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 2iid_1_A DATA FIRST_RESID 4 DATA SEQUENCE RNPLAEcFQE NDYEEFLEIA RNGLKATSNP KHVVIVGAGM AGLSAAYVLA DATA SEQUENCE GAGHQVTVLE ASERPGGRVR TYRNEEAGWY ANLGPMRLPE KHRIVREYIR DATA SEQUENCE KFDLRLNEFS QENDNAWYFI KNIRKKVGEV KKDPGLLKYP VKPSEAGKSA DATA SEQUENCE GQLYEESLGK VVEELKRTNc SYILNKYDTY STKEYLIKEG DLSPGAVDMI DATA SEQUENCE GDLLNEDSGY YVSFIESLKH DDIFAYEKRF DEIVDGMDKL PTAMYRDIQD DATA SEQUENCE KVHFNAQVIK IQQNDQKVTV VYETLSKETP SVTADYVIVC TTSRAVRLIK DATA SEQUENCE FNPPLLPKKA HALRSVHYRS GTKIFLTcTT KFWEDDGIHG GKSTTDLPSR DATA SEQUENCE FIYYPNHNFT NGVGVIIAYG IGDDANFFQA LDFKDCADIV FNDLSLIHQL DATA SEQUENCE PKKDIQSFcY PSVIQKWSLD KYAMGGITTF TPYQFQHFSD PLTASQGRIY DATA SEQUENCE FAGEYTAQAH GWIDSTIKSG LRAARDVNLA SEN 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.212 176.300 -0.146 0.000 0.893 4 R CA 0.000 56.111 56.100 0.017 0.000 0.921 4 R CB 0.000 30.292 30.300 -0.013 0.000 0.687 5 N N 4.731 123.036 118.700 -0.657 0.000 2.438 5 N HA 0.092 4.832 4.740 0.000 0.000 0.267 5 N C -1.207 174.140 175.510 -0.272 0.000 1.222 5 N CA -1.404 51.179 53.050 -0.779 0.000 0.930 5 N CB 0.857 38.684 38.487 -1.100 0.000 1.083 5 N HN 0.297 nan 8.380 nan 0.000 0.476 6 P HA -0.096 nan 4.420 nan 0.000 0.225 6 P C 0.864 178.110 177.300 -0.089 0.000 1.148 6 P CA 1.035 64.094 63.100 -0.068 0.000 0.779 6 P CB 0.370 32.062 31.700 -0.013 0.000 0.780 7 L N -1.480 119.689 121.223 -0.089 0.000 2.607 7 L HA 0.243 4.583 4.340 0.000 0.000 0.228 7 L C 2.431 179.199 176.870 -0.170 0.000 1.123 7 L CA 0.176 54.950 54.840 -0.111 0.000 0.890 7 L CB -0.718 41.354 42.059 0.020 0.000 1.103 7 L HN -0.123 nan 8.230 nan 0.000 0.468 8 A N 1.036 123.770 122.820 -0.144 0.000 1.940 8 A HA -0.314 4.006 4.320 0.000 0.000 0.221 8 A C 2.217 179.698 177.584 -0.171 0.000 1.190 8 A CA 2.365 54.322 52.037 -0.132 0.000 0.647 8 A CB -0.424 18.472 19.000 -0.174 0.000 0.821 8 A HN 0.506 nan 8.150 nan 0.000 0.457 9 E N -0.936 119.144 120.200 -0.199 0.000 2.204 9 E HA -0.174 4.176 4.350 0.000 0.000 0.195 9 E C 1.485 177.920 176.600 -0.276 0.000 0.990 9 E CA 1.515 57.799 56.400 -0.193 0.000 0.821 9 E CB -0.351 29.258 29.700 -0.153 0.000 0.750 9 E HN 0.657 nan 8.360 nan 0.000 0.477 10 c N -0.123 118.183 118.600 -0.490 0.000 2.618 10 c HA 0.170 4.740 4.570 0.000 0.000 0.264 10 c C 0.648 174.234 174.090 -0.840 0.000 1.334 10 c CA -0.412 55.494 56.329 -0.705 0.000 1.731 10 c CB -0.900 41.060 42.510 -0.917 0.000 1.852 10 c HN 0.334 nan 8.230 nan 0.000 0.566 11 F N 0.637 120.485 119.950 -0.169 0.000 2.735 11 F HA 0.282 4.809 4.527 0.000 0.000 0.304 11 F C 0.803 176.491 175.800 -0.188 0.000 1.119 11 F CA -0.609 57.276 58.000 -0.191 0.000 1.280 11 F CB -0.649 38.225 39.000 -0.210 0.000 0.994 11 F HN 0.213 nan 8.300 nan 0.000 0.520 12 Q N 1.101 120.859 119.800 -0.070 0.000 2.327 12 Q HA 0.161 4.501 4.340 0.000 0.000 0.254 12 Q C 0.200 176.165 176.000 -0.059 0.000 0.952 12 Q CA -0.324 55.422 55.803 -0.095 0.000 0.884 12 Q CB 1.140 29.827 28.738 -0.086 0.000 1.224 12 Q HN 0.159 nan 8.270 nan 0.000 0.422 13 E N 1.953 122.110 120.200 -0.072 0.000 2.360 13 E HA 0.003 4.353 4.350 0.000 0.000 0.269 13 E C -0.401 176.279 176.600 0.133 0.000 1.022 13 E CA -0.248 56.181 56.400 0.047 0.000 0.887 13 E CB 0.514 30.310 29.700 0.160 0.000 0.990 13 E HN 0.415 nan 8.360 nan 0.000 0.426 14 N N 2.380 121.161 118.700 0.135 0.000 2.412 14 N HA -0.112 4.629 4.740 0.000 0.000 0.258 14 N C -0.628 175.049 175.510 0.278 0.000 1.236 14 N CA 0.468 53.617 53.050 0.164 0.000 0.882 14 N CB 0.242 38.820 38.487 0.152 0.000 1.066 14 N HN 0.298 nan 8.380 nan 0.000 0.465 15 D N 1.379 121.895 120.400 0.194 0.000 2.772 15 D HA -0.275 4.365 4.640 0.000 0.000 0.233 15 D C 0.253 176.690 176.300 0.229 0.000 1.143 15 D CA 0.497 54.579 54.000 0.136 0.000 0.700 15 D CB -1.468 39.348 40.800 0.025 0.000 1.076 15 D HN 0.609 nan 8.370 nan 0.000 0.430 16 Y N 0.665 121.046 120.300 0.134 0.000 2.097 16 Y HA -0.245 4.305 4.550 0.000 0.000 0.282 16 Y C 2.369 178.321 175.900 0.086 0.000 1.152 16 Y CA 2.654 60.837 58.100 0.139 0.000 1.136 16 Y CB -0.043 38.451 38.460 0.057 0.000 0.975 16 Y HN 0.286 nan 8.280 nan 0.000 0.498 17 E N 0.025 120.284 120.200 0.099 0.000 2.070 17 E HA -0.303 4.047 4.350 0.000 0.000 0.197 17 E C 1.957 178.495 176.600 -0.104 0.000 1.004 17 E CA 1.972 58.364 56.400 -0.013 0.000 0.805 17 E CB -0.229 29.479 29.700 0.014 0.000 0.744 17 E HN 0.684 nan 8.360 nan 0.000 0.451 18 E N -0.600 119.515 120.200 -0.142 0.000 2.051 18 E HA -0.176 4.174 4.350 0.000 0.000 0.192 18 E C 1.950 178.357 176.600 -0.321 0.000 0.991 18 E CA 1.324 57.565 56.400 -0.265 0.000 0.799 18 E CB -0.213 29.254 29.700 -0.388 0.000 0.748 18 E HN 0.316 nan 8.360 nan 0.000 0.449 19 F N 0.506 120.378 119.950 -0.130 0.000 2.216 19 F HA -0.138 4.389 4.527 0.000 0.000 0.300 19 F C 2.170 177.830 175.800 -0.233 0.000 1.085 19 F CA 0.552 58.455 58.000 -0.162 0.000 1.326 19 F CB -0.458 38.445 39.000 -0.161 0.000 1.027 19 F HN 0.061 nan 8.300 nan 0.000 0.497 20 L N 0.481 121.588 121.223 -0.194 0.000 2.046 20 L HA -0.180 4.160 4.340 0.000 0.000 0.208 20 L C 2.329 179.107 176.870 -0.154 0.000 1.077 20 L CA 1.841 56.540 54.840 -0.236 0.000 0.747 20 L CB -0.913 40.976 42.059 -0.282 0.000 0.896 20 L HN 0.102 nan 8.230 nan 0.000 0.432 21 E N -0.077 120.046 120.200 -0.128 0.000 2.077 21 E HA -0.211 4.140 4.350 0.000 0.000 0.193 21 E C 2.092 178.640 176.600 -0.086 0.000 0.989 21 E CA 1.784 58.120 56.400 -0.106 0.000 0.800 21 E CB -0.413 29.226 29.700 -0.101 0.000 0.746 21 E HN 0.610 nan 8.360 nan 0.000 0.452 22 I N 0.468 121.001 120.570 -0.062 0.000 2.163 22 I HA -0.307 3.863 4.170 0.000 0.000 0.243 22 I C 2.400 178.524 176.117 0.012 0.000 1.085 22 I CA 1.211 62.514 61.300 0.004 0.000 1.347 22 I CB -0.463 37.584 38.000 0.078 0.000 1.044 22 I HN 0.214 nan 8.210 nan 0.000 0.408 23 A N 0.766 123.561 122.820 -0.043 0.000 1.908 23 A HA -0.221 4.099 4.320 0.000 0.000 0.218 23 A C 2.420 179.780 177.584 -0.373 0.000 1.181 23 A CA 1.631 53.519 52.037 -0.248 0.000 0.627 23 A CB -0.552 18.243 19.000 -0.341 0.000 0.818 23 A HN 0.331 nan 8.150 nan 0.000 0.445 24 R N -0.939 119.415 120.500 -0.243 0.000 2.061 24 R HA -0.026 4.314 4.340 0.000 0.000 0.230 24 R C 0.735 176.960 176.300 -0.125 0.000 1.140 24 R CA 1.466 57.444 56.100 -0.203 0.000 0.940 24 R CB -0.218 29.993 30.300 -0.149 0.000 0.839 24 R HN 0.472 nan 8.270 nan 0.000 0.429 25 N N -0.786 117.867 118.700 -0.078 0.000 2.171 25 N HA 0.134 4.874 4.740 0.000 0.000 0.212 25 N C 0.107 175.610 175.510 -0.013 0.000 1.184 25 N CA 0.734 53.758 53.050 -0.043 0.000 0.888 25 N CB 1.737 40.195 38.487 -0.049 0.000 1.038 25 N HN 0.317 nan 8.380 nan 0.000 0.517 26 G N 1.074 109.882 108.800 0.014 0.000 2.781 26 G HA2 -0.220 3.740 3.960 0.000 0.000 0.683 26 G HA3 -0.220 3.740 3.960 0.000 0.000 0.683 26 G C -0.496 174.420 174.900 0.027 0.000 1.390 26 G CA -0.774 44.354 45.100 0.048 0.000 0.850 26 G HN 0.136 nan 8.290 nan 0.000 0.557 27 L N 0.474 121.723 121.223 0.042 0.000 2.476 27 L HA 0.251 4.591 4.340 0.000 0.000 0.264 27 L C 1.593 178.463 176.870 -0.000 0.000 1.224 27 L CA -0.251 54.603 54.840 0.025 0.000 0.821 27 L CB 0.446 42.534 42.059 0.048 0.000 1.101 27 L HN 0.711 nan 8.230 nan 0.000 0.488 28 K N 2.196 122.590 120.400 -0.010 0.000 2.436 28 K HA 0.140 4.460 4.320 0.000 0.000 0.282 28 K C -0.250 176.336 176.600 -0.023 0.000 1.044 28 K CA -0.409 55.867 56.287 -0.020 0.000 1.028 28 K CB 0.634 33.122 32.500 -0.021 0.000 0.919 28 K HN 0.653 nan 8.250 nan 0.000 0.474 29 A N 4.123 126.920 122.820 -0.038 0.000 2.587 29 A HA -0.024 4.296 4.320 0.000 0.000 0.235 29 A C 0.382 177.921 177.584 -0.075 0.000 1.044 29 A CA 0.460 52.458 52.037 -0.064 0.000 0.754 29 A CB 0.131 19.094 19.000 -0.061 0.000 0.968 29 A HN 0.805 nan 8.150 nan 0.000 0.509 30 T N 0.975 115.445 114.554 -0.140 0.000 2.897 30 T HA 0.357 4.707 4.350 0.000 0.000 0.294 30 T C 1.313 175.953 174.700 -0.100 0.000 1.004 30 T CA 0.131 62.148 62.100 -0.138 0.000 1.106 30 T CB 0.341 69.004 68.868 -0.340 0.000 0.949 30 T HN 1.056 nan 8.240 nan 0.000 0.520 31 S N 3.119 118.792 115.700 -0.046 0.000 2.556 31 S HA 0.200 4.670 4.470 0.000 0.000 0.216 31 S C 0.549 175.141 174.600 -0.014 0.000 0.970 31 S CA -0.485 57.697 58.200 -0.030 0.000 0.912 31 S CB -0.119 63.073 63.200 -0.012 0.000 0.790 31 S HN 0.629 nan 8.310 nan 0.000 0.504 32 N N 2.346 121.043 118.700 -0.005 0.000 2.716 32 N HA 0.353 5.093 4.740 0.000 0.000 0.245 32 N C -3.309 172.251 175.510 0.083 0.000 1.495 32 N CA -1.607 51.469 53.050 0.044 0.000 0.759 32 N CB 1.278 39.810 38.487 0.076 0.000 1.261 32 N HN 0.062 nan 8.380 nan 0.000 0.515 33 P HA 0.176 nan 4.420 nan 0.000 0.268 33 P C -0.541 176.915 177.300 0.261 0.000 1.205 33 P CA 0.066 63.197 63.100 0.053 0.000 0.771 33 P CB 1.190 32.870 31.700 -0.033 0.000 0.858 34 K N 1.184 121.914 120.400 0.550 0.000 2.378 34 K HA 0.405 4.725 4.320 0.000 0.000 0.244 34 K C -0.648 176.141 176.600 0.314 0.000 1.039 34 K CA -0.814 55.679 56.287 0.343 0.000 0.863 34 K CB 1.132 33.823 32.500 0.319 0.000 1.326 34 K HN 0.555 nan 8.250 nan 0.000 0.460 35 H N 0.577 119.710 119.070 0.105 0.000 2.504 35 H HA 0.479 5.035 4.556 0.000 0.000 0.322 35 H C -1.387 173.979 175.328 0.063 0.000 1.055 35 H CA -0.703 55.387 56.048 0.070 0.000 1.231 35 H CB 0.540 30.325 29.762 0.039 0.000 1.417 35 H HN 0.120 nan 8.280 nan 0.000 0.472 36 V N 6.552 126.567 119.914 0.169 0.000 2.487 36 V HA 0.275 4.395 4.120 0.000 0.000 0.298 36 V C -0.261 175.804 176.094 -0.047 0.000 1.028 36 V CA -0.903 61.402 62.300 0.009 0.000 0.860 36 V CB 1.753 33.567 31.823 -0.014 0.000 0.991 36 V HN 0.568 nan 8.190 nan 0.000 0.427 37 V N 5.870 125.710 119.914 -0.124 0.000 2.481 37 V HA 0.475 4.595 4.120 0.000 0.000 0.286 37 V C -0.167 175.900 176.094 -0.046 0.000 1.042 37 V CA -0.454 61.791 62.300 -0.093 0.000 0.928 37 V CB 1.670 33.418 31.823 -0.125 0.000 0.986 37 V HN 0.572 nan 8.190 nan 0.000 0.462 38 I N 5.258 125.807 120.570 -0.036 0.000 2.389 38 I HA 0.371 4.541 4.170 0.000 0.000 0.288 38 I C -0.184 175.907 176.117 -0.042 0.000 0.999 38 I CA -0.597 60.684 61.300 -0.033 0.000 1.129 38 I CB 1.707 39.691 38.000 -0.025 0.000 1.288 38 I HN 0.230 nan 8.210 nan 0.000 0.444 39 V N 5.115 125.013 119.914 -0.027 0.000 2.333 39 V HA 0.784 4.904 4.120 0.000 0.000 0.274 39 V C 0.530 176.622 176.094 -0.004 0.000 1.028 39 V CA -0.327 61.959 62.300 -0.024 0.000 0.851 39 V CB 0.625 32.449 31.823 0.003 0.000 1.000 39 V HN 1.073 nan 8.190 nan 0.000 0.456 40 G N 4.138 112.919 108.800 -0.032 0.000 3.233 40 G HA2 0.297 4.257 3.960 0.000 0.000 0.686 40 G HA3 0.297 4.257 3.960 0.000 0.000 0.686 40 G C -0.235 174.653 174.900 -0.020 0.000 1.153 40 G CA -0.330 44.759 45.100 -0.018 0.000 0.853 40 G HN 1.460 nan 8.290 nan 0.000 0.582 41 A N 1.814 124.620 122.820 -0.024 0.000 3.159 41 A HA 0.789 5.109 4.320 0.000 0.000 0.301 41 A C 1.325 178.918 177.584 0.014 0.000 1.271 41 A CA 1.048 53.081 52.037 -0.008 0.000 0.998 41 A CB -0.221 18.771 19.000 -0.013 0.000 1.101 41 A HN 2.098 nan 8.150 nan 0.000 0.610 42 G N -0.999 107.810 108.800 0.015 0.000 2.508 42 G HA2 0.394 4.355 3.960 0.000 0.000 0.278 42 G HA3 0.394 4.355 3.960 0.000 0.000 0.278 42 G C 1.004 175.903 174.900 -0.001 0.000 1.389 42 G CA -0.447 44.662 45.100 0.015 0.000 1.050 42 G HN 0.125 nan 8.290 nan 0.000 0.522 43 M N 0.078 119.672 119.600 -0.010 0.000 2.159 43 M HA -0.065 4.415 4.480 0.000 0.000 0.263 43 M C 2.856 179.133 176.300 -0.038 0.000 1.063 43 M CA 1.477 56.757 55.300 -0.034 0.000 1.110 43 M CB -1.682 30.901 32.600 -0.030 0.000 1.374 43 M HN 0.582 nan 8.290 nan 0.000 0.411 44 A N 0.223 123.035 122.820 -0.013 0.000 1.858 44 A HA -0.010 4.310 4.320 0.000 0.000 0.216 44 A C 2.465 180.042 177.584 -0.010 0.000 1.190 44 A CA 2.055 54.084 52.037 -0.013 0.000 0.617 44 A CB -1.486 17.518 19.000 0.007 0.000 0.827 44 A HN 0.488 nan 8.150 nan 0.000 0.443 45 G N -0.364 108.438 108.800 0.003 0.000 2.418 45 G HA2 -0.145 3.815 3.960 0.000 0.000 0.217 45 G HA3 -0.145 3.815 3.960 0.000 0.000 0.217 45 G C 1.578 176.478 174.900 -0.001 0.000 1.158 45 G CA 1.009 46.109 45.100 0.002 0.000 0.771 45 G HN 0.412 nan 8.290 nan 0.000 0.545 46 L N 0.695 121.914 121.223 -0.007 0.000 2.083 46 L HA -0.086 4.254 4.340 0.000 0.000 0.209 46 L C 3.203 180.077 176.870 0.005 0.000 1.083 46 L CA 1.193 56.035 54.840 0.003 0.000 0.752 46 L CB -0.288 41.760 42.059 -0.018 0.000 0.899 46 L HN 0.188 nan 8.230 nan 0.000 0.433 47 S N -0.237 115.430 115.700 -0.055 0.000 2.355 47 S HA -0.130 4.340 4.470 0.000 0.000 0.222 47 S C 2.199 176.827 174.600 0.048 0.000 1.031 47 S CA 1.105 59.259 58.200 -0.078 0.000 0.993 47 S CB -0.270 62.847 63.200 -0.137 0.000 0.859 47 S HN 0.491 nan 8.310 nan 0.000 0.453 48 A N 1.754 124.588 122.820 0.024 0.000 1.883 48 A HA 0.026 4.346 4.320 0.000 0.000 0.217 48 A C 2.362 179.976 177.584 0.049 0.000 1.186 48 A CA 1.870 53.923 52.037 0.027 0.000 0.624 48 A CB -1.181 17.814 19.000 -0.007 0.000 0.822 48 A HN 0.519 nan 8.150 nan 0.000 0.444 49 A N -1.671 121.180 122.820 0.052 0.000 1.877 49 A HA -0.112 4.208 4.320 0.000 0.000 0.216 49 A C 2.159 179.800 177.584 0.095 0.000 1.186 49 A CA 1.683 53.753 52.037 0.056 0.000 0.620 49 A CB -0.874 18.149 19.000 0.038 0.000 0.822 49 A HN 0.712 nan 8.150 nan 0.000 0.443 50 Y N 0.970 121.279 120.300 0.015 0.000 2.097 50 Y HA -0.245 4.305 4.550 0.000 0.000 0.282 50 Y C 2.559 178.508 175.900 0.082 0.000 1.152 50 Y CA 2.651 60.783 58.100 0.053 0.000 1.136 50 Y CB -0.232 38.267 38.460 0.064 0.000 0.975 50 Y HN 0.214 nan 8.280 nan 0.000 0.498 51 V N -1.670 118.386 119.914 0.238 0.000 2.591 51 V HA -0.183 3.937 4.120 0.000 0.000 0.249 51 V C 2.091 178.231 176.094 0.078 0.000 1.053 51 V CA 1.709 64.107 62.300 0.163 0.000 1.068 51 V CB -0.988 30.968 31.823 0.222 0.000 0.689 51 V HN 0.447 nan 8.190 nan 0.000 0.462 52 L N 0.846 122.116 121.223 0.079 0.000 2.046 52 L HA -0.041 4.299 4.340 0.000 0.000 0.208 52 L C 3.076 180.011 176.870 0.108 0.000 1.077 52 L CA 1.717 56.627 54.840 0.117 0.000 0.747 52 L CB -0.907 41.184 42.059 0.053 0.000 0.896 52 L HN 0.431 nan 8.230 nan 0.000 0.432 53 A N 0.386 123.220 122.820 0.023 0.000 1.877 53 A HA -0.143 4.178 4.320 0.000 0.000 0.216 53 A C 2.415 179.949 177.584 -0.084 0.000 1.186 53 A CA 1.764 53.782 52.037 -0.032 0.000 0.620 53 A CB -1.351 17.600 19.000 -0.082 0.000 0.822 53 A HN 0.440 nan 8.150 nan 0.000 0.443 54 G N -0.600 108.115 108.800 -0.142 0.000 2.442 54 G HA2 -0.003 3.957 3.960 0.000 0.000 0.219 54 G HA3 -0.003 3.957 3.960 0.000 0.000 0.219 54 G C 1.577 176.432 174.900 -0.075 0.000 1.141 54 G CA 1.334 46.350 45.100 -0.140 0.000 0.763 54 G HN 0.876 nan 8.290 nan 0.000 0.554 55 A N -0.607 122.191 122.820 -0.037 0.000 2.167 55 A HA 0.448 4.768 4.320 0.000 0.000 0.214 55 A C 2.006 179.499 177.584 -0.152 0.000 1.151 55 A CA 1.488 53.493 52.037 -0.054 0.000 0.735 55 A CB -0.308 18.703 19.000 0.020 0.000 0.802 55 A HN 1.621 nan 8.150 nan 0.000 0.467 56 G N -2.011 106.708 108.800 -0.136 0.000 2.168 56 G HA2 -0.169 3.791 3.960 0.000 0.000 0.197 56 G HA3 -0.169 3.791 3.960 0.000 0.000 0.197 56 G C -0.020 174.769 174.900 -0.184 0.000 0.997 56 G CA 0.134 45.135 45.100 -0.166 0.000 0.658 56 G HN 0.708 nan 8.290 nan 0.000 0.513 57 H N 0.304 119.370 119.070 -0.007 0.000 2.547 57 H HA 0.542 5.098 4.556 0.000 0.000 0.362 57 H C 0.621 175.958 175.328 0.015 0.000 1.181 57 H CA 0.182 56.241 56.048 0.019 0.000 1.376 57 H CB 0.773 30.556 29.762 0.035 0.000 1.488 57 H HN 0.280 nan 8.280 nan 0.000 0.583 58 Q N 2.117 122.025 119.800 0.181 0.000 2.286 58 Q HA 0.350 4.691 4.340 0.000 0.000 0.257 58 Q C -1.124 174.987 176.000 0.186 0.000 0.941 58 Q CA -0.750 55.102 55.803 0.082 0.000 0.912 58 Q CB 0.725 29.424 28.738 -0.064 0.000 1.192 58 Q HN 0.521 nan 8.270 nan 0.000 0.410 59 V N 1.221 121.211 119.914 0.127 0.000 2.735 59 V HA 0.714 4.834 4.120 0.000 0.000 0.310 59 V C -0.867 175.317 176.094 0.151 0.000 1.061 59 V CA -0.451 61.941 62.300 0.154 0.000 0.913 59 V CB 2.223 34.090 31.823 0.074 0.000 1.005 59 V HN 0.728 nan 8.190 nan 0.000 0.428 60 T N 4.478 119.148 114.554 0.193 0.000 2.847 60 T HA 0.600 4.951 4.350 0.000 0.000 0.291 60 T C -0.562 174.172 174.700 0.057 0.000 0.998 60 T CA -0.322 61.885 62.100 0.178 0.000 0.967 60 T CB 1.357 70.391 68.868 0.277 0.000 0.954 60 T HN 0.773 nan 8.240 nan 0.000 0.441 61 V N 5.484 125.387 119.914 -0.019 0.000 2.370 61 V HA 0.471 4.591 4.120 0.000 0.000 0.283 61 V C -0.234 175.775 176.094 -0.142 0.000 1.023 61 V CA -0.801 61.443 62.300 -0.093 0.000 0.857 61 V CB 1.232 32.976 31.823 -0.132 0.000 0.985 61 V HN 0.728 nan 8.190 nan 0.000 0.443 62 L N 4.452 125.581 121.223 -0.158 0.000 2.276 62 L HA 0.613 4.953 4.340 0.000 0.000 0.286 62 L C -0.242 176.511 176.870 -0.194 0.000 1.024 62 L CA -0.401 54.296 54.840 -0.237 0.000 0.826 62 L CB 1.507 43.377 42.059 -0.314 0.000 1.211 62 L HN 0.615 nan 8.230 nan 0.000 0.422 63 E N 2.321 122.392 120.200 -0.215 0.000 2.158 63 E HA 0.503 4.853 4.350 0.000 0.000 0.271 63 E C 0.326 176.856 176.600 -0.116 0.000 0.911 63 E CA -0.313 56.001 56.400 -0.143 0.000 0.767 63 E CB 2.069 31.711 29.700 -0.097 0.000 1.120 63 E HN 0.556 nan 8.360 nan 0.000 0.405 64 A N 3.625 126.315 122.820 -0.217 0.000 1.930 64 A HA 0.005 4.325 4.320 0.000 0.000 0.217 64 A C 1.248 178.621 177.584 -0.351 0.000 1.175 64 A CA 1.340 53.195 52.037 -0.304 0.000 0.627 64 A CB -0.654 18.045 19.000 -0.502 0.000 0.815 64 A HN 0.688 nan 8.150 nan 0.000 0.443 65 S N -0.239 115.195 115.700 -0.443 0.000 2.671 65 S HA 0.227 4.698 4.470 0.000 0.000 0.272 65 S C 0.918 175.518 174.600 -0.001 0.000 1.174 65 S CA 0.263 58.348 58.200 -0.192 0.000 1.004 65 S CB 0.538 63.662 63.200 -0.127 0.000 1.077 65 S HN 0.482 nan 8.310 nan 0.000 0.553 66 E N 0.350 120.527 120.200 -0.040 0.000 2.502 66 E HA -0.029 4.321 4.350 0.000 0.000 0.194 66 E C 0.482 176.724 176.600 -0.596 0.000 1.062 66 E CA 0.073 56.373 56.400 -0.166 0.000 0.867 66 E CB -0.200 29.424 29.700 -0.126 0.000 0.888 66 E HN 0.745 nan 8.360 nan 0.000 0.510 67 R N 0.036 120.219 120.500 -0.528 0.000 2.774 67 R HA 0.576 4.916 4.340 0.000 0.000 0.272 67 R C -3.112 172.981 176.300 -0.345 0.000 1.000 67 R CA -1.994 53.662 56.100 -0.740 0.000 0.906 67 R CB 1.423 31.491 30.300 -0.388 0.000 1.227 67 R HN -0.224 nan 8.270 nan 0.000 0.468 68 P HA 0.280 nan 4.420 nan 0.000 0.284 68 P C 0.160 177.433 177.300 -0.045 0.000 1.258 68 P CA 0.345 63.437 63.100 -0.013 0.000 0.824 68 P CB 1.648 33.312 31.700 -0.059 0.000 1.038 69 G N 0.116 108.917 108.800 0.001 0.000 2.545 69 G HA2 0.064 4.024 3.960 0.000 0.000 0.195 69 G HA3 0.064 4.024 3.960 0.000 0.000 0.195 69 G C 0.665 175.579 174.900 0.023 0.000 1.009 69 G CA 0.458 45.559 45.100 0.002 0.000 0.703 69 G HN 0.893 nan 8.290 nan 0.000 0.479 70 G N 0.644 109.473 108.800 0.048 0.000 2.602 70 G HA2 -0.389 3.572 3.960 0.000 0.000 0.310 70 G HA3 -0.389 3.572 3.960 0.000 0.000 0.310 70 G C 0.978 175.941 174.900 0.105 0.000 1.183 70 G CA 1.431 46.579 45.100 0.080 0.000 0.979 70 G HN 1.060 nan 8.290 nan 0.000 0.545 71 R N -0.084 120.396 120.500 -0.032 0.000 2.280 71 R HA 0.220 4.560 4.340 0.000 0.000 0.207 71 R C 0.835 177.041 176.300 -0.156 0.000 1.043 71 R CA 0.616 56.534 56.100 -0.303 0.000 1.006 71 R CB -0.018 29.915 30.300 -0.612 0.000 0.885 71 R HN 0.260 nan 8.270 nan 0.000 0.467 72 V N 2.366 122.259 119.914 -0.036 0.000 2.370 72 V HA 0.154 4.275 4.120 0.000 0.000 0.257 72 V C 0.136 176.275 176.094 0.074 0.000 1.064 72 V CA 0.045 62.352 62.300 0.011 0.000 0.975 72 V CB 0.214 32.037 31.823 -0.001 0.000 1.067 72 V HN 0.167 nan 8.190 nan 0.000 0.485 73 R N 3.081 123.669 120.500 0.145 0.000 2.604 73 R HA 0.647 4.988 4.340 0.000 0.000 0.281 73 R C -1.153 175.230 176.300 0.138 0.000 1.020 73 R CA -0.376 55.823 56.100 0.165 0.000 0.899 73 R CB 2.244 32.729 30.300 0.308 0.000 1.205 73 R HN 0.596 nan 8.270 nan 0.000 0.450 74 T N 3.303 117.897 114.554 0.067 0.000 2.879 74 T HA 0.208 4.558 4.350 0.000 0.000 0.290 74 T C -1.531 173.196 174.700 0.045 0.000 0.993 74 T CA -0.428 61.709 62.100 0.061 0.000 0.975 74 T CB 0.816 69.663 68.868 -0.034 0.000 0.981 74 T HN 0.451 nan 8.240 nan 0.000 0.439 75 Y N 3.490 123.756 120.300 -0.056 0.000 2.336 75 Y HA 0.562 5.112 4.550 0.000 0.000 0.335 75 Y C 0.227 176.033 175.900 -0.157 0.000 1.046 75 Y CA -0.519 57.513 58.100 -0.115 0.000 1.198 75 Y CB 0.532 38.909 38.460 -0.137 0.000 1.182 75 Y HN 0.504 nan 8.280 nan 0.000 0.502 76 R N 4.133 124.263 120.500 -0.617 0.000 2.670 76 R HA 0.319 4.659 4.340 0.000 0.000 0.289 76 R C -1.269 174.543 176.300 -0.814 0.000 0.965 76 R CA -1.054 54.724 56.100 -0.535 0.000 0.899 76 R CB 1.258 31.351 30.300 -0.346 0.000 1.173 76 R HN 0.565 nan 8.270 nan 0.000 0.456 77 N N 1.815 120.002 118.700 -0.855 0.000 2.623 77 N HA 0.030 4.770 4.740 