.113 231 I HA -0.295 3.872 4.170 -0.005 0.000 0.238 231 I C 2.192 178.210 176.117 -0.165 0.000 1.070 231 I CA 1.182 62.379 61.300 -0.172 0.000 1.332 231 I CB -0.436 37.342 38.000 -0.370 0.000 1.044 231 I HN 0.131 nan 8.210 nan 0.000 0.402 232 A N 0.172 122.895 122.820 -0.161 0.000 1.958 232 A HA -0.265 4.052 4.320 -0.005 0.000 0.221 232 A C 1.884 179.418 177.584 -0.083 0.000 1.178 232 A CA 1.596 53.560 52.037 -0.121 0.000 0.642 232 A CB -0.725 18.220 19.000 -0.093 0.000 0.816 232 A HN 0.603 nan 8.150 nan 0.000 0.453 233 Q N -1.014 118.747 119.800 -0.066 0.000 2.259 233 Q HA 0.393 4.730 4.340 -0.005 0.000 0.228 233 Q C 0.064 176.034 176.000 -0.050 0.000 0.909 233 Q CA 0.048 55.823 55.803 -0.048 0.000 0.948 233 Q CB -0.044 28.674 28.738 -0.033 0.000 1.041 233 Q HN 0.634 nan 8.270 nan 0.000 0.445 234 L N -0.059 121.125 121.223 -0.065 0.000 3.520 234 L HA 0.326 4.663 4.340 -0.005 0.000 0.323 234 L C -0.628 176.202 176.870 -0.067 0.000 1.246 234 L CA 0.114 54.915 54.840 -0.065 0.000 1.085 234 L CB 0.836 42.848 42.059 -0.078 0.000 1.477 234 L HN 0.179 nan 8.230 nan 0.000 0.624 235 L N 0.777 121.960 121.223 -0.066 0.000 2.388 235 L HA 0.570 4.907 4.340 -0.005 0.000 0.264 235 L C -2.439 174.402 176.870 -0.048 0.000 0.998 235 L CA -1.736 53.067 54.840 -0.061 0.000 0.817 235 L CB 2.420 44.434 42.059 -0.075 0.000 1.338 235 L HN -0.203 nan 8.230 nan 0.000 0.414 236 P HA 0.030 nan 4.420 nan 0.000 0.281 236 P C 0.113 177.395 177.300 -0.031 0.000 1.252 236 P CA -0.288 62.794 63.100 -0.031 0.000 0.778 236 P CB 1.309 32.993 31.700 -0.026 0.000 0.895 237 Q N 2.616 122.399 119.800 -0.029 0.000 2.318 237 Q HA -0.276 4.061 4.340 -0.005 0.000 0.216 237 Q C 1.124 177.110 176.000 -0.024 0.000 1.004 237 Q CA 2.349 58.136 55.803 -0.027 0.000 0.932 237 Q CB -0.037 28.687 28.738 -0.023 0.000 0.946 237 Q HN 0.527 nan 8.270 nan 0.000 0.419 238 E N 0.550 120.737 120.200 -0.021 0.000 2.031 238 E HA -0.172 4.175 4.350 -0.005 0.000 0.193 238 E C 1.761 178.351 176.600 -0.017 0.000 0.994 238 E CA 1.540 57.930 56.400 -0.017 0.000 0.800 238 E CB -0.298 29.394 29.700 -0.014 0.000 0.752 238 E HN 0.501 nan 8.360 nan 0.000 0.447 239 D N 1.332 121.719 120.400 -0.022 0.000 2.158 239 D HA -0.208 4.429 4.640 -0.005 0.000 0.197 239 D C 2.036 178.321 176.300 -0.024 0.000 0.995 239 D CA 0.980 54.966 54.000 -0.023 0.000 0.846 239 D CB -0.346 40.435 40.800 -0.032 0.000 0.941 239 D HN 0.160 nan 8.370 nan 0.000 0.456 240 L N 0.811 122.015 121.223 -0.031 0.000 2.021 240 L HA -0.316 4.021 4.340 -0.005 0.000 0.241 240 L C 2.573 179.435 176.870 -0.014 0.000 1.101 240 L CA 1.875 56.696 54.840 -0.031 0.000 0.830 240 L CB -1.077 40.964 42.059 -0.030 0.000 0.924 240 L HN 0.028 nan 8.230 nan 0.000 0.444 241 E N -0.053 120.143 120.200 -0.006 0.000 2.312 241 E HA -0.288 4.059 4.350 -0.005 0.000 0.209 241 E C 1.596 178.204 176.600 0.012 0.000 1.047 241 E CA 1.998 58.401 56.400 0.006 0.000 0.840 241 E CB -0.095 29.608 29.700 0.005 0.000 0.738 241 E HN 0.538 nan 8.360 nan 0.000 0.478 242 A N -1.492 121.333 122.820 0.008 0.000 2.108 242 A HA 0.267 4.584 4.320 -0.005 0.000 0.206 242 A C 1.909 179.506 177.584 0.022 0.000 1.212 242 A CA 0.233 52.279 52.037 0.015 0.000 0.843 242 A CB 0.202 19.208 19.000 0.010 0.000 0.902 242 A HN 0.234 nan 8.150 nan 0.000 0.477 243 L N -1.465 119.764 121.223 0.010 0.000 2.347 243 L HA 0.087 4.424 4.340 -0.005 0.000 0.196 243 L C 2.263 179.145 176.870 0.019 0.000 1.072 243 L CA 0.491 55.337 54.840 0.010 0.000 0.817 243 L CB -0.559 41.483 42.059 -0.027 0.000 1.029 243 L HN 0.156 nan 8.230 nan 0.000 0.478 244 V N -0.124 119.775 119.914 -0.026 0.000 2.249 244 V HA -0.189 3.928 4.120 -0.005 0.000 0.239 244 V C 2.537 178.677 176.094 0.077 0.000 1.038 244 V CA 1.248 63.529 62.300 -0.032 0.000 1.005 244 V CB -0.296 31.467 31.823 -0.100 0.000 0.646 244 V HN 0.302 nan 8.190 nan 0.000 0.455 245 M N -0.373 119.252 119.600 0.043 0.000 2.255 245 M HA -0.159 4.318 4.480 -0.005 0.000 0.259 245 M C -0.097 176.247 176.300 0.073 0.000 1.071 245 M CA 2.015 57.348 55.300 0.055 0.000 1.074 245 M CB -2.577 30.042 32.600 0.032 0.000 1.384 245 M HN 0.296 nan 8.290 nan 0.000 0.415 246 P HA -0.068 nan 4.420 nan 0.000 0.217 246 P C 1.646 178.996 177.300 0.083 0.000 1.150 246 P CA 1.301 64.445 63.100 0.072 0.000 0.832 246 P CB -0.138 31.603 31.700 0.068 0.000 0.787 247 T N 0.325 114.961 114.554 0.137 0.000 2.639 247 T HA -0.118 4.229 4.350 -0.005 0.000 0.261 247 T C 1.604 176.359 174.700 0.092 0.000 1.053 247 T CA 1.002 63.173 62.100 0.119 0.000 1.158 247 T CB -1.106 67.928 68.868 0.277 0.000 0.863 247 T HN -0.015 nan 8.240 nan 0.000 0.413 248 L N 1.503 122.821 121.223 0.157 0.000 2.351 248 L HA -0.007 4.330 4.340 -0.005 0.000 0.220 248 L C 2.259 179.175 176.870 0.076 0.000 1.127 248 L CA 1.564 56.473 54.840 0.115 0.000 0.786 248 L CB -0.645 41.482 42.059 0.114 0.000 0.914 248 L HN 0.114 nan 8.230 nan 0.000 0.443 249 R N -0.936 119.606 120.500 0.069 0.000 2.057 249 R HA -0.168 4.169 4.340 -0.005 0.000 0.229 249 R C 2.363 178.692 176.300 0.047 0.000 1.136 249 R CA 1.641 57.777 56.100 0.059 0.000 0.952 249 R CB -0.342 29.990 30.300 0.053 0.000 0.848 249 R HN 0.586 nan 8.270 nan 0.000 0.430 250 Q N -0.317 119.503 119.800 0.033 0.000 2.297 250 Q HA -0.075 4.262 4.340 -0.005 0.000 0.204 250 Q C 1.699 177.703 176.000 0.006 0.000 0.962 250 Q CA 1.133 56.946 55.803 0.016 0.000 0.879 250 Q CB 0.056 28.795 28.738 0.003 0.000 0.947 250 Q HN 0.467 nan 8.270 nan 0.000 0.462 251 A N 0.778 123.603 122.820 0.008 0.000 1.902 251 A HA -0.066 4.251 4.320 -0.005 0.000 0.217 251 A C 2.194 179.789 177.584 0.018 0.000 1.181 251 A CA 1.487 53.523 52.037 -0.002 0.000 0.623 251 A CB -0.777 18.225 19.000 0.004 0.000 0.818 251 A HN 0.499 nan 8.150 nan 0.000 0.443 252 A N -1.201 121.646 122.820 0.044 0.000 2.209 252 A HA 0.021 4.338 4.320 -0.005 0.000 0.212 252 A C 1.682 179.286 177.584 0.034 0.000 1.158 252 A CA 1.424 53.494 52.037 0.055 0.000 0.742 252 A CB -0.280 18.782 19.000 0.102 0.000 0.790 252 A HN 0.624 nan 8.150 nan 0.000 0.472 253 E N -0.219 119.997 120.200 0.026 0.000 2.562 253 E HA 0.024 4.371 4.350 -0.005 0.000 0.214 253 E C -0.370 176.237 176.600 0.013 0.000 0.979 253 E CA -0.410 56.003 56.400 0.021 0.000 1.002 253 E CB 0.174 29.887 29.700 0.022 0.000 1.048 253 E HN 0.500 nan 8.360 nan 0.000 0.488 254 D N 1.239 121.642 120.400 0.005 0.000 2.515 254 D HA -0.110 4.527 4.640 -0.005 0.000 0.232 254 D C 0.947 177.249 176.300 0.003 0.000 1.157 254 D CA 0.437 54.432 54.000 -0.008 0.000 0.871 254 D CB 1.029 41.813 40.800 -0.026 0.000 1.200 254 D HN -0.049 nan 8.370 nan 0.000 0.466 255 K N 1.028 121.427 120.400 -0.002 0.000 2.217 255 K HA -0.083 4.234 4.320 -0.005 0.000 0.202 255 K C 0.687 177.303 176.600 0.026 0.000 1.051 255 K CA 0.228 56.523 56.287 0.014 0.000 0.952 255 K CB -0.328 32.176 32.500 0.006 0.000 0.736 255 K HN 0.336 nan 8.250 nan 0.000 0.453 256 S N 2.204 117.894 115.700 -0.017 0.000 2.422 256 S HA 0.034 4.501 4.470 -0.005 0.000 0.283 256 S C 1.360 175.911 174.600 -0.082 0.000 1.163 256 S CA -0.833 57.325 58.200 -0.070 0.000 1.054 256 S CB 0.026 63.132 63.200 -0.157 0.000 0.967 256 S HN 0.405 nan 8.310 nan 0.000 0.499 257 W N 6.655 127.958 121.300 0.005 0.000 2.424 257 W HA -0.155 4.503 4.660 -0.003 0.000 0.264 257 W C 1.063 177.613 176.519 0.051 0.000 1.229 257 W CA 0.433 57.791 57.345 0.021 0.000 1.208 257 W CB -0.626 28.839 29.460 0.007 0.000 1.127 257 W HN 0.706 nan 8.180 nan 0.000 0.588 258 R N 0.889 120.709 120.500 -1.133 0.000 2.062 258 R HA -0.070 4.267 4.340 -0.005 0.000 0.226 258 R C 2.465 178.537 176.300 -0.380 0.000 1.125 258 R CA 1.660 57.076 56.100 -1.140 0.000 0.966 258 R CB -0.884 28.779 30.300 -1.063 0.000 0.861 258 R HN 0.118 nan 8.270 nan 0.000 0.433 259 V N 1.794 121.551 119.914 -0.261 0.000 2.255 259 V HA -0.286 3.831 4.120 -0.005 0.000 0.247 259 V C 2.433 178.506 176.094 -0.035 0.000 1.051 259 V CA 1.849 64.080 62.300 -0.115 0.000 1.018 259 V CB -0.626 31.138 31.823 -0.098 0.000 0.641 259 V HN 0.332 nan 8.190 nan 0.000 0.445 260 R N -0.783 119.710 120.500 -0.012 0.000 2.103 260 R HA -0.252 4.085 4.340 -0.005 0.000 0.242 260 R C 2.334 178.663 176.300 0.049 0.000 1.142 260 R CA 2.267 58.386 56.100 0.030 0.000 0.960 260 R CB -0.854 29.481 30.300 0.058 0.000 0.858 260 R HN 0.641 nan 8.270 nan 0.000 0.439 261 Y N 1.580 121.867 120.300 -0.022 0.000 2.207 261 Y HA -0.250 4.295 4.550 -0.007 0.000 0.287 261 Y C 2.475 178.370 175.900 -0.008 0.000 1.156 261 Y CA 1.800 59.910 58.100 0.016 0.000 1.182 261 Y CB -0.219 38.279 38.460 0.064 0.000 0.979 261 Y HN -0.016 nan 8.280 nan 0.000 0.521 262 M N -1.111 118.551 119.600 0.104 0.000 2.086 262 M HA -0.202 4.275 4.480 -0.005 0.000 0.261 262 M C 1.949 178.243 176.300 -0.009 0.000 1.067 262 M CA 2.012 57.343 55.300 0.052 0.000 1.116 262 M CB -0.456 32.174 32.600 0.049 0.000 1.348 262 M HN 0.180 nan 8.290 nan 0.000 0.407 263 V N 1.081 121.005 119.914 0.018 0.000 2.231 263 V HA -0.355 3.762 4.120 -0.005 0.000 0.250 263 V C 2.703 178.868 176.094 0.118 0.000 1.058 263 V CA 2.304 64.656 62.300 0.086 0.000 1.022 263 V CB -1.502 30.384 31.823 0.104 0.000 0.640 263 V HN 0.706 nan 8.190 nan 0.000 0.445 264 A N -0.373 122.408 122.820 -0.065 0.000 1.873 264 A HA -0.349 3.968 4.320 -0.005 0.000 0.218 264 A C 2.031 179.521 177.584 -0.156 0.000 1.193 264 A CA 2.517 54.423 52.037 -0.219 0.000 0.629 264 A CB -0.918 17.845 19.000 -0.396 0.000 0.826 264 A HN 0.620 nan 8.150 nan 0.000 0.447 265 D N -1.236 118.991 120.400 -0.288 0.000 2.264 265 D HA -0.057 4.580 4.640 -0.005 0.000 0.208 265 D C 1.399 177.689 176.300 -0.016 0.000 0.966 265 D CA 0.885 54.765 54.000 -0.200 0.000 0.864 265 D CB 0.115 40.739 40.800 -0.294 0.000 0.933 265 D HN 0.195 nan 8.370 nan 0.000 0.499 266 K N -0.549 119.870 120.400 0.032 0.000 2.399 266 K HA 0.046 4.362 4.320 -0.005 0.000 0.204 266 K C 0.880 177.554 176.600 0.123 0.000 1.023 266 K CA -0.302 56.029 56.287 0.073 0.000 1.127 266 K CB -0.001 32.533 32.500 0.057 0.000 0.856 266 K HN 0.180 nan 8.250 nan 0.000 0.514 267 F N 2.480 122.416 119.950 -0.024 0.000 2.046 267 F HA -0.291 4.235 4.527 -0.002 0.000 0.297 267 F C 2.645 178.483 175.800 0.063 0.000 1.123 267 F CA 2.398 60.393 58.000 -0.009 0.000 1.199 267 F CB -0.660 38.309 39.000 -0.052 0.000 0.972 267 F HN 0.165 nan 8.300 nan 0.000 0.474 268 T N -2.616 112.084 114.554 0.243 0.000 2.867 268 T HA -0.221 4.126 4.350 -0.005 0.000 0.268 268 T C 1.851 176.609 174.700 0.096 0.000 1.057 268 T CA 1.554 63.777 62.100 0.205 0.000 1.136 268 T CB -0.605 68.394 68.868 0.219 0.000 0.874 268 T HN 0.443 nan 8.240 nan 0.000 0.466 269 E N 0.284 120.527 120.200 0.072 0.000 2.204 269 E HA 0.011 4.358 4.350 -0.005 0.000 0.194 269 E C 2.037 178.641 176.600 0.007 0.000 0.989 269 E CA 0.565 56.990 56.400 0.041 0.000 0.824 269 E CB -0.198 29.529 29.700 0.044 0.000 0.756 269 E HN 0.572 nan 8.360 nan 0.000 0.477 270 L N 0.550 121.755 121.223 -0.029 0.000 2.034 270 L HA -0.181 4.156 4.340 -0.005 0.000 0.203 270 L C 2.911 179.732 176.870 -0.081 0.000 1.074 270 L CA 1.416 56.208 54.840 -0.081 0.000 0.748 270 L CB -0.758 41.194 42.059 -0.179 0.000 0.905 270 L HN 0.248 nan 8.230 nan 0.000 0.439 271 Q N 0.963 120.709 119.800 -0.090 0.000 2.062 271 Q HA -0.269 4.068 4.340 -0.005 0.000 0.209 271 Q C 1.244 177.239 176.000 -0.007 0.000 0.996 271 Q CA 1.733 57.526 55.803 -0.016 0.000 0.859 271 Q CB -0.451 28.367 28.738 0.134 0.000 0.920 271 Q HN 0.330 nan 8.270 nan 0.000 0.415 272 K N 0.278 120.682 120.400 0.007 0.000 2.914 272 K HA 0.125 4.442 4.320 -0.005 0.000 0.246 272 K C 0.213 176.807 176.600 -0.010 0.000 0.949 272 K CA 0.501 56.788 56.287 -0.000 0.000 1.136 272 K CB 0.209 32.716 32.500 0.013 0.000 0.976 272 K HN 0.465 nan 8.250 nan 0.000 0.473 273 A N -0.614 122.194 122.820 -0.020 0.000 2.679 273 A HA 0.025 4.342 4.320 -0.005 0.000 0.168 273 A C 0.846 178.409 177.584 -0.034 0.000 1.561 273 A CA -0.293 51.729 52.037 -0.026 0.000 1.139 273 A CB 0.563 19.548 19.000 -0.024 0.000 1.395 273 A HN 0.136 nan 8.150 nan 0.000 0.483 274 V N 0.347 120.239 119.914 -0.036 0.000 3.578 274 V HA 0.493 4.610 4.120 -0.005 0.000 0.290 274 V C 0.820 176.897 176.094 -0.028 0.000 1.376 274 V CA 1.363 63.641 62.300 -0.037 0.000 1.083 274 V CB -0.127 31.667 31.823 -0.047 0.000 0.911 274 V HN 1.826 nan 8.190 nan 0.000 0.433 275 G N 1.704 110.487 108.800 -0.027 0.000 2.850 275 G HA2 -0.131 3.826 3.960 -0.005 0.000 0.686 275 G HA3 -0.131 3.826 3.960 -0.005 0.000 0.686 275 G C -1.256 173.628 174.900 -0.027 0.000 1.164 275 G CA -0.128 44.956 45.100 -0.026 0.000 0.826 275 G HN 0.268 nan 