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 3fql_1_A DATA FIRST_RESID 0 DATA SEQUENCE HHMSYTWTGA LITPCAAEET KLPINALSNS LLRHHNLVYA TTSRSASLRQ DATA SEQUENCE KKVTFDRLQV LDDHYRDVLK EMKAKASTVK AKLLSVEEAC KLTPPHSARS DATA SEQUENCE KFGYGAKDVR NLSSKAVNHI RSVWKDLLED TETPIDTTIM AKNEVFCVXX DATA SEQUENCE XXXXRKPARL IVFPDLGVRV CEKMALYDVV STLPQAVMGS SYGFQYSPGQ DATA SEQUENCE RVEFLVNAWK AKKCPMGFAY DTRCFDSTVT ENDIRVEESI YQCCDLAPEA DATA SEQUENCE RQAIRSLTER LYIGGPLTNS KGQNCGYRRC RASGVLTTSC GNTLTCYLKA DATA SEQUENCE AAACRAAKLQ DCTMLVCGDD LVVICESAGT QEDEASLRAF TEAMTRYSAP DATA SEQUENCE PGDPPKPEYD LELITSCSSN VSVAHDASGK RVYYLTRDPT TPLARAAWET DATA SEQUENCE ARHTPVNSWL GNIIMYAPTL WARMILMTHF FSILLAQEQL EKALDCQIYG DATA SEQUENCE ACYSIEPLDL PQIIQRLHGL SAFSLHSYSP GEINRVASCL RKLGVPPLRV DATA SEQUENCE WRHRARSVRA RLLSQGGRAA TCGKYLFNWA VRTKLKLTPI PAASQLDLSS DATA SEQUENCE WFVAGYSGGD IYHSLS 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.400 175.328 0.119 0.000 0.993 0 H CA 0.000 56.090 56.048 0.071 0.000 1.023 0 H CB 0.000 29.795 29.762 0.055 0.000 1.292 1 H N 3.714 122.730 119.070 -0.090 0.000 2.538 1 H HA 0.270 4.726 4.556 -0.168 0.000 0.239 1 H C -0.787 174.491 175.328 -0.084 0.000 1.401 1 H CA -0.783 55.172 56.048 -0.155 0.000 1.499 1 H CB 0.425 30.131 29.762 -0.094 0.000 1.624 1 H HN 0.296 nan 8.280 nan 0.000 0.524 2 M N 1.988 121.578 119.600 -0.017 0.000 2.235 2 M HA 0.080 4.459 4.480 -0.168 0.000 0.351 2 M C 1.818 177.983 176.300 -0.226 0.000 1.178 2 M CA -0.045 55.216 55.300 -0.066 0.000 1.143 2 M CB 1.238 33.870 32.600 0.053 0.000 1.530 2 M HN 0.606 nan 8.290 nan 0.000 0.461 3 S N 1.996 117.483 115.700 -0.354 0.000 2.382 3 S HA -0.074 4.295 4.470 -0.168 0.000 0.228 3 S C 0.122 174.297 174.600 -0.709 0.000 1.027 3 S CA 0.957 58.830 58.200 -0.545 0.000 0.991 3 S CB -0.240 62.581 63.200 -0.633 0.000 0.823 3 S HN 0.646 nan 8.310 nan 0.000 0.469 4 Y N 0.802 120.927 120.300 -0.291 0.000 2.562 4 Y HA 0.566 5.015 4.550 -0.169 0.000 0.345 4 Y C 0.050 175.648 175.900 -0.503 0.000 1.045 4 Y CA -0.921 56.881 58.100 -0.496 0.000 1.028 4 Y CB 1.969 39.930 38.460 -0.831 0.000 1.297 4 Y HN 0.121 nan 8.280 nan 0.000 0.463 5 T N -2.369 111.939 114.554 -0.411 0.000 2.908 5 T HA 0.731 4.980 4.350 -0.168 0.000 0.290 5 T C -1.339 173.078 174.700 -0.471 0.000 1.034 5 T CA -0.799 61.119 62.100 -0.304 0.000 1.010 5 T CB 1.309 70.139 68.868 -0.063 0.000 1.068 5 T HN 0.573 nan 8.240 nan 0.000 0.481 6 W N 0.556 121.924 121.300 0.114 0.000 2.936 6 W HA 0.463 5.022 4.660 -0.169 0.000 0.338 6 W C 1.321 177.878 176.519 0.063 0.000 1.121 6 W CA -0.802 56.592 57.345 0.081 0.000 1.209 6 W CB 2.197 31.687 29.460 0.051 0.000 1.420 6 W HN 0.912 nan 8.180 nan 0.000 0.516 7 T N -2.289 112.452 114.554 0.313 0.000 3.035 7 T HA 0.306 4.555 4.350 -0.168 0.000 0.259 7 T C 1.460 176.249 174.700 0.148 0.000 1.078 7 T CA 1.029 63.239 62.100 0.183 0.000 1.132 7 T CB 0.040 68.993 68.868 0.142 0.000 0.900 7 T HN 1.239 nan 8.240 nan 0.000 0.480 8 G N 1.320 110.213 108.800 0.156 0.000 2.253 8 G HA2 0.028 3.887 3.960 -0.168 0.000 0.209 8 G HA3 0.028 3.887 3.960 -0.168 0.000 0.209 8 G C 0.392 175.319 174.900 0.045 0.000 0.997 8 G CA -0.141 45.004 45.100 0.075 0.000 0.640 8 G HN 1.105 nan 8.290 nan 0.000 0.496 9 A N 0.966 123.828 122.820 0.069 0.000 2.531 9 A HA 0.598 4.817 4.320 -0.168 0.000 0.236 9 A C 0.803 178.399 177.584 0.020 0.000 1.062 9 A CA 0.365 52.431 52.037 0.047 0.000 0.760 9 A CB 0.136 19.175 19.000 0.065 0.000 0.995 9 A HN 0.913 nan 8.150 nan 0.000 0.501 10 L N 1.772 122.994 121.223 -0.002 0.000 2.439 10 L HA 0.322 4.561 4.340 -0.168 0.000 0.261 10 L C 0.047 176.904 176.870 -0.022 0.000 1.153 10 L CA -0.387 54.433 54.840 -0.033 0.000 0.808 10 L CB 0.757 42.800 42.059 -0.027 0.000 1.126 10 L HN 0.559 nan 8.230 nan 0.000 0.460 11 I N 1.467 122.007 120.570 -0.050 0.000 2.379 11 I HA 0.104 4.173 4.170 -0.168 0.000 0.290 11 I C 0.450 176.563 176.117 -0.007 0.000 1.063 11 I CA -0.002 61.284 61.300 -0.023 0.000 1.351 11 I CB 0.887 38.859 38.000 -0.046 0.000 1.410 11 I HN 0.646 nan 8.210 nan 0.000 0.505 12 T N 4.897 119.457 114.554 0.010 0.000 2.895 12 T HA 0.592 4.841 4.350 -0.168 0.000 0.283 12 T C -2.447 172.269 174.700 0.028 0.000 1.014 12 T CA -2.069 60.040 62.100 0.015 0.000 1.037 12 T CB 1.827 70.703 68.868 0.013 0.000 1.006 12 T HN 0.253 nan 8.240 nan 0.000 0.468 13 P HA 0.292 nan 4.420 nan 0.000 0.276 13 P C 0.055 177.378 177.300 0.040 0.000 1.261 13 P CA -0.689 62.434 63.100 0.039 0.000 0.800 13 P CB 0.930 32.654 31.700 0.039 0.000 1.066 14 C N -0.051 119.277 119.300 0.047 0.000 2.906 14 C HA 0.652 5.011 4.460 -0.168 0.000 0.274 14 C C 0.770 175.783 174.990 0.038 0.000 1.257 14 C CA 0.819 59.864 59.018 0.044 0.000 1.695 14 C CB -1.465 26.309 27.740 0.057 0.000 1.958 14 C HN 0.752 nan 8.230 nan 0.000 0.619 15 A N -0.634 122.209 122.820 0.040 0.000 2.410 15 A HA 0.656 4.876 4.320 -0.168 0.000 0.300 15 A C -0.912 176.699 177.584 0.045 0.000 1.077 15 A CA 0.138 52.199 52.037 0.040 0.000 0.610 15 A CB -0.528 18.498 19.000 0.043 0.000 1.371 15 A HN 0.820 nan 8.150 nan 0.000 0.510 16 A N -0.084 122.765 122.820 0.048 0.000 2.498 16 A HA 0.533 4.752 4.320 -0.168 0.000 0.239 16 A C -0.051 177.577 177.584 0.073 0.000 1.068 16 A CA 0.471 52.541 52.037 0.056 0.000 0.766 16 A CB -0.285 18.747 19.000 0.054 0.000 1.003 16 A HN 0.570 nan 8.150 nan 0.000 0.497 17 E N 1.635 121.884 120.200 0.081 0.000 2.155 17 E HA 0.256 4.505 4.350 -0.168 0.000 0.264 17 E C -0.942 175.742 176.600 0.140 0.000 0.886 17 E CA -0.401 56.062 56.400 0.104 0.000 0.752 17 E CB 1.611 31.363 29.700 0.086 0.000 1.133 17 E HN 0.738 nan 8.360 nan 0.000 0.414 18 E N 1.368 121.690 120.200 0.204 0.000 2.313 18 E HA 0.050 4.299 4.350 -0.168 0.000 0.276 18 E C 0.630 177.449 176.600 0.366 0.000 1.031 18 E CA 0.119 56.685 56.400 0.277 0.000 0.857 18 E CB 1.145 31.061 29.700 0.360 0.000 1.040 18 E HN 0.615 nan 8.360 nan 0.000 0.408 19 T N 0.086 114.834 114.554 0.323 0.000 3.018 19 T HA 0.111 4.360 4.350 -0.168 0.000 0.246 19 T C 0.551 175.524 174.700 0.454 0.000 1.026 19 T CA -0.083 62.228 62.100 0.353 0.000 1.081 19 T CB 0.335 69.344 68.868 0.235 0.000 0.970 19 T HN 0.119 nan 8.240 nan 0.000 0.475 20 K N 1.410 122.001 120.400 0.318 0.000 2.143 20 K HA 0.521 4.740 4.320 -0.168 0.000 0.272 20 K C -0.923 175.703 176.600 0.043 0.000 1.001 20 K CA -0.937 55.490 56.287 0.234 0.000 0.915 20 K CB 1.560 34.135 32.500 0.126 0.000 1.047 20 K HN 0.090 nan 8.250 nan 0.000 0.458 21 L N 5.118 126.383 121.223 0.070 0.000 2.477 21 L HA 0.133 4.372 4.340 -0.168 0.000 0.272 21 L C -2.376 174.312 176.870 -0.304 0.000 1.157 21 L CA -1.383 53.310 54.840 -0.245 0.000 0.889 21 L CB -0.166 41.948 42.059 0.092 0.000 1.158 21 L HN 0.425 nan 8.230 nan 0.000 0.473 22 P HA 0.078 nan 4.420 nan 0.000 0.268 22 P C -0.766 176.367 177.300 -0.278 0.000 1.204 22 P CA -0.111 62.791 63.100 -0.331 0.000 0.768 22 P CB 0.218 31.712 31.700 -0.343 0.000 0.842 23 I N 3.486 123.883 120.570 -0.287 0.000 2.436 23 I HA 0.199 4.268 4.170 -0.168 0.000 0.289 23 I C 0.770 176.791 176.117 -0.160 0.000 1.083 23 I CA 0.070 61.196 61.300 -0.290 0.000 1.372 23 I CB -0.985 36.808 38.000 -0.344 0.000 1.408 23 I HN 0.446 nan 8.210 nan 0.000 0.516 24 N N 4.612 123.247 118.700 -0.109 0.000 2.264 24 N HA 0.368 5.007 4.740 -0.168 0.000 0.288 24 N C 0.364 175.855 175.510 -0.032 0.000 1.094 24 N CA -0.256 52.755 53.050 -0.066 0.000 0.817 24 N CB 2.468 40.917 38.487 -0.064 0.000 1.604 24 N HN 0.467 nan 8.380 nan 0.000 0.473 25 A N 3.522 126.329 122.820 -0.023 0.000 1.908 25 A HA -0.079 4.140 4.320 -0.168 0.000 0.218 25 A C 2.067 179.654 177.584 0.005 0.000 1.181 25 A CA 1.093 53.124 52.037 -0.010 0.000 0.627 25 A CB -0.592 18.399 19.000 -0.014 0.000 0.818 25 A HN 0.693 nan 8.150 nan 0.000 0.445 26 L N 0.244 121.472 121.223 0.008 0.000 2.027 26 L HA -0.188 4.052 4.340 -0.168 0.000 0.206 26 L C 3.118 180.049 176.870 0.101 0.000 1.074 26 L CA 1.770 56.631 54.840 0.035 0.000 0.745 26 L CB -0.392 41.666 42.059 -0.001 0.000 0.898 26 L HN 0.655 nan 8.230 nan 0.000 0.433 27 S N -0.896 114.841 115.700 0.061 0.000 2.382 27 S HA -0.225 4.145 4.470 -0.168 0.000 0.228 27 S C 1.658 176.281 174.600 0.039 0.000 1.027 27 S CA 1.585 59.818 58.200 0.054 0.000 0.991 27 S CB -0.655 62.558 63.200 0.022 0.000 0.823 27 S HN 0.413 nan 8.310 nan 0.000 0.469 28 N N 1.930 120.650 118.700 0.033 0.000 2.381 28 N HA -0.068 4.572 4.740 -0.168 0.000 0.182 28 N C 1.762 177.288 175.510 0.027 0.000 1.025 28 N CA 1.212 54.284 53.050 0.038 0.000 0.888 28 N CB -0.314 38.193 38.487 0.033 0.000 0.965 28 N HN 0.652 nan 8.380 nan 0.000 0.438 29 S N -0.816 114.905 115.700 0.035 0.000 2.481 29 S HA -0.065 4.304 4.470 -0.168 0.000 0.231 29 S C 1.698 176.333 174.600 0.059 0.000 0.996 29 S CA 0.380 58.590 58.200 0.018 0.000 0.942 29 S CB -0.199 63.017 63.200 0.027 0.000 0.768 29 S HN 0.310 nan 8.310 nan 0.000 0.520 30 L N 0.256 121.518 121.223 0.064 0.000 2.168 30 L HA 0.561 4.800 4.340 -0.168 0.000 0.203 30 L C 0.314 177.229 176.870 0.074 0.000 1.078 30 L CA 1.048 55.922 54.840 0.057 0.000 0.780 30 L CB 0.058 41.882 42.059 -0.392 0.000 0.939 30 L HN 0.524 nan 8.230 nan 0.000 0.451 31 L N -0.684 120.554 121.223 0.024 0.000 2.580 31 L HA 0.358 4.597 4.340 -0.168 0.000 0.266 31 L C 0.434 177.316 176.870 0.021 0.000 0.955 31 L CA -0.380 54.467 54.840 0.013 0.000 0.886 31 L CB 1.328 43.406 42.059 0.031 0.000 1.263 31 L HN 0.001 nan 8.230 nan 0.000 0.406 32 R N 1.363 121.829 120.500 -0.058 0.000 2.189 32 R HA 0.138 4.377 4.340 -0.168 0.000 0.203 32 R C 0.106 176.446 176.300 0.066 0.000 1.012 32 R CA 0.406 56.501 56.100 -0.009 0.000 1.015 32 R CB 0.133 30.383 30.300 -0.083 0.000 0.938 32 R HN 0.655 nan 8.270 nan 0.000 0.472 33 H N 0.800 119.870 119.070 -0.000 0.000 2.768 33 H HA 0.016 4.471 4.556 -0.168 0.000 0.219 33 H C 0.730 176.009 175.328 -0.082 0.000 1.898 33 H CA -0.439 55.556 56.048 -0.089 0.000 1.313 33 H CB -0.028 29.709 29.762 -0.042 0.000 1.701 33 H HN 0.418 nan 8.280 nan 0.000 0.534 34 H N -1.032 118.131 119.070 0.154 0.000 2.489 34 H HA -0.102 4.353 4.556 -0.168 0.000 0.293 34 H C 1.364 176.770 175.328 0.131 0.000 1.066 34 H CA 0.860 56.978 56.048 0.117 0.000 1.305 34 H CB -0.016 29.786 29.762 0.068 0.000 1.386 34 H HN 0.335 nan 8.280 nan 0.000 0.551 35 N N 0.626 119.266 118.700 -0.100 0.000 2.381 35 N HA -0.054 4.585 4.740 -0.168 0.000 0.182 35 N C 1.502 177.080 175.510 0.113 0.000 1.025 35 N CA 0.788 53.867 53.050 0.049 0.000 0.888 35 N CB 0.016 38.463 38.487 -0.066 0.000 0.965 35 N HN 0.455 nan 8.380 nan 0.000 0.438 36 L N 0.323 121.616 121.223 0.118 0.000 2.376 36 L HA 0.036 4.275 4.340 -0.168 0.000 0.219 36 L C 0.243 177.275 176.870 0.270 0.000 1.133 36 L CA 0.317 55.255 54.840 0.164 0.000 0.816 36 L CB 0.099 42.241 42.059 0.138 0.000 0.933 36 L HN -0.147 nan 8.230 nan 0.000 0.449 37 V N 0.068 120.152 119.914 0.284 0.000 2.394 37 V HA 0.269 4.288 4.120 -0.168 0.000 0.282 37 V C -0.559 175.793 176.094 0.430 0.000 1.031 37 V CA -0.642 61.844 62.300 0.310 0.000 0.881 37 V CB 0.863 32.855 31.823 0.282 0.000 0.982 37 V HN 0.170 nan 8.190 nan 0.000 0.451 38 Y N 2.659 123.116 120.300 0.262 0.000 2.588 38 Y HA 0.922 5.372 4.550 -0.167 0.000 0.343 38 Y C -0.370 175.614 175.900 0.138 0.000 1.065 38 Y CA -1.538 56.721 58.100 0.266 0.000 1.038 38 Y CB 1.604 40.179 38.460 0.192 0.000 1.297 38 Y HN 0.678 nan 8.280 nan 0.000 0.467 39 A N 1.616 124.512 122.820 0.128 0.000 2.337 39 A HA 0.668 4.887 4.320 -0.168 0.000 0.329 39 A C -0.001 177.673 177.584 0.150 0.000 1.146 39 A CA -0.347 51.584 52.037 -0.176 0.000 0.800 39 A CB 0.369 19.081 19.000 -0.480 0.000 1.220 39 A HN 1.065 nan 8.150 nan 0.000 0.472 40 T N 0.036 114.669 114.554 0.131 0.000 2.898 40 T HA 0.563 4.812 4.350 -0.168 0.000 0.301 40 T C 0.386 175.155 174.700 0.115 0.000 1.049 40 T CA 0.406 62.631 62.100 0.208 0.000 1.095 40 T CB 0.762 69.764 68.868 0.222 0.000 0.976 40 T HN 1.483 nan 8.240 nan 0.000 0.539 41 T N -2.161 112.459 114.554 0.110 0.000 2.812 41 T HA 0.475 4.724 4.350 -0.168 0.000 0.294 41 T C 1.331 176.066 174.700 0.057 0.000 1.159 41 T CA -0.246 61.901 62.100 0.078 0.000 1.008 41 T CB 1.201 70.119 68.868 0.084 0.000 1.289 41 T HN 0.771 nan 8.240 nan 0.000 0.514 42 S N 0.046 115.772 115.700 0.044 0.000 2.469 42 S HA -0.122 4.248 4.470 -0.168 0.000 0.238 42 S C 1.723 176.329 174.600 0.009 0.000 0.998 42 S CA 0.393 58.607 58.200 0.024 0.000 0.957 42 S CB -0.699 62.515 63.200 0.023 0.000 0.764 42 S HN 0.714 nan 8.310 nan 0.000 0.514 43 R N 1.545 122.057 120.500 0.020 0.000 2.193 43 R HA -0.016 4.223 4.340 -0.168 0.000 0.229 43 R C 2.021 178.319 176.300 -0.004 0.000 1.110 43 R CA 1.413 57.518 56.100 0.009 0.000 0.988 43 R CB -0.450 29.862 30.300 0.020 0.000 0.871 43 R HN 0.726 nan 8.270 nan 0.000 0.458 44 S N -0.809 114.893 115.700 0.004 0.000 2.557 44 S HA 0.247 4.616 4.470 -0.168 0.000 0.223 44 S C 1.713 176.296 174.600 -0.029 0.000 0.969 44 S CA 0.130 58.325 58.200 -0.009 0.000 0.927 44 S CB 0.899 64.107 63.200 0.013 0.000 0.806 44 S HN 0.252 nan 8.310 nan 0.000 0.489 45 A N 2.824 125.620 122.820 -0.041 0.000 1.933 45 A HA -0.072 4.148 4.320 -0.168 0.000 0.218 45 A C 2.462 179.961 177.584 -0.141 0.000 1.175 45 A CA 1.886 53.878 52.037 -0.075 0.000 0.628 45 A CB -1.257 17.698 19.000 -0.075 0.000 0.814 45 A HN 0.832 nan 8.150 nan 0.000 0.444 46 S N 0.188 115.800 115.700 -0.147 0.000 2.399 46 S HA -0.092 4.277 4.470 -0.168 0.000 0.231 46 S C 1.845 176.351 174.600 -0.158 0.000 1.022 46 S CA 1.370 59.450 58.200 -0.199 0.000 0.983 46 S CB -0.760 62.343 63.200 -0.160 0.000 0.803 46 S HN 0.471 nan 8.310 nan 0.000 0.480 47 L N 0.612 121.777 121.223 -0.096 0.000 2.046 47 L HA -0.046 4.193 4.340 -0.168 0.000 0.208 47 L C 3.089 179.928 176.870 -0.053 0.000 1.077 47 L CA 1.580 56.383 54.840 -0.062 0.000 0.747 47 L CB -0.501 41.533 42.059 -0.040 0.000 0.896 47 L HN 0.294 nan 8.230 nan 0.000 0.432 48 R N 0.470 120.934 120.500 -0.059 0.000 2.075 48 R HA -0.146 4.093 4.340 -0.168 0.000 0.232 48 R C 2.272 178.536 176.300 -0.060 0.000 1.126 48 R CA 1.504 57.583 56.100 -0.035 0.000 0.963 48 R CB -0.411 29.875 30.300 -0.023 0.000 0.858 48 R HN 0.359 nan 8.270 nan 0.000 0.435 49 Q N 0.076 119.765 119.800 -0.185 0.000 2.112 49 Q HA -0.249 3.990 4.340 -0.168 0.000 0.206 49 Q C 2.013 177.953 176.000 -0.100 0.000 0.987 49 Q CA 2.148 57.761 55.803 -0.315 0.000 0.858 49 Q CB -0.239 28.008 28.738 -0.818 0.000 0.905 49 Q HN 0.320 nan 8.270 nan 0.000 0.420 50 K N 1.111 121.462 120.400 -0.082 0.000 2.026 50 K HA -0.177 4.042 4.320 -0.168 0.000 0.208 50 K C 1.878 178.551 176.600 0.123 0.000 1.048 50 K CA 1.309 57.614 56.287 0.030 0.000 0.929 50 K CB 0.099 32.599 32.500 -0.000 0.000 0.713 50 K HN 0.033 nan 8.250 nan 0.000 0.439 51 K N 0.336 120.797 120.400 0.102 0.000 2.097 51 K HA -0.105 4.114 4.320 -0.168 0.000 0.206 51 K C 1.906 178.688 176.600 0.303 0.000 1.049 51 K CA 1.611 57.996 56.287 0.163 0.000 0.933 51 K CB -0.038 32.526 32.500 0.107 0.000 0.717 51 K HN 0.233 nan 8.250 nan 0.000 0.442 52 V N -1.427 118.637 119.914 0.250 0.000 3.623 52 V HA 0.051 4.070 4.120 -0.168 0.000 0.271 52 V C 0.383 176.601 176.094 0.206 0.000 1.248 52 V CA 0.266 62.735 62.300 0.283 0.000 1.156 52 V CB -0.059 31.878 31.823 0.189 0.000 0.870 52 V HN -0.038 nan 8.190 nan 0.000 0.453 53 T N 4.253 118.980 114.554 0.289 0.000 2.770 53 T HA 0.733 4.982 4.350 -0.168 0.000 0.297 53 T C -0.785 174.068 174.700 0.255 0.000 0.997 53 T CA -0.059 62.196 62.100 0.259 0.000 0.949 53 T CB 0.454 69.604 68.868 0.470 0.000 0.941 53 T HN 0.624 nan 8.240 nan 0.000 0.457 54 F N -0.153 119.893 119.950 0.160 0.000 2.773 54 F HA 0.640 5.066 4.527 -0.169 0.000 0.314 54 F C -1.173 174.651 175.800 0.039 0.000 1.160 54 F CA -1.690 56.366 58.000 0.093 0.000 0.920 54 F CB 0.604 39.647 39.000 0.071 0.000 1.323 54 F HN 0.217 nan 8.300 nan 0.000 0.457 55 D N 0.940 121.532 120.400 0.320 0.000 2.304 55 D HA 0.416 4.955 4.640 -0.168 0.000 0.250 55 D C -0.793 175.628 176.300 0.203 0.000 1.107 55 D CA 0.018 54.127 54.000 0.181 0.000 0.885 55 D CB 0.905 41.806 40.800 0.168 0.000 1.192 55 D HN 0.576 nan 8.370 nan 0.000 0.436 56 R N 2.395 122.905 120.500 0.016 0.000 2.393 56 R HA 0.552 4.792 4.340 -0.168 0.000 0.310 56 R C -0.896 175.443 176.300 0.066 0.000 0.968 56 R CA -0.693 55.407 56.100 0.001 0.000 0.867 56 R CB 0.978 31.130 30.300 -0.247 0.000 1.124 56 R HN 0.295 nan 8.270 nan 0.000 0.450 57 L N 2.208 123.473 121.223 0.071 0.000 2.341 57 L HA 0.499 4.738 4.340 -0.168 0.000 0.278 57 L C -0.577 176.322 176.870 0.049 0.000 1.005 57 L CA -0.148 54.733 54.840 0.068 0.000 0.818 57 L CB 1.663 43.749 42.059 0.044 0.000 1.259 57 L HN 0.572 nan 8.230 nan 0.000 0.418 58 Q N 2.363 122.191 119.800 0.047 0.000 2.271 58 Q HA 0.748 4.987 4.340 -0.168 0.000 0.268 58 Q C -2.021 173.976 176.000 -0.005 0.000 1.021 58 Q CA -0.439 55.376 55.803 0.020 0.000 0.802 58 Q CB 2.467 31.214 28.738 0.015 0.000 1.282 58 Q HN 0.441 nan 8.270 nan 0.000 0.431 59 V N 5.228 125.140 119.914 -0.003 0.000 2.577 59 V HA 0.487 4.506 4.120 -0.168 0.000 0.303 59 V C -0.633 175.471 176.094 0.015 0.000 1.042 59 V CA -0.639 61.654 62.300 -0.012 0.000 0.872 59 V CB 1.702 33.521 31.823 -0.007 0.000 0.998 59 V HN 0.736 nan 8.190 nan 0.000 0.423 60 L N 4.914 126.097 121.223 -0.068 0.000 2.325 60 L HA 0.755 4.994 4.340 -0.168 0.000 0.278 60 L C -0.427 176.450 176.870 0.011 0.000 1.023 60 L CA -0.520 54.234 54.840 -0.144 0.000 0.811 60 L CB 1.903 43.687 42.059 -0.459 0.000 1.249 60 L HN 0.788 nan 8.230 nan 0.000 0.431 61 D N -0.811 119.664 120.400 0.124 0.000 2.727 61 D HA 0.199 4.738 4.640 -0.168 0.000 0.264 61 D C 0.114 176.466 176.300 0.086 0.000 1.101 61 D CA -0.604 53.460 54.000 0.107 0.000 1.122 61 D CB 0.656 41.539 40.800 0.138 0.000 1.390 61 D HN 0.269 nan 8.370 nan 0.000 0.606 62 D N -1.234 119.154 120.400 -0.021 0.000 2.144 62 D HA -0.143 4.396 4.640 -0.168 0.000 0.199 62 D C 1.727 178.007 176.300 -0.033 0.000 0.984 62 D CA 1.218 55.178 54.000 -0.067 0.000 0.834 62 D CB -0.199 40.506 40.800 -0.158 0.000 0.955 62 D HN 0.397 nan 8.370 nan 0.000 0.465 63 H N -0.764 118.368 119.070 0.102 0.000 2.353 63 H HA -0.142 4.313 4.556 -0.168 0.000 0.300 63 H C 2.007 177.356 175.328 0.036 0.000 1.090 63 H CA 1.035 57.132 56.048 0.083 0.000 1.327 63 H CB -0.764 29.077 29.762 0.131 0.000 1.383 63 H HN 0.319 nan 8.280 nan 0.000 0.508 64 Y N 2.054 122.361 120.300 0.013 0.000 2.097 64 Y HA -0.241 4.209 4.550 -0.168 0.000 0.282 64 Y C 2.665 178.496 175.900 -0.114 0.000 1.152 64 Y CA 1.701 59.671 58.100 -0.216 0.000 1.136 64 Y CB -0.046 38.138 38.460 -0.461 0.000 0.975 64 Y HN -0.036 nan 8.280 nan 0.000 0.498 65 R N 0.033 120.605 120.500 0.120 0.000 2.092 65 R HA -0.141 4.098 4.340 -0.168 0.000 0.231 65 R C 1.749 178.030 176.300 -0.031 0.000 1.119 65 R CA 1.393 57.522 56.100 0.048 0.000 0.970 65 R CB -0.306 30.048 30.300 0.090 0.000 0.864 65 R HN 0.397 nan 8.270 nan 0.000 0.440 66 D N 0.163 120.559 120.400 -0.008 0.000 2.097 66 D HA -0.117 4.422 4.640 -0.168 0.000 0.195 66 D C 1.977 178.258 176.300 -0.032 0.000 0.989 66 D CA 1.081 55.079 54.000 -0.002 0.000 0.827 66 D CB -0.214 40.612 40.800 0.043 0.000 0.966 66 D HN -0.026 nan 8.370 nan 0.000 0.456 67 V N 1.116 120.989 119.914 -0.070 0.000 2.343 67 V HA -0.207 3.812 4.120 -0.168 0.000 0.247 67 V C 2.463 178.486 176.094 -0.119 0.000 1.051 67 V CA 1.018 63.262 62.300 -0.092 0.000 1.036 67 V CB -0.458 31.272 31.823 -0.156 0.000 0.654 67 V HN 0.141 nan 8.190 nan 0.000 0.451 68 L N 0.344 121.430 121.223 -0.228 0.000 2.012 68 L HA -0.196 4.043 4.340 -0.168 0.000 0.210 68 L C 