0.000 0.000 0.256 77 N C 0.020 175.227 175.510 -0.505 0.000 1.045 77 N CA -0.102 52.496 53.050 -0.752 0.000 0.863 77 N CB 1.606 39.446 38.487 -1.078 0.000 1.182 77 N HN 0.620 nan 8.380 nan 0.000 0.523 78 E N 1.926 121.935 120.200 -0.318 0.000 2.047 78 E HA -0.129 4.221 4.350 0.000 0.000 0.191 78 E C 1.242 177.759 176.600 -0.137 0.000 0.987 78 E CA 1.288 57.569 56.400 -0.198 0.000 0.799 78 E CB 0.148 29.760 29.700 -0.148 0.000 0.752 78 E HN 0.601 nan 8.360 nan 0.000 0.449 79 E N 0.251 120.383 120.200 -0.115 0.000 2.031 79 E HA -0.162 4.188 4.350 0.000 0.000 0.193 79 E C 1.766 178.352 176.600 -0.023 0.000 0.994 79 E CA 1.439 57.807 56.400 -0.053 0.000 0.800 79 E CB -0.344 29.335 29.700 -0.035 0.000 0.752 79 E HN 0.262 nan 8.360 nan 0.000 0.447 80 A N -0.096 122.703 122.820 -0.034 0.000 2.168 80 A HA 0.145 4.465 4.320 0.000 0.000 0.215 80 A C 1.557 179.216 177.584 0.126 0.000 1.152 80 A CA 1.298 53.396 52.037 0.101 0.000 0.716 80 A CB -0.570 18.577 19.000 0.245 0.000 0.794 80 A HN 0.449 nan 8.150 nan 0.000 0.465 81 G N -1.380 107.378 108.800 -0.071 0.000 2.256 81 G HA2 -0.222 3.739 3.960 0.000 0.000 0.272 81 G HA3 -0.222 3.739 3.960 0.000 0.000 0.272 81 G C -0.115 174.628 174.900 -0.262 0.000 1.076 81 G CA 0.393 45.443 45.100 -0.084 0.000 0.882 81 G HN 1.375 nan 8.290 nan 0.000 0.497 82 W N -1.466 119.533 121.300 -0.502 0.000 3.042 82 W HA 0.740 5.400 4.660 0.000 0.000 0.342 82 W C -0.719 175.553 176.519 -0.412 0.000 1.240 82 W CA -1.666 55.038 57.345 -1.067 0.000 1.166 82 W CB 0.706 29.681 29.460 -0.807 0.000 1.469 82 W HN 0.554 nan 8.180 nan 0.000 0.579 83 Y N -0.239 120.079 120.300 0.030 0.000 2.615 83 Y HA 0.867 5.417 4.550 0.000 0.000 0.341 83 Y C -1.473 174.721 175.900 0.491 0.000 1.089 83 Y CA -1.990 56.202 58.100 0.154 0.000 1.049 83 Y CB 1.286 39.782 38.460 0.059 0.000 1.296 83 Y HN 0.760 nan 8.280 nan 0.000 0.470 84 A N 1.959 125.093 122.820 0.523 0.000 2.353 84 A HA 0.497 4.817 4.320 0.000 0.000 0.299 84 A C -1.591 176.104 177.584 0.185 0.000 1.089 84 A CA -1.058 51.091 52.037 0.187 0.000 0.736 84 A CB 0.294 18.990 19.000 -0.507 0.000 1.195 84 A HN 0.874 nan 8.150 nan 0.000 0.447 85 N N 2.291 121.201 118.700 0.349 0.000 2.416 85 N HA 0.221 4.961 4.740 0.000 0.000 0.265 85 N C 0.892 176.561 175.510 0.266 0.000 1.195 85 N CA -0.264 52.951 53.050 0.275 0.000 0.943 85 N CB 0.721 39.386 38.487 0.298 0.000 1.115 85 N HN 0.662 nan 8.380 nan 0.000 0.481 86 L N 1.179 122.544 121.223 0.236 0.000 2.270 86 L HA 0.107 4.447 4.340 0.000 0.000 0.210 86 L C 1.719 178.949 176.870 0.601 0.000 1.104 86 L CA 0.531 55.593 54.840 0.370 0.000 0.804 86 L CB -0.213 41.994 42.059 0.246 0.000 0.937 86 L HN 0.624 nan 8.230 nan 0.000 0.450 87 G N -0.539 108.518 108.800 0.428 0.000 2.887 87 G HA2 0.244 4.204 3.960 0.000 0.000 0.210 87 G HA3 0.244 4.204 3.960 0.000 0.000 0.210 87 G C -2.308 172.562 174.900 -0.049 0.000 1.964 87 G CA -0.205 44.983 45.100 0.147 0.000 0.738 87 G HN -0.018 nan 8.290 nan 0.000 0.790 88 P HA 0.113 nan 4.420 nan 0.000 0.263 88 P C 0.412 177.677 177.300 -0.059 0.000 1.175 88 P CA 0.959 64.005 63.100 -0.089 0.000 0.761 88 P CB 0.553 32.233 31.700 -0.034 0.000 0.794 89 M N 2.241 121.754 119.600 -0.146 0.000 2.211 89 M HA 0.258 4.738 4.480 0.000 0.000 0.338 89 M C -0.014 176.080 176.300 -0.343 0.000 0.893 89 M CA -0.002 55.201 55.300 -0.161 0.000 1.096 89 M CB 0.889 33.360 32.600 -0.214 0.000 1.923 89 M HN 0.118 nan 8.290 nan 0.000 0.656 90 R N 1.089 121.408 120.500 -0.302 0.000 2.604 90 R HA 0.772 5.112 4.340 0.000 0.000 0.270 90 R C -2.070 174.344 176.300 0.190 0.000 1.052 90 R CA -0.812 55.130 56.100 -0.263 0.000 0.902 90 R CB 1.658 31.492 30.300 -0.777 0.000 1.233 90 R HN 0.264 nan 8.270 nan 0.000 0.455 91 L N 2.412 123.778 121.223 0.240 0.000 2.376 91 L HA 0.536 4.876 4.340 0.000 0.000 0.275 91 L C -2.386 174.462 176.870 -0.037 0.000 0.987 91 L CA -2.447 52.506 54.840 0.188 0.000 0.828 91 L CB 2.485 44.631 42.059 0.145 0.000 1.249 91 L HN 0.467 nan 8.230 nan 0.000 0.409 92 P HA 0.034 nan 4.420 nan 0.000 0.271 92 P C 0.326 177.280 177.300 -0.576 0.000 1.218 92 P CA -0.147 62.348 63.100 -1.007 0.000 0.780 92 P CB 1.222 32.056 31.700 -1.442 0.000 0.901 93 E N 2.605 122.512 120.200 -0.490 0.000 2.118 93 E HA -0.233 4.117 4.350 0.000 0.000 0.195 93 E C 1.585 178.058 176.600 -0.212 0.000 0.992 93 E CA 1.482 57.726 56.400 -0.260 0.000 0.804 93 E CB -0.040 29.531 29.700 -0.216 0.000 0.741 93 E HN 0.479 nan 8.360 nan 0.000 0.458 94 K N -0.407 119.809 120.400 -0.307 0.000 2.515 94 K HA -0.099 4.221 4.320 0.000 0.000 0.196 94 K C 0.085 176.662 176.600 -0.038 0.000 1.038 94 K CA 0.914 57.081 56.287 -0.201 0.000 0.967 94 K CB -0.260 32.081 32.500 -0.266 0.000 0.780 94 K HN 0.253 nan 8.250 nan 0.000 0.483 95 H N 1.596 120.555 119.070 -0.185 0.000 2.982 95 H HA 0.214 4.770 4.556 0.000 0.000 0.261 95 H C 0.509 175.858 175.328 0.034 0.000 1.603 95 H CA -0.781 55.222 56.048 -0.075 0.000 1.398 95 H CB 0.568 30.252 29.762 -0.130 0.000 1.693 95 H HN 0.164 nan 8.280 nan 0.000 0.535 96 R N 1.948 122.594 120.500 0.244 0.000 2.200 96 R HA -0.030 4.310 4.340 0.000 0.000 0.208 96 R C 1.684 178.018 176.300 0.057 0.000 1.033 96 R CA 0.460 56.642 56.100 0.136 0.000 1.000 96 R CB 0.214 30.611 30.300 0.163 0.000 0.906 96 R HN 0.572 nan 8.270 nan 0.000 0.462 97 I N 0.111 120.723 120.570 0.070 0.000 2.163 97 I HA -0.234 3.936 4.170 0.000 0.000 0.240 97 I C 2.524 178.698 176.117 0.095 0.000 1.081 97 I CA 0.986 62.280 61.300 -0.009 0.000 1.353 97 I CB -0.358 37.616 38.000 -0.045 0.000 1.054 97 I HN -0.064 nan 8.210 nan 0.000 0.407 98 V N 1.221 121.217 119.914 0.137 0.000 2.392 98 V HA -0.298 3.822 4.120 0.000 0.000 0.249 98 V C 2.614 178.790 176.094 0.137 0.000 1.059 98 V CA 1.971 64.375 62.300 0.174 0.000 1.051 98 V CB -0.477 31.437 31.823 0.152 0.000 0.658 98 V HN 0.347 nan 8.190 nan 0.000 0.455 99 R N -0.418 120.133 120.500 0.085 0.000 2.092 99 R HA -0.175 4.165 4.340 0.000 0.000 0.231 99 R C 2.275 178.561 176.300 -0.023 0.000 1.119 99 R CA 1.584 57.709 56.100 0.041 0.000 0.970 99 R CB -0.316 30.003 30.300 0.031 0.000 0.864 99 R HN 0.579 nan 8.270 nan 0.000 0.440 100 E N 0.231 120.379 120.200 -0.086 0.000 2.085 100 E HA -0.202 4.148 4.350 0.000 0.000 0.194 100 E C 1.401 177.795 176.600 -0.344 0.000 0.994 100 E CA 1.605 57.866 56.400 -0.231 0.000 0.801 100 E CB -0.259 29.249 29.700 -0.321 0.000 0.743 100 E HN 0.339 nan 8.360 nan 0.000 0.453 101 Y N 0.109 120.300 120.300 -0.182 0.000 2.242 101 Y HA -0.048 4.502 4.550 0.000 0.000 0.291 101 Y C 2.276 178.025 175.900 -0.252 0.000 1.137 101 Y CA 1.268 59.173 58.100 -0.326 0.000 1.181 101 Y CB -0.289 38.088 38.460 -0.138 0.000 0.989 101 Y HN 0.063 nan 8.280 nan 0.000 0.527 102 I N -0.361 120.261 120.570 0.088 0.000 2.163 102 I HA -0.362 3.809 4.170 0.000 0.000 0.243 102 I C 2.694 178.826 176.117 0.025 0.000 1.085 102 I CA 1.554 62.919 61.300 0.107 0.000 1.347 102 I CB -0.328 37.732 38.000 0.100 0.000 1.044 102 I HN 0.111 nan 8.210 nan 0.000 0.408 103 R N 1.299 121.768 120.500 -0.050 0.000 2.070 103 R HA -0.233 4.107 4.340 0.000 0.000 0.233 103 R C 2.397 178.623 176.300 -0.122 0.000 1.137 103 R CA 1.791 57.848 56.100 -0.071 0.000 0.945 103 R CB -0.217 30.028 30.300 -0.092 0.000 0.845 103 R HN 0.168 nan 8.270 nan 0.000 0.430 104 K N -0.489 119.744 120.400 -0.278 0.000 2.074 104 K HA -0.169 4.151 4.320 0.000 0.000 0.209 104 K C 1.106 177.530 176.600 -0.295 0.000 1.048 104 K CA 1.661 57.709 56.287 -0.397 0.000 0.926 104 K CB -0.079 31.987 32.500 -0.723 0.000 0.713 104 K HN 0.179 nan 8.250 nan 0.000 0.444 105 F N 0.780 120.753 119.950 0.038 0.000 2.692 105 F HA 0.104 4.631 4.527 0.000 0.000 0.303 105 F C 0.298 176.116 175.800 0.030 0.000 1.114 105 F CA -0.134 57.889 58.000 0.039 0.000 1.361 105 F CB -0.252 38.769 39.000 0.035 0.000 1.063 105 F HN 0.115 nan 8.300 nan 0.000 0.550 106 D N 0.940 121.416 120.400 0.127 0.000 2.772 106 D HA -0.214 4.426 4.640 0.000 0.000 0.233 106 D C -0.204 176.155 176.300 0.098 0.000 1.143 106 D CA 0.401 54.455 54.000 0.089 0.000 0.700 106 D CB -1.130 39.720 40.800 0.084 0.000 1.076 106 D HN 0.208 nan 8.370 nan 0.000 0.430 107 L N -0.332 120.959 121.223 0.114 0.000 2.421 107 L HA 0.497 4.837 4.340 0.000 0.000 0.263 107 L C 1.347 178.263 176.870 0.076 0.000 1.122 107 L CA -0.507 54.392 54.840 0.099 0.000 0.804 107 L CB 0.906 43.038 42.059 0.123 0.000 1.150 107 L HN -0.082 nan 8.230 nan 0.000 0.457 108 R N 1.089 121.632 120.500 0.072 0.000 2.732 108 R HA 0.728 5.068 4.340 0.000 0.000 0.278 108 R C -1.146 175.203 176.300 0.082 0.000 0.976 108 R CA -0.651 55.491 56.100 0.070 0.000 0.963 108 R CB 1.623 31.964 30.300 0.069 0.000 1.150 108 R HN 0.417 nan 8.270 nan 0.000 0.478 109 L N 1.049 122.323 121.223 0.085 0.000 2.330 109 L HA 0.532 4.872 4.340 0.000 0.000 0.271 109 L C -0.546 176.396 176.870 0.121 0.000 1.013 109 L CA -1.005 53.899 54.840 0.106 0.000 0.816 109 L CB 1.883 44.000 42.059 0.096 0.000 1.287 109 L HN 0.573 nan 8.230 nan 0.000 0.435 110 N N 0.424 119.219 118.700 0.158 0.000 2.295 110 N HA 0.159 4.899 4.740 0.000 0.000 0.293 110 N C -1.003 174.632 175.510 0.208 0.000 1.040 110 N CA -0.629 52.526 53.050 0.174 0.000 0.840 110 N CB 1.964 40.571 38.487 0.200 0.000 1.468 110 N HN 0.585 nan 8.380 nan 0.000 0.478 111 E N 2.561 122.870 120.200 0.181 0.000 2.414 111 E HA 0.055 4.405 4.350 0.000 0.000 0.263 111 E C -1.163 175.584 176.600 0.245 0.000 1.000 111 E CA -0.003 56.521 56.400 0.206 0.000 0.914 111 E CB 0.375 30.166 29.700 0.152 0.000 0.948 111 E HN 0.441 nan 8.360 nan 0.000 0.444 112 F N 3.863 123.910 119.950 0.161 0.000 2.375 112 F HA 0.298 4.826 4.527 0.000 0.000 0.361 112 F C -0.787 175.092 175.800 0.131 0.000 1.117 112 F CA -0.601 57.484 58.000 0.141 0.000 1.037 112 F CB 1.160 40.261 39.000 0.167 0.000 1.192 112 F HN 0.231 nan 8.300 nan 0.000 0.452 113 S N 5.995 121.595 115.700 -0.167 0.000 2.489 113 S HA 0.121 4.591 4.470 0.000 0.000 0.277 113 S C 0.937 175.517 174.600 -0.032 0.000 1.230 113 S CA -0.684 57.496 58.200 -0.032 0.000 1.053 113 S CB 1.387 64.544 63.200 -0.070 0.000 0.955 113 S HN 0.676 nan 8.310 nan 0.000 0.488 114 Q N 1.630 121.505 119.800 0.125 0.000 2.230 114 Q HA 0.056 4.396 4.340 0.000 0.000 0.202 114 Q C 0.455 176.476 176.000 0.035 0.000 0.963 114 Q CA 0.988 56.864 55.803 0.122 0.000 0.866 114 Q CB 0.203 29.015 28.738 0.124 0.000 0.931 114 Q HN 0.752 nan 8.270 