8.290 nan 0.000 0.586 276 P HA -0.139 nan 4.420 nan 0.000 0.220 276 P C 1.213 178.490 177.300 -0.038 0.000 1.144 276 P CA 1.746 64.816 63.100 -0.050 0.000 0.800 276 P CB 0.284 31.951 31.700 -0.056 0.000 0.772 277 E N 0.130 120.315 120.200 -0.026 0.000 2.005 277 E HA -0.064 4.283 4.350 -0.005 0.000 0.191 277 E C 2.252 178.848 176.600 -0.005 0.000 0.987 277 E CA 0.865 57.255 56.400 -0.017 0.000 0.814 277 E CB -0.451 29.241 29.700 -0.014 0.000 0.772 277 E HN 0.220 nan 8.360 nan 0.000 0.453 278 I N 1.481 122.049 120.570 -0.004 0.000 2.423 278 I HA -0.253 3.914 4.170 -0.005 0.000 0.254 278 I C 2.313 178.442 176.117 0.019 0.000 1.151 278 I CA 0.849 62.153 61.300 0.006 0.000 1.421 278 I CB -0.746 37.252 38.000 -0.002 0.000 1.079 278 I HN 0.119 nan 8.210 nan 0.000 0.431 279 T N 1.064 115.627 114.554 0.015 0.000 2.588 279 T HA -0.241 4.106 4.350 -0.005 0.000 0.261 279 T C 1.961 176.711 174.700 0.083 0.000 1.069 279 T CA 1.619 63.750 62.100 0.052 0.000 1.172 279 T CB -0.267 68.607 68.868 0.011 0.000 0.863 279 T HN 0.339 nan 8.240 nan 0.000 0.408 280 K N 0.476 120.891 120.400 0.026 0.000 2.211 280 K HA -0.139 4.178 4.320 -0.005 0.000 0.204 280 K C 2.107 178.737 176.600 0.050 0.000 1.047 280 K CA 1.379 57.683 56.287 0.028 0.000 0.935 280 K CB -0.259 32.231 32.500 -0.015 0.000 0.728 280 K HN 0.318 nan 8.250 nan 0.000 0.452 281 T N 1.050 115.629 114.554 0.041 0.000 2.612 281 T HA -0.094 4.253 4.350 -0.005 0.000 0.259 281 T C 1.262 175.999 174.700 0.061 0.000 1.065 281 T CA 1.501 63.626 62.100 0.041 0.000 1.167 281 T CB -0.152 68.732 68.868 0.027 0.000 0.863 281 T HN 0.304 nan 8.240 nan 0.000 0.407 282 D N 0.376 120.817 120.400 0.068 0.000 2.394 282 D HA 0.209 4.846 4.640 -0.005 0.000 0.226 282 D C 2.340 178.716 176.300 0.127 0.000 0.990 282 D CA 0.230 54.279 54.000 0.082 0.000 0.902 282 D CB 0.046 40.881 40.800 0.058 0.000 1.038 282 D HN 0.222 nan 8.370 nan 0.000 0.499 283 L N 1.030 122.336 121.223 0.139 0.000 2.046 283 L HA -0.112 4.224 4.340 -0.005 0.000 0.208 283 L C 2.584 179.685 176.870 0.384 0.000 1.077 283 L CA 0.821 55.791 54.840 0.216 0.000 0.747 283 L CB -0.674 41.453 42.059 0.113 0.000 0.896 283 L HN -0.082 nan 8.230 nan 0.000 0.432 284 V N 0.341 120.463 119.914 0.346 0.000 2.332 284 V HA -0.162 3.955 4.120 -0.005 0.000 0.248 284 V C -0.131 176.118 176.094 0.258 0.000 1.055 284 V CA 2.043 64.544 62.300 0.334 0.000 1.038 284 V CB -1.523 30.435 31.823 0.225 0.000 0.651 284 V HN 0.338 nan 8.190 nan 0.000 0.450 285 P HA -0.077 nan 4.420 nan 0.000 0.218 285 P C 1.551 178.939 177.300 0.147 0.000 1.149 285 P CA 1.725 64.909 63.100 0.140 0.000 0.817 285 P CB -0.053 31.709 31.700 0.104 0.000 0.785 286 A N -0.472 122.466 122.820 0.198 0.000 1.826 286 A HA -0.164 4.152 4.320 -0.005 0.000 0.214 286 A C 2.041 179.710 177.584 0.142 0.000 1.212 286 A CA 1.162 53.313 52.037 0.191 0.000 0.605 286 A CB -1.876 17.297 19.000 0.289 0.000 0.861 286 A HN 0.129 nan 8.150 nan 0.000 0.447 287 F N 1.040 121.013 119.950 0.039 0.000 2.204 287 F HA -0.316 4.209 4.527 -0.004 0.000 0.301 287 F C 2.385 178.052 175.800 -0.221 0.000 1.058 287 F CA 2.380 60.150 58.000 -0.384 0.000 1.313 287 F CB -0.258 38.495 39.000 -0.411 0.000 1.051 287 F HN 0.388 nan 8.300 nan 0.000 0.505 288 Q N -0.318 119.595 119.800 0.188 0.000 2.083 288 Q HA -0.186 4.151 4.340 -0.005 0.000 0.198 288 Q C 1.941 177.934 176.000 -0.012 0.000 0.969 288 Q CA 1.739 57.614 55.803 0.119 0.000 0.838 288 Q CB -0.333 28.482 28.738 0.129 0.000 0.900 288 Q HN 0.601 nan 8.270 nan 0.000 0.436 289 N N 0.114 118.801 118.700 -0.022 0.000 2.166 289 N HA -0.125 4.612 4.740 -0.005 0.000 0.186 289 N C 1.730 177.172 175.510 -0.114 0.000 1.019 289 N CA 0.703 53.727 53.050 -0.043 0.000 0.856 289 N CB 0.033 38.513 38.487 -0.011 0.000 0.993 289 N HN 0.120 nan 8.380 nan 0.000 0.426 290 L N 0.472 121.559 121.223 -0.227 0.000 2.005 290 L HA -0.095 4.242 4.340 -0.005 0.000 0.207 290 L C 2.242 178.918 176.870 -0.324 0.000 1.072 290 L CA 1.043 55.690 54.840 -0.322 0.000 0.744 290 L CB -0.391 41.326 42.059 -0.570 0.000 0.895 290 L HN 0.235 nan 8.230 nan 0.000 0.433 291 M N -0.388 118.967 119.600 -0.409 0.000 2.435 291 M HA -0.190 4.287 4.480 -0.005 0.000 0.262 291 M C 1.036 177.249 176.300 -0.144 0.000 1.065 291 M CA 1.583 56.710 55.300 -0.287 0.000 1.076 291 M CB -0.214 32.264 32.600 -0.203 0.000 1.403 291 M HN 0.170 nan 8.290 nan 0.000 0.454 292 K N -0.402 119.928 120.400 -0.117 0.000 2.537 292 K HA 0.107 4.424 4.320 -0.005 0.000 0.206 292 K C -0.239 176.328 176.600 -0.055 0.000 1.041 292 K CA -0.245 56.003 56.287 -0.064 0.000 1.090 292 K CB 0.461 32.938 32.500 -0.038 0.000 0.833 292 K HN 0.073 nan 8.250 nan 0.000 0.493 293 D N 0.938 121.296 120.400 -0.071 0.000 2.414 293 D HA -0.048 4.589 4.640 -0.005 0.000 0.242 293 D C 1.413 177.699 176.300 -0.023 0.000 1.129 293 D CA -0.249 53.728 54.000 -0.039 0.000 0.885 293 D CB 1.152 41.931 40.800 -0.035 0.000 1.198 293 D HN 0.298 nan 8.370 nan 0.000 0.437 294 C N 2.602 121.897 119.300 -0.008 0.000 2.425 294 C HA -0.029 4.428 4.460 -0.005 0.000 0.277 294 C C 1.140 176.116 174.990 -0.023 0.000 1.280 294 C CA 0.066 59.076 59.018 -0.013 0.000 1.744 294 C CB -0.892 26.845 27.740 -0.005 0.000 1.989 294 C HN 0.607 nan 8.230 nan 0.000 0.491 295 E N 1.402 121.598 120.200 -0.007 0.000 2.104 295 E HA 0.475 4.822 4.350 -0.005 0.000 0.278 295 E C 1.078 177.661 176.600 -0.029 0.000 1.127 295 E CA 0.395 56.773 56.400 -0.037 0.000 0.897 295 E CB 0.796 30.509 29.700 0.023 0.000 1.043 295 E HN 0.457 nan 8.360 nan 0.000 0.410 296 A N 5.658 128.442 122.820 -0.059 0.000 1.997 296 A HA -0.230 4.087 4.320 -0.005 0.000 0.221 296 A C 1.757 179.349 177.584 0.014 0.000 1.172 296 A CA 1.562 53.582 52.037 -0.030 0.000 0.645 296 A CB -0.435 18.546 19.000 -0.032 0.000 0.813 296 A HN 0.670 nan 8.150 nan 0.000 0.454 297 E N -0.288 119.912 120.200 0.000 0.000 2.153 297 E HA -0.108 4.239 4.350 -0.005 0.000 0.194 297 E C 2.192 178.981 176.600 0.315 0.000 0.988 297 E CA 1.317 57.793 56.400 0.128 0.000 0.811 297 E CB -0.380 29.294 29.700 -0.044 0.000 0.746 297 E HN 0.470 nan 8.360 nan 0.000 0.466 298 V N 1.260 121.323 119.914 0.248 0.000 2.283 298 V HA -0.209 3.908 4.120 -0.005 0.000 0.243 298 V C 2.401 178.484 176.094 -0.017 0.000 1.039 298 V CA 1.546 63.953 62.300 0.177 0.000 1.016 298 V CB -0.482 31.416 31.823 0.124 0.000 0.650 298 V HN 0.177 nan 8.190 nan 0.000 0.449 299 R N 0.645 121.118 120.500 -0.044 0.000 2.112 299 R HA -0.243 4.094 4.340 -0.005 0.000 0.242 299 R C 2.466 178.697 176.300 -0.115 0.000 1.137 299 R CA 1.789 57.821 56.100 -0.113 0.000 0.944 299 R CB -0.947 29.304 30.300 -0.080 0.000 0.857 299 R HN 0.535 nan 8.270 nan 0.000 0.435 300 A N 1.532 124.311 122.820 -0.067 0.000 1.873 300 A HA -0.209 4.108 4.320 -0.005 0.000 0.218 300 A C 2.488 180.036 177.584 -0.060 0.000 1.193 300 A CA 2.088 54.060 52.037 -0.108 0.000 0.629 300 A CB -0.878 18.027 19.000 -0.158 0.000 0.826 300 A HN 0.457 nan 8.150 nan 0.000 0.447 301 A N -0.381 122.421 122.820 -0.030 0.000 1.908 301 A HA 0.094 4.411 4.320 -0.005 0.000 0.218 301 A C 2.527 180.012 177.584 -0.165 0.000 1.181 301 A CA 2.517 54.487 52.037 -0.112 0.000 0.627 301 A CB -1.129 17.651 19.000 -0.366 0.000 0.818 301 A HN 1.137 nan 8.150 nan 0.000 0.445 302 A N -0.466 122.191 122.820 -0.271 0.000 1.835 302 A HA -0.084 4.233 4.320 -0.005 0.000 0.215 302 A C 2.388 179.827 177.584 -0.241 0.000 1.199 302 A CA 2.111 53.876 52.037 -0.454 0.000 0.615 302 A CB -1.221 17.361 19.000 -0.698 0.000 0.838 302 A HN 0.510 nan 8.150 nan 0.000 0.444 303 S N -0.745 114.854 115.700 -0.168 0.000 2.423 303 S HA -0.184 4.283 4.470 -0.005 0.000 0.238 303 S C 1.430 176.022 174.600 -0.014 0.000 1.028 303 S CA 1.201 59.368 58.200 -0.055 0.000 1.000 303 S CB -0.472 62.689 63.200 -0.065 0.000 0.797 303 S HN 0.633 nan 8.310 nan 0.000 0.487 304 H N 0.572 119.613 119.070 -0.047 0.000 2.704 304 H HA 0.283 4.835 4.556 -0.006 0.000 0.315 304 H C 0.783 176.133 175.328 0.036 0.000 1.117 304 H CA 0.327 56.372 56.048 -0.005 0.000 1.129 304 H CB 0.022 29.774 29.762 -0.018 0.000 1.439 304 H HN 0.134 nan 8.280 nan 0.000 0.528 305 K N -0.896 119.580 120.400 0.125 0.000 2.705 305 K HA 0.049 4.366 4.320 -0.005 0.000 0.197 305 K C 1.913 178.672 176.600 0.266 0.000 1.624 305 K CA 0.176 56.584 56.287 0.202 0.000 1.197 305 K CB 0.178 32.809 32.500 0.217 0.000 1.603 305 K HN 0.004 nan 8.250 nan 0.000 0.597 306 V N 2.987 123.091 119.914 0.316 0.000 2.311 306 V HA -0.373 3.744 4.120 -0.005 0.000 0.259 306 V C 2.508 178.694 176.094 0.153 0.000 1.086 306 V CA 2.532 65.015 62.300 0.304 0.000 1.078 306 V CB -0.441 31.535 31.823 0.254 0.000 0.668 306 V HN 0.358 nan 8.190 nan 0.000 0.452 307 K N -0.068 120.388 120.400 0.094 0.000 1.965 307 K HA -0.257 4.060 4.320 -0.005 0.000 0.214 307 K C 2.303 178.940 176.600 0.062 0.000 1.046 307 K CA 2.114 58.428 56.287 0.045 0.000 0.944 307 K CB -0.322 32.183 32.500 0.008 0.000 0.726 307 K HN 0.554 nan 8.250 nan 0.000 0.441 308 E N -0.567 119.691 120.200 0.096 0.000 2.265 308 E HA -0.203 4.143 4.350 -0.005 0.000 0.196 308 E C 1.788 178.471 176.600 0.139 0.000 0.996 308 E CA 0.783 57.244 56.400 0.101 0.000 0.832 308 E CB -0.101 29.672 29.700 0.122 0.000 0.756 308 E HN 0.355 nan 8.360 nan 0.000 0.491 309 F N 0.197 120.158 119.950 0.020 0.000 2.206 309 F HA -0.113 4.411 4.527 -0.004 0.000 0.298 309 F C 2.000 177.752 175.800 -0.081 0.000 1.090 309 F CA 0.919 58.911 58.000 -0.013 0.000 1.323 309 F CB -0.419 38.546 39.000 -0.059 0.000 1.028 309 F HN 0.120 nan 8.300 nan 0.000 0.492 310 C N 0.508 119.720 119.300 -0.147 0.000 2.457 310 C HA -0.077 4.380 4.460 -0.005 0.000 0.278 310 C C 2.280 177.156 174.990 -0.189 0.000 1.309 310 C CA 0.719 59.592 59.018 -0.241 0.000 1.735 310 C CB -1.165 26.504 27.740 -0.119 0.000 1.992 310 C HN 0.424 nan 8.230 nan 0.000 0.493 311 E N 1.202 121.337 120.200 -0.107 0.000 2.533 311 E HA -0.059 4.288 4.350 -0.005 0.000 0.201 311 E C 0.341 176.882 176.600 -0.099 0.000 1.097 311 E CA 0.357 56.708 56.400 -0.082 0.000 0.887 311 E CB -0.138 29.538 29.700 -0.040 0.000 0.855 311 E HN 0.633 nan 8.360 nan 0.000 0.540 312 N N 0.253 118.855 118.700 -0.163 0.000 2.305 312 N HA 0.147 4.884 4.740 -0.005 0.000 0.248 312 N C -0.570 174.802 175.510 -0.231 0.000 1.290 312 N CA 0.026 52.981 53.050 -0.159 0.000 0.873 312 N CB 1.009 39.432 38.487 -0.107 0.000 1.261 312 N HN 0.059 nan 8.380 nan 0.000 0.504 313 L N 1.389 122.451 121.223 -0.269 0.000 2.357 313 L HA 0.327 4.664 4.340 -0.005 0.000 0.273 313 L C 0.897 177.673 176.870 -0.157 0.000 1.080 313 L CA -0.637 54.044 54.840 -0.265 0.000 0.803 313 L CB 1.144 43.018 42.059 -0.308 0.000 1.174 313 L HN 0.088 nan 8.230 nan 0.000 0.443 314 S N 1.364 116.990 115.700 -0.125 0.000 2.558 314 S HA 0.028 4.495 4.470 -0.005 0.000 0.293 314 S C 1.213 175.767 174.600 -0.078 0.000 1.292 314 S CA -0.110 58.039 58.200 -0.085 0.000 1.063 314 S CB 1.202 64.361 63.200 -0.067 0.000 0.831 314 S HN 0.753 nan 8.310 nan 0.000 0.499 315 A N 3.647 126.429 122.820 -0.063 0.000 1.915 315 A HA -0.274 4.043 4.320 -0.005 0.000 0.220 315 A C 2.037 179.592 177.584 -0.048 0.000 1.198 315 A CA 2.056 54.060 52.037 -0.054 0.000 0.647 315 A CB -1.238 17.736 19.000 -0.043 0.000 0.825 315 A HN 1.039 nan 8.150 nan 0.000 0.456 316 D N 0.534 120.908 120.400 -0.042 0.000 2.108 316 D HA -0.252 4.385 4.640 -0.005 0.000 0.190 316 D C 2.224 178.502 176.300 -0.037 0.000 0.995 316 D CA 2.282 56.261 54.000 -0.035 0.000 0.834 316 D CB -1.415 39.367 40.800 -0.030 0.000 0.967 316 D HN 0.709 nan 8.370 nan 0.000 0.446 317 C N 0.543 119.817 119.300 -0.044 0.000 2.467 317 C HA 0.212 4.669 4.460 -0.005 0.000 0.279 317 C C 2.746 177.702 174.990 -0.057 0.000 1.347 317 C CA 0.310 59.302 59.018 -0.044 0.000 1.748 317 C CB -0.903 26.811 27.740 -0.044 0.000 1.977 317 C HN 0.318 nan 8.230 nan 0.000 0.501 318 R N 2.168 122.621 120.500 -0.078 0.000 2.401 318 R HA -0.383 3.954 4.340 -0.005 0.000 0.210 318 R C 2.242 178.498 176.300 -0.072 0.000 1.054 318 R CA 2.951 58.993 56.100 -0.097 0.000 0.789 318 R CB -1.224 29.017 30.300 -0.098 0.000 0.869 318 R HN 0.742 nan 8.270 nan 0.000 0.406 319 E N -0.245 119.923 120.200 -0.054 0.000 2.253 319 E HA -0.296 4.051 4.350 -0.005 0.000 0.202 319 E C 1.832 178.417 176.600 -0.024 0.000 1.014 319 E CA 1.801 58.180 56.400 -0.034 0.000 0.823 319 E CB -0.244 29.442 29.700 -0.024 0.000 0.736 319 E HN 0.451 nan 8.360 nan 0.000 0.478 320 N N 0.157 118.841 118.700 -0.027 0.000 2.135 320 N HA -0.138 4.599 4.740 -0.005 0.000 0.186 320 N C 2.094 177.591 175.510 -0.021 0.000 1.027 320 N CA 1.891 54.930 53.050 -0.019 0.000 