2.388 179.200 176.870 -0.097 0.000 1.073 68 L CA 2.008 56.722 54.840 -0.210 0.000 0.748 68 L CB -0.816 41.068 42.059 -0.291 0.000 0.891 68 L HN 0.229 nan 8.230 nan 0.000 0.431 69 K N -0.503 119.856 120.400 -0.067 0.000 2.063 69 K HA -0.208 4.011 4.320 -0.168 0.000 0.208 69 K C 1.967 178.554 176.600 -0.020 0.000 1.048 69 K CA 1.977 58.245 56.287 -0.032 0.000 0.928 69 K CB -0.194 32.296 32.500 -0.018 0.000 0.713 69 K HN 0.502 nan 8.250 nan 0.000 0.442 70 E N 0.426 120.618 120.200 -0.014 0.000 2.077 70 E HA -0.167 4.082 4.350 -0.168 0.000 0.193 70 E C 2.058 178.661 176.600 0.004 0.000 0.989 70 E CA 1.268 57.671 56.400 0.004 0.000 0.800 70 E CB -0.057 29.657 29.700 0.022 0.000 0.746 70 E HN 0.279 nan 8.360 nan 0.000 0.452 71 M N 0.617 120.217 119.600 0.000 0.000 2.117 71 M HA -0.177 4.202 4.480 -0.168 0.000 0.262 71 M C 2.146 178.430 176.300 -0.026 0.000 1.065 71 M CA 1.497 56.792 55.300 -0.008 0.000 1.114 71 M CB -0.161 32.435 32.600 -0.008 0.000 1.361 71 M HN -0.054 nan 8.290 nan 0.000 0.408 72 K N 0.368 120.750 120.400 -0.030 0.000 2.057 72 K HA -0.112 4.107 4.320 -0.168 0.000 0.207 72 K C 2.121 178.713 176.600 -0.014 0.000 1.049 72 K CA 1.493 57.765 56.287 -0.025 0.000 0.931 72 K CB -0.336 32.148 32.500 -0.026 0.000 0.714 72 K HN 0.307 nan 8.250 nan 0.000 0.440 73 A N 1.886 124.699 122.820 -0.010 0.000 1.908 73 A HA -0.217 4.002 4.320 -0.168 0.000 0.218 73 A C 1.900 179.480 177.584 -0.007 0.000 1.181 73 A CA 1.625 53.659 52.037 -0.005 0.000 0.627 73 A CB -0.293 18.706 19.000 -0.001 0.000 0.818 73 A HN 0.203 nan 8.150 nan 0.000 0.445 74 K N -0.487 119.907 120.400 -0.011 0.000 2.097 74 K HA 0.027 4.246 4.320 -0.168 0.000 0.205 74 K C 2.268 178.855 176.600 -0.022 0.000 1.050 74 K CA 0.946 57.223 56.287 -0.018 0.000 0.938 74 K CB -0.291 32.193 32.500 -0.026 0.000 0.718 74 K HN 0.428 nan 8.250 nan 0.000 0.442 75 A N 1.570 124.377 122.820 -0.022 0.000 1.972 75 A HA -0.162 4.057 4.320 -0.168 0.000 0.219 75 A C 2.089 179.672 177.584 -0.001 0.000 1.169 75 A CA 2.005 54.034 52.037 -0.013 0.000 0.635 75 A CB -0.589 18.408 19.000 -0.005 0.000 0.810 75 A HN 0.389 nan 8.150 nan 0.000 0.446 76 S N -0.383 115.316 115.700 -0.001 0.000 2.555 76 S HA -0.083 4.286 4.470 -0.168 0.000 0.230 76 S C 1.487 176.088 174.600 0.001 0.000 0.978 76 S CA 1.466 59.668 58.200 0.003 0.000 0.934 76 S CB -1.021 62.181 63.200 0.003 0.000 0.766 76 S HN 0.777 nan 8.310 nan 0.000 0.533 77 T N -0.788 113.764 114.554 -0.004 0.000 3.144 77 T HA 0.372 4.621 4.350 -0.168 0.000 0.249 77 T C 0.266 174.961 174.700 -0.008 0.000 1.089 77 T CA -0.351 61.746 62.100 -0.005 0.000 0.989 77 T CB -0.271 68.593 68.868 -0.008 0.000 0.992 77 T HN 0.161 nan 8.240 nan 0.000 0.540 78 V N 1.476 121.386 119.914 -0.007 0.000 2.532 78 V HA 0.520 4.540 4.120 -0.168 0.000 0.295 78 V C -0.068 176.026 176.094 0.000 0.000 1.041 78 V CA -1.057 61.237 62.300 -0.009 0.000 0.926 78 V CB 1.719 33.534 31.823 -0.014 0.000 0.992 78 V HN 0.341 nan 8.190 nan 0.000 0.457 79 K N 2.660 123.059 120.400 -0.002 0.000 2.324 79 K HA 0.836 5.055 4.320 -0.168 0.000 0.253 79 K C -0.920 175.682 176.600 0.002 0.000 0.932 79 K CA -0.460 55.829 56.287 0.004 0.000 0.799 79 K CB 1.930 34.433 32.500 0.005 0.000 1.154 79 K HN 0.879 nan 8.250 nan 0.000 0.425 80 A N 3.278 126.103 122.820 0.009 0.000 2.475 80 A HA 0.539 4.758 4.320 -0.168 0.000 0.301 80 A C -1.531 176.065 177.584 0.020 0.000 1.059 80 A CA -0.977 51.065 52.037 0.008 0.000 0.710 80 A CB 1.213 20.211 19.000 -0.003 0.000 1.288 80 A HN 0.813 nan 8.150 nan 0.000 0.408 81 K N 1.313 121.727 120.400 0.023 0.000 2.166 81 K HA 0.795 5.014 4.320 -0.168 0.000 0.245 81 K C -1.028 175.592 176.600 0.033 0.000 0.967 81 K CA -0.702 55.600 56.287 0.026 0.000 0.863 81 K CB 1.235 33.745 32.500 0.018 0.000 1.107 81 K HN 0.489 nan 8.250 nan 0.000 0.436 82 L N 2.043 123.282 121.223 0.027 0.000 2.426 82 L HA 0.119 4.358 4.340 -0.168 0.000 0.271 82 L C -0.233 176.616 176.870 -0.036 0.000 1.169 82 L CA -0.800 54.043 54.840 0.005 0.000 0.836 82 L CB 0.298 42.353 42.059 -0.007 0.000 1.112 82 L HN 0.472 nan 8.230 nan 0.000 0.465 83 L N 2.428 123.615 121.223 -0.060 0.000 2.371 83 L HA 0.212 4.451 4.340 -0.168 0.000 0.272 83 L C 0.601 177.364 176.870 -0.179 0.000 1.124 83 L CA 0.444 55.229 54.840 -0.092 0.000 0.816 83 L CB 1.495 43.507 42.059 -0.079 0.000 1.129 83 L HN 0.742 nan 8.230 nan 0.000 0.448 84 S N 1.669 117.276 115.700 -0.156 0.000 2.589 84 S HA 0.163 4.532 4.470 -0.168 0.000 0.265 84 S C 1.347 175.819 174.600 -0.214 0.000 1.342 84 S CA -0.636 57.451 58.200 -0.188 0.000 1.005 84 S CB 0.735 63.855 63.200 -0.133 0.000 0.909 84 S HN 0.342 nan 8.310 nan 0.000 0.555 85 V N 1.713 121.489 119.914 -0.230 0.000 2.324 85 V HA -0.187 3.832 4.120 -0.168 0.000 0.250 85 V C 2.619 178.619 176.094 -0.156 0.000 1.060 85 V CA 2.457 64.632 62.300 -0.208 0.000 1.042 85 V CB -1.399 30.313 31.823 -0.184 0.000 0.650 85 V HN 0.868 nan 8.190 nan 0.000 0.450 86 E N 0.116 120.236 120.200 -0.135 0.000 2.047 86 E HA -0.181 4.069 4.350 -0.168 0.000 0.191 86 E C 2.206 178.735 176.600 -0.119 0.000 0.987 86 E CA 1.308 57.641 56.400 -0.113 0.000 0.799 86 E CB -0.297 29.346 29.700 -0.094 0.000 0.752 86 E HN 0.673 nan 8.360 nan 0.000 0.449 87 E N 0.396 120.521 120.200 -0.125 0.000 2.058 87 E HA -0.230 4.019 4.350 -0.168 0.000 0.194 87 E C 2.058 178.547 176.600 -0.185 0.000 0.997 87 E CA 1.169 57.486 56.400 -0.139 0.000 0.801 87 E CB -0.217 29.410 29.700 -0.122 0.000 0.746 87 E HN 0.289 nan 8.360 nan 0.000 0.450 88 A N 0.681 123.393 122.820 -0.181 0.000 1.898 88 A HA -0.185 4.034 4.320 -0.168 0.000 0.216 88 A C 2.431 179.917 177.584 -0.163 0.000 1.181 88 A CA 1.161 53.084 52.037 -0.189 0.000 0.620 88 A CB -0.855 18.053 19.000 -0.154 0.000 0.819 88 A HN 0.372 nan 8.150 nan 0.000 0.442 89 C N -0.173 119.047 119.300 -0.135 0.000 2.413 89 C HA -0.081 4.278 4.460 -0.168 0.000 0.276 89 C C 2.517 177.430 174.990 -0.128 0.000 1.236 89 C CA 1.304 60.255 59.018 -0.112 0.000 1.735 89 C CB -0.741 26.939 27.740 -0.099 0.000 2.031 89 C HN 0.480 nan 8.230 nan 0.000 0.474 90 K N 0.763 121.081 120.400 -0.137 0.000 2.439 90 K HA 0.110 4.330 4.320 -0.168 0.000 0.197 90 K C 1.371 177.872 176.600 -0.164 0.000 1.041 90 K CA 0.718 56.928 56.287 -0.129 0.000 0.970 90 K CB -0.365 32.070 32.500 -0.108 0.000 0.773 90 K HN 0.547 nan 8.250 nan 0.000 0.479 91 L N 0.853 121.931 121.223 -0.241 0.000 2.591 91 L HA 0.030 4.269 4.340 -0.168 0.000 0.228 91 L C 0.260 177.003 176.870 -0.211 0.000 1.133 91 L CA 0.158 54.801 54.840 -0.328 0.000 0.880 91 L CB -0.073 41.676 42.059 -0.517 0.000 1.033 91 L HN -0.127 nan 8.230 nan 0.000 0.450 92 T N 1.931 116.381 114.554 -0.174 0.000 2.761 92 T HA 0.218 4.467 4.350 -0.168 0.000 0.296 92 T C -2.306 172.225 174.700 -0.282 0.000 0.934 92 T CA -1.180 60.820 62.100 -0.167 0.000 1.091 92 T CB 0.865 69.655 68.868 -0.130 0.000 0.896 92 T HN -0.135 nan 8.240 nan 0.000 0.515 93 P HA 0.123 nan 4.420 nan 0.000 0.267 93 P C -1.875 175.093 177.300 -0.553 0.000 1.200 93 P CA -1.403 61.362 63.100 -0.558 0.000 0.772 93 P CB 0.133 31.699 31.700 -0.224 0.000 0.855 94 P HA -0.116 nan 4.420 nan 0.000 0.220 94 P C 0.274 177.207 177.300 -0.611 0.000 1.148 94 P CA 1.645 64.355 63.100 -0.650 0.000 0.803 94 P CB -0.186 31.064 31.700 -0.750 0.000 0.782 95 H N -2.198 116.760 119.070 -0.185 0.000 2.487 95 H HA 0.285 4.739 4.556 -0.169 0.000 0.290 95 H C 0.495 175.753 175.328 -0.118 0.000 1.081 95 H CA -0.343 55.636 56.048 -0.115 0.000 1.116 95 H CB -0.096 29.618 29.762 -0.081 0.000 1.560 95 H HN -0.035 nan 8.280 nan 0.000 0.548 96 S N 1.364 117.012 115.700 -0.088 0.000 2.558 96 S HA 0.312 4.681 4.470 -0.168 0.000 0.288 96 S C 0.772 175.331 174.600 -0.068 0.000 1.318 96 S CA -0.513 57.631 58.200 -0.094 0.000 1.056 96 S CB 0.165 63.302 63.200 -0.106 0.000 0.853 96 S HN 0.540 nan 8.310 nan 0.000 0.505 97 A N 4.799 127.565 122.820 -0.089 0.000 2.546 97 A HA 0.255 4.474 4.320 -0.168 0.000 0.243 97 A C 0.707 178.285 177.584 -0.009 0.000 1.063 97 A CA -0.115 51.901 52.037 -0.036 0.000 0.757 97 A CB -0.117 18.870 19.000 -0.021 0.000 0.991 97 A HN 0.938 nan 8.150 nan 0.000 0.503 98 R N 2.208 122.695 120.500 -0.022 0.000 2.738 98 R HA 0.386 4.625 4.340 -0.168 0.000 0.268 98 R C 0.322 176.538 176.300 -0.140 0.000 1.062 98 R CA 0.213 56.263 56.100 -0.082 0.000 1.158 98 R CB 0.344 30.598 30.300 -0.077 0.000 1.046 98 R HN 0.525 nan 8.270 nan 0.000 0.493 99 S N -0.044 115.448 115.700 -0.346 0.000 2.576 99 S HA 0.066 4.435 4.470 -0.168 0.000 0.276 99 S C 0.685 175.078 174.600 -0.345 0.000 1.339 99 S CA -0.545 57.406 58.200 -0.415 0.000 1.039 99 S CB 0.825 63.402 63.200 -1.039 0.000 0.902 99 S HN 0.719 nan 8.310 nan 0.000 0.516 100 K N 2.440 122.633 120.400 -0.345 0.000 2.362 100 K HA -0.015 4.204 4.320 -0.168 0.000 0.200 100 K C -0.002 176.198 176.600 -0.668 0.000 1.046 100 K CA 1.177 57.142 56.287 -0.538 0.000 0.952 100 K CB -0.133 31.923 32.500 -0.741 0.000 0.753 100 K HN 0.627 nan 8.250 nan 0.000 0.466 101 F N 0.217 119.994 119.950 -0.289 0.000 2.916 101 F HA 0.273 4.699 4.527 -0.169 0.000 0.294 101 F C 0.992 176.706 175.800 -0.143 0.000 1.189 101 F CA -0.357 57.491 58.000 -0.253 0.000 1.369 101 F CB 0.683 39.393 39.000 -0.484 0.000 0.961 101 F HN 0.053 nan 8.300 nan 0.000 0.508 102 G N 0.403 109.176 108.800 -0.046 0.000 2.130 102 G HA2 -0.264 3.595 3.960 -0.168 0.000 0.216 102 G HA3 -0.264 3.595 3.960 -0.168 0.000 0.216 102 G C -0.375 174.623 174.900 0.164 0.000 0.999 102 G CA 0.040 45.176 45.100 0.060 0.000 0.686 102 G HN 0.586 nan 8.290 nan 0.000 0.515 103 Y N -2.726 117.570 120.300 -0.007 0.000 2.656 103 Y HA 0.757 5.206 4.550 -0.169 0.000 0.334 103 Y C 0.338 176.239 175.900 0.002 0.000 1.179 103 Y CA -0.982 57.118 58.100 -0.001 0.000 1.050 103 Y CB 0.527 38.990 38.460 0.006 0.000 1.308 103 Y HN 0.722 nan 8.280 nan 0.000 0.456 104 G N -0.233 108.650 108.800 0.137 0.000 3.108 104 G HA2 0.545 4.405 3.960 -0.168 0.000 0.268 104 G HA3 0.545 4.405 3.960 -0.168 0.000 0.268 104 G C 0.194 175.151 174.900 0.094 0.000 1.361 104 G CA -0.770 44.353 45.100 0.038 0.000 1.047 104 G HN 1.211 nan 8.290 nan 0.000 0.540 105 A N -0.477 122.345 122.820 0.004 0.000 1.933 105 A HA -0.004 4.215 4.320 -0.168 0.000 0.218 105 A C 2.163 179.707 177.584 -0.068 0.000 1.175 105 A CA 1.994 54.006 52.037 -0.041 0.000 0.628 105 A CB -0.368 18.558 19.000 -0.123 0.000 0.814 105 A HN 0.575 nan 8.150 nan 0.000 0.444 106 K N -0.229 120.129 120.400 -0.069 0.000 2.103 106 K HA -0.095 4.124 4.320 -0.168 0.000 0.204 106 K C 1.424 178.001 176.600 -0.038 0.000 1.052 106 K CA 1.288 57.527 56.287 -0.080 0.000 0.945 106 K CB -0.141 32.314 32.500 -0.076 0.000 0.722 106 K HN 0.430 nan 8.250 nan 0.000 0.443 107 D N 0.491 120.898 120.400 0.012 0.000 2.117 107 D HA -0.140 4.399 4.640 -0.168 0.000 0.197 107 D C 1.967 178.260 176.300 -0.012 0.000 0.987 107 D CA 1.062 55.074 54.000 0.019 0.000 0.829 107 D CB -0.172 40.680 40.800 0.088 0.000 0.961 107 D HN -0.046 nan 8.370 nan 0.000 0.460 108 V N 1.338 121.266 119.914 0.024 0.000 2.295 108 V HA -0.224 3.795 4.120 -0.168 0.000 0.246 108 V C 2.520 178.580 176.094 -0.058 0.000 1.049 108 V CA 1.553 63.846 62.300 -0.012 0.000 1.024 108 V CB -0.376 31.475 31.823 0.048 0.000 0.648 108 V HN 0.123 nan 8.190 nan 0.000 0.447 109 R N 0.396 120.852 120.500 -0.074 0.000 2.120 109 R HA -0.098 4.141 4.340 -0.168 0.000 0.234 109 R C 1.722 177.977 176.300 -0.076 0.000 1.123 109 R CA 1.368 57.410 56.100 -0.096 0.000 0.975 109 R CB -0.343 29.875 30.300 -0.137 0.000 0.866 109 R HN 0.506 nan 8.270 nan 0.000 0.446 110 N N 0.846 119.507 118.700 -0.064 0.000 2.461 110 N HA 0.062 4.701 4.740 -0.168 0.000 0.188 110 N C 0.135 175.611 175.510 -0.056 0.000 1.134 110 N CA 0.279 53.297 53.050 -0.054 0.000 0.878 110 N CB 0.175 38.636 38.487 -0.044 0.000 0.972 110 N HN 0.144 nan 8.380 nan 0.000 0.456 111 L N 0.574 121.756 121.223 -0.067 0.000 3.634 111 L HA -0.223 4.016 4.340 -0.168 0.000 0.423 111 L C 0.082 176.907 176.870 -0.075 0.000 1.253 111 L CA 0.008 54.803 54.840 -0.075 0.000 0.885 111 L CB -2.617 39.400 42.059 -0.069 0.000 1.789 111 L HN 0.174 nan 8.230 nan 0.000 0.904 112 S N -1.109 114.545 115.700 -0.077 0.000 2.562 112 S HA 0.276 4.645 4.470 -0.168 0.000 0.281 112 S C 1.481 176.024 174.600 -0.095 0.000 1.333 112 S CA -0.088 58.069 58.200 -0.072 0.000 1.052 112 S CB 1.797 64.962 63.200 -0.059 0.000 0.884 112 S HN 0.505 nan 8.310 nan 0.000 0.506 113 S N 2.811 118.467 115.700 -0.072 0.000 2.383 113 S HA -0.235 4.134 4.470 -0.168 0.000 0.229 113 S C 1.719 176.264 174.600 -0.091 0.000 1.030 113 S CA 1.238 59.395 58.200 -0.071 0.000 1.002 113 S CB -0.657 62.516 63.200 -0.045 0.000 0.829 113 S HN 0.866 nan 8.310 nan 0.000 0.467 114 K N 1.679 122.023 120.400 -0.093 0.000 2.026 114 K HA -0.035 4.184 4.320 -0.168 0.000 0.208 114 K C 2.376 178.814 176.600 -0.271 0.000 1.048 114 K CA 1.259 57.482 56.287 -0.106 0.000 0.929 114 K CB -0.719 31.753 32.500 -0.047 0.000 0.713 114 K HN 0.444 nan 8.250 nan 0.000 0.439 115 A N 0.574 123.125 122.820 -0.448 0.000 1.858 115 A HA -0.118 4.101 4.320 -0.168 0.000 0.216 115 A C 2.271 179.580 177.584 -0.458 0.000 1.190 115 A CA 1.780 53.284 52.037 -0.888 0.000 0.617 115 A CB -0.768 17.859 19.000 -0.621 0.000 0.827 115 A HN 0.186 nan 8.150 nan 0.000 0.443 116 V N 1.089 120.853 119.914 -0.250 0.000 2.343 116 V HA -0.261 3.758 4.120 -0.168 0.000 0.247 116 V C 2.301 178.325 176.094 -0.117 0.000 1.051 116 V CA 2.120 64.328 62.300 -0.154 0.000 1.036 116 V CB -1.008 30.744 31.823 -0.119 0.000 0.654 116 V HN 0.550 nan 8.190 nan 0.000 0.451 117 N N -0.252 118.388 118.700 -0.101 0.000 2.120 117 N HA -0.194 4.445 4.740 -0.168 0.000 0.188 117 N C 1.854 177.343 175.510 -0.035 0.000 1.024 117 N CA 1.878 54.895 53.050 -0.056 0.000 0.852 117 N CB -0.511 37.956 38.487 -0.034 0.000 1.003 117 N HN 0.698 nan 8.380 nan 0.000 0.424 118 H N 0.778 119.771 119.070 -0.129 0.000 2.321 118 H HA 0.114 4.568 4.556 -0.169 0.000 0.300 118 H C 2.089 177.390 175.328 -0.046 0.000 1.087 118 H CA 1.358 57.361 56.048 -0.077 0.000 1.319 118 H CB -0.280 29.482 29.762 0.001 0.000 1.379 118 H HN 0.106 nan 8.280 nan 0.000 0.501 119 I N 0.154 120.679 120.570 -0.074 0.000 2.208 119 I HA -0.288 3.781 4.170 -0.168 0.000 0.245 119 I C 2.593 178.676 176.117 -0.055 0.000 1.097 119 I CA 1.378 62.642 61.300 -0.059 0.000 1.363 119 I CB -0.274 37.711 38.000 -0.026 0.000 1.051 119 I HN 0.271 nan 8.210 nan 0.000 0.413 120 R N 0.488 120.952 120.500 -0.060 0.000 2.091 120 R HA -0.166 4.073 4.340 -0.168 0.000 0.238 120 R C 2.592 178.897 176.300 0.009 0.000 1.136 120 R CA 1.891 57.986 56.100 -0.008 0.000 0.959 120 R CB -0.547 29.735 30.300 -0.031 0.000 0.856 120 R HN 0.510 nan 8.270 nan 0.000 0.437 121 S N 0.362 116.009 115.700 -0.089 0.000 2.383 121 S HA -0.088 4.281 4.470 -0.168 0.000 0.227 121 S C 2.167 176.673 174.600 -0.156 0.000 1.026 121 S CA 1.249 59.376 58.200 -0.120 0.000 0.981 121 S CB -0.510 62.595 63.200 -0.159 0.000 0.818 121 S HN 0.062 nan 8.310 nan 0.000 0.472 122 V N 0.971 120.736 119.914 -0.247 0.000 2.343 122 V HA -0.135 3.884 4.120 -0.168 0.000 0.247 122 V C 2.243 178.319 176.094 -0.030 0.000 1.051 122 V CA 1.835 64.020 62.300 -0.192 0.000 1.036 122 V CB -1.110 30.580 31.823 -0.222 0.000 0.654 122 V HN 0.711 nan 8.190 nan 0.000 0.451 123 W N 1.465 122.684 121.300 -0.134 0.000 2.333 123 W HA -0.281 4.279 4.660 -0.166 0.000 0.316 123 W C 2.558 179.030 176.519 -0.078 0.000 1.215 123 W CA 2.436 59.728 57.345 -0.087 0.000 1.278 123 W CB -0.157 29.260 29.460 -0.072 0.000 1.154 123 W HN 0.244 nan 8.180 nan 0.000 0.486 124 K N 0.581 120.996 120.400 0.024 0.000 2.103 124 K HA -0.274 3.945 4.320 -0.168 0.000 0.207 124 K C 1.749 178.260 176.600 -0.149 0.000 1.048 124 K CA 2.297 58.540 56.287 -0.073 0.000 0.930 124 K CB -0.612 31.889 32.500 0.002 0.000 0.716 124 K HN 0.053 nan 8.250 nan 0.000 0.444 125 D N 0.074 120.395 120.400 -0.133 0.000 2.144 125 D HA -0.130 4.409 4.640 -0.168 0.000 0.200 125 D C 1.906 178.102 176.300 -0.174 0.000 0.978 125 D CA 0.900 54.820 54.000 -0.133 0.000 0.833 125 D CB 0.095 40.825 40.800 -0.117 0.000 0.961 125 D HN 0.222 nan 8.370 nan 0.000 0.470 126 L N -0.017 121.061 121.223 -0.241 0.000 2.083 126 L HA -0.130 4.109 4.340 -0.168 0.000 0.209 126 L C 2.424 179.090 176.870 -0.340 0.000 1.083 126 L CA 0.634 55.295 54.840 -0.300 0.000 0.752 126 L CB -0.345 41.477 42.059 -0.396 0.000 0.899 126 L HN 0.229 nan 8.230 nan 0.000 0.433 127 L N -0.739 120.234 121.223 -0.415 0.000 2.093 127 L HA -0.173 4.066 4.340 -0.168 0.000 0.208 127 L C 2.238 178.992 176.870 -0.192 0.000 1.085 127 L CA 1.288 55.928 54.840 -0.334 0.000 0.755 127 L CB -0.350 41.507 42.059 -0.337 0.000 0.904 127 L HN 0.318 nan 8.230 nan 0.000 0.435 128 E N -1.229 118.876 120.200 -0.159 0.000 2.276 128 E HA -0.042 4.207 4.350 -0.168 0.000 0.193 128 E C 0.121 176.667 176.600 -0.090 0.000 0.983 128 E CA 0.093 56.431 56.400 -0.104 0.000 0.861 128 E CB 0.443 30.093 29.700 -0.084 0.000 0.817 128 E HN 0.162 nan 8.360 nan 0.000 0.485 129 D N 0.255 120.594 120.400 -0.102 0.000 2.481 129 D HA 0.056 4.595 4.640 -0.168 0.000 0.246 129 D C 0.110 176.355 176.300 -0.091 0.000 1.109 129 D CA -0.286 53.666 54.000 -0.082 0.000 0.845 129 D CB 1.492 42.250 40.800 -0.071 0.000 1.160 129 D HN -0.048 nan 8.370 nan 0.000 0.534 130 T N 0.105 114.614 114.554 -0.074 0.000 3.134 130 T HA 0.209 4.458 4.350 -0.168 0.000 0.260 130 T C 0.932 175.600 174.700 -0.054 0.000 1.027 130 T CA -0.123 61.933 62.100 -0.073 0.000 0.913 130 T CB 0.422 69.253 68.868 -0.062 0.000 1.046 130 T HN 0.451 nan 8.240 nan 0.000 0.553 131 E N 0.998 121.171 120.200 -0.045 0.000 2.475 131 E HA 0.137 4.386 4.350 -0.168 0.000 0.205 131 E C -0.279 176.310 176.600 -0.018 0.000 0.822 131 E CA 0.055 56.438 56.400 -0.028 0.000 1.240 131 E CB 0.601 30.287 29.700 -0.023 0.000 1.222 131 E HN 0.307 nan 8.360 nan 0.000 0.581 132 T N 4.685 119.226 114.554 -0.021 0.000 2.784 132 T HA 0.148 4.397 4.350 -0.168 0.000 0.291 132 T C -2.543 172.156 174.700 -0.001 0.000 0.942 132 T CA -0.974 61.123 62.100 -0.005 0.000 1.161 132 T CB 0.857 69.721 68.868 -0.007 0.000 0.885 132 T HN 0.078 nan 8.240 nan 0.000 0.534 133 P HA 0.101 nan 4.420 nan 0.000 0.264 133 P C -0.189 177.113 177.300 0.004 0.000 1.183 133 P CA 0.025 63.140 63.100 0.025 0.000 0.763 133 P CB 0.328 32.083 31.700 0.093 0.000 0.807 134 I N 2.329 122.886 120.570 -0.023 0.000 2.396 134 I HA 0.151 4.220 4.170 -0.168 0.000 0.292 134 I C 0.944 177.049 176.117 -0.019 0.000 0.999 134 I CA -0.479 60.812 61.300 -0.015 0.000 1.310 134 I CB 0.813 38.795 38.000 -0.030 0.000 1.404 134 I HN 0.314 nan 8.210 nan 0.000 0.496 135 D N 4.248 124.653 120.400 0.008 0.000 2.399 135 D HA 0.203 4.743 4.640 -0.168 0.000 0.241 135 D C -0.331 175.943 176.300 -0.043 0.000 1.133 135 D CA 0.260 54.252 54.000 -0.013 0.000 0.890 135 D CB 0.843 41.653 40.800 0.015 0.000 1.201 135 D HN 0.623 nan 8.370 nan 0.000 0.432 136 T N -0.883 113.617 114.554 -0.090 0.000 2.906 136 T HA 0.600 4.849 4.350 -0.168 0.000 0.295 136 T C -0.367 174.195 174.700 -0.230 0.000 1.075 136 T CA -0.962 61.048 62.100 -0.151 0.000 1.005 136 T CB 1.495 70.297 68.868 -0.110 0.000 1.136 136 T HN 0.215 nan 8.240 nan 0.000 0.498 137 T N 2.203 116.474 114.554 -0.473 0.000 2.829 137 T HA 0.600 4.849 4.350 -0.168 0.000 0.282 137 T C -0.387 174.065 174.700 -0.414 0.000 0.990 137 T CA -0.602 61.188 62.100 -0.517 0.000 1.028 137 T CB 0.743 69.116 68.868 -0.825 0.000 0.951 137 T HN 0.725 nan 8.240 nan 0.000 0.460 138 I N 3.794 124.280 120.570 -0.140 0.000 2.404 138 I HA 0.543 4.612 4.170 -0.168 0.000 0.293 138 I C -1.091 175.067 176.117 0.068 0.000 0.992 138 I CA -0.833 60.477 61.300 0.017 0.000 1.149 138 I CB 0.792 38.849 38.000 0.094 0.000 1.315 138 I HN 0.404 nan 8.210 nan 0.000 0.446 139 M N 6.327 126.019 119.600 0.153 0.000 2.572 139 M HA 0.487 4.866 4.480 -0.168 0.000 0.299 139 M C -0.515 175.857 176.300 0.120 0.000 1.205 139 M CA -0.606 54.786 55.300 0.154 0.000 0.876 139 M CB 1.828 34.575 32.600 0.247 0.000 1.728 139 M HN 0.613 nan 8.290 nan 0.000 0.458 140 A N 2.593 125.462 122.820 0.081 0.000 2.362 140 A HA 0.422 4.642 4.320 -0.168 0.000 0.276 140 A C 0.044 177.671 177.584 0.072 0.000 1.153 140 A CA -0.314 51.762 52.037 0.066 0.000 0.813 140 A CB 0.126 19.151 19.000 0.043 0.000 1.081 140 A HN 0.757 nan 8.150 nan 0.000 0.507 141 K N 1.865 122.310 120.400 0.074 0.000 2.295 141 K HA 0.110 4.329 4.320 -0.168 0.000 0.270 141 K C -0.577 176.044 176.600 0.035 0.000 1.011 141 K CA 0.133 56.452 56.287 0.054 0.000 0.953 141 K CB 0.526 33.066 32.500 0.065 0.000 0.956 141 K HN 0.781 nan 8.250 nan 0.000 0.477 142 N N 2.575 121.268 118.700 -0.011 0.000 2.609 142 N HA 0.112 4.752 4.740 -0.168 0.000 0.234 142 N C -1.297 174.114 175.510 -0.166 0.000 1.001 142 N CA -0.334 52.679 53.050 -0.061 0.000 0.926 142 N CB 1.025 39.475 38.487 -0.062 0.000 1.130 142 N HN 0.388 nan 8.380 nan 0.000 0.510 143 E N 0.838 120.933 120.200 -0.174 0.000 2.288 143 E HA 0.447 4.697 4.350 -0.168 0.000 0.268 143 E C -0.901 175.316 176.600 -0.638 0.000 0.885 143 E CA -0.991 55.184 56.400 -0.376 0.000 0.767 143 E CB 2.600 32.149 29.700 -0.252 0.000 1.220 143 E HN 0.072 nan 8.360 nan 0.000 0.427 144 V N 3.107 122.466 119.914 -0.925 0.000 2.427 144 V HA 0.467 4.486 4.120 -0.168 0.000 0.286 144 V C -0.839 174.578 176.094 -1.128 0.000 1.034 144 V CA -0.241 61.519 62.300 -0.900 0.000 0.893 144 V CB 0.123 31.505 31.823 -0.735 0.000 0.982 144 V HN 0.504 nan 8.190 nan 0.000 0.452 145 F N 2.372 121.977 119.950 -0.575 0.000 2.650 145 F HA 0.601 5.028 4.527 -0.168 0.000 0.320 145 F C 0.054 175.643 175.800 -0.351 0.000 1.091 145 F CA -0.743 56.982 58.000 -0.459 0.000 0.962 145 F CB 1.367 40.069 39.000 -0.497 0.000 1.363 145 F HN 0.502 nan 8.300 nan 0.000 0.482 146 C N 2.950 122.332 119.300 0.136 0.000 2.358 146 C HA 0.806 5.165 4.460 -0.168 0.000 0.342 146 C C 0.388 175.582 174.990 0.339 0.000 1.234 146 C CA -0.581 58.559 59.018 0.203 0.000 1.969 146 C CB -0.119 27.697 27.740 0.127 0.000 2.346 146 C HN 0.736 nan 8.230 nan 0.000 0.525 155 K N 2.292 122.706 120.400 0.024 0.000 2.298 155 K HA 0.259 4.478 4.320 -0.168 0.000 0.280 155 K C -2.168 174.442 176.600 0.016 0.000 1.032 155 K CA -1.514 54.742 56.287 -0.051 0.000 0.958 155 K CB 0.496 32.827 32.500 -0.283 0.000 0.978 155 K HN 0.221 nan 8.250 nan 0.000 0.472 156 P HA 0.015 nan 4.420 nan 0.000 0.272 156 P C -0.801 176.525 177.300 0.045 0.000 1.230 156 P CA -0.375 62.735 63.100 0.017 0.000 0.788 156 P CB 0.486 32.183 31.700 -0.005 0.000 0.949 157 A N 2.599 125.459 122.820 0.066 0.000 2.498 157 A HA 0.096 4.315 4.320 -0.168 0.000 0.239 157 A C 0.548 178.175 177.584 0.072 0.000 1.068 157 A CA -0.026 52.064 52.037 0.088 0.000 0.766 157 A CB -0.269 18.774 19.000 0.072 0.000 1.003 157 A HN 0.435 nan 8.150 nan 0.000 0.497 158 R N 0.617 121.177 120.500 0.100 0.000 2.615 158 R HA 0.442 4.681 4.340 -0.168 0.000 0.270 158 R C -0.673 175.683 176.300 0.093 0.000 1.081 158 R CA -0.222 55.937 56.100 0.099 0.000 1.154 158 R CB 0.385 30.762 30.300 0.128 0.000 1.063 158 R HN 0.653 nan 8.270 nan 0.000 0.519 159 L N 2.268 123.549 121.223 0.098 0.000 2.331 159 L HA 0.525 4.765 4.340 -0.168 0.000 0.275 159 L C -0.456 176.504 176.870 0.150 0.000 1.022 159 L CA -1.031 53.872 54.840 0.105 0.000 0.812 159 L CB 1.510 43.614 42.059 0.076 0.000 1.257 159 L HN 0.436 nan 8.230 nan 0.000 0.435 160 I N 2.102 122.782 120.570 0.183 0.000 2.545 160 I HA 0.494 4.563 4.170 -0.168 0.000 0.292 160 I C -0.913 175.394 176.117 0.317 0.000 1.040 160 I CA -0.410 61.037 61.300 0.245 0.000 1.068 160 I CB 2.091 40.226 38.000 0.225 0.000 1.251 160 I HN 0.158 nan 8.210 nan 0.000 0.424 161 V N 8.541 128.643 119.914 0.313 0.000 2.444 161 V HA 0.600 4.619 4.120 -0.168 0.000 0.294 161 V C -0.870 175.414 176.094 0.318 0.000 1.022 161 V CA -0.488 61.955 62.300 0.239 0.000 0.850 161 V CB 1.053 32.991 31.823 0.191 0.000 0.992 161 V HN 0.576 nan 8.190 nan 0.000 0.426 162 F N 5.002 125.005 119.950 0.088 0.000 2.619 162 F HA 0.936 5.363 4.527 -0.167 0.000 0.308 162 F C -3.090 172.757 175.800 0.078 0.000 1.097 162 F CA -2.723 55.330 58.000 0.087 0.000 0.953 162 F CB 1.683 40.730 39.000 0.077 0.000 1.287 162 F HN 0.294 nan 8.300 nan 0.000 0.446 163 P HA 0.185 nan 4.420 nan 0.000 0.279 163 P C -1.022 176.397 177.300 0.199 0.000 1.276 163 P CA -0.144 63.024 63.100 0.113 0.000 0.801 163 P CB 1.110 32.890 31.700 0.133 0.000 1.127 164 D N -0.785 119.718 120.400 0.171 0.000 2.400 164 D HA -0.048 4.491 4.640 -0.168 0.000 0.238 164 D C 1.364 177.802 176.300 0.231 0.000 1.157 164 D CA -0.297 53.832 54.000 0.216 0.000 0.889 164 D CB 0.269 41.252 40.800 0.304 0.000 1.199 164 D HN 0.104 nan 8.370 nan 0.000 0.436 165 L N 3.481 124.818 121.223 0.190 0.000 2.051 165 L HA -0.074 4.165 4.340 -0.168 0.000 0.214 165 L C 2.023 179.037 176.870 0.240 0.000 1.076 165 L CA 2.682 57.623 54.840 0.167 0.000 0.758 165 L CB -1.162 40.941 42.059 0.074 0.000 0.890 165 L HN 0.667 nan 8.230 nan 0.000 0.433 166 G N -1.285 107.720 108.800 0.342 0.000 2.446 166 G HA2 -0.217 3.642 3.960 -0.168 0.000 0.217 166 G HA3 -0.217 3.642 3.960 -0.168 0.000 0.217 166 G C 1.545 176.573 174.900 0.214 0.000 1.168 166 G CA 1.147 46.477 45.100 0.383 0.000 0.771 166 G HN 0.367 nan 8.290 nan 0.000 0.551 167 V N 0.776 120.805 119.914 0.192 0.000 2.343 167 V HA -0.179 3.840 4.120 -0.168 0.000 0.247 167 V C 2.933 179.120 176.094 0.155 0.000 1.051 167 V CA 1.993 64.378 62.300 0.143 0.000 1.036 167 V CB -0.490 31.406 31.823 0.121 0.000 0.654 167 V HN 0.329 nan 8.190 nan 0.000 0.451 168 R N -0.287 120.313 120.500 0.167 0.000 2.105 168 R HA -0.136 4.103 4.340 -0.168 0.000 0.239 168 R C 2.212 178.583 176.300 0.119 0.000 1.135 168 R CA 1.552 57.742 56.100 0.150 0.000 0.967 168 R CB -0.621 29.762 30.300 0.139 0.000 0.861 168 R HN 0.443 nan 8.270 nan 0.000 0.442 169 V N 0.329 120.309 119.914 0.109 0.000 2.358 169 V HA -0.284 3.735 4.120 -0.168 0.000 0.246 169 V C 2.507 178.641 176.094 0.067 0.000 1.047 169 V CA 1.527 63.863 62.300 0.060 0.000 1.035 169 V CB -0.501 31.352 31.823 0.049 0.000 0.658 169 V HN 0.442 nan 8.190 nan 0.000 0.452 170 C N -0.023 119.359 119.300 0.136 0.000 2.425 170 C HA -0.148 4.212 4.460 -0.168 0.000 0.277 170 C C 2.684 177.841 174.990 0.278 0.000 1.280 170 C CA 0.923 60.094 59.018 0.254 0.000 1.744 170 C CB -1.010 26.946 27.740 0.359 0.000 1.989 170 C HN 0.622 nan 8.230 nan 0.000 0.491 171 E N 0.862 121.189 120.200 0.212 0.000 2.070 171 E HA -0.252 3.997 4.350 -0.168 0.000 0.197 171 E C 2.145 178.861 176.600 0.193 0.000 1.004 171 E CA 1.344 57.877 56.400 0.222 0.000 0.805 171 E CB -0.172 29.668 29.700 0.233 0.000 0.744 171 E HN 0.646 nan 8.360 nan 0.000 0.451 172 K N 0.284 120.768 120.400 0.140 0.000 2.063 172 K HA -0.138 4.081 4.320 -0.168 0.000 0.208 172 K C 2.212 178.862 176.600 0.083 0.000 1.048 172 K CA 1.486 57.842 56.287 0.115 0.000 0.928 172 K CB -0.159 32.338 32.500 -0.006 0.000 0.713 172 K HN 0.118 nan 8.250 nan 0.000 0.442 173 M N 0.375 119.978 119.600 0.005 0.000 2.080 173 M HA -0.207 4.173 4.480 -0.168 0.000 0.260 173 M C 2.445 178.766 176.300 0.034 0.000 1.068 173 M CA 1.902 57.130 55.300 -0.120 0.000 1.109 173 M CB -0.374 31.931 32.600 -0.491 0.000 1.342 173 M HN 0.246 nan 8.290 nan 0.000 0.405 174 A N -0.621 122.346 122.820 0.246 0.000 1.929 174 A HA 0.030 4.249 4.320 -0.168 0.000 0.216 174 A C 1.867 179.540 177.584 0.149 0.000 1.176 174 A CA 1.251 53.476 52.037 0.313 0.000 0.628 174 A CB -0.220 19.000 19.000 0.365 0.000 0.816 174 A HN 0.503 nan 8.150 nan 0.000 0.444 175 L N -3.365 117.928 121.223 0.116 0.000 3.174 175 L HA 0.203 4.442 4.340 -0.168 0.000 0.283 175 L C 1.790 178.662 176.870 0.004 0.000 1.187 175 L CA -0.003 54.843 54.840 0.010 0.000 1.018 175 L CB 0.137 42.179 42.059 -0.028 0.000 1.433 175 L HN 0.429 nan 8.230 nan 0.000 0.593 176 Y N 1.405 121.693 120.300 -0.020 0.000 2.128 176 Y HA -0.318 4.128 4.550 -0.174 0.000 0.284 176 Y C 2.164 178.050 175.900 -0.023 0.000 1.154 176 Y CA 2.286 60.374 58.100 -0.021 0.000 1.149 176 Y CB 0.139 38.590 38.460 -0.015 0.000 0.976 176 Y HN 0.215 nan 8.280 nan 0.000 0.505 177 D N -0.993 119.430 120.400 0.039 0.000 2.219 177 D HA -0.136 4.403 4.640 -0.168 0.000 0.205 177 D C 2.091 178.329 176.300 -0.103 0.000 0.970 177 D CA 1.071 55.054 54.000 -0.029 0.000 0.851 177 D CB -0.027 40.799 40.800 0.043 0.000 0.943 177 D HN 0.259 nan 8.370 nan 0.000 0.488 178 V N 0.279 120.125 119.914 -0.113 0.000 2.283 178 V HA -0.195 3.824 4.120 -0.168 0.000 0.243 178 V C 2.685 178.664 176.094 -0.192 0.000 1.039 178 V CA 1.638 63.852 62.300 -0.145 0.000 1.016 178 V CB -0.589 31.115 31.823 -0.198 0.000 0.650 178 V HN 0.315 nan 8.190 nan 0.000 0.449 179 V N -2.074 117.694 119.914 -0.244 0.000 2.759 179 V HA -0.132 3.887 4.120 -0.168 0.000 0.256 179 V C 2.042 177.996 176.094 -0.234 0.000 1.080 179 V CA 2.203 64.368 62.300 -0.226 0.000 1.101 179 V CB -0.665 31.034 31.823 -0.207 0.000 0.698 179 V HN 0.466 nan 8.190 nan 0.000 0.477 180 S N 0.013 115.530 115.700 -0.304 0.000 2.496 180 S HA 0.029 4.399 4.470 -0.168 0.000 0.224 180 S C 1.723 176.245 174.600 -0.132 0.000 0.996 180 S CA 1.337 59.387 58.200 -0.250 0.000 0.927 180 S CB 0.042 63.029 63.200 -0.356 0.000 0.774 180 S HN 0.813 nan 8.310 nan 0.000 0.524 181 T N 0.770 115.241 114.554 -0.139 0.000 3.057 181 T HA 0.278 4.527 4.350 -0.168 0.000 0.254 181 T C 1.537 176.159 174.700 -0.130 0.000 0.965 181 T CA -0.226 61.812 62.100 -0.103 0.000 0.978 181 T CB -0.153 68.672 68.868 -0.072 0.000 1.169 181 T HN 0.163 nan 8.240 nan 0.000 0.489 182 L N 2.231 123.370 121.223 -0.141 0.000 2.027 182 L HA 0.061 4.300 4.340 -0.168 0.000 0.206 182 L C -1.073 175.664 176.870 -0.221 0.000 1.074 182 L CA 1.511 56.275 54.840 -0.126 0.000 0.745 182 L CB -0.734 41.295 42.059 -0.051 0.000 0.898 182 L HN 0.093 nan 8.230 nan 0.000 0.433 183 P HA -0.193 nan 4.420 nan 0.000 0.216 183 P C 1.236 178.186 177.300 -0.583 0.000 1.150 183 P CA 1.411 64.132 63.100 -0.631 0.000 0.837 183 P CB -0.006 30.934 31.700 -1.267 0.000 0.786 184 Q N -0.304 119.213 119.800 -0.471 0.000 2.135 184 Q HA -0.107 4.133 4.340 -0.168 0.000 0.204 184 Q C 2.275 178.190 176.000 -0.141 0.000 0.981 184 Q CA 2.027 57.719 55.803 -0.186 0.000 0.856 184 Q CB -1.338 27.354 28.738 -0.078 0.000 0.902 184 Q HN 0.209 nan 8.270 nan 0.000 0.425 185 A N -0.137 122.598 122.820 -0.142 0.000 1.929 185 A HA -0.071 4.148 4.320 -0.168 0.000 0.216 185 A C 2.244 179.765 177.584 -0.105 0.000 1.176 185 A CA 1.234 53.213 52.037 -0.096 0.000 0.628 185 A CB -0.402 18.553 19.000 -0.075 0.000 0.816 185 A HN 0.225 nan 8.150 nan 0.000 0.444 186 V N -0.791 119.030 119.914 -0.154 0.000 2.446 186 V HA -0.091 3.928 4.120 -0.168 0.000 0.244 186 V C 2.278 178.223 176.094 -0.248 0.000 1.039 186 V CA 1.914 64.116 62.300 -0.165 0.000 1.045 186 V CB -0.450 31.271 31.823 -0.171 0.000 0.681 186 V HN 0.551 nan 8.190 nan 0.000 0.459 187 M N -1.021 118.372 119.600 -0.345 0.000 2.337 187 M HA 0.381 4.760 4.480 -0.168 0.000 0.256 187 M C 1.391 177.573 176.300 -0.197 0.000 1.075 187 M CA 0.702 55.692 55.300 -0.517 0.000 1.024 187 M CB 0.595 32.780 32.600 -0.692 0.000 1.429 187 M HN 0.455 nan 8.290 nan 0.000 0.497 188 G N 1.702 110.439 108.800 -0.106 0.000 2.596 188 G HA2 -0.386 3.473 3.960 -0.168 0.000 0.295 188 G HA3 -0.386 3.473 3.960 -0.168 0.000 0.295 188 G C 0.791 175.694 174.900 0.004 0.000 1.240 188 G CA 0.765 45.850 45.100 -0.024 0.000 0.985 188 G HN 0.526 nan 8.290 nan 0.000 0.555 189 S N -0.730 115.004 115.700 0.058 0.000 2.469 189 S HA 0.019 4.388 4.470 -0.168 0.000 0.238 189 S C 2.212 176.807 174.600 -0.009 0.000 0.998 189 S CA 2.013 60.259 58.200 0.076 0.000 0.957 189 S CB -0.170 63.183 63.200 0.255 0.000 0.764 189 S HN 1.061 nan 8.310 nan 0.000 0.514 190 S N 0.315 116.048 115.700 0.056 0.000 2.481 190 S HA 0.083 4.452 4.470 -0.168 0.000 0.231 190 S C 0.312 174.921 174.600 0.014 0.000 0.996 190 S CA 0.004 58.245 58.200 0.068 0.000 0.942 190 S CB -0.449 62.894 63.200 0.238 0.000 0.768 190 S HN 0.718 nan 8.310 nan 0.000 0.520 191 Y N 3.018 123.227 120.300 -0.152 0.000 2.587 191 Y HA 0.437 4.885 4.550 -0.170 0.000 0.344 191 Y C 1.219 177.009 175.900 -0.184 0.000 1.061 191 Y CA -1.353 56.643 58.100 -0.172 0.000 1.370 191 Y CB 0.010 38.371 38.460 -0.166 0.000 1.163 191 Y HN 0.035 nan 8.280 nan 0.000 0.527 192 G N 4.446 112.861 108.800 -0.641 0.000 2.448 192 G HA2 -0.222 3.637 3.960 -0.168 0.000 0.218 192 G HA3 -0.222 3.637 3.960 -0.168 0.000 0.218 192 G C 0.998 175.420 174.900 -0.797 0.000 1.135 192 G CA 0.186 44.897 45.100 -0.649 0.000 0.784 192 G HN 0.636 nan 8.290 nan 0.000 0.543 193 F N 1.369 120.728 119.950 -0.985 0.000 2.661 193 F HA 0.049 4.474 4.527 -0.170 0.000 0.298 193 F C 2.882 178.462 175.800 -0.366 0.000 1.137 193 F CA 0.791 58.401 58.000 -0.650 0.000 1.454 193 F CB -0.131 38.616 39.000 -0.422 0.000 1.103 193 F HN 0.341 nan 8.300 nan 0.000 0.577 194 Q N -0.411 119.141 119.800 -0.414 0.000 2.291 194 Q HA -0.147 4.092 4.340 -0.168 0.000 0.205 194 Q C -0.301 175.519 176.000 -0.300 0.000 0.970 194 Q CA 0.977 56.650 55.803 -0.217 0.000 0.876 194 Q CB -0.592 27.969 28.738 -0.295 0.000 0.935 194 Q HN 0.316 nan 8.270 nan 0.000 0.455 195 Y N 2.390 122.559 120.300 -0.218 0.000 2.299 195 Y HA 0.195 4.643 4.550 -0.169 0.000 0.326 195 Y C 0.858 176.467 175.900 -0.485 0.000 1.164 195 Y CA -0.626 57.318 58.100 -0.260 0.000 1.234 195 Y CB 1.119 39.414 38.460 -0.274 0.000 1.219 195 Y HN 0.112 nan 8.280 nan 0.000 0.497 196 S N 2.770 118.296 115.700 -0.289 0.000 2.596 196 S HA 0.139 4.508 4.470 -0.168 0.000 0.260 196 S C -1.945 172.533 174.600 -0.203 0.000 1.336 196 S CA -0.999 56.949 58.200 -0.420 0.000 0.993 196 S CB 1.027 64.169 63.200 -0.098 0.000 0.923 196 S HN 0.454 nan 8.310 nan 0.000 0.567 197 P HA -0.016 nan 4.420 nan 0.000 0.216 197 P C 1.727 178.980 177.300 -0.079 0.000 1.153 197 P CA 1.792 64.814 63.100 -0.130 0.000 0.858 197 P CB -0.541 31.051 31.700 -0.179 0.000 0.789 198 G N -0.434 108.294 108.800 -0.122 0.000 2.418 198 G HA2 -0.267 3.592 3.960 -0.168 0.000 0.217 198 G HA3 -0.267 3.592 3.960 -0.168 0.000 0.217 198 G C 1.544 176.444 174.900 0.000 0.000 1.158 198 G CA 0.579 45.670 45.100 -0.015 0.000 0.771 198 G HN 0.309 nan 8.290 nan 0.000 0.545 199 Q N -0.512 119.289 119.800 0.001 0.000 2.119 199 Q HA -0.005 4.234 4.340 -0.168 0.000 0.201 199 Q C 2.604 178.572 176.000 -0.053 0.000 0.972 199 Q CA 0.936 56.774 55.803 0.057 0.000 0.847 199 Q CB -0.140 28.708 28.738 0.184 0.000 0.903 199 Q HN 0.453 nan 8.270 nan 0.000 0.433 200 R N 0.433 120.859 120.500 -0.123 0.000 2.073 200 R HA -0.147 4.092 4.340 -0.168 0.000 0.234 200 R C 2.089 178.299 176.300 -0.150 0.000 1.134 200 R CA 1.459 57.386 56.100 -0.288 0.000 0.952 200 R CB -0.155 30.015 30.300 -0.216 0.000 0.850 200 R HN 0.110 nan 8.270 nan 0.000 0.433 201 V N 1.292 121.164 119.914 -0.069 0.000 2.343 201 V HA -0.248 3.771 4.120 -0.168 0.000 0.247 201 V C 2.364 178.421 176.094 -0.061 0.000 1.051 201 V CA 2.280 64.555 62.300 -0.043 0.000 1.036 201 V CB -0.701 31.142 31.823 0.034 0.000 0.654 201 V HN 0.507 nan 8.190 nan 0.000 0.451 202 E N 0.019 120.201 120.200 -0.029 0.000 2.051 202 E HA -0.284 3.965 4.350 -0.168 0.000 0.192 202 E C 2.082 178.645 176.600 -0.061 0.000 0.991 202 E CA 1.740 58.122 56.400 -0.030 0.000 0.799 202 E CB -0.301 29.409 29.700 0.016 0.000 0.748 202 E HN 0.550 nan 8.360 nan 0.000 0.449 203 F N 1.125 120.943 119.950 -0.219 0.000 2.095 203 F HA -0.197 4.229 4.527 -0.167 0.000 0.298 203 F C 1.849 177.522 175.800 -0.211 0.000 1.104 203 F CA 1.580 59.421 58.000 -0.264 0.000 1.232 203 F CB -0.171 38.493 39.000 -0.560 0.000 0.987 203 F HN 0.026 nan 8.300 nan 0.000 0.475 204 L N -0.698 120.437 121.223 -0.146 0.000 2.027 204 L HA -0.211 4.028 4.340 -0.168 0.000 0.206 204 L C 2.394 179.130 176.870 -0.225 0.000 1.074 204 L CA 1.093 55.818 54.840 -0.192 0.000 0.745 204 L CB -0.879 41.108 42.059 -0.120 0.000 0.898 204 L HN 0.017 nan 8.230 nan 0.000 0.433 205 V N 0.025 119.788 119.914 -0.252 0.000 2.343 205 V HA -0.267 3.752 4.120 -0.168 0.000 0.247 205 V C 2.269 178.247 176.094 -0.194 0.000 1.051 205 V CA 1.733 63.849 62.300 -0.306 0.000 1.036 205 V CB -0.692 30.826 31.823 -0.507 0.000 0.654 205 V HN 0.461 nan 8.190 nan 0.000 0.451 206 N N 0.653 119.226 118.700 -0.212 0.000 2.043 206 N HA -0.161 4.478 4.740 -0.168 0.000 0.193 206 N C 1.926 177.302 175.510 -0.224 0.000 1.037 206 N CA 1.908 54.841 53.050 -0.195 0.000 0.851 206 N CB -0.663 37.702 38.487 -0.204 0.000 1.027 206 N HN 0.476 nan 8.380 nan 0.000 0.422 207 A N 0.903 123.507 122.820 -0.359 0.000 1.908 207 A HA -0.181 4.039 4.320 -0.168 0.000 0.218 207 A C 2.178 179.672 177.584 -0.150 0.000 1.181 207 A CA 1.264 53.097 52.037 -0.340 0.000 0.627 207 A CB -1.103 17.575 19.000 -0.537 0.000 0.818 207 A HN 0.593 nan 8.150 nan 0.000 0.445 208 W N 0.745 121.884 121.300 -0.268 0.000 2.354 208 W HA -0.131 4.428 4.660 -0.168 0.000 0.315 208 W C 1.774 178.199 176.519 -0.156 0.000 1.206 208 W CA 1.955 59.183 57.345 -0.195 0.000 1.290 208 W CB -0.234 29.105 29.460 -0.201 0.000 1.152 208 W HN 0.295 nan 8.180 nan 0.000 0.489 209 K N 0.030 120.441 120.400 0.019 0.000 2.365 209 K HA -0.047 4.172 4.320 -0.168 0.000 0.199 209 K C 2.012 178.547 176.600 -0.108 0.000 1.045 209 K CA 0.845 57.108 56.287 -0.040 0.000 0.962 209 K CB -0.203 32.293 32.500 -0.007 0.000 0.759 209 K HN 0.060 nan 8.250 nan 0.000 0.469 210 A N 1.368 124.109 122.820 -0.133 0.000 2.067 210 A HA -0.039 4.180 4.320 -0.168 0.000 0.217 210 A C 0.514 178.010 177.584 -0.146 0.000 1.156 210 A CA 0.722 52.683 52.037 -0.126 0.000 0.683 210 A CB 0.072 18.996 19.000 -0.126 0.000 0.808 210 A HN -0.009 nan 8.150 nan 0.000 0.455 211 K N 0.629 120.900 120.400 -0.214 0.000 2.237 211 K HA 0.202 4.421 4.320 -0.168 0.000 0.270 211 K C 0.447 176.928 176.600 -0.198 0.000 1.015 211 K CA -0.138 56.012 56.287 -0.229 0.000 0.949 211 K CB 0.773 33.068 32.500 -0.342 0.000 0.976 211 K HN 0.254 nan 8.250 nan 0.000 0.472 212 K N 0.232 120.542 120.400 -0.149 0.000 2.025 212 K HA -0.092 4.127 4.320 -0.168 0.000 0.207 212 K C 0.727 177.248 176.600 -0.132 0.000 1.049 212 K CA 1.134 57.352 56.287 -0.115 0.000 0.933 212 K CB 0.078 32.529 32.500 -0.082 0.000 0.714 212 K HN 0.508 nan 8.250 nan 0.000 0.438 213 C N 2.632 121.839 119.300 -0.154 0.000 3.123 213 C HA 0.362 4.721 4.460 -0.168 0.000 0.284 213 C C -2.750 172.110 174.990 -0.216 0.000 1.076 213 C CA -2.386 56.544 59.018 -0.146 0.000 1.416 213 C CB 0.311 28.006 27.740 -0.075 0.000 1.841 213 C HN 0.176 nan 8.230 nan 0.000 0.501 214 P HA 0.213 nan 4.420 nan 0.000 0.271 214 P C -0.647 176.354 177.300 -0.499 0.000 1.216 214 P CA 0.273 62.914 63.100 -0.765 0.000 0.776 214 P CB 0.932 31.511 31.700 -1.869 0.000 0.881 215 M N 2.388 121.778 119.600 -0.351 0.000 2.393 215 M HA 0.651 5.030 4.480 -0.168 0.000 0.299 215 M C -1.060 175.210 176.300 -0.051 0.000 1.103 215 M CA -0.324 54.846 55.300 -0.216 0.000 0.910 215 M CB 2.460 34.969 32.600 -0.151 0.000 1.659 215 M HN 0.558 nan 8.290 nan 0.000 0.445 216 G N 3.888 112.754 108.800 0.110 0.000 2.659 216 G HA2 0.827 4.686 3.960 -0.168 0.000 0.296 216 G HA3 0.827 4.686 3.960 -0.168 0.000 0.296 216 G C -1.997 172.990 174.900 