nan 0.000 0.452 115 E N 0.092 120.298 120.200 0.010 0.000 2.308 115 E HA 0.368 4.719 4.350 0.000 0.000 0.275 115 E C -1.580 174.994 176.600 -0.045 0.000 0.890 115 E CA -0.330 56.058 56.400 -0.021 0.000 0.754 115 E CB 1.398 31.105 29.700 0.012 0.000 1.207 115 E HN -0.025 nan 8.360 nan 0.000 0.426 116 N N 2.909 121.563 118.700 -0.077 0.000 2.461 116 N HA 0.147 4.887 4.740 0.000 0.000 0.284 116 N C -0.377 175.059 175.510 -0.123 0.000 1.049 116 N CA -0.434 52.559 53.050 -0.096 0.000 0.889 116 N CB 1.192 39.604 38.487 -0.125 0.000 1.365 116 N HN 0.392 nan 8.380 nan 0.000 0.499 117 D N 1.460 121.800 120.400 -0.100 0.000 2.265 117 D HA -0.112 4.528 4.640 0.000 0.000 0.208 117 D C 0.633 176.812 176.300 -0.203 0.000 0.977 117 D CA 1.091 55.025 54.000 -0.111 0.000 0.871 117 D CB 0.174 40.929 40.800 -0.075 0.000 0.925 117 D HN 0.528 nan 8.370 nan 0.000 0.485 118 N N 0.011 118.565 118.700 -0.244 0.000 2.412 118 N HA 0.092 4.832 4.740 0.000 0.000 0.184 118 N C 0.598 175.746 175.510 -0.603 0.000 1.101 118 N CA 0.057 52.890 53.050 -0.362 0.000 0.881 118 N CB 0.256 38.599 38.487 -0.240 0.000 0.969 118 N HN 0.082 nan 8.380 nan 0.000 0.459 119 A N -0.051 122.475 122.820 -0.490 0.000 2.260 119 A HA 0.520 4.841 4.320 0.000 0.000 0.278 119 A C -0.662 176.550 177.584 -0.620 0.000 1.269 119 A CA -0.155 51.567 52.037 -0.526 0.000 0.824 119 A CB 0.220 19.087 19.000 -0.221 0.000 1.238 119 A HN 0.249 nan 8.150 nan 0.000 0.507 120 W N -2.527 118.705 121.300 -0.113 0.000 2.844 120 W HA 0.586 5.246 4.660 0.000 0.000 0.340 120 W C -1.376 175.058 176.519 -0.141 0.000 1.093 120 W CA -0.179 57.122 57.345 -0.074 0.000 1.212 120 W CB 1.220 30.626 29.460 -0.090 0.000 1.422 120 W HN 0.538 nan 8.180 nan 0.000 0.515 121 Y N 1.932 122.419 120.300 0.311 0.000 2.342 121 Y HA 0.457 5.007 4.550 0.000 0.000 0.334 121 Y C -0.540 175.517 175.900 0.262 0.000 1.067 121 Y CA -0.787 57.436 58.100 0.206 0.000 1.128 121 Y CB 1.114 39.649 38.460 0.126 0.000 1.200 121 Y HN 0.225 nan 8.280 nan 0.000 0.464 122 F N 5.690 125.738 119.950 0.162 0.000 2.646 122 F HA 0.591 5.118 4.527 0.000 0.000 0.364 122 F C -1.760 174.062 175.800 0.037 0.000 1.137 122 F CA -0.798 57.239 58.000 0.062 0.000 1.085 122 F CB 0.311 39.294 39.000 -0.027 0.000 1.331 122 F HN 0.229 nan 8.300 nan 0.000 0.472 123 I N 5.829 126.217 120.570 -0.304 0.000 2.534 123 I HA 0.236 4.406 4.170 0.000 0.000 0.288 123 I C 0.014 175.928 176.117 -0.339 0.000 1.077 123 I CA -0.926 60.257 61.300 -0.195 0.000 1.051 123 I CB 2.041 40.039 38.000 -0.004 0.000 1.234 123 I HN 0.542 nan 8.210 nan 0.000 0.425 124 K N 4.218 124.439 120.400 -0.299 0.000 3.012 124 K HA -0.267 4.053 4.320 0.000 0.000 0.259 124 K C 0.147 176.536 176.600 -0.353 0.000 0.989 124 K CA 1.006 57.122 56.287 -0.285 0.000 0.728 124 K CB -1.134 31.199 32.500 -0.279 0.000 1.260 124 K HN 0.842 nan 8.250 nan 0.000 0.480 125 N N -1.390 116.958 118.700 -0.586 0.000 2.800 125 N HA -0.205 4.536 4.740 0.000 0.000 0.250 125 N C -0.540 174.631 175.510 -0.565 0.000 1.078 125 N CA 1.302 53.952 53.050 -0.667 0.000 0.804 125 N CB -0.742 37.606 38.487 -0.231 0.000 1.135 125 N HN 0.405 nan 8.380 nan 0.000 0.565 126 I N 0.714 120.955 120.570 -0.548 0.000 2.336 126 I HA 0.246 4.417 4.170 0.000 0.000 0.292 126 I C 0.540 176.524 176.117 -0.222 0.000 0.991 126 I CA -0.485 60.646 61.300 -0.280 0.000 1.227 126 I CB 1.484 39.377 38.000 -0.180 0.000 1.366 126 I HN 0.076 nan 8.210 nan 0.000 0.466 127 R N 6.786 127.282 120.500 -0.006 0.000 2.360 127 R HA 0.511 4.851 4.340 0.000 0.000 0.318 127 R C -1.289 175.173 176.300 0.271 0.000 0.950 127 R CA -0.629 55.592 56.100 0.202 0.000 0.837 127 R CB 0.921 31.365 30.300 0.240 0.000 1.165 127 R HN 0.497 nan 8.270 nan 0.000 0.458 128 K N 3.102 123.754 120.400 0.419 0.000 2.532 128 K HA 0.313 4.633 4.320 0.000 0.000 0.265 128 K C -0.931 175.954 176.600 0.474 0.000 0.948 128 K CA -1.021 55.508 56.287 0.403 0.000 0.842 128 K CB 1.949 34.576 32.500 0.212 0.000 1.392 128 K HN 0.463 nan 8.250 nan 0.000 0.436 129 K N 1.200 121.714 120.400 0.190 0.000 2.414 129 K HA 0.056 4.376 4.320 0.000 0.000 0.272 129 K C 1.339 177.970 176.600 0.051 0.000 0.993 129 K CA -0.001 56.194 56.287 -0.153 0.000 0.964 129 K CB 0.736 33.076 32.500 -0.267 0.000 0.925 129 K HN 0.267 nan 8.250 nan 0.000 0.487 130 V N 2.748 122.656 119.914 -0.011 0.000 2.282 130 V HA -0.278 3.842 4.120 0.000 0.000 0.249 130 V C 2.318 178.472 176.094 0.100 0.000 1.057 130 V CA 2.516 64.902 62.300 0.143 0.000 1.032 130 V CB -0.837 30.964 31.823 -0.036 0.000 0.645 130 V HN 1.069 nan 8.190 nan 0.000 0.447 131 G N -0.846 107.946 108.800 -0.012 0.000 2.442 131 G HA2 -0.254 3.706 3.960 0.000 0.000 0.219 131 G HA3 -0.254 3.706 3.960 0.000 0.000 0.219 131 G C 1.455 176.360 174.900 0.007 0.000 1.141 131 G CA 0.978 46.072 45.100 -0.011 0.000 0.763 131 G HN 0.598 nan 8.290 nan 0.000 0.554 132 E N -0.205 120.002 120.200 0.011 0.000 2.072 132 E HA -0.068 4.282 4.350 0.000 0.000 0.191 132 E C 2.714 179.325 176.600 0.019 0.000 0.985 132 E CA 0.923 57.336 56.400 0.021 0.000 0.801 132 E CB -0.081 29.642 29.700 0.038 0.000 0.750 132 E HN 0.326 nan 8.360 nan 0.000 0.452 133 V N 1.515 121.448 119.914 0.032 0.000 2.453 133 V HA -0.226 3.895 4.120 0.000 0.000 0.247 133 V C 2.009 178.083 176.094 -0.034 0.000 1.048 133 V CA 1.572 63.844 62.300 -0.046 0.000 1.049 133 V CB -0.364 31.322 31.823 -0.229 0.000 0.672 133 V HN 0.173 nan 8.190 nan 0.000 0.457 134 K N 0.154 120.567 120.400 0.022 0.000 2.063 134 K HA -0.194 4.126 4.320 0.000 0.000 0.208 134 K C 2.242 178.845 176.600 0.004 0.000 1.048 134 K CA 1.479 57.778 56.287 0.020 0.000 0.928 134 K CB -0.188 32.333 32.500 0.036 0.000 0.713 134 K HN 0.409 nan 8.250 nan 0.000 0.442 135 K N 0.083 120.485 120.400 0.004 0.000 2.116 135 K HA -0.077 4.243 4.320 0.000 0.000 0.203 135 K C 0.278 176.877 176.600 -0.002 0.000 1.052 135 K CA 0.895 57.183 56.287 0.001 0.000 0.952 135 K CB 0.177 32.679 32.500 0.003 0.000 0.729 135 K HN 0.009 nan 8.250 nan 0.000 0.446 136 D N -0.255 120.140 120.400 -0.007 0.000 2.363 136 D HA 0.127 4.767 4.640 0.000 0.000 0.258 136 D C -2.168 174.117 176.300 -0.025 0.000 1.259 136 D CA -2.249 51.745 54.000 -0.010 0.000 0.921 136 D CB 1.319 42.117 40.800 -0.004 0.000 1.201 136 D HN -0.176 nan 8.370 nan 0.000 0.524 137 P HA -0.029 nan 4.420 nan 0.000 0.221 137 P C 1.421 178.710 177.300 -0.018 0.000 1.145 137 P CA 0.612 63.682 63.100 -0.050 0.000 0.795 137 P CB 0.230 31.904 31.700 -0.043 0.000 0.775 138 G N -0.042 108.756 108.800 -0.003 0.000 2.559 138 G HA2 -0.185 3.775 3.960 0.000 0.000 0.216 138 G HA3 -0.185 3.775 3.960 0.000 0.000 0.216 138 G C 1.336 176.235 174.900 -0.001 0.000 1.126 138 G CA 0.089 45.196 45.100 0.011 0.000 0.778 138 G HN 0.133 nan 8.290 nan 0.000 0.543 139 L N 0.274 121.489 121.223 -0.013 0.000 2.189 139 L HA 0.016 4.356 4.340 0.000 0.000 0.214 139 L C 2.543 179.391 176.870 -0.036 0.000 1.097 139 L CA 1.148 55.976 54.840 -0.020 0.000 0.764 139 L CB -0.618 41.432 42.059 -0.015 0.000 0.900 139 L HN 0.268 nan 8.230 nan 0.000 0.436 140 L N -1.042 120.164 121.223 -0.028 0.000 2.592 140 L HA 0.040 4.380 4.340 0.000 0.000 0.227 140 L C 0.740 177.527 176.870 -0.138 0.000 1.127 140 L CA -0.067 54.740 54.840 -0.055 0.000 0.884 140 L CB -0.185 41.896 42.059 0.037 0.000 1.065 140 L HN 0.235 nan 8.230 nan 0.000 0.457 141 K N -0.780 119.585 120.400 -0.058 0.000 3.069 141 K HA -0.229 4.091 4.320 0.000 0.000 0.267 141 K C -0.724 175.797 176.600 -0.131 0.000 1.082 141 K CA 0.542 56.776 56.287 -0.088 0.000 0.782 141 K CB -2.102 30.324 32.500 -0.124 0.000 1.230 141 K HN 0.186 nan 8.250 nan 0.000 0.488 142 Y N 1.521 121.798 120.300 -0.039 0.000 2.425 142 Y HA 0.115 4.665 4.550 0.000 0.000 0.331 142 Y C -1.411 174.478 175.900 -0.018 0.000 1.157 142 Y CA -1.982 56.103 58.100 -0.024 0.000 1.372 142 Y CB 0.307 38.756 38.460 -0.018 0.000 1.253 142 Y HN 0.018 nan 8.280 nan 0.000 0.536 143 P HA 0.070 nan 4.420 nan 0.000 0.271 143 P C -0.661 176.684 177.300 0.074 0.000 1.380 143 P CA 0.048 63.187 63.100 0.066 0.000 0.992 143 P CB 0.006 31.729 31.700 0.038 0.000 1.230 144 V N 1.151 121.103 119.914 0.064 0.000 3.096 144 V HA 0.513 4.633 4.120 0.000 0.000 0.319 144 V C 0.405 176.514 176.094 0.025 0.000 1.082 144 V CA -1.209 61.118 62.300 0.045 0.000 1.022 144 V CB 1.298 33.146 31.823 0.041 0.000 1.103 144 V HN 0.163 nan 8.190 nan 0.000 0.455 145 K N 1.781 122.191 120.400 0.016 0.000 2.237 145 K HA 0.303 4.623 4.320 0.000 0.000 0.270 145 K C -1.759 174.846 176.600 0.008 0.000 1.015 145 K CA -1.269 55.023 56.287 0.008 0.000 0.949 145 K CB 0.839 33.341 32.500 0.002 0.000 0.976 145 K HN 0.456 nan 8.250 nan 0.000 0.472 146 P HA -0.290 nan 4.420 nan 0.000 0.218 146 P C 1.165 178.467 177.300 0.004 0.000 1.154 146 P CA 1.681 64.783 63.100 0.005 0.000 0.872 146 P CB 0.042 31.744 31.700 0.003 0.000 0.790 147 S N -1.429 114.273 115.700 0.002 0.000 2.547 147 S HA -0.090 4.381 4.470 0.000 0.000 0.235 147 S C 1.576 176.178 174.600 0.003 0.000 0.980 147 S CA 0.846 59.048 58.200 0.002 0.000 0.941 147 S CB -0.856 62.344 63.200 -0.000 0.000 0.763 147 S HN 0.276 nan 8.310 nan 0.000 0.532 148 E N 0.820 121.023 120.200 0.005 0.000 2.476 148 E HA 0.396 4.746 4.350 0.000 0.000 0.199 148 E C 0.651 177.256 176.600 0.007 0.000 1.021 148 E CA 0.044 56.448 56.400 0.006 0.000 0.907 148 E CB 0.439 30.142 29.700 0.007 0.000 0.974 148 E HN 0.655 nan 8.360 nan 0.000 0.489 149 A N 0.583 123.408 122.820 0.008 0.000 2.531 149 A HA 0.355 4.675 4.320 0.000 0.000 0.236 149 A C 1.376 178.964 177.584 0.006 0.000 1.062 149 A CA 0.820 52.862 52.037 0.009 0.000 0.760 149 A CB -0.316 18.688 19.000 0.008 0.000 0.995 149 A HN 0.353 nan 8.150 nan 0.000 0.501 150 G N 1.250 110.053 108.800 0.005 0.000 2.184 150 G HA2 -0.258 3.702 3.960 0.000 0.000 0.264 150 G HA3 -0.258 3.702 3.960 0.000 0.000 0.264 150 G C 0.243 175.143 174.900 0.000 0.000 0.975 150 G CA 0.953 46.054 45.100 0.002 0.000 0.642 150 G HN 0.867 nan 8.290 nan 0.000 0.536 151 K N 1.400 121.800 120.400 0.001 0.000 2.183 151 K HA 0.528 4.848 4.320 0.000 0.000 0.274 151 K C 0.950 177.545 176.600 -0.008 0.000 1.009 151 K CA 0.155 56.442 56.287 0.001 0.000 0.888 151 K CB 1.391 33.895 32.500 0.007 0.000 1.078 151 K HN 0.406 nan 8.250 nan 0.000 0.459 152 S N 1.336 117.032 115.700 -0.006 0.000 2.589 152 S HA 0.091 4.561 4.470 0.000 0.000 0.265 152 S C 1.402 175.994 174.600 -0.014 