0.849 320 N CB 0.011 38.488 38.487 -0.017 0.000 1.002 320 N HN 0.294 nan 8.380 nan 0.000 0.425 321 V N -0.533 119.363 119.914 -0.031 0.000 2.379 321 V HA -0.029 4.088 4.120 -0.005 0.000 0.245 321 V C 2.350 178.428 176.094 -0.027 0.000 1.044 321 V CA 1.044 63.329 62.300 -0.024 0.000 1.036 321 V CB -0.829 30.975 31.823 -0.031 0.000 0.664 321 V HN 0.139 nan 8.190 nan 0.000 0.453 322 I N -0.618 119.926 120.570 -0.045 0.000 2.399 322 I HA -0.272 3.895 4.170 -0.005 0.000 0.254 322 I C 2.557 178.660 176.117 -0.024 0.000 1.146 322 I CA 2.694 63.970 61.300 -0.040 0.000 1.412 322 I CB -0.115 37.857 38.000 -0.048 0.000 1.076 322 I HN 0.390 nan 8.210 nan 0.000 0.432 323 M N -1.944 117.641 119.600 -0.026 0.000 2.379 323 M HA 0.009 4.486 4.480 -0.005 0.000 0.265 323 M C 1.897 178.160 176.300 -0.061 0.000 1.095 323 M CA 0.351 55.623 55.300 -0.047 0.000 1.075 323 M CB 0.557 33.141 32.600 -0.027 0.000 1.443 323 M HN 0.017 nan 8.290 nan 0.000 0.519 324 S N -0.814 114.867 115.700 -0.032 0.000 2.527 324 S HA 0.073 4.540 4.470 -0.005 0.000 0.227 324 S C 1.569 176.166 174.600 -0.006 0.000 1.059 324 S CA 0.329 58.514 58.200 -0.024 0.000 0.919 324 S CB 0.281 63.473 63.200 -0.013 0.000 0.805 324 S HN 0.389 nan 8.310 nan 0.000 0.500 325 Q N 0.331 120.134 119.800 0.006 0.000 2.387 325 Q HA 0.323 4.660 4.340 -0.005 0.000 0.212 325 Q C 1.733 177.763 176.000 0.051 0.000 0.925 325 Q CA 0.668 56.491 55.803 0.033 0.000 0.901 325 Q CB -0.397 28.368 28.738 0.045 0.000 1.020 325 Q HN 0.459 nan 8.270 nan 0.000 0.545 326 I N 0.465 121.057 120.570 0.037 0.000 2.364 326 I HA -0.120 4.047 4.170 -0.005 0.000 0.241 326 I C 2.192 178.337 176.117 0.047 0.000 1.082 326 I CA 0.427 61.762 61.300 0.059 0.000 1.401 326 I CB -0.797 37.221 38.000 0.031 0.000 1.126 326 I HN 0.065 nan 8.210 nan 0.000 0.429 327 L N 1.360 122.589 121.223 0.010 0.000 2.054 327 L HA -0.234 4.102 4.340 -0.005 0.000 0.220 327 L C -0.563 176.305 176.870 -0.003 0.000 1.081 327 L CA 2.507 57.343 54.840 -0.007 0.000 0.780 327 L CB -1.597 40.426 42.059 -0.060 0.000 0.893 327 L HN 0.160 nan 8.230 nan 0.000 0.438 328 P HA -0.150 nan 4.420 nan 0.000 0.216 328 P C 1.720 179.028 177.300 0.014 0.000 1.150 328 P CA 1.795 64.894 63.100 -0.001 0.000 0.843 328 P CB -0.206 31.495 31.700 0.001 0.000 0.787 329 C N -1.891 117.429 119.300 0.033 0.000 2.485 329 C HA 0.097 4.554 4.460 -0.005 0.000 0.277 329 C C 2.580 177.589 174.990 0.031 0.000 1.376 329 C CA 0.151 59.190 59.018 0.036 0.000 1.759 329 C CB -1.430 26.349 27.740 0.064 0.000 1.970 329 C HN 0.195 nan 8.230 nan 0.000 0.509 330 I N 0.983 121.577 120.570 0.040 0.000 2.439 330 I HA -0.139 4.028 4.170 -0.005 0.000 0.251 330 I C 2.351 178.482 176.117 0.023 0.000 1.139 330 I CA 1.251 62.573 61.300 0.035 0.000 1.438 330 I CB -0.441 37.586 38.000 0.045 0.000 1.085 330 I HN 0.350 nan 8.210 nan 0.000 0.427 331 K N 0.547 120.958 120.400 0.018 0.000 2.211 331 K HA -0.166 4.151 4.320 -0.005 0.000 0.204 331 K C 1.898 178.504 176.600 0.010 0.000 1.047 331 K CA 0.982 57.277 56.287 0.014 0.000 0.935 331 K CB 0.030 32.535 32.500 0.007 0.000 0.728 331 K HN 0.295 nan 8.250 nan 0.000 0.452 332 E N 0.812 121.016 120.200 0.007 0.000 2.042 332 E HA -0.040 4.307 4.350 -0.005 0.000 0.189 332 E C 1.764 178.363 176.600 -0.002 0.000 0.974 332 E CA 0.675 57.076 56.400 0.001 0.000 0.806 332 E CB -0.075 29.624 29.700 -0.002 0.000 0.769 332 E HN 0.259 nan 8.360 nan 0.000 0.451 333 L N 1.395 122.617 121.223 -0.002 0.000 2.784 333 L HA -0.075 4.262 4.340 -0.005 0.000 0.247 333 L C 1.715 178.584 176.870 -0.003 0.000 1.162 333 L CA -0.006 54.829 54.840 -0.009 0.000 0.881 333 L CB -0.198 41.855 42.059 -0.011 0.000 1.032 333 L HN -0.065 nan 8.230 nan 0.000 0.446 334 V N -2.726 117.190 119.914 0.003 0.000 3.151 334 V HA 0.025 4.142 4.120 -0.005 0.000 0.241 334 V C 1.585 177.680 176.094 0.002 0.000 1.173 334 V CA 0.687 62.991 62.300 0.007 0.000 1.154 334 V CB 0.813 32.645 31.823 0.014 0.000 0.898 334 V HN 0.240 nan 8.190 nan 0.000 0.473 335 S N 0.506 116.206 115.700 0.000 0.000 2.602 335 S HA 0.164 4.631 4.470 -0.005 0.000 0.246 335 S C 0.196 174.793 174.600 -0.005 0.000 1.009 335 S CA -0.210 57.989 58.200 -0.002 0.000 1.052 335 S CB -0.476 62.723 63.200 -0.001 0.000 0.778 335 S HN 0.493 nan 8.310 nan 0.000 0.455 336 D N 1.213 121.609 120.400 -0.006 0.000 2.302 336 D HA 0.340 4.977 4.640 -0.005 0.000 0.248 336 D C 1.044 177.340 176.300 -0.007 0.000 1.094 336 D CA -0.125 53.869 54.000 -0.009 0.000 0.897 336 D CB 1.582 42.374 40.800 -0.014 0.000 1.200 336 D HN 0.240 nan 8.370 nan 0.000 0.429 337 A N 4.266 127.081 122.820 -0.008 0.000 1.969 337 A HA -0.134 4.183 4.320 -0.005 0.000 0.218 337 A C 1.254 178.836 177.584 -0.003 0.000 1.169 337 A CA 0.535 52.568 52.037 -0.007 0.000 0.635 337 A CB -0.183 18.811 19.000 -0.011 0.000 0.810 337 A HN 0.638 nan 8.150 nan 0.000 0.445 338 N N 0.742 119.441 118.700 -0.002 0.000 2.420 338 N HA 0.059 4.795 4.740 -0.005 0.000 0.262 338 N C 0.332 175.858 175.510 0.026 0.000 1.144 338 N CA 0.037 53.094 53.050 0.012 0.000 0.952 338 N CB 0.715 39.209 38.487 0.011 0.000 1.081 338 N HN 0.458 nan 8.380 nan 0.000 0.480 339 Q N 1.406 121.230 119.800 0.040 0.000 2.488 339 Q HA -0.150 4.187 4.340 -0.005 0.000 0.211 339 Q C 0.641 176.699 176.000 0.097 0.000 0.967 339 Q CA 0.717 56.549 55.803 0.050 0.000 0.926 339 Q CB 0.036 28.797 28.738 0.038 0.000 0.992 339 Q HN 0.645 nan 8.270 nan 0.000 0.506 340 H N -0.391 118.682 119.070 0.004 0.000 2.497 340 H HA 0.054 4.606 4.556 -0.006 0.000 0.282 340 H C 1.691 177.039 175.328 0.033 0.000 1.003 340 H CA 0.560 56.618 56.048 0.017 0.000 1.307 340 H CB 0.139 29.904 29.762 0.006 0.000 1.437 340 H HN -0.067 nan 8.280 nan 0.000 0.544 341 V N 1.176 121.046 119.914 -0.074 0.000 2.229 341 V HA -0.227 3.890 4.120 -0.005 0.000 0.243 341 V C 2.227 178.274 176.094 -0.079 0.000 1.042 341 V CA 2.235 64.463 62.300 -0.121 0.000 1.000 341 V CB -0.362 31.427 31.823 -0.057 0.000 0.637 341 V HN 0.400 nan 8.190 nan 0.000 0.446 342 K N 0.104 120.487 120.400 -0.029 0.000 2.074 342 K HA -0.225 4.092 4.320 -0.005 0.000 0.209 342 K C 2.411 179.011 176.600 -0.001 0.000 1.048 342 K CA 1.845 58.126 56.287 -0.010 0.000 0.926 342 K CB -0.485 32.017 32.500 0.003 0.000 0.713 342 K HN 0.411 nan 8.250 nan 0.000 0.444 343 S N 0.373 116.082 115.700 0.014 0.000 2.399 343 S HA -0.110 4.357 4.470 -0.005 0.000 0.231 343 S C 1.984 176.611 174.600 0.046 0.000 1.022 343 S CA 1.097 59.325 58.200 0.046 0.000 0.983 343 S CB -0.117 63.142 63.200 0.097 0.000 0.803 343 S HN 0.387 nan 8.310 nan 0.000 0.480 344 A N 0.915 123.734 122.820 -0.001 0.000 1.930 344 A HA 0.159 4.476 4.320 -0.005 0.000 0.215 344 A C 2.052 179.602 177.584 -0.057 0.000 1.176 344 A CA 1.213 53.291 52.037 0.069 0.000 0.632 344 A CB -0.685 18.315 19.000 -0.000 0.000 0.819 344 A HN 0.534 nan 8.150 nan 0.000 0.445 345 L N 0.033 121.224 121.223 -0.053 0.000 1.973 345 L HA 0.037 4.374 4.340 -0.005 0.000 0.208 345 L C 2.632 179.476 176.870 -0.044 0.000 1.073 345 L CA 2.317 57.124 54.840 -0.055 0.000 0.746 345 L CB -1.038 41.008 42.059 -0.021 0.000 0.891 345 L HN 0.308 nan 8.230 nan 0.000 0.433 346 A N -0.901 121.916 122.820 -0.004 0.000 2.139 346 A HA -0.216 4.101 4.320 -0.005 0.000 0.221 346 A C 2.287 179.879 177.584 0.014 0.000 1.159 346 A CA 1.832 53.886 52.037 0.028 0.000 0.662 346 A CB -1.116 17.908 19.000 0.041 0.000 0.796 346 A HN 0.716 nan 8.150 nan 0.000 0.463 347 S N -1.104 114.582 115.700 -0.024 0.000 2.522 347 S HA 0.087 4.554 4.470 -0.005 0.000 0.227 347 S C 1.127 175.684 174.600 -0.072 0.000 0.986 347 S CA 1.050 59.235 58.200 -0.026 0.000 0.929 347 S CB -0.219 62.995 63.200 0.023 0.000 0.769 347 S HN 1.271 nan 8.310 nan 0.000 0.529 348 V N -3.235 116.615 119.914 -0.106 0.000 3.363 348 V HA 0.433 4.550 4.120 -0.005 0.000 0.270 348 V C 1.321 177.376 176.094 -0.065 0.000 1.667 348 V CA -0.143 62.099 62.300 -0.098 0.000 1.034 348 V CB -0.839 30.893 31.823 -0.152 0.000 0.857 348 V HN 0.340 nan 8.190 nan 0.000 0.410 349 I N 0.699 121.243 120.570 -0.043 0.000 2.730 349 I HA -0.209 3.958 4.170 -0.005 0.000 0.266 349 I C 1.995 178.085 176.117 -0.045 0.000 1.228 349 I CA 1.679 62.969 61.300 -0.016 0.000 1.445 349 I CB 0.202 38.220 38.000 0.030 0.000 1.102 349 I HN 0.310 nan 8.210 nan 0.000 0.464 350 M N -0.486 119.065 119.600 -0.081 0.000 2.541 350 M HA 0.112 4.589 4.480 -0.005 0.000 0.252 350 M C 2.001 178.224 176.300 -0.130 0.000 1.125 350 M CA 0.706 55.907 55.300 -0.165 0.000 1.091 350 M CB -1.120 31.344 32.600 -0.226 0.000 1.420 350 M HN 0.280 nan 8.290 nan 0.000 0.486 351 G N -0.123 108.628 108.800 -0.082 0.000 2.882 351 G HA2 0.045 4.002 3.960 -0.005 0.000 0.206 351 G HA3 0.045 4.002 3.960 -0.005 0.000 0.206 351 G C 1.539 176.403 174.900 -0.059 0.000 1.155 351 G CA 0.108 45.169 45.100 -0.064 0.000 0.800 351 G HN 0.352 nan 8.290 nan 0.000 0.524 352 L N -0.248 120.936 121.223 -0.065 0.000 2.102 352 L HA 0.004 4.341 4.340 -0.005 0.000 0.202 352 L C 2.993 179.828 176.870 -0.058 0.000 1.076 352 L CA 0.897 55.706 54.840 -0.052 0.000 0.761 352 L CB -0.590 41.447 42.059 -0.036 0.000 0.921 352 L HN 0.327 nan 8.230 nan 0.000 0.444 353 S N 0.689 116.341 115.700 -0.080 0.000 2.381 353 S HA -0.121 4.346 4.470 -0.005 0.000 0.230 353 S C -1.023 173.540 174.600 -0.063 0.000 1.052 353 S CA 1.681 59.834 58.200 -0.078 0.000 1.068 353 S CB -1.155 61.975 63.200 -0.117 0.000 0.918 353 S HN 0.205 nan 8.310 nan 0.000 0.448 354 P HA 0.167 nan 4.420 nan 0.000 0.277 354 P C 0.153 177.426 177.300 -0.046 0.000 1.617 354 P CA 0.596 63.664 63.100 -0.052 0.000 0.829 354 P CB -0.569 31.100 31.700 -0.051 0.000 1.774 355 I N -2.130 118.414 120.570 -0.044 0.000 5.294 355 I HA 0.061 4.228 4.170 -0.005 0.000 0.370 355 I C 1.484 177.581 176.117 -0.032 0.000 1.158 355 I CA 0.061 61.337 61.300 -0.041 0.000 1.569 355 I CB 0.380 38.352 38.000 -0.047 0.000 1.944 355 I HN -0.121 nan 8.210 nan 0.000 0.654 356 L N 1.122 122.329 121.223 -0.027 0.000 2.858 356 L HA 0.485 4.822 4.340 -0.005 0.000 0.251 356 L C 0.957 177.814 176.870 -0.021 0.000 1.149 356 L CA 0.183 55.015 54.840 -0.012 0.000 0.955 356 L CB 0.449 42.515 42.059 0.012 0.000 1.289 356 L HN 0.299 nan 8.230 nan 0.000 0.542 357 G N 1.661 110.442 108.800 -0.032 0.000 2.901 357 G HA2 -0.333 3.624 3.960 -0.005 0.000 0.654 357 G HA3 -0.333 3.624 3.960 -0.005 0.000 0.654 357 G C 0.578 175.451 174.900 -0.044 0.000 1.550 357 G CA 0.387 45.464 45.100 -0.037 0.000 0.978 357 G HN 0.307 nan 8.290 nan 0.000 0.566 358 K N -0.017 120.356 120.400 -0.045 0.000 1.988 358 K HA -0.309 4.008 4.320 -0.005 0.000 0.231 358 K C 1.943 178.506 176.600 -0.061 0.000 1.044 358 K CA 2.741 58.999 56.287 -0.049 0.000 1.013 358 K CB -0.481 31.994 32.500 -0.042 0.000 0.736 358 K HN 0.632 nan 8.250 nan 0.000 0.446 359 D N 0.305 120.665 120.400 -0.066 0.000 2.160 359 D HA -0.213 4.424 4.640 -0.005 0.000 0.189 359 D C 1.833 178.038 176.300 -0.157 0.000 1.003 359 D CA 1.581 55.524 54.000 -0.095 0.000 0.846 359 D CB -0.517 40.232 40.800 -0.084 0.000 0.949 359 D HN 0.418 nan 8.370 nan 0.000 0.446 360 N N 0.013 118.621 118.700 -0.152 0.000 2.244 360 N HA -0.078 4.659 4.740 -0.005 0.000 0.183 360 N C 1.735 177.174 175.510 -0.119 0.000 1.016 360 N CA 0.841 53.759 53.050 -0.221 0.000 0.866 360 N CB -0.360 38.110 38.487 -0.029 0.000 0.980 360 N HN 0.176 nan 8.380 nan 0.000 0.430 361 T N 1.106 115.621 114.554 -0.064 0.000 3.035 361 T HA 0.127 4.474 4.350 -0.005 0.000 0.268 361 T C 1.886 176.568 174.700 -0.030 0.000 1.109 361 T CA 0.443 62.522 62.100 -0.036 0.000 1.119 361 T CB 0.196 69.033 68.868 -0.053 0.000 0.900 361 T HN 0.233 nan 8.240 nan 0.000 0.503 362 I N -0.159 120.375 120.570 -0.060 0.000 3.708 362 I HA 0.170 4.337 4.170 -0.005 0.000 0.302 362 I C 2.255 178.345 176.117 -0.046 0.000 1.255 362 I CA 0.681 61.957 61.300 -0.039 0.000 1.362 362 I CB 0.204 38.176 38.000 -0.046 0.000 1.100 362 I HN 0.173 nan 8.210 nan 0.000 0.434 363 E N -0.408 119.718 120.200 -0.124 0.000 2.511 363 E HA 0.056 4.403 4.350 -0.005 0.000 0.209 363 E C 1.224 177.843 176.600 0.032 0.000 0.986 363 E CA 0.164 56.496 56.400 -0.112 0.000 0.974 363 E CB 0.505 30.065 29.700 -0.234 0.000 1.030 363 E HN 0.594 nan 8.360 nan 0.000 0.490 364 H N -1.282 117.796 119.070 0.014 0.000 2.545 364 H HA 0.213 4.767 4.556 -0.004 0.000 0.251 364 H C 1.833 177.177 175.328 0.025 0.000 0.934 364 H CA -0.037 56.020 56.048 0.016 0.000 1.116 364 H CB 0.832 30.598 29.762 0.007 0.000 1.439 364 H HN -0.003 nan 8.280 nan 0.000 0.445 365 L N 0.392 121.703 121.223 0.147 0.000 2.354 365 L HA -0.002 4.335 4.340 -0.005 0.000 0.212 365 L C 1.838 178.792 