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 1o0t_1_A DATA FIRST_RESID 3 DATA SEQUENCE GTSSAFTQID NFSHFYDRGD HLVNGKPSFT VDQVADQLTR SGASWHDLNN DATA SEQUENCE DGVINLTYTF LTAPPVGYAS RGLGTFSQFS ALQKEQAKLS LESWADVAKV DATA SEQUENCE TFTEGPAARG DDGHMTFANF SASNGGAAFA YLPNSSRKGE SWYLINKDYQ DATA SEQUENCE VNKTPGEGNY GRQTLTHEIG HTLGLSHPGD XXXXXXNPTY RDAVYAEDTR DATA SEQUENCE AYSVMSYWSE KNTGQVFTKT GEGAYASAPL LDDIAAVQKL YGANLETRAD DATA SEQUENCE DTVYGFNSTA DRDFYSATSS TDKLIFSVWD GGGNDTLDFS GFSQNQKINL DATA SEQUENCE TAGSFSDVGG MTGNVSIAQG VTIENAIGGS GNDLLIGNDA ANVLKGGAGN DATA SEQUENCE DIIYGGGGAD VLWGGTGSDT FVFGAVSDST PKAADIIKDF QSGFDKIDLT DATA SEQUENCE AITKLGGLNF VDAFTGHAGD AIVSYHQASN AGSLQVDFSG QGVADFLVTT DATA SEQUENCE VGQVATYDIV A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.913 174.900 0.021 0.000 0.946 3 G CA 0.000 45.114 45.100 0.023 0.000 0.502 4 T N -0.940 113.642 114.554 0.048 0.000 2.922 4 T HA 0.824 5.174 4.350 -0.000 0.000 0.281 4 T C 1.150 175.921 174.700 0.117 0.000 1.005 4 T CA 0.150 62.282 62.100 0.053 0.000 0.982 4 T CB 1.439 70.337 68.868 0.049 0.000 1.158 4 T HN 1.422 nan 8.240 nan 0.000 0.566 5 S N 0.031 115.821 115.700 0.149 0.000 2.634 5 S HA 0.240 4.710 4.470 -0.000 0.000 0.261 5 S C 1.580 176.282 174.600 0.170 0.000 1.271 5 S CA -0.047 58.243 58.200 0.150 0.000 0.985 5 S CB 0.669 63.964 63.200 0.158 0.000 0.968 5 S HN 0.899 nan 8.310 nan 0.000 0.568 6 S N 0.432 116.206 115.700 0.124 0.000 2.406 6 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 6 S C 1.992 176.651 174.600 0.098 0.000 1.020 6 S CA 0.968 59.226 58.200 0.097 0.000 0.965 6 S CB -1.192 62.048 63.200 0.066 0.000 0.798 6 S HN 0.937 nan 8.310 nan 0.000 0.488 7 A N 0.520 123.413 122.820 0.122 0.000 1.902 7 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 7 A C 1.937 179.602 177.584 0.135 0.000 1.181 7 A CA 1.460 53.564 52.037 0.111 0.000 0.623 7 A CB -0.985 18.091 19.000 0.128 0.000 0.818 7 A HN 0.686 nan 8.150 nan 0.000 0.443 8 F N 1.137 121.137 119.950 0.083 0.000 2.206 8 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 8 F C 2.404 178.240 175.800 0.061 0.000 1.090 8 F CA 2.089 60.143 58.000 0.090 0.000 1.323 8 F CB -0.599 38.465 39.000 0.108 0.000 1.028 8 F HN 0.181 nan 8.300 nan 0.000 0.492 9 T N 0.455 115.036 114.554 0.044 0.000 2.720 9 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 9 T C 1.840 176.471 174.700 -0.115 0.000 1.037 9 T CA 1.876 63.950 62.100 -0.042 0.000 1.144 9 T CB -0.309 68.602 68.868 0.071 0.000 0.864 9 T HN 0.422 nan 8.240 nan 0.000 0.444 10 Q N -0.072 119.687 119.800 -0.068 0.000 2.124 10 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 10 Q C 2.291 178.247 176.000 -0.074 0.000 0.977 10 Q CA 0.988 56.759 55.803 -0.053 0.000 0.850 10 Q CB -0.181 28.534 28.738 -0.039 0.000 0.901 10 Q HN 0.430 nan 8.270 nan 0.000 0.429 11 I N 0.809 121.274 120.570 -0.175 0.000 2.193 11 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 11 I C 1.942 177.886 176.117 -0.288 0.000 1.084 11 I CA 1.458 62.631 61.300 -0.211 0.000 1.365 11 I CB -1.022 36.785 38.000 -0.320 0.000 1.064 11 I HN 0.213 nan 8.210 nan 0.000 0.410 12 D N 1.024 121.110 120.400 -0.524 0.000 2.117 12 D HA -0.226 4.414 4.640 -0.000 0.000 0.197 12 D C 2.061 178.343 176.300 -0.030 0.000 0.987 12 D CA 1.250 55.039 54.000 -0.352 0.000 0.829 12 D CB -0.120 40.383 40.800 -0.495 0.000 0.961 12 D HN 0.167 nan 8.370 nan 0.000 0.460 13 N N -0.746 117.935 118.700 -0.031 0.000 2.120 13 N HA -0.202 4.538 4.740 -0.000 0.000 0.188 13 N C 1.815 177.425 175.510 0.167 0.000 1.024 13 N CA 0.878 53.977 53.050 0.083 0.000 0.852 13 N CB -0.345 38.183 38.487 0.068 0.000 1.003 13 N HN 0.237 nan 8.380 nan 0.000 0.424 14 F N 2.060 121.997 119.950 -0.021 0.000 2.206 14 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 14 F C 2.702 178.530 175.800 0.047 0.000 1.090 14 F CA 1.554 59.549 58.000 -0.007 0.000 1.323 14 F CB -0.729 38.229 39.000 -0.070 0.000 1.028 14 F HN 0.075 nan 8.300 nan 0.000 0.492 15 S N -1.465 114.121 115.700 -0.190 0.000 2.447 15 S HA -0.209 4.261 4.470 -0.000 0.000 0.233 15 S C 1.462 175.816 174.600 -0.409 0.000 1.006 15 S CA 1.565 59.555 58.200 -0.350 0.000 0.957 15 S CB -0.951 62.057 63.200 -0.321 0.000 0.773 15 S HN 0.622 nan 8.310 nan 0.000 0.507 16 H N -1.185 117.830 119.070 -0.092 0.000 2.622 16 H HA 0.381 4.937 4.556 -0.000 0.000 0.269 16 H C 1.158 176.451 175.328 -0.059 0.000 0.977 16 H CA 0.051 56.066 56.048 -0.053 0.000 1.179 16 H CB -0.144 29.585 29.762 -0.055 0.000 1.458 16 H HN 0.415 nan 8.280 nan 0.000 0.531 17 F N 0.332 120.183 119.950 -0.165 0.000 2.225 17 F HA -0.272 4.255 4.527 -0.000 0.000 0.302 17 F C 0.390 175.941 175.800 -0.415 0.000 1.068 17 F CA 1.436 59.247 58.000 -0.316 0.000 1.327 17 F CB 0.042 38.767 39.000 -0.457 0.000 1.043 17 F HN 0.171 nan 8.300 nan 0.000 0.506 18 Y N -0.302 120.034 120.300 0.059 0.000 2.720 18 Y HA 0.219 4.768 4.550 -0.000 0.000 0.268 18 Y C 0.148 176.130 175.900 0.136 0.000 1.142 18 Y CA -1.366 56.782 58.100 0.080 0.000 1.193 18 Y CB -0.684 37.888 38.460 0.188 0.000 1.176 18 Y HN -0.223 nan 8.280 nan 0.000 0.542 19 D N 1.739 122.244 120.400 0.175 0.000 2.472 19 D HA 0.091 4.731 4.640 -0.000 0.000 0.237 19 D C 0.274 176.752 176.300 0.297 0.000 1.141 19 D CA 0.613 54.732 54.000 0.198 0.000 0.875 19 D CB 0.725 41.600 40.800 0.126 0.000 1.192 19 D HN 0.296 nan 8.370 nan 0.000 0.450 20 R N 0.209 120.890 120.500 0.301 0.000 2.803 20 R HA 0.709 5.049 4.340 -0.000 0.000 0.276 20 R C 0.103 176.562 176.300 0.264 0.000 0.978 20 R CA -1.019 55.262 56.100 0.302 0.000 0.939 20 R CB 2.145 32.593 30.300 0.247 0.000 1.179 20 R HN 0.586 nan 8.270 nan 0.000 0.472 21 G N 1.326 110.232 108.800 0.177 0.000 2.777 21 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.686 21 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.686 21 G C -0.522 174.514 174.900 0.226 0.000 1.177 21 G CA -0.343 44.848 45.100 0.153 0.000 0.775 21 G HN 0.808 nan 8.290 nan 0.000 0.613 22 D N 0.403 120.886 120.400 0.139 0.000 2.772 22 D HA -0.189 4.451 4.640 -0.000 0.000 0.233 22 D C 0.665 177.094 176.300 0.216 0.000 1.143 22 D CA 2.439 56.525 54.000 0.145 0.000 0.700 22 D CB -1.482 39.392 40.800 0.124 0.000 1.076 22 D HN 1.650 nan 8.370 nan 0.000 0.430 23 H N -2.817 116.289 119.070 0.060 0.000 2.967 23 H HA 0.556 5.112 4.556 -0.000 0.000 0.318 23 H C -1.373 173.977 175.328 0.037 0.000 1.375 23 H CA -1.068 55.003 56.048 0.038 0.000 1.132 23 H CB 0.466 30.242 29.762 0.023 0.000 1.848 23 H HN -0.100 nan 8.280 nan 0.000 0.524 24 L N 1.404 122.668 121.223 0.069 0.000 2.309 24 L HA 0.457 4.797 4.340 -0.000 0.000 0.282 24 L C -0.266 176.619 176.870 0.025 0.000 1.036 24 L CA -0.747 54.084 54.840 -0.014 0.000 0.806 24 L CB 1.649 43.715 42.059 0.013 0.000 1.220 24 L HN 0.514 nan 8.230 nan 0.000 0.429 25 V N 3.503 123.392 119.914 -0.042 0.000 2.447 25 V HA 0.377 4.497 4.120 -0.000 0.000 0.292 25 V C 0.118 176.209 176.094 -0.004 0.000 1.021 25 V CA -0.882 61.419 62.300 0.001 0.000 0.850 25 V CB 1.137 32.949 31.823 -0.019 0.000 1.005 25 V HN 0.884 nan 8.190 nan 0.000 0.426 26 N N 3.665 122.371 118.700 0.011 0.000 2.747 26 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 26 N C 1.133 176.629 175.510 -0.023 0.000 1.107 26 N CA 0.641 53.700 53.050 0.015 0.000 0.707 26 N CB -0.781 37.754 38.487 0.080 0.000 1.054 26 N HN 1.420 nan 8.380 nan 0.000 0.555 27 G N -0.825 107.957 108.800 -0.029 0.000 2.184 27 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.264 27 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.264 27 G C -0.015 174.842 174.900 -0.073 0.000 0.975 27 G CA 1.087 46.160 45.100 -0.045 0.000 0.642 27 G HN 0.471 nan 8.290 nan 0.000 0.536 28 K N 1.223 121.566 120.400 -0.094 0.000 2.203 28 K HA 0.530 4.850 4.320 -0.000 0.000 0.251 28 K C -2.556 173.964 176.600 -0.133 0.000 0.944 28 K CA -2.138 54.065 56.287 -0.140 0.000 0.829 28 K CB 2.508 34.877 32.500 -0.217 0.000 1.125 28 K HN 0.007 nan 8.250 nan 0.000 0.430 29 P HA -0.035 nan 4.420 nan 0.000 0.271 29 P C -0.645 176.556 177.300 -0.164 0.000 1.216 29 P CA -0.165 62.881 63.100 -0.091 0.000 0.771 29 P CB 1.153 32.879 31.700 0.043 0.000 0.864 30 S N 3.317 118.922 115.700 -0.158 0.000 2.489 30 S HA 0.466 4.936 4.470 -0.000 0.000 0.277 30 S C -0.673 174.033 174.600 0.177 0.000 1.230 30 S CA -0.512 57.599 58.200 -0.148 0.000 1.053 30 S CB -0.557 62.348 63.200 -0.492 0.000 0.955 30 S HN 0.137 nan 8.310 nan 0.000 0.488 31 F N 2.918 122.844 119.950 -0.041 0.000 2.422 31 F HA 0.410 4.937 4.527 -0.000 0.000 0.333 31 F C 1.333 177.103 175.800 -0.050 0.000 1.095 31 F CA -1.346 56.601 58.000 -0.087 0.000 1.038 31 F CB 1.515 40.359 39.000 -0.259 0.000 1.156 31 F HN 0.681 nan 8.300 nan 0.000 0.483 32 T N -1.104 113.522 114.554 0.120 0.000 2.788 32 T HA 0.314 4.664 4.350 -0.000 0.000 0.287 32 T C 1.341 176.088 174.700 0.077 0.000 1.007 32 T CA -0.696 61.463 62.100 0.099 0.000 1.005 32 T CB 0.862 69.761 68.868 0.053 0.000 1.012 32 T HN 0.262 nan 8.240 nan 0.000 0.530 33 V N 1.315 121.291 119.914 0.103 0.000 2.252 33 V HA -0.204 3.916 4.120 -0.000 0.000 0.249 33 V C 2.599 178.711 176.094 0.031 0.000 1.056 33 V CA 2.333 64.690 62.300 0.095 0.000 1.022 33 V CB -0.820 31.067 31.823 0.106 0.000 0.641 33 V HN 0.896 nan 8.190 nan 0.000 0.445 34 D N -0.558 119.847 120.400 0.008 0.000 2.123 34 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 34 D C 2.305 178.552 176.300 -0.088 0.000 0.992 34 D CA 1.448 55.431 54.000 -0.029 0.000 0.833 34 D CB -0.246 40.537 40.800 -0.028 0.000 0.954 34 D HN 0.577 nan 8.370 nan 0.000 0.455 35 Q N 0.213 119.926 119.800 -0.145 0.000 2.124 35 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 35 Q C 2.448 178.289 176.000 -0.265 0.000 0.977 35 Q CA 0.748 56.365 55.803 -0.309 0.000 0.850 35 Q CB 0.089 28.492 28.738 -0.559 0.000 0.901 35 Q HN 0.160 nan 8.270 nan 0.000 0.429 36 V N 0.915 120.734 119.914 -0.158 0.000 2.427 36 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 36 V C 2.244 178.294 176.094 -0.072 0.000 1.051 36 V CA 1.625 63.824 62.300 -0.168 0.000 1.048 36 V CB -0.896 30.859 31.823 -0.114 0.000 0.666 36 V HN 0.372 nan 8.190 nan 0.000 0.456 37 A N -0.223 122.573 122.820 -0.040 0.000 2.019 37 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 37 A C 1.955 179.514 177.584 -0.043 0.000 1.164 37 A CA 1.982 54.007 52.037 -0.020 0.000 0.644 37 A CB -0.463 18.529 19.000 -0.014 0.000 0.805 37 A HN 0.543 nan 8.150 nan 0.000 0.449 38 D N -1.229 119.128 120.400 -0.072 0.000 2.162 38 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 38 D C 2.091 178.364 176.300 -0.044 0.000 0.967 38 D CA 1.419 55.378 54.000 -0.070 0.000 0.840 38 D CB -0.268 40.472 40.800 -0.099 0.000 0.972 38 D HN 0.508 nan 8.370 nan 0.000 0.482 39 Q N 0.750 120.526 119.800 -0.041 0.000 2.050 39 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 39 Q C 2.096 178.127 176.000 0.051 0.000 0.980 39 Q CA 1.128 56.948 55.803 0.027 0.000 0.840 39 Q CB -0.383 28.376 28.738 0.036 0.000 0.898 39 Q HN 0.262 nan 8.270 nan 0.000 0.424 40 L N -0.017 121.229 121.223 0.038 0.000 2.362 40 L HA -0.023 4.317 4.340 -0.000 0.000 0.219 40 L C 1.226 178.097 176.870 0.001 0.000 1.134 40 L CA 1.372 56.236 54.840 0.039 0.000 0.807 40 L CB -0.432 41.657 42.059 0.049 0.000 0.927 40 L HN 0.352 nan 8.230 nan 0.000 0.447 41 T N -3.852 110.691 114.554 -0.017 0.000 3.331 41 T HA 0.149 4.499 4.350 -0.000 0.000 0.282 41 T C 1.313 175.992 174.700 -0.035 0.000 1.010 41 T CA -0.699 61.374 62.100 -0.046 0.000 0.928 41 T CB -0.009 68.812 68.868 -0.079 0.000 1.154 41 T HN 0.361 nan 8.240 nan 0.000 0.516 42 R N 0.793 121.288 120.500 -0.007 0.000 2.276 42 R HA 0.049 4.389 4.340 -0.000 0.000 0.203 42 R C 2.017 178.317 176.300 0.001 0.000 1.017 42 R CA 1.122 57.222 56.100 0.001 0.000 1.010 42 R CB -0.591 29.725 30.300 0.027 0.000 0.900 42 R HN 0.462 nan 8.270 nan 0.000 0.469 43 S N 0.132 115.829 115.700 -0.005 0.000 2.453 43 S HA 0.075 4.545 4.470 -0.000 0.000 0.231 43 S C 1.672 176.256 174.600 -0.026 0.000 1.005 43 S CA 0.506 58.702 58.200 -0.008 0.000 0.949 43 S CB -0.140 63.053 63.200 -0.012 0.000 0.774 43 S HN 0.643 nan 8.310 nan 0.000 0.510 44 G N 0.780 109.556 108.800 -0.040 0.000 2.184 44 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.264 44 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.264 44 G C 0.204 175.070 174.900 -0.055 0.000 0.975 44 G CA 0.132 45.208 45.100 -0.040 0.000 0.642 44 G HN 1.349 nan 8.290 nan 0.000 0.536 45 A N -0.247 122.519 122.820 -0.091 0.000 2.327 45 A HA 0.968 5.288 4.320 -0.000 0.000 0.283 45 A C 0.566 178.032 177.584 -0.197 0.000 1.127 45 A CA 0.957 52.907 52.037 -0.145 0.000 0.810 45 A CB 1.129 20.025 19.000 -0.174 0.000 1.066 45 A HN 2.217 nan 8.150 nan 0.000 0.492 46 S N 0.459 116.000 115.700 -0.266 0.000 2.627 46 S HA 0.519 4.989 4.470 -0.000 0.000 0.268 46 S C -1.299 173.086 174.600 -0.358 0.000 1.130 46 S CA -0.889 57.172 58.200 -0.231 0.000 0.819 46 S CB -0.067 63.058 63.200 -0.124 0.000 1.100 46 S HN 0.755 nan 8.310 nan 0.000 0.465 47 W N 1.204 122.463 121.300 -0.069 0.000 2.237 47 W HA 0.572 5.232 4.660 -0.000 0.000 0.335 47 W C 0.715 177.106 176.519 -0.214 0.000 1.230 47 W CA -0.093 57.133 57.345 -0.198 0.000 1.253 47 W CB 0.522 29.901 29.460 -0.135 0.000 1.129 47 W HN 0.590 nan 8.180 nan 0.000 0.590 48 H N 1.169 120.436 119.070 0.327 0.000 2.533 48 H HA 0.093 4.649 4.556 -0.000 0.000 0.343 48 H C -0.800 174.610 175.328 0.136 0.000 1.160 48 H CA -0.907 55.256 56.048 0.191 0.000 1.218 48 H CB 1.488 31.327 29.762 0.128 0.000 1.566 48 H HN 0.246 nan 8.280 nan 0.000 0.522 49 D N 3.127 123.664 120.400 0.229 0.000 2.468 49 D HA 0.011 4.651 4.640 -0.000 0.000 0.218 49 D C 0.886 177.241 176.300 0.092 0.000 1.155 49 D CA -0.310 53.758 54.000 0.113 0.000 0.924 49 D CB 0.248 41.100 40.800 0.087 0.000 1.029 49 D HN 0.226 nan 8.370 nan 0.000 0.515 50 L N 3.475 124.747 121.223 0.080 0.000 2.072 50 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 50 L C 1.423 178.311 176.870 0.029 0.000 1.079 50 L CA 1.311 56.187 54.840 0.058 0.000 0.752 50 L CB -1.403 40.690 42.059 0.058 0.000 0.906 50 L HN 0.551 nan 8.230 nan 0.000 0.436 51 N N -0.911 117.798 118.700 0.014 0.000 2.313 51 N HA -0.027 4.713 4.740 -0.000 0.000 0.207 51 N C -0.205 175.308 175.510 0.006 0.000 1.141 51 N CA -0.168 52.884 53.050 0.005 0.000 0.830 51 N CB -0.297 38.185 38.487 -0.008 0.000 1.008 51 N HN 0.124 nan 8.380 nan 0.000 0.481 52 N N 2.222 120.931 118.700 0.015 0.000 2.558 52 N HA -0.149 4.591 4.740 -0.000 0.000 0.302 52 N C -0.976 174.540 175.510 0.011 0.000 1.322 52 N CA 1.519 54.579 53.050 0.017 0.000 0.687 52 N CB -0.187 38.309 38.487 0.015 0.000 0.992 52 N HN 0.766 nan 8.380 nan 0.000 0.524 53 D N -0.197 120.209 120.400 0.010 0.000 2.825 53 D HA 0.114 4.754 4.640 -0.000 0.000 0.294 53 D C 0.875 177.181 176.300 0.009 0.000 1.651 53 D CA 0.284 54.288 54.000 0.006 0.000 0.847 53 D CB -0.486 40.311 40.800 -0.005 0.000 1.389 53 D HN 0.582 nan 8.370 nan 0.000 0.426 54 G N 0.648 109.460 108.800 0.020 0.000 2.233 54 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.270 54 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.270 54 G C 0.013 174.926 174.900 0.022 0.000 1.011 54 G CA 0.776 45.894 45.100 0.030 0.000 0.762 54 G HN 0.907 nan 8.290 nan 0.000 0.511 55 V N 0.308 120.219 119.914 -0.006 0.000 2.891 55 V HA 0.603 4.723 4.120 -0.000 0.000 0.304 55 V C -0.642 175.390 176.094 -0.105 0.000 1.171 55 V CA -1.421 60.850 62.300 -0.048 0.000 0.943 55 V CB 1.676 33.466 31.823 -0.055 0.000 1.037 55 V HN 0.222 nan 8.190 nan 0.000 0.427 56 I N 6.115 126.564 120.570 -0.200 0.000 2.337 56 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 56 I C 0.105 175.995 176.117 -0.378 0.000 1.046 56 I CA 0.054 61.170 61.300 -0.306 0.000 1.324 56 I CB 0.788 38.475 38.000 -0.522 0.000 1.409 56 I HN 0.597 nan 8.210 nan 0.000 0.494 57 N N 8.524 127.042 118.700 -0.303 0.000 2.500 57 N HA 0.400 5.140 4.740 -0.000 0.000 0.236 57 N C -0.485 174.820 175.510 -0.341 0.000 1.022 57 N CA -0.310 52.569 53.050 -0.284 0.000 0.935 57 N CB 1.877 40.262 38.487 -0.169 0.000 1.147 57 N HN 0.448 nan 8.380 nan 0.000 0.512 58 L N 1.134 122.099 121.223 -0.428 0.000 2.334 58 L HA 0.537 4.877 4.340 -0.000 0.000 0.272 58 L C 0.836 177.635 176.870 -0.118 0.000 1.020 58 L CA -0.757 53.847 54.840 -0.392 0.000 0.812 58 L CB 1.738 43.469 42.059 -0.547 0.000 1.264 58 L HN 0.386 nan 8.230 nan 0.000 0.439 59 T N -1.589 112.940 114.554 -0.043 0.000 2.912 59 T HA 0.697 5.047 4.350 -0.000 0.000 0.288 59 T C -0.903 173.803 174.700 0.011 0.000 1.030 59 T CA -0.676 61.461 62.100 0.062 0.000 1.020 59 T CB 1.762 70.700 68.868 0.117 0.000 1.056 59 T HN 0.475 nan 8.240 nan 0.000 0.480 60 Y N -1.591 118.615 120.300 -0.156 0.000 2.553 60 Y HA 0.807 5.357 4.550 -0.000 0.000 0.347 60 Y C -0.873 174.837 175.900 -0.315 0.000 1.019 60 Y CA -1.206 56.678 58.100 -0.360 0.000 1.032 60 Y CB 1.379 39.742 38.460 -0.162 0.000 1.284 60 Y HN 0.705 nan 8.280 nan 0.000 0.466 61 T N 3.527 117.916 114.554 -0.275 0.000 2.861 61 T HA 0.480 4.830 4.350 -0.000 0.000 0.287 61 T C -1.440 173.136 174.700 -0.205 0.000 1.003 61 T CA -0.500 61.481 62.100 -0.197 0.000 0.977 61 T CB 0.502 69.422 68.868 0.085 0.000 0.996 61 T HN 0.431 nan 8.240 nan 0.000 0.448 62 F N 3.154 123.145 119.950 0.068 0.000 2.375 62 F HA 0.376 4.903 4.527 -0.000 0.000 0.362 62 F C 0.740 176.555 175.800 0.025 0.000 1.129 62 F CA -1.240 56.756 58.000 -0.007 0.000 1.154 62 F CB 0.007 39.000 39.000 -0.013 0.000 1.205 62 F HN 0.285 nan 8.300 nan 0.000 0.513 63 L N 3.373 124.684 121.223 0.148 0.000 2.578 63 L HA -0.041 4.299 4.340 -0.000 0.000 0.279 63 L C 1.269 178.332 176.870 0.321 0.000 1.227 63 L CA 0.416 55.377 54.840 0.202 0.000 0.900 63 L CB 0.342 42.531 42.059 0.217 0.000 1.144 63 L HN 0.700 nan 8.230 nan 0.000 0.496 64 T N 1.632 116.338 114.554 0.254 0.000 3.034 64 T HA 0.245 4.595 4.350 -0.000 0.000 0.248 64 T C 0.364 175.225 174.700 0.268 0.000 1.040 64 T CA 0.584 62.835 62.100 0.252 0.000 1.107 64 T CB 0.438 69.393 68.868 0.145 0.000 0.932 64 T HN 0.697 nan 8.240 nan 0.000 0.474 65 A N 2.119 124.971 122.820 0.053 0.000 2.498 65 A HA 0.736 5.055 4.320 -0.000 0.000 0.298 65 A C -2.860 174.291 177.584 -0.721 0.000 1.075 65 A CA -1.879 49.988 52.037 -0.285 0.000 0.714 65 A CB 1.088 20.005 19.000 -0.138 0.000 1.299 65 A HN -0.005 nan 8.150 nan 0.000 0.407 66 P HA 0.245 nan 4.420 nan 0.000 0.271 66 P C -2.424 174.689 177.300 -0.311 0.000 1.216 66 P CA -0.505 61.956 63.100 -1.064 0.000 0.771 66 P CB -0.013 30.998 31.700 -1.148 0.000 0.864 67 P HA 0.024 nan 4.420 nan 0.000 0.274 67 P C -0.160 177.191 177.300 0.084 0.000 1.260 67 P CA -0.186 62.954 63.100 0.067 0.000 0.793 67 P CB 0.421 32.232 31.700 0.185 0.000 1.048 68 V N 0.409 120.362 119.914 0.064 0.000 2.617 68 V HA 0.221 4.341 4.120 -0.000 0.000 0.304 68 V C 1.767 177.905 176.094 0.073 0.000 1.040 68 V CA 1.687 64.019 62.300 0.054 0.000 1.149 68 V CB -0.552 31.292 31.823 0.034 0.000 0.914 68 V HN 1.097 nan 8.190 nan 0.000 0.487 69 G N 3.715 112.554 108.800 0.065 0.000 2.148 69 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.254 69 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.254 69 G C 0.538 175.468 174.900 0.050 0.000 0.981 69 G CA 0.794 45.919 45.100 0.042 0.000 0.670 69 G HN 1.059 nan 8.290 nan 0.000 0.528 70 Y N 0.897 121.189 120.300 -0.014 0.000 2.128 70 Y HA -0.033 4.517 4.550 -0.000 0.000 0.284 70 Y C 2.823 178.702 175.900 -0.034 0.000 1.154 70 Y CA 2.752 60.839 58.100 -0.022 0.000 1.149 70 Y CB -0.484 37.980 38.460 0.006 0.000 0.976 70 Y HN 0.527 nan 8.280 nan 0.000 0.505 71 A N 0.019 122.777 122.820 -0.102 0.000 1.958 71 A HA -0.297 4.023 4.320 -0.000 0.000 0.221 71 A C 2.384 179.837 177.584 -0.217 0.000 1.178 71 A CA 2.420 54.359 52.037 -0.164 0.000 0.642 71 A CB -1.474 17.527 19.000 0.002 0.000 0.816 71 A HN 0.670 nan 8.150 nan 0.000 0.453 72 S N -0.580 115.021 115.700 -0.166 0.000 2.547 72 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 72 S C 1.657 176.135 174.600 -0.204 0.000 0.980 72 S CA 0.847 58.960 58.200 -0.145 0.000 0.941 72 S CB -0.417 62.726 63.200 -0.096 0.000 0.763 72 S HN 0.641 nan 8.310 nan 0.000 0.532 73 R N 0.667 120.975 120.500 -0.320 0.000 2.276 73 R HA 0.185 4.525 4.340 -0.000 0.000 0.203 73 R C 1.646 177.747 176.300 -0.331 0.000 1.017 73 R CA 0.450 56.341 56.100 -0.349 0.000 1.010 73 R CB -0.554 29.458 30.300 -0.480 0.000 0.900 73 R HN 0.587 nan 8.270 nan 0.000 0.469 74 G N 1.074 109.696 108.800 -0.296 0.000 2.160 74 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.251 74 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.251 74 G C 0.519 175.310 174.900 -0.183 0.000 1.008 74 G CA 0.041 45.020 45.100 -0.202 0.000 0.724 74 G HN 0.296 nan 8.290 nan 0.000 0.514 75 L N -0.058 121.001 121.223 -0.273 0.000 2.567 75 L HA 0.413 4.753 4.340 -0.000 0.000 0.225 75 L C 1.970 178.950 176.870 0.184 0.000 1.119 75 L CA 0.583 55.356 54.840 -0.112 0.000 0.871 75 L CB -0.444 41.422 42.059 -0.322 0.000 1.036 75 L HN 1.050 nan 8.230 nan 0.000 0.459 76 G N 0.318 109.175 108.800 0.096 0.000 2.593 76 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.237 76 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.237 76 G C -0.051 175.066 174.900 0.361 0.000 1.312 76 G CA -0.336 44.886 45.100 0.202 0.000 0.896 76 G HN 0.090 nan 8.290 nan 0.000 0.574 77 T N 1.080 115.830 114.554 0.326 0.000 2.871 77 T HA 0.355 4.705 4.350 -0.000 0.000 0.296 77 T C 0.205 175.178 174.700 0.455 0.000 0.998 77 T CA 0.957 63.272 62.100 0.358 0.000 1.162 77 T CB 0.377 69.384 68.868 0.231 0.000 0.947 77 T HN 0.928 nan 8.240 nan 0.000 0.536 78 F N 3.854 123.992 119.950 0.313 0.000 2.396 78 F HA 0.516 5.043 4.527 -0.000 0.000 0.343 78 F C 0.363 176.264 175.800 0.170 0.000 1.104 78 F CA -0.489 57.636 58.000 0.209 0.000 1.161 78 F CB 0.715 39.581 39.000 -0.223 0.000 1.146 78 F HN 0.603 nan 8.300 nan 0.000 0.522 79 S N 4.947 120.181 115.700 -0.777 0.000 2.579 79 S HA 0.461 4.931 4.470 -0.000 0.000 0.272 79 S C -1.221 172.955 174.600 -0.708 0.000 1.141 79 S CA -1.085 56.774 58.200 -0.569 0.000 0.843 79 S CB 1.715 64.827 63.200 -0.148 0.000 1.122 79 S HN 0.933 nan 8.310 nan 0.000 0.468 80 Q N 0.831 120.433 119.800 -0.329 0.000 2.212 80 Q HA 0.583 4.923 4.340 -0.000 0.000 0.238 80 Q C -1.198 174.871 176.000 0.115 0.000 0.955 80 Q CA -0.783 54.974 55.803 -0.077 0.000 0.906 80 Q CB 0.307 29.088 28.738 0.072 0.000 1.215 80 Q HN 0.553 nan 8.270 nan 0.000 0.478 81 F N 2.009 121.906 119.950 -0.089 0.000 2.572 81 F HA 0.051 4.578 4.527 -0.000 0.000 0.370 81 F C 0.879 176.557 175.800 -0.202 0.000 1.103 81 F CA -0.198 57.703 58.000 -0.165 0.000 1.286 81 F CB 0.773 39.623 39.000 -0.251 0.000 1.105 81 F HN 0.720 nan 8.300 nan 0.000 0.583 82 S N 2.541 118.149 115.700 -0.154 0.000 2.624 82 S HA 0.503 4.973 4.470 -0.000 0.000 0.263 82 S C 1.128 175.603 174.600 -0.208 0.000 1.287 82 S CA -0.389 57.716 58.200 -0.158 0.000 0.990 82 S CB 1.152 64.244 63.200 -0.180 0.000 0.950 82 S HN 0.751 nan 8.310 nan 0.000 0.561 83 A N 0.614 123.332 122.820 -0.169 0.000 1.972 83 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 83 A C 2.039 179.499 177.584 -0.206 0.000 1.169 83 A CA 1.179 53.107 52.037 -0.182 0.000 0.635 83 A CB -0.951 17.977 19.000 -0.120 0.000 0.810 83 A HN 0.860 nan 8.150 nan 0.000 0.446 84 L N -0.839 120.263 121.223 -0.201 0.000 2.017 84 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 84 L C 2.794 179.502 176.870 -0.270 0.000 1.073 84 L CA 1.931 56.651 54.840 -0.200 0.000 0.745 84 L CB -0.454 41.495 42.059 -0.182 0.000 0.894 84 L HN 0.511 nan 8.230 nan 0.000 0.432 85 Q N -0.371 119.197 119.800 -0.388 0.000 2.084 85 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 85 Q C 2.181 177.932 176.000 -0.415 0.000 0.978 85 Q CA 1.746 57.200 55.803 -0.581 0.000 0.844 85 Q CB 0.015 28.055 28.738 -1.165 0.000 0.898 85 Q HN 0.487 nan 8.270 nan 0.000 0.426 86 K N 0.616 120.767 120.400 -0.415 0.000 2.057 86 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 86 K C 2.075 178.501 176.600 -0.290 0.000 1.049 86 K CA 1.299 57.222 56.287 -0.608 0.000 0.931 86 K CB -0.106 31.860 32.500 -0.890 0.000 0.714 86 K HN 0.248 nan 8.250 nan 0.000 0.440 87 E N 0.910 120.978 120.200 -0.220 0.000 2.051 87 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 87 E C 2.026 178.561 176.600 -0.108 0.000 0.991 87 E CA 1.124 57.449 56.400 -0.125 0.000 0.799 87 E CB 0.205 29.837 29.700 -0.113 0.000 0.748 87 E HN 0.218 nan 8.360 nan 0.000 0.449 88 Q N -0.097 119.616 119.800 -0.145 0.000 2.167 88 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 88 Q C 2.087 178.015 176.000 -0.120 0.000 0.970 88 Q CA 1.174 56.904 55.803 -0.123 0.000 0.855 88 Q CB -0.239 28.407 28.738 -0.154 0.000 0.911 88 Q HN 0.372 nan 8.270 nan 0.000 0.438 89 A N 1.523 124.249 122.820 -0.157 0.000 1.902 89 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 89 A C 2.101 179.565 177.584 -0.201 0.000 1.181 89 A CA 1.562 53.478 52.037 -0.202 0.000 0.623 89 A CB -0.325 18.497 19.000 -0.296 0.000 0.818 89 A HN 0.251 nan 8.150 nan 0.000 0.443 90 K N -0.361 119.974 120.400 -0.108 0.000 2.057 90 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 90 K C 1.865 178.436 176.600 -0.047 0.000 1.049 90 K CA 1.384 57.632 56.287 -0.065 0.000 0.931 90 K CB -0.396 32.137 32.500 0.055 0.000 0.714 90 K HN 0.484 nan 8.250 nan 0.000 0.440 91 L N 0.460 121.665 121.223 -0.029 0.000 2.046 91 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 91 L C 2.463 179.346 176.870 0.021 0.000 1.077 91 L CA 1.053 55.900 54.840 0.011 0.000 0.747 91 L CB -0.462 41.605 42.059 0.013 0.000 0.896 91 L HN 0.111 nan 8.230 nan 0.000 0.432 92 S N 0.158 115.848 115.700 -0.016 0.000 2.356 92 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 92 S C 2.011 176.634 174.600 0.038 0.000 1.032 92 S CA 1.171 59.372 58.200 0.002 0.000 1.005 92 S CB -0.318 62.905 63.200 0.037 0.000 0.867 92 S HN 0.249 nan 8.310 nan 0.000 0.449 93 L N 1.315 122.479 121.223 -0.098 0.000 2.013 93 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 93 L C 2.687 179.552 176.870 -0.010 0.000 1.073 93 L CA 1.765 56.411 54.840 -0.324 0.000 0.753 93 L CB -0.575 41.059 42.059 -0.708 0.000 0.890 93 L HN 0.427 nan 8.230 nan 0.000 0.432 94 E N 0.268 120.498 120.200 0.050 0.000 2.058 94 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 94 E C 2.197 178.908 176.600 0.185 0.000 0.997 94 E CA 1.853 58.344 56.400 0.152 0.000 0.801 94 E CB -0.027 29.740 29.700 0.112 0.000 0.746 94 E HN 0.543 nan 8.360 nan 0.000 0.450 95 S N -0.932 114.842 115.700 0.122 0.000 2.440 95 S HA -0.164 4.306 4.470 -0.000 0.000 0.238 95 S C 1.581 176.155 174.600 -0.044 0.000 1.010 95 S CA 0.969 59.195 58.200 0.044 0.000 0.972 95 S CB -0.644 62.452 63.200 -0.172 0.000 0.774 95 S HN 0.487 nan 8.310 nan 0.000 0.501 96 W N 1.478 122.839 121.300 0.101 0.000 2.525 96 W HA 0.425 5.085 4.660 -0.000 0.000 0.288 96 W C 2.931 179.567 176.519 0.195 0.000 1.200 96 W CA 0.163 57.592 57.345 0.140 0.000 1.349 96 W CB -0.484 29.087 29.460 0.185 0.000 1.102 96 W HN 0.326 nan 8.180 nan 0.000 0.558 97 A N 0.310 123.443 122.820 0.520 0.000 1.978 97 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 97 A C 1.568 179.290 177.584 0.230 0.000 1.170 97 A CA 2.202 54.447 52.037 0.346 0.000 0.636 97 A CB -0.777 18.439 19.000 0.359 0.000 0.810 97 A HN 0.163 nan 8.150 nan 0.000 0.448 98 D N -0.592 119.950 120.400 0.238 0.000 2.178 98 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 98 D C 2.128 178.551 176.300 0.206 0.000 0.980 98 D CA 1.900 56.056 54.000 0.260 0.000 0.842 98 D CB -0.116 40.872 40.800 0.313 0.000 0.948 98 D HN 0.512 nan 8.370 nan 0.000 0.472 99 V N -2.460 117.453 119.914 -0.001 0.000 2.795 99 V HA 0.473 4.593 4.120 -0.000 0.000 0.243 99 V C 0.832 176.725 176.094 -0.335 0.000 1.069 99 V CA 0.574 62.596 62.300 -0.462 0.000 1.089 99 V CB -0.063 31.508 31.823 -0.419 0.000 0.756 99 V HN 0.070 nan 8.190 nan 0.000 0.471 100 A N -0.029 122.777 122.820 -0.024 0.000 2.322 100 A HA 0.643 4.963 4.320 -0.000 0.000 0.327 100 A C 0.068 177.686 177.584 0.057 0.000 1.134 100 A CA -0.891 51.172 52.037 0.043 0.000 0.831 100 A CB 0.975 20.093 19.000 0.196 0.000 1.288 100 A HN 0.307 nan 8.150 nan 0.000 0.472 101 K N 1.116 121.554 120.400 0.064 0.000 2.449 101 K HA 0.350 4.670 4.320 -0.000 0.000 0.237 101 K C -1.131 175.408 176.600 -0.102 0.000 1.265 101 K CA 0.187 56.483 56.287 0.016 0.000 1.193 101 K CB -0.340 32.188 32.500 0.045 0.000 1.515 101 K HN 0.353 nan 8.250 nan 0.000 0.259 102 V N 0.973 120.781 119.914 -0.177 0.000 2.638 102 V HA 0.261 4.381 4.120 -0.000 0.000 0.306 102 V C 0.103 175.903 176.094 -0.489 0.000 1.052 102 V CA -0.960 61.072 62.300 -0.448 0.000 0.885 102 V CB 2.013 33.481 31.823 -0.590 0.000 0.999 102 V HN 0.553 nan 8.190 nan 0.000 0.424 103 T N 0.798 115.008 114.554 -0.573 0.000 2.912 103 T HA 0.844 5.194 4.350 -0.000 0.000 0.288 103 T C -1.075 173.261 174.700 -0.607 0.000 1.030 103 T CA -0.531 61.331 62.100 -0.398 0.000 1.020 103 T CB 1.665 70.433 68.868 -0.167 0.000 1.056 103 T HN 0.200 nan 8.240 nan 0.000 0.480 104 F N 0.454 120.417 119.950 0.022 0.000 2.518 104 F HA 0.597 5.124 4.527 -0.000 0.000 0.323 104 F C 0.273 176.205 175.800 0.219 0.000 1.129 104 F CA -0.675 57.384 58.000 0.099 0.000 0.920 104 F CB 2.738 41.767 39.000 0.048 0.000 1.160 104 F HN 0.632 nan 8.300 nan 0.000 0.440 105 T N 1.747 116.511 114.554 0.350 0.000 2.879 105 T HA 0.204 4.554 4.350 -0.000 0.000 0.290 105 T C -0.762 173.782 174.700 -0.259 0.000 0.993 105 T CA -0.808 61.362 62.100 0.116 0.000 0.975 105 T CB 1.620 70.499 68.868 0.017 0.000 0.981 105 T HN 0.599 nan 8.240 nan 0.000 0.439 106 E N 1.973 121.829 120.200 -0.573 0.000 2.299 106 E HA 0.487 4.837 4.350 -0.000 0.000 0.272 106 E C 0.232 176.588 176.600 -0.407 0.000 1.043 106 E CA -0.063 55.747 56.400 -0.984 0.000 0.895 106 E CB 0.082 29.361 29.700 -0.701 0.000 1.011 106 E HN 0.934 nan 8.360 nan 0.000 0.432 107 G N 4.319 112.924 108.800 -0.324 0.000 2.325 107 G HA2 0.133 4.093 3.960 -0.000 0.000 0.297 107 G HA3 0.133 4.093 3.960 -0.000 0.000 0.297 107 G C -3.051 171.827 174.900 -0.037 0.000 1.448 107 G CA -0.972 44.047 45.100 -0.135 0.000 0.838 107 G HN 0.441 nan 8.290 nan 0.000 0.579 108 P HA 0.449 nan 4.420 nan 0.000 0.272 108 P C 0.313 177.458 177.300 -0.259 0.000 1.240 108 P CA 0.224 63.244 63.100 -0.134 0.000 0.791 108 P CB 0.952 32.583 31.700 -0.114 0.000 0.978 109 A N 1.312 123.755 122.820 -0.628 0.000 2.545 109 A HA 0.407 4.727 4.320 -0.000 0.000 0.253 109 A C 0.676 178.129 177.584 -0.218 0.000 1.074 109 A CA 0.366 52.078 52.037 -0.541 0.000 0.760 109 A CB -0.892 17.749 19.000 -0.599 0.000 1.005 109 A HN 0.700 nan 8.150 nan 0.000 0.506 110 A N 2.449 125.194 122.820 -0.124 0.000 2.352 110 A HA 0.807 5.127 4.320 -0.000 0.000 0.299 110 A C 1.505 179.053 177.584 -0.060 0.000 1.160 110 A CA 0.177 52.165 52.037 -0.081 0.000 0.933 110 A CB 0.180 19.143 19.000 -0.062 0.000 1.387 110 A HN 1.585 nan 8.150 nan 0.000 0.487 111 R N -0.588 119.885 120.500 -0.045 0.000 2.093 111 R HA 0.152 4.492 4.340 -0.000 0.000 0.224 111 R C 1.799 178.082 176.300 -0.027 0.000 1.101 111 R CA 1.792 57.873 56.100 -0.032 0.000 0.979 111 R CB -1.446 nan 30.300 nan 0.000 0.877 111 R HN 1.459 nan 8.270 nan 0.000 0.441 112 G N 1.062 109.843 108.800 -0.031 0.000 3.181 112 G HA2 0.122 4.082 3.960 -0.000 0.000 0.219 112 G HA3 0.122 4.082 3.960 -0.000 0.000 0.219 112 G C -0.505 174.369 174.900 -0.043 0.000 1.182 112 G CA -0.062 45.020 45.100 -0.031 0.000 0.791 112 G HN 0.509 nan 8.290 nan 0.000 0.537 113 D N 0.173 120.543 120.400 -0.051 0.000 2.354 113 D HA 0.188 4.828 4.640 -0.000 0.000 0.247 113 D C 0.342 176.594 176.300 -0.080 0.000 1.138 113 D CA -0.427 53.525 54.000 -0.079 0.000 0.958 113 D CB 1.376 42.131 40.800 -0.076 0.000 1.144 113 D HN -0.102 nan 8.370 nan 0.000 0.458 114 D N -0.607 119.706 120.400 -0.145 0.000 2.346 114 D HA 0.208 4.848 4.640 -0.000 0.000 0.206 114 D C 0.906 177.120 176.300 -0.143 0.000 1.001 114 D CA 0.418 54.351 54.000 -0.111 0.000 0.871 114 D CB 0.935 41.645 40.800 -0.150 0.000 0.943 114 D HN 0.492 nan 8.370 nan 0.000 0.518 115 G N -0.983 107.628 108.800 -0.314 0.000 2.356 115 G HA2 0.333 4.293 3.960 -0.000 0.000 0.294 115 G HA3 0.333 4.293 3.960 -0.000 0.000 0.294 115 G C -2.090 172.643 174.900 -0.279 0.000 1.423 115 G CA -0.812 44.055 45.100 -0.388 0.000 0.806 115 G HN 0.098 nan 8.290 nan 0.000 