0.144 0.000 1.369 216 G CA -0.603 44.589 45.100 0.153 0.000 0.937 216 G HN 0.791 nan 8.290 nan 0.000 0.485 217 F N -0.671 119.236 119.950 -0.071 0.000 2.641 217 F HA 0.842 5.269 4.527 -0.167 0.000 0.308 217 F C -0.259 175.515 175.800 -0.045 0.000 1.105 217 F CA -1.776 56.179 58.000 -0.076 0.000 0.964 217 F CB 1.315 40.256 39.000 -0.098 0.000 1.294 217 F HN 0.781 nan 8.300 nan 0.000 0.442 218 A N 2.169 125.047 122.820 0.096 0.000 2.309 218 A HA 0.605 4.824 4.320 -0.168 0.000 0.298 218 A C -2.031 175.720 177.584 0.279 0.000 1.165 218 A CA -0.551 51.524 52.037 0.063 0.000 0.821 218 A CB 0.438 19.451 19.000 0.023 0.000 1.102 218 A HN 0.908 nan 8.150 nan 0.000 0.500 219 Y N 1.735 122.129 120.300 0.158 0.000 2.334 219 Y HA 0.429 4.877 4.550 -0.169 0.000 0.336 219 Y C -0.471 175.536 175.900 0.178 0.000 0.960 219 Y CA -0.801 57.464 58.100 0.275 0.000 1.164 219 Y CB 1.287 40.016 38.460 0.449 0.000 1.155 219 Y HN 0.725 nan 8.280 nan 0.000 0.478 220 D N 4.521 124.751 120.400 -0.282 0.000 2.396 220 D HA 0.194 4.733 4.640 -0.168 0.000 0.225 220 D C -0.691 175.448 176.300 -0.269 0.000 1.121 220 D CA -0.088 53.806 54.000 -0.176 0.000 0.853 220 D CB 0.846 41.569 40.800 -0.129 0.000 1.043 220 D HN 0.469 nan 8.370 nan 0.000 0.500 221 T N 3.825 118.404 114.554 0.040 0.000 2.884 221 T HA 0.118 4.367 4.350 -0.168 0.000 0.298 221 T C 0.471 175.253 174.700 0.137 0.000 0.998 221 T CA -0.503 61.712 62.100 0.191 0.000 1.124 221 T CB 0.729 69.922 68.868 0.542 0.000 0.931 221 T HN 0.304 nan 8.240 nan 0.000 0.531 222 R N 2.383 122.924 120.500 0.069 0.000 2.421 222 R HA 0.089 4.328 4.340 -0.168 0.000 0.305 222 R C 0.199 176.589 176.300 0.151 0.000 1.039 222 R CA -0.259 55.867 56.100 0.044 0.000 1.003 222 R CB -0.565 29.690 30.300 -0.076 0.000 0.959 222 R HN 0.929 nan 8.270 nan 0.000 0.427 223 C N 6.723 126.144 119.300 0.201 0.000 2.977 223 C HA -0.193 4.166 4.460 -0.168 0.000 0.252 223 C C 1.265 176.466 174.990 0.352 0.000 1.310 223 C CA 0.220 59.416 59.018 0.297 0.000 2.393 223 C CB -2.367 25.609 27.740 0.395 0.000 1.512 223 C HN 1.050 nan 8.230 nan 0.000 0.453 224 F N 2.023 122.084 119.950 0.185 0.000 2.091 224 F HA -0.102 4.325 4.527 -0.167 0.000 0.299 224 F C 1.845 177.747 175.800 0.170 0.000 1.103 224 F CA 2.471 60.578 58.000 0.178 0.000 1.228 224 F CB -0.102 38.989 39.000 0.151 0.000 0.984 224 F HN 0.580 nan 8.300 nan 0.000 0.477 225 D N -0.396 120.238 120.400 0.390 0.000 2.158 225 D HA -0.173 4.367 4.640 -0.168 0.000 0.197 225 D C 2.423 178.772 176.300 0.082 0.000 0.995 225 D CA 1.694 55.847 54.000 0.255 0.000 0.846 225 D CB -0.521 40.435 40.800 0.260 0.000 0.941 225 D HN 0.259 nan 8.370 nan 0.000 0.456 226 S N -0.495 115.263 115.700 0.098 0.000 2.453 226 S HA -0.091 4.278 4.470 -0.168 0.000 0.231 226 S C 2.034 176.544 174.600 -0.150 0.000 1.005 226 S CA 1.296 59.437 58.200 -0.099 0.000 0.949 226 S CB -0.142 62.950 63.200 -0.180 0.000 0.774 226 S HN 0.523 nan 8.310 nan 0.000 0.510 227 T N -0.476 114.086 114.554 0.013 0.000 3.067 227 T HA 0.124 4.374 4.350 -0.168 0.000 0.261 227 T C 0.611 175.206 174.700 -0.174 0.000 1.110 227 T CA 0.063 62.153 62.100 -0.017 0.000 1.113 227 T CB -0.379 68.456 68.868 -0.056 0.000 0.917 227 T HN 0.033 nan 8.240 nan 0.000 0.499 228 V N 4.066 123.849 119.914 -0.219 0.000 2.446 228 V HA 0.316 4.335 4.120 -0.168 0.000 0.276 228 V C 1.136 177.168 176.094 -0.104 0.000 1.030 228 V CA -0.301 61.901 62.300 -0.164 0.000 1.033 228 V CB 0.135 31.907 31.823 -0.085 0.000 0.993 228 V HN 0.717 nan 8.190 nan 0.000 0.477 229 T N 0.895 115.419 114.554 -0.051 0.000 2.881 229 T HA 0.279 4.528 4.350 -0.168 0.000 0.278 229 T C 1.083 175.815 174.700 0.054 0.000 0.982 229 T CA -0.308 61.806 62.100 0.023 0.000 0.989 229 T CB 1.405 70.339 68.868 0.110 0.000 1.058 229 T HN 0.704 nan 8.240 nan 0.000 0.529 230 E N 0.504 120.765 120.200 0.102 0.000 2.097 230 E HA -0.285 3.964 4.350 -0.168 0.000 0.196 230 E C 1.871 178.493 176.600 0.036 0.000 1.000 230 E CA 1.639 58.073 56.400 0.056 0.000 0.804 230 E CB -0.187 29.532 29.700 0.032 0.000 0.740 230 E HN 0.738 nan 8.360 nan 0.000 0.454 231 N N 0.505 119.223 118.700 0.029 0.000 2.188 231 N HA -0.150 4.489 4.740 -0.168 0.000 0.184 231 N C 1.359 176.890 175.510 0.035 0.000 1.018 231 N CA 1.603 54.662 53.050 0.016 0.000 0.858 231 N CB -0.028 38.455 38.487 -0.007 0.000 0.989 231 N HN 0.158 nan 8.380 nan 0.000 0.426 232 D N 0.105 120.530 120.400 0.042 0.000 2.133 232 D HA -0.143 4.396 4.640 -0.168 0.000 0.195 232 D C 1.851 178.177 176.300 0.043 0.000 0.997 232 D CA 1.002 55.038 54.000 0.060 0.000 0.840 232 D CB -0.224 40.605 40.800 0.049 0.000 0.947 232 D HN 0.428 nan 8.370 nan 0.000 0.452 233 I N 0.356 120.952 120.570 0.043 0.000 2.439 233 I HA -0.146 3.923 4.170 -0.168 0.000 0.251 233 I C 2.456 178.594 176.117 0.035 0.000 1.139 233 I CA 0.679 62.010 61.300 0.051 0.000 1.438 233 I CB -0.045 38.006 38.000 0.086 0.000 1.085 233 I HN -0.115 nan 8.210 nan 0.000 0.427 234 R N 0.148 120.667 120.500 0.031 0.000 2.092 234 R HA -0.077 4.162 4.340 -0.168 0.000 0.231 234 R C 2.344 178.636 176.300 -0.013 0.000 1.119 234 R CA 1.007 57.118 56.100 0.018 0.000 0.970 234 R CB -0.373 29.938 30.300 0.018 0.000 0.864 234 R HN 0.194 nan 8.270 nan 0.000 0.440 235 V N 1.493 121.403 119.914 -0.007 0.000 2.343 235 V HA -0.248 3.771 4.120 -0.168 0.000 0.247 235 V C 1.975 177.997 176.094 -0.119 0.000 1.051 235 V CA 1.845 64.131 62.300 -0.024 0.000 1.036 235 V CB -0.407 31.443 31.823 0.045 0.000 0.654 235 V HN 0.351 nan 8.190 nan 0.000 0.451 236 E N -0.272 119.831 120.200 -0.161 0.000 2.058 236 E HA -0.291 3.958 4.350 -0.168 0.000 0.194 236 E C 2.318 178.494 176.600 -0.707 0.000 0.997 236 E CA 1.562 57.718 56.400 -0.406 0.000 0.801 236 E CB -0.201 29.315 29.700 -0.307 0.000 0.746 236 E HN 0.647 nan 8.360 nan 0.000 0.450 237 E N 0.579 120.576 120.200 -0.338 0.000 2.085 237 E HA -0.214 4.035 4.350 -0.168 0.000 0.194 237 E C 2.155 178.694 176.600 -0.102 0.000 0.994 237 E CA 1.557 57.874 56.400 -0.139 0.000 0.801 237 E CB 0.006 29.747 29.700 0.068 0.000 0.743 237 E HN 0.234 nan 8.360 nan 0.000 0.453 238 S N 0.289 115.930 115.700 -0.099 0.000 2.399 238 S HA -0.149 4.220 4.470 -0.168 0.000 0.231 238 S C 2.052 176.615 174.600 -0.062 0.000 1.022 238 S CA 1.023 59.194 58.200 -0.050 0.000 0.983 238 S CB -0.520 62.658 63.200 -0.037 0.000 0.803 238 S HN 0.304 nan 8.310 nan 0.000 0.480 239 I N 0.147 120.630 120.570 -0.145 0.000 2.202 239 I HA -0.130 3.940 4.170 -0.168 0.000 0.242 239 I C 2.363 178.477 176.117 -0.005 0.000 1.091 239 I CA 1.313 62.545 61.300 -0.113 0.000 1.368 239 I CB -0.550 37.344 38.000 -0.176 0.000 1.058 239 I HN 0.212 nan 8.210 nan 0.000 0.410 240 Y N 1.146 121.451 120.300 0.008 0.000 2.165 240 Y HA -0.248 4.201 4.550 -0.167 0.000 0.286 240 Y C 2.647 178.557 175.900 0.016 0.000 1.155 240 Y CA 0.783 58.891 58.100 0.013 0.000 1.164 240 Y CB -1.105 37.376 38.460 0.035 0.000 0.978 240 Y HN 0.264 nan 8.280 nan 0.000 0.513 241 Q N -1.320 118.580 119.800 0.166 0.000 2.436 241 Q HA -0.097 4.142 4.340 -0.168 0.000 0.209 241 Q C 2.279 178.316 176.000 0.061 0.000 0.965 241 Q CA 0.821 56.683 55.803 0.099 0.000 0.910 241 Q CB -0.723 28.057 28.738 0.071 0.000 0.980 241 Q HN 0.521 nan 8.270 nan 0.000 0.491 242 C N 0.186 119.517 119.300 0.051 0.000 2.448 242 C HA -0.021 4.338 4.460 -0.168 0.000 0.280 242 C C 1.571 176.581 174.990 0.033 0.000 1.398 242 C CA -0.683 58.354 59.018 0.031 0.000 1.774 242 C CB -0.667 27.082 27.740 0.015 0.000 1.888 242 C HN 0.410 nan 8.230 nan 0.000 0.519 243 C N 1.828 121.157 119.300 0.049 0.000 2.700 243 C HA 0.137 4.496 4.460 -0.168 0.000 0.397 243 C C 0.537 175.547 174.990 0.033 0.000 1.301 243 C CA -0.232 58.809 59.018 0.038 0.000 2.219 243 C CB -0.297 27.471 27.740 0.046 0.000 2.699 243 C HN 0.501 nan 8.230 nan 0.000 0.669 244 D N 1.684 122.099 120.400 0.024 0.000 2.344 244 D HA 0.431 4.970 4.640 -0.168 0.000 0.253 244 D C -0.588 175.729 176.300 0.028 0.000 1.255 244 D CA 0.385 54.399 54.000 0.023 0.000 0.894 244 D CB -0.055 40.754 40.800 0.016 0.000 1.067 244 D HN 0.381 nan 8.370 nan 0.000 0.492 245 L N 2.147 123.391 121.223 0.034 0.000 2.354 245 L HA 0.673 4.912 4.340 -0.168 0.000 0.264 245 L C 0.411 177.308 176.870 0.044 0.000 1.008 245 L CA -1.542 53.324 54.840 0.043 0.000 0.819 245 L CB 1.831 43.922 42.059 0.054 0.000 1.339 245 L HN 0.332 nan 8.230 nan 0.000 0.420 246 A N 2.041 124.893 122.820 0.054 0.000 2.483 246 A HA 0.321 4.540 4.320 -0.168 0.000 0.238 246 A C -1.780 175.842 177.584 0.064 0.000 1.070 246 A CA -0.814 51.258 52.037 0.059 0.000 0.770 246 A CB -0.147 18.896 19.000 0.072 0.000 1.008 246 A HN 0.629 nan 8.150 nan 0.000 0.497 247 P HA -0.187 nan 4.420 nan 0.000 0.216 247 P C 1.092 178.420 177.300 0.047 0.000 1.153 247 P CA 1.701 64.826 63.100 0.042 0.000 0.858 247 P CB 0.141 31.861 31.700 0.032 0.000 0.789 248 E N -0.712 119.541 120.200 0.088 0.000 2.110 248 E HA -0.147 4.102 4.350 -0.168 0.000 0.193 248 E C 2.077 178.748 176.600 0.119 0.000 0.988 248 E CA 1.103 57.571 56.400 0.113 0.000 0.804 248 E CB -0.478 29.393 29.700 0.285 0.000 0.745 248 E HN 0.160 nan 8.360 nan 0.000 0.458 249 A N 1.685 124.610 122.820 0.175 0.000 1.877 249 A HA -0.208 4.012 4.320 -0.168 0.000 0.216 249 A C 2.073 179.705 177.584 0.079 0.000 1.186 249 A CA 1.251 53.390 52.037 0.170 0.000 0.620 249 A CB -0.391 18.696 19.000 0.145 0.000 0.822 249 A HN 0.090 nan 8.150 nan 0.000 0.443 250 R N -1.143 119.390 120.500 0.055 0.000 2.083 250 R HA -0.198 4.041 4.340 -0.168 0.000 0.237 250 R C 2.513 178.814 176.300 0.001 0.000 1.137 250 R CA 1.775 57.897 56.100 0.037 0.000 0.951 250 R CB -0.357 29.961 30.300 0.031 0.000 0.851 250 R HN 0.648 nan 8.270 nan 0.000 0.434 251 Q N 0.686 120.464 119.800 -0.037 0.000 2.050 251 Q HA -0.087 4.153 4.340 -0.168 0.000 0.202 251 Q C 1.936 177.844 176.000 -0.153 0.000 0.980 251 Q CA 2.068 57.816 55.803 -0.092 0.000 0.840 251 Q CB -0.247 28.419 28.738 -0.121 0.000 0.898 251 Q HN 0.345 nan 8.270 nan 0.000 0.424 252 A N -0.060 122.626 122.820 -0.222 0.000 1.930 252 A HA -0.100 4.119 4.320 -0.168 0.000 0.217 252 A C 2.113 179.622 177.584 -0.126 0.000 1.175 252 A CA 1.336 53.181 52.037 -0.320 0.000 0.627 252 A CB -0.662 17.993 19.000 -0.575 0.000 0.815 252 A HN 0.476 nan 8.150 nan 0.000 0.443 253 I N -0.972 119.588 120.570 -0.016 0.000 2.252 253 I HA -0.245 3.824 4.170 -0.168 0.000 0.245 253 I C 2.647 178.799 176.117 0.058 0.000 1.102 253 I CA 1.689 63.032 61.300 0.072 0.000 1.385 253 I CB -0.249 37.830 38.000 0.130 0.000 1.064 253 I HN 0.334 nan 8.210 nan 0.000 0.414 254 R N 1.129 121.641 120.500 0.019 0.000 2.083 254 R HA -0.158 4.082 4.340 -0.168 0.000 0.237 254 R C 2.289 178.566 176.300 -0.038 0.000 1.137 254 R CA 2.296 58.399 56.100 0.005 0.000 0.951 254 R CB -0.576 29.716 30.300 -0.013 0.000 0.851 254 R HN 0.174 nan 8.270 nan 0.000 0.434 255 S N 0.343 115.989 115.700 -0.090 0.000 2.355 255 S HA -0.054 4.315 4.470 -0.168 0.000 0.222 255 S C 1.858 176.362 174.600 -0.160 0.000 1.031 255 S CA 1.377 59.503 58.200 -0.124 0.000 0.993 255 S CB -0.318 62.781 63.200 -0.168 0.000 0.859 255 S HN 0.275 nan 8.310 nan 0.000 0.453 256 L N 1.073 122.170 121.223 -0.211 0.000 2.042 256 L HA -0.172 4.067 4.340 -0.168 0.000 0.210 256 L C 2.691 179.258 176.870 -0.504 0.000 1.076 256 L CA 1.256 55.846 54.840 -0.417 0.000 0.749 256 L CB -1.103 40.665 42.059 -0.484 0.000 0.893 256 L HN 0.326 nan 8.230 nan 0.000 0.432 257 T N -1.208 113.245 114.554 -0.169 0.000 2.674 257 T HA -0.227 4.022 4.350 -0.168 0.000 0.265 257 T C 1.806 176.510 174.700 0.007 0.000 1.039 257 T CA 1.605 63.739 62.100 0.057 0.000 1.150 257 T CB -0.106 68.868 68.868 0.176 0.000 0.864 257 T HN 0.220 nan 8.240 nan 0.000 0.427 258 E N 0.846 121.031 120.200 -0.025 0.000 2.106 258 E HA -0.024 4.225 4.350 -0.168 0.000 0.192 258 E C 2.278 178.860 176.600 -0.030 0.000 0.984 258 E CA 1.171 57.561 56.400 -0.017 0.000 0.806 258 E CB 0.049 29.734 29.700 -0.025 0.000 0.750 258 E HN 0.360 nan 8.360 nan 0.000 0.458 259 R N -1.190 119.264 120.500 -0.076 0.000 2.189 259 R HA 0.137 4.376 4.340 -0.168 0.000 0.203 259 R C 1.542 177.789 176.300 -0.089 0.000 1.012 259 R CA 0.689 56.745 56.100 -0.073 0.000 1.015 259 R CB 0.234 30.480 30.300 -0.091 0.000 0.938 259 R HN 0.166 nan 8.270 nan 0.000 0.472 260 L N -2.156 118.977 121.223 -0.150 0.000 2.691 260 L HA 0.190 4.429 4.340 -0.168 0.000 0.185 260 L C 1.268 178.143 176.870 0.007 0.000 1.081 260 L CA 0.829 55.589 54.840 -0.133 0.000 0.865 260 L CB -0.276 41.625 42.059 -0.263 0.000 1.370 260 L HN -0.121 nan 8.230 nan 0.000 0.488 261 Y N 1.411 121.732 120.300 0.036 0.000 2.242 261 Y HA -0.045 4.404 4.550 -0.168 0.000 0.291 261 Y C 2.529 178.445 175.900 0.026 0.000 1.137 261 Y CA 1.481 59.612 58.100 0.051 0.000 1.181 261 Y CB -1.113 37.401 38.460 0.090 0.000 0.989 261 Y HN 0.366 nan 8.280 nan 0.000 0.527 262 I N -2.574 118.089 120.570 0.154 0.000 2.676 262 I HA 0.300 4.369 4.170 -0.168 0.000 0.259 262 I C 1.100 177.239 176.117 0.037 0.000 1.194 262 I CA 1.126 62.478 61.300 0.087 0.000 1.473 262 I CB -0.403 37.637 38.000 0.067 0.000 1.096 262 I HN 0.116 nan 8.210 nan 0.000 0.443 263 G N -0.533 108.271 108.800 0.006 0.000 2.320 263 G HA2 0.485 4.344 3.960 -0.168 0.000 0.297 263 G HA3 0.485 4.344 3.960 -0.168 0.000 0.297 263 G C -0.872 173.897 174.900 -0.219 0.000 1.344 263 G CA -0.277 44.763 45.100 -0.100 0.000 0.851 263 G HN 0.740 nan 8.290 nan 0.000 0.567 264 G N -1.012 107.400 108.800 -0.648 0.000 2.320 264 G HA2 0.704 4.563 3.960 -0.168 0.000 0.297 264 G HA3 0.704 4.563 3.960 -0.168 0.000 0.297 264 G C -3.483 170.734 174.900 -1.137 0.000 1.344 264 G CA 0.070 44.706 45.100 -0.775 0.000 0.851 264 G HN 0.782 nan 8.290 nan 0.000 0.567 265 P HA 0.444 nan 4.420 nan 0.000 0.275 265 P C -0.472 176.728 177.300 -0.166 0.000 1.228 265 P CA -0.157 62.788 63.100 -0.260 0.000 0.786 265 P CB 1.112 32.815 31.700 0.004 0.000 0.927 266 L N 2.582 123.758 121.223 -0.078 0.000 2.287 266 L HA 0.434 4.673 4.340 -0.168 0.000 0.287 266 L C 0.509 177.390 176.870 0.018 0.000 1.022 266 L CA -0.177 54.653 54.840 -0.017 0.000 0.814 266 L CB 1.303 43.396 42.059 0.057 0.000 1.217 266 L HN 0.270 nan 8.230 nan 0.000 0.420 267 T N 1.501 116.044 114.554 -0.019 0.000 2.807 267 T HA 0.329 4.578 4.350 -0.168 0.000 0.279 267 T C -0.139 174.547 174.700 -0.024 0.000 0.993 267 T CA -0.860 61.232 62.100 -0.014 0.000 0.970 267 T CB 1.483 70.327 68.868 -0.040 0.000 0.950 267 T HN 0.635 nan 8.240 nan 0.000 0.441 268 N N 0.760 119.462 118.700 0.003 0.000 2.327 268 N HA 0.113 4.752 4.740 -0.168 0.000 0.257 268 N C 1.400 176.901 175.510 -0.015 0.000 1.281 268 N CA -0.350 52.702 53.050 0.003 0.000 0.942 268 N CB 0.101 38.600 38.487 0.020 0.000 1.199 268 N HN 0.463 nan 8.380 nan 0.000 0.532 269 S N -1.399 114.301 115.700 -0.000 0.000 2.474 269 S HA -0.072 4.297 4.470 -0.168 0.000 0.235 269 S C 0.923 175.518 174.600 -0.008 0.000 0.997 269 S CA 0.627 58.827 58.200 -0.000 0.000 0.949 269 S CB -0.417 62.798 63.200 0.024 0.000 0.766 269 S HN 0.619 nan 8.310 nan 0.000 0.517 270 K N 0.736 121.133 120.400 -0.004 0.000 2.417 270 K HA 0.319 4.539 4.320 -0.168 0.000 0.196 270 K C 1.134 177.726 176.600 -0.012 0.000 1.023 270 K CA 0.331 56.614 56.287 -0.006 0.000 1.122 270 K CB -0.096 32.405 32.500 0.002 0.000 0.850 270 K HN 0.494 nan 8.250 nan 0.000 0.521 271 G N 1.610 110.398 108.800 -0.020 0.000 2.148 271 G HA2 -0.313 3.546 3.960 -0.168 0.000 0.254 271 G HA3 -0.313 3.546 3.960 -0.168 0.000 0.254 271 G C -0.313 174.583 174.900 -0.007 0.000 0.981 271 G CA 0.028 45.114 45.100 -0.025 0.000 0.670 271 G HN 0.380 nan 8.290 nan 0.000 0.528 272 Q N 0.009 119.812 119.800 0.005 0.000 2.235 272 Q HA 0.304 4.543 4.340 -0.168 0.000 0.250 272 Q C 0.401 176.421 176.000 0.034 0.000 0.909 272 Q CA -0.626 55.190 55.803 0.020 0.000 0.910 272 Q CB 1.056 29.809 28.738 0.025 0.000 1.223 272 Q HN 0.400 nan 8.270 nan 0.000 0.432 273 N N 1.736 120.462 118.700 0.045 0.000 2.427 273 N HA -0.054 4.585 4.740 -0.168 0.000 0.269 273 N C 0.065 175.634 175.510 0.098 0.000 1.235 273 N CA -0.262 52.828 53.050 0.066 0.000 0.934 273 N CB 0.561 39.089 38.487 0.068 0.000 1.121 273 N HN 0.638 nan 8.380 nan 0.000 0.480 274 C N 3.169 122.545 119.300 0.125 0.000 2.551 274 C HA 0.430 4.789 4.460 -0.168 0.000 0.277 274 C C 1.105 176.282 174.990 0.311 0.000 1.349 274 C CA 0.938 60.082 59.018 0.210 0.000 1.750 274 C CB -1.175 26.697 27.740 0.221 0.000 2.058 274 C HN 0.943 nan 8.230 nan 0.000 0.518 275 G N -1.612 107.301 108.800 0.189 0.000 2.398 275 G HA2 0.277 4.136 3.960 -0.168 0.000 0.251 275 G HA3 0.277 4.136 3.960 -0.168 0.000 0.251 275 G C -2.117 172.825 174.900 0.070 0.000 1.277 275 G CA -0.232 44.933 45.100 0.109 0.000 0.927 275 G HN 0.173 nan 8.290 nan 0.000 0.477 276 Y N 0.689 120.882 120.300 -0.178 0.000 2.457 276 Y HA 0.742 5.191 4.550 -0.168 0.000 0.343 276 Y C 0.123 175.899 175.900 -0.208 0.000 0.994 276 Y CA -0.836 57.179 58.100 -0.143 0.000 1.031 276 Y CB 1.984 40.376 38.460 -0.113 0.000 1.246 276 Y HN 0.689 nan 8.280 nan 0.000 0.449 277 R N 4.501 124.776 120.500 -0.375 0.000 2.368 277 R HA 0.526 4.765 4.340 -0.168 0.000 0.302 277 R C -0.660 175.460 176.300 -0.299 0.000 1.002 277 R CA -0.506 55.350 56.100 -0.407 0.000 0.929 277 R CB 0.807 30.933 30.300 -0.290 0.000 1.073 277 R HN 0.911 nan 8.270 nan 0.000 0.464 278 R N 3.009 123.295 120.500 -0.356 0.000 2.659 278 R HA 0.214 4.454 4.340 -0.168 0.000 0.418 278 R C -0.570 175.602 176.300 -0.214 0.000 1.076 278 R CA -0.340 55.663 56.100 -0.161 0.000 1.093 278 R CB 0.425 30.682 30.300 -0.072 0.000 1.400 278 R HN 0.776 nan 8.270 nan 0.000 0.583 279 C N -1.966 117.153 119.300 -0.302 0.000 3.321 279 C HA 0.619 4.978 4.460 -0.168 0.000 0.363 279 C C -0.410 174.511 174.990 -0.114 0.000 1.705 279 C CA -1.578 57.299 59.018 -0.235 0.000 1.298 279 C CB 1.172 28.692 27.740 -0.367 0.000 2.086 279 C HN 0.355 nan 8.230 nan 0.000 0.438 280 R N 1.320 121.800 120.500 -0.033 0.000 2.502 280 R HA 0.461 4.700 4.340 -0.168 0.000 0.292 280 R C 0.179 176.534 176.300 0.091 0.000 0.998 280 R CA 0.969 57.106 56.100 0.062 0.000 1.056 280 R CB -0.186 30.191 30.300 0.128 0.000 0.939 280 R HN 1.238 nan 8.270 nan 0.000 0.411 281 A N 3.810 126.701 122.820 0.118 0.000 2.454 281 A HA 0.181 4.400 4.320 -0.168 0.000 0.260 281 A C 1.048 178.740 177.584 0.181 0.000 1.106 281 A CA 0.213 52.346 52.037 0.160 0.000 0.780 281 A CB 0.229 19.336 19.000 0.179 0.000 1.044 281 A HN 1.021 nan 8.150 nan 0.000 0.498 282 S N 2.125 117.948 115.700 0.206 0.000 2.489 282 S HA 0.082 4.451 4.470 -0.168 0.000 0.228 282 S C 1.074 175.790 174.600 0.193 0.000 0.995 282 S CA 0.725 59.047 58.200 0.204 0.000 0.934 282 S CB 0.083 63.410 63.200 0.213 0.000 0.771 282 S HN 1.277 nan 8.310 nan 0.000 0.522 283 G N 1.927 110.857 108.800 0.217 0.000 4.644 283 G HA2 0.526 4.385 3.960 -0.168 0.000 0.307 283 G HA3 0.526 4.385 3.960 -0.168 0.000 0.307 283 G C -0.151 174.881 174.900 0.219 0.000 1.331 283 G CA -0.135 45.093 45.100 0.212 0.000 1.059 283 G HN 0.544 nan 8.290 nan 0.000 0.590 284 V N -2.403 117.623 119.914 0.188 0.000 3.103 284 V HA 0.592 4.611 4.120 -0.168 0.000 0.318 284 V C 1.410 177.578 176.094 0.123 0.000 1.114 284 V CA -0.937 61.486 62.300 0.204 0.000 1.020 284 V CB 1.693 33.692 31.823 0.293 0.000 1.085 284 V HN 0.067 nan 8.190 nan 0.000 0.446 285 L N 2.253 123.559 121.223 0.139 0.000 2.083 285 L HA -0.050 4.189 4.340 -0.168 0.000 0.209 285 L C 2.340 179.211 176.870 0.002 0.000 1.083 285 L CA 3.056 57.948 54.840 0.087 0.000 0.752 285 L CB -0.768 41.371 42.059 0.132 0.000 0.899 285 L HN 1.091 nan 8.230 nan 0.000 0.433 286 T N -5.857 