176.870 0.141 0.000 1.091 365 L CA 0.213 55.115 54.840 0.103 0.000 0.828 365 L CB 0.144 42.224 42.059 0.035 0.000 0.973 365 L HN 0.171 nan 8.230 nan 0.000 0.461 366 L N 0.993 122.294 121.223 0.130 0.000 2.027 366 L HA -0.032 4.305 4.340 -0.005 0.000 0.206 366 L C -0.413 176.543 176.870 0.144 0.000 1.074 366 L CA 1.970 56.918 54.840 0.179 0.000 0.745 366 L CB -1.285 40.844 42.059 0.115 0.000 0.898 366 L HN 0.040 nan 8.230 nan 0.000 0.433 367 P HA -0.155 nan 4.420 nan 0.000 0.219 367 P C 1.734 179.072 177.300 0.064 0.000 1.146 367 P CA 1.403 64.543 63.100 0.068 0.000 0.808 367 P CB 0.092 31.832 31.700 0.067 0.000 0.779 368 L N -2.819 118.461 121.223 0.096 0.000 2.116 368 L HA -0.008 4.329 4.340 -0.005 0.000 0.200 368 L C 2.280 179.220 176.870 0.117 0.000 1.084 368 L CA 0.794 55.688 54.840 0.090 0.000 0.766 368 L CB -1.273 40.843 42.059 0.096 0.000 0.930 368 L HN -0.110 nan 8.230 nan 0.000 0.453 369 F N 0.977 120.929 119.950 0.005 0.000 2.225 369 F HA -0.268 4.255 4.527 -0.006 0.000 0.302 369 F C 2.074 177.873 175.800 -0.002 0.000 1.068 369 F CA 1.403 59.402 58.000 -0.002 0.000 1.327 369 F CB -0.189 38.809 39.000 -0.004 0.000 1.043 369 F HN -0.050 nan 8.300 nan 0.000 0.506 370 L N -0.622 120.530 121.223 -0.119 0.000 2.145 370 L HA 0.078 4.415 4.340 -0.005 0.000 0.201 370 L C 2.558 179.341 176.870 -0.144 0.000 1.075 370 L CA 1.145 55.856 54.840 -0.214 0.000 0.773 370 L CB -0.752 41.256 42.059 -0.085 0.000 0.936 370 L HN 0.091 nan 8.230 nan 0.000 0.451 371 A N -0.735 122.049 122.820 -0.061 0.000 2.024 371 A HA -0.229 4.088 4.320 -0.005 0.000 0.220 371 A C 2.099 179.655 177.584 -0.047 0.000 1.164 371 A CA 1.499 53.513 52.037 -0.039 0.000 0.643 371 A CB -0.358 18.637 19.000 -0.007 0.000 0.806 371 A HN 0.605 nan 8.150 nan 0.000 0.451 372 Q N -1.380 118.386 119.800 -0.057 0.000 2.033 372 Q HA -0.058 4.279 4.340 -0.005 0.000 0.196 372 Q C 2.046 177.995 176.000 -0.085 0.000 0.970 372 Q CA 1.092 56.868 55.803 -0.044 0.000 0.828 372 Q CB -0.353 28.385 28.738 0.001 0.000 0.895 372 Q HN 0.547 nan 8.270 nan 0.000 0.440 373 L N 1.584 122.699 121.223 -0.179 0.000 2.129 373 L HA -0.177 4.160 4.340 -0.005 0.000 0.212 373 L C 0.845 177.648 176.870 -0.111 0.000 1.087 373 L CA 1.793 56.518 54.840 -0.192 0.000 0.757 373 L CB -0.132 41.714 42.059 -0.355 0.000 0.896 373 L HN -0.022 nan 8.230 nan 0.000 0.434 374 K N 0.284 120.628 120.400 -0.094 0.000 3.129 374 K HA 0.105 4.422 4.320 -0.005 0.000 0.241 374 K C -0.374 176.205 176.600 -0.036 0.000 1.239 374 K CA -0.195 56.058 56.287 -0.057 0.000 1.239 374 K CB -0.210 32.259 32.500 -0.052 0.000 1.347 374 K HN 0.197 nan 8.250 nan 0.000 0.435 375 D N 0.988 121.369 120.400 -0.031 0.000 2.185 375 D HA 0.078 4.715 4.640 -0.005 0.000 0.247 375 D C 0.648 176.944 176.300 -0.008 0.000 1.027 375 D CA -0.128 53.862 54.000 -0.016 0.000 0.861 375 D CB 1.356 42.148 40.800 -0.012 0.000 1.202 375 D HN 0.105 nan 8.370 nan 0.000 0.453 376 E N 1.097 121.295 120.200 -0.004 0.000 2.012 376 E HA -0.155 4.192 4.350 -0.005 0.000 0.197 376 E C 0.856 177.459 176.600 0.004 0.000 1.007 376 E CA 0.787 57.187 56.400 0.000 0.000 0.816 376 E CB -0.168 29.533 29.700 0.001 0.000 0.762 376 E HN 0.409 nan 8.360 nan 0.000 0.451 377 C N 3.122 122.425 119.300 0.006 0.000 2.250 377 C HA -0.046 4.410 4.460 -0.005 0.000 0.405 377 C C -1.343 173.655 174.990 0.013 0.000 1.516 377 C CA -1.218 57.806 59.018 0.010 0.000 1.412 377 C CB -0.259 27.491 27.740 0.016 0.000 2.534 377 C HN 0.193 nan 8.230 nan 0.000 0.621 378 P HA -0.116 nan 4.420 nan 0.000 0.221 378 P C 1.366 178.681 177.300 0.026 0.000 1.145 378 P CA 1.351 64.461 63.100 0.016 0.000 0.795 378 P CB 0.043 31.748 31.700 0.008 0.000 0.775 379 E N -0.635 119.581 120.200 0.027 0.000 2.072 379 E HA -0.086 4.261 4.350 -0.005 0.000 0.191 379 E C 2.080 178.708 176.600 0.046 0.000 0.985 379 E CA 0.961 57.386 56.400 0.041 0.000 0.801 379 E CB -1.064 28.664 29.700 0.046 0.000 0.750 379 E HN 0.139 nan 8.360 nan 0.000 0.452 380 V N 2.430 122.366 119.914 0.036 0.000 2.216 380 V HA -0.273 3.844 4.120 -0.005 0.000 0.243 380 V C 2.591 178.698 176.094 0.021 0.000 1.044 380 V CA 2.389 64.707 62.300 0.030 0.000 0.995 380 V CB -0.710 31.125 31.823 0.020 0.000 0.633 380 V HN 0.314 nan 8.190 nan 0.000 0.446 381 R N 0.243 120.749 120.500 0.009 0.000 2.293 381 R HA -0.120 4.217 4.340 -0.005 0.000 0.219 381 R C 1.928 178.232 176.300 0.006 0.000 1.091 381 R CA 1.376 57.474 56.100 -0.004 0.000 1.004 381 R CB -0.498 29.795 30.300 -0.011 0.000 0.865 381 R HN 0.416 nan 8.270 nan 0.000 0.469 382 L N 1.067 122.305 121.223 0.024 0.000 2.270 382 L HA 0.052 4.389 4.340 -0.005 0.000 0.210 382 L C 1.502 178.361 176.870 -0.019 0.000 1.104 382 L CA 1.327 56.189 54.840 0.036 0.000 0.804 382 L CB -0.273 41.836 42.059 0.084 0.000 0.937 382 L HN 0.220 nan 8.230 nan 0.000 0.450 383 N N -0.521 118.180 118.700 0.002 0.000 2.290 383 N HA -0.014 4.723 4.740 -0.005 0.000 0.179 383 N C 1.716 177.219 175.510 -0.012 0.000 1.016 383 N CA 0.852 53.896 53.050 -0.009 0.000 0.871 383 N CB 0.071 38.577 38.487 0.031 0.000 0.987 383 N HN 0.200 nan 8.380 nan 0.000 0.431 384 I N 1.480 122.065 120.570 0.025 0.000 2.657 384 I HA -0.163 4.004 4.170 -0.005 0.000 0.261 384 I C 1.487 177.656 176.117 0.087 0.000 1.212 384 I CA 0.911 62.270 61.300 0.098 0.000 1.453 384 I CB -0.474 37.547 38.000 0.035 0.000 1.092 384 I HN 0.084 nan 8.210 nan 0.000 0.452 385 I N -0.750 119.800 120.570 -0.034 0.000 3.708 385 I HA 0.025 4.192 4.170 -0.005 0.000 0.302 385 I C 2.313 178.286 176.117 -0.239 0.000 1.255 385 I CA 0.516 61.764 61.300 -0.086 0.000 1.362 385 I CB -0.880 37.061 38.000 -0.097 0.000 1.100 385 I HN 0.022 nan 8.210 nan 0.000 0.434 386 S N 1.485 116.982 115.700 -0.338 0.000 2.402 386 S HA -0.007 4.460 4.470 -0.005 0.000 0.229 386 S C 1.031 175.533 174.600 -0.163 0.000 1.021 386 S CA 0.874 58.821 58.200 -0.423 0.000 0.974 386 S CB -0.204 62.818 63.200 -0.297 0.000 0.800 386 S HN 0.446 nan 8.310 nan 0.000 0.484 387 N N 1.541 120.191 118.700 -0.082 0.000 3.228 387 N HA 0.336 5.073 4.740 -0.005 0.000 0.289 387 N C 0.260 175.749 175.510 -0.035 0.000 1.419 387 N CA -0.012 53.011 53.050 -0.044 0.000 1.088 387 N CB 0.713 39.178 38.487 -0.037 0.000 1.357 387 N HN 0.284 nan 8.380 nan 0.000 0.504 388 L N 0.086 121.295 121.223 -0.024 0.000 2.004 388 L HA -0.042 4.295 4.340 -0.005 0.000 0.205 388 L C 1.675 178.528 176.870 -0.028 0.000 1.089 388 L CA 0.846 55.684 54.840 -0.004 0.000 0.756 388 L CB -0.289 41.781 42.059 0.018 0.000 0.900 388 L HN 0.182 nan 8.230 nan 0.000 0.440 389 D N -0.158 120.231 120.400 -0.018 0.000 2.218 389 D HA -0.322 4.315 4.640 -0.005 0.000 0.194 389 D C 2.139 178.412 176.300 -0.044 0.000 1.007 389 D CA 1.784 55.769 54.000 -0.025 0.000 0.879 389 D CB -0.606 40.186 40.800 -0.014 0.000 0.918 389 D HN 0.465 nan 8.370 nan 0.000 0.449 390 C N 0.577 119.846 119.300 -0.051 0.000 2.382 390 C HA -0.191 4.266 4.460 -0.005 0.000 0.274 390 C C 2.367 177.295 174.990 -0.103 0.000 1.180 390 C CA 1.224 60.199 59.018 -0.071 0.000 1.799 390 C CB -0.626 27.067 27.740 -0.078 0.000 2.094 390 C HN 0.235 nan 8.230 nan 0.000 0.468 391 V N -0.024 119.810 119.914 -0.133 0.000 3.398 391 V HA 0.160 4.277 4.120 -0.005 0.000 0.298 391 V C 1.574 177.593 176.094 -0.124 0.000 1.496 391 V CA 0.329 62.527 62.300 -0.170 0.000 1.044 391 V CB -0.238 31.390 31.823 -0.326 0.000 0.880 391 V HN 0.441 nan 8.190 nan 0.000 0.443 392 N N 1.397 120.049 118.700 -0.080 0.000 2.354 392 N HA -0.060 4.677 4.740 -0.005 0.000 0.179 392 N C 1.443 176.925 175.510 -0.047 0.000 1.021 392 N CA 0.924 53.944 53.050 -0.051 0.000 0.887 392 N CB 0.228 38.698 38.487 -0.028 0.000 0.974 392 N HN 0.581 nan 8.380 nan 0.000 0.437 393 E N -0.318 119.853 120.200 -0.049 0.000 2.485 393 E HA 0.030 4.377 4.350 -0.005 0.000 0.194 393 E C 0.485 177.058 176.600 -0.046 0.000 1.098 393 E CA 0.052 56.427 56.400 -0.042 0.000 0.878 393 E CB 0.487 30.164 29.700 -0.038 0.000 0.939 393 E HN 0.085 nan 8.360 nan 0.000 0.503 394 V N 0.139 120.019 119.914 -0.055 0.000 3.432 394 V HA 0.198 4.315 4.120 -0.005 0.000 0.290 394 V C 0.144 176.206 176.094 -0.054 0.000 1.591 394 V CA -0.120 62.147 62.300 -0.055 0.000 1.069 394 V CB -0.001 31.783 31.823 -0.065 0.000 0.892 394 V HN 0.190 nan 8.190 nan 0.000 0.436 395 I N -3.179 117.359 120.570 -0.053 0.000 3.434 395 I HA 0.890 5.057 4.170 -0.005 0.000 0.317 395 I C 0.202 176.300 176.117 -0.032 0.000 1.230 395 I CA -1.015 60.260 61.300 -0.043 0.000 0.918 395 I CB 1.615 39.588 38.000 -0.046 0.000 1.337 395 I HN -0.015 nan 8.210 nan 0.000 0.482 396 G N 1.287 110.074 108.800 -0.023 0.000 2.358 396 G HA2 0.412 4.369 3.960 -0.005 0.000 0.273 396 G HA3 0.412 4.369 3.960 -0.005 0.000 0.273 396 G C 0.522 175.407 174.900 -0.025 0.000 1.215 396 G CA -0.484 44.601 45.100 -0.025 0.000 0.910 396 G HN 0.649 nan 8.290 nan 0.000 0.467 397 I N 1.904 122.449 120.570 -0.041 0.000 2.361 397 I HA -0.204 3.963 4.170 -0.005 0.000 0.251 397 I C 2.852 178.904 176.117 -0.108 0.000 1.133 397 I CA 1.243 62.510 61.300 -0.055 0.000 1.413 397 I CB -0.124 37.839 38.000 -0.062 0.000 1.073 397 I HN 0.687 nan 8.210 nan 0.000 0.424 398 R N 0.610 121.039 120.500 -0.118 0.000 2.127 398 R HA -0.029 4.308 4.340 -0.005 0.000 0.217 398 R C 1.812 178.055 176.300 -0.095 0.000 1.074 398 R CA 0.516 56.521 56.100 -0.158 0.000 0.991 398 R CB -0.436 29.786 30.300 -0.129 0.000 0.895 398 R HN 0.224 nan 8.270 nan 0.000 0.450 399 Q N 0.472 120.243 119.800 -0.048 0.000 2.541 399 Q HA 0.020 4.357 4.340 -0.005 0.000 0.215 399 Q C 1.047 177.053 176.000 0.010 0.000 0.977 399 Q CA 0.785 56.578 55.803 -0.016 0.000 0.934 399 Q CB 0.247 28.985 28.738 -0.001 0.000 0.988 399 Q HN 0.331 nan 8.270 nan 0.000 0.521 400 L N -1.486 119.737 121.223 0.001 0.000 2.515 400 L HA 0.131 4.468 4.340 -0.005 0.000 0.202 400 L C 1.991 178.845 176.870 -0.028 0.000 1.056 400 L CA 0.785 55.648 54.840 0.038 0.000 0.847 400 L CB -1.105 41.023 42.059 0.115 0.000 1.131 400 L HN -0.065 nan 8.230 nan 0.000 0.484 401 S N -0.414 115.223 115.700 -0.104 0.000 2.520 401 S HA -0.211 4.256 4.470 -0.005 0.000 0.249 401 S C 1.431 175.982 174.600 -0.083 0.000 0.983 401 S CA 1.305 59.387 58.200 -0.196 0.000 0.958 401 S CB -0.147 62.673 63.200 -0.634 0.000 0.750 401 S HN 0.519 nan 8.310 nan 0.000 0.527 402 Q N -0.683 119.084 119.800 -0.055 0.000 2.198 402 Q HA 0.306 4.643 4.340 -0.005 0.000 0.209 402 Q C 1.434 177.428 176.000 -0.010 0.000 0.848 402 Q CA 0.015 55.811 55.803 -0.013 0.000 0.974 402 Q CB 0.567 29.292 28.738 -0.022 0.000 1.115 402 Q HN 0.452 nan 8.270 nan 0.000 0.494 403 S N 0.141 115.827 115.700 -0.024 0.000 2.830 403 S HA 0.107 4.574 4.470 -0.005 0.000 0.249 403 S C 1.112 175.678 174.600 -0.055 0.000 1.084 403 S CA -0.293 57.875 58.200 -0.053 0.000 0.852 403 S CB 0.296 63.437 63.200 -0.099 0.000 0.802 403 S HN 0.413 nan 8.310 nan 0.000 0.481 404 L N 1.970 123.169 121.223 -0.039 0.000 2.715 404 L HA 0.382 4.719 4.340 -0.005 0.000 0.238 404 L C 0.981 177.874 176.870 0.038 0.000 1.212 404 L CA -0.150 54.679 54.840 -0.018 0.000 1.017 404 L CB -0.726 41.329 42.059 -0.007 0.000 1.269 404 L HN 0.141 nan 8.230 nan 0.000 0.452 405 L N 0.529 121.778 121.223 0.044 0.000 1.948 405 L HA -0.026 4.311 4.340 -0.005 0.000 0.212 405 L C 0.238 177.125 176.870 0.027 0.000 1.074 405 L CA 1.715 56.594 54.840 0.066 0.000 0.753 405 L CB -2.735 39.358 42.059 0.056 0.000 0.888 405 L HN 0.242 nan 8.230 nan 0.000 0.432 406 P HA -0.181 nan 4.420 nan 0.000 0.215 406 P C 1.580 178.887 177.300 0.011 0.000 1.157 406 P CA 2.035 65.138 63.100 0.005 0.000 0.859 406 P CB -0.035 31.665 31.700 -0.001 0.000 0.786 407 A N 0.850 123.672 122.820 0.003 0.000 1.909 407 A HA -0.245 4.072 4.320 -0.005 0.000 0.221 407 A C 2.437 180.042 177.584 0.034 0.000 1.223 407 A CA 2.583 54.623 52.037 0.005 0.000 0.658 407 A CB -1.799 17.188 19.000 -0.021 0.000 0.831 407 A HN 0.193 nan 8.150 nan 0.000 0.462 408 I N -0.926 119.670 120.570 0.043 0.000 2.315 408 I HA -0.193 3.974 4.170 -0.005 0.000 0.248 408 I C 2.352 178.513 176.117 0.074 0.000 1.117 408 I CA 1.102 62.444 61.300 0.071 0.000 1.404 408 I CB -0.453 37.585 38.000 0.064 0.000 1.071 408 I HN 0.203 nan 8.210 nan 0.000 0.419 409 V N 0.706 120.640 119.914 0.033 0.000 2.229 409 V HA -0.294 3.823 4.120 -0.005 0.000 0.243 409 V C 2.424 178.555 176.094 0.061 0.000 1.042 409 V CA 2.006 64.318 62.300 0.020 0.000 1.000 409 V CB -0.672 31.144 31.823 -0.013 0.000 0.637 409 V HN 0.397 nan 8.190 nan 0.000 0.446 410 E N -0.161 120.065 120.200 0.044 0.000 2.113 410 E HA -0.301 4.046 4.350 -0.005 0.000 0.210 410 E C 2.105 178.748 176.600 0.072 0.000 