0.527 116 H N -0.710 118.241 119.070 -0.199 0.000 2.806 116 H HA 0.798 5.354 4.556 -0.000 0.000 0.367 116 H C -0.500 174.830 175.328 0.003 0.000 1.136 116 H CA -0.624 55.367 56.048 -0.095 0.000 1.178 116 H CB 1.742 31.482 29.762 -0.037 0.000 1.718 116 H HN 0.527 nan 8.280 nan 0.000 0.540 117 M N 2.592 121.852 119.600 -0.568 0.000 2.528 117 M HA 0.425 4.904 4.480 -0.000 0.000 0.321 117 M C -0.686 175.306 176.300 -0.514 0.000 1.153 117 M CA -0.837 54.238 55.300 -0.375 0.000 0.951 117 M CB 2.419 34.867 32.600 -0.253 0.000 1.705 117 M HN 0.793 nan 8.290 nan 0.000 0.451 118 T N -1.046 113.230 114.554 -0.463 0.000 2.906 118 T HA 0.804 5.154 4.350 -0.000 0.000 0.295 118 T C -1.074 173.200 174.700 -0.710 0.000 1.061 118 T CA -0.687 61.163 62.100 -0.417 0.000 1.000 118 T CB 1.307 70.035 68.868 -0.233 0.000 1.103 118 T HN 0.368 nan 8.240 nan 0.000 0.486 119 F N 0.633 120.313 119.950 -0.451 0.000 2.556 119 F HA 0.854 5.381 4.527 -0.000 0.000 0.314 119 F C 0.326 175.705 175.800 -0.702 0.000 1.106 119 F CA -0.491 57.136 58.000 -0.621 0.000 0.911 119 F CB 2.385 40.833 39.000 -0.920 0.000 1.190 119 F HN 1.161 nan 8.300 nan 0.000 0.448 120 A N 2.234 124.815 122.820 -0.399 0.000 2.586 120 A HA 0.702 5.022 4.320 -0.000 0.000 0.290 120 A C -1.783 176.026 177.584 0.376 0.000 1.086 120 A CA -0.944 51.009 52.037 -0.139 0.000 0.665 120 A CB 1.642 20.461 19.000 -0.301 0.000 1.279 120 A HN 0.596 nan 8.150 nan 0.000 0.423 121 N N -0.265 118.643 118.700 0.347 0.000 2.335 121 N HA 0.844 5.584 4.740 -0.000 0.000 0.304 121 N C -1.140 174.699 175.510 0.547 0.000 1.135 121 N CA -0.036 53.282 53.050 0.446 0.000 0.817 121 N CB 1.670 40.273 38.487 0.192 0.000 1.294 121 N HN 0.646 nan 8.380 nan 0.000 0.497 122 F N -1.759 118.429 119.950 0.398 0.000 2.664 122 F HA 0.615 5.142 4.527 -0.000 0.000 0.329 122 F C 0.942 176.893 175.800 0.251 0.000 1.090 122 F CA -1.042 57.183 58.000 0.376 0.000 0.978 122 F CB 0.893 40.139 39.000 0.409 0.000 1.378 122 F HN 0.387 nan 8.300 nan 0.000 0.495 123 S N -0.625 115.254 115.700 0.300 0.000 2.604 123 S HA 0.564 5.034 4.470 -0.000 0.000 0.235 123 S C 0.373 175.071 174.600 0.163 0.000 1.043 123 S CA 0.268 58.542 58.200 0.124 0.000 0.997 123 S CB -0.136 63.148 63.200 0.140 0.000 0.956 123 S HN 1.001 nan 8.310 nan 0.000 0.535 124 A N 1.774 124.788 122.820 0.325 0.000 2.343 124 A HA 0.665 4.985 4.320 -0.000 0.000 0.305 124 A C 1.212 178.958 177.584 0.271 0.000 1.308 124 A CA -0.282 51.902 52.037 0.246 0.000 0.949 124 A CB -0.049 19.070 19.000 0.199 0.000 1.148 124 A HN 0.269 nan 8.150 nan 0.000 0.545 125 S N 2.266 118.053 115.700 0.145 0.000 2.413 125 S HA -0.222 4.248 4.470 -0.000 0.000 0.237 125 S C 2.051 176.720 174.600 0.114 0.000 1.044 125 S CA 1.904 60.164 58.200 0.100 0.000 1.024 125 S CB -0.397 62.834 63.200 0.051 0.000 0.829 125 S HN 0.977 nan 8.310 nan 0.000 0.475 126 N N 1.244 120.000 118.700 0.094 0.000 2.585 126 N HA -0.069 4.671 4.740 -0.000 0.000 0.188 126 N C 1.426 176.955 175.510 0.032 0.000 1.102 126 N CA 1.067 54.139 53.050 0.038 0.000 0.920 126 N CB -0.573 37.916 38.487 0.003 0.000 0.963 126 N HN 0.464 nan 8.380 nan 0.000 0.447 127 G N -0.366 108.539 108.800 0.174 0.000 2.623 127 G HA2 0.363 4.323 3.960 -0.000 0.000 0.214 127 G HA3 0.363 4.323 3.960 -0.000 0.000 0.214 127 G C 0.709 175.743 174.900 0.224 0.000 1.138 127 G CA 0.403 45.579 45.100 0.126 0.000 0.794 127 G HN 0.735 nan 8.290 nan 0.000 0.535 128 G N -1.699 107.243 108.800 0.237 0.000 2.661 128 G HA2 0.304 4.264 3.960 -0.000 0.000 0.685 128 G HA3 0.304 4.264 3.960 -0.000 0.000 0.685 128 G C 0.817 175.796 174.900 0.132 0.000 1.298 128 G CA 0.045 45.224 45.100 0.131 0.000 0.855 128 G HN 1.026 nan 8.290 nan 0.000 0.560 129 A N -0.392 122.374 122.820 -0.090 0.000 1.969 129 A HA 0.704 5.024 4.320 -0.000 0.000 0.218 129 A C 1.544 179.120 177.584 -0.014 0.000 1.169 129 A CA 2.923 54.754 52.037 -0.343 0.000 0.635 129 A CB -0.331 18.438 19.000 -0.384 0.000 0.810 129 A HN 2.763 nan 8.150 nan 0.000 0.445 130 A N -2.063 120.856 122.820 0.165 0.000 2.571 130 A HA 0.559 4.879 4.320 -0.000 0.000 0.296 130 A C -0.979 176.704 177.584 0.165 0.000 1.005 130 A CA -0.184 51.906 52.037 0.089 0.000 0.682 130 A CB -0.041 18.925 19.000 -0.055 0.000 1.292 130 A HN 1.450 nan 8.150 nan 0.000 0.420 131 F N -1.620 118.316 119.950 -0.023 0.000 2.719 131 F HA 0.940 5.467 4.527 -0.000 0.000 0.309 131 F C -0.300 175.475 175.800 -0.042 0.000 1.138 131 F CA -0.406 57.562 58.000 -0.054 0.000 0.943 131 F CB 0.959 39.877 39.000 -0.137 0.000 1.304 131 F HN 1.604 nan 8.300 nan 0.000 0.445 132 A N 0.791 123.694 122.820 0.139 0.000 2.524 132 A HA 0.889 5.208 4.320 -0.000 0.000 0.286 132 A C -2.378 175.264 177.584 0.096 0.000 1.203 132 A CA -0.957 51.166 52.037 0.143 0.000 0.736 132 A CB 1.347 20.468 19.000 0.201 0.000 1.322 132 A HN 0.824 nan 8.150 nan 0.000 0.424 133 Y N -0.526 119.902 120.300 0.213 0.000 2.485 133 Y HA 0.556 5.106 4.550 -0.000 0.000 0.345 133 Y C 0.167 175.971 175.900 -0.160 0.000 0.998 133 Y CA -0.543 57.614 58.100 0.095 0.000 1.059 133 Y CB 1.740 40.257 38.460 0.095 0.000 1.234 133 Y HN 0.587 nan 8.280 nan 0.000 0.461 134 L N 4.882 126.046 121.223 -0.098 0.000 2.452 134 L HA 0.142 4.482 4.340 -0.000 0.000 0.267 134 L C -1.233 175.436 176.870 -0.335 0.000 1.188 134 L CA -1.488 53.160 54.840 -0.320 0.000 0.821 134 L CB 0.685 42.589 42.059 -0.259 0.000 1.102 134 L HN 0.508 nan 8.230 nan 0.000 0.470 135 P HA -0.120 nan 4.420 nan 0.000 0.231 135 P C 0.111 177.039 177.300 -0.620 0.000 1.158 135 P CA 0.974 63.508 63.100 -0.943 0.000 0.763 135 P CB -0.063 30.758 31.700 -1.465 0.000 0.805 136 N N -0.739 117.750 118.700 -0.352 0.000 2.273 136 N HA 0.019 4.759 4.740 -0.000 0.000 0.231 136 N C 0.054 175.489 175.510 -0.125 0.000 1.134 136 N CA -0.341 52.585 53.050 -0.206 0.000 0.856 136 N CB -0.204 38.201 38.487 -0.137 0.000 1.068 136 N HN 0.041 nan 8.380 nan 0.000 0.510 137 S N -1.456 114.166 115.700 -0.129 0.000 2.747 137 S HA 0.459 4.929 4.470 -0.000 0.000 0.300 137 S C 0.838 175.384 174.600 -0.091 0.000 1.121 137 S CA -0.503 57.653 58.200 -0.073 0.000 0.995 137 S CB 1.423 64.614 63.200 -0.015 0.000 1.113 137 S HN 0.008 nan 8.310 nan 0.000 0.547 138 S N 0.363 116.008 115.700 -0.091 0.000 2.402 138 S HA 0.028 4.498 4.470 -0.000 0.000 0.229 138 S C 1.306 175.838 174.600 -0.114 0.000 1.021 138 S CA 0.804 58.953 58.200 -0.085 0.000 0.974 138 S CB -0.361 62.790 63.200 -0.081 0.000 0.800 138 S HN 0.663 nan 8.310 nan 0.000 0.484 139 R N 1.922 122.285 120.500 -0.229 0.000 2.702 139 R HA 0.123 4.463 4.340 -0.000 0.000 0.314 139 R C -0.138 176.092 176.300 -0.116 0.000 1.152 139 R CA -0.186 55.750 56.100 -0.274 0.000 1.097 139 R CB 0.111 29.953 30.300 -0.763 0.000 1.343 139 R HN 0.447 nan 8.270 nan 0.000 0.575 140 K N -0.187 120.174 120.400 -0.065 0.000 2.527 140 K HA 0.062 4.382 4.320 -0.000 0.000 0.278 140 K C 0.784 177.452 176.600 0.115 0.000 0.981 140 K CA 0.805 57.055 56.287 -0.061 0.000 1.009 140 K CB 0.381 32.718 32.500 -0.273 0.000 0.895 140 K HN 0.181 nan 8.250 nan 0.000 0.493 141 G N 1.119 110.015 108.800 0.161 0.000 2.179 141 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 141 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 141 G C -0.413 174.495 174.900 0.013 0.000 0.977 141 G CA 0.390 45.637 45.100 0.245 0.000 0.641 141 G HN 0.735 nan 8.290 nan 0.000 0.533 142 E N 0.611 120.863 120.200 0.087 0.000 2.266 142 E HA 0.584 4.934 4.350 -0.000 0.000 0.277 142 E C 0.141 176.753 176.600 0.020 0.000 1.018 142 E CA 0.189 56.609 56.400 0.033 0.000 0.840 142 E CB 1.499 31.402 29.700 0.339 0.000 1.082 142 E HN 0.581 nan 8.360 nan 0.000 0.395 143 S N 1.686 117.207 115.700 -0.300 0.000 2.536 143 S HA 0.590 5.060 4.470 -0.000 0.000 0.271 143 S C -1.627 172.682 174.600 -0.484 0.000 1.134 143 S CA -0.993 57.051 58.200 -0.259 0.000 0.897 143 S CB 0.758 63.865 63.200 -0.155 0.000 1.094 143 S HN 0.483 nan 8.310 nan 0.000 0.473 144 W N 0.942 121.847 121.300 -0.658 0.000 2.844 144 W HA 0.699 5.359 4.660 -0.000 0.000 0.340 144 W C -1.608 174.583 176.519 -0.547 0.000 1.093 144 W CA -0.646 56.446 57.345 -0.421 0.000 1.212 144 W CB 1.452 30.507 29.460 -0.675 0.000 1.422 144 W HN 0.680 nan 8.180 nan 0.000 0.515 145 Y N 2.690 123.331 120.300 0.568 0.000 2.373 145 Y HA 0.433 4.983 4.550 -0.000 0.000 0.336 145 Y C -0.215 175.570 175.900 -0.192 0.000 0.979 145 Y CA -1.310 56.954 58.100 0.273 0.000 1.080 145 Y CB 1.147 39.763 38.460 0.260 0.000 1.190 145 Y HN 0.159 nan 8.280 nan 0.000 0.446 146 L N 5.138 126.096 121.223 -0.443 0.000 2.416 146 L HA 0.537 4.877 4.340 -0.000 0.000 0.272 146 L C -0.845 175.918 176.870 -0.177 0.000 1.161 146 L CA 0.032 54.384 54.840 -0.814 0.000 0.845 146 L CB -0.018 41.668 42.059 -0.623 0.000 1.119 146 L HN 0.594 nan 8.230 nan 0.000 0.464 147 I N 5.200 125.670 120.570 -0.167 0.000 2.611 147 I HA 0.361 4.531 4.170 -0.000 0.000 0.287 147 I C -1.255 174.862 176.117 -0.001 0.000 1.184 147 I CA -0.521 60.775 61.300 -0.008 0.000 1.054 147 I CB 1.649 39.634 38.000 -0.024 0.000 1.257 147 I HN 0.876 nan 8.210 nan 0.000 0.435 148 N N 2.445 121.171 118.700 0.044 0.000 3.106 148 N HA 0.185 4.925 4.740 -0.000 0.000 0.253 148 N C 0.080 175.616 175.510 0.043 0.000 1.506 148 N CA -0.918 52.157 53.050 0.042 0.000 0.876 148 N CB 1.208 39.726 38.487 0.051 0.000 1.452 148 N HN -0.012 nan 8.380 nan 0.000 0.542 149 K N -0.767 119.654 120.400 0.036 0.000 2.160 149 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 149 K C 0.195 176.813 176.600 0.030 0.000 1.047 149 K CA 2.271 58.573 56.287 0.025 0.000 0.930 149 K CB -1.150 31.364 32.500 0.024 0.000 0.720 149 K HN 0.617 nan 8.250 nan 0.000 0.450 150 D N -2.304 118.131 120.400 0.058 0.000 2.346 150 D HA 0.068 4.708 4.640 -0.000 0.000 0.206 150 D C -0.276 176.096 176.300 0.120 0.000 1.001 150 D CA 0.427 54.471 54.000 0.074 0.000 0.871 150 D CB 0.210 41.059 40.800 0.082 0.000 0.943 150 D HN 0.452 nan 8.370 nan 0.000 0.518 151 Y N 1.602 121.896 120.300 -0.010 0.000 2.488 151 Y HA 0.199 4.749 4.550 -0.000 0.000 0.330 151 Y C 0.464 176.351 175.900 -0.021 0.000 1.013 151 Y CA -0.415 57.678 58.100 -0.011 0.000 1.304 151 Y CB 0.880 39.333 38.460 -0.012 0.000 1.098 151 Y HN -0.303 nan 8.280 nan 0.000 0.498 152 Q N 3.544 123.130 119.800 -0.356 0.000 2.247 152 Q HA 0.026 4.366 4.340 -0.000 0.000 0.211 152 Q C 2.019 177.843 176.000 -0.294 0.000 0.861 152 Q CA 0.601 56.258 55.803 -0.244 0.000 0.949 152 Q CB 1.025 29.673 28.738 -0.149 0.000 1.115 152 Q HN 0.762 nan 8.270 nan 0.000 0.507 153 V N 0.008 119.606 119.914 -0.527 0.000 2.490 153 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 153 V C 1.234 177.250 176.094 -0.131 0.000 1.061 153 V CA 1.728 63.849 62.300 -0.299 0.000 1.064 153 V CB -0.297 31.360 31.823 -0.276 0.000 0.670 153 V HN 0.266 nan 8.190 nan 0.000 0.461 154 N N 0.527 119.198 118.700 -0.049 0.000 2.467 154 N HA -0.035 4.705 4.740 -0.000 0.000 0.184 154 N C 1.613 177.030 175.510 -0.155 0.000 1.106 154 N CA 1.091 54.119 53.050 -0.037 0.000 0.892 154 N CB -0.041 38.510 38.487 0.107 0.000 0.969 154 N HN 0.654 nan 8.380 nan 0.000 0.454 155 K N 0.899 121.215 120.400 -0.139 0.000 2.167 155 K HA -0.014 4.306 4.320 -0.000 0.000 0.203 155 K C 0.146 176.645 176.600 -0.168 0.000 1.052 155 K CA 0.936 57.127 56.287 -0.159 0.000 0.956 155 K CB 0.281 32.710 32.500 -0.118 0.000 0.735 155 K HN 0.128 nan 8.250 nan 0.000 0.451 156 T N 0.616 115.084 114.554 -0.143 0.000 3.410 156 T HA 0.366 4.716 4.350 -0.000 0.000 0.328 156 T C -2.765 171.866 174.700 -0.115 0.000 1.567 156 T CA -1.871 60.153 62.100 -0.126 0.000 1.626 156 T CB 1.150 69.962 68.868 -0.093 0.000 0.939 156 T HN -0.061 nan 8.240 nan 0.000 0.656 157 P HA 0.605 nan 4.420 nan 0.000 0.279 157 P C 0.106 177.351 177.300 -0.092 0.000 1.239 157 P CA 0.112 63.138 63.100 -0.123 0.000 0.789 157 P CB 1.520 33.117 31.700 -0.173 0.000 0.933 158 G N 0.655 109.425 108.800 -0.051 0.000 2.673 158 G HA2 0.206 4.166 3.960 -0.000 0.000 0.292 158 G HA3 0.206 4.166 3.960 -0.000 0.000 0.292 158 G C -1.028 173.877 174.900 0.008 0.000 1.450 158 G CA -0.452 44.632 45.100 -0.028 0.000 0.837 158 G HN 0.446 nan 8.290 nan 0.000 0.505 159 E N -0.020 120.192 120.200 0.021 0.000 2.765 159 E HA 0.250 4.600 4.350 -0.000 0.000 0.256 159 E C 1.490 178.133 176.600 0.072 0.000 0.935 159 E CA 2.035 58.469 56.400 0.056 0.000 0.954 159 E CB 0.455 30.190 29.700 0.057 0.000 0.908 159 E HN 1.779 nan 8.360 nan 0.000 0.500 160 G N 3.843 112.703 108.800 0.099 0.000 2.253 160 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.251 160 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.251 160 G C 0.283 175.305 174.900 0.204 0.000 0.998 160 G CA 0.568 45.746 45.100 0.130 0.000 0.621 160 G HN 0.724 nan 8.290 nan 0.000 0.524 161 N N -1.019 117.778 118.700 0.161 0.000 2.476 161 N HA 0.535 5.275 4.740 -0.000 0.000 0.276 161 N C 0.709 176.294 175.510 0.125 0.000 1.204 161 N CA -0.673 52.497 53.050 0.200 0.000 0.974 161 N CB 0.338 38.884 38.487 0.098 0.000 1.204 161 N HN 0.101 nan 8.380 nan 0.000 0.543 162 Y N -0.111 120.091 120.300 -0.164 0.000 2.352 162 Y HA 0.130 4.680 4.550 -0.000 0.000 0.292 162 Y C 2.106 177.913 175.900 -0.154 0.000 1.136 162 Y CA 1.781 59.633 58.100 -0.413 0.000 1.227 162 Y CB -0.597 37.456 38.460 -0.679 0.000 0.991 162 Y HN 0.747 nan 8.280 nan 0.000 0.545 163 G N -0.193 108.522 108.800 -0.141 0.000 2.422 163 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 163 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 163 G C 1.739 176.541 174.900 -0.162 0.000 1.146 163 G CA 1.013 46.026 45.100 -0.145 0.000 0.769 163 G HN 0.331 nan 8.290 nan 0.000 0.547 164 R N 0.239 120.666 120.500 -0.123 0.000 2.075 164 R HA 0.101 4.441 4.340 -0.000 0.000 0.226 164 R C 2.450 178.699 176.300 -0.086 0.000 1.114 164 R CA 1.700 57.750 56.100 -0.085 0.000 0.972 164 R CB -0.748 29.531 30.300 -0.035 0.000 0.869 164 R HN 0.425 nan 8.270 nan 0.000 0.437 165 Q N -0.589 119.129 119.800 -0.137 0.000 2.170 165 Q HA -0.122 4.218 4.340 -0.000 0.000 0.203 165 Q C 1.300 177.219 176.000 -0.135 0.000 0.976 165 Q CA 2.034 57.775 55.803 -0.104 0.000 0.858 165 Q CB 0.011 28.719 28.738 -0.051 0.000 0.907 165 Q HN 0.407 nan 8.270 nan 0.000 0.433 166 T N 1.295 115.625 114.554 -0.373 0.000 2.684 166 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 166 T C 1.779 176.596 174.700 0.195 0.000 1.036 166 T CA 1.315 63.301 62.100 -0.189 0.000 1.148 166 T CB -0.256 68.483 68.868 -0.215 0.000 0.863 166 T HN 0.244 nan 8.240 nan 0.000 0.436 167 L N 0.521 121.848 121.223 0.173 0.000 1.989 167 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 167 L C 2.977 180.024 176.870 0.294 0.000 1.071 167 L CA 1.423 56.420 54.840 0.261 0.000 0.749 167 L CB -1.040 41.059 42.059 0.066 0.000 0.890 167 L HN 0.282 nan 8.230 nan 0.000 0.431 168 T N -2.229 112.461 114.554 0.226 0.000 2.746 168 T HA -0.282 4.068 4.350 -0.000 0.000 0.267 168 T C 1.771 176.762 174.700 0.485 0.000 1.039 168 T CA 1.772 64.080 62.100 0.346 0.000 1.142 168 T CB -0.363 68.578 68.868 0.123 0.000 0.866 168 T HN 0.489 nan 8.240 nan 0.000 0.444 169 H N 1.126 120.341 119.070 0.243 0.000 2.293 169 H HA -0.064 4.492 4.556 -0.000 0.000 0.300 169 H C 2.292 177.740 175.328 0.199 0.000 1.082 169 H CA 1.676 57.854 56.048 0.216 0.000 1.308 169 H CB 0.089 29.930 29.762 0.132 0.000 1.375 169 H HN 0.127 nan 8.280 nan 0.000 0.495 170 E N 0.493 120.925 120.200 0.386 0.000 2.106 170 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 170 E C 2.527 179.230 176.600 0.171 0.000 0.984 170 E CA 1.075 57.652 56.400 0.295 0.000 0.806 170 E CB -0.167 29.715 29.700 0.302 0.000 0.750 170 E HN 0.639 nan 8.360 nan 0.000 0.458 171 I N 0.691 121.364 120.570 0.173 0.000 2.286 171 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 171 I C 2.438 178.395 176.117 -0.267 0.000 1.115 171 I CA 1.204 62.501 61.300 -0.005 0.000 1.392 171 I CB -0.524 37.496 38.000 0.032 0.000 1.065 171 I HN 0.102 nan 8.210 nan 0.000 0.418 172 G N -0.211 108.408 108.800 -0.302 0.000 2.418 172 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.217 172 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.217 172 G C 1.517 176.232 174.900 -0.309 0.000 1.158 172 G CA 1.049 45.782 45.100 -0.611 