0.000 1.342 152 S CA -0.144 58.046 58.200 -0.017 0.000 1.005 152 S CB 1.253 64.451 63.200 -0.002 0.000 0.909 152 S HN 0.687 nan 8.310 nan 0.000 0.555 153 A N 2.111 124.910 122.820 -0.035 0.000 1.917 153 A HA 0.033 4.354 4.320 0.000 0.000 0.219 153 A C 2.251 179.864 177.584 0.049 0.000 1.182 153 A CA 1.980 54.006 52.037 -0.019 0.000 0.633 153 A CB -1.901 17.070 19.000 -0.048 0.000 0.819 153 A HN 1.196 nan 8.150 nan 0.000 0.448 154 G N -1.262 107.560 108.800 0.037 0.000 2.422 154 G HA2 -0.218 3.743 3.960 0.000 0.000 0.218 154 G HA3 -0.218 3.743 3.960 0.000 0.000 0.218 154 G C 1.621 176.578 174.900 0.094 0.000 1.146 154 G CA 1.005 46.137 45.100 0.053 0.000 0.769 154 G HN 0.650 nan 8.290 nan 0.000 0.547 155 Q N -0.433 119.404 119.800 0.061 0.000 2.079 155 Q HA 0.087 4.427 4.340 0.000 0.000 0.200 155 Q C 2.665 178.711 176.000 0.076 0.000 0.974 155 Q CA 0.738 56.576 55.803 0.058 0.000 0.840 155 Q CB -0.190 28.567 28.738 0.031 0.000 0.898 155 Q HN 0.440 nan 8.270 nan 0.000 0.430 156 L N -0.720 120.547 121.223 0.074 0.000 2.056 156 L HA -0.206 4.134 4.340 0.000 0.000 0.207 156 L C 2.323 179.262 176.870 0.114 0.000 1.078 156 L CA 1.265 56.147 54.840 0.069 0.000 0.749 156 L CB -0.510 41.575 42.059 0.044 0.000 0.901 156 L HN 0.251 nan 8.230 nan 0.000 0.433 157 Y N 1.093 121.423 120.300 0.048 0.000 2.145 157 Y HA -0.342 4.208 4.550 0.000 0.000 0.286 157 Y C 2.670 178.629 175.900 0.099 0.000 1.145 157 Y CA 2.063 60.217 58.100 0.090 0.000 1.148 157 Y CB -0.005 38.509 38.460 0.091 0.000 0.981 157 Y HN 0.205 nan 8.280 nan 0.000 0.507 158 E N 0.716 121.070 120.200 0.258 0.000 2.058 158 E HA -0.237 4.113 4.350 0.000 0.000 0.194 158 E C 1.884 178.524 176.600 0.067 0.000 0.997 158 E CA 2.246 58.748 56.400 0.170 0.000 0.801 158 E CB -0.368 29.416 29.700 0.140 0.000 0.746 158 E HN 0.657 nan 8.360 nan 0.000 0.450 159 E N -0.104 120.126 120.200 0.051 0.000 2.153 159 E HA -0.161 4.189 4.350 0.000 0.000 0.194 159 E C 2.085 178.686 176.600 0.002 0.000 0.988 159 E CA 1.246 57.662 56.400 0.026 0.000 0.811 159 E CB -0.212 29.501 29.700 0.022 0.000 0.746 159 E HN 0.435 nan 8.360 nan 0.000 0.466 160 S N 0.770 116.456 115.700 -0.024 0.000 2.442 160 S HA -0.107 4.363 4.470 0.000 0.000 0.236 160 S C 1.786 176.414 174.600 0.045 0.000 1.007 160 S CA 0.535 58.715 58.200 -0.033 0.000 0.965 160 S CB -0.091 63.066 63.200 -0.070 0.000 0.773 160 S HN 0.072 nan 8.310 nan 0.000 0.504 161 L N 2.312 123.531 121.223 -0.007 0.000 2.622 161 L HA 0.252 4.592 4.340 0.000 0.000 0.233 161 L C 2.431 179.325 176.870 0.040 0.000 1.156 161 L CA 0.530 55.378 54.840 0.014 0.000 0.866 161 L CB -1.668 40.374 42.059 -0.029 0.000 0.980 161 L HN 0.486 nan 8.230 nan 0.000 0.448 162 G N -0.245 108.579 108.800 0.040 0.000 2.476 162 G HA2 -0.394 3.566 3.960 0.000 0.000 0.218 162 G HA3 -0.394 3.566 3.960 0.000 0.000 0.218 162 G C 1.790 176.713 174.900 0.040 0.000 1.164 162 G CA 1.108 46.226 45.100 0.031 0.000 0.768 162 G HN 0.326 nan 8.290 nan 0.000 0.560 163 K N 0.385 120.821 120.400 0.059 0.000 2.032 163 K HA -0.049 4.271 4.320 0.000 0.000 0.209 163 K C 2.550 179.201 176.600 0.085 0.000 1.048 163 K CA 1.601 57.935 56.287 0.078 0.000 0.927 163 K CB -0.757 31.781 32.500 0.065 0.000 0.712 163 K HN 0.197 nan 8.250 nan 0.000 0.441 164 V N 0.110 120.022 119.914 -0.002 0.000 2.295 164 V HA -0.230 3.890 4.120 0.000 0.000 0.246 164 V C 2.354 178.440 176.094 -0.013 0.000 1.049 164 V CA 1.796 64.009 62.300 -0.144 0.000 1.024 164 V CB -0.525 31.065 31.823 -0.389 0.000 0.648 164 V HN 0.152 nan 8.190 nan 0.000 0.447 165 V N -0.003 119.905 119.914 -0.009 0.000 2.287 165 V HA -0.304 3.816 4.120 0.000 0.000 0.248 165 V C 2.478 178.585 176.094 0.023 0.000 1.053 165 V CA 2.292 64.595 62.300 0.004 0.000 1.027 165 V CB -0.690 31.140 31.823 0.010 0.000 0.646 165 V HN 0.607 nan 8.190 nan 0.000 0.447 166 E N -0.343 119.879 120.200 0.037 0.000 2.077 166 E HA -0.287 4.063 4.350 0.000 0.000 0.193 166 E C 2.250 178.886 176.600 0.061 0.000 0.989 166 E CA 1.496 57.922 56.400 0.042 0.000 0.800 166 E CB -0.125 29.601 29.700 0.044 0.000 0.746 166 E HN 0.590 nan 8.360 nan 0.000 0.452 167 E N 0.672 120.936 120.200 0.107 0.000 2.110 167 E HA -0.188 4.163 4.350 0.000 0.000 0.193 167 E C 1.884 178.565 176.600 0.134 0.000 0.988 167 E CA 0.547 57.045 56.400 0.163 0.000 0.804 167 E CB -0.087 29.800 29.700 0.311 0.000 0.745 167 E HN 0.115 nan 8.360 nan 0.000 0.458 168 L N 0.938 122.221 121.223 0.099 0.000 2.017 168 L HA -0.139 4.201 4.340 0.000 0.000 0.208 168 L C 1.830 178.711 176.870 0.017 0.000 1.073 168 L CA 1.918 56.789 54.840 0.052 0.000 0.745 168 L CB -0.382 41.677 42.059 0.000 0.000 0.894 168 L HN -0.018 nan 8.230 nan 0.000 0.432 169 K N -0.670 119.737 120.400 0.011 0.000 2.063 169 K HA -0.247 4.073 4.320 0.000 0.000 0.208 169 K C 2.322 178.916 176.600 -0.010 0.000 1.048 169 K CA 1.912 58.197 56.287 -0.003 0.000 0.928 169 K CB -0.315 32.184 32.500 -0.001 0.000 0.713 169 K HN 0.306 nan 8.250 nan 0.000 0.442 170 R N 0.649 121.146 120.500 -0.004 0.000 2.120 170 R HA -0.122 4.218 4.340 0.000 0.000 0.234 170 R C 1.545 177.805 176.300 -0.066 0.000 1.123 170 R CA 1.946 58.029 56.100 -0.028 0.000 0.975 170 R CB 0.045 30.334 30.300 -0.018 0.000 0.866 170 R HN 0.411 nan 8.270 nan 0.000 0.446 171 T N -2.794 111.726 114.554 -0.056 0.000 1.812 171 T HA 0.304 4.654 4.350 0.000 0.000 0.173 171 T C -0.566 174.115 174.700 -0.032 0.000 0.710 171 T CA -0.213 61.826 62.100 -0.101 0.000 1.065 171 T CB 0.190 68.922 68.868 -0.226 0.000 3.214 171 T HN 0.405 nan 8.240 nan 0.000 0.403 172 N N -1.846 116.870 118.700 0.028 0.000 3.227 172 N HA 0.361 5.101 4.740 0.000 0.000 0.241 172 N C 0.344 175.878 175.510 0.041 0.000 1.480 172 N CA -0.399 52.663 53.050 0.020 0.000 0.886 172 N CB 0.471 38.964 38.487 0.009 0.000 1.406 172 N HN 0.475 nan 8.380 nan 0.000 0.514 173 c N -0.142 118.442 118.600 -0.027 0.000 2.413 173 c HA -0.165 4.405 4.570 0.000 0.000 0.277 173 c C 2.879 176.937 174.090 -0.052 0.000 1.228 173 c CA 1.952 58.229 56.329 -0.086 0.000 1.731 173 c CB -1.552 40.866 42.510 -0.154 0.000 2.042 173 c HN 0.893 nan 8.230 nan 0.000 0.468 174 S N -0.270 115.422 115.700 -0.014 0.000 2.383 174 S HA -0.273 4.198 4.470 0.000 0.000 0.229 174 S C 1.759 176.375 174.600 0.026 0.000 1.030 174 S CA 1.828 60.028 58.200 -0.001 0.000 1.002 174 S CB -1.016 62.197 63.200 0.021 0.000 0.829 174 S HN 0.689 nan 8.310 nan 0.000 0.467 175 Y N 3.530 123.811 120.300 -0.032 0.000 2.097 175 Y HA -0.114 4.436 4.550 0.000 0.000 0.282 175 Y C 2.180 178.066 175.900 -0.022 0.000 1.152 175 Y CA 1.879 59.965 58.100 -0.023 0.000 1.136 175 Y CB -0.516 37.935 38.460 -0.014 0.000 0.975 175 Y HN 0.443 nan 8.280 nan 0.000 0.498 176 I N -2.765 117.833 120.570 0.047 0.000 2.315 176 I HA -0.171 3.999 4.170 0.000 0.000 0.248 176 I C 1.825 177.947 176.117 0.008 0.000 1.117 176 I CA 1.056 62.392 61.300 0.060 0.000 1.404 176 I CB -0.665 37.478 38.000 0.238 0.000 1.071 176 I HN 0.144 nan 8.210 nan 0.000 0.419 177 L N 1.795 122.979 121.223 -0.065 0.000 2.046 177 L HA -0.143 4.197 4.340 0.000 0.000 0.208 177 L C 2.343 179.151 176.870 -0.104 0.000 1.077 177 L CA 1.681 56.463 54.840 -0.096 0.000 0.747 177 L CB -1.797 40.177 42.059 -0.142 0.000 0.896 177 L HN 0.367 nan 8.230 nan 0.000 0.432 178 N N -0.474 118.137 118.700 -0.149 0.000 2.171 178 N HA -0.170 4.571 4.740 0.000 0.000 0.184 178 N C 1.843 177.193 175.510 -0.266 0.000 1.021 178 N CA 0.918 53.864 53.050 -0.174 0.000 0.854 178 N CB -0.076 38.316 38.487 -0.159 0.000 0.994 178 N HN 0.347 nan 8.380 nan 0.000 0.426 179 K N -0.253 119.899 120.400 -0.414 0.000 2.025 179 K HA -0.101 4.220 4.320 0.000 0.000 0.207 179 K C 1.167 177.539 176.600 -0.380 0.000 1.049 179 K CA 1.128 57.101 56.287 -0.523 0.000 0.933 179 K CB -0.127 31.866 32.500 -0.846 0.000 0.714 179 K HN 0.133 nan 8.250 nan 0.000 0.438 180 Y N 0.732 121.029 120.300 -0.004 0.000 2.546 180 Y HA -0.035 4.515 4.550 0.000 0.000 0.287 180 Y C 1.545 177.541 175.900 0.160 0.000 1.158 180 Y CA 0.804 58.979 58.100 0.125 0.000 1.307 180 Y CB -0.090 38.416 38.460 0.077 0.000 1.036 180 Y HN 0.286 nan 8.280 nan 0.000 0.532 181 D N -0.531 119.923 120.400 0.091 0.000 2.347 181 D HA -0.116 4.524 4.640 0.000 0.000 0.215 181 D C 1.975 178.175 176.300 -0.168 0.000 0.976 181 D CA 1.415 55.449 54.000 0.057 0.000 0.884 181 D CB -0.006 40.817 40.800 0.039 0.000 0.915 181 D HN 0.294 nan 8.370 nan 0.000 0.526 182 T N -2.895 111.483 114.554 -0.294 0.000 3.100 182 T HA 0.039 4.389 4.350 0.000 0.000 0.253 182 T C 0.323 174.880 174.700 -0.239 0.000 1.118 182 T CA -0.062 61.631 62.100 -0.678 0.000 1.058 182 T CB -0.380 68.073 68.868 -0.692 0.000 0.953 182 T HN -0.047 nan 8.240 nan 0.000 0.515 183 Y N 2.386 122.677 120.300 -0.015 0.000 2.457 183 Y HA 0.563 5.113 4.550 0.000 0.000 0.333 183 Y C 0.942 176.950 175.900 0.180 0.000 1.119 183 Y CA -1.259 56.911 58.100 0.117 0.000 1.143 183 Y CB 1.671 40.269 38.460 0.231 0.000 1.230 183 Y HN 0.192 nan 8.280 nan 0.000 0.469 184 S N -0.689 115.201 115.700 0.317 0.000 2.632 184 S HA 0.165 4.635 4.470 0.000 0.000 0.267 184 S C 0.897 175.686 174.600 0.315 0.000 1.276 184 S CA -0.328 58.054 58.200 0.305 0.000 0.998 184 S CB 1.220 64.566 63.200 0.243 0.000 0.953 184 S HN 0.722 nan 8.310 nan 0.000 0.547 185 T N 1.246 116.017 114.554 0.361 0.000 2.635 185 T HA -0.157 4.193 4.350 0.000 0.000 0.267 185 T C 1.712 176.468 174.700 0.093 0.000 1.040 185 T CA 1.875 64.198 62.100 0.372 0.000 1.156 185 T CB -0.453 68.771 68.868 0.593 0.000 0.863 185 T HN 0.747 nan 8.240 nan 0.000 0.430 186 K N 0.771 121.156 120.400 -0.025 0.000 2.097 186 K HA -0.124 4.197 4.320 0.000 0.000 0.205 186 K C 2.405 178.895 176.600 -0.185 0.000 1.050 186 K CA 1.407 57.446 56.287 -0.412 0.000 0.938 186 K CB -0.083 32.076 32.500 -0.569 0.000 0.718 186 K HN 0.419 nan 8.250 nan 0.000 0.442 187 E N -0.449 119.738 120.200 -0.022 0.000 2.077 187 E HA -0.249 4.102 4.350 0.000 0.000 0.193 187 E C 1.899 178.537 176.600 0.062 0.000 0.989 187 E CA 1.233 57.664 56.400 0.052 0.000 0.800 187 E CB -0.232 29.555 29.700 0.145 0.000 0.746 187 E HN 0.417 nan 8.360 nan 0.000 0.452 188 Y N 1.246 121.488 120.300 -0.098 0.000 2.097 188 Y HA -0.234 4.317 4.550 0.000 0.000 0.282 188 Y C 2.027 177.687 175.900 -0.400 0.000 1.152 188 Y CA 1.850 59.694 58.100 -0.426 0.000 1.136 188 Y CB -0.313 37.424 38.460 -1.205 0.000 0.975 188 Y HN 0.020 nan 8.280 nan 0.000 