108.632 114.554 -0.109 0.000 3.129 286 T HA -0.003 4.246 4.350 -0.168 0.000 0.251 286 T C 1.580 176.247 174.700 -0.054 0.000 1.117 286 T CA 0.729 62.734 62.100 -0.158 0.000 1.034 286 T CB -0.691 67.929 68.868 -0.412 0.000 0.968 286 T HN 0.259 nan 8.240 nan 0.000 0.526 287 T N 2.264 116.818 114.554 -0.000 0.000 2.652 287 T HA -0.134 4.115 4.350 -0.168 0.000 0.267 287 T C 2.288 177.061 174.700 0.123 0.000 1.039 287 T CA 1.884 64.031 62.100 0.080 0.000 1.153 287 T CB -0.543 68.397 68.868 0.120 0.000 0.863 287 T HN 0.475 nan 8.240 nan 0.000 0.428 288 S N 0.027 115.798 115.700 0.118 0.000 2.357 288 S HA -0.100 4.269 4.470 -0.168 0.000 0.221 288 S C 2.405 177.127 174.600 0.202 0.000 1.031 288 S CA 0.899 59.200 58.200 0.168 0.000 0.982 288 S CB -0.681 62.573 63.200 0.090 0.000 0.853 288 S HN 0.674 nan 8.310 nan 0.000 0.458 289 C N 1.979 121.364 119.300 0.142 0.000 2.432 289 C HA -0.006 4.353 4.460 -0.168 0.000 0.277 289 C C 2.870 177.964 174.990 0.174 0.000 1.249 289 C CA 1.090 60.200 59.018 0.154 0.000 1.725 289 C CB -1.604 26.178 27.740 0.071 0.000 2.028 289 C HN 0.632 nan 8.230 nan 0.000 0.477 290 G N 0.546 109.446 108.800 0.167 0.000 2.446 290 G HA2 -0.239 3.621 3.960 -0.168 0.000 0.217 290 G HA3 -0.239 3.621 3.960 -0.168 0.000 0.217 290 G C 1.510 176.528 174.900 0.196 0.000 1.168 290 G CA 1.171 46.370 45.100 0.166 0.000 0.771 290 G HN 0.599 nan 8.290 nan 0.000 0.551 291 N N 0.375 119.200 118.700 0.208 0.000 2.120 291 N HA -0.078 4.561 4.740 -0.168 0.000 0.188 291 N C 2.418 177.998 175.510 0.117 0.000 1.024 291 N CA 1.626 54.799 53.050 0.206 0.000 0.852 291 N CB -0.782 37.730 38.487 0.041 0.000 1.003 291 N HN 0.253 nan 8.380 nan 0.000 0.424 292 T N 1.709 116.356 114.554 0.155 0.000 2.708 292 T HA -0.026 4.224 4.350 -0.168 0.000 0.266 292 T C 2.135 176.945 174.700 0.182 0.000 1.037 292 T CA 0.757 62.962 62.100 0.175 0.000 1.146 292 T CB -0.321 68.733 68.868 0.309 0.000 0.865 292 T HN 0.128 nan 8.240 nan 0.000 0.435 293 L N 0.598 121.915 121.223 0.155 0.000 2.046 293 L HA -0.120 4.119 4.340 -0.168 0.000 0.208 293 L C 2.946 179.928 176.870 0.187 0.000 1.077 293 L CA 1.255 56.171 54.840 0.126 0.000 0.747 293 L CB -0.998 41.094 42.059 0.055 0.000 0.896 293 L HN 0.277 nan 8.230 nan 0.000 0.432 294 T N -1.469 113.215 114.554 0.217 0.000 2.777 294 T HA -0.215 4.034 4.350 -0.168 0.000 0.266 294 T C 2.026 176.932 174.700 0.343 0.000 1.040 294 T CA 1.386 63.646 62.100 0.267 0.000 1.141 294 T CB -0.449 68.611 68.868 0.321 0.000 0.868 294 T HN 0.448 nan 8.240 nan 0.000 0.444 295 C N 0.719 120.263 119.300 0.406 0.000 2.432 295 C HA -0.109 4.250 4.460 -0.168 0.000 0.277 295 C C 2.386 177.522 174.990 0.243 0.000 1.249 295 C CA 0.624 59.852 59.018 0.348 0.000 1.725 295 C CB -1.398 26.413 27.740 0.119 0.000 2.028 295 C HN 0.651 nan 8.230 nan 0.000 0.477 296 Y N 0.970 121.332 120.300 0.103 0.000 2.128 296 Y HA -0.154 4.296 4.550 -0.167 0.000 0.284 296 Y C 2.205 178.127 175.900 0.037 0.000 1.154 296 Y CA 2.165 60.305 58.100 0.066 0.000 1.149 296 Y CB -0.654 37.834 38.460 0.046 0.000 0.976 296 Y HN 0.329 nan 8.280 nan 0.000 0.505 297 L N 1.189 122.483 121.223 0.119 0.000 1.990 297 L HA -0.241 3.998 4.340 -0.168 0.000 0.213 297 L C 2.162 178.932 176.870 -0.167 0.000 1.072 297 L CA 2.114 56.900 54.840 -0.090 0.000 0.755 297 L CB -0.981 41.013 42.059 -0.109 0.000 0.889 297 L HN 0.200 nan 8.230 nan 0.000 0.432 298 K N -0.605 119.788 120.400 -0.010 0.000 2.026 298 K HA -0.126 4.093 4.320 -0.168 0.000 0.208 298 K C 2.074 178.705 176.600 0.052 0.000 1.048 298 K CA 1.491 57.816 56.287 0.063 0.000 0.929 298 K CB -0.475 32.153 32.500 0.214 0.000 0.713 298 K HN 0.508 nan 8.250 nan 0.000 0.439 299 A N 1.552 124.376 122.820 0.006 0.000 1.873 299 A HA -0.098 4.121 4.320 -0.168 0.000 0.215 299 A C 2.405 179.993 177.584 0.006 0.000 1.186 299 A CA 1.792 53.844 52.037 0.026 0.000 0.616 299 A CB -0.763 18.324 19.000 0.145 0.000 0.823 299 A HN 0.335 nan 8.150 nan 0.000 0.442 300 A N -0.048 122.645 122.820 -0.213 0.000 1.908 300 A HA 0.091 4.310 4.320 -0.168 0.000 0.218 300 A C 2.510 180.028 177.584 -0.110 0.000 1.181 300 A CA 2.330 54.207 52.037 -0.266 0.000 0.627 300 A CB -1.049 17.599 19.000 -0.586 0.000 0.818 300 A HN 1.086 nan 8.150 nan 0.000 0.445 301 A N -0.278 122.494 122.820 -0.080 0.000 1.902 301 A HA 0.179 4.398 4.320 -0.168 0.000 0.217 301 A C 2.513 180.166 177.584 0.115 0.000 1.181 301 A CA 2.072 54.135 52.037 0.043 0.000 0.623 301 A CB -1.022 17.987 19.000 0.015 0.000 0.818 301 A HN 1.092 nan 8.150 nan 0.000 0.443 302 A N -0.900 121.983 122.820 0.106 0.000 1.933 302 A HA -0.177 4.042 4.320 -0.168 0.000 0.218 302 A C 2.294 179.912 177.584 0.057 0.000 1.175 302 A CA 1.662 53.622 52.037 -0.129 0.000 0.628 302 A CB -1.340 17.172 19.000 -0.815 0.000 0.814 302 A HN 0.602 nan 8.150 nan 0.000 0.444 303 C N -0.856 118.577 119.300 0.223 0.000 2.398 303 C HA -0.141 4.218 4.460 -0.168 0.000 0.276 303 C C 2.909 177.918 174.990 0.032 0.000 1.222 303 C CA 1.310 60.465 59.018 0.228 0.000 1.746 303 C CB -1.348 26.476 27.740 0.140 0.000 2.039 303 C HN 0.612 nan 8.230 nan 0.000 0.470 304 R N 0.904 121.339 120.500 -0.109 0.000 2.075 304 R HA -0.054 4.185 4.340 -0.168 0.000 0.232 304 R C 2.450 178.465 176.300 -0.476 0.000 1.126 304 R CA 1.478 57.392 56.100 -0.310 0.000 0.963 304 R CB -0.565 29.461 30.300 -0.456 0.000 0.858 304 R HN 0.537 nan 8.270 nan 0.000 0.435 305 A N 1.415 123.965 122.820 -0.450 0.000 1.908 305 A HA -0.130 4.089 4.320 -0.168 0.000 0.218 305 A C 2.258 179.810 177.584 -0.053 0.000 1.181 305 A CA 1.860 53.784 52.037 -0.189 0.000 0.627 305 A CB -0.527 18.465 19.000 -0.014 0.000 0.818 305 A HN 0.404 nan 8.150 nan 0.000 0.445 306 A N -1.706 121.110 122.820 -0.008 0.000 2.208 306 A HA 0.260 4.479 4.320 -0.168 0.000 0.209 306 A C 1.033 178.636 177.584 0.031 0.000 1.161 306 A CA 0.839 52.905 52.037 0.048 0.000 0.782 306 A CB -0.358 18.736 19.000 0.158 0.000 0.816 306 A HN 0.495 nan 8.150 nan 0.000 0.477 307 K N -1.352 119.048 120.400 0.000 0.000 3.071 307 K HA -0.158 4.061 4.320 -0.168 0.000 0.265 307 K C -0.965 175.643 176.600 0.014 0.000 1.060 307 K CA 0.197 56.485 56.287 0.000 0.000 0.767 307 K CB -1.842 30.663 32.500 0.008 0.000 1.241 307 K HN 0.332 nan 8.250 nan 0.000 0.486 308 L N 1.570 122.812 121.223 0.031 0.000 2.485 308 L HA -0.002 4.238 4.340 -0.168 0.000 0.275 308 L C 0.981 177.857 176.870 0.010 0.000 1.207 308 L CA 1.014 55.872 54.840 0.030 0.000 0.855 308 L CB 0.442 42.534 42.059 0.055 0.000 1.114 308 L HN 0.081 nan 8.230 nan 0.000 0.485 309 Q N 2.146 121.946 119.800 -0.000 0.000 2.278 309 Q HA 0.147 4.386 4.340 -0.168 0.000 0.257 309 Q C -0.178 175.807 176.000 -0.024 0.000 0.928 309 Q CA -0.448 55.348 55.803 -0.012 0.000 0.932 309 Q CB 1.011 29.740 28.738 -0.015 0.000 1.221 309 Q HN 0.549 nan 8.270 nan 0.000 0.434 310 D N 0.910 121.296 120.400 -0.023 0.000 2.697 310 D HA -0.183 4.356 4.640 -0.168 0.000 0.238 310 D C -1.066 175.211 176.300 -0.038 0.000 1.152 310 D CA 0.243 54.224 54.000 -0.031 0.000 0.666 310 D CB -0.872 39.900 40.800 -0.047 0.000 1.037 310 D HN 0.523 nan 8.370 nan 0.000 0.423 311 C N 1.095 120.380 119.300 -0.024 0.000 2.648 311 C HA 0.382 4.741 4.460 -0.168 0.000 0.419 311 C C 0.975 175.955 174.990 -0.016 0.000 1.352 311 C CA -0.095 58.906 59.018 -0.030 0.000 1.816 311 C CB 0.189 27.918 27.740 -0.017 0.000 2.598 311 C HN 0.448 nan 8.230 nan 0.000 0.598 312 T N 6.352 120.887 114.554 -0.031 0.000 2.758 312 T HA 0.448 4.697 4.350 -0.168 0.000 0.285 312 T C -0.176 174.540 174.700 0.027 0.000 0.981 312 T CA -0.141 61.970 62.100 0.018 0.000 0.965 312 T CB 0.639 69.486 68.868 -0.035 0.000 0.927 312 T HN 0.531 nan 8.240 nan 0.000 0.448 313 M N 3.409 123.062 119.600 0.089 0.000 2.404 313 M HA 0.573 4.952 4.480 -0.168 0.000 0.338 313 M C -1.126 175.249 176.300 0.125 0.000 1.150 313 M CA -1.056 54.281 55.300 0.062 0.000 1.016 313 M CB 1.783 34.425 32.600 0.071 0.000 1.672 313 M HN 0.295 nan 8.290 nan 0.000 0.448 314 L N 3.419 124.668 121.223 0.045 0.000 2.381 314 L HA 0.675 4.914 4.340 -0.168 0.000 0.274 314 L C -1.353 175.471 176.870 -0.077 0.000 0.988 314 L CA -0.526 54.299 54.840 -0.025 0.000 0.824 314 L CB 1.970 44.001 42.059 -0.046 0.000 1.263 314 L HN 0.476 nan 8.230 nan 0.000 0.410 315 V N 3.831 123.685 119.914 -0.100 0.000 2.483 315 V HA 0.426 4.446 4.120 -0.168 0.000 0.297 315 V C -0.721 175.179 176.094 -0.323 0.000 1.027 315 V CA -0.541 61.693 62.300 -0.110 0.000 0.855 315 V CB 1.603 33.468 31.823 0.071 0.000 0.995 315 V HN 0.824 nan 8.190 nan 0.000 0.424 316 C N 4.985 124.023 119.300 -0.436 0.000 2.409 316 C HA 0.766 5.125 4.460 -0.168 0.000 0.297 316 C C 1.327 176.149 174.990 -0.281 0.000 1.083 316 C CA 0.240 58.763 59.018 -0.826 0.000 1.515 316 C CB -0.461 26.684 27.740 -0.993 0.000 1.869 316 C HN 1.385 nan 8.230 nan 0.000 0.413 317 G N 4.542 113.359 108.800 0.029 0.000 2.591 317 G HA2 -0.304 3.555 3.960 -0.168 0.000 0.298 317 G HA3 -0.304 3.555 3.960 -0.168 0.000 0.298 317 G C 0.728 175.475 174.900 -0.254 0.000 1.195 317 G CA 0.903 46.028 45.100 0.041 0.000 0.989 317 G HN 0.705 nan 8.290 nan 0.000 0.551 318 D N 1.511 121.658 120.400 -0.421 0.000 2.340 318 D HA 0.131 4.670 4.640 -0.168 0.000 0.220 318 D C 0.072 176.221 176.300 -0.251 0.000 1.039 318 D CA 0.753 54.347 54.000 -0.677 0.000 0.866 318 D CB -0.162 40.181 40.800 -0.761 0.000 0.913 318 D HN 0.439 nan 8.370 nan 0.000 0.523 319 D N 0.858 121.150 120.400 -0.180 0.000 2.274 319 D HA 0.324 4.863 4.640 -0.168 0.000 0.239 319 D C -0.557 175.693 176.300 -0.084 0.000 1.104 319 D CA -0.489 53.446 54.000 -0.108 0.000 0.840 319 D CB 2.154 42.865 40.800 -0.149 0.000 1.100 319 D HN 0.105 nan 8.370 nan 0.000 0.477 320 L N 2.936 124.158 121.223 -0.002 0.000 2.385 320 L HA 0.465 4.704 4.340 -0.168 0.000 0.273 320 L C -1.462 175.377 176.870 -0.050 0.000 0.990 320 L CA -0.643 54.202 54.840 0.008 0.000 0.821 320 L CB 2.112 44.249 42.059 0.130 0.000 1.279 320 L HN 0.077 nan 8.230 nan 0.000 0.412 321 V N 5.198 125.036 119.914 -0.127 0.000 2.604 321 V HA 0.656 4.675 4.120 -0.168 0.000 0.305 321 V C -0.691 175.212 176.094 -0.318 0.000 1.043 321 V CA -0.672 61.489 62.300 -0.233 0.000 0.888 321 V CB 2.122 33.849 31.823 -0.160 0.000 0.995 321 V HN 0.551 nan 8.190 nan 0.000 0.429 322 V N 5.850 125.383 119.914 -0.635 0.000 2.495 322 V HA 0.569 4.588 4.120 -0.168 0.000 0.298 322 V C -0.402 175.439 176.094 -0.421 0.000 1.031 322 V CA -0.441 61.507 62.300 -0.587 0.000 0.871 322 V CB 1.888 33.163 31.823 -0.913 0.000 0.988 322 V HN 0.679 nan 8.190 nan 0.000 0.432 323 I N 4.955 125.412 120.570 -0.189 0.000 2.433 323 I HA 0.713 4.782 4.170 -0.168 0.000 0.292 323 I C -0.093 175.958 176.117 -0.110 0.000 1.001 323 I CA -0.335 60.914 61.300 -0.085 0.000 1.119 323 I CB 1.717 39.723 38.000 0.010 0.000 1.289 323 I HN 0.885 nan 8.210 nan 0.000 0.438 324 C N 2.476 121.706 119.300 -0.117 0.000 3.340 324 C HA 0.563 4.922 4.460 -0.168 0.000 0.333 324 C C -0.741 174.172 174.990 -0.128 0.000 1.464 324 C CA -0.900 58.059 59.018 -0.098 0.000 1.337 324 C CB 1.918 29.634 27.740 -0.041 0.000 1.740 324 C HN 0.639 nan 8.230 nan 0.000 0.450 325 E N 1.804 121.948 120.200 -0.093 0.000 2.194 325 E HA 0.292 4.541 4.350 -0.168 0.000 0.284 325 E C 0.083 176.658 176.600 -0.042 0.000 1.035 325 E CA 0.444 56.790 56.400 -0.090 0.000 0.836 325 E CB 1.745 31.402 29.700 -0.071 0.000 1.070 325 E HN 0.718 nan 8.360 nan 0.000 0.401 326 S N 1.863 117.549 115.700 -0.022 0.000 2.560 326 S HA 0.189 4.558 4.470 -0.168 0.000 0.284 326 S C 0.636 175.250 174.600 0.023 0.000 1.327 326 S CA 0.150 58.382 58.200 0.053 0.000 1.055 326 S CB 0.558 63.843 63.200 0.142 0.000 0.868 326 S HN 0.541 nan 8.310 nan 0.000 0.506 327 A N 3.513 126.353 122.820 0.034 0.000 2.465 327 A HA 0.636 4.855 4.320 -0.168 0.000 0.255 327 A C 0.936 178.527 177.584 0.012 0.000 1.274 327 A CA 0.291 52.337 52.037 0.014 0.000 0.920 327 A CB -0.906 18.101 19.000 0.012 0.000 1.033 327 A HN 1.875 nan 8.150 nan 0.000 0.516 328 G N -1.862 106.950 108.800 0.019 0.000 2.587 328 G HA2 -0.021 3.838 3.960 -0.168 0.000 0.686 328 G HA3 -0.021 3.838 3.960 -0.168 0.000 0.686 328 G C 0.360 175.276 174.900 0.027 0.000 1.236 328 G CA -0.207 44.890 45.100 -0.005 0.000 0.820 328 G HN 0.341 nan 8.290 nan 0.000 0.645 329 T N 0.830 115.376 114.554 -0.013 0.000 2.674 329 T HA -0.139 4.110 4.350 -0.168 0.000 0.265 329 T C 2.455 177.187 174.700 0.053 0.000 1.039 329 T CA 2.178 64.299 62.100 0.034 0.000 1.150 329 T CB -0.209 68.637 68.868 -0.037 0.000 0.864 329 T HN 0.556 nan 8.240 nan 0.000 0.427 330 Q N 0.943 120.755 119.800 0.019 0.000 2.119 330 Q HA -0.038 4.201 4.340 -0.168 0.000 0.201 330 Q C 2.315 178.324 176.000 0.017 0.000 0.972 330 Q CA 1.235 57.047 55.803 0.016 0.000 0.847 330 Q CB -0.418 28.323 28.738 0.004 0.000 0.903 330 Q HN 0.570 nan 8.270 nan 0.000 0.433 331 E N 1.044 121.254 120.200 0.017 0.000 2.077 331 E HA -0.153 4.096 4.350 -0.168 0.000 0.193 331 E C 1.621 178.233 176.600 0.020 0.000 0.989 331 E CA 1.246 57.656 56.400 0.015 0.000 0.800 331 E CB -0.102 29.607 29.700 0.014 0.000 0.746 331 E HN 0.305 nan 8.360 nan 0.000 0.452 332 D N 0.494 120.919 120.400 0.042 0.000 2.117 332 D HA -0.131 4.408 4.640 -0.168 0.000 0.198 332 D C 1.674 177.969 176.300 -0.008 0.000 0.982 332 D CA 0.913 54.935 54.000 0.038 0.000 0.828 332 D CB -0.197 40.678 40.800 0.124 0.000 0.967 332 D HN 0.291 nan 8.370 nan 0.000 0.464 333 E N 0.677 120.884 120.200 0.011 0.000 2.085 333 E HA -0.157 4.092 4.350 -0.168 0.000 0.194 333 E C 2.094 178.678 176.600 -0.026 0.000 0.994 333 E CA 1.115 57.507 56.400 -0.014 0.000 0.801 333 E CB -0.064 29.640 29.700 0.008 0.000 0.743 333 E HN 0.204 nan 8.360 nan 0.000 0.453 334 A N 0.954 123.767 122.820 -0.011 0.000 1.902 334 A HA -0.179 4.040 4.320 -0.168 0.000 0.217 334 A C 2.352 179.929 177.584 -0.011 0.000 1.181 334 A CA 1.681 53.713 52.037 -0.009 0.000 0.623 334 A CB -0.454 18.545 19.000 -0.001 0.000 0.818 334 A HN 0.131 nan 8.150 nan 0.000 0.443 335 S N -0.221 115.470 115.700 -0.015 0.000 2.368 335 S HA -0.124 4.245 4.470 -0.168 0.000 0.225 335 S C 1.748 176.332 174.600 -0.028 0.000 1.030 335 S CA 1.507 59.702 58.200 -0.009 0.000 0.999 335 S CB -0.388 62.806 63.200 -0.010 0.000 0.844 335 S HN 0.352 nan 8.310 nan 0.000 0.459 336 L N 1.548 122.700 121.223 -0.119 0.000 2.083 336 L HA 0.019 4.258 4.340 -0.168 0.000 0.209 336 L C 2.456 179.299 176.870 -0.045 0.000 1.083 336 L CA 1.511 56.218 54.840 -0.222 0.000 0.752 336 L CB -0.602 41.227 42.059 -0.384 0.000 0.899 336 L HN 0.183 nan 8.230 nan 0.000 0.433 337 R N -1.061 119.424 120.500 -0.027 0.000 2.081 337 R HA -0.124 4.115 4.340 -0.168 0.000 0.235 337 R C 2.252 178.562 176.300 0.016 0.000 1.131 337 R CA 1.307 57.409 56.100 0.003 0.000 0.960 337 R CB -0.520 29.776 30.300 -0.007 0.000 0.856 337 R HN 0.387 nan 8.270 nan 0.000 0.436 338 A N 0.629 123.460 122.820 0.018 0.000 1.902 338 A HA -0.190 4.029 4.320 -0.168 0.000 0.217 338 A C 1.944 179.536 177.584 0.013 0.000 1.181 338 A CA 1.038 53.081 52.037 0.010 0.000 0.623 338 A CB -0.624 18.386 19.000 0.017 0.000 0.818 338 A HN 0.362 nan 8.150 nan 0.000 0.443 339 F N 1.378 121.273 119.950 -0.092 0.000 2.095 339 F HA -0.186 4.240 4.527 -0.169 0.000 0.298 339 F C 2.508 178.236 175.800 -0.120 0.000 1.104 339 F CA 2.394 60.333 58.000 -0.102 0.000 1.232 339 F CB -0.549 38.389 39.000 -0.102 0.000 0.987 339 F HN 0.213 nan 8.300 nan 0.000 0.475 340 T N -0.089 114.527 114.554 0.103 0.000 2.746 340 T HA -0.192 4.057 4.350 -0.168 0.000 0.267 340 T C 1.717 176.386 174.700 -0.051 0.000 1.039 340 T CA 1.708 63.870 62.100 0.103 0.000 1.142 340 T CB -0.351 68.645 68.868 0.213 0.000 0.866 340 T HN 0.378 nan 8.240 nan 0.000 0.444 341 E N 0.964 121.119 120.200 -0.076 0.000 2.085 341 E HA -0.101 4.148 4.350 -0.168 0.000 0.194 341 E C 2.543 178.999 176.600 -0.240 0.000 0.994 341 E CA 1.082 57.413 56.400 -0.116 0.000 0.801 341 E CB -0.217 29.433 29.700 -0.085 0.000 0.743 341 E HN 0.488 nan 8.360 nan 0.000 0.453 342 A N 1.119 123.732 122.820 -0.345 0.000 1.873 342 A HA -0.181 4.038 4.320 -0.168 0.000 0.215 342 A C 2.161 179.239 177.584 -0.843 0.000 1.186 342 A CA 1.256 52.921 52.037 -0.621 0.000 0.616 342 A CB -0.334 18.348 19.000 -0.531 0.000 0.823 342 A HN 0.119 nan 8.150 nan 0.000 0.442 343 M N -0.170 119.067 119.600 -0.605 0.000 2.149 343 M HA -0.130 4.249 4.480 -0.168 0.000 0.261 343 M C 2.188 178.388 176.300 -0.167 0.000 1.064 343 M CA 2.070 57.148 55.300 -0.369 0.000 1.102 343 M CB -1.943 30.361 32.600 -0.492 0.000 1.369 343 M HN 0.461 nan 8.290 nan 0.000 0.408 344 T N 0.163 114.628 114.554 -0.148 0.000 2.708 344 T HA -0.126 4.123 4.350 -0.168 0.000 0.266 344 T C 1.974 176.612 174.700 -0.102 0.000 1.037 344 T CA 1.178 63.236 62.100 -0.070 0.000 1.146 344 T CB -0.215 68.624 68.868 -0.048 0.000 0.865 344 T HN 0.382 nan 8.240 nan 0.000 0.435 345 R N 0.097 120.471 120.500 -0.210 0.000 2.105 345 R HA -0.089 4.150 4.340 -0.168 0.000 0.239 345 R C 1.863 178.125 176.300 -0.062 0.000 1.135 345 R CA 1.275 57.267 56.100 -0.181 0.000 0.967 345 R CB -0.368 29.761 30.300 -0.284 0.000 0.861 345 R HN 0.445 nan 8.270 nan 0.000 0.442 346 Y N 0.149 120.404 120.300 -0.075 0.000 2.578 346 Y HA 0.079 4.528 4.550 -0.168 0.000 0.297 346 Y C 0.913 176.772 175.900 -0.068 0.000 1.176 346 Y CA -0.312 57.734 58.100 -0.090 0.000 1.315 346 Y CB -0.345 38.090 38.460 -0.042 0.000 1.031 346 Y HN -0.039 nan 8.280 nan 0.000 0.524 347 S N -0.181 115.562 115.700 0.072 0.000 3.884 347 S HA -0.098 4.271 4.470 -0.168 0.000 0.374 347 S C 0.001 174.614 174.600 0.023 0.000 0.971 347 S CA 0.456 58.677 58.200 0.035 0.000 1.152 347 S CB -1.410 61.798 63.200 0.014 0.000 0.877 347 S HN 0.695 nan 8.310 nan 0.000 0.491 348 A N 1.902 124.760 122.820 0.064 0.000 3.453 348 A HA 0.577 4.796 4.320 -0.168 0.000 0.262 348 A C -2.413 175.297 177.584 0.210 0.000 1.026 348 A CA -0.811 51.300 52.037 0.124 0.000 0.938 348 A CB 0.903 20.020 19.000 0.195 0.000 1.246 348 A HN 0.413 nan 8.150 nan 0.000 0.546 349 P HA 0.339 nan 4.420 nan 0.000 0.274 349 P C -2.924 174.434 177.300 0.096 0.000 1.231 349 P CA -1.143 62.017 63.100 0.100 0.000 0.790 349 P CB 0.750 32.443 31.700 -0.012 0.000 0.951 350 P HA 0.128 nan 4.420 nan 0.000 0.279 350 P C 0.714 177.939 177.300 -0.125 0.000 1.252 350 P CA -0.044 62.953 63.100 -0.171 0.000 0.811 350 P CB 0.920 32.488 31.700 -0.219 0.000 1.035 351 G N 1.441 110.155 108.800 -0.144 0.000 2.654 351 G HA2 -0.014 3.845 3.960 -0.168 0.000 0.215 351 G HA3 -0.014 3.845 3.960 -0.168 0.000 0.215 351 G C -0.122 174.723 174.900 -0.092 0.000 1.310 351 G CA 0.247 45.291 45.100 -0.094 0.000 0.866 351 G HN 0.482 nan 8.290 nan 0.000 0.558 352 D N 2.164 122.506 120.400 -0.097 0.000 2.225 352 D HA 0.330 4.869 4.640 -0.168 0.000 0.248 352 D C -2.179 174.062 176.300 -0.098 0.000 1.096 352 D CA -1.034 52.920 54.000 -0.077 0.000 0.863 352 D CB 1.549 42.315 40.800 -0.056 0.000 1.156 352 D HN 0.073 nan 8.370 nan 0.000 0.450 353 P HA 0.120 nan 4.420 nan 0.000 0.269 353 P C -2.391 174.890 177.300 -0.033 0.000 1.209 353 P CA -0.977 62.097 63.100 -0.044 0.000 0.776 353 P CB -0.340 31.350 31.700 -0.017 0.000 0.876 354 P HA 0.166 nan 4.420 nan 0.000 0.272 354 P C -0.367 176.903 177.300 -0.050 0.000 1.223 354 P CA 0.203 63.313 63.100 0.017 0.000 0.784 354 P CB 0.809 32.537 31.700 0.048 0.000 0.923 355 K N 2.536 122.927 120.400 -0.015 0.000 2.345 355 K HA 0.396 4.615 4.320 -0.168 0.000 0.255 355 K C -2.497 174.088 176.600 -0.026 0.000 0.934 355 K CA -2.026 54.246 56.287 -0.024 0.000 0.801 355 K CB 2.158 34.660 32.500 0.004 0.000 1.137 355 K HN 0.346 nan 8.250 nan 0.000 0.424 