0.000 0.771 172 G HN 0.373 nan 8.290 nan 0.000 0.545 173 H N 1.038 119.946 119.070 -0.270 0.000 2.353 173 H HA -0.109 4.446 4.556 -0.000 0.000 0.300 173 H C 2.840 178.090 175.328 -0.130 0.000 1.090 173 H CA 2.254 58.179 56.048 -0.206 0.000 1.327 173 H CB -0.367 29.312 29.762 -0.139 0.000 1.383 173 H HN 0.388 nan 8.280 nan 0.000 0.508 174 T N -1.866 112.612 114.554 -0.127 0.000 2.962 174 T HA -0.078 4.272 4.350 -0.000 0.000 0.270 174 T C 2.040 176.694 174.700 -0.077 0.000 1.088 174 T CA 1.118 63.151 62.100 -0.111 0.000 1.127 174 T CB -0.451 68.432 68.868 0.024 0.000 0.883 174 T HN 0.322 nan 8.240 nan 0.000 0.493 175 L N 0.417 121.594 121.223 -0.076 0.000 2.478 175 L HA 0.326 4.666 4.340 -0.000 0.000 0.223 175 L C 2.138 179.006 176.870 -0.004 0.000 1.140 175 L CA 0.731 55.613 54.840 0.069 0.000 0.842 175 L CB -0.305 41.717 42.059 -0.063 0.000 0.953 175 L HN 0.663 nan 8.230 nan 0.000 0.452 176 G N -0.494 108.190 108.800 -0.194 0.000 2.205 176 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.180 176 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.180 176 G C 0.106 174.898 174.900 -0.179 0.000 1.004 176 G CA -0.633 44.337 45.100 -0.217 0.000 0.670 176 G HN 0.103 nan 8.290 nan 0.000 0.496 177 L N 2.144 123.267 121.223 -0.167 0.000 2.331 177 L HA 0.566 4.906 4.340 -0.000 0.000 0.278 177 L C 0.774 177.615 176.870 -0.048 0.000 1.106 177 L CA -0.407 54.370 54.840 -0.105 0.000 0.824 177 L CB 1.396 43.395 42.059 -0.100 0.000 1.142 177 L HN 0.137 nan 8.230 nan 0.000 0.443 178 S N 0.397 116.084 115.700 -0.022 0.000 2.693 178 S HA 0.346 4.816 4.470 -0.000 0.000 0.276 178 S C -0.370 174.149 174.600 -0.134 0.000 1.192 178 S CA -0.704 57.517 58.200 0.034 0.000 0.994 178 S CB 0.707 63.957 63.200 0.084 0.000 1.012 178 S HN 0.449 nan 8.310 nan 0.000 0.550 179 H N 1.287 120.352 119.070 -0.008 0.000 2.629 179 H HA 0.200 4.756 4.556 -0.000 0.000 0.357 179 H C -1.590 173.731 175.328 -0.012 0.000 1.121 179 H CA -1.394 54.582 56.048 -0.120 0.000 1.406 179 H CB -0.062 29.549 29.762 -0.251 0.000 1.456 179 H HN 0.347 nan 8.280 nan 0.000 0.579 180 P HA -0.159 nan 4.420 nan 0.000 0.218 180 P C 0.219 177.663 177.300 0.240 0.000 1.147 180 P CA 1.846 65.076 63.100 0.217 0.000 0.827 180 P CB 0.389 32.176 31.700 0.145 0.000 0.778 181 G N -2.510 106.398 108.800 0.181 0.000 2.708 181 G HA2 0.355 4.315 3.960 -0.000 0.000 0.289 181 G HA3 0.355 4.315 3.960 -0.000 0.000 0.289 181 G C -1.579 173.427 174.900 0.176 0.000 1.416 181 G CA -0.462 44.746 45.100 0.181 0.000 0.829 181 G HN -0.258 nan 8.290 nan 0.000 0.480 190 P HA 0.369 nan 4.420 nan 0.000 0.272 190 P C -0.658 176.676 177.300 0.056 0.000 1.223 190 P CA -0.117 63.038 63.100 0.091 0.000 0.784 190 P CB 0.834 32.659 31.700 0.208 0.000 0.923 191 T N -2.438 111.957 114.554 -0.264 0.000 2.696 191 T HA 0.162 4.512 4.350 -0.000 0.000 0.291 191 T C 0.709 174.586 174.700 -1.372 0.000 1.095 191 T CA -0.607 61.011 62.100 -0.804 0.000 1.026 191 T CB 0.524 69.152 68.868 -0.400 0.000 1.390 191 T HN 0.385 nan 8.240 nan 0.000 0.513 192 Y N 0.417 119.704 120.300 -1.688 0.000 2.333 192 Y HA -0.076 4.474 4.550 -0.000 0.000 0.290 192 Y C 3.088 178.594 175.900 -0.656 0.000 1.144 192 Y CA 1.863 59.107 58.100 -1.428 0.000 1.228 192 Y CB -0.101 37.849 38.460 -0.850 0.000 0.985 192 Y HN 0.515 nan 8.280 nan 0.000 0.542 193 R N 0.792 120.980 120.500 -0.520 0.000 2.139 193 R HA -0.164 4.176 4.340 -0.000 0.000 0.243 193 R C 1.274 177.340 176.300 -0.390 0.000 1.145 193 R CA 2.134 57.999 56.100 -0.392 0.000 0.976 193 R CB -1.141 29.022 30.300 -0.229 0.000 0.866 193 R HN 0.632 nan 8.270 nan 0.000 0.449 194 D N -0.119 120.069 120.400 -0.352 0.000 2.349 194 D HA 0.190 4.830 4.640 -0.000 0.000 0.224 194 D C 0.508 176.700 176.300 -0.180 0.000 1.029 194 D CA 0.682 54.560 54.000 -0.203 0.000 0.879 194 D CB -0.055 40.694 40.800 -0.085 0.000 0.906 194 D HN 0.551 nan 8.370 nan 0.000 0.528 195 A N 0.449 123.064 122.820 -0.340 0.000 2.425 195 A HA 0.197 4.517 4.320 -0.000 0.000 0.242 195 A C 1.554 178.973 177.584 -0.275 0.000 1.077 195 A CA -0.358 51.516 52.037 -0.272 0.000 0.781 195 A CB 0.926 19.648 19.000 -0.463 0.000 1.020 195 A HN -0.014 nan 8.150 nan 0.000 0.494 196 V N 0.422 120.225 119.914 -0.184 0.000 2.446 196 V HA 0.013 4.133 4.120 -0.000 0.000 0.244 196 V C 0.653 176.590 176.094 -0.262 0.000 1.039 196 V CA 1.907 64.137 62.300 -0.115 0.000 1.045 196 V CB -1.200 30.670 31.823 0.078 0.000 0.681 196 V HN 0.850 nan 8.190 nan 0.000 0.459 197 Y N -2.453 117.548 120.300 -0.499 0.000 2.630 197 Y HA 0.826 5.376 4.550 -0.000 0.000 0.337 197 Y C 1.003 176.661 175.900 -0.402 0.000 1.051 197 Y CA -1.002 56.646 58.100 -0.752 0.000 1.121 197 Y CB 1.135 38.766 38.460 -1.381 0.000 1.299 197 Y HN -0.154 nan 8.280 nan 0.000 0.498 198 A N 0.335 123.007 122.820 -0.247 0.000 1.929 198 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 198 A C 1.175 178.702 177.584 -0.094 0.000 1.176 198 A CA 1.270 53.230 52.037 -0.128 0.000 0.628 198 A CB -0.721 18.230 19.000 -0.082 0.000 0.816 198 A HN 0.817 nan 8.150 nan 0.000 0.444 199 E N 0.848 120.942 120.200 -0.176 0.000 2.365 199 E HA 0.040 4.390 4.350 -0.000 0.000 0.188 199 E C -0.274 176.178 176.600 -0.246 0.000 1.102 199 E CA 0.089 56.193 56.400 -0.493 0.000 0.927 199 E CB -0.225 28.971 29.700 -0.840 0.000 1.073 199 E HN 0.435 nan 8.360 nan 0.000 0.467 200 D N 1.447 121.645 120.400 -0.337 0.000 2.619 200 D HA 0.013 4.653 4.640 -0.000 0.000 0.224 200 D C -0.604 175.852 176.300 0.259 0.000 1.133 200 D CA -0.073 53.795 54.000 -0.219 0.000 1.017 200 D CB -0.346 40.123 40.800 -0.551 0.000 1.077 200 D HN 0.094 nan 8.370 nan 0.000 0.503 201 T N -1.726 112.996 114.554 0.279 0.000 2.864 201 T HA 0.381 4.731 4.350 -0.000 0.000 0.299 201 T C 0.971 175.845 174.700 0.290 0.000 1.166 201 T CA -0.957 61.315 62.100 0.287 0.000 1.007 201 T CB 1.377 70.365 68.868 0.201 0.000 1.219 201 T HN 0.058 nan 8.240 nan 0.000 0.506 202 R N -0.060 120.569 120.500 0.215 0.000 2.377 202 R HA 0.123 4.463 4.340 -0.000 0.000 0.207 202 R C 2.034 178.486 176.300 0.254 0.000 1.075 202 R CA 0.915 57.157 56.100 0.236 0.000 1.035 202 R CB -0.573 29.871 30.300 0.241 0.000 0.857 202 R HN 0.764 nan 8.270 nan 0.000 0.475 203 A N -0.959 121.974 122.820 0.188 0.000 2.123 203 A HA -0.032 4.288 4.320 -0.000 0.000 0.214 203 A C 0.914 178.481 177.584 -0.027 0.000 1.152 203 A CA 0.638 52.727 52.037 0.087 0.000 0.728 203 A CB 0.088 18.955 19.000 -0.222 0.000 0.814 203 A HN 0.361 nan 8.150 nan 0.000 0.464 204 Y N -1.871 118.578 120.300 0.250 0.000 2.526 204 Y HA 0.362 4.911 4.550 -0.000 0.000 0.265 204 Y C 0.870 176.918 175.900 0.245 0.000 1.092 204 Y CA 0.461 58.743 58.100 0.303 0.000 1.277 204 Y CB 0.706 39.352 38.460 0.309 0.000 1.228 204 Y HN 0.194 nan 8.280 nan 0.000 0.507 205 S N -0.091 115.830 115.700 0.369 0.000 2.566 205 S HA 0.308 4.778 4.470 -0.000 0.000 0.273 205 S C 0.418 175.154 174.600 0.228 0.000 1.157 205 S CA -0.528 57.833 58.200 0.267 0.000 0.938 205 S CB 1.226 64.587 63.200 0.269 0.000 1.087 205 S HN 0.151 nan 8.310 nan 0.000 0.474 206 V N 3.560 123.594 119.914 0.199 0.000 3.305 206 V HA 0.049 4.169 4.120 -0.000 0.000 0.269 206 V C 1.518 177.795 176.094 0.304 0.000 1.157 206 V CA 0.912 63.355 62.300 0.238 0.000 1.157 206 V CB -0.759 31.183 31.823 0.199 0.000 0.772 206 V HN 0.819 nan 8.190 nan 0.000 0.498 207 M N 0.668 120.368 119.600 0.167 0.000 2.558 207 M HA 0.227 4.707 4.480 -0.000 0.000 0.255 207 M C 1.266 177.565 176.300 -0.001 0.000 1.113 207 M CA 0.555 55.861 55.300 0.012 0.000 1.097 207 M CB -0.717 31.776 32.600 -0.180 0.000 1.426 207 M HN 0.523 nan 8.290 nan 0.000 0.488 208 S N -0.131 115.584 115.700 0.025 0.000 2.585 208 S HA 0.104 4.574 4.470 -0.000 0.000 0.273 208 S C 0.477 174.941 174.600 -0.227 0.000 1.339 208 S CA -0.238 57.879 58.200 -0.138 0.000 1.028 208 S CB 0.688 63.903 63.200 0.025 0.000 0.906 208 S HN 0.303 nan 8.310 nan 0.000 0.528 209 Y N 1.340 121.280 120.300 -0.601 0.000 2.478 209 Y HA 0.325 4.875 4.550 -0.000 0.000 0.261 209 Y C 0.171 175.598 175.900 -0.787 0.000 1.127 209 Y CA -0.979 56.613 58.100 -0.847 0.000 1.288 209 Y CB -0.129 37.513 38.460 -1.364 0.000 1.084 209 Y HN 0.567 nan 8.280 nan 0.000 0.530 210 W N 0.414 121.870 121.300 0.259 0.000 2.449 210 W HA 0.509 5.169 4.660 -0.000 0.000 0.331 210 W C 0.523 177.089 176.519 0.078 0.000 1.119 210 W CA -1.248 56.188 57.345 0.151 0.000 1.240 210 W CB 0.750 30.309 29.460 0.165 0.000 1.251 210 W HN -0.268 nan 8.180 nan 0.000 0.576 211 S N 1.080 116.928 115.700 0.247 0.000 2.603 211 S HA -0.008 4.462 4.470 -0.000 0.000 0.268 211 S C 1.257 175.825 174.600 -0.053 0.000 1.317 211 S CA -0.277 57.965 58.200 0.071 0.000 1.012 211 S CB 1.258 64.470 63.200 0.020 0.000 0.926 211 S HN 0.659 nan 8.310 nan 0.000 0.539 212 E N 1.420 121.505 120.200 -0.192 0.000 2.267 212 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 212 E C 1.717 178.131 176.600 -0.310 0.000 0.998 212 E CA 1.612 57.802 56.400 -0.349 0.000 0.830 212 E CB -0.850 28.297 29.700 -0.922 0.000 0.751 212 E HN 0.758 nan 8.360 nan 0.000 0.491 213 K N 1.291 121.536 120.400 -0.258 0.000 2.280 213 K HA -0.070 4.250 4.320 -0.000 0.000 0.202 213 K C 1.531 178.006 176.600 -0.208 0.000 1.047 213 K CA 1.242 57.406 56.287 -0.205 0.000 0.942 213 K CB -1.059 31.351 32.500 -0.149 0.000 0.739 213 K HN 0.361 nan 8.250 nan 0.000 0.457 214 N N 1.036 119.562 118.700 -0.289 0.000 2.309 214 N HA -0.083 4.657 4.740 -0.000 0.000 0.182 214 N C 1.367 176.652 175.510 -0.375 0.000 1.018 214 N CA 1.949 54.707 53.050 -0.486 0.000 0.876 214 N CB -0.205 37.640 38.487 -1.071 0.000 0.972 214 N HN 0.817 nan 8.380 nan 0.000 0.434 215 T N -3.287 111.134 114.554 -0.221 0.000 3.145 215 T HA 0.428 4.778 4.350 -0.000 0.000 0.255 215 T C 1.278 175.969 174.700 -0.015 0.000 1.039 215 T CA 0.300 62.364 62.100 -0.061 0.000 0.928 215 T CB 0.667 69.604 68.868 0.114 0.000 1.029 215 T HN 0.259 nan 8.240 nan 0.000 0.554 216 G N 0.935 109.696 108.800 -0.065 0.000 2.225 216 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 216 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 216 G C 0.031 174.923 174.900 -0.013 0.000 0.988 216 G CA -0.131 44.960 45.100 -0.015 0.000 0.625 216 G HN 0.618 nan 8.290 nan 0.000 0.527 217 Q N -0.306 119.443 119.800 -0.086 0.000 2.474 217 Q HA 0.563 4.903 4.340 -0.000 0.000 0.256 217 Q C 0.179 176.046 176.000 -0.223 0.000 1.048 217 Q CA 0.306 56.026 55.803 -0.139 0.000 0.922 217 Q CB 1.557 30.085 28.738 -0.350 0.000 1.288 217 Q HN 0.374 nan 8.270 nan 0.000 0.484 218 V N 3.441 123.307 119.914 -0.080 0.000 2.447 218 V HA 0.240 4.360 4.120 -0.000 0.000 0.292 218 V C -0.632 175.591 176.094 0.215 0.000 1.021 218 V CA -0.323 61.959 62.300 -0.031 0.000 0.850 218 V CB 0.819 32.640 31.823 -0.003 0.000 1.005 218 V HN 0.718 nan 8.190 nan 0.000 0.426 219 F N 1.690 121.582 119.950 -0.095 0.000 2.490 219 F HA 0.356 4.883 4.527 -0.000 0.000 0.280 219 F C 1.282 177.018 175.800 -0.105 0.000 1.030 219 F CA 0.517 58.448 58.000 -0.114 0.000 1.367 219 F CB 0.129 39.049 39.000 -0.133 0.000 1.131 219 F HN 0.507 nan 8.300 nan 0.000 0.632 220 T N -0.859 113.758 114.554 0.105 0.000 2.696 220 T HA 0.447 4.797 4.350 -0.000 0.000 0.291 220 T C -1.474 173.226 174.700 -0.001 0.000 1.095 220 T CA -0.629 61.488 62.100 0.029 0.000 1.026 220 T CB 2.244 71.118 68.868 0.010 0.000 1.390 220 T HN -0.028 nan 8.240 nan 0.000 0.513 221 K N 0.602 120.999 120.400 -0.005 0.000 2.328 221 K HA 0.581 4.901 4.320 -0.000 0.000 0.246 221 K C -0.512 176.084 176.600 -0.007 0.000 0.955 221 K CA -0.473 55.808 56.287 -0.009 0.000 0.817 221 K CB 1.618 34.113 32.500 -0.007 0.000 1.208 221 K HN 0.647 nan 8.250 nan 0.000 0.432 222 T N 1.483 116.032 114.554 -0.008 0.000 2.903 222 T HA 0.081 4.431 4.350 -0.000 0.000 0.299 222 T C 1.042 175.744 174.700 0.004 0.000 1.041 222 T CA 1.955 64.053 62.100 -0.002 0.000 1.138 222 T CB 0.126 68.992 68.868 -0.004 0.000 1.040 222 T HN 0.914 nan 8.240 nan 0.000 0.524 223 G N 3.111 111.917 108.800 0.011 0.000 2.345 223 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 223 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 223 G C -0.083 174.831 174.900 0.023 0.000 1.058 223 G CA 0.021 45.130 45.100 0.015 0.000 0.632 223 G HN 0.700 nan 8.290 nan 0.000 0.508 224 E N 0.266 120.479 120.200 0.022 0.000 2.212 224 E HA 0.571 4.921 4.350 -0.000 0.000 0.270 224 E C -0.004 176.617 176.600 0.035 0.000 0.956 224 E CA -0.387 56.032 56.400 0.031 0.000 0.825 224 E CB 1.927 31.640 29.700 0.022 0.000 1.167 224 E HN 0.535 nan 8.360 nan 0.000 0.400 225 G N 0.110 108.950 108.800 0.067 0.000 2.609 225 G HA2 0.573 4.533 3.960 -0.000 0.000 0.308 225 G HA3 0.573 4.533 3.960 -0.000 0.000 0.308 225 G C -1.251 173.652 174.900 0.006 0.000 1.369 225 G CA -0.538 44.606 45.100 0.073 0.000 0.958 225 G HN 0.472 nan 8.290 nan 0.000 0.499 226 A N 2.275 124.945 122.820 -0.250 0.000 2.332 226 A HA 0.798 5.118 4.320 -0.000 0.000 0.300 226 A C -1.575 175.772 177.584 -0.396 0.000 1.153 226 A CA -0.597 51.342 52.037 -0.164 0.000 0.764 226 A CB 0.844 19.804 19.000 -0.066 0.000 1.174 226 A HN 0.658 nan 8.150 nan 0.000 0.467 227 Y N 1.125 121.508 120.300 0.137 0.000 2.425 227 Y HA 0.586 5.136 4.550 -0.000 0.000 0.344 227 Y C 0.686 176.638 175.900 0.087 0.000 0.969 227 Y CA -0.571 57.626 58.100 0.161 0.000 1.052 227 Y CB 2.127 40.715 38.460 0.214 0.000 1.215 227 Y HN 0.870 nan 8.280 nan 0.000 0.451 228 A N 1.477 124.414 122.820 0.195 0.000 2.520 228 A HA 0.237 4.557 4.320 -0.000 0.000 0.245 228 A C 0.793 178.394 177.584 0.029 0.000 1.072 228 A CA 0.185 52.264 52.037 0.069 0.000 0.761 228 A CB 0.141 19.173 19.000 0.054 0.000 1.004 228 A HN 0.897 nan 8.150 nan 0.000 0.499 229 S N 1.049 116.711 115.700 -0.064 0.000 2.446 229 S HA 0.303 4.773 4.470 -0.000 0.000 0.225 229 S C 1.005 175.386 174.600 -0.365 0.000 1.016 229 S CA 0.811 58.935 58.200 -0.127 0.000 0.943 229 S CB -0.037 63.152 63.200 -0.019 0.000 0.786 229 S HN 1.107 nan 8.310 nan 0.000 0.508 230 A N 1.426 123.849 122.820 -0.663 0.000 2.387 230 A HA 0.752 5.072 4.320 -0.000 0.000 0.303 230 A C -2.972 174.242 177.584 -0.617 0.000 1.145 230 A CA -2.123 49.368 52.037 -0.909 0.000 0.801 230 A CB 0.187 18.067 19.000 -1.867 0.000 1.342 230 A HN 0.003 nan 8.150 nan 0.000 0.440 231 P HA 0.243 nan 4.420 nan 0.000 0.265 231 P C -0.631 176.517 177.300 -0.254 0.000 1.193 231 P CA 0.438 63.193 63.100 -0.574 0.000 0.765 231 P CB 0.279 31.434 31.700 -0.908 0.000 0.823 232 L N 2.769 123.942 121.223 -0.084 0.000 2.569 232 L HA 0.242 4.582 4.340 -0.000 0.000 0.247 232 L C 1.952 178.860 176.870 0.063 0.000 1.135 232 L CA -0.841 54.015 54.840 0.027 0.000 0.812 232 L CB -0.076 42.050 42.059 0.111 0.000 1.431 232 L HN 0.262 nan 8.230 nan 0.000 0.499 233 L N 0.738 122.012 121.223 0.086 0.000 2.010 233 L HA -0.298 4.042 4.340 -0.000 0.000 0.219 233 L C 1.873 178.820 176.870 0.128 0.000 1.077 233 L CA 2.181 57.066 54.840 0.076 0.000 0.773 233 L CB -0.586 41.478 42.059 0.010 0.000 0.892 233 L HN 0.642 nan 8.230 nan 0.000 0.436 234 D N -0.734 119.790 120.400 0.206 0.000 2.144 234 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 234 D C 1.852 178.245 176.300 0.154 0.000 0.978 234 D CA 1.238 55.355 54.000 0.195 0.000 0.833 234 D CB -0.332 40.629 40.800 0.269 0.000 0.961 234 D HN 0.461 nan 8.370 nan 0.000 0.470 235 D N 0.595 121.089 120.400 0.157 0.000 2.104 235 D HA -0.114 4.526 4.640 -0.000 0.000 0.194 235 D C 2.327 178.727 176.300 0.167 0.000 0.994 235 D CA 0.537 54.648 54.000 0.185 0.000 0.830 235 D CB -0.253 40.633 40.800 0.145 0.000 0.959 235 D HN 0.279 nan 8.370 nan 0.000 0.452 236 I N 1.433 122.043 120.570 0.067 0.000 2.208 236 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 236 I C 2.567 178.689 176.117 0.008 0.000 1.097 236 I CA 1.187 62.493 61.300 0.010 0.000 1.363 236 I CB -0.264 37.722 38.000 -0.023 0.000 1.051 236 I HN -0.068 nan 8.210 nan 0.000 0.413 237 A N 0.581 123.424 122.820 0.038 0.000 1.930 237 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 237 A C 2.533 180.130 177.584 0.022 0.000 1.175 237 A CA 1.580 53.632 52.037 0.025 0.000 0.627 237 A CB -0.695 18.332 19.000 0.045 0.000 0.815 237 A HN 0.422 nan 8.150 nan 0.000 0.443 238 A N -0.872 121.979 122.820 