0.498 189 L N -0.354 120.681 121.223 -0.313 0.000 2.042 189 L HA -0.258 4.082 4.340 0.000 0.000 0.210 189 L C 2.397 179.090 176.870 -0.296 0.000 1.076 189 L CA 1.696 56.375 54.840 -0.268 0.000 0.749 189 L CB -0.556 41.434 42.059 -0.114 0.000 0.893 189 L HN 0.331 nan 8.230 nan 0.000 0.432 190 I N -0.612 119.814 120.570 -0.239 0.000 2.235 190 I HA -0.225 3.945 4.170 0.000 0.000 0.241 190 I C 2.469 178.477 176.117 -0.181 0.000 1.085 190 I CA 1.250 62.446 61.300 -0.174 0.000 1.378 190 I CB -0.186 37.740 38.000 -0.124 0.000 1.076 190 I HN 0.141 nan 8.210 nan 0.000 0.415 191 K N 0.164 120.456 120.400 -0.179 0.000 2.167 191 K HA -0.055 4.266 4.320 0.000 0.000 0.203 191 K C 1.556 178.030 176.600 -0.210 0.000 1.052 191 K CA 0.897 57.113 56.287 -0.119 0.000 0.956 191 K CB 0.194 32.706 32.500 0.021 0.000 0.735 191 K HN 0.205 nan 8.250 nan 0.000 0.451 192 E N -1.040 118.877 120.200 -0.471 0.000 2.485 192 E HA 0.059 4.409 4.350 0.000 0.000 0.213 192 E C 1.708 177.929 176.600 -0.632 0.000 0.923 192 E CA 0.229 56.277 56.400 -0.586 0.000 1.054 192 E CB 0.890 30.110 29.700 -0.799 0.000 1.077 192 E HN 0.301 nan 8.360 nan 0.000 0.509 193 G N 1.742 110.136 108.800 -0.676 0.000 2.650 193 G HA2 -0.190 3.771 3.960 0.000 0.000 0.214 193 G HA3 -0.190 3.771 3.960 0.000 0.000 0.214 193 G C 0.809 175.585 174.900 -0.206 0.000 1.136 193 G CA 0.991 45.841 45.100 -0.417 0.000 0.789 193 G HN 0.266 nan 8.290 nan 0.000 0.536 194 D N -0.975 119.314 120.400 -0.186 0.000 2.466 194 D HA -0.232 4.408 4.640 0.000 0.000 0.184 194 D C 0.873 177.123 176.300 -0.083 0.000 1.519 194 D CA 0.926 54.861 54.000 -0.109 0.000 1.769 194 D CB -1.798 38.956 40.800 -0.077 0.000 1.391 194 D HN 0.341 nan 8.370 nan 0.000 0.515 195 L N 2.171 123.344 121.223 -0.083 0.000 2.667 195 L HA 0.008 4.348 4.340 0.000 0.000 0.296 195 L C 1.473 178.320 176.870 -0.039 0.000 1.252 195 L CA 0.888 55.697 54.840 -0.051 0.000 0.891 195 L CB -0.070 41.962 42.059 -0.046 0.000 1.141 195 L HN 0.431 nan 8.230 nan 0.000 0.501 196 S N 2.792 118.481 115.700 -0.018 0.000 2.576 196 S HA 0.125 4.595 4.470 0.000 0.000 0.272 196 S C -1.642 172.960 174.600 0.003 0.000 1.352 196 S CA -1.055 57.142 58.200 -0.005 0.000 1.021 196 S CB 0.793 63.998 63.200 0.009 0.000 0.887 196 S HN 0.470 nan 8.310 nan 0.000 0.542 197 P HA 0.031 nan 4.420 nan 0.000 0.218 197 P C 1.674 179.011 177.300 0.062 0.000 1.148 197 P CA 1.511 64.626 63.100 0.025 0.000 0.822 197 P CB -0.445 31.270 31.700 0.024 0.000 0.784 198 G N 0.192 109.038 108.800 0.076 0.000 2.402 198 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 198 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 198 G C 1.661 176.613 174.900 0.088 0.000 1.162 198 G CA 0.865 46.049 45.100 0.139 0.000 0.777 198 G HN 0.312 nan 8.290 nan 0.000 0.539 199 A N 0.178 123.017 122.820 0.032 0.000 1.902 199 A HA 0.068 4.388 4.320 0.000 0.000 0.217 199 A C 2.594 180.180 177.584 0.002 0.000 1.181 199 A CA 1.836 53.864 52.037 -0.015 0.000 0.623 199 A CB -0.599 18.400 19.000 -0.001 0.000 0.818 199 A HN 0.261 nan 8.150 nan 0.000 0.443 200 V N 0.670 120.607 119.914 0.039 0.000 2.343 200 V HA -0.241 3.879 4.120 0.000 0.000 0.247 200 V C 2.144 178.343 176.094 0.176 0.000 1.051 200 V CA 2.236 64.593 62.300 0.094 0.000 1.036 200 V CB -0.847 30.983 31.823 0.010 0.000 0.654 200 V HN 0.490 nan 8.190 nan 0.000 0.451 201 D N -0.492 119.989 120.400 0.135 0.000 2.123 201 D HA -0.215 4.426 4.640 0.000 0.000 0.196 201 D C 2.058 178.346 176.300 -0.021 0.000 0.992 201 D CA 1.537 55.643 54.000 0.177 0.000 0.833 201 D CB -0.293 40.681 40.800 0.290 0.000 0.954 201 D HN 0.357 nan 8.370 nan 0.000 0.455 202 M N 0.103 119.467 119.600 -0.394 0.000 2.086 202 M HA -0.159 4.321 4.480 0.000 0.000 0.261 202 M C 2.119 178.244 176.300 -0.291 0.000 1.067 202 M CA 1.311 56.097 55.300 -0.856 0.000 1.116 202 M CB -0.066 31.996 32.600 -0.897 0.000 1.348 202 M HN -0.050 nan 8.290 nan 0.000 0.407 203 I N -0.188 120.336 120.570 -0.078 0.000 2.163 203 I HA -0.234 3.936 4.170 0.000 0.000 0.243 203 I C 2.528 178.667 176.117 0.038 0.000 1.085 203 I CA 1.570 62.904 61.300 0.057 0.000 1.347 203 I CB -0.999 37.138 38.000 0.228 0.000 1.044 203 I HN 0.453 nan 8.210 nan 0.000 0.408 204 G N 0.180 109.026 108.800 0.077 0.000 2.418 204 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 204 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 204 G C 1.240 176.097 174.900 -0.072 0.000 1.158 204 G CA 1.075 46.073 45.100 -0.169 0.000 0.771 204 G HN 0.287 nan 8.290 nan 0.000 0.545 205 D N 0.374 120.786 120.400 0.020 0.000 2.091 205 D HA -0.015 4.625 4.640 0.000 0.000 0.199 205 D C 2.655 179.027 176.300 0.120 0.000 0.980 205 D CA 0.608 54.650 54.000 0.070 0.000 0.831 205 D CB -0.260 40.629 40.800 0.150 0.000 0.987 205 D HN 0.317 nan 8.370 nan 0.000 0.460 206 L N -0.221 121.061 121.223 0.100 0.000 2.307 206 L HA 0.114 4.454 4.340 0.000 0.000 0.211 206 L C 1.734 178.718 176.870 0.189 0.000 1.099 206 L CA 0.398 55.361 54.840 0.205 0.000 0.816 206 L CB 0.010 42.163 42.059 0.157 0.000 0.952 206 L HN -0.036 nan 8.230 nan 0.000 0.455 207 L N -0.485 120.769 121.223 0.052 0.000 2.700 207 L HA 0.154 4.494 4.340 0.000 0.000 0.234 207 L C 0.471 177.234 176.870 -0.178 0.000 1.156 207 L CA -0.010 54.783 54.840 -0.079 0.000 0.946 207 L CB -0.417 41.563 42.059 -0.131 0.000 1.216 207 L HN 0.415 nan 8.230 nan 0.000 0.493 208 N N 1.124 119.799 118.700 -0.043 0.000 2.735 208 N HA -0.193 4.547 4.740 0.000 0.000 0.248 208 N C 0.788 176.167 175.510 -0.219 0.000 1.083 208 N CA 0.260 53.235 53.050 -0.125 0.000 0.703 208 N CB -0.001 38.152 38.487 -0.557 0.000 1.005 208 N HN 0.371 nan 8.380 nan 0.000 0.550 209 E N -0.119 119.932 120.200 -0.248 0.000 2.400 209 E HA -0.063 4.287 4.350 0.000 0.000 0.195 209 E C 1.136 177.314 176.600 -0.702 0.000 1.012 209 E CA 0.360 56.534 56.400 -0.377 0.000 0.875 209 E CB 0.010 29.532 29.700 -0.297 0.000 0.859 209 E HN 0.550 nan 8.360 nan 0.000 0.498 210 D N 0.919 120.970 120.400 -0.581 0.000 2.104 210 D HA -0.122 4.518 4.640 0.000 0.000 0.194 210 D C 1.685 177.881 176.300 -0.173 0.000 0.994 210 D CA 1.475 55.174 54.000 -0.501 0.000 0.830 210 D CB 0.159 40.870 40.800 -0.148 0.000 0.959 210 D HN -0.118 nan 8.370 nan 0.000 0.452 211 S N -1.204 114.452 115.700 -0.072 0.000 2.507 211 S HA 0.046 4.516 4.470 0.000 0.000 0.235 211 S C 1.547 176.175 174.600 0.047 0.000 0.988 211 S CA 0.807 59.040 58.200 0.054 0.000 0.944 211 S CB 0.263 63.493 63.200 0.051 0.000 0.762 211 S HN 0.441 nan 8.310 nan 0.000 0.526 212 G N -1.177 107.581 108.800 -0.070 0.000 3.575 212 G HA2 0.140 4.100 3.960 0.000 0.000 0.273 212 G HA3 0.140 4.100 3.960 0.000 0.000 0.273 212 G C 0.505 175.398 174.900 -0.012 0.000 1.053 212 G CA -0.243 44.790 45.100 -0.112 0.000 0.803 212 G HN 0.343 nan 8.290 nan 0.000 0.528 213 Y N 0.778 121.101 120.300 0.039 0.000 2.421 213 Y HA -0.069 4.481 4.550 0.000 0.000 0.292 213 Y C 2.139 178.122 175.900 0.139 0.000 1.136 213 Y CA -0.042 58.130 58.100 0.120 0.000 1.255 213 Y CB -0.166 38.391 38.460 0.162 0.000 0.991 213 Y HN 0.612 nan 8.280 nan 0.000 0.552 214 Y N -1.474 119.002 120.300 0.294 0.000 2.457 214 Y HA 0.390 4.941 4.550 0.000 0.000 0.263 214 Y C 0.737 176.755 175.900 0.195 0.000 1.164 214 Y CA -0.930 57.292 58.100 0.203 0.000 1.274 214 Y CB -1.116 37.428 38.460 0.140 0.000 1.097 214 Y HN -0.171 nan 8.280 nan 0.000 0.523 215 V N -0.776 118.986 119.914 -0.253 0.000 3.214 215 V HA 0.366 4.487 4.120 0.000 0.000 0.306 215 V C 0.748 176.957 176.094 0.192 0.000 1.078 215 V CA -0.786 61.477 62.300 -0.061 0.000 1.077 215 V CB 1.151 32.910 31.823 -0.106 0.000 1.121 215 V HN 0.303 nan 8.190 nan 0.000 0.468 216 S N 0.885 116.744 115.700 0.265 0.000 2.546 216 S HA 0.034 4.504 4.470 0.000 0.000 0.290 216 S C 0.506 175.336 174.600 0.385 0.000 1.290 216 S CA -0.048 58.361 58.200 0.348 0.000 1.069 216 S CB -0.495 62.980 63.200 0.459 0.000 0.846 216 S HN 0.882 nan 8.310 nan 0.000 0.495 217 F N 6.278 126.360 119.950 0.221 0.000 2.269 217 F HA -0.062 4.466 4.527 0.000 0.000 0.301 217 F C 1.557 177.417 175.800 0.100 0.000 1.082 217 F CA 0.970 59.066 58.000 0.159 0.000 1.360 217 F CB -0.331 38.742 39.000 0.122 0.000 1.041 217 F HN 0.656 nan 8.300 nan 0.000 0.512 218 I N 0.390 120.977 120.570 0.028 0.000 2.248 218 I HA -0.267 3.903 4.170 0.000 0.000 0.248 218 I C 2.288 178.305 176.117 -0.167 0.000 1.107 218 I CA 1.206 62.399 61.300 -0.178 0.000 1.373 218 I CB -1.396 36.410 38.000 -0.324 0.000 1.055 218 I HN 0.190 nan 8.210 nan 0.000 0.418 219 E N 0.342 120.612 120.200 0.116 0.000 2.077 219 E HA -0.195 4.156 4.350 0.000 0.000 0.193 219 E C 2.328 178.925 176.600 -0.005 0.000 0.989 219 E CA 1.505 57.963 56.400 0.097 0.000 0.800 219 E CB -0.305 29.545 29.700 0.251 0.000 0.746 219 E HN 0.395 nan 8.360 nan 0.000 0.452 220 S N 0.545 116.266 115.700 0.036 0.000 2.356 220 S HA -0.103 4.367 4.470 0.000 0.000 0.223 220 S C 2.161 176.691 174.600 -0.117 0.000 1.032 220 S CA 0.809 59.051 58.200 0.070 0.000 1.005 220 S CB -0.203 63.172 63.200 0.292 0.000 0.867 220 S HN 0.157 nan 8.310 nan 0.000 0.449 221 L N 0.745 121.692 121.223 -0.461 0.000 2.046 221 L HA -0.111 4.229 4.340 0.000 0.000 0.208 221 L C 2.681 179.099 176.870 -0.753 0.000 1.077 221 L CA 1.467 55.985 54.840 -0.536 0.000 0.747 221 L CB -0.465 41.243 42.059 -0.585 0.000 0.896 221 L HN 0.297 nan 8.230 nan 0.000 0.432 222 K N -1.133 118.781 120.400 -0.810 0.000 2.097 222 K HA -0.145 4.175 4.320 0.000 0.000 0.205 222 K C 2.140 178.485 176.600 -0.425 0.000 1.050 222 K CA 0.966 56.735 56.287 -0.862 0.000 0.938 222 K CB -0.134 31.979 32.500 -0.645 0.000 0.718 222 K HN 0.355 nan 8.250 nan 0.000 0.442 223 H N 0.333 119.364 119.070 -0.065 0.000 2.395 223 H HA -0.086 4.470 4.556 0.000 0.000 0.299 223 H C 1.703 177.142 175.328 0.186 0.000 1.070 223 H CA 1.387 57.554 56.048 0.199 0.000 1.356 223 H CB -0.155 29.750 29.762 0.239 0.000 1.401 223 H HN 0.323 nan 8.280 nan 0.000 0.524 224 D N 0.691 121.167 120.400 0.127 0.000 2.123 224 D HA -0.171 4.470 4.640 0.000 0.000 0.196 224 D C 1.887 178.300 176.300 0.188 0.000 0.992 224 D CA 1.445 55.520 54.000 0.125 0.000 0.833 224 D CB -0.091 40.807 40.800 0.164 0.000 0.954 224 D HN 0.237 nan 8.370 nan 0.000 0.455 225 D N -1.107 119.292 120.400 -0.001 0.000 2.182 225 D HA -0.134 4.506 4.640 0.000 0.000 0.201 225 D C 1.893 178.201 176.300 0.014 0.000 0.986 225 D CA 1.087 55.075 54.000 -0.019 