1.040 410 E CA 2.210 58.638 56.400 0.047 0.000 0.847 410 E CB -0.256 29.462 29.700 0.030 0.000 0.755 410 E HN 0.525 nan 8.360 nan 0.000 0.459 411 L N -0.346 120.928 121.223 0.086 0.000 2.093 411 L HA -0.115 4.222 4.340 -0.005 0.000 0.208 411 L C 2.505 179.471 176.870 0.160 0.000 1.085 411 L CA 0.806 55.707 54.840 0.100 0.000 0.755 411 L CB -0.413 41.708 42.059 0.104 0.000 0.904 411 L HN 0.175 nan 8.230 nan 0.000 0.435 412 A N 0.535 123.506 122.820 0.252 0.000 2.178 412 A HA -0.152 4.165 4.320 -0.005 0.000 0.218 412 A C 1.093 178.946 177.584 0.449 0.000 1.157 412 A CA 1.371 53.714 52.037 0.509 0.000 0.689 412 A CB -0.501 18.770 19.000 0.453 0.000 0.787 412 A HN 0.663 nan 8.150 nan 0.000 0.465 413 E N -0.371 119.963 120.200 0.224 0.000 4.090 413 E HA 0.218 4.565 4.350 -0.005 0.000 0.235 413 E C -1.482 175.176 176.600 0.096 0.000 1.187 413 E CA -0.683 55.813 56.400 0.161 0.000 1.308 413 E CB 0.072 29.838 29.700 0.110 0.000 1.222 413 E HN 0.174 nan 8.360 nan 0.000 0.414 414 D N 0.799 121.250 120.400 0.086 0.000 2.210 414 D HA 0.315 4.952 4.640 -0.005 0.000 0.249 414 D C 1.095 177.429 176.300 0.058 0.000 1.062 414 D CA 0.053 54.085 54.000 0.054 0.000 0.891 414 D CB 1.965 42.785 40.800 0.033 0.000 1.186 414 D HN 0.244 nan 8.370 nan 0.000 0.432 415 A N 4.284 127.133 122.820 0.049 0.000 1.917 415 A HA -0.192 4.125 4.320 -0.005 0.000 0.219 415 A C 0.890 178.524 177.584 0.083 0.000 1.182 415 A CA 1.277 53.351 52.037 0.062 0.000 0.633 415 A CB -0.382 18.649 19.000 0.051 0.000 0.819 415 A HN 0.618 nan 8.150 nan 0.000 0.448 416 K N 1.861 122.286 120.400 0.042 0.000 2.237 416 K HA 0.015 4.332 4.320 -0.005 0.000 0.283 416 K C 0.890 177.481 176.600 -0.015 0.000 1.080 416 K CA -0.026 56.259 56.287 -0.003 0.000 0.965 416 K CB 0.062 32.518 32.500 -0.072 0.000 1.098 416 K HN 0.744 nan 8.250 nan 0.000 0.434 417 W N 4.302 125.592 121.300 -0.017 0.000 2.321 417 W HA -0.282 4.376 4.660 -0.004 0.000 0.285 417 W C 0.577 177.056 176.519 -0.065 0.000 1.213 417 W CA 0.626 57.945 57.345 -0.044 0.000 1.205 417 W CB -0.460 28.984 29.460 -0.027 0.000 1.134 417 W HN 0.433 nan 8.180 nan 0.000 0.549 418 R N 1.238 121.210 120.500 -0.880 0.000 2.081 418 R HA -0.118 4.219 4.340 -0.005 0.000 0.235 418 R C 2.429 178.507 176.300 -0.370 0.000 1.131 418 R CA 1.693 57.250 56.100 -0.906 0.000 0.960 418 R CB -1.326 28.474 30.300 -0.832 0.000 0.856 418 R HN 0.254 nan 8.270 nan 0.000 0.436 419 V N 1.699 121.470 119.914 -0.238 0.000 2.282 419 V HA -0.293 3.824 4.120 -0.005 0.000 0.249 419 V C 2.578 178.618 176.094 -0.091 0.000 1.057 419 V CA 1.895 64.126 62.300 -0.117 0.000 1.032 419 V CB -0.471 31.315 31.823 -0.061 0.000 0.645 419 V HN 0.348 nan 8.190 nan 0.000 0.447 420 R N -0.503 119.947 120.500 -0.083 0.000 2.083 420 R HA -0.180 4.157 4.340 -0.005 0.000 0.237 420 R C 2.267 178.407 176.300 -0.267 0.000 1.137 420 R CA 1.718 57.731 56.100 -0.147 0.000 0.951 420 R CB -0.811 29.418 30.300 -0.119 0.000 0.851 420 R HN 0.396 nan 8.270 nan 0.000 0.434 421 L N 1.229 122.356 121.223 -0.161 0.000 2.127 421 L HA -0.135 4.202 4.340 -0.005 0.000 0.211 421 L C 2.259 179.012 176.870 -0.195 0.000 1.089 421 L CA 1.778 56.523 54.840 -0.159 0.000 0.757 421 L CB -0.609 41.450 42.059 0.000 0.000 0.899 421 L HN 0.161 nan 8.230 nan 0.000 0.434 422 A N -0.421 122.302 122.820 -0.161 0.000 1.883 422 A HA -0.238 4.079 4.320 -0.005 0.000 0.217 422 A C 2.260 179.795 177.584 -0.083 0.000 1.186 422 A CA 2.119 54.084 52.037 -0.120 0.000 0.624 422 A CB -0.916 18.060 19.000 -0.041 0.000 0.822 422 A HN 0.456 nan 8.150 nan 0.000 0.444 423 I N -0.072 120.492 120.570 -0.011 0.000 2.439 423 I HA -0.086 4.081 4.170 -0.005 0.000 0.251 423 I C 1.998 178.150 176.117 0.058 0.000 1.139 423 I CA 0.700 62.080 61.300 0.133 0.000 1.438 423 I CB -0.267 37.836 38.000 0.172 0.000 1.085 423 I HN 0.363 nan 8.210 nan 0.000 0.427 424 I N 0.564 121.002 120.570 -0.219 0.000 2.361 424 I HA -0.231 3.935 4.170 -0.005 0.000 0.251 424 I C 2.083 178.157 176.117 -0.072 0.000 1.133 424 I CA 0.911 62.061 61.300 -0.250 0.000 1.413 424 I CB -0.599 37.066 38.000 -0.559 0.000 1.073 424 I HN 0.241 nan 8.210 nan 0.000 0.424 425 E N 0.441 120.526 120.200 -0.192 0.000 2.153 425 E HA -0.202 4.145 4.350 -0.005 0.000 0.194 425 E C 1.658 178.128 176.600 -0.218 0.000 0.988 425 E CA 1.492 57.724 56.400 -0.281 0.000 0.811 425 E CB -0.242 29.129 29.700 -0.549 0.000 0.746 425 E HN 0.595 nan 8.360 nan 0.000 0.466 426 Y N -0.687 119.659 120.300 0.076 0.000 2.462 426 Y HA 0.146 4.693 4.550 -0.005 0.000 0.261 426 Y C 2.058 178.047 175.900 0.149 0.000 1.146 426 Y CA -0.099 58.062 58.100 0.100 0.000 1.283 426 Y CB -0.123 38.390 38.460 0.088 0.000 1.090 426 Y HN -0.050 nan 8.280 nan 0.000 0.526 427 M N 1.819 121.616 119.600 0.330 0.000 2.108 427 M HA -0.089 4.388 4.480 -0.005 0.000 0.261 427 M C -0.796 175.712 176.300 0.347 0.000 1.066 427 M CA 1.767 57.278 55.300 0.352 0.000 1.107 427 M CB -1.264 31.597 32.600 0.436 0.000 1.356 427 M HN -0.070 nan 8.290 nan 0.000 0.406 428 P HA -0.189 nan 4.420 nan 0.000 0.217 428 P C 1.553 178.956 177.300 0.170 0.000 1.148 428 P CA 1.601 64.843 63.100 0.236 0.000 0.828 428 P CB -0.169 31.634 31.700 0.172 0.000 0.783 429 L N -1.339 119.994 121.223 0.183 0.000 2.145 429 L HA 0.025 4.362 4.340 -0.005 0.000 0.201 429 L C 2.822 179.777 176.870 0.142 0.000 1.075 429 L CA 0.592 55.514 54.840 0.137 0.000 0.773 429 L CB -0.770 41.384 42.059 0.159 0.000 0.936 429 L HN -0.148 nan 8.230 nan 0.000 0.451 430 L N -0.239 121.100 121.223 0.195 0.000 2.261 430 L HA -0.204 4.133 4.340 -0.005 0.000 0.216 430 L C 2.647 179.662 176.870 0.242 0.000 1.114 430 L CA 0.811 55.766 54.840 0.193 0.000 0.777 430 L CB -0.523 41.659 42.059 0.204 0.000 0.910 430 L HN 0.263 nan 8.230 nan 0.000 0.440 431 A N 0.195 123.194 122.820 0.298 0.000 1.821 431 A HA -0.094 4.223 4.320 -0.005 0.000 0.215 431 A C 2.366 180.078 177.584 0.214 0.000 1.214 431 A CA 1.427 53.734 52.037 0.449 0.000 0.608 431 A CB -1.465 17.893 19.000 0.598 0.000 0.862 431 A HN 0.375 nan 8.150 nan 0.000 0.448 432 G N -0.923 107.809 108.800 -0.113 0.000 2.499 432 G HA2 -0.189 3.768 3.960 -0.005 0.000 0.221 432 G HA3 -0.189 3.768 3.960 -0.005 0.000 0.221 432 G C 1.237 176.104 174.900 -0.055 0.000 1.109 432 G CA 1.013 45.957 45.100 -0.260 0.000 0.749 432 G HN 0.681 nan 8.290 nan 0.000 0.568 433 Q N -0.720 119.102 119.800 0.036 0.000 2.212 433 Q HA 0.484 4.821 4.340 -0.005 0.000 0.213 433 Q C 0.435 176.490 176.000 0.091 0.000 0.874 433 Q CA -0.067 55.766 55.803 0.050 0.000 0.965 433 Q CB 0.346 29.114 28.738 0.050 0.000 1.074 433 Q HN 0.401 nan 8.270 nan 0.000 0.473 434 L N -0.799 120.519 121.223 0.159 0.000 3.584 434 L HA 0.270 4.607 4.340 -0.005 0.000 0.354 434 L C 0.394 177.443 176.870 0.299 0.000 1.345 434 L CA -0.452 54.520 54.840 0.220 0.000 0.970 434 L CB 0.779 43.091 42.059 0.422 0.000 1.374 434 L HN 0.313 nan 8.230 nan 0.000 0.612 435 G N 0.441 109.374 108.800 0.222 0.000 2.894 435 G HA2 -0.252 3.704 3.960 -0.005 0.000 0.247 435 G HA3 -0.252 3.704 3.960 -0.005 0.000 0.247 435 G C 0.399 175.510 174.900 0.351 0.000 1.442 435 G CA 0.039 45.279 45.100 0.232 0.000 0.897 435 G HN -0.008 nan 8.290 nan 0.000 0.550 436 V N 0.361 120.385 119.914 0.183 0.000 2.685 436 V HA 0.051 4.168 4.120 -0.005 0.000 0.244 436 V C 2.720 178.710 176.094 -0.174 0.000 1.054 436 V CA 2.341 64.472 62.300 -0.281 0.000 1.076 436 V CB -0.190 31.367 31.823 -0.443 0.000 0.725 436 V HN 0.971 nan 8.190 nan 0.000 0.467 437 E N 0.117 120.333 120.200 0.027 0.000 2.072 437 E HA -0.278 4.069 4.350 -0.005 0.000 0.191 437 E C 2.169 178.867 176.600 0.163 0.000 0.985 437 E CA 1.932 58.388 56.400 0.094 0.000 0.801 437 E CB -1.206 28.555 29.700 0.102 0.000 0.750 437 E HN 0.546 nan 8.360 nan 0.000 0.452 438 F N 1.468 121.461 119.950 0.071 0.000 2.095 438 F HA -0.161 4.363 4.527 -0.006 0.000 0.298 438 F C 2.200 178.067 175.800 0.110 0.000 1.104 438 F CA 1.371 59.416 58.000 0.076 0.000 1.232 438 F CB -0.663 38.380 39.000 0.072 0.000 0.987 438 F HN 0.035 nan 8.300 nan 0.000 0.475 439 F N 1.484 121.359 119.950 -0.124 0.000 2.095 439 F HA -0.218 4.306 4.527 -0.004 0.000 0.298 439 F C 2.377 178.086 175.800 -0.152 0.000 1.104 439 F CA 2.193 60.077 58.000 -0.193 0.000 1.232 439 F CB -0.957 37.955 39.000 -0.147 0.000 0.987 439 F HN -0.000 nan 8.300 nan 0.000 0.475 440 D N 0.042 120.638 120.400 0.326 0.000 2.087 440 D HA -0.245 4.392 4.640 -0.005 0.000 0.192 440 D C 1.708 178.051 176.300 0.071 0.000 0.993 440 D CA 1.696 55.849 54.000 0.255 0.000 0.828 440 D CB -0.564 40.364 40.800 0.213 0.000 0.968 440 D HN 0.450 nan 8.370 nan 0.000 0.448 441 E N -0.055 120.153 120.200 0.014 0.000 2.438 441 E HA -0.080 4.267 4.350 -0.005 0.000 0.192 441 E C 0.694 177.214 176.600 -0.134 0.000 1.110 441 E CA 0.354 56.735 56.400 -0.031 0.000 0.893 441 E CB 0.211 29.922 29.700 0.020 0.000 0.990 441 E HN 0.030 nan 8.360 nan 0.000 0.490 442 K N -1.299 118.944 120.400 -0.261 0.000 2.997 442 K HA 0.061 4.377 4.320 -0.005 0.000 0.259 442 K C 0.946 177.280 176.600 -0.444 0.000 2.334 442 K CA -0.152 55.896 56.287 -0.398 0.000 1.377 442 K CB -0.419 31.636 32.500 -0.740 0.000 2.602 442 K HN -0.034 nan 8.250 nan 0.000 0.425 443 L N 2.915 123.740 121.223 -0.663 0.000 2.675 443 L HA 0.087 4.424 4.340 -0.005 0.000 0.238 443 L C 1.465 177.803 176.870 -0.887 0.000 1.155 443 L CA 1.058 55.407 54.840 -0.818 0.000 0.881 443 L CB -1.229 40.186 42.059 -1.073 0.000 1.008 443 L HN 0.314 nan 8.230 nan 0.000 0.443 444 N N -1.007 117.477 118.700 -0.360 0.000 2.409 444 N HA -0.117 4.619 4.740 -0.005 0.000 0.174 444 N C 2.070 177.516 175.510 -0.106 0.000 1.037 444 N CA 0.896 53.983 53.050 0.063 0.000 0.898 444 N CB 0.248 38.898 38.487 0.272 0.000 1.010 444 N HN 0.279 nan 8.380 nan 0.000 0.445 445 S N -0.269 115.318 115.700 -0.187 0.000 2.383 445 S HA -0.078 4.389 4.470 -0.005 0.000 0.227 445 S C 1.715 176.144 174.600 -0.286 0.000 1.026 445 S CA 0.732 58.817 58.200 -0.191 0.000 0.981 445 S CB -0.381 62.718 63.200 -0.169 0.000 0.818 445 S HN 0.153 nan 8.310 nan 0.000 0.472 446 L N 0.962 121.935 121.223 -0.417 0.000 2.095 446 L HA 0.209 4.546 4.340 -0.005 0.000 0.204 446 L C 2.801 179.044 176.870 -1.045 0.000 1.080 446 L CA 0.789 55.225 54.840 -0.673 0.000 0.759 446 L CB -1.223 40.439 42.059 -0.662 0.000 0.914 446 L HN 0.455 nan 8.230 nan 0.000 0.439 447 C N -0.571 118.274 119.300 -0.759 0.000 2.437 447 C HA -0.087 4.370 4.460 -0.005 0.000 0.283 447 C C 2.578 177.441 174.990 -0.210 0.000 1.424 447 C CA 0.620 59.334 59.018 -0.505 0.000 1.782 447 C CB -0.615 27.143 27.740 0.031 0.000 1.833 447 C HN 0.430 nan 8.230 nan 0.000 0.532 448 M N -0.584 118.882 119.600 -0.224 0.000 2.492 448 M HA 0.132 4.609 4.480 -0.005 0.000 0.255 448 M C 2.241 178.463 176.300 -0.130 0.000 1.139 448 M CA 0.828 56.055 55.300 -0.122 0.000 1.096 448 M CB -1.021 31.516 32.600 -0.105 0.000 1.360 448 M HN 0.380 nan 8.290 nan 0.000 0.480 449 A N -0.713 121.970 122.820 -0.227 0.000 1.975 449 A HA -0.082 4.235 4.320 -0.005 0.000 0.215 449 A C 1.670 179.243 177.584 -0.019 0.000 1.170 449 A CA 0.512 52.455 52.037 -0.157 0.000 0.656 449 A CB -0.622 18.252 19.000 -0.212 0.000 0.821 449 A HN 0.530 nan 8.150 nan 0.000 0.449 450 W N 0.258 121.527 121.300 -0.051 0.000 2.392 450 W HA -0.001 4.656 4.660 -0.006 0.000 0.279 450 W C 1.553 178.022 176.519 -0.084 0.000 1.225 450 W CA 0.361 57.673 57.345 -0.055 0.000 1.233 450 W CB -1.037 28.411 29.460 -0.021 0.000 1.122 450 W HN 0.261 nan 8.180 nan 0.000 0.561 451 L N -0.126 121.172 121.223 0.124 0.000 2.551 451 L HA -0.057 4.280 4.340 -0.005 0.000 0.228 451 L C 1.566 178.377 176.870 -0.099 0.000 1.153 451 L CA 0.511 55.363 54.840 0.020 0.000 0.851 451 L CB -0.394 41.673 42.059 0.013 0.000 0.959 451 L HN -0.250 nan 8.230 nan 0.000 0.451 452 V N -1.287 118.533 119.914 -0.157 0.000 2.988 452 V HA 0.168 4.285 4.120 -0.005 0.000 0.356 452 V C 0.250 176.151 176.094 -0.322 0.000 1.380 452 V CA -0.372 61.658 62.300 -0.449 0.000 1.184 452 V CB 0.134 31.762 31.823 -0.325 0.000 1.204 452 V HN 0.171 nan 8.190 nan 0.000 0.530 453 D N -0.255 120.077 120.400 -0.113 0.000 2.372 453 D HA 0.073 4.710 4.640 -0.005 0.000 0.243 453 D C 0.917 177.275 176.300 0.096 0.000 1.121 453 D CA 0.015 54.008 54.000 -0.011 0.000 0.898 453 D CB 1.022 41.840 40.800 0.030 0.000 1.202 453 D HN 0.573 nan 8.370 nan 0.000 0.428 454 H N 0.893 119.990 119.070 0.045 0.000 2.353 454 H HA -0.054 4.499 4.556 -0.005 0.000 0.300 454 H C 0.559 175.895 175.328 0.013 0.000 1.090 454 H CA 0.254 56.346 56.048 0.074 0.000 1.327 454 H CB 0.377 30.177 29.762 0.063 0.000 1.383 454 H HN 0.092 nan 8.280 