0.052 0.000 1.930 238 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 238 A C 2.266 179.860 177.584 0.017 0.000 1.175 238 A CA 1.659 53.715 52.037 0.031 0.000 0.627 238 A CB -0.844 18.189 19.000 0.056 0.000 0.815 238 A HN 0.692 nan 8.150 nan 0.000 0.443 239 V N -0.247 119.726 119.914 0.098 0.000 2.719 239 V HA -0.186 3.934 4.120 -0.000 0.000 0.252 239 V C 2.239 178.363 176.094 0.051 0.000 1.065 239 V CA 2.158 64.529 62.300 0.118 0.000 1.086 239 V CB -0.480 31.559 31.823 0.360 0.000 0.700 239 V HN 0.699 nan 8.190 nan 0.000 0.467 240 Q N -0.431 119.371 119.800 0.003 0.000 2.245 240 Q HA -0.159 4.181 4.340 -0.000 0.000 0.201 240 Q C 2.195 178.168 176.000 -0.045 0.000 0.955 240 Q CA 1.252 57.033 55.803 -0.038 0.000 0.870 240 Q CB -0.118 28.551 28.738 -0.116 0.000 0.945 240 Q HN 0.572 nan 8.270 nan 0.000 0.461 241 K N 0.564 120.928 120.400 -0.060 0.000 2.148 241 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 241 K C 1.749 178.266 176.600 -0.138 0.000 1.050 241 K CA 0.690 56.933 56.287 -0.073 0.000 0.942 241 K CB 0.166 32.627 32.500 -0.066 0.000 0.724 241 K HN 0.078 nan 8.250 nan 0.000 0.446 242 L N -0.166 120.907 121.223 -0.249 0.000 2.049 242 L HA -0.081 4.259 4.340 -0.000 0.000 0.203 242 L C 1.238 177.756 176.870 -0.588 0.000 1.074 242 L CA 1.628 56.147 54.840 -0.535 0.000 0.749 242 L CB -0.168 41.355 42.059 -0.892 0.000 0.907 242 L HN 0.188 nan 8.230 nan 0.000 0.439 243 Y N -0.972 119.331 120.300 0.005 0.000 2.500 243 Y HA 0.594 5.144 4.550 -0.000 0.000 0.246 243 Y C 1.005 176.905 175.900 0.000 0.000 1.146 243 Y CA -0.325 57.779 58.100 0.005 0.000 1.230 243 Y CB -0.149 38.311 38.460 -0.001 0.000 1.214 243 Y HN 0.069 nan 8.280 nan 0.000 0.526 244 G N 1.025 109.875 108.800 0.084 0.000 2.777 244 G HA2 0.141 4.101 3.960 -0.000 0.000 0.686 244 G HA3 0.141 4.101 3.960 -0.000 0.000 0.686 244 G C -0.219 174.703 174.900 0.037 0.000 1.177 244 G CA -0.830 44.306 45.100 0.059 0.000 0.775 244 G HN 0.579 nan 8.290 nan 0.000 0.613 245 A N 1.310 124.136 122.820 0.011 0.000 2.407 245 A HA 0.602 4.922 4.320 -0.000 0.000 0.248 245 A C 0.764 178.403 177.584 0.091 0.000 1.082 245 A CA 0.324 52.326 52.037 -0.057 0.000 0.785 245 A CB 0.583 19.572 19.000 -0.018 0.000 1.020 245 A HN 1.585 nan 8.150 nan 0.000 0.489 246 N N 2.338 121.101 118.700 0.105 0.000 2.558 246 N HA 0.220 4.960 4.740 -0.000 0.000 0.233 246 N C 0.143 175.953 175.510 0.500 0.000 1.038 246 N CA -0.199 53.001 53.050 0.248 0.000 0.934 246 N CB 0.100 38.708 38.487 0.202 0.000 1.175 246 N HN 0.574 nan 8.380 nan 0.000 0.512 247 L N 1.764 123.209 121.223 0.371 0.000 2.599 247 L HA 0.118 4.458 4.340 -0.000 0.000 0.230 247 L C 1.400 178.375 176.870 0.174 0.000 1.141 247 L CA 0.419 55.442 54.840 0.305 0.000 0.877 247 L CB 0.052 42.234 42.059 0.206 0.000 1.009 247 L HN 0.476 nan 8.230 nan 0.000 0.447 248 E N -0.596 119.713 120.200 0.182 0.000 2.447 248 E HA 0.030 4.380 4.350 -0.000 0.000 0.195 248 E C 0.361 177.031 176.600 0.117 0.000 1.028 248 E CA 0.068 56.538 56.400 0.117 0.000 0.876 248 E CB 0.264 30.024 29.700 0.101 0.000 0.885 248 E HN 0.283 nan 8.360 nan 0.000 0.500 249 T N 2.007 116.676 114.554 0.192 0.000 2.817 249 T HA 0.071 4.421 4.350 -0.000 0.000 0.295 249 T C 0.233 174.976 174.700 0.070 0.000 0.958 249 T CA -0.037 62.176 62.100 0.189 0.000 1.157 249 T CB 0.212 69.310 68.868 0.384 0.000 0.898 249 T HN 0.172 nan 8.240 nan 0.000 0.536 250 R N 1.246 121.774 120.500 0.046 0.000 3.225 250 R HA -0.235 4.105 4.340 -0.000 0.000 0.245 250 R C 0.991 177.263 176.300 -0.047 0.000 0.928 250 R CA 0.403 56.495 56.100 -0.013 0.000 0.632 250 R CB -1.753 28.542 30.300 -0.008 0.000 1.038 250 R HN 0.762 nan 8.270 nan 0.000 0.461 251 A N 0.578 123.379 122.820 -0.031 0.000 2.238 251 A HA -0.026 4.294 4.320 -0.000 0.000 0.208 251 A C 0.635 178.194 177.584 -0.042 0.000 1.177 251 A CA 0.587 52.598 52.037 -0.043 0.000 0.804 251 A CB -0.025 18.966 19.000 -0.015 0.000 0.823 251 A HN 0.565 nan 8.150 nan 0.000 0.482 252 D N -0.687 119.686 120.400 -0.045 0.000 2.272 252 D HA 0.258 4.898 4.640 -0.000 0.000 0.247 252 D C -1.338 174.925 176.300 -0.062 0.000 0.990 252 D CA -0.835 53.137 54.000 -0.046 0.000 0.931 252 D CB 0.297 41.071 40.800 -0.043 0.000 1.195 252 D HN -0.100 nan 8.370 nan 0.000 0.477 253 D N 0.547 120.913 120.400 -0.057 0.000 2.661 253 D HA 0.078 4.718 4.640 -0.000 0.000 0.244 253 D C -0.284 175.953 176.300 -0.105 0.000 1.196 253 D CA 0.838 54.799 54.000 -0.065 0.000 0.881 253 D CB -0.059 40.709 40.800 -0.054 0.000 1.141 253 D HN 0.195 nan 8.370 nan 0.000 0.530 254 T N 1.449 115.926 114.554 -0.127 0.000 2.856 254 T HA 0.517 4.867 4.350 -0.000 0.000 0.283 254 T C -0.070 174.445 174.700 -0.307 0.000 1.008 254 T CA -0.742 61.199 62.100 -0.265 0.000 0.997 254 T CB 1.809 70.460 68.868 -0.362 0.000 0.992 254 T HN -0.040 nan 8.240 nan 0.000 0.454 255 V N 3.393 123.055 119.914 -0.420 0.000 2.417 255 V HA 0.490 4.610 4.120 -0.000 0.000 0.291 255 V C -1.256 174.523 176.094 -0.524 0.000 1.024 255 V CA -0.823 61.284 62.300 -0.321 0.000 0.861 255 V CB 0.865 32.569 31.823 -0.198 0.000 0.985 255 V HN 0.792 nan 8.190 nan 0.000 0.436 256 Y N 2.484 122.651 120.300 -0.222 0.000 2.446 256 Y HA 0.826 5.376 4.550 -0.000 0.000 0.338 256 Y C 0.950 176.767 175.900 -0.139 0.000 1.055 256 Y CA 0.597 58.548 58.100 -0.249 0.000 1.101 256 Y CB 1.971 40.209 38.460 -0.369 0.000 1.221 256 Y HN 0.941 nan 8.280 nan 0.000 0.460 257 G N 1.171 110.035 108.800 0.108 0.000 2.578 257 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.232 257 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.232 257 G C -0.786 174.059 174.900 -0.092 0.000 1.176 257 G CA -0.817 44.369 45.100 0.143 0.000 0.968 257 G HN 0.432 nan 8.290 nan 0.000 0.583 258 F N 2.897 122.849 119.950 0.003 0.000 2.459 258 F HA 0.378 4.905 4.527 -0.000 0.000 0.346 258 F C 1.693 177.444 175.800 -0.083 0.000 1.128 258 F CA 0.966 58.928 58.000 -0.064 0.000 1.268 258 F CB 0.496 39.433 39.000 -0.104 0.000 1.161 258 F HN 0.554 nan 8.300 nan 0.000 0.583 259 N N 0.065 118.808 118.700 0.071 0.000 2.714 259 N HA -0.234 4.506 4.740 -0.000 0.000 0.250 259 N C 0.051 175.520 175.510 -0.068 0.000 1.117 259 N CA 0.749 53.797 53.050 -0.003 0.000 0.719 259 N CB -1.380 37.108 38.487 0.001 0.000 1.081 259 N HN 0.506 nan 8.380 nan 0.000 0.557 260 S N 0.127 115.768 115.700 -0.098 0.000 2.558 260 S HA 0.183 4.653 4.470 -0.000 0.000 0.287 260 S C 1.456 175.944 174.600 -0.187 0.000 1.321 260 S CA 1.020 59.119 58.200 -0.169 0.000 1.048 260 S CB 0.624 63.724 63.200 -0.166 0.000 0.844 260 S HN 0.450 nan 8.310 nan 0.000 0.512 261 T N 0.813 115.208 114.554 -0.265 0.000 3.111 261 T HA 0.442 4.792 4.350 -0.000 0.000 0.284 261 T C 1.163 175.699 174.700 -0.274 0.000 0.983 261 T CA 0.199 62.161 62.100 -0.229 0.000 0.900 261 T CB 0.046 68.790 68.868 -0.205 0.000 1.132 261 T HN 0.623 nan 8.240 nan 0.000 0.531 262 A N 1.766 124.364 122.820 -0.370 0.000 2.119 262 A HA 0.257 4.577 4.320 -0.000 0.000 0.217 262 A C 1.085 178.566 177.584 -0.171 0.000 1.153 262 A CA 0.779 52.611 52.037 -0.341 0.000 0.692 262 A CB -0.838 17.882 19.000 -0.466 0.000 0.799 262 A HN 0.626 nan 8.150 nan 0.000 0.458 263 D N -1.239 119.061 120.400 -0.167 0.000 2.705 263 D HA -0.134 4.506 4.640 -0.000 0.000 0.240 263 D C -0.545 175.654 176.300 -0.168 0.000 1.137 263 D CA 0.689 54.607 54.000 -0.136 0.000 0.677 263 D CB -0.638 40.104 40.800 -0.097 0.000 1.049 263 D HN 0.360 nan 8.370 nan 0.000 0.427 264 R N 0.394 120.738 120.500 -0.260 0.000 2.510 264 R HA 0.180 4.520 4.340 -0.000 0.000 0.287 264 R C 0.763 176.742 176.300 -0.535 0.000 1.084 264 R CA -0.165 55.630 56.100 -0.509 0.000 0.934 264 R CB 1.336 31.102 30.300 -0.890 0.000 1.201 264 R HN 0.138 nan 8.270 nan 0.000 0.431 265 D N 2.512 122.681 120.400 -0.386 0.000 2.158 265 D HA -0.228 4.412 4.640 -0.000 0.000 0.197 265 D C 1.379 177.562 176.300 -0.195 0.000 0.995 265 D CA 1.613 55.485 54.000 -0.213 0.000 0.846 265 D CB -0.395 40.357 40.800 -0.081 0.000 0.941 265 D HN 0.579 nan 8.370 nan 0.000 0.456 266 F N -1.620 118.248 119.950 -0.137 0.000 2.604 266 F HA 0.152 4.679 4.527 -0.000 0.000 0.298 266 F C 1.164 176.896 175.800 -0.114 0.000 1.131 266 F CA -0.139 57.785 58.000 -0.126 0.000 1.457 266 F CB -0.777 38.103 39.000 -0.201 0.000 1.095 266 F HN -0.174 nan 8.300 nan 0.000 0.574 267 Y N 0.513 120.570 120.300 -0.404 0.000 2.485 267 Y HA 0.326 4.876 4.550 -0.000 0.000 0.260 267 Y C 0.860 176.639 175.900 -0.202 0.000 1.173 267 Y CA -1.157 56.674 58.100 -0.447 0.000 1.252 267 Y CB -0.298 37.908 38.460 -0.422 0.000 1.123 267 Y HN 0.107 nan 8.280 nan 0.000 0.524 268 S N 0.910 116.606 115.700 -0.006 0.000 2.451 268 S HA 0.834 5.304 4.470 -0.000 0.000 0.301 268 S C -0.474 174.079 174.600 -0.079 0.000 1.116 268 S CA -0.443 57.724 58.200 -0.056 0.000 1.093 268 S CB 0.629 63.766 63.200 -0.105 0.000 1.017 268 S HN 0.203 nan 8.310 nan 0.000 0.482 269 A N 3.047 125.716 122.820 -0.250 0.000 2.371 269 A HA 0.708 5.028 4.320 -0.000 0.000 0.311 269 A C 0.554 177.781 177.584 -0.596 0.000 1.068 269 A CA -0.387 51.347 52.037 -0.504 0.000 0.744 269 A CB 1.385 19.808 19.000 -0.961 0.000 1.239 269 A HN 1.066 nan 8.150 nan 0.000 0.435 270 T N -2.312 112.044 114.554 -0.329 0.000 3.087 270 T HA 0.455 4.805 4.350 -0.000 0.000 0.283 270 T C 0.305 175.047 174.700 0.069 0.000 0.956 270 T CA 0.515 62.557 62.100 -0.095 0.000 0.894 270 T CB -0.207 68.636 68.868 -0.043 0.000 1.160 270 T HN 1.149 nan 8.240 nan 0.000 0.532 271 S N 0.451 116.193 115.700 0.069 0.000 2.556 271 S HA 0.520 4.990 4.470 -0.000 0.000 0.271 271 S C 1.010 175.764 174.600 0.258 0.000 1.135 271 S CA 0.106 58.409 58.200 0.172 0.000 0.858 271 S CB 1.765 65.026 63.200 0.101 0.000 1.114 271 S HN 0.320 nan 8.310 nan 0.000 0.468 272 S N 1.405 117.247 115.700 0.237 0.000 2.474 272 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 272 S C 1.516 176.372 174.600 0.427 0.000 0.997 272 S CA 1.497 59.889 58.200 0.320 0.000 0.949 272 S CB -0.985 62.328 63.200 0.189 0.000 0.766 272 S HN 0.973 nan 8.310 nan 0.000 0.517 273 T N -1.492 113.224 114.554 0.271 0.000 3.107 273 T HA 0.157 4.507 4.350 -0.000 0.000 0.249 273 T C -0.034 174.793 174.700 0.213 0.000 1.096 273 T CA -0.366 61.858 62.100 0.206 0.000 1.012 273 T CB -0.461 68.478 68.868 0.117 0.000 0.977 273 T HN 0.105 nan 8.240 nan 0.000 0.527 274 D N 2.810 123.384 120.400 0.291 0.000 2.472 274 D HA 0.125 4.765 4.640 -0.000 0.000 0.237 274 D C 0.045 176.466 176.300 0.201 0.000 1.141 274 D CA 0.511 54.647 54.000 0.227 0.000 0.875 274 D CB 0.621 41.535 40.800 0.188 0.000 1.192 274 D HN 0.400 nan 8.370 nan 0.000 0.450 275 K N 2.752 123.203 120.400 0.086 0.000 2.404 275 K HA 0.333 4.653 4.320 -0.000 0.000 0.257 275 K C -0.353 176.230 176.600 -0.029 0.000 1.026 275 K CA -0.523 55.754 56.287 -0.017 0.000 0.951 275 K CB 1.012 33.489 32.500 -0.039 0.000 1.203 275 K HN 0.240 nan 8.250 nan 0.000 0.446 276 L N 4.250 125.440 121.223 -0.055 0.000 2.326 276 L HA 0.521 4.861 4.340 -0.000 0.000 0.278 276 L C 0.061 176.755 176.870 -0.294 0.000 1.092 276 L CA -0.648 54.167 54.840 -0.041 0.000 0.810 276 L CB 0.557 42.644 42.059 0.046 0.000 1.153 276 L HN 0.484 nan 8.230 nan 0.000 0.439 277 I N 4.520 124.968 120.570 -0.204 0.000 2.586 277 I HA 0.338 4.508 4.170 -0.000 0.000 0.281 277 I C -0.974 175.130 176.117 -0.022 0.000 1.145 277 I CA -0.278 60.820 61.300 -0.336 0.000 1.073 277 I CB 1.090 38.843 38.000 -0.412 0.000 1.238 277 I HN 0.448 nan 8.210 nan 0.000 0.461 278 F N 2.842 122.797 119.950 0.008 0.000 2.779 278 F HA 0.772 5.299 4.527 -0.000 0.000 0.316 278 F C -1.113 174.752 175.800 0.107 0.000 1.164 278 F CA -1.402 56.649 58.000 0.084 0.000 0.924 278 F CB 1.583 40.756 39.000 0.287 0.000 1.348 278 F HN 0.098 nan 8.300 nan 0.000 0.467 279 S N 1.039 117.061 115.700 0.536 0.000 2.594 279 S HA 0.710 5.180 4.470 -0.000 0.000 0.296 279 S C -1.441 173.419 174.600 0.434 0.000 1.124 279 S CA -0.561 57.838 58.200 0.332 0.000 1.011 279 S CB 1.214 64.492 63.200 0.130 0.000 1.016 279 S HN 0.702 nan 8.310 nan 0.000 0.485 280 V N 6.252 126.327 119.914 0.269 0.000 2.555 280 V HA 0.355 4.475 4.120 -0.000 0.000 0.286 280 V C -0.028 176.129 176.094 0.105 0.000 1.044 280 V CA -0.354 61.929 62.300 -0.028 0.000 1.026 280 V CB 0.612 32.195 31.823 -0.400 0.000 0.981 280 V HN 0.842 nan 8.190 nan 0.000 0.480 281 W N 5.868 127.161 121.300 -0.013 0.000 2.656 281 W HA 0.570 5.230 4.660 -0.000 0.000 0.327 281 W C -1.480 175.058 176.519 0.032 0.000 1.041 281 W CA -0.622 56.749 57.345 0.042 0.000 1.229 281 W CB 1.852 31.385 29.460 0.122 0.000 1.397 281 W HN 0.629 nan 8.180 nan 0.000 0.479 282 D N 2.517 122.275 120.400 -1.071 0.000 2.927 282 D HA 0.241 4.881 4.640 -0.000 0.000 0.219 282 D C 0.496 176.256 176.300 -0.900 0.000 1.248 282 D CA -0.284 53.275 54.000 -0.736 0.000 0.861 282 D CB 2.281 42.879 40.800 -0.335 0.000 1.677 282 D HN 0.611 nan 8.370 nan 0.000 0.511 283 G N 1.099 109.592 108.800 -0.511 0.000 2.551 283 G HA2 0.442 4.402 3.960 -0.000 0.000 0.216 283 G HA3 0.442 4.402 3.960 -0.000 0.000 0.216 283 G C 0.730 175.518 174.900 -0.188 0.000 1.137 283 G CA 0.703 45.616 45.100 -0.312 0.000 0.798 283 G HN 0.777 nan 8.290 nan 0.000 0.536 284 G N -2.736 105.968 108.800 -0.160 0.000 2.352 284 G HA2 0.582 4.542 3.960 -0.000 0.000 0.302 284 G HA3 0.582 4.542 3.960 -0.000 0.000 0.302 284 G C -0.152 174.707 174.900 -0.069 0.000 1.370 284 G CA 0.261 45.302 45.100 -0.097 0.000 0.918 284 G HN 1.793 nan 8.290 nan 0.000 0.610 285 G N -0.665 108.107 108.800 -0.047 0.000 2.434 285 G HA2 0.320 4.280 3.960 -0.000 0.000 0.671 285 G HA3 0.320 4.280 3.960 -0.000 0.000 0.671 285 G C -0.673 174.210 174.900 -0.028 0.000 1.280 285 G CA 0.178 45.257 45.100 -0.036 0.000 0.975 285 G HN 1.579 nan 8.290 nan 0.000 0.510 286 N N 1.363 120.049 118.700 -0.023 0.000 2.485 286 N HA 0.358 5.098 4.740 -0.000 0.000 0.243 286 N C -1.114 174.387 175.510 -0.016 0.000 0.987 286 N CA -0.335 52.707 53.050 -0.013 0.000 0.940 286 N CB 0.573 39.056 38.487 -0.006 0.000 1.122 286 N HN 0.511 nan 8.380 nan 0.000 0.509 287 D N 1.974 122.371 120.400 -0.005 0.000 2.272 287 D HA 0.405 5.045 4.640 -0.000 0.000 0.247 287 D C -0.319 175.991 176.300 0.017 0.000 0.990 287 D CA -0.055 53.952 54.000 0.011 0.000 0.931 287 D CB 2.053 42.881 40.800 0.048 0.000 1.195 287 D HN 0.345 nan 8.370 nan 0.000 0.477 288 T N 0.608 115.174 114.554 0.021 0.000 2.893 288 T HA 0.417 4.766 4.350 -0.000 0.000 0.293 288 T C -0.058 174.634 174.700 -0.013 0.000 1.027 288 T CA -0.665 61.432 62.100 -0.006 0.000 0.988 288 T CB 1.244 70.087 68.868 -0.042 0.000 1.043 288 T HN 0.114 nan 8.240 nan 0.000 0.461 289 L N 2.926 124.089 121.223 -0.100 0.000 2.283 289 L HA 0.385 4.725 4.340 -0.000 0.000 0.281 289 L C -0.244 176.323 176.870 -0.504 0.000 1.033 289 L CA -0.754 53.894 54.840 -0.321 0.000 0.848 289 L CB 0.805 42.695 42.059 -0.283 0.000 1.226 289 L HN 0.611 nan 8.230 nan 0.000 0.429 290 D N 3.468 123.615 120.400 -0.421 0.000 2.396 290 D HA 0.180 4.820 4.640 -0.000 0.000 0.225 290 D C -0.310 175.915 176.300 -0.125 0.000 1.121 290 D CA -0.211 53.659 54.000 -0.216 0.000 0.853 290 D CB 0.784 41.555 40.800 -0.048 0.000 1.043 290 D HN 0.183 nan 8.370 nan 0.000 0.500 291 F N 1.594 121.695 119.950 0.252 0.000 2.855 291 F HA 0.081 4.608 4.527 -0.000 0.000 0.317 291 F C 2.187 178.005 175.800 0.031 0.000 1.169 291 F CA -0.491 57.716 58.000 0.345 0.000 1.299 291 F CB -0.158 39.077 39.000 0.391 0.000 0.962 291 F HN 0.286 nan 8.300 nan 0.000 0.506 292 S N -0.801 114.871 115.700 -0.047 0.000 2.399 292 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 292 S C 2.336 176.571 174.600 -0.608 0.000 1.022 292 S CA 1.273 59.322 58.200 -0.252 0.000 0.983 292 S CB -0.828 62.245 63.200 -0.212 0.000 0.803 292 S HN 0.401 nan 8.310 nan 0.000 0.480 293 G N 0.307 108.138 108.800 -1.615 0.000 2.509 293 G HA2 0.145 4.105 3.960 -0.000 0.000 0.218 293 G HA3 0.145 4.105 3.960 -0.000 0.000 0.218 293 G C 0.146 174.506 174.900 -0.899 0.000 1.124 293 G CA -0.063 43.926 45.100 -1.851 0.000 0.776 293 G HN 0.435 nan 8.290 nan 0.000 0.547 294 F N 0.625 120.384 119.950 -0.319 0.000 2.382 294 F HA 0.369 4.896 4.527 -0.000 0.000 0.331 294 F C 1.571 177.335 175.800 -0.060 0.000 1.121 294 F CA -0.758 