0.000 0.847 225 D CB -0.017 40.610 40.800 -0.289 0.000 0.942 225 D HN 0.389 nan 8.370 nan 0.000 0.467 226 I N -1.173 119.356 120.570 -0.069 0.000 2.368 226 I HA -0.084 4.086 4.170 0.000 0.000 0.238 226 I C 1.650 177.691 176.117 -0.126 0.000 1.076 226 I CA 0.425 61.570 61.300 -0.259 0.000 1.397 226 I CB -0.261 37.392 38.000 -0.578 0.000 1.141 226 I HN -0.043 nan 8.210 nan 0.000 0.430 227 F N 0.849 120.902 119.950 0.171 0.000 2.234 227 F HA -0.092 4.435 4.527 0.000 0.000 0.299 227 F C 2.423 178.257 175.800 0.057 0.000 1.087 227 F CA 1.087 59.194 58.000 0.178 0.000 1.340 227 F CB -0.383 38.675 39.000 0.097 0.000 1.031 227 F HN 0.011 nan 8.300 nan 0.000 0.500 228 A N -2.056 120.832 122.820 0.114 0.000 2.178 228 A HA 0.022 4.342 4.320 0.000 0.000 0.211 228 A C 1.129 178.415 177.584 -0.498 0.000 1.157 228 A CA 0.781 52.697 52.037 -0.202 0.000 0.780 228 A CB -0.589 18.223 19.000 -0.314 0.000 0.828 228 A HN 0.475 nan 8.150 nan 0.000 0.476 229 Y N -1.354 118.956 120.300 0.016 0.000 2.452 229 Y HA 0.256 4.806 4.550 0.000 0.000 0.262 229 Y C 0.616 176.467 175.900 -0.082 0.000 1.089 229 Y CA -0.324 57.756 58.100 -0.033 0.000 1.262 229 Y CB 0.514 38.940 38.460 -0.057 0.000 1.236 229 Y HN 0.214 nan 8.280 nan 0.000 0.512 230 E N 1.791 121.979 120.200 -0.021 0.000 2.223 230 E HA 0.137 4.487 4.350 0.000 0.000 0.282 230 E C 0.296 176.851 176.600 -0.075 0.000 1.046 230 E CA 0.203 56.484 56.400 -0.199 0.000 0.857 230 E CB 0.705 30.042 29.700 -0.605 0.000 1.055 230 E HN 0.177 nan 8.360 nan 0.000 0.409 231 K N 3.190 123.546 120.400 -0.074 0.000 2.379 231 K HA 0.099 4.419 4.320 0.000 0.000 0.194 231 K C 0.248 176.874 176.600 0.042 0.000 1.031 231 K CA 0.063 56.360 56.287 0.017 0.000 1.037 231 K CB 0.402 32.907 32.500 0.009 0.000 0.824 231 K HN 0.154 nan 8.250 nan 0.000 0.516 232 R N 0.476 120.931 120.500 -0.075 0.000 2.538 232 R HA 0.309 4.649 4.340 0.000 0.000 0.292 232 R C -1.758 174.431 176.300 -0.184 0.000 1.008 232 R CA -0.364 55.725 56.100 -0.019 0.000 0.896 232 R CB 0.494 30.775 30.300 -0.032 0.000 1.187 232 R HN -0.240 nan 8.270 nan 0.000 0.440 233 F N 1.599 121.584 119.950 0.059 0.000 2.538 233 F HA 0.568 5.095 4.527 0.000 0.000 0.325 233 F C 0.093 175.979 175.800 0.143 0.000 1.066 233 F CA -0.374 57.666 58.000 0.066 0.000 0.946 233 F CB 2.238 41.313 39.000 0.125 0.000 1.199 233 F HN 0.368 nan 8.300 nan 0.000 0.473 234 D N 0.276 120.855 120.400 0.298 0.000 2.581 234 D HA 0.273 4.913 4.640 0.000 0.000 0.232 234 D C -1.191 175.261 176.300 0.252 0.000 1.143 234 D CA -0.524 53.638 54.000 0.268 0.000 0.881 234 D CB 2.868 43.767 40.800 0.165 0.000 1.500 234 D HN 0.664 nan 8.370 nan 0.000 0.458 235 E N 0.277 120.647 120.200 0.284 0.000 2.235 235 E HA 0.536 4.886 4.350 0.000 0.000 0.265 235 E C -0.616 176.097 176.600 0.188 0.000 0.940 235 E CA -0.803 55.743 56.400 0.243 0.000 0.819 235 E CB 1.791 31.712 29.700 0.369 0.000 1.206 235 E HN 0.299 nan 8.360 nan 0.000 0.409 236 I N 2.204 122.859 120.570 0.140 0.000 2.396 236 I HA 0.050 4.220 4.170 0.000 0.000 0.289 236 I C -0.009 176.155 176.117 0.079 0.000 1.056 236 I CA -0.786 60.572 61.300 0.096 0.000 1.365 236 I CB 1.243 39.279 38.000 0.060 0.000 1.407 236 I HN 0.365 nan 8.210 nan 0.000 0.509 237 V N 7.141 127.107 119.914 0.087 0.000 2.617 237 V HA -0.084 4.036 4.120 0.000 0.000 0.304 237 V C 0.622 176.721 176.094 0.007 0.000 1.040 237 V CA 0.744 63.095 62.300 0.085 0.000 1.149 237 V CB 0.271 32.152 31.823 0.096 0.000 0.914 237 V HN 0.939 nan 8.190 nan 0.000 0.487 238 D N 2.118 122.511 120.400 -0.010 0.000 3.006 238 D HA -0.129 4.511 4.640 0.000 0.000 0.205 238 D C 0.441 176.346 176.300 -0.659 0.000 1.075 238 D CA 1.686 55.586 54.000 -0.167 0.000 1.000 238 D CB -1.349 39.428 40.800 -0.039 0.000 1.097 238 D HN 1.602 nan 8.370 nan 0.000 0.426 239 G N -0.886 107.490 108.800 -0.706 0.000 2.697 239 G HA2 -0.000 3.960 3.960 0.000 0.000 0.684 239 G HA3 -0.000 3.960 3.960 0.000 0.000 0.684 239 G C 0.675 175.436 174.900 -0.231 0.000 1.274 239 G CA -0.030 44.647 45.100 -0.705 0.000 0.806 239 G HN -0.053 nan 8.290 nan 0.000 0.644 240 M N 1.219 120.762 119.600 -0.095 0.000 2.279 240 M HA -0.036 4.444 4.480 0.000 0.000 0.264 240 M C 2.256 178.540 176.300 -0.027 0.000 1.062 240 M CA 2.191 57.483 55.300 -0.013 0.000 1.099 240 M CB -0.999 31.622 32.600 0.035 0.000 1.394 240 M HN 0.841 nan 8.290 nan 0.000 0.426 241 D N 0.072 120.439 120.400 -0.055 0.000 2.378 241 D HA -0.147 4.494 4.640 0.000 0.000 0.222 241 D C 1.416 177.678 176.300 -0.063 0.000 0.980 241 D CA 0.761 54.731 54.000 -0.050 0.000 0.907 241 D CB -0.345 40.423 40.800 -0.054 0.000 0.899 241 D HN 0.165 nan 8.370 nan 0.000 0.527 242 K N -0.006 120.350 120.400 -0.073 0.000 2.152 242 K HA -0.102 4.218 4.320 0.000 0.000 0.206 242 K C 1.982 178.558 176.600 -0.040 0.000 1.048 242 K CA 0.380 56.633 56.287 -0.057 0.000 0.933 242 K CB -0.457 32.014 32.500 -0.048 0.000 0.721 242 K HN 0.275 nan 8.250 nan 0.000 0.447 243 L N 2.190 123.406 121.223 -0.012 0.000 1.961 243 L HA -0.089 4.251 4.340 0.000 0.000 0.210 243 L C -1.075 175.746 176.870 -0.083 0.000 1.072 243 L CA 1.895 56.740 54.840 0.008 0.000 0.749 243 L CB -1.427 40.670 42.059 0.063 0.000 0.889 243 L HN 0.037 nan 8.230 nan 0.000 0.432 244 P HA -0.138 nan 4.420 nan 0.000 0.216 244 P C 1.536 178.805 177.300 -0.052 0.000 1.150 244 P CA 1.916 64.976 63.100 -0.065 0.000 0.837 244 P CB -0.308 31.372 31.700 -0.034 0.000 0.786 245 T N 0.378 114.903 114.554 -0.047 0.000 2.684 245 T HA -0.134 4.216 4.350 0.000 0.000 0.267 245 T C 2.075 176.749 174.700 -0.044 0.000 1.036 245 T CA 2.001 64.109 62.100 0.015 0.000 1.148 245 T CB -0.910 67.946 68.868 -0.020 0.000 0.863 245 T HN 0.106 nan 8.240 nan 0.000 0.436 246 A N 1.050 123.734 122.820 -0.227 0.000 1.933 246 A HA -0.031 4.290 4.320 0.000 0.000 0.218 246 A C 2.314 179.390 177.584 -0.848 0.000 1.175 246 A CA 1.755 53.505 52.037 -0.478 0.000 0.628 246 A CB -0.699 17.988 19.000 -0.523 0.000 0.814 246 A HN 0.514 nan 8.150 nan 0.000 0.444 247 M N -1.787 117.287 119.600 -0.876 0.000 2.086 247 M HA -0.156 4.324 4.480 0.000 0.000 0.261 247 M C 2.167 178.373 176.300 -0.156 0.000 1.067 247 M CA 2.321 57.231 55.300 -0.649 0.000 1.116 247 M CB -0.377 31.983 32.600 -0.401 0.000 1.348 247 M HN 0.574 nan 8.290 nan 0.000 0.407 248 Y N 1.009 121.210 120.300 -0.164 0.000 2.114 248 Y HA -0.304 4.246 4.550 0.000 0.000 0.282 248 Y C 2.159 178.035 175.900 -0.041 0.000 1.165 248 Y CA 2.119 60.187 58.100 -0.052 0.000 1.148 248 Y CB -0.617 37.852 38.460 0.015 0.000 0.972 248 Y HN 0.198 nan 8.280 nan 0.000 0.504 249 R N 0.054 120.314 120.500 -0.401 0.000 2.103 249 R HA -0.194 4.146 4.340 0.000 0.000 0.242 249 R C 1.736 177.859 176.300 -0.295 0.000 1.142 249 R CA 1.700 57.529 56.100 -0.451 0.000 0.960 249 R CB -0.438 29.737 30.300 -0.208 0.000 0.858 249 R HN 0.398 nan 8.270 nan 0.000 0.439 250 D N 0.207 120.524 120.400 -0.139 0.000 2.264 250 D HA -0.085 4.555 4.640 0.000 0.000 0.208 250 D C 1.287 177.551 176.300 -0.061 0.000 0.966 250 D CA 1.023 55.023 54.000 -0.001 0.000 0.864 250 D CB 0.169 41.136 40.800 0.278 0.000 0.933 250 D HN 0.447 nan 8.370 nan 0.000 0.499 251 I N -2.525 117.975 120.570 -0.117 0.000 3.817 251 I HA 0.258 4.428 4.170 0.000 0.000 0.325 251 I C 1.457 177.446 176.117 -0.213 0.000 1.550 251 I CA -0.401 60.826 61.300 -0.122 0.000 1.100 251 I CB 0.248 38.222 38.000 -0.042 0.000 1.216 251 I HN -0.259 nan 8.210 nan 0.000 0.481 252 Q N 2.832 122.408 119.800 -0.373 0.000 2.096 252 Q HA -0.263 4.077 4.340 0.000 0.000 0.208 252 Q C 1.683 177.546 176.000 -0.229 0.000 0.993 252 Q CA 2.824 58.310 55.803 -0.529 0.000 0.862 252 Q CB -0.024 28.384 28.738 -0.550 0.000 0.915 252 Q HN 0.801 nan 8.270 nan 0.000 0.416 253 D N -0.567 119.732 120.400 -0.169 0.000 2.309 253 D HA -0.178 4.462 4.640 0.000 0.000 0.212 253 D C 0.908 177.113 176.300 -0.159 0.000 0.968 253 D CA 0.992 54.924 54.000 -0.114 0.000 0.882 253 D CB -0.048 40.710 40.800 -0.070 0.000 0.918 253 D HN 0.295 nan 8.370 nan 0.000 0.503 254 K N -0.042 120.238 120.400 -0.201 0.000 2.353 254 K HA 0.181 4.501 4.320 0.000 0.000 0.195 254 K C 0.030 176.368 176.600 -0.436 0.000 1.031 254 K CA -0.070 56.092 56.287 -0.209 0.000 1.079 254 K CB 1.571 34.011 32.500 -0.100 0.000 0.857 254 K HN -0.030 nan 8.250 nan 0.000 0.535 255 V N 2.745 122.348 119.914 -0.519 0.000 2.398 255 V HA 0.183 4.303 4.120 0.000 0.000 0.286 255 V C -0.513 175.008 176.094 -0.956 0.000 1.026 255 V CA -0.897 61.032 62.300 -0.618 0.000 0.868 255 V CB 1.108 32.748 31.823 -0.305 0.000 0.982 255 V HN 0.231 nan 8.190 nan 0.000 0.443 256 H N 4.718 123.501 119.070 -0.478 0.000 2.587 256 H HA 0.479 5.035 4.556 0.000 0.000 0.325 256 H C -0.752 174.268 175.328 -0.513 0.000 1.012 256 H CA -0.478 55.328 56.048 -0.404 0.000 1.213 256 H CB 1.228 30.819 29.762 -0.285 0.000 1.431 256 H HN 0.429 nan 8.280 nan 0.000 0.492 257 F N 1.142 121.093 119.950 0.002 0.000 2.380 257 F HA 0.134 4.661 4.527 0.000 0.000 0.319 257 F C 1.409 177.199 175.800 -0.017 0.000 1.113 257 F CA -0.723 57.245 58.000 -0.053 0.000 1.056 257 F CB 0.452 39.399 39.000 -0.088 0.000 1.289 257 F HN 0.506 nan 8.300 nan 0.000 0.515 258 N N 0.043 118.854 118.700 0.185 0.000 2.727 258 N HA -0.202 4.538 4.740 0.000 0.000 0.249 258 N C -0.835 174.739 175.510 0.108 0.000 1.048 258 N CA 0.795 53.915 53.050 0.117 0.000 0.714 258 N CB -1.035 37.526 38.487 0.124 0.000 0.959 258 N HN 0.616 nan 8.380 nan 0.000 0.544 259 A N 0.829 123.677 122.820 0.046 0.000 2.536 259 A HA 0.351 4.671 4.320 0.000 0.000 0.329 259 A C 0.207 177.799 177.584 0.015 0.000 1.321 259 A CA -0.497 51.558 52.037 0.030 0.000 0.804 259 A CB 0.722 19.554 19.000 -0.280 0.000 1.126 259 A HN 0.261 nan 8.150 nan 0.000 0.480 260 Q N 2.499 122.368 119.800 0.115 0.000 2.377 260 Q HA 0.450 4.790 4.340 0.000 0.000 0.249 260 Q C -0.763 175.308 176.000 0.119 0.000 1.005 260 Q CA -0.322 55.533 55.803 0.087 0.000 0.912 260 Q CB 0.859 29.669 28.738 0.120 0.000 1.223 260 Q HN 0.496 nan 8.270 nan 0.000 0.459 261 V N 6.915 126.872 119.914 0.072 0.000 2.540 261 V HA -0.057 4.064 4.120 0.000 0.000 0.297 261 V C 1.097 177.208 176.094 0.029 0.000 1.024 261 V CA 0.821 63.161 62.300 0.067 0.000 1.105 261 V CB 0.289 32.118 31.823 0.010 0.000 0.938 261 V HN 0.859 nan 8.190 nan 0.000 0.482 262 I N 1.202 121.777 120.570 0.009 0.000 4.312 262 I HA 0.447 4.617 4.170 0.000 0.000 0.324 262 I C 0.446 176.506 