nan 0.000 0.508 455 V N 2.384 122.339 119.914 0.068 0.000 2.405 455 V HA -0.137 3.980 4.120 -0.005 0.000 0.264 455 V C 0.825 176.857 176.094 -0.103 0.000 1.048 455 V CA 0.120 62.346 62.300 -0.124 0.000 0.966 455 V CB 0.178 31.785 31.823 -0.359 0.000 1.015 455 V HN 0.356 nan 8.190 nan 0.000 0.477 456 Y N 5.735 125.922 120.300 -0.188 0.000 2.241 456 Y HA -0.299 4.248 4.550 -0.005 0.000 0.286 456 Y C 2.146 177.929 175.900 -0.194 0.000 1.166 456 Y CA 2.084 60.093 58.100 -0.152 0.000 1.203 456 Y CB -0.054 38.324 38.460 -0.137 0.000 0.977 456 Y HN 0.628 nan 8.280 nan 0.000 0.529 457 A N 0.322 123.071 122.820 -0.120 0.000 1.902 457 A HA -0.142 4.175 4.320 -0.005 0.000 0.217 457 A C 2.149 179.627 177.584 -0.177 0.000 1.181 457 A CA 1.812 53.746 52.037 -0.171 0.000 0.623 457 A CB -0.822 17.951 19.000 -0.378 0.000 0.818 457 A HN 0.474 nan 8.150 nan 0.000 0.443 458 I N -0.204 120.255 120.570 -0.186 0.000 2.252 458 I HA -0.157 4.010 4.170 -0.005 0.000 0.245 458 I C 2.554 178.582 176.117 -0.148 0.000 1.102 458 I CA 1.216 62.433 61.300 -0.138 0.000 1.385 458 I CB -1.258 36.678 38.000 -0.107 0.000 1.064 458 I HN 0.365 nan 8.210 nan 0.000 0.414 459 R N 0.579 120.976 120.500 -0.172 0.000 2.070 459 R HA -0.210 4.127 4.340 -0.005 0.000 0.233 459 R C 2.151 178.310 176.300 -0.236 0.000 1.137 459 R CA 1.627 57.629 56.100 -0.163 0.000 0.945 459 R CB -0.458 29.727 30.300 -0.193 0.000 0.845 459 R HN 0.419 nan 8.270 nan 0.000 0.430 460 E N 0.878 120.812 120.200 -0.444 0.000 2.118 460 E HA -0.175 4.172 4.350 -0.005 0.000 0.195 460 E C 1.687 178.167 176.600 -0.200 0.000 0.992 460 E CA 1.333 57.476 56.400 -0.428 0.000 0.804 460 E CB -0.007 29.343 29.700 -0.583 0.000 0.741 460 E HN 0.378 nan 8.360 nan 0.000 0.458 461 A N 0.192 122.922 122.820 -0.151 0.000 2.123 461 A HA 0.256 4.573 4.320 -0.005 0.000 0.214 461 A C 2.108 179.665 177.584 -0.045 0.000 1.152 461 A CA 0.958 52.942 52.037 -0.088 0.000 0.728 461 A CB -0.146 18.801 19.000 -0.088 0.000 0.814 461 A HN 0.375 nan 8.150 nan 0.000 0.464 462 A N -1.521 121.290 122.820 -0.014 0.000 2.147 462 A HA 0.189 4.506 4.320 -0.005 0.000 0.211 462 A C 2.051 179.711 177.584 0.127 0.000 1.160 462 A CA 1.498 53.620 52.037 0.141 0.000 0.781 462 A CB -0.438 18.728 19.000 0.275 0.000 0.842 462 A HN 0.327 nan 8.150 nan 0.000 0.475 463 T N 0.723 115.301 114.554 0.039 0.000 2.671 463 T HA -0.102 4.245 4.350 -0.005 0.000 0.250 463 T C 2.291 177.020 174.700 0.048 0.000 1.068 463 T CA 1.944 64.067 62.100 0.038 0.000 1.177 463 T CB -0.470 68.394 68.868 -0.006 0.000 0.876 463 T HN 0.690 nan 8.240 nan 0.000 0.405 464 S N 2.561 118.270 115.700 0.014 0.000 2.461 464 S HA -0.212 4.255 4.470 -0.005 0.000 0.246 464 S C 1.812 176.449 174.600 0.061 0.000 1.007 464 S CA 1.320 59.536 58.200 0.026 0.000 0.976 464 S CB -0.794 62.405 63.200 -0.002 0.000 0.763 464 S HN 0.570 nan 8.310 nan 0.000 0.508 465 N N 1.648 120.401 118.700 0.088 0.000 2.300 465 N HA -0.004 4.733 4.740 -0.005 0.000 0.179 465 N C 1.709 177.324 175.510 0.176 0.000 1.016 465 N CA 0.826 53.961 53.050 0.141 0.000 0.876 465 N CB -0.234 38.369 38.487 0.193 0.000 0.979 465 N HN 0.463 nan 8.380 nan 0.000 0.432 466 L N 1.333 122.648 121.223 0.153 0.000 1.994 466 L HA -0.174 4.163 4.340 -0.005 0.000 0.208 466 L C 2.787 179.738 176.870 0.135 0.000 1.071 466 L CA 1.357 56.283 54.840 0.145 0.000 0.745 466 L CB -0.707 41.405 42.059 0.089 0.000 0.892 466 L HN 0.252 nan 8.230 nan 0.000 0.431 467 K N 0.728 121.190 120.400 0.104 0.000 2.015 467 K HA -0.228 4.089 4.320 -0.005 0.000 0.216 467 K C 1.754 178.422 176.600 0.112 0.000 1.052 467 K CA 1.681 58.025 56.287 0.094 0.000 0.937 467 K CB 0.005 32.548 32.500 0.072 0.000 0.719 467 K HN 0.071 nan 8.250 nan 0.000 0.446 468 K N 0.806 121.273 120.400 0.112 0.000 2.589 468 K HA -0.028 4.289 4.320 -0.005 0.000 0.192 468 K C 1.270 177.962 176.600 0.154 0.000 1.029 468 K CA 0.432 56.785 56.287 0.111 0.000 1.031 468 K CB 0.030 32.586 32.500 0.094 0.000 0.821 468 K HN 0.355 nan 8.250 nan 0.000 0.502 469 L N 0.188 121.538 121.223 0.212 0.000 2.857 469 L HA 0.079 4.416 4.340 -0.005 0.000 0.249 469 L C 0.838 177.968 176.870 0.433 0.000 1.172 469 L CA 0.008 55.042 54.840 0.323 0.000 0.980 469 L CB 0.575 42.847 42.059 0.355 0.000 1.299 469 L HN -0.195 nan 8.230 nan 0.000 0.535 470 V N -1.578 118.515 119.914 0.297 0.000 3.251 470 V HA 0.038 4.155 4.120 -0.005 0.000 0.239 470 V C 1.685 177.896 176.094 0.195 0.000 1.332 470 V CA 0.212 62.704 62.300 0.319 0.000 1.224 470 V CB 0.766 32.724 31.823 0.226 0.000 1.004 470 V HN 0.273 nan 8.190 nan 0.000 0.464 471 E N 0.804 121.078 120.200 0.124 0.000 2.472 471 E HA -0.175 4.172 4.350 -0.005 0.000 0.200 471 E C 1.363 177.976 176.600 0.021 0.000 1.046 471 E CA 0.655 57.096 56.400 0.068 0.000 0.871 471 E CB 0.131 29.863 29.700 0.053 0.000 0.806 471 E HN 0.262 nan 8.360 nan 0.000 0.533 472 K N -0.661 119.743 120.400 0.006 0.000 2.564 472 K HA 0.151 4.468 4.320 -0.005 0.000 0.205 472 K C -0.569 175.777 176.600 -0.424 0.000 1.053 472 K CA -0.051 56.126 56.287 -0.184 0.000 1.072 472 K CB 0.406 32.800 32.500 -0.178 0.000 0.822 472 K HN -0.071 nan 8.250 nan 0.000 0.497 473 F N -0.800 119.126 119.950 -0.039 0.000 3.126 473 F HA 0.297 4.821 4.527 -0.005 0.000 0.327 473 F C 0.090 175.916 175.800 0.043 0.000 1.284 473 F CA -0.045 57.881 58.000 -0.124 0.000 0.906 473 F CB 0.983 39.750 39.000 -0.388 0.000 1.599 473 F HN 0.126 nan 8.300 nan 0.000 0.490 474 G N 1.906 110.837 108.800 0.218 0.000 2.854 474 G HA2 -0.293 3.664 3.960 -0.005 0.000 0.686 474 G HA3 -0.293 3.664 3.960 -0.005 0.000 0.686 474 G C 0.762 175.794 174.900 0.219 0.000 1.202 474 G CA -0.053 45.158 45.100 0.187 0.000 0.878 474 G HN 0.591 nan 8.290 nan 0.000 0.583 475 K N 0.434 120.920 120.400 0.143 0.000 2.519 475 K HA -0.023 4.294 4.320 -0.005 0.000 0.196 475 K C 1.420 178.090 176.600 0.116 0.000 1.041 475 K CA 1.805 58.163 56.287 0.118 0.000 0.954 475 K CB 0.170 32.712 32.500 0.070 0.000 0.774 475 K HN 0.450 nan 8.250 nan 0.000 0.480 476 E N 0.583 120.869 120.200 0.144 0.000 2.060 476 E HA -0.126 4.221 4.350 -0.005 0.000 0.189 476 E C 1.439 178.152 176.600 0.187 0.000 0.974 476 E CA 0.741 57.222 56.400 0.135 0.000 0.808 476 E CB -0.386 29.386 29.700 0.121 0.000 0.768 476 E HN 0.557 nan 8.360 nan 0.000 0.453 477 W N 2.261 123.578 121.300 0.028 0.000 2.421 477 W HA -0.094 4.563 4.660 -0.005 0.000 0.270 477 W C 2.015 178.512 176.519 -0.037 0.000 1.233 477 W CA 1.730 59.059 57.345 -0.026 0.000 1.226 477 W CB -0.148 29.266 29.460 -0.077 0.000 1.121 477 W HN 0.042 nan 8.180 nan 0.000 0.579 478 A N -1.218 121.582 122.820 -0.033 0.000 2.015 478 A HA -0.216 4.101 4.320 -0.005 0.000 0.219 478 A C 1.598 179.087 177.584 -0.158 0.000 1.163 478 A CA 1.903 53.831 52.037 -0.182 0.000 0.646 478 A CB -0.989 18.006 19.000 -0.008 0.000 0.806 478 A HN 0.537 nan 8.150 nan 0.000 0.448 479 H N -1.054 117.930 119.070 -0.144 0.000 2.562 479 H HA 0.442 4.995 4.556 -0.005 0.000 0.267 479 H C 1.951 177.203 175.328 -0.126 0.000 0.959 479 H CA 0.830 56.820 56.048 -0.097 0.000 1.204 479 H CB 0.033 29.773 29.762 -0.037 0.000 1.430 479 H HN 0.399 nan 8.280 nan 0.000 0.545 480 A N -0.561 122.165 122.820 -0.156 0.000 1.824 480 A HA -0.009 4.308 4.320 -0.005 0.000 0.215 480 A C 1.398 178.805 177.584 -0.295 0.000 1.244 480 A CA 1.547 53.474 52.037 -0.183 0.000 0.604 480 A CB -0.550 18.394 19.000 -0.094 0.000 0.900 480 A HN 0.399 nan 8.150 nan 0.000 0.455 481 T N -0.309 113.947 114.554 -0.496 0.000 3.327 481 T HA 0.621 4.967 4.350 -0.005 0.000 0.244 481 T C 0.323 174.689 174.700 -0.556 0.000 1.074 481 T CA -0.026 61.815 62.100 -0.430 0.000 1.156 481 T CB -0.121 68.573 68.868 -0.291 0.000 1.087 481 T HN 0.363 nan 8.240 nan 0.000 0.575 482 I N -0.737 119.539 120.570 -0.491 0.000 3.357 482 I HA 0.251 4.418 4.170 -0.005 0.000 0.267 482 I C 1.635 177.602 176.117 -0.250 0.000 1.061 482 I CA -0.372 60.678 61.300 -0.415 0.000 1.727 482 I CB 0.125 37.813 38.000 -0.520 0.000 1.756 482 I HN 0.120 nan 8.210 nan 0.000 0.402 483 I N 2.282 122.721 120.570 -0.218 0.000 2.423 483 I HA -0.157 4.010 4.170 -0.005 0.000 0.254 483 I C -0.789 175.237 176.117 -0.151 0.000 1.151 483 I CA 1.413 62.628 61.300 -0.142 0.000 1.421 483 I CB -1.428 36.524 38.000 -0.081 0.000 1.079 483 I HN 0.201 nan 8.210 nan 0.000 0.431 484 P HA -0.181 nan 4.420 nan 0.000 0.215 484 P C 1.457 178.677 177.300 -0.133 0.000 1.153 484 P CA 1.584 64.577 63.100 -0.177 0.000 0.853 484 P CB 0.031 31.617 31.700 -0.190 0.000 0.788 485 K N -0.889 119.433 120.400 -0.129 0.000 2.067 485 K HA -0.003 4.314 4.320 -0.005 0.000 0.203 485 K C 1.902 178.453 176.600 -0.081 0.000 1.048 485 K CA 0.868 57.095 56.287 -0.100 0.000 0.954 485 K CB -0.812 31.627 32.500 -0.102 0.000 0.737 485 K HN -0.075 nan 8.250 nan 0.000 0.444 486 V N 2.170 122.034 119.914 -0.083 0.000 2.660 486 V HA -0.231 3.886 4.120 -0.005 0.000 0.257 486 V C 1.966 178.028 176.094 -0.052 0.000 1.088 486 V CA 1.582 63.847 62.300 -0.058 0.000 1.106 486 V CB -0.523 31.268 31.823 -0.053 0.000 0.686 486 V HN 0.287 nan 8.190 nan 0.000 0.481 487 L N -0.545 120.640 121.223 -0.063 0.000 2.375 487 L HA 0.125 4.462 4.340 -0.005 0.000 0.215 487 L C 2.584 179.421 176.870 -0.055 0.000 1.108 487 L CA 0.862 55.667 54.840 -0.059 0.000 0.830 487 L CB -0.588 41.428 42.059 -0.071 0.000 0.959 487 L HN 0.301 nan 8.230 nan 0.000 0.457 488 A N -0.031 122.754 122.820 -0.058 0.000 1.969 488 A HA -0.162 4.155 4.320 -0.005 0.000 0.218 488 A C 2.268 179.835 177.584 -0.029 0.000 1.169 488 A CA 1.228 53.237 52.037 -0.047 0.000 0.635 488 A CB -0.379 18.591 19.000 -0.051 0.000 0.810 488 A HN 0.320 nan 8.150 nan 0.000 0.445 489 M N 0.632 120.216 119.600 -0.026 0.000 2.460 489 M HA -0.113 4.364 4.480 -0.005 0.000 0.263 489 M C 2.106 178.404 176.300 -0.005 0.000 1.071 489 M CA 1.404 56.701 55.300 -0.006 0.000 1.096 489 M CB -0.336 32.258 32.600 -0.010 0.000 1.408 489 M HN 0.648 nan 8.290 nan 0.000 0.463 490 S N -0.745 114.940 115.700 -0.023 0.000 2.555 490 S HA -0.002 4.465 4.470 -0.005 0.000 0.230 490 S C 1.649 176.238 174.600 -0.019 0.000 0.978 490 S CA 0.845 59.028 58.200 -0.029 0.000 0.934 490 S CB -0.500 62.677 63.200 -0.039 0.000 0.766 490 S HN 0.529 nan 8.310 nan 0.000 0.533 491 G N 0.561 109.354 108.800 -0.012 0.000 2.887 491 G HA2 0.081 4.038 3.960 -0.005 0.000 0.211 491 G HA3 0.081 4.038 3.960 -0.005 0.000 0.211 491 G C 0.151 175.055 174.900 0.006 0.000 1.152 491 G CA -0.226 44.870 45.100 -0.008 0.000 0.769 491 G HN 0.499 nan 8.290 nan 0.000 0.541 492 D N 1.719 122.133 120.400 0.024 0.000 2.487 492 D HA 0.027 4.664 4.640 -0.005 0.000 0.243 492 D C -1.022 175.294 176.300 0.026 0.000 1.154 492 D CA -1.281 52.748 54.000 0.049 0.000 0.876 492 D CB 1.887 42.756 40.800 0.115 0.000 1.161 492 D HN 0.109 nan 8.370 nan 0.000 0.478 493 P HA -0.099 nan 4.420 nan 0.000 0.236 493 P C 0.108 177.399 177.300 -0.014 0.000 1.172 493 P CA 0.306 63.402 63.100 -0.006 0.000 0.759 493 P CB 0.239 31.933 31.700 -0.011 0.000 0.843 494 N N 0.378 119.058 118.700 -0.034 0.000 2.417 494 N HA 0.012 4.749 4.740 -0.005 0.000 0.274 494 N C 1.000 176.551 175.510 0.068 0.000 0.987 494 N CA -0.556 52.471 53.050 -0.040 0.000 0.912 494 N CB 1.045 39.339 38.487 -0.322 0.000 1.177 494 N HN -0.128 nan 8.380 nan 0.000 0.490 495 Y N 4.114 124.364 120.300 -0.082 0.000 2.465 495 Y HA -0.062 4.485 4.550 -0.005 0.000 0.289 495 Y C 1.237 177.123 175.900 -0.024 0.000 1.150 495 Y CA 0.896 58.958 58.100 -0.064 0.000 1.293 495 Y CB -0.452 37.964 38.460 -0.074 0.000 0.977 495 Y HN 0.491 nan 8.280 nan 0.000 0.556 496 L N 0.021 121.017 121.223 -0.377 0.000 1.993 496 L HA -0.151 4.186 4.340 -0.005 0.000 0.206 496 L C 2.646 179.532 176.870 0.028 0.000 1.074 496 L CA 1.675 56.315 54.840 -0.334 0.000 0.746 496 L CB -0.981 40.977 42.059 -0.167 0.000 0.896 496 L HN 0.275 nan 8.230 nan 0.000 0.435 497 H N -0.552 118.487 119.070 -0.051 0.000 2.457 497 H HA -0.157 4.396 4.556 -0.005 0.000 0.297 497 H C 2.447 177.752 175.328 -0.038 0.000 1.092 497 H CA 0.771 56.810 56.048 -0.015 0.000 1.309 497 H CB 0.147 29.916 29.762 0.013 0.000 1.382 497 H HN 0.251 nan 8.280 nan 0.000 0.535 498 R N 0.328 120.866 120.500 0.064 0.000 2.055 498 R HA -0.015 4.322 4.340 -0.005 0.000 0.226 498 R C 2.476 178.705 176.300 -0.119 0.000 1.135 498 R CA 0.856 56.946 56.100 -0.017 0.000 0.959 498 R CB -0.003 30.290 30.300 -0.011 0.000 0.854 498 R HN 0.212 nan 8.270 nan 0.000 0.431 499 M N 0.078 119.563 119.600 -0.192 0.000 2.195 499 M HA -0.201 4.276 4.480 -0.005 0.000 0.260 499 M C 1.823 177.802 176.300 -0.535 0.000 1.066 499 M CA 1.618 56.654 55.300 -0.442 0.000 