57.223 58.000 -0.033 0.000 1.183 294 F CB 1.904 40.953 39.000 0.081 0.000 1.207 294 F HN 0.015 nan 8.300 nan 0.000 0.555 295 S N -0.503 115.316 115.700 0.199 0.000 2.523 295 S HA 0.189 4.659 4.470 -0.000 0.000 0.217 295 S C 0.247 174.875 174.600 0.047 0.000 0.996 295 S CA -0.433 57.814 58.200 0.078 0.000 0.921 295 S CB -0.210 63.019 63.200 0.048 0.000 0.829 295 S HN 0.607 nan 8.310 nan 0.000 0.495 296 Q N 2.531 122.358 119.800 0.044 0.000 2.368 296 Q HA 0.402 4.742 4.340 -0.000 0.000 0.237 296 Q C -0.518 175.454 176.000 -0.047 0.000 0.987 296 Q CA -0.282 55.503 55.803 -0.030 0.000 0.896 296 Q CB 0.218 28.899 28.738 -0.095 0.000 1.241 296 Q HN 0.208 nan 8.270 nan 0.000 0.485 297 N N 2.489 121.145 118.700 -0.072 0.000 2.427 297 N HA -0.014 4.726 4.740 -0.000 0.000 0.269 297 N C -0.695 174.738 175.510 -0.130 0.000 1.235 297 N CA 0.255 53.252 53.050 -0.089 0.000 0.934 297 N CB 0.395 38.822 38.487 -0.100 0.000 1.121 297 N HN 0.424 nan 8.380 nan 0.000 0.480 298 Q N 1.584 121.315 119.800 -0.115 0.000 2.240 298 Q HA 0.524 4.864 4.340 -0.000 0.000 0.260 298 Q C -0.456 175.419 176.000 -0.208 0.000 1.018 298 Q CA -0.750 54.961 55.803 -0.155 0.000 0.898 298 Q CB 2.019 30.705 28.738 -0.086 0.000 1.301 298 Q HN 0.258 nan 8.270 nan 0.000 0.469 299 K N 1.570 121.802 120.400 -0.280 0.000 2.690 299 K HA 0.459 4.779 4.320 -0.000 0.000 0.243 299 K C -1.226 175.299 176.600 -0.126 0.000 0.982 299 K CA -0.130 55.864 56.287 -0.487 0.000 0.955 299 K CB 1.157 32.857 32.500 -1.332 0.000 1.185 299 K HN 0.462 nan 8.250 nan 0.000 0.467 300 I N 1.775 122.400 120.570 0.091 0.000 2.412 300 I HA 0.294 4.464 4.170 -0.000 0.000 0.296 300 I C -0.232 176.095 176.117 0.350 0.000 0.987 300 I CA -0.881 60.581 61.300 0.271 0.000 1.180 300 I CB 1.374 39.557 38.000 0.306 0.000 1.340 300 I HN 0.441 nan 8.210 nan 0.000 0.455 301 N N 6.374 125.280 118.700 0.343 0.000 2.399 301 N HA 0.365 5.105 4.740 -0.000 0.000 0.284 301 N C -0.377 175.231 175.510 0.163 0.000 1.025 301 N CA -0.472 52.727 53.050 0.249 0.000 0.885 301 N CB 1.863 40.462 38.487 0.187 0.000 1.339 301 N HN 0.602 nan 8.380 nan 0.000 0.487 302 L N 1.817 123.123 121.223 0.138 0.000 2.653 302 L HA 0.187 4.527 4.340 -0.000 0.000 0.232 302 L C 0.273 177.184 176.870 0.069 0.000 1.169 302 L CA 0.194 55.094 54.840 0.100 0.000 0.951 302 L CB -0.201 41.919 42.059 0.101 0.000 1.181 302 L HN 0.388 nan 8.230 nan 0.000 0.460 303 T N 1.230 115.819 114.554 0.058 0.000 2.794 303 T HA 0.398 4.748 4.350 -0.000 0.000 0.296 303 T C 0.651 175.362 174.700 0.018 0.000 0.949 303 T CA -0.465 61.657 62.100 0.037 0.000 1.101 303 T CB 1.437 70.316 68.868 0.018 0.000 0.905 303 T HN 0.295 nan 8.240 nan 0.000 0.516 304 A N 2.552 125.384 122.820 0.020 0.000 2.546 304 A HA 0.487 4.807 4.320 -0.000 0.000 0.243 304 A C 1.619 179.206 177.584 0.005 0.000 1.063 304 A CA 0.304 52.348 52.037 0.013 0.000 0.757 304 A CB -0.818 18.199 19.000 0.028 0.000 0.991 304 A HN 1.598 nan 8.150 nan 0.000 0.503 305 G N 1.405 110.190 108.800 -0.025 0.000 2.179 305 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.260 305 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.260 305 G C 0.548 175.386 174.900 -0.104 0.000 0.977 305 G CA 0.996 46.067 45.100 -0.048 0.000 0.641 305 G HN 2.182 nan 8.290 nan 0.000 0.533 306 S N -0.606 115.035 115.700 -0.098 0.000 2.687 306 S HA 0.849 5.319 4.470 -0.000 0.000 0.283 306 S C -0.189 174.293 174.600 -0.196 0.000 1.170 306 S CA -0.832 57.332 58.200 -0.060 0.000 1.008 306 S CB 1.810 65.008 63.200 -0.002 0.000 1.026 306 S HN 0.383 nan 8.310 nan 0.000 0.541 307 F N 0.437 120.331 119.950 -0.094 0.000 2.483 307 F HA 0.665 5.192 4.527 -0.000 0.000 0.329 307 F C 0.784 176.561 175.800 -0.038 0.000 1.064 307 F CA -0.406 57.468 58.000 -0.210 0.000 0.986 307 F CB 2.246 40.833 39.000 -0.689 0.000 1.218 307 F HN 0.622 nan 8.300 nan 0.000 0.484 308 S N -0.118 115.721 115.700 0.232 0.000 2.599 308 S HA 0.436 4.906 4.470 -0.000 0.000 0.287 308 S C -1.855 172.840 174.600 0.159 0.000 1.105 308 S CA -0.953 57.440 58.200 0.321 0.000 0.899 308 S CB 1.784 65.101 63.200 0.195 0.000 1.100 308 S HN 0.346 nan 8.310 nan 0.000 0.482 309 D N 1.876 122.345 120.400 0.115 0.000 2.454 309 D HA 0.507 5.147 4.640 -0.000 0.000 0.225 309 D C -0.785 175.376 176.300 -0.232 0.000 1.081 309 D CA -0.067 53.902 54.000 -0.051 0.000 0.864 309 D CB 1.129 41.888 40.800 -0.067 0.000 1.040 309 D HN 0.122 nan 8.370 nan 0.000 0.517 310 V N 0.652 120.348 119.914 -0.365 0.000 2.715 310 V HA 0.649 4.769 4.120 -0.000 0.000 0.310 310 V C 1.167 176.834 176.094 -0.712 0.000 1.054 310 V CA -0.893 61.052 62.300 -0.592 0.000 0.928 310 V CB 1.790 33.063 31.823 -0.916 0.000 1.007 310 V HN 0.774 nan 8.190 nan 0.000 0.437 311 G N 2.762 110.962 108.800 -0.999 0.000 2.395 311 G HA2 0.084 4.044 3.960 -0.000 0.000 0.300 311 G HA3 0.084 4.044 3.960 -0.000 0.000 0.300 311 G C 1.185 175.666 174.900 -0.697 0.000 0.998 311 G CA 0.870 45.053 45.100 -1.527 0.000 1.046 311 G HN 2.368 nan 8.290 nan 0.000 0.513 312 G N -2.096 106.461 108.800 -0.404 0.000 2.179 312 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 312 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 312 G C 0.397 175.187 174.900 -0.184 0.000 0.977 312 G CA 1.257 46.216 45.100 -0.234 0.000 0.641 312 G HN 1.083 nan 8.290 nan 0.000 0.533 313 M N 0.714 120.179 119.600 -0.225 0.000 2.706 313 M HA 0.648 5.128 4.480 -0.000 0.000 0.304 313 M C 0.522 176.776 176.300 -0.077 0.000 1.217 313 M CA -0.148 55.082 55.300 -0.116 0.000 0.922 313 M CB 2.099 34.607 32.600 -0.153 0.000 1.637 313 M HN 0.324 nan 8.290 nan 0.000 0.492 314 T N -2.327 112.260 114.554 0.054 0.000 2.856 314 T HA 0.625 4.975 4.350 -0.000 0.000 0.283 314 T C 0.711 175.520 174.700 0.182 0.000 1.008 314 T CA -0.304 61.858 62.100 0.102 0.000 0.997 314 T CB 1.485 70.424 68.868 0.117 0.000 0.992 314 T HN 1.075 nan 8.240 nan 0.000 0.454 315 G N 2.780 111.649 108.800 0.116 0.000 2.321 315 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.287 315 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.287 315 G C 0.773 175.689 174.900 0.028 0.000 1.018 315 G CA 0.496 45.505 45.100 -0.152 0.000 0.855 315 G HN 1.085 nan 8.290 nan 0.000 0.507 316 N N -1.317 117.357 118.700 -0.044 0.000 2.356 316 N HA 0.106 4.846 4.740 -0.000 0.000 0.178 316 N C 0.362 175.671 175.510 -0.334 0.000 1.075 316 N CA 0.675 53.529 53.050 -0.327 0.000 0.889 316 N CB 0.617 38.746 38.487 -0.597 0.000 0.999 316 N HN 0.357 nan 8.380 nan 0.000 0.464 317 V N 1.325 121.096 119.914 -0.239 0.000 2.540 317 V HA 0.545 4.665 4.120 -0.000 0.000 0.302 317 V C -0.327 175.707 176.094 -0.100 0.000 1.035 317 V CA -0.643 61.466 62.300 -0.319 0.000 0.873 317 V CB 1.716 33.282 31.823 -0.428 0.000 0.992 317 V HN 0.490 nan 8.190 nan 0.000 0.428 318 S N 4.771 120.404 115.700 -0.112 0.000 2.685 318 S HA 0.805 5.275 4.470 -0.000 0.000 0.282 318 S C -1.112 173.437 174.600 -0.086 0.000 1.159 318 S CA -0.865 57.182 58.200 -0.254 0.000 0.833 318 S CB 2.046 64.770 63.200 -0.794 0.000 1.151 318 S HN 0.438 nan 8.310 nan 0.000 0.485 319 I N 1.400 121.891 120.570 -0.130 0.000 2.406 319 I HA 0.591 4.761 4.170 -0.000 0.000 0.290 319 I C 0.549 176.644 176.117 -0.037 0.000 0.999 319 I CA -0.984 60.287 61.300 -0.049 0.000 1.124 319 I CB 1.726 39.703 38.000 -0.037 0.000 1.289 319 I HN 0.965 nan 8.210 nan 0.000 0.441 320 A N 5.974 128.828 122.820 0.057 0.000 2.466 320 A HA 0.185 4.505 4.320 -0.000 0.000 0.238 320 A C 0.208 177.869 177.584 0.128 0.000 1.074 320 A CA -0.087 52.028 52.037 0.130 0.000 0.774 320 A CB 0.181 19.376 19.000 0.324 0.000 1.015 320 A HN 0.760 nan 8.150 nan 0.000 0.498 321 Q N -0.333 119.542 119.800 0.124 0.000 2.386 321 Q HA 0.326 4.666 4.340 -0.000 0.000 0.282 321 Q C 1.246 177.351 176.000 0.175 0.000 1.050 321 Q CA 1.187 57.059 55.803 0.116 0.000 0.918 321 Q CB 0.329 29.127 28.738 0.100 0.000 1.266 321 Q HN 1.624 nan 8.270 nan 0.000 0.423 322 G N 0.802 109.678 108.800 0.126 0.000 2.168 322 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.257 322 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.257 322 G C -0.156 174.797 174.900 0.088 0.000 0.997 322 G CA 0.223 45.402 45.100 0.132 0.000 0.708 322 G HN 0.407 nan 8.290 nan 0.000 0.520 323 V N -0.049 119.890 119.914 0.041 0.000 2.628 323 V HA 0.782 4.902 4.120 -0.000 0.000 0.306 323 V C 0.198 176.263 176.094 -0.049 0.000 1.045 323 V CA -0.294 61.964 62.300 -0.070 0.000 0.905 323 V CB 2.228 33.986 31.823 -0.107 0.000 0.997 323 V HN 0.251 nan 8.190 nan 0.000 0.436 324 T N 5.556 120.067 114.554 -0.072 0.000 2.833 324 T HA 0.553 4.903 4.350 -0.000 0.000 0.297 324 T C -0.552 174.123 174.700 -0.041 0.000 1.015 324 T CA -0.243 61.836 62.100 -0.035 0.000 0.963 324 T CB 0.544 69.402 68.868 -0.018 0.000 0.955 324 T HN 0.283 nan 8.240 nan 0.000 0.449 325 I N 3.358 123.913 120.570 -0.024 0.000 2.359 325 I HA 0.378 4.548 4.170 -0.000 0.000 0.294 325 I C 0.944 177.070 176.117 0.015 0.000 0.987 325 I CA -0.680 60.610 61.300 -0.016 0.000 1.225 325 I CB 1.643 39.629 38.000 -0.024 0.000 1.366 325 I HN 0.597 nan 8.210 nan 0.000 0.466 326 E N 3.427 123.639 120.200 0.019 0.000 2.190 326 E HA 0.065 4.415 4.350 -0.000 0.000 0.191 326 E C -0.197 176.433 176.600 0.050 0.000 0.978 326 E CA 0.821 57.242 56.400 0.034 0.000 0.839 326 E CB 0.251 29.967 29.700 0.026 0.000 0.787 326 E HN 0.553 nan 8.360 nan 0.000 0.473 327 N N -0.334 118.391 118.700 0.042 0.000 2.312 327 N HA 0.675 5.414 4.740 -0.000 0.000 0.296 327 N C -1.200 174.335 175.510 0.042 0.000 1.193 327 N CA -0.637 52.444 53.050 0.051 0.000 0.773 327 N CB 2.181 40.690 38.487 0.037 0.000 1.435 327 N HN 0.003 nan 8.380 nan 0.000 0.484 328 A N 0.690 123.546 122.820 0.060 0.000 2.517 328 A HA 0.703 5.023 4.320 -0.000 0.000 0.297 328 A C -1.312 176.312 177.584 0.067 0.000 1.050 328 A CA -0.593 51.477 52.037 0.056 0.000 0.694 328 A CB 0.962 20.035 19.000 0.122 0.000 1.277 328 A HN 0.577 nan 8.150 nan 0.000 0.400 329 I N 2.336 122.930 120.570 0.039 0.000 2.418 329 I HA 0.515 4.685 4.170 -0.000 0.000 0.287 329 I C 0.965 177.156 176.117 0.123 0.000 1.008 329 I CA -0.587 60.743 61.300 0.051 0.000 1.104 329 I CB 2.080 40.073 38.000 -0.013 0.000 1.264 329 I HN 0.796 nan 8.210 nan 0.000 0.438 330 G N 3.482 112.359 108.800 0.127 0.000 2.553 330 G HA2 0.614 4.574 3.960 -0.000 0.000 0.278 330 G HA3 0.614 4.574 3.960 -0.000 0.000 0.278 330 G C 0.166 175.132 174.900 0.110 0.000 1.349 330 G CA 0.007 45.200 45.100 0.155 0.000 1.037 330 G HN 0.725 nan 8.290 nan 0.000 0.508 331 G N -1.876 106.985 108.800 0.102 0.000 3.135 331 G HA2 0.389 4.349 3.960 -0.000 0.000 0.159 331 G HA3 0.389 4.349 3.960 -0.000 0.000 0.159 331 G C 1.072 175.978 174.900 0.011 0.000 1.244 331 G CA 0.626 45.752 45.100 0.044 0.000 0.965 331 G HN 0.509 nan 8.290 nan 0.000 0.599 332 S N -0.458 115.242 115.700 -0.001 0.000 2.461 332 S HA 0.143 4.613 4.470 -0.000 0.000 0.228 332 S C 1.419 176.015 174.600 -0.006 0.000 1.005 332 S CA 0.675 58.868 58.200 -0.012 0.000 0.942 332 S CB -0.302 62.887 63.200 -0.018 0.000 0.776 332 S HN 0.799 nan 8.310 nan 0.000 0.514 333 G N 1.622 110.424 108.800 0.003 0.000 2.621 333 G HA2 0.227 4.187 3.960 -0.000 0.000 0.271 333 G HA3 0.227 4.187 3.960 -0.000 0.000 0.271 333 G C -0.397 174.490 174.900 -0.022 0.000 1.236 333 G CA -0.687 44.405 45.100 -0.013 0.000 0.958 333 G HN 0.258 nan 8.290 nan 0.000 0.512 334 N N 1.728 120.406 118.700 -0.036 0.000 2.402 334 N HA 0.160 4.900 4.740 -0.000 0.000 0.252 334 N C -0.736 174.740 175.510 -0.057 0.000 1.118 334 N CA 0.101 53.125 53.050 -0.043 0.000 0.945 334 N CB 1.066 39.525 38.487 -0.047 0.000 1.147 334 N HN 0.381 nan 8.380 nan 0.000 0.495 335 D N 1.325 121.698 120.400 -0.045 0.000 2.385 335 D HA 0.458 5.098 4.640 -0.000 0.000 0.254 335 D C 0.326 176.588 176.300 -0.064 0.000 1.053 335 D CA -0.372 53.594 54.000 -0.056 0.000 0.992 335 D CB 1.905 42.701 40.800 -0.006 0.000 1.145 335 D HN 0.174 nan 8.370 nan 0.000 0.523 336 L N 1.100 122.267 121.223 -0.093 0.000 2.333 336 L HA 0.411 4.751 4.340 -0.000 0.000 0.280 336 L C -1.086 175.789 176.870 0.008 0.000 1.004 336 L CA -0.862 53.936 54.840 -0.069 0.000 0.820 336 L CB 1.374 43.336 42.059 -0.163 0.000 1.247 336 L HN 0.028 nan 8.230 nan 0.000 0.416 337 L N 4.863 126.132 121.223 0.077 0.000 2.356 337 L HA 0.566 4.906 4.340 -0.000 0.000 0.277 337 L C -0.455 176.523 176.870 0.180 0.000 0.996 337 L CA 0.022 54.946 54.840 0.139 0.000 0.822 337 L CB 1.972 44.117 42.059 0.145 0.000 1.256 337 L HN 0.394 nan 8.230 nan 0.000 0.413 338 I N 2.398 123.092 120.570 0.207 0.000 2.418 338 I HA 0.544 4.714 4.170 -0.000 0.000 0.287 338 I C 0.683 176.927 176.117 0.212 0.000 1.008 338 I CA -0.409 61.026 61.300 0.224 0.000 1.104 338 I CB 1.863 39.966 38.000 0.173 0.000 1.264 338 I HN 0.688 nan 8.210 nan 0.000 0.438 339 G N 4.288 113.233 108.800 0.241 0.000 2.525 339 G HA2 0.414 4.374 3.960 -0.000 0.000 0.287 339 G HA3 0.414 4.374 3.960 -0.000 0.000 0.287 339 G C -0.424 174.578 174.900 0.171 0.000 1.350 339 G CA -0.341 44.868 45.100 0.181 0.000 1.039 339 G HN 0.699 nan 8.290 nan 0.000 0.513 340 N N -2.003 116.775 118.700 0.130 0.000 3.312 340 N HA 0.282 5.022 4.740 -0.000 0.000 0.361 340 N C 0.007 175.581 175.510 0.107 0.000 1.476 340 N CA -0.589 52.529 53.050 0.113 0.000 0.669 340 N CB 0.441 38.977 38.487 0.081 0.000 1.629 340 N HN 0.183 nan 8.380 nan 0.000 0.612 341 D N -0.897 119.555 120.400 0.087 0.000 2.349 341 D HA 0.280 4.920 4.640 -0.000 0.000 0.215 341 D C 0.109 176.448 176.300 0.064 0.000 1.016 341 D CA 0.197 54.244 54.000 0.079 0.000 0.870 341 D CB -0.158 40.684 40.800 0.071 0.000 0.917 341 D HN 0.617 nan 8.370 nan 0.000 0.524 342 A N 0.364 123.220 122.820 0.059 0.000 2.257 342 A HA 0.669 4.989 4.320 -0.000 0.000 0.289 342 A C 0.178 177.794 177.584 0.052 0.000 1.095 342 A CA -0.340 51.726 52.037 0.048 0.000 0.836 342 A CB 0.538 19.562 19.000 0.040 0.000 1.111 342 A HN 0.106 nan 8.150 nan 0.000 0.497 343 A N 1.114 123.961 122.820 0.045 0.000 2.444 343 A HA 0.431 4.751 4.320 -0.000 0.000 0.273 343 A C 0.075 177.693 177.584 0.057 0.000 1.136 343 A CA -0.145 51.921 52.037 0.048 0.000 0.799 343 A CB -0.777 18.246 19.000 0.039 0.000 1.081 343 A HN 0.815 nan 8.150 nan 0.000 0.509 344 N N 0.753 119.494 118.700 0.070 0.000 2.370 344 N HA 0.540 5.280 4.740 -0.000 0.000 0.303 344 N C -1.229 174.344 175.510 0.105 0.000 1.103 344 N CA -0.718 52.382 53.050 0.084 0.000 0.848 344 N CB 2.269 40.814 38.487 0.095 0.000 1.235 344 N HN 0.325 nan 8.380 nan 0.000 0.496 345 V N 2.865 122.850 119.914 0.118 0.000 2.357 345 V HA 0.384 4.504 4.120 -0.000 0.000 0.284 345 V C -0.498 175.702 176.094 0.176 0.000 1.018 345 V CA -0.565 61.838 62.300 0.171 0.000 0.841 345 V CB 0.718 32.640 31.823 0.165 0.000 0.991 345 V HN 0.473 nan 8.190 nan 0.000 0.437 346 L N 5.768 127.129 121.223 0.230 0.000 2.343 346 L HA 0.586 4.926 4.340 -0.000 0.000 0.278 346 L C -0.201 176.837 176.870 0.279 0.000 0.996 346 L CA -0.509 54.460 54.840 0.216 0.000 0.831 346 L CB 1.734 43.916 42.059 0.205 0.000 1.232 346 L HN 0.503 nan 8.230 nan 0.000 0.413 347 K N 1.631 122.152 120.400 0.201 0.000 2.307 347 K HA 0.385 4.705 4.320 -0.000 0.000 0.263 347 K C 0.850 177.543 176.600 0.154 0.000 0.973 347 K CA -0.394 56.012 56.287 0.197 0.000 0.846 347 K CB 2.268 34.787 32.500 0.032 0.000 1.100 347 K HN 0.716 nan 8.250 nan 0.000 0.438 348 G N 2.029 110.939 108.800 0.184 0.000 2.404 348 G HA2 0.166 4.126 3.960 -0.000 0.000 0.215 348 G HA3 0.166 4.126 3.960 -0.000 0.000 0.215 348 G C 0.671 175.615 174.900 0.074 0.000 1.174 348 G CA 0.785 45.956 45.100 0.119 0.000 0.780 348 G HN 0.941 nan 8.290 nan 0.000 0.537 349 G N -1.030 107.809 108.800 0.065 0.000 2.548 349 G HA2 0.385 4.345 3.960 -0.000 0.000 0.208 349 G HA3 0.385 4.345 3.960 -0.000 0.000 0.208 349 G C 0.225 175.134 174.900 0.014 0.000 1.308 349 G CA 0.010 45.123 45.100 0.021 0.000 0.924 349 G HN 1.415 nan 8.290 nan 0.000 0.540 350 A N -0.777 122.038 122.820 -0.009 0.000 2.280 350 A HA 1.016 5.336 4.320 -0.000 0.000 0.268 350 A C 1.724 179.298 177.584 -0.017 0.000 1.111 350 A CA 1.828 53.854 52.037 -0.017 0.000 0.814 350 A CB 0.040 19.023 19.000 -0.029 0.000 1.093 350 A HN 3.039 nan 8.150 nan 0.000 0.498 351 G N -0.326 108.457 