356 P HA 0.129 nan 4.420 nan 0.000 0.276 356 P C -0.756 176.406 177.300 -0.228 0.000 1.235 356 P CA -0.063 62.944 63.100 -0.155 0.000 0.772 356 P CB 0.955 32.559 31.700 -0.161 0.000 0.871 357 E N 2.338 122.365 120.200 -0.288 0.000 2.238 357 E HA 0.222 4.471 4.350 -0.168 0.000 0.267 357 E C -0.522 175.915 176.600 -0.272 0.000 0.887 357 E CA -0.474 55.817 56.400 -0.182 0.000 0.769 357 E CB 1.504 31.182 29.700 -0.037 0.000 1.187 357 E HN 0.448 nan 8.360 nan 0.000 0.416 358 Y N -0.204 120.238 120.300 0.237 0.000 2.557 358 Y HA 0.170 4.620 4.550 -0.168 0.000 0.247 358 Y C 0.241 176.397 175.900 0.426 0.000 1.164 358 Y CA -0.383 57.915 58.100 0.331 0.000 1.218 358 Y CB 1.037 39.595 38.460 0.163 0.000 1.210 358 Y HN 0.260 nan 8.280 nan 0.000 0.529 359 D N 0.444 121.024 120.400 0.299 0.000 2.549 359 D HA 0.116 4.655 4.640 -0.168 0.000 0.251 359 D C 0.649 176.724 176.300 -0.374 0.000 1.153 359 D CA -0.318 53.720 54.000 0.064 0.000 0.861 359 D CB 1.946 42.775 40.800 0.047 0.000 1.207 359 D HN 0.132 nan 8.370 nan 0.000 0.543 360 L N 4.390 125.042 121.223 -0.951 0.000 2.079 360 L HA -0.090 4.149 4.340 -0.168 0.000 0.210 360 L C 1.571 178.088 176.870 -0.588 0.000 1.081 360 L CA 1.958 56.017 54.840 -1.301 0.000 0.752 360 L CB -0.262 40.832 42.059 -1.608 0.000 0.896 360 L HN 0.508 nan 8.230 nan 0.000 0.433 361 E N -0.809 119.171 120.200 -0.368 0.000 2.418 361 E HA -0.108 4.141 4.350 -0.168 0.000 0.197 361 E C 1.860 178.364 176.600 -0.160 0.000 1.026 361 E CA 0.533 56.804 56.400 -0.214 0.000 0.862 361 E CB -0.098 29.526 29.700 -0.127 0.000 0.799 361 E HN 0.542 nan 8.360 nan 0.000 0.518 362 L N 0.770 121.896 121.223 -0.162 0.000 2.607 362 L HA 0.210 4.449 4.340 -0.168 0.000 0.228 362 L C 0.655 177.467 176.870 -0.098 0.000 1.123 362 L CA -0.126 54.656 54.840 -0.098 0.000 0.890 362 L CB 0.218 42.245 42.059 -0.054 0.000 1.103 362 L HN 0.045 nan 8.230 nan 0.000 0.468 363 I N 0.196 120.679 120.570 -0.146 0.000 2.371 363 I HA 0.091 4.160 4.170 -0.168 0.000 0.290 363 I C 0.074 176.134 176.117 -0.094 0.000 1.028 363 I CA 0.274 61.506 61.300 -0.114 0.000 1.345 363 I CB 1.334 39.243 38.000 -0.152 0.000 1.407 363 I HN -0.083 nan 8.210 nan 0.000 0.501 364 T N 4.858 119.376 114.554 -0.060 0.000 2.779 364 T HA 0.428 4.677 4.350 -0.168 0.000 0.280 364 T C -0.419 174.256 174.700 -0.041 0.000 0.987 364 T CA -0.514 61.558 62.100 -0.047 0.000 0.966 364 T CB 1.282 70.129 68.868 -0.034 0.000 0.933 364 T HN 0.595 nan 8.240 nan 0.000 0.442 365 S N 1.210 116.885 115.700 -0.043 0.000 2.536 365 S HA 0.378 4.747 4.470 -0.168 0.000 0.271 365 S C 0.103 174.679 174.600 -0.041 0.000 1.134 365 S CA -0.543 57.627 58.200 -0.050 0.000 0.897 365 S CB 0.570 63.724 63.200 -0.076 0.000 1.094 365 S HN 0.977 nan 8.310 nan 0.000 0.473 366 C N 3.261 122.531 119.300 -0.049 0.000 4.114 366 C HA -0.151 4.208 4.460 -0.168 0.000 0.300 366 C C 1.232 176.246 174.990 0.040 0.000 1.423 366 C CA 0.823 59.822 59.018 -0.032 0.000 2.034 366 C CB -3.281 24.422 27.740 -0.062 0.000 1.299 366 C HN 1.515 nan 8.230 nan 0.000 0.727 367 S N -2.216 113.501 115.700 0.028 0.000 3.270 367 S HA -0.196 4.173 4.470 -0.168 0.000 0.293 367 S C 0.266 174.901 174.600 0.059 0.000 1.278 367 S CA 1.309 59.535 58.200 0.043 0.000 1.038 367 S CB -0.955 62.286 63.200 0.068 0.000 1.218 367 S HN 1.036 nan 8.310 nan 0.000 0.659 368 S N 2.049 117.789 115.700 0.067 0.000 2.599 368 S HA 0.753 5.122 4.470 -0.168 0.000 0.294 368 S C -0.295 174.319 174.600 0.024 0.000 1.094 368 S CA -0.906 57.356 58.200 0.105 0.000 0.931 368 S CB 1.750 65.072 63.200 0.204 0.000 1.093 368 S HN 0.588 nan 8.310 nan 0.000 0.488 369 N N -0.472 118.234 118.700 0.010 0.000 2.357 369 N HA 0.463 5.102 4.740 -0.168 0.000 0.284 369 N C -1.458 173.994 175.510 -0.096 0.000 1.236 369 N CA -0.620 52.395 53.050 -0.059 0.000 0.774 369 N CB 1.069 39.511 38.487 -0.075 0.000 1.534 369 N HN 0.318 nan 8.380 nan 0.000 0.478 370 V N 0.495 120.321 119.914 -0.147 0.000 2.583 370 V HA 0.387 4.407 4.120 -0.168 0.000 0.287 370 V C 0.523 176.484 176.094 -0.222 0.000 1.051 370 V CA 0.006 62.197 62.300 -0.182 0.000 1.010 370 V CB 0.908 32.627 31.823 -0.174 0.000 0.988 370 V HN 0.852 nan 8.190 nan 0.000 0.478 371 S N 2.784 118.249 115.700 -0.391 0.000 2.732 371 S HA 0.813 5.182 4.470 -0.168 0.000 0.293 371 S C -1.287 173.138 174.600 -0.292 0.000 1.159 371 S CA -0.476 57.514 58.200 -0.350 0.000 0.847 371 S CB 2.069 65.036 63.200 -0.389 0.000 1.169 371 S HN 0.653 nan 8.310 nan 0.000 0.501 372 V N 0.922 120.773 119.914 -0.105 0.000 2.789 372 V HA 0.977 4.997 4.120 -0.168 0.000 0.311 372 V C -0.360 175.707 176.094 -0.045 0.000 1.073 372 V CA 0.293 62.482 62.300 -0.185 0.000 0.921 372 V CB 1.254 32.831 31.823 -0.409 0.000 1.009 372 V HN 1.301 nan 8.190 nan 0.000 0.426 373 A N 4.668 127.355 122.820 -0.222 0.000 2.535 373 A HA 0.872 5.091 4.320 -0.168 0.000 0.296 373 A C -1.291 175.951 177.584 -0.571 0.000 1.248 373 A CA -0.593 51.224 52.037 -0.367 0.000 0.686 373 A CB 1.742 20.377 19.000 -0.607 0.000 1.315 373 A HN 0.923 nan 8.150 nan 0.000 0.460 374 H N 0.077 118.802 119.070 -0.576 0.000 2.690 374 H HA 0.436 4.892 4.556 -0.168 0.000 0.368 374 H C -1.164 173.738 175.328 -0.710 0.000 1.150 374 H CA -0.276 55.423 56.048 -0.582 0.000 1.174 374 H CB 2.060 31.503 29.762 -0.532 0.000 1.684 374 H HN 0.910 nan 8.280 nan 0.000 0.538 375 D N 0.163 120.421 120.400 -0.235 0.000 2.549 375 D HA 0.249 4.788 4.640 -0.168 0.000 0.270 375 D C 1.133 177.494 176.300 0.103 0.000 1.181 375 D CA -0.548 53.392 54.000 -0.100 0.000 1.070 375 D CB 0.377 41.137 40.800 -0.065 0.000 1.154 375 D HN 0.441 nan 8.370 nan 0.000 0.602 376 A N -0.412 122.481 122.820 0.122 0.000 2.076 376 A HA -0.104 4.115 4.320 -0.168 0.000 0.220 376 A C 1.887 179.536 177.584 0.109 0.000 1.160 376 A CA 2.095 54.214 52.037 0.137 0.000 0.653 376 A CB -1.001 18.053 19.000 0.090 0.000 0.801 376 A HN 0.606 nan 8.150 nan 0.000 0.455 377 S N -2.261 113.494 115.700 0.090 0.000 2.575 377 S HA 0.390 4.759 4.470 -0.168 0.000 0.215 377 S C 1.380 176.033 174.600 0.088 0.000 0.966 377 S CA 1.026 59.270 58.200 0.072 0.000 0.911 377 S CB -0.232 63.000 63.200 0.054 0.000 0.780 377 S HN 1.879 nan 8.310 nan 0.000 0.514 378 G N 1.295 110.178 108.800 0.138 0.000 2.179 378 G HA2 -0.312 3.547 3.960 -0.168 0.000 0.260 378 G HA3 -0.312 3.547 3.960 -0.168 0.000 0.260 378 G C -0.026 174.995 174.900 0.201 0.000 0.977 378 G CA 0.360 45.555 45.100 0.157 0.000 0.641 378 G HN 0.755 nan 8.290 nan 0.000 0.533 379 K N 0.750 121.223 120.400 0.121 0.000 2.350 379 K HA 0.402 4.621 4.320 -0.168 0.000 0.279 379 K C 0.894 177.466 176.600 -0.046 0.000 1.027 379 K CA -0.730 55.597 56.287 0.067 0.000 0.969 379 K CB 0.353 32.863 32.500 0.017 0.000 0.954 379 K HN 0.294 nan 8.250 nan 0.000 0.474 380 R N 2.883 123.276 120.500 -0.177 0.000 2.489 380 R HA 0.128 4.367 4.340 -0.168 0.000 0.287 380 R C -1.215 174.848 176.300 -0.396 0.000 1.053 380 R CA -0.230 55.508 56.100 -0.604 0.000 1.036 380 R CB 0.524 30.543 30.300 -0.467 0.000 0.966 380 R HN 0.336 nan 8.270 nan 0.000 0.432 381 V N 5.962 125.583 119.914 -0.489 0.000 2.577 381 V HA 0.293 4.312 4.120 -0.168 0.000 0.303 381 V C -1.099 174.826 176.094 -0.282 0.000 1.042 381 V CA -0.813 61.332 62.300 -0.259 0.000 0.872 381 V CB 1.485 33.196 31.823 -0.187 0.000 0.998 381 V HN 0.663 nan 8.190 nan 0.000 0.423 382 Y N 4.846 125.143 120.300 -0.005 0.000 2.320 382 Y HA 0.720 5.168 4.550 -0.170 0.000 0.324 382 Y C -0.026 175.957 175.900 0.139 0.000 1.190 382 Y CA -0.256 57.858 58.100 0.023 0.000 1.215 382 Y CB 1.489 39.917 38.460 -0.054 0.000 1.221 382 Y HN 0.739 nan 8.280 nan 0.000 0.486 383 Y N -0.968 119.395 120.300 0.105 0.000 2.656 383 Y HA 0.686 5.134 4.550 -0.169 0.000 0.334 383 Y C -2.220 173.744 175.900 0.107 0.000 1.179 383 Y CA -2.104 56.045 58.100 0.082 0.000 1.050 383 Y CB 0.644 39.122 38.460 0.030 0.000 1.308 383 Y HN 0.422 nan 8.280 nan 0.000 0.456 384 L N 2.603 123.898 121.223 0.121 0.000 2.292 384 L HA 0.695 4.934 4.340 -0.168 0.000 0.284 384 L C 0.305 177.366 176.870 0.319 0.000 1.065 384 L CA -0.289 54.614 54.840 0.104 0.000 0.806 384 L CB 1.672 43.819 42.059 0.146 0.000 1.175 384 L HN 0.972 nan 8.230 nan 0.000 0.431 385 T N 2.724 117.414 114.554 0.227 0.000 2.742 385 T HA 0.822 5.071 4.350 -0.168 0.000 0.282 385 T C -1.202 173.620 174.700 0.203 0.000 1.025 385 T CA -0.667 61.645 62.100 0.353 0.000 1.020 385 T CB 1.631 70.681 68.868 0.304 0.000 1.317 385 T HN 0.791 nan 8.240 nan 0.000 0.538 386 R N 0.493 121.035 120.500 0.069 0.000 2.712 386 R HA 0.436 4.675 4.340 -0.168 0.000 0.272 386 R C -1.471 174.647 176.300 -0.303 0.000 1.032 386 R CA -0.982 55.044 56.100 -0.124 0.000 0.874 386 R CB 0.472 30.639 30.300 -0.222 0.000 1.256 386 R HN 0.544 nan 8.270 nan 0.000 0.468 387 D N 1.783 122.013 120.400 -0.284 0.000 2.487 387 D HA 0.030 4.569 4.640 -0.168 0.000 0.243 387 D C -1.377 174.548 176.300 -0.626 0.000 1.154 387 D CA -1.103 52.679 54.000 -0.363 0.000 0.876 387 D CB 1.242 41.913 40.800 -0.214 0.000 1.161 387 D HN 0.327 nan 8.370 nan 0.000 0.478 388 P HA 0.010 nan 4.420 nan 0.000 0.245 388 P C 1.152 178.126 177.300 -0.544 0.000 1.212 388 P CA 0.215 62.630 63.100 -1.142 0.000 0.774 388 P CB 0.252 31.195 31.700 -1.261 0.000 0.999 389 T N -0.340 114.011 114.554 -0.338 0.000 2.607 389 T HA -0.155 4.094 4.350 -0.168 0.000 0.267 389 T C 1.720 176.349 174.700 -0.118 0.000 1.049 389 T CA 2.443 64.441 62.100 -0.170 0.000 1.162 389 T CB -1.273 67.537 68.868 -0.095 0.000 0.863 389 T HN 0.190 nan 8.240 nan 0.000 0.424 390 T N 2.304 116.795 114.554 -0.106 0.000 2.708 390 T HA -0.058 4.191 4.350 -0.168 0.000 0.266 390 T C -0.519 174.140 174.700 -0.069 0.000 1.037 390 T CA 1.265 63.328 62.100 -0.062 0.000 1.146 390 T CB -1.325 67.537 68.868 -0.009 0.000 0.865 390 T HN 0.332 nan 8.240 nan 0.000 0.435 391 P HA -0.062 nan 4.420 nan 0.000 0.216 391 P C 1.505 178.846 177.300 0.068 0.000 1.154 391 P CA 1.055 64.165 63.100 0.017 0.000 0.865 391 P CB -0.204 31.485 31.700 -0.019 0.000 0.789 392 L N -1.613 119.603 121.223 -0.012 0.000 2.072 392 L HA -0.097 4.143 4.340 -0.168 0.000 0.205 392 L C 2.497 179.401 176.870 0.057 0.000 1.079 392 L CA 1.354 56.209 54.840 0.025 0.000 0.752 392 L CB -1.160 40.873 42.059 -0.043 0.000 0.906 392 L HN -0.059 nan 8.230 nan 0.000 0.436 393 A N 0.353 123.195 122.820 0.036 0.000 1.902 393 A HA -0.211 4.008 4.320 -0.168 0.000 0.217 393 A C 2.396 180.050 177.584 0.117 0.000 1.181 393 A CA 1.545 53.625 52.037 0.071 0.000 0.623 393 A CB -0.450 18.569 19.000 0.032 0.000 0.818 393 A HN 0.316 nan 8.150 nan 0.000 0.443 394 R N -0.678 119.863 120.500 0.069 0.000 2.075 394 R HA -0.017 4.222 4.340 -0.168 0.000 0.232 394 R C 2.507 178.958 176.300 0.252 0.000 1.126 394 R CA 1.081 57.237 56.100 0.093 0.000 0.963 394 R CB -0.461 29.839 30.300 -0.001 0.000 0.858 394 R HN 0.507 nan 8.270 nan 0.000 0.435 395 A N 1.424 124.417 122.820 0.288 0.000 1.908 395 A HA -0.160 4.060 4.320 -0.168 0.000 0.218 395 A C 2.380 180.189 177.584 0.375 0.000 1.181 395 A CA 1.796 54.107 52.037 0.456 0.000 0.627 395 A CB -0.655 18.639 19.000 0.490 0.000 0.818 395 A HN 0.404 nan 8.150 nan 0.000 0.445 396 A N -1.374 121.579 122.820 0.221 0.000 1.902 396 A HA -0.191 4.028 4.320 -0.168 0.000 0.217 396 A C 2.102 179.820 177.584 0.224 0.000 1.181 396 A CA 1.467 53.600 52.037 0.159 0.000 0.623 396 A CB -0.853 18.220 19.000 0.122 0.000 0.818 396 A HN 0.844 nan 8.150 nan 0.000 0.443 397 W N 1.042 122.401 121.300 0.098 0.000 2.355 397 W HA -0.130 4.429 4.660 -0.169 0.000 0.309 397 W C 1.640 178.229 176.519 0.118 0.000 1.206 397 W CA 1.892 59.287 57.345 0.083 0.000 1.284 397 W CB -0.391 29.093 29.460 0.041 0.000 1.145 397 W HN 0.554 nan 8.180 nan 0.000 0.502 398 E N -0.801 119.697 120.200 0.496 0.000 2.347 398 E HA -0.122 4.128 4.350 -0.168 0.000 0.196 398 E C 1.949 178.775 176.600 0.377 0.000 1.008 398 E CA 1.436 58.097 56.400 0.436 0.000 0.852 398 E CB -0.063 29.921 29.700 0.474 0.000 0.783 398 E HN 0.102 nan 8.360 nan 0.000 0.505 399 T N 0.295 115.048 114.554 0.331 0.000 2.937 399 T HA -0.004 4.245 4.350 -0.168 0.000 0.260 399 T C 1.938 176.711 174.700 0.121 0.000 1.051 399 T CA 0.956 63.196 62.100 0.233 0.000 1.141 399 T CB 0.049 69.045 68.868 0.214 0.000 0.879 399 T HN 0.217 nan 8.240 nan 0.000 0.459 400 A N 1.034 123.888 122.820 0.056 0.000 1.970 400 A HA 0.155 4.374 4.320 -0.168 0.000 0.216 400 A C 1.247 178.805 177.584 -0.044 0.000 1.170 400 A CA 0.679 52.688 52.037 -0.048 0.000 0.645 400 A CB 0.180 19.073 19.000 -0.179 0.000 0.816 400 A HN 0.162 nan 8.150 nan 0.000 0.447 401 R N -0.050 120.451 120.500 0.003 0.000 2.532 401 R HA 0.212 4.451 4.340 -0.168 0.000 0.297 401 R C -1.184 175.229 176.300 0.188 0.000 0.984 401 R CA -0.564 55.575 56.100 0.064 0.000 0.884 401 R CB 0.847 31.151 30.300 0.006 0.000 1.182 401 R HN 0.584 nan 8.270 nan 0.000 0.442 402 H N 2.853 121.987 119.070 0.106 0.000 3.004 402 H HA 0.044 4.498 4.556 -0.169 0.000 0.316 402 H C -0.671 174.727 175.328 0.117 0.000 1.014 402 H CA 0.872 56.989 56.048 0.116 0.000 1.454 402 H CB 0.648 30.456 29.762 0.076 0.000 1.472 402 H HN 0.589 nan 8.280 nan 0.000 0.571 403 T N 3.295 117.602 114.554 -0.411 0.000 2.863 403 T HA 0.252 4.501 4.350 -0.168 0.000 0.285 403 T C -1.871 172.530 174.700 -0.499 0.000 1.009 403 T CA -1.817 60.113 62.100 -0.284 0.000 0.989 403 T CB 2.268 71.104 68.868 -0.054 0.000 1.004 403 T HN 0.402 nan 8.240 nan 0.000 0.455 404 P HA 0.052 nan 4.420 nan 0.000 0.217 404 P C 0.095 177.269 177.300 -0.209 0.000 1.151 404 P CA 0.430 63.303 63.100 -0.377 0.000 0.828 404 P CB 0.062 31.500 31.700 -0.436 0.000 0.788 405 V N 1.009 120.827 119.914 -0.161 0.000 2.448 405 V HA 0.279 4.298 4.120 -0.168 0.000 0.295 405 V C -0.371 175.629 176.094 -0.157 0.000 1.025 405 V CA -0.695 61.531 62.300 -0.124 0.000 0.859 405 V CB 1.191 32.961 31.823 -0.088 0.000 0.988 405 V HN -0.106 nan 8.190 nan 0.000 0.431 406 N N 2.364 120.922 118.700 -0.236 0.000 2.767 406 N HA 0.166 4.805 4.740 -0.168 0.000 0.238 406 N C 1.394 176.622 175.510 -0.471 0.000 1.083 406 N CA 0.078 52.903 53.050 -0.375 0.000 0.964 406 N CB 1.216 39.295 38.487 -0.680 0.000 1.252 406 N HN 0.810 nan 8.380 nan 0.000 0.512 407 S N 1.757 117.339 115.700 -0.198 0.000 2.402 407 S HA -0.206 4.163 4.470 -0.168 0.000 0.233 407 S C 1.731 176.286 174.600 -0.074 0.000 1.030 407 S CA 0.729 58.869 58.200 -0.100 0.000 1.003 407 S CB -0.482 62.717 63.200 -0.003 0.000 0.813 407 S HN 0.821 nan 8.310 nan 0.000 0.477 408 W N 0.954 122.187 121.300 -0.112 0.000 2.363 408 W HA -0.005 4.556 4.660 -0.165 0.000 0.296 408 W C 1.717 178.142 176.519 -0.156 0.000 1.212 408 W CA 0.438 57.679 57.345 -0.173 0.000 1.260 408 W CB -1.008 28.090 29.460 -0.604 0.000 1.131 408 W HN 0.358 nan 8.180 nan 0.000 0.530 409 L N 2.811 123.464 121.223 -0.950 0.000 2.044 409 L HA 0.163 4.403 4.340 -0.168 0.000 0.205 409 L C 2.708 179.405 176.870 -0.288 0.000 1.075 409 L CA 2.743 57.105 54.840 -0.797 0.000 0.747 409 L CB -1.417 39.920 42.059 -1.203 0.000 0.903 409 L HN 0.052 nan 8.230 nan 0.000 0.435 410 G N -0.634 108.013 108.800 -0.257 0.000 2.440 410 G HA2 -0.309 3.550 3.960 -0.168 0.000 0.218 410 G HA3 -0.309 3.550 3.960 -0.168 0.000 0.218 410 G C 1.486 176.401 174.900 0.025 0.000 1.154 410 G CA 0.815 45.847 45.100 -0.113 0.000 0.767 410 G HN 0.433 nan 8.290 nan 0.000 0.552 411 N N 0.572 119.344 118.700 0.121 0.000 2.142 411 N HA -0.015 4.624 4.740 -0.168 0.000 0.186 411 N C 2.287 177.941 175.510 0.241 0.000 1.023 411 N CA 0.651 53.890 53.050 0.316 0.000 0.852 411 N CB -0.214 38.530 38.487 0.429 0.000 0.998 411 N HN 0.336 nan 8.380 nan 0.000 0.424 412 I N 1.100 121.779 120.570 0.181 0.000 2.151 412 I HA -0.273 3.796 4.170 -0.168 0.000 0.243 412 I C 2.032 178.200 176.117 0.085 0.000 1.080 412 I CA 1.082 62.465 61.300 0.139 0.000 1.339 412 I CB -0.193 37.954 38.000 0.244 0.000 1.039 412 I HN 0.061 nan 8.210 nan 0.000 0.409 413 I N -0.299 120.320 120.570 0.082 0.000 2.202 413 I HA -0.282 3.787 4.170 -0.168 0.000 0.242 413 I C 2.307 178.519 176.117 0.160 0.000 1.091 413 I CA 1.187 62.549 61.300 0.102 0.000 1.368 413 I CB -0.199 37.829 38.000 0.047 0.000 1.058 413 I HN 0.223 nan 8.210 nan 0.000 0.410 414 M N -0.896 118.736 119.600 0.055 0.000 2.447 414 M HA -0.046 4.334 4.480 -0.168 0.000 0.264 414 M C 0.799 176.960 176.300 -0.232 0.000 1.095 414 M CA 1.350 56.616 55.300 -0.056 0.000 1.125 414 M CB -0.738 31.745 32.600 -0.195 0.000 1.389 414 M HN 0.175 nan 8.290 nan 0.000 0.459 415 Y N -0.707 119.612 120.300 0.031 0.000 2.716 415 Y HA 0.523 4.975 4.550 -0.164 0.000 0.260 415 Y C 1.757 177.407 175.900 -0.417 0.000 1.141 415 Y CA -0.448 57.552 58.100 -0.166 0.000 1.168 415 Y CB -0.821 37.486 38.460 -0.255 0.000 1.189 415 Y HN 0.152 nan 8.280 nan 0.000 0.549 416 A N 1.019 123.637 122.820 -0.336 0.000 1.927 416 A HA -0.187 4.033 4.320 -0.168 0.000 0.220 416 A C -0.323 176.977 177.584 -0.473 0.000 1.185 416 A CA 1.861 53.656 52.037 -0.404 0.000 0.639 416 A CB -1.445 17.304 19.000 -0.420 0.000 0.820 416 A HN 0.283 nan 8.150 nan 0.000 0.451 417 P HA -0.004 nan 4.420 nan 0.000 0.226 417 P C 0.732 177.753 177.300 -0.465 0.000 1.153 417 P CA 1.330 64.136 63.100 -0.490 0.000 0.777 417 P CB -0.540 30.876 31.700 -0.473 0.000 0.794 418 T N -2.546 111.746 114.554 -0.436 0.000 2.898 418 T HA 0.083 4.332 4.350 -0.168 0.000 0.301 418 T C 1.145 175.471 174.700 -0.624 0.000 1.049 418 T CA -0.641 61.180 62.100 -0.465 0.000 1.095 418 T CB 0.496 68.896 68.868 -0.781 0.000 0.976 418 T HN -0.192 nan 8.240 nan 0.000 0.539 419 L N 2.050 122.815 121.223 -0.763 0.000 2.012 419 L HA 0.001 4.240 4.340 -0.168 0.000 0.210 419 L C 2.375 178.932 176.870 -0.521 0.000 1.073 419 L CA 1.730 56.049 54.840 -0.868 0.000 0.748 419 L CB -1.030 40.404 42.059 -1.042 0.000 0.891 419 L HN 0.931 nan 8.230 nan 0.000 0.431 420 W N -0.973 120.111 121.300 -0.360 0.000 2.418 420 W HA 0.109 4.670 4.660 -0.165 0.000 0.292 420 W C 2.011 178.391 176.519 -0.231 0.000 1.213 420 W CA 0.774 57.945 57.345 -0.289 0.000 1.283 420 W CB -1.409 27.916 29.460 -0.225 0.000 1.119 420 W HN 0.299 nan 8.180 nan 0.000 0.542 421 A N 1.828 124.175 122.820 -0.788 0.000 1.930 421 A HA -0.118 4.101 4.320 -0.168 0.000 0.217 421 A C 2.253 179.679 177.584 -0.264 0.000 1.175 421 A CA 1.663 53.398 52.037 -0.504 0.000 0.627 421 A CB -0.712 17.867 19.000 -0.701 0.000 0.815 421 A HN 0.300 nan 8.150 nan 0.000 0.443 422 R N -1.050 119.224 120.500 -0.378 0.000 2.057 422 R HA 0.066 4.305 4.340 -0.168 0.000 0.229 422 R C 2.278 178.411 176.300 -0.278 0.000 1.136 422 R CA 1.662 57.571 56.100 -0.319 0.000 0.952 422 R CB -0.330 29.654 30.300 -0.527 0.000 0.848 422 R HN 0.495 nan 8.270 nan 0.000 0.430 423 M N -0.272 119.003 119.600 -0.541 0.000 2.236 423 M HA -0.023 4.356 4.480 -0.168 0.000 0.266 423 M C 1.941 178.137 176.300 -0.173 0.000 1.070 423 M CA 1.516 56.524 55.300 -0.487 0.000 1.137 423 M CB 0.071 32.307 32.600 -0.608 0.000 1.378 423 M HN 0.125 nan 8.290 nan 0.000 0.426 424 I N -0.645 119.686 120.570 -0.399 0.000 2.962 424 I HA -0.104 3.965 4.170 -0.168 0.000 0.246 424 I C 2.111 178.002 176.117 -0.378 0.000 1.091 424 I CA 0.367 61.153 61.300 -0.856 0.000 1.469 424 I CB -0.218 37.267 38.000 -0.859 0.000 1.324 424 I HN 0.122 nan 8.210 nan 0.000 0.461 425 L N 0.219 121.421 121.223 -0.036 0.000 2.017 425 L HA -0.200 4.039 4.340 -0.168 0.000 0.208 425 L C 2.671 179.813 176.870 0.455 0.000 1.073 425 L CA 1.641 56.651 54.840 0.283 0.000 0.745 425 L CB -0.432 41.846 42.059 0.365 0.000 0.894 425 L HN 0.284 nan 8.230 nan 0.000 0.432 426 M N -0.954 118.887 119.600 0.402 0.000 2.086 426 M HA -0.178 