1.089 499 M CB -0.369 31.984 32.600 -0.412 0.000 1.377 499 M HN 0.213 nan 8.290 nan 0.000 0.411 500 T N 0.001 114.491 114.554 -0.107 0.000 2.803 500 T HA -0.134 4.213 4.350 -0.005 0.000 0.269 500 T C 1.703 176.405 174.700 0.003 0.000 1.052 500 T CA 1.822 63.977 62.100 0.092 0.000 1.136 500 T CB -0.348 68.563 68.868 0.071 0.000 0.864 500 T HN 0.456 nan 8.240 nan 0.000 0.467 501 T N 2.368 116.873 114.554 -0.081 0.000 2.701 501 T HA 0.068 4.415 4.350 -0.005 0.000 0.263 501 T C 1.978 176.620 174.700 -0.097 0.000 1.040 501 T CA 0.866 62.925 62.100 -0.069 0.000 1.147 501 T CB -0.432 68.393 68.868 -0.071 0.000 0.865 501 T HN 0.286 nan 8.240 nan 0.000 0.426 502 L N -0.065 121.030 121.223 -0.214 0.000 2.131 502 L HA -0.065 4.272 4.340 -0.005 0.000 0.210 502 L C 2.340 179.134 176.870 -0.126 0.000 1.092 502 L CA 1.170 55.880 54.840 -0.217 0.000 0.759 502 L CB -0.702 41.152 42.059 -0.343 0.000 0.903 502 L HN 0.199 nan 8.230 nan 0.000 0.435 503 F N -0.398 119.538 119.950 -0.022 0.000 2.186 503 F HA -0.167 4.357 4.527 -0.005 0.000 0.299 503 F C 2.619 178.408 175.800 -0.018 0.000 1.090 503 F CA 0.563 58.550 58.000 -0.022 0.000 1.307 503 F CB -1.355 37.620 39.000 -0.042 0.000 1.019 503 F HN 0.134 nan 8.300 nan 0.000 0.489 504 C N -0.040 119.350 119.300 0.149 0.000 2.440 504 C HA -0.103 4.354 4.460 -0.005 0.000 0.278 504 C C 2.898 177.924 174.990 0.060 0.000 1.295 504 C CA 0.304 59.372 59.018 0.084 0.000 1.738 504 C CB -1.154 26.612 27.740 0.043 0.000 1.987 504 C HN 0.387 nan 8.230 nan 0.000 0.492 505 I N 1.770 122.365 120.570 0.043 0.000 2.163 505 I HA -0.178 3.989 4.170 -0.005 0.000 0.240 505 I C 1.947 178.094 176.117 0.050 0.000 1.081 505 I CA 1.542 62.862 61.300 0.033 0.000 1.353 505 I CB -0.686 37.322 38.000 0.012 0.000 1.054 505 I HN 0.312 nan 8.210 nan 0.000 0.407 506 N N 0.314 119.055 118.700 0.068 0.000 2.405 506 N HA -0.148 4.589 4.740 -0.005 0.000 0.189 506 N C 1.417 176.972 175.510 0.075 0.000 1.021 506 N CA 0.981 54.080 53.050 0.081 0.000 0.891 506 N CB -0.278 38.287 38.487 0.129 0.000 0.955 506 N HN 0.237 nan 8.380 nan 0.000 0.443 507 V N -0.419 119.538 119.914 0.073 0.000 3.048 507 V HA 0.131 4.248 4.120 -0.005 0.000 0.241 507 V C 1.833 177.959 176.094 0.053 0.000 1.129 507 V CA 0.315 62.652 62.300 0.061 0.000 1.128 507 V CB 0.039 31.899 31.823 0.062 0.000 0.849 507 V HN 0.167 nan 8.190 nan 0.000 0.475 508 L N 1.101 122.353 121.223 0.049 0.000 2.376 508 L HA -0.080 4.257 4.340 -0.005 0.000 0.219 508 L C 2.600 179.494 176.870 0.041 0.000 1.133 508 L CA 1.442 56.308 54.840 0.043 0.000 0.816 508 L CB -0.543 41.535 42.059 0.033 0.000 0.933 508 L HN 0.540 nan 8.230 nan 0.000 0.449 509 S N -0.531 115.193 115.700 0.040 0.000 2.387 509 S HA -0.173 4.294 4.470 -0.005 0.000 0.226 509 S C 1.643 176.264 174.600 0.034 0.000 1.026 509 S CA 0.735 58.955 58.200 0.034 0.000 0.972 509 S CB -0.302 62.919 63.200 0.034 0.000 0.814 509 S HN 0.457 nan 8.310 nan 0.000 0.477 510 E N 1.074 121.297 120.200 0.038 0.000 2.219 510 E HA -0.076 4.271 4.350 -0.005 0.000 0.198 510 E C 0.382 177.005 176.600 0.037 0.000 0.998 510 E CA 1.300 57.722 56.400 0.037 0.000 0.818 510 E CB -0.224 29.500 29.700 0.040 0.000 0.741 510 E HN 0.683 nan 8.360 nan 0.000 0.477 511 V N -3.378 116.561 119.914 0.042 0.000 2.791 511 V HA 0.369 4.486 4.120 -0.005 0.000 0.258 511 V C -0.412 175.712 176.094 0.050 0.000 0.875 511 V CA -0.891 61.436 62.300 0.045 0.000 0.922 511 V CB 0.473 32.328 31.823 0.053 0.000 1.034 511 V HN 0.118 nan 8.190 nan 0.000 0.492 512 C N 2.192 121.516 119.300 0.039 0.000 4.025 512 C HA 0.653 5.110 4.460 -0.005 0.000 0.318 512 C C 1.180 176.181 174.990 0.018 0.000 2.299 512 C CA 0.342 59.383 59.018 0.038 0.000 1.527 512 C CB -0.600 27.164 27.740 0.040 0.000 2.974 512 C HN 2.148 nan 8.230 nan 0.000 0.508 513 G N 1.696 110.505 108.800 0.014 0.000 3.000 513 G HA2 -0.229 3.728 3.960 -0.005 0.000 0.686 513 G HA3 -0.229 3.728 3.960 -0.005 0.000 0.686 513 G C 0.316 175.210 174.900 -0.010 0.000 1.114 513 G CA 0.466 45.566 45.100 -0.000 0.000 0.902 513 G HN 0.620 nan 8.290 nan 0.000 0.564 514 Q N 0.572 120.366 119.800 -0.010 0.000 2.308 514 Q HA -0.194 4.143 4.340 -0.005 0.000 0.209 514 Q C 1.892 177.872 176.000 -0.032 0.000 0.985 514 Q CA 2.023 57.818 55.803 -0.014 0.000 0.881 514 Q CB -0.076 28.656 28.738 -0.010 0.000 0.917 514 Q HN 0.778 nan 8.270 nan 0.000 0.443 515 D N 0.417 120.788 120.400 -0.048 0.000 2.081 515 D HA -0.181 4.456 4.640 -0.005 0.000 0.194 515 D C 1.868 178.099 176.300 -0.115 0.000 0.986 515 D CA 1.672 55.624 54.000 -0.081 0.000 0.837 515 D CB -0.226 40.520 40.800 -0.092 0.000 0.985 515 D HN 0.396 nan 8.370 nan 0.000 0.448 516 I N 0.656 121.149 120.570 -0.129 0.000 2.286 516 I HA -0.228 3.939 4.170 -0.005 0.000 0.248 516 I C 2.530 178.624 176.117 -0.038 0.000 1.115 516 I CA 0.940 62.152 61.300 -0.147 0.000 1.392 516 I CB -0.511 37.425 38.000 -0.107 0.000 1.065 516 I HN 0.072 nan 8.210 nan 0.000 0.418 517 T N 0.365 114.910 114.554 -0.016 0.000 2.622 517 T HA -0.177 4.170 4.350 -0.005 0.000 0.266 517 T C 1.709 176.415 174.700 0.009 0.000 1.047 517 T CA 2.212 64.318 62.100 0.010 0.000 1.159 517 T CB -0.448 68.425 68.868 0.009 0.000 0.863 517 T HN 0.370 nan 8.240 nan 0.000 0.422 518 T N 1.337 115.885 114.554 -0.010 0.000 3.160 518 T HA 0.145 4.492 4.350 -0.005 0.000 0.257 518 T C 1.551 176.238 174.700 -0.021 0.000 1.147 518 T CA 0.434 62.529 62.100 -0.008 0.000 1.064 518 T CB 0.217 69.077 68.868 -0.013 0.000 0.949 518 T HN 0.332 nan 8.240 nan 0.000 0.526 519 K N 1.084 121.453 120.400 -0.052 0.000 2.035 519 K HA 0.069 4.386 4.320 -0.005 0.000 0.213 519 K C 1.489 178.073 176.600 -0.025 0.000 1.027 519 K CA 0.983 57.190 56.287 -0.133 0.000 0.950 519 K CB 0.034 32.364 32.500 -0.284 0.000 0.790 519 K HN 0.383 nan 8.250 nan 0.000 0.448 520 H N -1.241 117.874 119.070 0.075 0.000 2.755 520 H HA 0.211 4.764 4.556 -0.005 0.000 0.273 520 H C 1.448 176.797 175.328 0.035 0.000 1.055 520 H CA -0.203 55.886 56.048 0.069 0.000 1.191 520 H CB 0.741 30.574 29.762 0.117 0.000 1.536 520 H HN 0.162 nan 8.280 nan 0.000 0.529 521 M N 0.043 119.726 119.600 0.140 0.000 2.394 521 M HA -0.031 4.446 4.480 -0.005 0.000 0.266 521 M C 1.664 177.992 176.300 0.047 0.000 1.098 521 M CA 0.670 56.015 55.300 0.075 0.000 1.149 521 M CB 0.379 33.014 32.600 0.058 0.000 1.369 521 M HN 0.232 nan 8.290 nan 0.000 0.450 522 L N 0.827 122.077 121.223 0.046 0.000 2.240 522 L HA 0.088 4.425 4.340 -0.005 0.000 0.211 522 L C -1.130 175.758 176.870 0.030 0.000 1.106 522 L CA 1.495 56.353 54.840 0.030 0.000 0.793 522 L CB -1.296 40.779 42.059 0.025 0.000 0.927 522 L HN 0.007 nan 8.230 nan 0.000 0.446 523 P HA -0.102 nan 4.420 nan 0.000 0.218 523 P C 1.360 178.669 177.300 0.016 0.000 1.148 523 P CA 1.736 64.858 63.100 0.037 0.000 0.822 523 P CB -0.063 31.675 31.700 0.062 0.000 0.784 524 T N -1.050 113.510 114.554 0.010 0.000 2.698 524 T HA -0.083 4.264 4.350 -0.005 0.000 0.260 524 T C 1.884 176.575 174.700 -0.014 0.000 1.044 524 T CA 1.071 63.166 62.100 -0.008 0.000 1.149 524 T CB -1.223 67.635 68.868 -0.016 0.000 0.864 524 T HN -0.141 nan 8.240 nan 0.000 0.419 525 V N 2.033 121.940 119.914 -0.012 0.000 2.370 525 V HA -0.204 3.913 4.120 -0.005 0.000 0.252 525 V C 2.494 178.582 176.094 -0.011 0.000 1.068 525 V CA 1.635 63.925 62.300 -0.017 0.000 1.061 525 V CB -0.873 30.945 31.823 -0.008 0.000 0.656 525 V HN 0.428 nan 8.190 nan 0.000 0.455 526 L N -0.688 120.534 121.223 -0.002 0.000 2.056 526 L HA -0.139 4.198 4.340 -0.005 0.000 0.207 526 L C 2.671 179.539 176.870 -0.003 0.000 1.078 526 L CA 1.851 56.692 54.840 0.002 0.000 0.749 526 L CB -0.640 41.424 42.059 0.008 0.000 0.901 526 L HN 0.211 nan 8.230 nan 0.000 0.433 527 R N 0.392 120.889 120.500 -0.006 0.000 2.115 527 R HA -0.091 4.246 4.340 -0.005 0.000 0.230 527 R C 2.256 178.546 176.300 -0.017 0.000 1.111 527 R CA 1.103 57.197 56.100 -0.010 0.000 0.976 527 R CB -0.057 30.235 30.300 -0.013 0.000 0.870 527 R HN 0.307 nan 8.270 nan 0.000 0.445 528 M N -0.192 119.394 119.600 -0.024 0.000 2.476 528 M HA -0.002 4.475 4.480 -0.005 0.000 0.262 528 M C 2.104 178.385 176.300 -0.032 0.000 1.079 528 M CA 1.045 56.324 55.300 -0.035 0.000 1.104 528 M CB -0.013 32.555 32.600 -0.053 0.000 1.409 528 M HN 0.228 nan 8.290 nan 0.000 0.467 529 A N 0.554 123.363 122.820 -0.019 0.000 2.225 529 A HA 0.007 4.324 4.320 -0.005 0.000 0.215 529 A C 1.988 179.570 177.584 -0.005 0.000 1.164 529 A CA 1.538 53.571 52.037 -0.007 0.000 0.710 529 A CB -0.965 18.038 19.000 0.006 0.000 0.780 529 A HN 0.572 nan 8.150 nan 0.000 0.473 530 G N -1.119 107.674 108.800 -0.011 0.000 3.393 530 G HA2 0.158 4.114 3.960 -0.005 0.000 0.255 530 G HA3 0.158 4.114 3.960 -0.005 0.000 0.255 530 G C 0.031 174.921 174.900 -0.016 0.000 1.097 530 G CA 0.007 45.102 45.100 -0.008 0.000 0.780 530 G HN 0.458 nan 8.290 nan 0.000 0.540 531 D N 1.479 121.865 120.400 -0.025 0.000 2.424 531 D HA 0.053 4.690 4.640 -0.005 0.000 0.244 531 D C -0.724 175.557 176.300 -0.032 0.000 1.134 531 D CA -1.321 52.660 54.000 -0.032 0.000 0.881 531 D CB 2.367 43.139 40.800 -0.046 0.000 1.191 531 D HN 0.042 nan 8.370 nan 0.000 0.445 532 P HA -0.115 nan 4.420 nan 0.000 0.216 532 P C 0.551 177.822 177.300 -0.047 0.000 1.150 532 P CA 0.504 63.583 63.100 -0.034 0.000 0.837 532 P CB 0.223 31.901 31.700 -0.037 0.000 0.786 533 V N 1.274 121.149 119.914 -0.064 0.000 2.427 533 V HA 0.247 4.363 4.120 -0.005 0.000 0.268 533 V C 2.027 178.066 176.094 -0.091 0.000 1.046 533 V CA 0.245 62.489 62.300 -0.093 0.000 0.970 533 V CB 0.172 31.920 31.823 -0.125 0.000 1.001 533 V HN 0.079 nan 8.190 nan 0.000 0.476 534 A N 4.499 127.283 122.820 -0.061 0.000 1.958 534 A HA -0.232 4.085 4.320 -0.005 0.000 0.221 534 A C 1.893 179.310 177.584 -0.278 0.000 1.178 534 A CA 2.428 54.447 52.037 -0.030 0.000 0.642 534 A CB -0.688 18.377 19.000 0.108 0.000 0.816 534 A HN 0.845 nan 8.150 nan 0.000 0.453 535 N N -0.472 118.049 118.700 -0.297 0.000 2.364 535 N HA -0.060 4.677 4.740 -0.005 0.000 0.183 535 N C 1.140 176.226 175.510 -0.707 0.000 1.022 535 N CA 1.338 53.996 53.050 -0.653 0.000 0.883 535 N CB -0.170 38.358 38.487 0.068 0.000 0.965 535 N HN 0.336 nan 8.380 nan 0.000 0.438 536 V N 0.008 119.708 119.914 -0.356 0.000 3.307 536 V HA 0.095 4.212 4.120 -0.005 0.000 0.253 536 V C 1.988 177.923 176.094 -0.264 0.000 1.149 536 V CA 0.716 62.858 62.300 -0.264 0.000 1.112 536 V CB -0.101 31.655 31.823 -0.112 0.000 0.777 536 V HN 0.224 nan 8.190 nan 0.000 0.464 537 R N 0.614 120.965 120.500 -0.247 0.000 2.075 537 R HA -0.033 4.304 4.340 -0.005 0.000 0.226 537 R C 2.265 178.555 176.300 -0.017 0.000 1.114 537 R CA 1.646 57.687 56.100 -0.098 0.000 0.972 537 R CB -0.396 29.896 30.300 -0.013 0.000 0.869 537 R HN 0.689 nan 8.270 nan 0.000 0.437 538 F N 0.010 120.000 119.950 0.067 0.000 2.661 538 F HA 0.166 4.690 4.527 -0.005 0.000 0.298 538 F C 0.982 176.763 175.800 -0.033 0.000 1.137 538 F CA 0.238 58.294 58.000 0.093 0.000 1.454 538 F CB -0.791 38.342 39.000 0.223 0.000 1.103 538 F HN -0.140 nan 8.300 nan 0.000 0.577 539 N N -0.008 118.626 118.700 -0.111 0.000 2.398 539 N HA 0.049 4.786 4.740 -0.005 0.000 0.188 539 N C 1.334 176.792 175.510 -0.087 0.000 1.122 539 N CA 0.143 53.142 53.050 -0.086 0.000 0.866 539 N CB 0.342 38.657 38.487 -0.287 0.000 0.970 539 N HN 0.198 nan 8.380 nan 0.000 0.462 540 V N 0.017 119.901 119.914 -0.049 0.000 2.922 540 V HA 0.123 4.240 4.120 -0.005 0.000 0.242 540 V C 2.031 178.143 176.094 0.031 0.000 1.094 540 V CA 0.948 63.230 62.300 -0.029 0.000 1.106 540 V CB 0.069 31.872 31.823 -0.034 0.000 0.799 540 V HN 0.223 nan 8.190 nan 0.000 0.474 541 A N -0.123 122.748 122.820 0.085 0.000 2.067 541 A HA -0.163 4.154 4.320 -0.005 0.000 0.219 541 A C 2.181 179.839 177.584 0.124 0.000 1.158 541 A CA 1.560 53.672 52.037 0.126 0.000 0.661 541 A CB -0.267 18.857 19.000 0.208 0.000 0.801 541 A HN 0.520 nan 8.150 nan 0.000 0.452 542 K N -0.425 120.032 120.400 0.095 0.000 2.137 542 K HA 0.020 4.337 4.320 -0.005 0.000 0.202 542 K C 2.160 178.795 176.600 0.058 0.000 1.052 542 K CA 1.089 57.412 56.287 0.061 0.000 0.961 542 K CB -0.075 32.412 32.500 -0.023 0.000 0.741 542 K HN 0.371 nan 8.250 nan 0.000 0.452 543 S N 1.631 117.354 115.700 0.039 0.000 2.419 543 S HA -0.084 4.383 4.470 -0.005 0.000 0.235 543 S C 1.848 176.472 174.600 0.039 0.000 1.019 543 S CA 1.034 59.255 58.200 0.034 0.000 0.982 543 S CB -0.183 63.017 63.200 0.001 0.000 0.789 543 S HN 0.190 nan 8.310 nan 0.000 0.490 544 L N 0.867 122.116 121.223 0.043 0.000 2.049 544 L HA -0.019 4.318 4.340 -0.005 0.000 0.203 544 L C 2.699 179.597 176.870 0.046 0.000 