108.800 -0.028 0.000 2.756 351 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.678 351 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.678 351 G C -0.736 174.145 174.900 -0.032 0.000 1.349 351 G CA -0.285 44.797 45.100 -0.029 0.000 0.847 351 G HN 1.022 nan 8.290 nan 0.000 0.548 352 N N 2.080 120.759 118.700 -0.035 0.000 2.521 352 N HA 0.360 5.100 4.740 -0.000 0.000 0.236 352 N C -0.713 174.768 175.510 -0.049 0.000 1.067 352 N CA -0.198 52.829 53.050 -0.040 0.000 0.939 352 N CB 0.887 39.356 38.487 -0.030 0.000 1.201 352 N HN 0.504 nan 8.380 nan 0.000 0.511 353 D N 1.415 121.776 120.400 -0.064 0.000 2.193 353 D HA 0.401 5.041 4.640 -0.000 0.000 0.249 353 D C 0.473 176.700 176.300 -0.121 0.000 1.034 353 D CA -0.217 53.740 54.000 -0.072 0.000 0.902 353 D CB 2.026 42.801 40.800 -0.041 0.000 1.182 353 D HN 0.286 nan 8.370 nan 0.000 0.436 354 I N 2.107 122.628 120.570 -0.081 0.000 2.355 354 I HA 0.338 4.508 4.170 -0.000 0.000 0.288 354 I C -0.254 175.850 176.117 -0.022 0.000 0.999 354 I CA -0.584 60.674 61.300 -0.069 0.000 1.163 354 I CB 1.081 39.066 38.000 -0.024 0.000 1.316 354 I HN 0.062 nan 8.210 nan 0.000 0.454 355 I N 6.507 127.057 120.570 -0.035 0.000 2.433 355 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 355 I C -1.065 175.130 176.117 0.131 0.000 1.001 355 I CA -0.673 60.674 61.300 0.078 0.000 1.119 355 I CB 1.772 39.849 38.000 0.128 0.000 1.289 355 I HN 0.436 nan 8.210 nan 0.000 0.438 356 Y N 5.081 125.393 120.300 0.019 0.000 2.555 356 Y HA 0.440 4.990 4.550 -0.000 0.000 0.326 356 Y C 1.035 176.939 175.900 0.007 0.000 0.984 356 Y CA -0.610 57.480 58.100 -0.017 0.000 1.298 356 Y CB 1.607 40.085 38.460 0.029 0.000 1.094 356 Y HN 0.694 nan 8.280 nan 0.000 0.500 357 G N 2.935 111.615 108.800 -0.201 0.000 2.432 357 G HA2 0.209 4.169 3.960 -0.000 0.000 0.219 357 G HA3 0.209 4.169 3.960 -0.000 0.000 0.219 357 G C 0.924 175.798 174.900 -0.044 0.000 1.135 357 G CA 0.798 45.849 45.100 -0.081 0.000 0.767 357 G HN 1.353 nan 8.290 nan 0.000 0.550 358 G N -1.268 107.383 108.800 -0.248 0.000 2.499 358 G HA2 0.309 4.269 3.960 -0.000 0.000 0.232 358 G HA3 0.309 4.269 3.960 -0.000 0.000 0.232 358 G C 0.432 175.352 174.900 0.033 0.000 1.251 358 G CA 0.018 45.129 45.100 0.018 0.000 0.917 358 G HN 1.308 nan 8.290 nan 0.000 0.580 359 G N -0.821 108.036 108.800 0.096 0.000 2.412 359 G HA2 0.840 4.800 3.960 -0.000 0.000 0.318 359 G HA3 0.840 4.800 3.960 -0.000 0.000 0.318 359 G C 0.673 175.615 174.900 0.071 0.000 1.146 359 G CA 1.255 46.408 45.100 0.088 0.000 0.882 359 G HN 2.605 nan 8.290 nan 0.000 0.501 360 G N -1.022 107.816 108.800 0.062 0.000 2.619 360 G HA2 0.433 4.393 3.960 -0.000 0.000 0.686 360 G HA3 0.433 4.393 3.960 -0.000 0.000 0.686 360 G C -0.018 174.907 174.900 0.042 0.000 1.256 360 G CA -0.119 45.010 45.100 0.048 0.000 0.826 360 G HN 1.949 nan 8.290 nan 0.000 0.619 361 A N 1.169 124.006 122.820 0.029 0.000 2.395 361 A HA 0.575 4.895 4.320 -0.000 0.000 0.286 361 A C 0.145 177.747 177.584 0.029 0.000 1.193 361 A CA 0.078 52.126 52.037 0.018 0.000 0.852 361 A CB 0.103 19.104 19.000 0.003 0.000 1.118 361 A HN 0.585 nan 8.150 nan 0.000 0.524 362 D N 1.546 121.967 120.400 0.036 0.000 2.198 362 D HA 0.433 5.073 4.640 -0.000 0.000 0.247 362 D C -0.577 175.742 176.300 0.032 0.000 1.010 362 D CA -0.171 53.858 54.000 0.048 0.000 0.880 362 D CB 2.082 42.918 40.800 0.060 0.000 1.209 362 D HN 0.190 nan 8.370 nan 0.000 0.451 363 V N 2.694 122.640 119.914 0.054 0.000 2.350 363 V HA 0.340 4.460 4.120 -0.000 0.000 0.276 363 V C 0.069 176.204 176.094 0.069 0.000 1.028 363 V CA -0.572 61.741 62.300 0.022 0.000 0.860 363 V CB 0.912 32.791 31.823 0.093 0.000 0.990 363 V HN 0.266 nan 8.190 nan 0.000 0.453 364 L N 4.600 125.795 121.223 -0.047 0.000 2.341 364 L HA 0.610 4.950 4.340 -0.000 0.000 0.278 364 L C -1.279 175.586 176.870 -0.007 0.000 1.005 364 L CA -0.387 54.504 54.840 0.085 0.000 0.818 364 L CB 2.057 44.184 42.059 0.113 0.000 1.259 364 L HN 0.561 nan 8.230 nan 0.000 0.418 365 W N 1.313 122.720 121.300 0.178 0.000 2.538 365 W HA 0.527 5.187 4.660 -0.000 0.000 0.322 365 W C 0.912 177.597 176.519 0.276 0.000 1.028 365 W CA -0.577 56.874 57.345 0.176 0.000 1.228 365 W CB 1.915 31.441 29.460 0.109 0.000 1.356 365 W HN 0.616 nan 8.180 nan 0.000 0.452 366 G N 1.541 110.688 108.800 0.579 0.000 2.494 366 G HA2 0.377 4.337 3.960 -0.000 0.000 0.216 366 G HA3 0.377 4.337 3.960 -0.000 0.000 0.216 366 G C 0.886 175.945 174.900 0.266 0.000 1.140 366 G CA 0.610 45.985 45.100 0.459 0.000 0.801 366 G HN 1.012 nan 8.290 nan 0.000 0.536 367 G N -0.506 108.462 108.800 0.281 0.000 2.645 367 G HA2 0.014 3.974 3.960 -0.000 0.000 0.239 367 G HA3 0.014 3.974 3.960 -0.000 0.000 0.239 367 G C 0.406 175.364 174.900 0.096 0.000 1.331 367 G CA 0.562 45.762 45.100 0.165 0.000 0.890 367 G HN 1.271 nan 8.290 nan 0.000 0.572 368 T N -1.348 113.227 114.554 0.035 0.000 2.788 368 T HA 0.732 5.082 4.350 -0.000 0.000 0.280 368 T C 1.363 176.040 174.700 -0.039 0.000 0.984 368 T CA 1.043 63.132 62.100 -0.018 0.000 0.972 368 T CB 1.169 70.013 68.868 -0.039 0.000 1.039 368 T HN 2.886 nan 8.240 nan 0.000 0.530 369 G N 0.045 108.787 108.800 -0.096 0.000 2.756 369 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.678 369 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.678 369 G C -0.343 174.507 174.900 -0.083 0.000 1.349 369 G CA -0.411 44.633 45.100 -0.094 0.000 0.847 369 G HN 1.064 nan 8.290 nan 0.000 0.548 370 S N 1.821 117.491 115.700 -0.050 0.000 2.409 370 S HA 0.477 4.947 4.470 -0.000 0.000 0.308 370 S C -0.151 174.432 174.600 -0.028 0.000 1.080 370 S CA -0.544 57.659 58.200 0.006 0.000 1.081 370 S CB 0.551 63.789 63.200 0.065 0.000 1.009 370 S HN 0.513 nan 8.310 nan 0.000 0.502 371 D N 2.097 122.459 120.400 -0.064 0.000 2.217 371 D HA 0.392 5.032 4.640 -0.000 0.000 0.248 371 D C -0.408 175.696 176.300 -0.328 0.000 1.008 371 D CA -0.205 53.666 54.000 -0.214 0.000 0.914 371 D CB 1.830 42.472 40.800 -0.262 0.000 1.182 371 D HN 0.256 nan 8.370 nan 0.000 0.451 372 T N 1.358 115.649 114.554 -0.439 0.000 2.809 372 T HA 0.367 4.717 4.350 -0.000 0.000 0.284 372 T C -0.508 173.916 174.700 -0.460 0.000 0.992 372 T CA -0.531 61.401 62.100 -0.280 0.000 0.957 372 T CB 0.271 69.107 68.868 -0.054 0.000 0.942 372 T HN 0.081 nan 8.240 nan 0.000 0.439 373 F N 2.658 122.744 119.950 0.227 0.000 2.334 373 F HA 0.470 4.997 4.527 -0.000 0.000 0.367 373 F C 0.316 176.184 175.800 0.112 0.000 1.115 373 F CA -1.004 57.088 58.000 0.152 0.000 1.116 373 F CB 0.655 39.812 39.000 0.262 0.000 1.230 373 F HN 0.187 nan 8.300 nan 0.000 0.484 374 V N 4.167 124.123 119.914 0.069 0.000 2.567 374 V HA 0.374 4.494 4.120 -0.000 0.000 0.289 374 V C -0.423 175.503 176.094 -0.280 0.000 1.049 374 V CA -0.749 61.634 62.300 0.138 0.000 0.969 374 V CB 1.317 33.350 31.823 0.350 0.000 0.995 374 V HN 0.427 nan 8.190 nan 0.000 0.471 375 F N 1.547 121.640 119.950 0.238 0.000 2.518 375 F HA 0.633 5.160 4.527 -0.000 0.000 0.323 375 F C 0.965 176.863 175.800 0.164 0.000 1.129 375 F CA -0.483 57.581 58.000 0.107 0.000 0.920 375 F CB 2.242 41.367 39.000 0.207 0.000 1.160 375 F HN 0.551 nan 8.300 nan 0.000 0.440 376 G N 1.412 110.413 108.800 0.334 0.000 2.939 376 G HA2 0.556 4.516 3.960 -0.000 0.000 0.216 376 G HA3 0.556 4.516 3.960 -0.000 0.000 0.216 376 G C -0.117 174.871 174.900 0.145 0.000 1.125 376 G CA 0.414 45.736 45.100 0.369 0.000 0.766 376 G HN 0.798 nan 8.290 nan 0.000 0.541 377 A N -0.816 122.088 122.820 0.141 0.000 2.572 377 A HA 0.591 4.911 4.320 -0.000 0.000 0.295 377 A C 0.764 178.392 177.584 0.074 0.000 1.072 377 A CA -0.312 51.756 52.037 0.051 0.000 0.691 377 A CB 1.063 20.130 19.000 0.112 0.000 1.291 377 A HN 0.186 nan 8.150 nan 0.000 0.404 378 V N 1.441 121.337 119.914 -0.030 0.000 2.515 378 V HA -0.178 3.942 4.120 -0.000 0.000 0.250 378 V C 2.532 178.791 176.094 0.275 0.000 1.058 378 V CA 2.721 65.093 62.300 0.119 0.000 1.064 378 V CB -0.587 31.254 31.823 0.030 0.000 0.675 378 V HN 1.141 nan 8.190 nan 0.000 0.461 379 S N -0.713 115.085 115.700 0.162 0.000 2.603 379 S HA -0.131 4.339 4.470 -0.000 0.000 0.229 379 S C 1.306 176.003 174.600 0.161 0.000 0.972 379 S CA 0.984 59.269 58.200 0.142 0.000 0.935 379 S CB -0.365 62.896 63.200 0.101 0.000 0.769 379 S HN 0.546 nan 8.310 nan 0.000 0.536 380 D N 1.413 121.953 120.400 0.234 0.000 2.162 380 D HA 0.140 4.780 4.640 -0.000 0.000 0.203 380 D C 0.304 176.732 176.300 0.214 0.000 0.967 380 D CA 0.912 55.051 54.000 0.232 0.000 0.840 380 D CB 0.072 41.063 40.800 0.319 0.000 0.972 380 D HN 0.390 nan 8.370 nan 0.000 0.482 381 S N -0.274 115.532 115.700 0.177 0.000 2.461 381 S HA 0.299 4.769 4.470 -0.000 0.000 0.216 381 S C -0.473 173.957 174.600 -0.282 0.000 1.201 381 S CA -0.665 57.457 58.200 -0.130 0.000 1.171 381 S CB 0.304 63.277 63.200 -0.379 0.000 1.169 381 S HN 0.196 nan 8.310 nan 0.000 0.456 382 T N 1.831 116.325 114.554 -0.099 0.000 2.936 382 T HA 0.592 4.942 4.350 -0.000 0.000 0.282 382 T C -2.159 172.484 174.700 -0.095 0.000 1.003 382 T CA -1.916 60.150 62.100 -0.057 0.000 1.005 382 T CB 1.047 69.926 68.868 0.018 0.000 1.097 382 T HN 0.137 nan 8.240 nan 0.000 0.532 383 P HA -0.055 nan 4.420 nan 0.000 0.216 383 P C 1.639 178.914 177.300 -0.042 0.000 1.150 383 P CA 0.820 63.886 63.100 -0.056 0.000 0.837 383 P CB -0.010 31.675 31.700 -0.024 0.000 0.786 384 K N -0.628 119.757 120.400 -0.025 0.000 2.025 384 K HA 0.115 4.435 4.320 -0.000 0.000 0.207 384 K C 1.584 178.173 176.600 -0.019 0.000 1.049 384 K CA 1.379 57.657 56.287 -0.015 0.000 0.933 384 K CB -1.224 31.275 32.500 -0.003 0.000 0.714 384 K HN 0.180 nan 8.250 nan 0.000 0.438 385 A N 0.436 123.244 122.820 -0.021 0.000 2.938 385 A HA 0.722 5.042 4.320 -0.000 0.000 0.344 385 A C -0.089 177.471 177.584 -0.040 0.000 1.142 385 A CA -0.394 51.632 52.037 -0.018 0.000 0.841 385 A CB 0.328 19.330 19.000 0.003 0.000 1.083 385 A HN 0.384 nan 8.150 nan 0.000 0.479 386 A N 1.436 124.216 122.820 -0.066 0.000 2.327 386 A HA 0.594 4.914 4.320 -0.000 0.000 0.283 386 A C -0.156 177.378 177.584 -0.083 0.000 1.127 386 A CA -0.446 51.523 52.037 -0.113 0.000 0.810 386 A CB 0.239 19.152 19.000 -0.145 0.000 1.066 386 A HN 0.598 nan 8.150 nan 0.000 0.492 387 D N -0.123 120.230 120.400 -0.078 0.000 2.360 387 D HA 0.414 5.054 4.640 -0.000 0.000 0.242 387 D C -0.596 175.658 176.300 -0.076 0.000 1.184 387 D CA 0.644 54.633 54.000 -0.017 0.000 0.930 387 D CB 1.114 41.990 40.800 0.127 0.000 1.161 387 D HN 0.390 nan 8.370 nan 0.000 0.447 388 I N 0.568 121.086 120.570 -0.086 0.000 2.548 388 I HA 0.301 4.471 4.170 -0.000 0.000 0.287 388 I C -1.370 174.609 176.117 -0.230 0.000 1.103 388 I CA -0.367 60.842 61.300 -0.153 0.000 1.049 388 I CB 1.160 39.076 38.000 -0.141 0.000 1.232 388 I HN 0.262 nan 8.210 nan 0.000 0.429 389 I N 8.841 129.238 120.570 -0.289 0.000 2.276 389 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 389 I C 0.997 176.875 176.117 -0.398 0.000 1.109 389 I CA -0.698 60.355 61.300 -0.412 0.000 1.229 389 I CB 0.591 38.276 38.000 -0.524 0.000 1.452 389 I HN 0.519 nan 8.210 nan 0.000 0.497 390 K N 3.317 123.331 120.400 -0.644 0.000 2.360 390 K HA -0.153 4.167 4.320 -0.000 0.000 0.201 390 K C 0.459 176.752 176.600 -0.512 0.000 1.046 390 K CA 1.026 56.815 56.287 -0.830 0.000 0.940 390 K CB -0.199 31.104 32.500 -1.995 0.000 0.748 390 K HN 0.723 nan 8.250 nan 0.000 0.465 391 D N -1.945 118.303 120.400 -0.254 0.000 2.865 391 D HA -0.013 4.627 4.640 -0.000 0.000 0.347 391 D C -0.331 176.027 176.300 0.095 0.000 1.498 391 D CA -0.717 53.289 54.000 0.010 0.000 0.787 391 D CB -1.096 39.816 40.800 0.186 0.000 1.190 391 D HN -0.141 nan 8.370 nan 0.000 0.445 392 F N 2.123 122.036 119.950 -0.061 0.000 2.612 392 F HA 0.142 4.669 4.527 -0.000 0.000 0.389 392 F C 0.366 176.214 175.800 0.080 0.000 1.055 392 F CA 0.696 58.703 58.000 0.013 0.000 1.232 392 F CB 0.673 39.631 39.000 -0.070 0.000 1.044 392 F HN -0.046 nan 8.300 nan 0.000 0.560 393 Q N 5.451 124.981 119.800 -0.451 0.000 2.462 393 Q HA 0.127 4.467 4.340 -0.000 0.000 0.247 393 Q C -0.013 175.832 176.000 -0.259 0.000 1.044 393 Q CA -0.394 55.313 55.803 -0.161 0.000 0.803 393 Q CB 1.404 30.159 28.738 0.028 0.000 1.190 393 Q HN 0.702 nan 8.270 nan 0.000 0.507 394 S N 0.715 116.393 115.700 -0.037 0.000 2.558 394 S HA 0.250 4.720 4.470 -0.000 0.000 0.288 394 S C 1.314 175.905 174.600 -0.016 0.000 1.318 394 S CA 1.463 59.708 58.200 0.074 0.000 1.056 394 S CB 0.200 63.465 63.200 0.108 0.000 0.853 394 S HN 0.947 nan 8.310 nan 0.000 0.505 395 G N 3.094 111.914 108.800 0.033 0.000 2.205 395 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.261 395 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.261 395 G C 0.372 174.955 174.900 -0.528 0.000 0.980 395 G CA 0.672 45.642 45.100 -0.216 0.000 0.632 395 G HN 0.693 nan 8.290 nan 0.000 0.533 396 F N 0.604 120.548 119.950 -0.010 0.000 2.496 396 F HA 0.339 4.866 4.527 -0.000 0.000 0.274 396 F C 1.003 176.761 175.800 -0.070 0.000 0.924 396 F CA -0.076 57.900 58.000 -0.041 0.000 1.147 396 F CB 0.093 39.057 39.000 -0.061 0.000 0.969 396 F HN -0.053 nan 8.300 nan 0.000 0.749 397 D N 1.605 121.988 120.400 -0.029 0.000 2.312 397 D HA 0.370 5.010 4.640 -0.000 0.000 0.248 397 D C -0.304 176.078 176.300 0.136 0.000 1.086 397 D CA 0.061 54.008 54.000 -0.088 0.000 0.948 397 D CB 1.224 41.789 40.800 -0.392 0.000 1.162 397 D HN 0.070 nan 8.370 nan 0.000 0.446 398 K N 0.688 121.289 120.400 0.335 0.000 2.435 398 K HA 0.577 4.897 4.320 -0.000 0.000 0.251 398 K C -0.572 176.380 176.600 0.587 0.000 0.954 398 K CA -0.805 55.749 56.287 0.445 0.000 0.820 398 K CB 2.295 34.958 32.500 0.273 0.000 1.292 398 K HN 0.261 nan 8.250 nan 0.000 0.436 399 I N 1.937 122.818 120.570 0.518 0.000 2.405 399 I HA 0.075 4.245 4.170 -0.000 0.000 0.280 399 I C -0.560 175.809 176.117 0.421 0.000 1.027 399 I CA -0.566 61.049 61.300 0.525 0.000 1.161 399 I CB 1.108 39.325 38.000 0.362 0.000 1.300 399 I HN 0.490 nan 8.210 nan 0.000 0.463 400 D N 7.397 128.056 120.400 0.432 0.000 2.316 400 D HA 0.230 4.870 4.640 -0.000 0.000 0.245 400 D C 0.296 176.812 176.300 0.361 0.000 1.171 400 D CA 0.077 54.280 54.000 0.339 0.000 0.856 400 D CB 1.397 42.373 40.800 0.293 0.000 1.090 400 D HN 0.481 nan 8.370 nan 0.000 0.476 401 L N 3.135 124.501 121.223 0.237 0.000 2.906 401 L HA 0.021 4.361 4.340 -0.000 0.000 0.255 401 L C 2.303 179.189 176.870 0.027 0.000 1.166 401 L CA -0.001 54.923 54.840 0.141 0.000 0.977 401 L CB 0.276 42.392 42.059 0.095 0.000 1.313 401 L HN 0.436 nan 8.230 nan 0.000 0.549 402 T N -1.985 112.597 114.554 0.046 0.000 2.822 402 T HA -0.248 4.102 4.350 -0.000 0.000 0.270 402 T C 1.845 176.448 174.700 -0.161 0.000 1.064 402 T CA 1.385 63.473 62.100 -0.019 0.000 1.131 402 T CB -0.142 68.748 68.868 0.036 0.000 0.858 402 T HN 0.316 nan 8.240 nan 0.000 0.483 403 A N 0.747 123.379 122.820 -0.314 0.000 2.067 403 A HA 0.248 4.568 4.320 -0.000 0.000 0.219 403 A C 2.271 179.632 177.584 -0.371 0.000 1.158 403 A CA 0.996 52.668 52.037 -0.608 0.000 0.661 403 A CB -0.558 17.726 19.000 -1.193 0.000 0.801 403 A HN 0.661 nan 8.150 nan 0.000 0.452 404 I N -0.851 119.536 120.570 -0.304 0.000 2.499 404 I HA -0.105 4.065 4.170 -0.000 0.000 0.243 404 I C 2.731 178.671 176.117 -0.294 0.000 1.085 404 I CA 1.525 62.594 61.300 -0.386 0.000 1.422 404 I CB -0.609 36.989 38.000 -0.670 0.000 1.165 404 I HN 0.411 nan 8.210 nan 0.000 0.440 405 T N -1.763 112.684 114.554 -0.179 0.000 3.035 405 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 405 T C 1.021 175.693 174.700 -0.047 0.000 1.109 405 T CA 0.398 62.469 62.100 -0.048 0.000 1.119 405 T CB -0.296 68.598 68.868 0.043 0.000 0.900 405 T HN 0.270 nan 8.240 nan 0.000 0.503 406 K N 0.752 121.106 120.400 -0.076 0.000 3.069 406 K HA -0.168 4.152 4.320 -0.000 0.000 0.267 406 K C 0.201 176.792 176.600 -0.014 0.000 1.082 406 K CA 0.665 56.920 56.287 -0.054 0.000 0.782 406 K CB -2.211 30.256 32.500 -0.054 0.000 1.230 406 K HN 0.577 nan 8.250 nan 0.000 0.488 407 L N -3.784 117.441 121.223 0.002 0.000 4.613 407 L HA -0.234 4.106 4.340 -0.000 0.000 0.409 407 L C 1.414 178.299 176.870 0.025 0.000 1.100 407 L CA 0.735 55.590 54.840 0.025 0.000 1.029 407 L CB -1.951 40.125 42.059 