4.201 4.480 -0.168 0.000 0.261 426 M C 2.312 179.110 176.300 0.831 0.000 1.067 426 M CA 1.970 57.629 55.300 0.599 0.000 1.116 426 M CB -0.594 32.180 32.600 0.291 0.000 1.348 426 M HN 0.246 nan 8.290 nan 0.000 0.407 427 T N -1.295 113.705 114.554 0.744 0.000 2.674 427 T HA -0.220 4.029 4.350 -0.168 0.000 0.265 427 T C 1.644 176.632 174.700 0.481 0.000 1.039 427 T CA 1.881 64.389 62.100 0.680 0.000 1.150 427 T CB -0.540 68.765 68.868 0.728 0.000 0.864 427 T HN 0.459 nan 8.240 nan 0.000 0.427 428 H N 0.434 119.665 119.070 0.268 0.000 2.290 428 H HA -0.047 4.408 4.556 -0.169 0.000 0.298 428 H C 1.766 176.975 175.328 -0.198 0.000 1.087 428 H CA 1.717 57.791 56.048 0.044 0.000 1.291 428 H CB -0.506 29.103 29.762 -0.254 0.000 1.369 428 H HN 0.358 nan 8.280 nan 0.000 0.492 429 F N -1.225 118.689 119.950 -0.061 0.000 2.293 429 F HA 0.017 4.444 4.527 -0.166 0.000 0.297 429 F C 2.000 177.674 175.800 -0.209 0.000 1.089 429 F CA 0.490 58.248 58.000 -0.404 0.000 1.377 429 F CB -0.507 37.943 39.000 -0.918 0.000 1.051 429 F HN 0.134 nan 8.300 nan 0.000 0.511 430 F N -0.493 119.581 119.950 0.207 0.000 2.234 430 F HA -0.188 4.235 4.527 -0.174 0.000 0.299 430 F C 2.738 178.574 175.800 0.060 0.000 1.087 430 F CA 1.473 59.593 58.000 0.201 0.000 1.340 430 F CB -0.889 38.328 39.000 0.361 0.000 1.031 430 F HN -0.086 nan 8.300 nan 0.000 0.500 431 S N 0.464 116.254 115.700 0.150 0.000 2.356 431 S HA -0.184 4.185 4.470 -0.168 0.000 0.223 431 S C 2.114 176.684 174.600 -0.050 0.000 1.032 431 S CA 1.534 59.746 58.200 0.021 0.000 1.005 431 S CB -0.454 62.742 63.200 -0.005 0.000 0.867 431 S HN 0.334 nan 8.310 nan 0.000 0.449 432 I N 1.129 121.607 120.570 -0.153 0.000 2.202 432 I HA -0.146 3.923 4.170 -0.168 0.000 0.242 432 I C 2.244 178.326 176.117 -0.059 0.000 1.091 432 I CA 1.030 62.236 61.300 -0.157 0.000 1.368 432 I CB -0.374 37.456 38.000 -0.285 0.000 1.058 432 I HN 0.299 nan 8.210 nan 0.000 0.410 433 L N 0.181 121.380 121.223 -0.041 0.000 2.083 433 L HA -0.226 4.013 4.340 -0.168 0.000 0.209 433 L C 2.541 179.429 176.870 0.031 0.000 1.083 433 L CA 1.260 56.099 54.840 -0.001 0.000 0.752 433 L CB -0.505 41.522 42.059 -0.054 0.000 0.899 433 L HN 0.277 nan 8.230 nan 0.000 0.433 434 L N -0.411 120.843 121.223 0.052 0.000 1.994 434 L HA -0.209 4.030 4.340 -0.168 0.000 0.208 434 L C 2.902 179.789 176.870 0.029 0.000 1.071 434 L CA 1.342 56.219 54.840 0.061 0.000 0.745 434 L CB -0.667 41.434 42.059 0.070 0.000 0.892 434 L HN 0.237 nan 8.230 nan 0.000 0.431 435 A N -0.696 122.129 122.820 0.008 0.000 1.908 435 A HA -0.253 3.966 4.320 -0.168 0.000 0.218 435 A C 2.118 179.704 177.584 0.003 0.000 1.181 435 A CA 1.654 53.689 52.037 -0.003 0.000 0.627 435 A CB -0.446 18.541 19.000 -0.022 0.000 0.818 435 A HN 0.540 nan 8.150 nan 0.000 0.445 436 Q N -1.854 117.951 119.800 0.007 0.000 2.425 436 Q HA 0.113 4.352 4.340 -0.168 0.000 0.204 436 Q C -0.128 175.888 176.000 0.025 0.000 0.933 436 Q CA 0.435 56.248 55.803 0.015 0.000 0.939 436 Q CB 0.287 29.038 28.738 0.022 0.000 1.044 436 Q HN 0.733 nan 8.270 nan 0.000 0.513 437 E N 0.517 120.735 120.200 0.030 0.000 2.513 437 E HA -0.209 4.040 4.350 -0.168 0.000 0.257 437 E C -0.324 176.302 176.600 0.044 0.000 1.098 437 E CA 0.082 56.503 56.400 0.036 0.000 0.752 437 E CB -0.430 29.287 29.700 0.028 0.000 1.324 437 E HN 0.237 nan 8.360 nan 0.000 0.403 438 Q N -0.516 119.314 119.800 0.050 0.000 2.141 438 Q HA 0.185 4.424 4.340 -0.168 0.000 0.248 438 Q C 1.508 177.546 176.000 0.064 0.000 0.834 438 Q CA -0.151 55.688 55.803 0.060 0.000 1.096 438 Q CB 0.441 29.221 28.738 0.071 0.000 1.189 438 Q HN 0.478 nan 8.270 nan 0.000 0.471 439 L N 0.017 121.279 121.223 0.065 0.000 2.079 439 L HA -0.198 4.042 4.340 -0.168 0.000 0.210 439 L C 1.728 178.646 176.870 0.080 0.000 1.081 439 L CA 1.536 56.419 54.840 0.073 0.000 0.752 439 L CB -0.058 42.075 42.059 0.122 0.000 0.896 439 L HN 0.250 nan 8.230 nan 0.000 0.433 440 E N -0.273 119.972 120.200 0.075 0.000 2.358 440 E HA -0.102 4.147 4.350 -0.168 0.000 0.195 440 E C 0.764 177.404 176.600 0.066 0.000 1.010 440 E CA 0.045 56.487 56.400 0.070 0.000 0.856 440 E CB 0.158 29.894 29.700 0.060 0.000 0.795 440 E HN 0.234 nan 8.360 nan 0.000 0.504 441 K N 1.774 122.216 120.400 0.069 0.000 2.383 441 K HA 0.230 4.449 4.320 -0.168 0.000 0.286 441 K C -0.584 176.061 176.600 0.075 0.000 1.051 441 K CA -0.326 56.005 56.287 0.073 0.000 0.974 441 K CB 0.670 33.219 32.500 0.082 0.000 0.968 441 K HN -0.084 nan 8.250 nan 0.000 0.475 442 A N 5.372 128.234 122.820 0.069 0.000 2.440 442 A HA 0.331 4.551 4.320 -0.168 0.000 0.251 442 A C -0.514 177.110 177.584 0.066 0.000 1.089 442 A CA -0.292 51.782 52.037 0.061 0.000 0.779 442 A CB 0.109 19.146 19.000 0.062 0.000 1.022 442 A HN 0.766 nan 8.150 nan 0.000 0.492 443 L N 1.844 123.085 121.223 0.029 0.000 2.354 443 L HA 0.389 4.628 4.340 -0.168 0.000 0.269 443 L C -0.897 175.957 176.870 -0.026 0.000 1.005 443 L CA -1.083 53.761 54.840 0.007 0.000 0.819 443 L CB 2.036 44.057 42.059 -0.062 0.000 1.311 443 L HN 0.563 nan 8.230 nan 0.000 0.423 444 D N 1.518 121.922 120.400 0.007 0.000 2.277 444 D HA 0.414 4.953 4.640 -0.168 0.000 0.249 444 D C -0.346 175.895 176.300 -0.098 0.000 1.134 444 D CA -0.012 54.001 54.000 0.021 0.000 0.863 444 D CB 1.349 42.230 40.800 0.135 0.000 1.143 444 D HN 0.584 nan 8.370 nan 0.000 0.458 445 C N 0.850 120.083 119.300 -0.112 0.000 3.259 445 C HA 0.704 5.063 4.460 -0.168 0.000 0.328 445 C C -0.884 174.056 174.990 -0.083 0.000 1.425 445 C CA -0.863 58.053 59.018 -0.171 0.000 1.465 445 C CB 1.368 28.939 27.740 -0.281 0.000 1.890 445 C HN 0.483 nan 8.230 nan 0.000 0.450 446 Q N 0.470 120.217 119.800 -0.089 0.000 2.340 446 Q HA 0.735 4.974 4.340 -0.168 0.000 0.268 446 Q C -1.364 174.599 176.000 -0.061 0.000 1.031 446 Q CA -0.280 55.501 55.803 -0.037 0.000 0.804 446 Q CB 2.313 31.021 28.738 -0.049 0.000 1.286 446 Q HN 0.702 nan 8.270 nan 0.000 0.448 447 I N 2.786 123.320 120.570 -0.061 0.000 2.447 447 I HA 0.209 4.279 4.170 -0.168 0.000 0.287 447 I C -0.901 175.219 176.117 0.006 0.000 1.023 447 I CA -0.877 60.312 61.300 -0.186 0.000 1.083 447 I CB 1.185 38.750 38.000 -0.725 0.000 1.245 447 I HN 0.665 nan 8.210 nan 0.000 0.434 448 Y N 4.673 124.971 120.300 -0.003 0.000 3.491 448 Y HA -0.251 4.205 4.550 -0.158 0.000 0.215 448 Y C 1.502 177.015 175.900 -0.644 0.000 1.219 448 Y CA 0.953 59.037 58.100 -0.026 0.000 1.485 448 Y CB -2.207 36.302 38.460 0.082 0.000 1.450 448 Y HN 1.002 nan 8.280 nan 0.000 0.603 449 G N -2.017 106.421 108.800 -0.604 0.000 2.184 449 G HA2 0.003 3.862 3.960 -0.168 0.000 0.264 449 G HA3 0.003 3.862 3.960 -0.168 0.000 0.264 449 G C 0.428 175.084 174.900 -0.407 0.000 0.975 449 G CA 0.430 44.998 45.100 -0.886 0.000 0.642 449 G HN 1.572 nan 8.290 nan 0.000 0.536 450 A N -1.185 121.503 122.820 -0.221 0.000 2.311 450 A HA 0.737 4.956 4.320 -0.168 0.000 0.334 450 A C 0.470 177.968 177.584 -0.144 0.000 1.139 450 A CA 0.218 52.156 52.037 -0.164 0.000 0.830 450 A CB 1.445 20.352 19.000 -0.154 0.000 1.234 450 A HN 1.460 nan 8.150 nan 0.000 0.483 451 C N 0.949 120.101 119.300 -0.247 0.000 2.330 451 C HA 0.781 5.140 4.460 -0.168 0.000 0.344 451 C C -1.278 173.389 174.990 -0.538 0.000 1.273 451 C CA -0.418 58.492 59.018 -0.181 0.000 1.879 451 C CB -1.161 26.595 27.740 0.028 0.000 2.376 451 C HN 0.608 nan 8.230 nan 0.000 0.534 452 Y N 2.877 122.978 120.300 -0.332 0.000 2.425 452 Y HA 0.418 4.861 4.550 -0.179 0.000 0.344 452 Y C 0.381 176.070 175.900 -0.351 0.000 0.969 452 Y CA -0.326 57.490 58.100 -0.472 0.000 1.052 452 Y CB 1.854 39.962 38.460 -0.587 0.000 1.215 452 Y HN 0.594 nan 8.280 nan 0.000 0.451 453 S N 4.691 120.222 115.700 -0.281 0.000 2.430 453 S HA 0.663 5.032 4.470 -0.168 0.000 0.289 453 S C -0.818 173.770 174.600 -0.020 0.000 1.143 453 S CA -0.348 57.791 58.200 -0.102 0.000 1.067 453 S CB -0.450 62.700 63.200 -0.084 0.000 0.964 453 S HN 0.518 nan 8.310 nan 0.000 0.485 454 I N 3.980 124.548 120.570 -0.005 0.000 2.533 454 I HA 0.351 4.420 4.170 -0.168 0.000 0.290 454 I C -0.156 175.976 176.117 0.025 0.000 1.056 454 I CA -0.695 60.620 61.300 0.025 0.000 1.057 454 I CB 2.224 40.223 38.000 -0.002 0.000 1.240 454 I HN 0.543 nan 8.210 nan 0.000 0.423 455 E N 6.879 127.111 120.200 0.054 0.000 2.194 455 E HA 0.177 4.426 4.350 -0.168 0.000 0.284 455 E C -1.730 174.920 176.600 0.084 0.000 1.035 455 E CA -1.561 54.877 56.400 0.064 0.000 0.836 455 E CB 1.385 31.126 29.700 0.069 0.000 1.070 455 E HN 0.323 nan 8.360 nan 0.000 0.401 456 P HA -0.205 nan 4.420 nan 0.000 0.217 456 P C 1.008 178.460 177.300 0.254 0.000 1.148 456 P CA 1.153 64.322 63.100 0.114 0.000 0.834 456 P CB 0.210 31.891 31.700 -0.033 0.000 0.783 457 L N -0.998 120.350 121.223 0.210 0.000 2.362 457 L HA -0.128 4.111 4.340 -0.168 0.000 0.219 457 L C 1.306 178.275 176.870 0.165 0.000 1.134 457 L CA 1.136 56.115 54.840 0.231 0.000 0.807 457 L CB -0.650 41.507 42.059 0.163 0.000 0.927 457 L HN -0.028 nan 8.230 nan 0.000 0.447 458 D N -0.435 120.045 120.400 0.134 0.000 2.340 458 D HA 0.014 4.553 4.640 -0.168 0.000 0.220 458 D C 2.237 178.600 176.300 0.105 0.000 1.039 458 D CA 0.267 54.320 54.000 0.088 0.000 0.866 458 D CB 0.312 41.151 40.800 0.065 0.000 0.913 458 D HN 0.274 nan 8.370 nan 0.000 0.523 459 L N 0.978 122.307 121.223 0.177 0.000 2.043 459 L HA -0.168 4.071 4.340 -0.168 0.000 0.212 459 L C -0.460 176.517 176.870 0.179 0.000 1.075 459 L CA 1.587 56.549 54.840 0.203 0.000 0.752 459 L CB -1.421 40.830 42.059 0.321 0.000 0.891 459 L HN 0.055 nan 8.230 nan 0.000 0.432 460 P HA -0.208 nan 4.420 nan 0.000 0.215 460 P C 1.465 178.824 177.300 0.099 0.000 1.157 460 P CA 1.399 64.534 63.100 0.057 0.000 0.874 460 P CB 0.013 31.563 31.700 -0.250 0.000 0.790 461 Q N -0.997 118.800 119.800 -0.005 0.000 2.079 461 Q HA -0.109 4.130 4.340 -0.168 0.000 0.200 461 Q C 2.215 178.216 176.000 0.002 0.000 0.974 461 Q CA 1.158 56.947 55.803 -0.023 0.000 0.840 461 Q CB -0.571 28.131 28.738 -0.060 0.000 0.898 461 Q HN 0.281 nan 8.270 nan 0.000 0.430 462 I N 0.406 120.988 120.570 0.021 0.000 2.179 462 I HA -0.290 3.779 4.170 -0.168 0.000 0.242 462 I C 2.169 178.316 176.117 0.051 0.000 1.088 462 I CA 1.127 62.423 61.300 -0.006 0.000 1.357 462 I CB -0.203 37.832 38.000 0.059 0.000 1.051 462 I HN 0.197 nan 8.210 nan 0.000 0.409 463 I N 0.178 120.835 120.570 0.144 0.000 2.179 463 I HA -0.340 3.729 4.170 -0.168 0.000 0.242 463 I C 2.713 178.881 176.117 0.085 0.000 1.088 463 I CA 1.467 62.870 61.300 0.171 0.000 1.357 463 I CB -0.422 37.674 38.000 0.159 0.000 1.051 463 I HN 0.347 nan 8.210 nan 0.000 0.409 464 Q N 0.760 120.643 119.800 0.139 0.000 2.077 464 Q HA -0.244 3.995 4.340 -0.168 0.000 0.206 464 Q C 2.422 178.438 176.000 0.026 0.000 0.989 464 Q CA 1.580 57.445 55.803 0.104 0.000 0.853 464 Q CB 0.055 28.909 28.738 0.194 0.000 0.907 464 Q HN 0.316 nan 8.270 nan 0.000 0.418 465 R N 0.005 120.498 120.500 -0.011 0.000 2.081 465 R HA -0.062 4.177 4.340 -0.168 0.000 0.235 465 R C 2.236 178.495 176.300 -0.068 0.000 1.131 465 R CA 0.988 57.051 56.100 -0.062 0.000 0.960 465 R CB -0.452 29.764 30.300 -0.139 0.000 0.856 465 R HN 0.399 nan 8.270 nan 0.000 0.436 466 L N -0.837 120.330 121.223 -0.093 0.000 2.307 466 L HA -0.006 4.234 4.340 -0.168 0.000 0.211 466 L C 1.579 178.205 176.870 -0.407 0.000 1.099 466 L CA 0.904 55.615 54.840 -0.216 0.000 0.816 466 L CB -0.229 41.669 42.059 -0.269 0.000 0.952 466 L HN 0.261 nan 8.230 nan 0.000 0.455 467 H N -0.970 118.070 119.070 -0.050 0.000 3.457 467 H HA 0.299 4.755 4.556 -0.166 0.000 0.255 467 H C 0.915 176.188 175.328 -0.090 0.000 1.082 467 H CA 0.792 56.792 56.048 -0.080 0.000 1.189 467 H CB 1.410 31.085 29.762 -0.145 0.000 1.511 467 H HN 0.245 nan 8.280 nan 0.000 0.527 468 G N 1.341 110.151 108.800 0.016 0.000 2.707 468 G HA2 -0.241 3.619 3.960 -0.168 0.000 0.686 468 G HA3 -0.241 3.619 3.960 -0.168 0.000 0.686 468 G C 0.387 175.260 174.900 -0.045 0.000 1.315 468 G CA -0.063 45.039 45.100 0.003 0.000 0.832 468 G HN 0.187 nan 8.290 nan 0.000 0.573 469 L N 1.336 122.586 121.223 0.046 0.000 2.191 469 L HA 0.030 4.269 4.340 -0.168 0.000 0.212 469 L C 3.088 179.994 176.870 0.059 0.000 1.103 469 L CA 3.213 58.147 54.840 0.157 0.000 0.769 469 L CB -0.584 41.601 42.059 0.211 0.000 0.908 469 L HN 1.362 nan 8.230 nan 0.000 0.438 470 S N -1.046 114.640 115.700 -0.023 0.000 2.442 470 S HA -0.120 4.249 4.470 -0.168 0.000 0.236 470 S C 2.141 176.638 174.600 -0.171 0.000 1.007 470 S CA 0.682 58.846 58.200 -0.060 0.000 0.965 470 S CB -0.806 62.355 63.200 -0.066 0.000 0.773 470 S HN 0.462 nan 8.310 nan 0.000 0.504 471 A N 1.027 123.652 122.820 -0.325 0.000 2.032 471 A HA 0.042 4.261 4.320 -0.168 0.000 0.221 471 A C 1.523 178.845 177.584 -0.436 0.000 1.165 471 A CA 1.307 53.049 52.037 -0.491 0.000 0.645 471 A CB -0.935 17.652 19.000 -0.687 0.000 0.807 471 A HN 0.628 nan 8.150 nan 0.000 0.453 472 F N -0.127 119.827 119.950 0.006 0.000 2.765 472 F HA 0.156 4.577 4.527 -0.178 0.000 0.302 472 F C 1.619 177.448 175.800 0.048 0.000 1.111 472 F CA 0.576 58.603 58.000 0.044 0.000 1.359 472 F CB 0.086 39.148 39.000 0.103 0.000 1.097 472 F HN 0.251 nan 8.300 nan 0.000 0.577 473 S N -1.389 114.385 115.700 0.122 0.000 3.053 473 S HA 0.294 4.663 4.470 -0.168 0.000 0.255 473 S C -0.133 174.481 174.600 0.023 0.000 0.976 473 S CA -0.449 57.819 58.200 0.113 0.000 1.159 473 S CB -0.802 62.472 63.200 0.122 0.000 1.110 473 S HN 0.049 nan 8.310 nan 0.000 0.633 474 L N 3.429 124.575 121.223 -0.127 0.000 2.490 474 L HA 0.397 4.636 4.340 -0.168 0.000 0.274 474 L C 0.690 177.368 176.870 -0.320 0.000 1.201 474 L CA 0.188 54.806 54.840 -0.370 0.000 0.869 474 L CB -0.070 41.611 42.059 -0.630 0.000 1.123 474 L HN 0.652 nan 8.230 nan 0.000 0.484 475 H N -1.314 117.543 119.070 -0.354 0.000 2.943 475 H HA 0.430 4.885 4.556 -0.168 0.000 0.323 475 H C -0.092 175.077 175.328 -0.265 0.000 1.296 475 H CA -1.019 54.884 56.048 -0.241 0.000 1.155 475 H CB 1.046 30.773 29.762 -0.057 0.000 1.882 475 H HN 0.407 nan 8.280 nan 0.000 0.553 476 S N -0.633 115.132 115.700 0.108 0.000 3.524 476 S HA -0.236 4.133 4.470 -0.168 0.000 0.377 476 S C -0.657 173.936 174.600 -0.012 0.000 0.949 476 S CA 0.452 58.707 58.200 0.092 0.000 1.264 476 S CB -2.496 60.788 63.200 0.141 0.000 0.918 476 S HN 0.512 nan 8.310 nan 0.000 0.517 477 Y N 1.890 122.222 120.300 0.054 0.000 2.550 477 Y HA 0.214 4.662 4.550 -0.170 0.000 0.343 477 Y C 1.427 177.368 175.900 0.069 0.000 1.245 477 Y CA 0.566 58.702 58.100 0.059 0.000 1.462 477 Y CB 0.408 38.898 38.460 0.050 0.000 1.340 477 Y HN 0.524 nan 8.280 nan 0.000 0.604 478 S N 2.148 117.997 115.700 0.248 0.000 2.572 478 S HA 0.100 4.469 4.470 -0.168 0.000 0.279 478 S C -1.987 172.688 174.600 0.125 0.000 1.341 478 S CA -1.136 57.150 58.200 0.143 0.000 1.043 478 S CB 1.207 64.468 63.200 0.102 0.000 0.887 478 S HN 0.446 nan 8.310 nan 0.000 0.516 479 P HA -0.018 nan 4.420 nan 0.000 0.216 479 P C 1.745 179.078 177.300 0.055 0.000 1.153 479 P CA 1.689 64.829 63.100 0.068 0.000 0.858 479 P CB -0.455 31.277 31.700 0.052 0.000 0.789 480 G N -0.248 108.581 108.800 0.048 0.000 2.422 480 G HA2 -0.283 3.576 3.960 -0.168 0.000 0.218 480 G HA3 -0.283 3.576 3.960 -0.168 0.000 0.218 480 G C 1.670 176.591 174.900 0.035 0.000 1.146 480 G CA 0.885 46.005 45.100 0.032 0.000 0.769 480 G HN 0.267 nan 8.290 nan 0.000 0.547 481 E N 0.469 120.708 120.200 0.065 0.000 2.076 481 E HA 0.026 4.275 4.350 -0.168 0.000 0.190 481 E C 2.446 179.075 176.600 0.048 0.000 0.979 481 E CA 0.428 56.874 56.400 0.077 0.000 0.807 481 E CB -0.334 29.464 29.700 0.163 0.000 0.761 481 E HN 0.475 nan 8.360 nan 0.000 0.454 482 I N 0.945 121.551 120.570 0.059 0.000 2.118 482 I HA -0.333 3.736 4.170 -0.168 0.000 0.241 482 I C 1.872 177.999 176.117 0.017 0.000 1.070 482 I CA 1.331 62.651 61.300 0.033 0.000 1.327 482 I CB -0.405 37.632 38.000 0.061 0.000 1.034 482 I HN 0.169 nan 8.210 nan 0.000 0.405 483 N N 0.461 119.174 118.700 0.021 0.000 2.188 483 N HA -0.181 4.458 4.740 -0.168 0.000 0.184 483 N C 1.859 177.366 175.510 -0.006 0.000 1.018 483 N CA 1.062 54.118 53.050 0.010 0.000 0.858 483 N CB -0.407 38.088 38.487 0.014 0.000 0.989 483 N HN 0.309 nan 8.380 nan 0.000 0.426 484 R N 0.747 121.239 120.500 -0.014 0.000 2.073 484 R HA -0.033 4.206 4.340 -0.168 0.000 0.234 484 R C 1.829 178.088 176.300 -0.067 0.000 1.134 484 R CA 1.027 57.101 56.100 -0.043 0.000 0.952 484 R CB -0.266 30.002 30.300 -0.053 0.000 0.850 484 R HN -0.050 nan 8.270 nan 0.000 0.433 485 V N 1.181 121.060 119.914 -0.058 0.000 2.255 485 V HA -0.262 3.757 4.120 -0.168 0.000 0.247 485 V C 2.506 178.574 176.094 -0.043 0.000 1.051 485 V CA 2.057 64.315 62.300 -0.070 0.000 1.018 485 V CB -0.889 30.915 31.823 -0.031 0.000 0.641 485 V HN 0.597 nan 8.190 nan 0.000 0.445 486 A N -0.555 122.254 122.820 -0.017 0.000 1.908 486 A HA -0.239 3.980 4.320 -0.168 0.000 0.218 486 A C 2.480 180.064 177.584 0.000 0.000 1.181 486 A CA 2.404 54.442 52.037 0.002 0.000 0.627 486 A CB -0.755 18.252 19.000 0.012 0.000 0.818 486 A HN 0.515 nan 8.150 nan 0.000 0.445 487 S N -1.341 114.354 115.700 -0.010 0.000 2.368 487 S HA -0.211 4.158 4.470 -0.168 0.000 0.225 487 S C 2.050 176.642 174.600 -0.012 0.000 1.030 487 S CA 1.217 59.413 58.200 -0.007 0.000 0.999 487 S CB -0.877 62.314 63.200 -0.014 0.000 0.844 487 S HN 0.790 nan 8.310 nan 0.000 0.459 488 C N 2.120 121.395 119.300 -0.041 0.000 2.413 488 C HA -0.052 4.307 4.460 -0.168 0.000 0.276 488 C C 2.451 177.426 174.990 -0.025 0.000 1.236 488 C CA 0.738 59.723 59.018 -0.055 0.000 1.735 488 C CB -1.630 26.035 27.740 -0.124 0.000 2.031 488 C HN 0.570 nan 8.230 nan 0.000 0.474 489 L N 0.352 121.566 121.223 -0.015 0.000 2.042 489 L HA -0.155 4.084 4.340 -0.168 0.000 0.210 489 L C 2.930 179.810 176.870 0.016 0.000 1.076 489 L CA 2.115 56.963 54.840 0.013 0.000 0.749 489 L CB -1.008 41.078 42.059 0.045 0.000 0.893 489 L HN 0.422 nan 8.230 nan 0.000 0.432 490 R N 0.972 121.489 120.500 0.027 0.000 2.073 490 R HA -0.226 4.013 4.340 -0.168 0.000 0.234 490 R C 2.440 178.798 176.300 0.097 0.000 1.134 490 R CA 1.918 58.049 56.100 0.051 0.000 0.952 490 R CB -0.141 30.187 30.300 0.047 0.000 0.850 490 R HN 0.214 nan 8.270 nan 0.000 0.433 491 K N 0.349 120.798 120.400 0.082 0.000 2.063 491 K HA -0.144 4.075 4.320 -0.168 0.000 0.208 491 K C 1.820 178.551 176.600 0.218 0.000 1.048 491 K CA 1.629 57.988 56.287 0.121 0.000 0.928 491 K CB -0.065 32.471 32.500 0.059 0.000 0.713 491 K HN 0.274 nan 8.250 nan 0.000 0.442 492 L N -0.448 120.834 121.223 0.099 0.000 2.529 492 L HA 0.156 4.395 4.340 -0.168 0.000 0.223 492 L C 0.894 177.647 176.870 -0.194 0.000 1.113 492 L CA 0.416 55.290 54.840 0.057 0.000 0.861 492 L CB 0.142 42.212 42.059 0.018 0.000 1.012 492 L HN 0.613 nan 8.230 nan 0.000 0.461 493 G N 1.170 109.751 108.800 -0.365 0.000 2.256 493 G HA2 -0.223 3.636 3.960 -0.168 0.000 0.272 493 G HA3 -0.223 3.636 3.960 -0.168 0.000 0.272 493 G C -0.047 174.712 174.900 -0.234 0.000 1.076 493 G CA -0.017 44.703 45.100 -0.634 0.000 0.882 493 G HN 0.089 nan 8.290 nan 0.000 0.497 494 V N 1.020 120.893 119.914 -0.068 0.000 2.546 494 V HA 0.399 4.419 4.120 -0.168 0.000 0.284 494 V C -1.118 175.052 176.094 0.127 0.000 1.050 494 V CA -1.493 60.856 62.300 0.081 0.000 0.981 494 V CB 1.393 33.294 31.823 0.131 0.000 0.990 494 V HN 0.215 nan 8.190 nan 0.000 0.474 495 P HA 0.120 nan 4.420 nan 0.000 0.266 495 P C -2.567 174.819 177.300 0.144 0.000 1.193 495 P CA -0.748 62.357 63.100 0.008 0.000 0.770 495 P CB -0.286 31.224 31.700 -0.317 0.000 0.836 496 P HA 0.055 nan 4.420 nan 0.000 0.269 496 P C 1.049 178.477 177.300 