1.074 544 L CA 1.066 55.931 54.840 0.041 0.000 0.749 544 L CB -0.634 41.450 42.059 0.041 0.000 0.907 544 L HN 0.288 nan 8.230 nan 0.000 0.439 545 Q N 0.603 120.438 119.800 0.059 0.000 2.368 545 Q HA -0.262 4.075 4.340 -0.005 0.000 0.210 545 Q C 1.919 177.952 176.000 0.055 0.000 0.982 545 Q CA 1.553 57.391 55.803 0.060 0.000 0.884 545 Q CB 0.223 29.010 28.738 0.082 0.000 0.933 545 Q HN 0.230 nan 8.270 nan 0.000 0.460 546 K N 0.782 121.215 120.400 0.055 0.000 2.054 546 K HA -0.036 4.281 4.320 -0.005 0.000 0.207 546 K C 1.868 178.494 176.600 0.044 0.000 1.031 546 K CA 1.300 57.619 56.287 0.053 0.000 0.952 546 K CB -0.444 32.093 32.500 0.061 0.000 0.775 546 K HN 0.323 nan 8.250 nan 0.000 0.447 547 I N -1.095 119.499 120.570 0.041 0.000 2.916 547 I HA 0.071 4.238 4.170 -0.005 0.000 0.267 547 I C 1.735 177.870 176.117 0.029 0.000 1.263 547 I CA 1.129 62.449 61.300 0.034 0.000 1.471 547 I CB -0.970 37.048 38.000 0.031 0.000 1.089 547 I HN 0.214 nan 8.210 nan 0.000 0.468 548 G N 2.816 111.634 108.800 0.030 0.000 2.764 548 G HA2 -0.255 3.702 3.960 -0.005 0.000 0.219 548 G HA3 -0.255 3.702 3.960 -0.005 0.000 0.219 548 G C -0.368 174.545 174.900 0.021 0.000 1.259 548 G CA 1.596 46.711 45.100 0.025 0.000 0.793 548 G HN 0.377 nan 8.290 nan 0.000 0.633 549 P HA -0.111 nan 4.420 nan 0.000 0.216 549 P C 1.949 179.259 177.300 0.017 0.000 1.157 549 P CA 1.008 64.119 63.100 0.019 0.000 0.880 549 P CB -0.165 31.548 31.700 0.020 0.000 0.791 550 I N -1.911 118.670 120.570 0.019 0.000 2.502 550 I HA -0.181 3.986 4.170 -0.005 0.000 0.258 550 I C 1.091 177.216 176.117 0.012 0.000 1.172 550 I CA 0.731 62.041 61.300 0.016 0.000 1.430 550 I CB -0.428 37.584 38.000 0.019 0.000 1.086 550 I HN -0.047 nan 8.210 nan 0.000 0.440 551 L N 1.131 122.361 121.223 0.012 0.000 2.334 551 L HA 0.166 4.502 4.340 -0.005 0.000 0.277 551 L C -0.161 176.714 176.870 0.008 0.000 1.075 551 L CA -0.978 53.867 54.840 0.009 0.000 0.804 551 L CB 0.949 43.015 42.059 0.011 0.000 1.174 551 L HN 0.113 nan 8.230 nan 0.000 0.438 552 D N 0.334 120.737 120.400 0.004 0.000 2.423 552 D HA -0.093 4.544 4.640 -0.005 0.000 0.238 552 D C 0.675 176.978 176.300 0.005 0.000 1.142 552 D CA -0.290 53.712 54.000 0.004 0.000 0.884 552 D CB 0.422 41.223 40.800 0.001 0.000 1.199 552 D HN 0.447 nan 8.370 nan 0.000 0.438 553 N N 0.725 119.428 118.700 0.005 0.000 2.513 553 N HA -0.240 4.497 4.740 -0.005 0.000 0.187 553 N C 1.380 176.893 175.510 0.005 0.000 1.056 553 N CA 1.241 54.294 53.050 0.005 0.000 0.907 553 N CB 0.017 38.507 38.487 0.005 0.000 0.954 553 N HN 0.421 nan 8.380 nan 0.000 0.445 554 S N -1.256 114.446 115.700 0.003 0.000 2.343 554 S HA -0.101 4.366 4.470 -0.005 0.000 0.212 554 S C 1.731 176.333 174.600 0.004 0.000 1.033 554 S CA 1.905 60.107 58.200 0.003 0.000 1.004 554 S CB -0.933 62.268 63.200 0.001 0.000 0.977 554 S HN 0.447 nan 8.310 nan 0.000 0.427 555 T N 3.034 117.591 114.554 0.004 0.000 2.881 555 T HA 0.063 4.410 4.350 -0.005 0.000 0.270 555 T C 1.720 176.425 174.700 0.008 0.000 1.068 555 T CA 1.136 63.239 62.100 0.005 0.000 1.131 555 T CB -0.430 68.441 68.868 0.005 0.000 0.871 555 T HN 0.321 nan 8.240 nan 0.000 0.479 556 L N 0.593 121.820 121.223 0.008 0.000 2.265 556 L HA -0.101 4.236 4.340 -0.005 0.000 0.215 556 L C 2.730 179.606 176.870 0.009 0.000 1.117 556 L CA 0.829 55.675 54.840 0.010 0.000 0.782 556 L CB -0.392 41.673 42.059 0.010 0.000 0.914 556 L HN 0.227 nan 8.230 nan 0.000 0.441 557 Q N -0.886 118.918 119.800 0.008 0.000 2.324 557 Q HA -0.004 4.333 4.340 -0.005 0.000 0.207 557 Q C 2.350 178.354 176.000 0.007 0.000 0.928 557 Q CA 1.128 56.935 55.803 0.007 0.000 0.890 557 Q CB -0.336 28.405 28.738 0.006 0.000 1.001 557 Q HN 0.553 nan 8.270 nan 0.000 0.517 558 S N 2.293 117.997 115.700 0.007 0.000 2.531 558 S HA -0.223 4.244 4.470 -0.005 0.000 0.235 558 S C 1.438 176.043 174.600 0.008 0.000 1.061 558 S CA 1.592 59.796 58.200 0.007 0.000 1.250 558 S CB -0.463 62.741 63.200 0.007 0.000 1.183 558 S HN 0.437 nan 8.310 nan 0.000 0.413 559 E N -0.026 120.180 120.200 0.010 0.000 2.583 559 E HA 0.308 4.655 4.350 -0.005 0.000 0.213 559 E C 1.587 178.195 176.600 0.013 0.000 0.989 559 E CA 0.024 56.430 56.400 0.011 0.000 0.991 559 E CB 0.557 30.263 29.700 0.011 0.000 1.040 559 E HN 0.335 nan 8.360 nan 0.000 0.481 560 V N 1.595 121.516 119.914 0.013 0.000 2.323 560 V HA -0.203 3.914 4.120 -0.005 0.000 0.244 560 V C 2.302 178.406 176.094 0.017 0.000 1.041 560 V CA 1.773 64.083 62.300 0.016 0.000 1.025 560 V CB -0.146 31.686 31.823 0.016 0.000 0.656 560 V HN 0.141 nan 8.190 nan 0.000 0.451 561 K N -0.094 120.314 120.400 0.015 0.000 2.167 561 K HA -0.067 4.250 4.320 -0.005 0.000 0.203 561 K C -0.392 176.217 176.600 0.015 0.000 1.052 561 K CA 0.808 57.104 56.287 0.014 0.000 0.956 561 K CB -0.720 31.787 32.500 0.011 0.000 0.735 561 K HN 0.384 nan 8.250 nan 0.000 0.451 562 P HA -0.195 nan 4.420 nan 0.000 0.215 562 P C 1.184 178.494 177.300 0.016 0.000 1.157 562 P CA 1.139 64.247 63.100 0.013 0.000 0.868 562 P CB 0.048 31.755 31.700 0.011 0.000 0.788 563 I N -1.305 119.275 120.570 0.018 0.000 2.202 563 I HA -0.174 3.993 4.170 -0.005 0.000 0.242 563 I C 2.377 178.511 176.117 0.028 0.000 1.091 563 I CA 1.517 62.830 61.300 0.021 0.000 1.368 563 I CB -1.607 36.405 38.000 0.020 0.000 1.058 563 I HN -0.019 nan 8.210 nan 0.000 0.410 564 L N 0.425 121.666 121.223 0.029 0.000 2.127 564 L HA -0.196 4.141 4.340 -0.005 0.000 0.211 564 L C 2.381 179.270 176.870 0.032 0.000 1.089 564 L CA 1.314 56.176 54.840 0.037 0.000 0.757 564 L CB -0.443 41.636 42.059 0.034 0.000 0.899 564 L HN 0.338 nan 8.230 nan 0.000 0.434 565 E N -0.401 119.813 120.200 0.024 0.000 2.371 565 E HA -0.184 4.163 4.350 -0.005 0.000 0.194 565 E C 1.926 178.539 176.600 0.022 0.000 1.012 565 E CA 0.389 56.800 56.400 0.019 0.000 0.860 565 E CB 0.201 29.909 29.700 0.014 0.000 0.811 565 E HN 0.371 nan 8.360 nan 0.000 0.502 566 K N 1.194 121.609 120.400 0.025 0.000 2.044 566 K HA -0.028 4.289 4.320 -0.005 0.000 0.204 566 K C 2.099 178.719 176.600 0.034 0.000 1.049 566 K CA 0.464 56.766 56.287 0.025 0.000 0.945 566 K CB 0.102 32.615 32.500 0.022 0.000 0.724 566 K HN 0.024 nan 8.250 nan 0.000 0.440 567 L N 1.215 122.464 121.223 0.044 0.000 2.079 567 L HA -0.197 4.140 4.340 -0.005 0.000 0.210 567 L C 2.606 179.514 176.870 0.064 0.000 1.081 567 L CA 1.905 56.782 54.840 0.062 0.000 0.752 567 L CB -1.149 40.959 42.059 0.081 0.000 0.896 567 L HN 0.484 nan 8.230 nan 0.000 0.433 568 T N -3.350 111.235 114.554 0.051 0.000 2.822 568 T HA -0.225 4.122 4.350 -0.005 0.000 0.270 568 T C 1.414 176.137 174.700 0.038 0.000 1.064 568 T CA 0.896 63.021 62.100 0.042 0.000 1.131 568 T CB -0.214 68.668 68.868 0.024 0.000 0.858 568 T HN 0.197 nan 8.240 nan 0.000 0.483 569 Q N 1.848 121.669 119.800 0.035 0.000 2.579 569 Q HA 0.364 4.701 4.340 -0.005 0.000 0.344 569 Q C -0.645 175.376 176.000 0.034 0.000 0.997 569 Q CA -0.024 55.796 55.803 0.029 0.000 0.991 569 Q CB -0.054 28.697 28.738 0.022 0.000 1.279 569 Q HN 0.583 nan 8.270 nan 0.000 0.420 570 D N 0.585 121.012 120.400 0.045 0.000 2.228 570 D HA 0.083 4.720 4.640 -0.005 0.000 0.247 570 D C 0.901 177.229 176.300 0.047 0.000 0.995 570 D CA -0.275 53.756 54.000 0.050 0.000 0.903 570 D CB 1.406 42.249 40.800 0.072 0.000 1.205 570 D HN 0.014 nan 8.370 nan 0.000 0.459 571 Q N 0.903 120.728 119.800 0.041 0.000 2.403 571 Q HA 0.002 4.339 4.340 -0.005 0.000 0.203 571 Q C -0.174 175.852 176.000 0.044 0.000 0.932 571 Q CA 0.280 56.104 55.803 0.035 0.000 0.945 571 Q CB -0.010 28.743 28.738 0.026 0.000 1.045 571 Q HN 0.318 nan 8.270 nan 0.000 0.511 572 D N 0.938 121.376 120.400 0.064 0.000 2.313 572 D HA 0.118 4.755 4.640 -0.005 0.000 0.239 572 D C 1.101 177.454 176.300 0.088 0.000 1.142 572 D CA -0.333 53.717 54.000 0.084 0.000 0.847 572 D CB 1.693 42.565 40.800 0.120 0.000 1.082 572 D HN -0.146 nan 8.370 nan 0.000 0.480 573 V N 4.216 124.168 119.914 0.063 0.000 2.231 573 V HA -0.285 3.832 4.120 -0.005 0.000 0.250 573 V C 1.760 177.882 176.094 0.045 0.000 1.058 573 V CA 1.888 64.211 62.300 0.039 0.000 1.022 573 V CB -0.400 31.427 31.823 0.007 0.000 0.640 573 V HN 0.634 nan 8.190 nan 0.000 0.445 574 D N -0.290 120.143 120.400 0.056 0.000 2.350 574 D HA -0.071 4.566 4.640 -0.005 0.000 0.216 574 D C 1.957 178.383 176.300 0.210 0.000 0.968 574 D CA 0.928 54.949 54.000 0.035 0.000 0.894 574 D CB 0.150 40.934 40.800 -0.027 0.000 0.909 574 D HN 0.407 nan 8.370 nan 0.000 0.520 575 V N 0.798 120.871 119.914 0.265 0.000 2.878 575 V HA -0.114 4.003 4.120 -0.005 0.000 0.250 575 V C 2.228 178.455 176.094 0.222 0.000 1.075 575 V CA 0.901 63.395 62.300 0.324 0.000 1.096 575 V CB -0.046 31.931 31.823 0.256 0.000 0.724 575 V HN 0.079 nan 8.190 nan 0.000 0.467 576 K N -0.385 120.103 120.400 0.147 0.000 1.965 576 K HA -0.204 4.113 4.320 -0.005 0.000 0.214 576 K C 2.152 178.803 176.600 0.084 0.000 1.046 576 K CA 2.095 58.440 56.287 0.097 0.000 0.944 576 K CB -0.550 31.991 32.500 0.069 0.000 0.726 576 K HN 0.389 nan 8.250 nan 0.000 0.441 577 Y N 1.046 121.285 120.300 -0.102 0.000 2.029 577 Y HA -0.304 4.243 4.550 -0.005 0.000 0.269 577 Y C 1.702 177.457 175.900 -0.242 0.000 1.201 577 Y CA 1.830 59.782 58.100 -0.247 0.000 1.115 577 Y CB -0.396 37.784 38.460 -0.466 0.000 0.945 577 Y HN 0.007 nan 8.280 nan 0.000 0.497 578 F N -0.675 119.379 119.950 0.174 0.000 2.795 578 F HA 0.149 4.673 4.527 -0.005 0.000 0.303 578 F C 1.734 177.565 175.800 0.053 0.000 1.186 578 F CA 0.597 58.655 58.000 0.096 0.000 1.415 578 F CB -0.581 38.527 39.000 0.179 0.000 1.106 578 F HN 0.211 nan 8.300 nan 0.000 0.558 579 A N -1.124 121.779 122.820 0.138 0.000 2.141 579 A HA 0.073 4.389 4.320 -0.005 0.000 0.201 579 A C 1.931 179.526 177.584 0.018 0.000 1.344 579 A CA 0.125 52.220 52.037 0.096 0.000 0.971 579 A CB -0.030 19.033 19.000 0.105 0.000 1.035 579 A HN 0.327 nan 8.150 nan 0.000 0.480 580 Q N -0.466 119.308 119.800 -0.043 0.000 2.349 580 Q HA 0.003 4.340 4.340 -0.005 0.000 0.209 580 Q C 1.490 177.402 176.000 -0.148 0.000 0.920 580 Q CA 1.224 56.980 55.803 -0.079 0.000 0.901 580 Q CB 0.166 28.857 28.738 -0.080 0.000 1.021 580 Q HN 0.415 nan 8.270 nan 0.000 0.519 581 E N -0.297 119.739 120.200 -0.273 0.000 2.489 581 E HA 0.105 4.452 4.350 -0.005 0.000 0.193 581 E C 0.889 177.398 176.600 -0.151 0.000 1.057 581 E CA 0.765 56.950 56.400 -0.358 0.000 0.866 581 E CB 0.304 29.465 29.700 -0.898 0.000 0.916 581 E HN 0.399 nan 8.360 nan 0.000 0.500 582 A N -0.172 122.616 122.820 -0.054 0.000 2.220 582 A HA 0.231 4.548 4.320 -0.005 0.000 0.211 582 A C 1.756 179.348 177.584 0.014 0.000 1.176 582 A CA 0.051 52.106 52.037 0.032 0.000 0.834 582 A CB -0.063 18.995 19.000 0.096 0.000 0.868 582 A HN 0.312 nan 8.150 nan 0.000 0.488 583 L N -0.962 120.254 121.223 -0.011 0.000 2.253 583 L HA 0.005 4.342 4.340 -0.005 0.000 0.205 583 L C 1.380 178.241 176.870 -0.014 0.000 1.078 583 L CA 0.984 55.820 54.840 -0.007 0.000 0.805 583 L CB -0.394 41.659 42.059 -0.010 0.000 0.963 583 L HN 0.154 nan 8.230 nan 0.000 0.459 584 T N 0.061 114.595 114.554 -0.033 0.000 3.722 584 T HA 0.065 4.412 4.350 -0.005 0.000 0.247 584 T C 1.038 175.727 174.700 -0.018 0.000 1.004 584 T CA 0.342 62.423 62.100 -0.031 0.000 0.947 584 T CB -0.196 68.642 68.868 -0.051 0.000 1.114 584 T HN 0.072 nan 8.240 nan 0.000 0.633 585 V N -0.755 119.156 119.914 -0.005 0.000 3.283 585 V HA 0.221 4.338 4.120 -0.005 0.000 0.265 585 V C 1.193 177.295 176.094 0.013 0.000 1.672 585 V CA -0.030 62.274 62.300 0.007 0.000 1.020 585 V CB 0.264 32.097 31.823 0.017 0.000 0.854 585 V HN 0.419 nan 8.190 nan 0.000 0.408 586 L N -0.103 121.127 121.223 0.012 0.000 2.728 586 L HA 0.347 4.684 4.340 -0.005 0.000 0.238 586 L C 1.418 178.294 176.870 0.010 0.000 1.143 586 L CA 0.586 55.435 54.840 0.014 0.000 0.937 586 L CB 0.536 42.606 42.059 0.017 0.000 1.225 586 L HN 0.363 nan 8.230 nan 0.000 0.507 587 S N -0.582 115.122 115.700 0.006 0.000 2.608 587 S HA -0.221 4.246 4.470 -0.005 0.000 0.256 587 S C 0.978 175.580 174.600 0.003 0.000 1.270 587 S CA 1.032 59.235 58.200 0.004 0.000 1.465 587 S CB -1.259 61.945 63.200 0.006 0.000 1.833 587 S HN 0.384 nan 8.310 nan 0.000 0.641 588 L N 1.365 122.591 121.223 0.005 0.000 2.693 588 L HA 0.294 4.631 4.340 -0.005 0.000 0.242 588 L C 1.355 178.226 176.870 0.001 0.000 1.157 588 L CA 0.287 55.130 54.840 0.004 0.000 0.929 588 L CB -0.732 41.332 42.059 0.008 0.000 1.103 588 L HN 0.520 nan 8.230 nan 0.000 0.430 589 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 52.033 52.037 -0.007 0.000 0.836 589 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486