0.028 0.000 2.137 407 L HN 0.563 nan 8.230 nan 0.000 0.713 408 G N -0.320 108.491 108.800 0.018 0.000 2.744 408 G HA2 0.412 4.372 3.960 -0.000 0.000 0.211 408 G HA3 0.412 4.372 3.960 -0.000 0.000 0.211 408 G C 1.031 175.943 174.900 0.020 0.000 1.143 408 G CA 0.888 45.998 45.100 0.018 0.000 0.788 408 G HN 1.047 nan 8.290 nan 0.000 0.534 409 G N -1.038 107.778 108.800 0.027 0.000 2.828 409 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.463 409 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.463 409 G C -0.564 174.313 174.900 -0.038 0.000 1.394 409 G CA -0.369 44.743 45.100 0.020 0.000 0.862 409 G HN 0.564 nan 8.290 nan 0.000 0.540 410 L N -0.271 120.879 121.223 -0.121 0.000 2.309 410 L HA 0.634 4.973 4.340 -0.000 0.000 0.261 410 L C -0.038 176.619 176.870 -0.354 0.000 1.021 410 L CA -1.142 53.505 54.840 -0.321 0.000 0.823 410 L CB 2.359 44.047 42.059 -0.619 0.000 1.366 410 L HN 0.666 nan 8.230 nan 0.000 0.423 411 N N 0.722 119.203 118.700 -0.365 0.000 2.626 411 N HA 0.342 5.082 4.740 -0.000 0.000 0.242 411 N C -1.337 174.016 175.510 -0.262 0.000 1.005 411 N CA -0.355 52.566 53.050 -0.215 0.000 0.905 411 N CB 0.278 38.699 38.487 -0.111 0.000 1.128 411 N HN 0.246 nan 8.380 nan 0.000 0.512 412 F N 3.218 123.156 119.950 -0.020 0.000 2.494 412 F HA 0.186 4.713 4.527 -0.000 0.000 0.369 412 F C 0.991 176.764 175.800 -0.044 0.000 1.098 412 F CA -0.256 57.723 58.000 -0.035 0.000 1.154 412 F CB 0.214 39.193 39.000 -0.036 0.000 1.103 412 F HN 0.134 nan 8.300 nan 0.000 0.549 413 V N -0.505 119.448 119.914 0.065 0.000 3.164 413 V HA 0.543 4.663 4.120 -0.000 0.000 0.313 413 V C -0.026 176.038 176.094 -0.050 0.000 1.188 413 V CA -0.799 61.502 62.300 0.003 0.000 1.058 413 V CB 1.974 33.782 31.823 -0.025 0.000 1.110 413 V HN 0.409 nan 8.190 nan 0.000 0.453 414 D N 0.619 120.977 120.400 -0.070 0.000 2.346 414 D HA 0.516 5.156 4.640 -0.000 0.000 0.206 414 D C 0.533 176.731 176.300 -0.171 0.000 1.001 414 D CA 1.525 55.465 54.000 -0.099 0.000 0.871 414 D CB 1.026 41.789 40.800 -0.063 0.000 0.943 414 D HN 1.007 nan 8.370 nan 0.000 0.518 415 A N -0.075 122.635 122.820 -0.184 0.000 2.517 415 A HA 0.472 4.792 4.320 -0.000 0.000 0.297 415 A C -0.975 176.504 177.584 -0.174 0.000 1.050 415 A CA -0.744 51.153 52.037 -0.234 0.000 0.694 415 A CB 0.462 19.397 19.000 -0.108 0.000 1.277 415 A HN -0.029 nan 8.150 nan 0.000 0.400 416 F N 1.445 121.386 119.950 -0.014 0.000 2.623 416 F HA 0.142 4.669 4.527 -0.000 0.000 0.383 416 F C 2.068 177.874 175.800 0.010 0.000 1.077 416 F CA 1.304 59.296 58.000 -0.012 0.000 1.268 416 F CB 1.043 40.031 39.000 -0.019 0.000 1.053 416 F HN 0.745 nan 8.300 nan 0.000 0.571 417 T N -0.943 113.762 114.554 0.252 0.000 3.023 417 T HA 0.359 4.709 4.350 -0.000 0.000 0.253 417 T C 1.344 176.184 174.700 0.233 0.000 1.038 417 T CA 0.346 62.566 62.100 0.200 0.000 0.962 417 T CB 0.526 69.492 68.868 0.162 0.000 1.018 417 T HN 1.064 nan 8.240 nan 0.000 0.521 418 G N 0.850 109.757 108.800 0.178 0.000 2.179 418 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.220 418 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.220 418 G C -0.309 174.554 174.900 -0.063 0.000 0.990 418 G CA -0.171 44.948 45.100 0.033 0.000 0.646 418 G HN 0.725 nan 8.290 nan 0.000 0.517 419 H N 0.981 120.046 119.070 -0.009 0.000 2.489 419 H HA 0.687 5.243 4.556 -0.000 0.000 0.322 419 H C 0.753 176.053 175.328 -0.045 0.000 1.091 419 H CA 0.275 56.310 56.048 -0.021 0.000 1.291 419 H CB 1.507 31.263 29.762 -0.011 0.000 1.436 419 H HN 0.567 nan 8.280 nan 0.000 0.480 420 A N 2.320 125.157 122.820 0.029 0.000 2.546 420 A HA 0.424 4.744 4.320 -0.000 0.000 0.243 420 A C 1.484 179.061 177.584 -0.011 0.000 1.063 420 A CA 0.777 52.806 52.037 -0.012 0.000 0.757 420 A CB -0.746 18.256 19.000 0.003 0.000 0.991 420 A HN 1.148 nan 8.150 nan 0.000 0.503 421 G N 2.021 110.768 108.800 -0.089 0.000 2.211 421 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.201 421 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.201 421 G C -0.178 174.608 174.900 -0.190 0.000 0.997 421 G CA 0.096 45.117 45.100 -0.131 0.000 0.652 421 G HN 0.774 nan 8.290 nan 0.000 0.500 422 D N 1.480 121.812 120.400 -0.113 0.000 2.390 422 D HA 0.614 5.254 4.640 -0.000 0.000 0.249 422 D C 0.527 176.811 176.300 -0.027 0.000 1.144 422 D CA 1.299 55.283 54.000 -0.027 0.000 0.880 422 D CB 1.422 42.332 40.800 0.184 0.000 1.182 422 D HN 0.801 nan 8.370 nan 0.000 0.451 423 A N 2.783 125.520 122.820 -0.138 0.000 2.435 423 A HA 0.759 5.079 4.320 -0.000 0.000 0.304 423 A C -0.706 176.855 177.584 -0.037 0.000 1.064 423 A CA -0.669 51.282 52.037 -0.142 0.000 0.727 423 A CB 1.102 19.803 19.000 -0.498 0.000 1.284 423 A HN 0.521 nan 8.150 nan 0.000 0.415 424 I N 1.560 122.132 120.570 0.004 0.000 2.466 424 I HA 0.400 4.570 4.170 -0.000 0.000 0.289 424 I C -0.997 175.141 176.117 0.035 0.000 1.026 424 I CA -0.890 60.385 61.300 -0.041 0.000 1.078 424 I CB 2.239 40.067 38.000 -0.286 0.000 1.249 424 I HN 0.287 nan 8.210 nan 0.000 0.429 425 V N 5.174 125.124 119.914 0.059 0.000 2.334 425 V HA 0.403 4.523 4.120 -0.000 0.000 0.281 425 V C 0.111 176.186 176.094 -0.032 0.000 1.016 425 V CA -0.197 62.104 62.300 0.001 0.000 0.832 425 V CB 1.208 32.995 31.823 -0.061 0.000 0.999 425 V HN 0.800 nan 8.190 nan 0.000 0.439 426 S N 3.535 119.219 115.700 -0.026 0.000 2.767 426 S HA 0.860 5.330 4.470 -0.000 0.000 0.300 426 S C -1.269 173.389 174.600 0.096 0.000 1.123 426 S CA -0.546 57.657 58.200 0.005 0.000 0.992 426 S CB 1.865 65.052 63.200 -0.023 0.000 1.138 426 S HN 0.671 nan 8.310 nan 0.000 0.550 427 Y N -0.543 119.713 120.300 -0.075 0.000 2.465 427 Y HA 0.389 4.939 4.550 -0.000 0.000 0.323 427 Y C -0.701 175.168 175.900 -0.051 0.000 1.191 427 Y CA -0.588 57.472 58.100 -0.065 0.000 1.082 427 Y CB 0.012 38.434 38.460 -0.062 0.000 1.334 427 Y HN 0.852 nan 8.280 nan 0.000 0.449 428 H N 2.640 121.328 119.070 -0.636 0.000 2.439 428 H HA 0.635 5.191 4.556 -0.000 0.000 0.239 428 H C 0.248 175.094 175.328 -0.803 0.000 1.432 428 H CA -0.153 55.571 56.048 -0.541 0.000 1.373 428 H CB 0.511 30.108 29.762 -0.274 0.000 1.463 428 H HN 1.007 nan 8.280 nan 0.000 0.530 429 Q N 0.976 120.192 119.800 -0.974 0.000 2.737 429 Q HA 0.544 4.884 4.340 -0.000 0.000 0.224 429 Q C 1.070 176.915 176.000 -0.258 0.000 1.325 429 Q CA 0.859 56.296 55.803 -0.609 0.000 0.868 429 Q CB -1.365 nan 28.738 nan 0.000 1.711 429 Q HN 1.798 nan 8.270 nan 0.000 0.540 430 A N -1.166 121.518 122.820 -0.227 0.000 1.781 430 A HA 0.242 4.562 4.320 -0.000 0.000 0.180 430 A C 1.652 179.181 177.584 -0.091 0.000 1.996 430 A CA 0.912 52.878 52.037 -0.118 0.000 1.576 430 A CB -0.144 18.788 19.000 -0.112 0.000 1.609 430 A HN 0.650 nan 8.150 nan 0.000 0.304 431 S N 0.063 115.688 115.700 -0.125 0.000 2.523 431 S HA 0.168 4.638 4.470 -0.000 0.000 0.217 431 S C 0.767 175.340 174.600 -0.046 0.000 0.996 431 S CA 0.416 58.570 58.200 -0.076 0.000 0.921 431 S CB -0.148 63.001 63.200 -0.085 0.000 0.829 431 S HN 0.688 nan 8.310 nan 0.000 0.495 432 N N 0.737 119.394 118.700 -0.071 0.000 2.741 432 N HA -0.217 4.523 4.740 -0.000 0.000 0.251 432 N C -0.168 175.460 175.510 0.196 0.000 1.112 432 N CA 0.143 53.258 53.050 0.108 0.000 0.750 432 N CB -0.785 37.778 38.487 0.127 0.000 1.119 432 N HN 0.460 nan 8.380 nan 0.000 0.561 433 A N 0.282 123.123 122.820 0.035 0.000 2.301 433 A HA 0.696 5.016 4.320 -0.000 0.000 0.298 433 A C 0.696 178.384 177.584 0.173 0.000 1.185 433 A CA 0.406 52.480 52.037 0.061 0.000 0.830 433 A CB 1.302 20.285 19.000 -0.028 0.000 1.112 433 A HN 0.382 nan 8.150 nan 0.000 0.508 434 G N 0.285 109.176 108.800 0.152 0.000 2.600 434 G HA2 0.716 4.676 3.960 -0.000 0.000 0.303 434 G HA3 0.716 4.676 3.960 -0.000 0.000 0.303 434 G C -0.484 174.400 174.900 -0.027 0.000 1.253 434 G CA 0.063 45.242 45.100 0.131 0.000 0.974 434 G HN 1.764 nan 8.290 nan 0.000 0.483 435 S N -1.329 114.337 115.700 -0.056 0.000 2.565 435 S HA 0.652 5.122 4.470 -0.000 0.000 0.269 435 S C -1.820 172.725 174.600 -0.091 0.000 1.153 435 S CA -0.736 57.406 58.200 -0.096 0.000 0.835 435 S CB 1.816 64.970 63.200 -0.076 0.000 1.122 435 S HN 1.379 nan 8.310 nan 0.000 0.462 436 L N 1.384 122.547 121.223 -0.099 0.000 2.376 436 L HA 0.654 4.994 4.340 -0.000 0.000 0.275 436 L C -0.980 175.886 176.870 -0.007 0.000 0.987 436 L CA -0.040 54.779 54.840 -0.036 0.000 0.828 436 L CB 1.674 43.718 42.059 -0.024 0.000 1.249 436 L HN 0.913 nan 8.230 nan 0.000 0.409 437 Q N 3.597 123.429 119.800 0.053 0.000 2.342 437 Q HA 0.857 5.197 4.340 -0.000 0.000 0.267 437 Q C -1.502 174.615 176.000 0.195 0.000 1.038 437 Q CA -0.940 54.949 55.803 0.143 0.000 0.832 437 Q CB 3.085 31.952 28.738 0.216 0.000 1.323 437 Q HN 0.555 nan 8.270 nan 0.000 0.448 438 V N 0.705 120.697 119.914 0.132 0.000 2.971 438 V HA 0.301 4.421 4.120 -0.000 0.000 0.309 438 V C -1.443 174.437 176.094 -0.356 0.000 1.130 438 V CA -0.831 61.369 62.300 -0.167 0.000 0.964 438 V CB 2.356 33.816 31.823 -0.605 0.000 1.029 438 V HN 0.757 nan 8.190 nan 0.000 0.427 439 D N 1.334 121.429 120.400 -0.509 0.000 2.462 439 D HA 0.431 5.071 4.640 -0.000 0.000 0.249 439 D C 0.132 176.211 176.300 -0.368 0.000 1.117 439 D CA -0.342 53.345 54.000 -0.521 0.000 0.900 439 D CB 0.818 41.173 40.800 -0.741 0.000 1.039 439 D HN 0.248 nan 8.370 nan 0.000 0.516 440 F N 1.283 121.149 119.950 -0.140 0.000 2.234 440 F HA -0.056 4.471 4.527 -0.000 0.000 0.296 440 F C 2.630 178.369 175.800 -0.101 0.000 1.089 440 F CA 1.011 58.939 58.000 -0.120 0.000 1.343 440 F CB -0.259 38.666 39.000 -0.126 0.000 1.040 440 F HN 0.394 nan 8.300 nan 0.000 0.498 441 S N -0.802 114.947 115.700 0.082 0.000 2.562 441 S HA 0.238 4.708 4.470 -0.000 0.000 0.221 441 S C 1.775 176.354 174.600 -0.036 0.000 0.975 441 S CA 0.394 58.605 58.200 0.018 0.000 0.918 441 S CB -0.519 62.685 63.200 0.006 0.000 0.772 441 S HN 0.556 nan 8.310 nan 0.000 0.531 442 G N 0.247 109.000 108.800 -0.079 0.000 2.198 442 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 442 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 442 G C 0.574 175.407 174.900 -0.112 0.000 1.025 442 G CA 0.540 45.580 45.100 -0.100 0.000 0.769 442 G HN 1.147 nan 8.290 nan 0.000 0.507 443 Q N -0.472 119.254 119.800 -0.124 0.000 2.282 443 Q HA 0.568 4.908 4.340 -0.000 0.000 0.205 443 Q C 2.603 178.534 176.000 -0.116 0.000 0.915 443 Q CA 1.335 57.076 55.803 -0.103 0.000 0.949 443 Q CB -0.508 28.181 28.738 -0.082 0.000 1.035 443 Q HN 2.501 nan 8.270 nan 0.000 0.484 444 G N -1.492 107.219 108.800 -0.148 0.000 2.168 444 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.263 444 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.263 444 G C 0.381 175.195 174.900 -0.143 0.000 0.977 444 G CA 0.794 45.835 45.100 -0.099 0.000 0.659 444 G HN 1.568 nan 8.290 nan 0.000 0.533 445 V N -0.712 119.001 119.914 -0.335 0.000 3.087 445 V HA 0.831 4.951 4.120 -0.000 0.000 0.306 445 V C 0.266 175.993 176.094 -0.613 0.000 1.187 445 V CA -0.050 62.047 62.300 -0.338 0.000 0.999 445 V CB 1.926 33.694 31.823 -0.092 0.000 1.049 445 V HN 1.724 nan 8.190 nan 0.000 0.431 446 A N 2.936 125.459 122.820 -0.495 0.000 2.520 446 A HA 0.462 4.782 4.320 -0.000 0.000 0.245 446 A C 0.364 177.875 177.584 -0.122 0.000 1.072 446 A CA 0.678 52.530 52.037 -0.308 0.000 0.761 446 A CB -0.054 19.027 19.000 0.135 0.000 1.004 446 A HN 1.092 nan 8.150 nan 0.000 0.499 447 D N 0.519 120.879 120.400 -0.066 0.000 2.513 447 D HA 0.239 4.879 4.640 -0.000 0.000 0.222 447 D C -0.568 175.856 176.300 0.207 0.000 1.210 447 D CA -0.103 53.927 54.000 0.051 0.000 0.825 447 D CB -0.060 40.771 40.800 0.052 0.000 1.037 447 D HN 0.250 nan 8.370 nan 0.000 0.506 448 F N 0.813 120.761 119.950 -0.003 0.000 2.630 448 F HA 0.520 5.047 4.527 -0.000 0.000 0.325 448 F C -2.355 173.422 175.800 -0.038 0.000 1.184 448 F CA -1.205 56.809 58.000 0.024 0.000 1.011 448 F CB 1.693 40.782 39.000 0.148 0.000 1.268 448 F HN -0.127 nan 8.300 nan 0.000 0.480 449 L N 7.202 128.078 121.223 -0.578 0.000 2.410 449 L HA 0.859 5.199 4.340 -0.000 0.000 0.270 449 L C -1.822 174.674 176.870 -0.623 0.000 0.983 449 L CA -0.691 53.884 54.840 -0.441 0.000 0.822 449 L CB 2.070 44.000 42.059 -0.215 0.000 1.285 449 L HN 0.387 nan 8.230 nan 0.000 0.409 450 V N 3.626 123.256 119.914 -0.475 0.000 2.462 450 V HA 0.468 4.588 4.120 -0.000 0.000 0.288 450 V C 0.008 175.952 176.094 -0.249 0.000 1.020 450 V CA -0.257 61.800 62.300 -0.404 0.000 0.857 450 V CB 1.775 33.312 31.823 -0.476 0.000 1.013 450 V HN 0.892 nan 8.190 nan 0.000 0.431 451 T N 1.120 115.555 114.554 -0.198 0.000 2.922 451 T HA 0.817 5.167 4.350 -0.000 0.000 0.285 451 T C 0.042 174.637 174.700 -0.176 0.000 1.005 451 T CA -0.262 61.742 62.100 -0.160 0.000 1.061 451 T CB 1.928 70.722 68.868 -0.123 0.000 1.007 451 T HN 0.839 nan 8.240 nan 0.000 0.502 452 T N -1.660 112.801 114.554 -0.156 0.000 2.883 452 T HA 0.552 4.902 4.350 -0.000 0.000 0.301 452 T C -0.999 173.652 174.700 -0.081 0.000 1.158 452 T CA -0.878 61.127 62.100 -0.159 0.000 1.007 452 T CB 1.417 70.150 68.868 -0.226 0.000 1.186 452 T HN 0.557 nan 8.240 nan 0.000 0.499 453 V N 2.132 121.999 119.914 -0.078 0.000 2.288 453 V HA 0.754 4.874 4.120 -0.000 0.000 0.266 453 V C 0.797 176.920 176.094 0.049 0.000 1.048 453 V CA 0.620 62.905 62.300 -0.025 0.000 0.842 453 V CB -0.147 31.625 31.823 -0.086 0.000 1.064 453 V HN 1.535 nan 8.190 nan 0.000 0.472 454 G N 3.890 112.753 108.800 0.106 0.000 2.435 454 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.603 454 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.603 454 G C -0.928 173.984 174.900 0.020 0.000 1.496 454 G CA -0.897 44.274 45.100 0.118 0.000 0.896 454 G HN 0.622 nan 8.290 nan 0.000 0.657 455 Q N 0.093 119.759 119.800 -0.224 0.000 2.300 455 Q HA 0.411 4.751 4.340 -0.000 0.000 0.280 455 Q C 0.052 175.910 176.000 -0.236 0.000 1.033 455 Q CA -0.061 55.371 55.803 -0.619 0.000 0.903 455 Q CB 0.781 28.920 28.738 -0.998 0.000 1.195 455 Q HN 0.549 nan 8.270 nan 0.000 0.386 456 V N 3.328 123.058 119.914 -0.306 0.000 2.435 456 V HA 0.666 4.786 4.120 -0.000 0.000 0.290 456 V C -0.081 175.811 176.094 -0.336 0.000 1.030 456 V CA -0.521 61.597 62.300 -0.302 0.000 0.881 456 V CB 1.211 32.753 31.823 -0.468 0.000 0.983 456 V HN 0.910 nan 8.190 nan 0.000 0.445 457 A N 2.778 125.348 122.820 -0.416 0.000 2.299 457 A HA 0.645 4.965 4.320 -0.000 0.000 0.332 457 A C 1.237 178.409 177.584 -0.687 0.000 1.131 457 A CA 0.226 51.844 52.037 -0.698 0.000 0.844 457 A CB 1.171 19.334 19.000 -1.394 0.000 1.251 457 A HN 1.002 nan 8.150 nan 0.000 0.486 458 T N -2.077 112.029 114.554 -0.747 0.000 2.962 458 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 458 T C 1.069 175.477 174.700 -0.487 0.000 1.088 458 T CA 1.999 63.550 62.100 -0.915 0.000 1.127 458 T CB -0.657 67.468 68.868 -1.238 0.000 0.883 458 T HN 0.881 nan 8.240 nan 0.000 0.493 459 Y N 0.102 120.284 120.300 -0.197 0.000 2.461 459 Y HA 0.478 5.028 4.550 -0.000 0.000 0.277 459 Y C 1.004 176.912 175.900 0.014 0.000 1.182 459 Y CA -1.231 56.826 58.100 -0.072 0.000 1.276 459 Y CB -0.462 37.958 38.460 -0.067 0.000 1.087 459 Y HN 0.105 nan 8.280 nan 0.000 0.519 460 D N 0.834 121.237 120.400 0.005 0.000 2.349 460 D HA 0.200 4.840 4.640 -0.000 0.000 0.214 460 D C 0.124 176.565 176.300 0.235 0.000 1.063 460 D CA 0.344 54.469 54.000 0.209 0.000 0.847 460 D CB 0.668 41.640 40.800 0.286 0.000 0.933 460 D HN 0.368 nan 8.370 nan 0.000 0.513 461 I N 1.292 121.959 120.570 0.162 0.000 2.359 461 I HA 0.153 4.323 4.170 -0.000 0.000 0.294 461 I C -0.230 176.029 176.117 0.237 0.000 0.987 461 I CA -0.698 60.737 61.300 0.225 0.000 1.225 461 I CB 2.357 40.526 38.000 0.280 0.000 1.366 461 I HN -0.403 nan 8.210 nan 0.000 0.466 462 V N 6.441 126.494 119.914 0.232 0.000 2.311 462 V HA 0.734 4.854 4.120 -0.000 0.000 0.275 462 V C 0.245 176.445 176.094 0.175 0.000 1.022 462 V CA -0.141 62.277 62.300 0.196 0.000 0.830 462 V CB 0.763 32.700 31.823 0.190 0.000 1.012 462 V HN 0.897 nan 8.190 nan 0.000 0.452 463 A N 0.000 122.911 122.820 0.152 0.000 2.254 463 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 463 A CA 0.000 52.103 52.037 0.111 0.000 0.836 463 A CB 0.000 19.061 19.000 0.102 0.000 0.831 463 A HN 0.000 nan 8.150 nan 0.000 0.486