0.214 0.000 1.217 496 P CA 0.087 63.255 63.100 0.114 0.000 0.783 496 P CB 0.324 32.050 31.700 0.043 0.000 0.898 497 L N 0.949 122.316 121.223 0.240 0.000 2.127 497 L HA -0.206 4.033 4.340 -0.168 0.000 0.211 497 L C 2.612 179.594 176.870 0.187 0.000 1.089 497 L CA 1.515 56.525 54.840 0.283 0.000 0.757 497 L CB -0.603 41.533 42.059 0.129 0.000 0.899 497 L HN 0.488 nan 8.230 nan 0.000 0.434 498 R N 0.253 120.785 120.500 0.054 0.000 2.091 498 R HA -0.167 4.072 4.340 -0.168 0.000 0.238 498 R C 2.148 178.297 176.300 -0.253 0.000 1.136 498 R CA 1.742 57.780 56.100 -0.103 0.000 0.959 498 R CB -0.234 30.019 30.300 -0.079 0.000 0.856 498 R HN 0.170 nan 8.270 nan 0.000 0.437 499 V N -0.169 119.662 119.914 -0.138 0.000 2.358 499 V HA -0.231 3.788 4.120 -0.168 0.000 0.246 499 V C 1.863 177.845 176.094 -0.187 0.000 1.047 499 V CA 1.955 64.140 62.300 -0.193 0.000 1.035 499 V CB -0.633 30.999 31.823 -0.319 0.000 0.658 499 V HN 0.466 nan 8.190 nan 0.000 0.452 500 W N 0.178 121.522 121.300 0.073 0.000 2.358 500 W HA -0.158 4.402 4.660 -0.167 0.000 0.303 500 W C 2.739 179.418 176.519 0.266 0.000 1.208 500 W CA 1.632 59.080 57.345 0.173 0.000 1.274 500 W CB -0.335 29.233 29.460 0.180 0.000 1.138 500 W HN 0.065 nan 8.180 nan 0.000 0.515 501 R N -0.298 120.451 120.500 0.415 0.000 2.083 501 R HA -0.205 4.034 4.340 -0.168 0.000 0.237 501 R C 2.123 178.495 176.300 0.121 0.000 1.137 501 R CA 1.990 58.286 56.100 0.327 0.000 0.951 501 R CB -0.657 29.764 30.300 0.201 0.000 0.851 501 R HN 0.206 nan 8.270 nan 0.000 0.434 502 H N 0.252 119.380 119.070 0.097 0.000 2.319 502 H HA -0.077 4.378 4.556 -0.168 0.000 0.299 502 H C 2.230 177.547 175.328 -0.018 0.000 1.092 502 H CA 1.709 57.763 56.048 0.010 0.000 1.302 502 H CB -0.266 29.485 29.762 -0.018 0.000 1.373 502 H HN 0.261 nan 8.280 nan 0.000 0.497 503 R N 0.290 120.863 120.500 0.122 0.000 2.096 503 R HA -0.048 4.191 4.340 -0.168 0.000 0.235 503 R C 2.507 178.814 176.300 0.012 0.000 1.127 503 R CA 1.085 57.219 56.100 0.056 0.000 0.968 503 R CB -0.222 30.115 30.300 0.062 0.000 0.861 503 R HN 0.261 nan 8.270 nan 0.000 0.440 504 A N 1.102 123.947 122.820 0.042 0.000 1.930 504 A HA -0.147 4.072 4.320 -0.168 0.000 0.217 504 A C 2.059 179.428 177.584 -0.358 0.000 1.175 504 A CA 1.075 52.988 52.037 -0.207 0.000 0.627 504 A CB -0.297 18.635 19.000 -0.114 0.000 0.815 504 A HN 0.203 nan 8.150 nan 0.000 0.443 505 R N -0.605 119.773 120.500 -0.203 0.000 2.091 505 R HA -0.119 4.120 4.340 -0.168 0.000 0.238 505 R C 2.656 178.860 176.300 -0.161 0.000 1.136 505 R CA 1.571 57.568 56.100 -0.173 0.000 0.959 505 R CB -0.392 29.865 30.300 -0.071 0.000 0.856 505 R HN 0.561 nan 8.270 nan 0.000 0.437 506 S N 0.132 115.757 115.700 -0.126 0.000 2.355 506 S HA -0.098 4.271 4.470 -0.168 0.000 0.222 506 S C 2.035 176.544 174.600 -0.151 0.000 1.031 506 S CA 1.251 59.385 58.200 -0.111 0.000 0.993 506 S CB -0.136 63.019 63.200 -0.075 0.000 0.859 506 S HN 0.122 nan 8.310 nan 0.000 0.453 507 V N 2.488 122.268 119.914 -0.224 0.000 2.332 507 V HA -0.169 3.850 4.120 -0.168 0.000 0.248 507 V C 2.726 178.621 176.094 -0.331 0.000 1.055 507 V CA 2.310 64.439 62.300 -0.286 0.000 1.038 507 V CB -0.852 30.703 31.823 -0.446 0.000 0.651 507 V HN 0.511 nan 8.190 nan 0.000 0.450 508 R N 0.245 120.485 120.500 -0.434 0.000 2.073 508 R HA -0.175 4.064 4.340 -0.168 0.000 0.234 508 R C 2.334 178.553 176.300 -0.135 0.000 1.134 508 R CA 1.792 57.724 56.100 -0.279 0.000 0.952 508 R CB -0.515 29.637 30.300 -0.248 0.000 0.850 508 R HN 0.468 nan 8.270 nan 0.000 0.433 509 A N 1.003 123.748 122.820 -0.124 0.000 1.908 509 A HA -0.186 4.033 4.320 -0.168 0.000 0.218 509 A C 2.218 179.771 177.584 -0.053 0.000 1.181 509 A CA 1.650 53.641 52.037 -0.076 0.000 0.627 509 A CB -0.459 18.498 19.000 -0.071 0.000 0.818 509 A HN 0.378 nan 8.150 nan 0.000 0.445 510 R N -0.653 119.812 120.500 -0.057 0.000 2.081 510 R HA 0.008 4.247 4.340 -0.168 0.000 0.235 510 R C 2.083 178.382 176.300 -0.002 0.000 1.131 510 R CA 1.367 57.451 56.100 -0.026 0.000 0.960 510 R CB -0.458 29.827 30.300 -0.024 0.000 0.856 510 R HN 0.521 nan 8.270 nan 0.000 0.436 511 L N 0.310 121.531 121.223 -0.003 0.000 2.017 511 L HA -0.188 4.051 4.340 -0.168 0.000 0.208 511 L C 2.269 179.158 176.870 0.031 0.000 1.073 511 L CA 1.226 56.090 54.840 0.040 0.000 0.745 511 L CB -0.399 41.691 42.059 0.053 0.000 0.894 511 L HN 0.221 nan 8.230 nan 0.000 0.432 512 L N -0.924 120.303 121.223 0.006 0.000 2.079 512 L HA -0.219 4.020 4.340 -0.168 0.000 0.210 512 L C 2.649 179.523 176.870 0.007 0.000 1.081 512 L CA 1.085 55.928 54.840 0.005 0.000 0.752 512 L CB -0.489 41.562 42.059 -0.013 0.000 0.896 512 L HN 0.230 nan 8.230 nan 0.000 0.433 513 S N -0.687 115.015 115.700 0.003 0.000 2.419 513 S HA -0.198 4.171 4.470 -0.168 0.000 0.233 513 S C 1.798 176.406 174.600 0.014 0.000 1.016 513 S CA 1.060 59.263 58.200 0.004 0.000 0.974 513 S CB -0.169 63.030 63.200 -0.001 0.000 0.786 513 S HN 0.509 nan 8.310 nan 0.000 0.492 514 Q N 0.501 120.316 119.800 0.025 0.000 2.432 514 Q HA 0.228 4.467 4.340 -0.168 0.000 0.205 514 Q C 1.343 177.363 176.000 0.033 0.000 0.945 514 Q CA 0.285 56.108 55.803 0.033 0.000 0.924 514 Q CB -0.114 28.654 28.738 0.049 0.000 1.016 514 Q HN 0.551 nan 8.270 nan 0.000 0.503 515 G N 0.319 109.137 108.800 0.030 0.000 2.692 515 G HA2 -0.176 3.683 3.960 -0.168 0.000 0.248 515 G HA3 -0.176 3.683 3.960 -0.168 0.000 0.248 515 G C 0.451 175.373 174.900 0.037 0.000 1.340 515 G CA -0.246 44.871 45.100 0.029 0.000 0.896 515 G HN 0.731 nan 8.290 nan 0.000 0.570 516 G N -1.064 107.755 108.800 0.032 0.000 2.582 516 G HA2 -0.236 3.623 3.960 -0.168 0.000 0.288 516 G HA3 -0.236 3.623 3.960 -0.168 0.000 0.288 516 G C 1.112 176.036 174.900 0.040 0.000 1.247 516 G CA 1.382 46.502 45.100 0.033 0.000 0.972 516 G HN 1.477 nan 8.290 nan 0.000 0.557 517 R N 0.374 120.902 120.500 0.047 0.000 2.115 517 R HA 0.146 4.385 4.340 -0.168 0.000 0.230 517 R C 3.202 179.553 176.300 0.084 0.000 1.111 517 R CA 1.693 57.825 56.100 0.053 0.000 0.976 517 R CB -0.526 29.811 30.300 0.061 0.000 0.870 517 R HN 0.678 nan 8.270 nan 0.000 0.445 518 A N 1.575 124.456 122.820 0.102 0.000 1.883 518 A HA -0.176 4.043 4.320 -0.168 0.000 0.217 518 A C 2.401 180.043 177.584 0.096 0.000 1.186 518 A CA 1.855 53.971 52.037 0.132 0.000 0.624 518 A CB -0.667 18.406 19.000 0.122 0.000 0.822 518 A HN 0.391 nan 8.150 nan 0.000 0.444 519 A N -1.194 121.666 122.820 0.067 0.000 1.902 519 A HA -0.075 4.144 4.320 -0.168 0.000 0.217 519 A C 2.293 179.913 177.584 0.061 0.000 1.181 519 A CA 2.267 54.334 52.037 0.051 0.000 0.623 519 A CB -1.282 17.741 19.000 0.038 0.000 0.818 519 A HN 0.440 nan 8.150 nan 0.000 0.443 520 T N -0.644 113.948 114.554 0.063 0.000 2.720 520 T HA -0.205 4.044 4.350 -0.168 0.000 0.268 520 T C 1.910 176.651 174.700 0.068 0.000 1.037 520 T CA 1.609 63.755 62.100 0.077 0.000 1.144 520 T CB -0.711 68.146 68.868 -0.018 0.000 0.864 520 T HN 0.589 nan 8.240 nan 0.000 0.444 521 C N 1.300 120.620 119.300 0.033 0.000 2.413 521 C HA 0.012 4.371 4.460 -0.168 0.000 0.276 521 C C 3.117 178.104 174.990 -0.005 0.000 1.236 521 C CA 0.544 59.541 59.018 -0.034 0.000 1.735 521 C CB -1.556 26.170 27.740 -0.023 0.000 2.031 521 C HN 0.731 nan 8.230 nan 0.000 0.474 522 G N 0.225 109.069 108.800 0.074 0.000 2.446 522 G HA2 -0.308 3.551 3.960 -0.168 0.000 0.217 522 G HA3 -0.308 3.551 3.960 -0.168 0.000 0.217 522 G C 1.620 176.559 174.900 0.066 0.000 1.168 522 G CA 1.335 46.510 45.100 0.124 0.000 0.771 522 G HN 0.667 nan 8.290 nan 0.000 0.551 523 K N -0.979 119.433 120.400 0.020 0.000 2.001 523 K HA -0.057 4.162 4.320 -0.168 0.000 0.208 523 K C 2.237 178.718 176.600 -0.198 0.000 1.048 523 K CA 1.128 57.370 56.287 -0.076 0.000 0.932 523 K CB -0.283 32.185 32.500 -0.053 0.000 0.715 523 K HN 0.384 nan 8.250 nan 0.000 0.437 524 Y N 0.797 120.934 120.300 -0.270 0.000 2.201 524 Y HA 0.026 4.483 4.550 -0.154 0.000 0.292 524 Y C 2.032 177.703 175.900 -0.382 0.000 1.119 524 Y CA 0.860 58.651 58.100 -0.514 0.000 1.127 524 Y CB -0.052 37.843 38.460 -0.942 0.000 1.019 524 Y HN -0.054 nan 8.280 nan 0.000 0.514 525 L N -1.790 119.311 121.223 -0.204 0.000 2.201 525 L HA -0.138 4.101 4.340 -0.168 0.000 0.212 525 L C 0.694 177.281 176.870 -0.472 0.000 1.105 525 L CA 1.307 55.945 54.840 -0.336 0.000 0.775 525 L CB -0.337 41.267 42.059 -0.758 0.000 0.913 525 L HN 0.180 nan 8.230 nan 0.000 0.440 526 F N -1.650 118.236 119.950 -0.106 0.000 2.698 526 F HA 0.185 4.613 4.527 -0.166 0.000 0.304 526 F C 1.734 177.228 175.800 -0.510 0.000 1.108 526 F CA -0.383 57.344 58.000 -0.455 0.000 1.263 526 F CB -0.680 38.072 39.000 -0.412 0.000 1.013 526 F HN 0.015 nan 8.300 nan 0.000 0.532 527 N N 1.150 119.772 118.700 -0.130 0.000 2.289 527 N HA -0.181 4.458 4.740 -0.168 0.000 0.184 527 N C 1.993 177.484 175.510 -0.031 0.000 1.016 527 N CA 1.594 54.590 53.050 -0.090 0.000 0.872 527 N CB -0.114 38.333 38.487 -0.068 0.000 0.973 527 N HN 0.599 nan 8.380 nan 0.000 0.433 528 W N 0.483 121.830 121.300 0.077 0.000 2.364 528 W HA -0.018 4.540 4.660 -0.171 0.000 0.281 528 W C 1.454 178.034 176.519 0.102 0.000 1.219 528 W CA 0.696 58.095 57.345 0.090 0.000 1.220 528 W CB -0.674 28.847 29.460 0.102 0.000 1.127 528 W HN -0.016 nan 8.180 nan 0.000 0.556 529 A N 1.381 123.860 122.820 -0.568 0.000 2.123 529 A HA 0.197 4.417 4.320 -0.168 0.000 0.214 529 A C 1.056 178.532 177.584 -0.181 0.000 1.152 529 A CA 1.107 52.801 52.037 -0.571 0.000 0.728 529 A CB -0.791 17.627 19.000 -0.970 0.000 0.814 529 A HN 0.150 nan 8.150 nan 0.000 0.464 530 V N -3.575 116.265 119.914 -0.123 0.000 2.732 530 V HA 0.506 4.525 4.120 -0.168 0.000 0.310 530 V C 0.961 177.046 176.094 -0.015 0.000 1.053 530 V CA -1.131 61.130 62.300 -0.065 0.000 0.957 530 V CB 1.424 33.198 31.823 -0.081 0.000 1.018 530 V HN 0.336 nan 8.190 nan 0.000 0.452 531 R N 1.676 122.172 120.500 -0.006 0.000 2.062 531 R HA 0.027 4.266 4.340 -0.168 0.000 0.229 531 R C 0.883 177.179 176.300 -0.008 0.000 1.128 531 R CA 1.198 57.300 56.100 0.004 0.000 0.960 531 R CB -1.358 28.945 30.300 0.005 0.000 0.855 531 R HN 0.771 nan 8.270 nan 0.000 0.432 532 T N 3.210 117.754 114.554 -0.018 0.000 2.992 532 T HA 0.232 4.481 4.350 -0.168 0.000 0.299 532 T C -0.036 174.644 174.700 -0.033 0.000 1.027 532 T CA -0.168 61.918 62.100 -0.024 0.000 1.001 532 T CB 0.443 69.296 68.868 -0.025 0.000 1.005 532 T HN -0.008 nan 8.240 nan 0.000 0.599 533 K N 2.963 123.345 120.400 -0.029 0.000 2.312 533 K HA 0.303 4.522 4.320 -0.168 0.000 0.287 533 K C -0.129 176.439 176.600 -0.054 0.000 1.062 533 K CA -0.770 55.493 56.287 -0.039 0.000 0.934 533 K CB 0.418 32.907 32.500 -0.018 0.000 1.027 533 K HN 0.258 nan 8.250 nan 0.000 0.478 534 L N 3.118 124.293 121.223 -0.081 0.000 2.483 534 L HA 0.055 4.294 4.340 -0.168 0.000 0.276 534 L C 0.667 177.467 176.870 -0.115 0.000 1.213 534 L CA 0.477 55.256 54.840 -0.101 0.000 0.843 534 L CB 0.129 42.105 42.059 -0.137 0.000 1.107 534 L HN 0.490 nan 8.230 nan 0.000 0.487 535 K N 3.692 124.036 120.400 -0.094 0.000 2.383 535 K HA 0.241 4.461 4.320 -0.168 0.000 0.286 535 K C -1.033 175.486 176.600 -0.136 0.000 1.051 535 K CA -0.260 55.979 56.287 -0.080 0.000 0.974 535 K CB 0.169 32.644 32.500 -0.042 0.000 0.968 535 K HN 0.487 nan 8.250 nan 0.000 0.475 536 L N 5.345 126.479 121.223 -0.148 0.000 2.257 536 L HA 0.247 4.487 4.340 -0.168 0.000 0.290 536 L C 0.441 177.315 176.870 0.006 0.000 1.044 536 L CA -0.653 54.046 54.840 -0.236 0.000 0.810 536 L CB 1.258 43.138 42.059 -0.299 0.000 1.193 536 L HN 0.776 nan 8.230 nan 0.000 0.425 537 T N 0.645 115.255 114.554 0.093 0.000 2.950 537 T HA 0.575 4.824 4.350 -0.168 0.000 0.288 537 T C -2.666 172.176 174.700 0.236 0.000 1.035 537 T CA -2.486 59.700 62.100 0.143 0.000 1.028 537 T CB 1.669 70.593 68.868 0.094 0.000 1.109 537 T HN 0.166 nan 8.240 nan 0.000 0.514 538 P HA 0.173 nan 4.420 nan 0.000 0.262 538 P C -0.476 176.870 177.300 0.076 0.000 1.182 538 P CA -0.024 63.154 63.100 0.129 0.000 0.761 538 P CB 0.026 31.774 31.700 0.081 0.000 0.795 539 I N 6.686 127.251 120.570 -0.007 0.000 2.421 539 I HA 0.065 4.134 4.170 -0.168 0.000 0.291 539 I C -1.173 174.913 176.117 -0.051 0.000 1.089 539 I CA -1.522 59.716 61.300 -0.103 0.000 1.354 539 I CB 0.881 38.714 38.000 -0.279 0.000 1.413 539 I HN 0.339 nan 8.210 nan 0.000 0.513 540 P HA -0.145 nan 4.420 nan 0.000 0.217 540 P C 1.379 178.660 177.300 -0.033 0.000 1.150 540 P CA 0.876 63.964 63.100 -0.020 0.000 0.832 540 P CB 0.242 31.936 31.700 -0.010 0.000 0.787 541 A N -0.005 122.788 122.820 -0.044 0.000 2.125 541 A HA -0.006 4.214 4.320 -0.168 0.000 0.219 541 A C 2.255 179.803 177.584 -0.059 0.000 1.156 541 A CA 1.532 53.541 52.037 -0.048 0.000 0.671 541 A CB -1.405 17.566 19.000 -0.047 0.000 0.794 541 A HN 0.190 nan 8.150 nan 0.000 0.459 542 A N 0.698 123.478 122.820 -0.066 0.000 1.908 542 A HA -0.159 4.060 4.320 -0.168 0.000 0.218 542 A C 2.447 179.982 177.584 -0.081 0.000 1.181 542 A CA 2.264 54.257 52.037 -0.073 0.000 0.627 542 A CB -1.037 17.929 19.000 -0.057 0.000 0.818 542 A HN 1.098 nan 8.150 nan 0.000 0.445 543 S N -0.493 115.169 115.700 -0.064 0.000 2.500 543 S HA -0.193 4.177 4.470 -0.168 0.000 0.239 543 S C 1.644 176.197 174.600 -0.077 0.000 0.989 543 S CA 1.261 59.421 58.200 -0.067 0.000 0.951 543 S CB -0.486 62.688 63.200 -0.045 0.000 0.759 543 S HN 0.713 nan 8.310 nan 0.000 0.523 544 Q N 0.420 120.176 119.800 -0.074 0.000 2.297 544 Q HA 0.233 4.472 4.340 -0.168 0.000 0.204 544 Q C 0.154 176.095 176.000 -0.097 0.000 0.962 544 Q CA 0.271 56.031 55.803 -0.072 0.000 0.879 544 Q CB -0.286 28.419 28.738 -0.055 0.000 0.947 544 Q HN 0.565 nan 8.270 nan 0.000 0.462 545 L N 2.224 123.367 121.223 -0.133 0.000 2.462 545 L HA 0.014 4.254 4.340 -0.168 0.000 0.272 545 L C 0.094 176.825 176.870 -0.231 0.000 1.166 545 L CA -0.364 54.363 54.840 -0.189 0.000 0.880 545 L CB 0.227 42.129 42.059 -0.261 0.000 1.142 545 L HN 0.015 nan 8.230 nan 0.000 0.473 546 D N 4.256 124.531 120.400 -0.208 0.000 2.422 546 D HA 0.165 4.704 4.640 -0.168 0.000 0.227 546 D C 0.167 176.256 176.300 -0.351 0.000 1.190 546 D CA -0.247 53.631 54.000 -0.203 0.000 0.905 546 D CB 0.975 41.713 40.800 -0.102 0.000 1.034 546 D HN 0.194 nan 8.370 nan 0.000 0.507 547 L N 2.888 123.832 121.223 -0.464 0.000 2.769 547 L HA 0.183 4.422 4.340 -0.168 0.000 0.240 547 L C 2.137 178.795 176.870 -0.354 0.000 1.163 547 L CA 0.198 54.588 54.840 -0.750 0.000 0.962 547 L CB -0.564 40.954 42.059 -0.901 0.000 1.258 547 L HN 0.292 nan 8.230 nan 0.000 0.513 548 S N -0.331 115.258 115.700 -0.186 0.000 2.380 548 S HA -0.171 4.198 4.470 -0.168 0.000 0.229 548 S C 1.714 176.291 174.600 -0.039 0.000 1.043 548 S CA 1.874 60.026 58.200 -0.080 0.000 1.038 548 S CB 0.006 63.179 63.200 -0.044 0.000 0.872 548 S HN 0.487 nan 8.310 nan 0.000 0.456 549 S N -0.170 115.511 115.700 -0.033 0.000 2.582 549 S HA 0.204 4.573 4.470 -0.168 0.000 0.234 549 S C -0.301 174.198 174.600 -0.168 0.000 0.961 549 S CA -0.462 57.698 58.200 -0.067 0.000 0.953 549 S CB 0.076 63.239 63.200 -0.062 0.000 0.800 549 S HN 0.405 nan 8.310 nan 0.000 0.471 550 W N 0.525 121.560 121.300 -0.442 0.000 2.183 550 W HA 0.472 5.106 4.660 -0.043 0.000 0.348 550 W C 0.395 176.672 176.519 -0.403 0.000 1.257 550 W CA -1.113 55.878 57.345 -0.590 0.000 1.324 550 W CB -0.310 28.459 29.460 -1.152 0.000 1.144 550 W HN 0.186 nan 8.180 nan 0.000 0.622 551 F N -1.832 118.189 119.950 0.119 0.000 2.840 551 F HA -0.220 4.219 4.527 -0.148 0.000 0.310 551 F C 0.260 176.174 175.800 0.190 0.000 0.688 551 F CA -0.502 57.585 58.000 0.145 0.000 1.286 551 F CB -2.420 36.728 39.000 0.247 0.000 1.612 551 F HN -0.083 nan 8.300 nan 0.000 0.335 552 V N 1.162 121.198 119.914 0.203 0.000 2.485 552 V HA 0.466 4.485 4.120 -0.168 0.000 0.287 552 V C 1.055 177.133 176.094 -0.027 0.000 1.022 552 V CA -0.286 62.065 62.300 0.084 0.000 1.067 552 V CB 0.729 32.573 31.823 0.035 0.000 0.967 552 V HN 0.432 nan 8.190 nan 0.000 0.479 553 A N 4.249 126.927 122.820 -0.237 0.000 2.440 553 A HA 0.579 4.798 4.320 -0.168 0.000 0.251 553 A C 1.220 178.621 177.584 -0.305 0.000 1.089 553 A CA 0.293 52.007 52.037 -0.539 0.000 0.779 553 A CB 0.526 18.686 19.000 -1.400 0.000 1.022 553 A HN 1.104 nan 8.150 nan 0.000 0.492 554 G N 0.853 109.427 108.800 -0.376 0.000 3.377 554 G HA2 0.367 4.226 3.960 -0.168 0.000 0.257 554 G HA3 0.367 4.226 3.960 -0.168 0.000 0.257 554 G C -0.153 174.630 174.900 -0.195 0.000 1.038 554 G CA -0.172 44.785 45.100 -0.237 0.000 0.809 554 G HN 0.611 nan 8.290 nan 0.000 0.526 555 Y N 0.955 121.237 120.300 -0.031 0.000 2.511 555 Y HA 0.261 4.711 4.550 -0.166 0.000 0.332 555 Y C 1.508 177.434 175.900 0.043 0.000 1.177 555 Y CA 0.175 58.289 58.100 0.023 0.000 1.422 555 Y CB 1.349 39.839 38.460 0.050 0.000 1.271 555 Y HN -0.008 nan 8.280 nan 0.000 0.550 556 S N 1.107 116.934 115.700 0.211 0.000 2.539 556 S HA 0.070 4.439 4.470 -0.168 0.000 0.221 556 S C 1.916 176.578 174.600 0.103 0.000 0.987 556 S CA 0.324 58.645 58.200 0.203 0.000 0.929 556 S CB 0.327 63.647 63.200 0.201 0.000 0.832 556 S HN 1.037 nan 8.310 nan 0.000 0.492 557 G N 1.390 110.232 108.800 0.069 0.000 2.464 557 G HA2 0.282 4.141 3.960 -0.168 0.000 0.217 557 G HA3 0.282 4.141 3.960 -0.168 0.000 0.217 557 G C 1.196 176.067 174.900 -0.048 0.000 1.138 557 G CA 0.446 45.552 45.100 0.009 0.000 0.793 557 G HN 0.754 nan 8.290 nan 0.000 0.539 558 G N 0.110 108.878 108.800 -0.053 0.000 2.168 558 G HA2 -0.295 3.564 3.960 -0.168 0.000 0.257 558 G HA3 -0.295 3.564 3.960 -0.168 0.000 0.257 558 G C 0.483 175.335 174.900 -0.079 0.000 0.997 558 G CA 0.689 45.736 45.100 -0.088 0.000 0.708 558 G HN 0.511 nan 8.290 nan 0.000 0.520 559 D N 0.294 120.658 120.400 -0.059 0.000 2.690 559 D HA 0.325 4.864 4.640 -0.168 0.000 0.236 559 D C 0.673 176.944 176.300 -0.049 0.000 1.218 559 D CA -0.219 53.748 54.000 -0.055 0.000 0.829 559 D CB -0.114 40.664 40.800 -0.037 0.000 1.009 559 D HN 0.275 nan 8.370 nan 0.000 0.482 560 I N 1.110 121.643 120.570 -0.063 0.000 2.474 560 I HA 0.296 4.365 4.170 -0.168 0.000 0.294 560 I C -0.801 175.229 176.117 -0.144 0.000 1.005 560 I CA -0.982 60.264 61.300 -0.090 0.000 1.113 560 I CB 1.229 39.229 38.000 -0.001 0.000 1.289 560 I HN -0.076 nan 8.210 nan 0.000 0.436 561 Y N 5.345 125.386 120.300 -0.431 0.000 2.425 561 Y HA 0.535 4.991 4.550 -0.156 0.000 0.344 561 Y C -0.783 174.689 175.900 -0.714 0.000 0.969 561 Y CA -0.413 57.401 58.100 -0.476 0.000 1.052 561 Y CB 1.244 39.500 38.460 -0.341 0.000 1.215 561 Y HN 0.474 nan 8.280 nan 0.000 0.451 562 H N 2.673 121.177 119.070 -0.943 0.000 2.806 562 H HA 0.357 4.815 4.556 -0.164 0.000 0.367 562 H C -1.234 173.661 175.328 -0.722 0.000 1.136 562 H CA -0.720 54.909 56.048 -0.699 0.000 1.178 562 H CB 2.494 31.891 29.762 -0.609 0.000 1.718 562 H HN 0.526 nan 8.280 nan 0.000 0.540 563 S N 2.613 118.153 115.700 -0.266 0.000 2.451 563 S HA 0.242 4.612 4.470 -0.168 0.000 0.301 563 S C -0.482 174.156 174.600 0.065 0.000 1.116 563 S CA -0.780 57.334 58.200 -0.144 0.000 1.093 563 S CB 0.516 63.666 63.200 -0.083 0.000 1.017 563 S HN 0.400 nan 8.310 nan 0.000 0.482 564 L N 5.145 126.448 121.223 0.134 0.000 2.477 564 L HA 0.464 4.703 4.340 -0.168 0.000 0.272 564 L C 0.240 177.162 176.870 0.087 0.000 1.157 564 L CA 1.040 56.002 54.840 0.202 0.000 0.889 564 L CB 0.508 42.701 42.059 0.224 0.000 1.158 564 L HN 0.724 nan 8.230 nan 0.000 0.473 565 S N 0.000 115.733 115.700 0.055 0.000 2.498 565 S HA 0.000 4.369 4.470 -0.168 0.000 0.327 565 S CA 0.000 58.209 58.200 0.015 0.000 1.107 565 S CB 0.000 63.213 63.200 0.022 0.000 0.593 565 S HN 0.000 nan 8.310 nan 0.000 0.517