176.117 -0.095 0.000 1.298 262 I CA 0.056 61.340 61.300 -0.027 0.000 1.231 262 I CB 0.335 38.334 38.000 -0.002 0.000 1.152 262 I HN 0.412 nan 8.210 nan 0.000 0.421 263 K N 1.939 122.268 120.400 -0.119 0.000 2.523 263 K HA 0.702 5.022 4.320 0.000 0.000 0.257 263 K C -1.379 175.099 176.600 -0.202 0.000 0.932 263 K CA -0.475 55.707 56.287 -0.175 0.000 0.812 263 K CB 3.241 35.683 32.500 -0.098 0.000 1.326 263 K HN 0.021 nan 8.250 nan 0.000 0.433 264 I N 2.204 122.590 120.570 -0.307 0.000 2.478 264 I HA 0.259 4.429 4.170 0.000 0.000 0.287 264 I C -0.918 175.158 176.117 -0.068 0.000 1.042 264 I CA -0.647 60.533 61.300 -0.201 0.000 1.067 264 I CB 2.220 40.056 38.000 -0.272 0.000 1.233 264 I HN 0.550 nan 8.210 nan 0.000 0.431 265 Q N 6.297 126.091 119.800 -0.010 0.000 2.387 265 Q HA 0.618 4.959 4.340 0.000 0.000 0.273 265 Q C -1.519 174.505 176.000 0.040 0.000 1.089 265 Q CA -0.668 55.153 55.803 0.030 0.000 0.824 265 Q CB 2.655 31.398 28.738 0.009 0.000 1.367 265 Q HN 0.682 nan 8.270 nan 0.000 0.443 266 Q N 1.358 121.191 119.800 0.054 0.000 2.416 266 Q HA 0.561 4.901 4.340 0.000 0.000 0.281 266 Q C -1.426 174.591 176.000 0.029 0.000 1.067 266 Q CA -0.989 54.837 55.803 0.038 0.000 0.809 266 Q CB 1.695 30.468 28.738 0.057 0.000 1.418 266 Q HN 0.710 nan 8.270 nan 0.000 0.411 267 N N 0.248 118.956 118.700 0.012 0.000 3.091 267 N HA 0.283 5.023 4.740 0.000 0.000 0.329 267 N C -0.375 175.138 175.510 0.006 0.000 1.430 267 N CA -0.600 52.457 53.050 0.012 0.000 0.755 267 N CB 0.197 38.688 38.487 0.006 0.000 1.626 267 N HN 0.530 nan 8.380 nan 0.000 0.614 268 D N -0.945 119.460 120.400 0.007 0.000 2.309 268 D HA -0.078 4.562 4.640 0.000 0.000 0.212 268 D C 0.871 177.166 176.300 -0.008 0.000 0.968 268 D CA 1.463 55.468 54.000 0.008 0.000 0.882 268 D CB 0.099 40.907 40.800 0.013 0.000 0.918 268 D HN 0.523 nan 8.370 nan 0.000 0.503 269 Q N -0.907 118.881 119.800 -0.021 0.000 2.423 269 Q HA 0.191 4.531 4.340 0.000 0.000 0.231 269 Q C 0.231 176.182 176.000 -0.081 0.000 0.894 269 Q CA 0.488 56.267 55.803 -0.040 0.000 0.938 269 Q CB 0.955 29.679 28.738 -0.024 0.000 1.079 269 Q HN -0.109 nan 8.270 nan 0.000 0.552 270 K N -0.169 120.188 120.400 -0.070 0.000 2.555 270 K HA 0.539 4.859 4.320 0.000 0.000 0.279 270 K C -1.210 175.350 176.600 -0.066 0.000 0.986 270 K CA -0.744 55.490 56.287 -0.089 0.000 0.880 270 K CB 2.170 34.637 32.500 -0.055 0.000 1.474 270 K HN -0.024 nan 8.250 nan 0.000 0.433 271 V N -2.006 117.862 119.914 -0.077 0.000 2.815 271 V HA 0.809 4.930 4.120 0.000 0.000 0.314 271 V C -0.514 175.554 176.094 -0.043 0.000 1.064 271 V CA -0.351 61.923 62.300 -0.042 0.000 0.952 271 V CB 1.910 33.715 31.823 -0.031 0.000 1.020 271 V HN 0.675 nan 8.190 nan 0.000 0.439 272 T N 3.066 117.605 114.554 -0.025 0.000 2.840 272 T HA 0.633 4.983 4.350 0.000 0.000 0.287 272 T C -0.676 174.010 174.700 -0.022 0.000 0.991 272 T CA -0.354 61.732 62.100 -0.022 0.000 0.964 272 T CB 1.443 70.301 68.868 -0.016 0.000 0.954 272 T HN 0.761 nan 8.240 nan 0.000 0.438 273 V N 3.977 123.885 119.914 -0.009 0.000 2.384 273 V HA 0.524 4.644 4.120 0.000 0.000 0.287 273 V C -0.143 175.986 176.094 0.058 0.000 1.020 273 V CA -0.767 61.537 62.300 0.007 0.000 0.850 273 V CB 1.666 33.496 31.823 0.013 0.000 0.987 273 V HN 0.704 nan 8.190 nan 0.000 0.436 274 V N 6.179 126.108 119.914 0.026 0.000 2.435 274 V HA 0.610 4.730 4.120 0.000 0.000 0.290 274 V C -0.711 175.426 176.094 0.073 0.000 1.030 274 V CA -0.642 61.656 62.300 -0.003 0.000 0.881 274 V CB 1.375 33.164 31.823 -0.057 0.000 0.983 274 V HN 0.892 nan 8.190 nan 0.000 0.445 275 Y N 0.983 121.257 120.300 -0.044 0.000 2.524 275 Y HA 0.768 5.318 4.550 0.000 0.000 0.347 275 Y C -0.388 175.499 175.900 -0.021 0.000 1.005 275 Y CA -1.368 56.712 58.100 -0.033 0.000 1.025 275 Y CB 1.227 39.667 38.460 -0.033 0.000 1.275 275 Y HN 0.599 nan 8.280 nan 0.000 0.460 276 E N 1.663 121.933 120.200 0.117 0.000 2.319 276 E HA 0.446 4.796 4.350 0.000 0.000 0.268 276 E C -0.276 176.418 176.600 0.158 0.000 1.050 276 E CA -0.407 56.029 56.400 0.061 0.000 0.878 276 E CB 1.465 31.204 29.700 0.066 0.000 1.066 276 E HN 0.839 nan 8.360 nan 0.000 0.406 277 T N -1.540 113.067 114.554 0.088 0.000 2.762 277 T HA 0.330 4.680 4.350 0.000 0.000 0.272 277 T C 1.031 175.780 174.700 0.082 0.000 0.982 277 T CA -0.814 61.359 62.100 0.122 0.000 1.013 277 T CB 0.311 69.237 68.868 0.096 0.000 1.309 277 T HN 0.356 nan 8.240 nan 0.000 0.572 278 L N 0.915 122.186 121.223 0.079 0.000 2.291 278 L HA 0.119 4.459 4.340 0.000 0.000 0.214 278 L C 1.878 178.772 176.870 0.040 0.000 1.120 278 L CA 0.594 55.470 54.840 0.060 0.000 0.799 278 L CB -0.502 41.593 42.059 0.060 0.000 0.925 278 L HN 0.826 nan 8.230 nan 0.000 0.446 279 S N -0.965 114.754 115.700 0.032 0.000 2.666 279 S HA 0.163 4.633 4.470 0.000 0.000 0.279 279 S C 0.964 175.567 174.600 0.005 0.000 1.149 279 S CA -0.681 57.528 58.200 0.016 0.000 1.020 279 S CB 0.844 64.050 63.200 0.011 0.000 1.127 279 S HN 0.016 nan 8.310 nan 0.000 0.537 280 K N 0.249 120.647 120.400 -0.004 0.000 2.439 280 K HA 0.068 4.388 4.320 0.000 0.000 0.197 280 K C 0.536 177.116 176.600 -0.033 0.000 1.041 280 K CA 0.330 56.608 56.287 -0.014 0.000 0.970 280 K CB -0.195 32.297 32.500 -0.013 0.000 0.773 280 K HN 0.633 nan 8.250 nan 0.000 0.479 281 E N 2.018 122.195 120.200 -0.038 0.000 2.415 281 E HA -0.051 4.299 4.350 0.000 0.000 0.263 281 E C -0.502 176.027 176.600 -0.120 0.000 0.995 281 E CA 0.382 56.739 56.400 -0.072 0.000 0.915 281 E CB 0.522 30.184 29.700 -0.063 0.000 0.951 281 E HN 0.041 nan 8.360 nan 0.000 0.449 282 T N 2.847 117.303 114.554 -0.164 0.000 3.327 282 T HA 0.401 4.751 4.350 0.000 0.000 0.373 282 T C -2.560 171.930 174.700 -0.351 0.000 1.589 282 T CA -1.912 60.040 62.100 -0.247 0.000 1.497 282 T CB 0.915 69.692 68.868 -0.151 0.000 1.032 282 T HN 0.178 nan 8.240 nan 0.000 0.640 283 P HA 0.324 nan 4.420 nan 0.000 0.271 283 P C -0.133 176.902 177.300 -0.441 0.000 1.233 283 P CA -0.228 62.575 63.100 -0.495 0.000 0.789 283 P CB 0.595 31.939 31.700 -0.593 0.000 0.951 284 S N -0.123 115.461 115.700 -0.193 0.000 2.568 284 S HA 0.656 5.127 4.470 0.000 0.000 0.302 284 S C -0.824 173.791 174.600 0.024 0.000 1.082 284 S CA -0.817 57.340 58.200 -0.071 0.000 1.009 284 S CB 1.560 64.728 63.200 -0.053 0.000 1.069 284 S HN 0.322 nan 8.310 nan 0.000 0.500 285 V N 2.069 122.032 119.914 0.080 0.000 2.531 285 V HA 0.666 4.786 4.120 0.000 0.000 0.301 285 V C -0.642 175.471 176.094 0.031 0.000 1.034 285 V CA -0.095 62.259 62.300 0.091 0.000 0.865 285 V CB 1.817 33.723 31.823 0.138 0.000 0.995 285 V HN 1.121 nan 8.190 nan 0.000 0.424 286 T N 6.317 120.895 114.554 0.040 0.000 2.837 286 T HA 0.878 5.228 4.350 0.000 0.000 0.285 286 T C -0.068 174.621 174.700 -0.019 0.000 0.984 286 T CA 0.349 62.452 62.100 0.005 0.000 1.049 286 T CB 1.415 70.297 68.868 0.023 0.000 0.947 286 T HN 1.324 nan 8.240 nan 0.000 0.472 287 A N 1.929 124.681 122.820 -0.114 0.000 2.557 287 A HA 0.613 4.933 4.320 0.000 0.000 0.292 287 A C 0.233 177.711 177.584 -0.177 0.000 1.139 287 A CA -0.650 51.248 52.037 -0.230 0.000 0.665 287 A CB 0.739 19.358 19.000 -0.635 0.000 1.285 287 A HN 0.659 nan 8.150 nan 0.000 0.433 288 D N -1.063 119.219 120.400 -0.197 0.000 2.183 288 D HA 0.129 4.770 4.640 0.000 0.000 0.205 288 D C -0.522 175.338 176.300 -0.734 0.000 0.962 288 D CA 2.032 55.777 54.000 -0.425 0.000 0.849 288 D CB 0.098 40.683 40.800 -0.357 0.000 0.978 288 D HN 0.450 nan 8.370 nan 0.000 0.488 289 Y N -1.103 119.166 120.300 -0.051 0.000 2.588 289 Y HA 0.444 4.994 4.550 0.000 0.000 0.343 289 Y C -0.488 175.378 175.900 -0.056 0.000 1.065 289 Y CA -1.109 56.983 58.100 -0.014 0.000 1.038 289 Y CB 2.214 40.645 38.460 -0.048 0.000 1.297 289 Y HN -0.361 nan 8.280 nan 0.000 0.467 290 V N 3.661 123.678 119.914 0.171 0.000 2.709 290 V HA 0.658 4.778 4.120 0.000 0.000 0.308 290 V C -1.419 174.709 176.094 0.055 0.000 1.062 290 V CA -0.806 61.526 62.300 0.054 0.000 0.901 290 V CB 1.667 33.494 31.823 0.008 0.000 1.003 290 V HN 0.671 nan 8.190 nan 0.000 0.425 291 I N 6.618 127.182 120.570 -0.009 0.000 2.355 291 I HA 0.428 4.598 4.170 0.000 0.000 0.288 291 I C -0.464 175.612 176.117 -0.067 0.000 0.999 291 I CA -0.898 60.381 61.300 -0.034 0.000 1.163 291 I CB 1.885 39.867 38.000 -0.031 0.000 1.316 291 I HN 0.297 nan 8.210 nan 0.000 0.454 292 V N 5.877 125.687 119.914 -0.173 0.000 2.385 292 V HA 0.103 4.223 4.120 0.000 0.000 0.269 292 V C 0.223 176.382 176.094 0.107 0.000 1.043 292 V CA -0.146 62.122 62.300 -0.053 0.000 0.906 292 V CB 1.050 32.807 31.823 -0.110 0.000 0.995 292 V HN 0.924 nan 8.190 nan 0.000 0.467 293 C N 3.563 122.939 119.300 0.126 0.000 2.859 293 C HA 0.299 4.759 4.460 0.000 0.000 0.256 293 C C 1.319 176.417 174.990 0.179 0.000 1.660 293 C CA -0.385 58.721 59.018 0.146 0.000 1.755 293 C CB -1.034 26.748 27.740 0.070 0.000 3.127 293 C HN 0.961 nan 8.230 nan 0.000 0.494 294 T N -1.180 113.517 114.554 0.239 0.000 2.852 294 T HA 0.522 4.872 4.350 0.000 0.000 0.281 294 T C 0.543 175.417 174.700 0.291 0.000 0.993 294 T CA 0.029 62.257 62.100 0.213 0.000 0.933 294 T CB 0.679 69.658 68.868 0.185 0.000 1.187 294 T HN 0.416 nan 8.240 nan 0.000 0.559 295 T N -0.714 113.957 114.554 0.194 0.000 2.748 295 T HA 0.227 4.577 4.350 0.000 0.000 0.304 295 T C 1.698 176.367 174.700 -0.052 0.000 1.041 295 T CA -0.162 62.030 62.100 0.154 0.000 1.033 295 T CB 0.362 69.237 68.868 0.011 0.000 0.995 295 T HN 0.840 nan 8.240 nan 0.000 0.536 296 S N 1.212 116.665 115.700 -0.411 0.000 2.368 296 S HA -0.168 4.302 4.470 0.000 0.000 0.225 296 S C 2.023 176.459 174.600 -0.273 0.000 1.030 296 S CA 0.560 58.343 58.200 -0.695 0.000 0.999 296 S CB -0.562 62.069 63.200 -0.948 0.000 0.844 296 S HN 0.741 nan 8.310 nan 0.000 0.459 297 R N 1.785 122.148 120.500 -0.230 0.000 2.091 297 R HA 0.033 4.373 4.340 0.000 0.000 0.238 297 R C 2.747 179.014 176.300 -0.054 0.000 1.136 297 R CA 1.312 57.323 56.100 -0.147 0.000 0.959 297 R CB -0.875 29.304 30.300 -0.202 0.000 0.856 297 R HN 0.570 nan 8.270 nan 0.000 0.437 298 A N 0.877 123.684 122.820 -0.023 0.000 1.972 298 A HA -0.109 4.212 4.320 0.000 0.000 0.219 298 A C 2.343 179.994 177.584 0.112 0.000 1.169 298 A CA 1.301 53.376 52.037 0.063 0.000 0.635 298 A CB -0.443 18.620 19.000 0.105 0.000 0.810 298 A HN 0.124 nan 8.150 nan 0.000 0.446 299 V N 0.001 119.991 119.914 0.127 0.000 2.392 299 V HA -0.270 3.850 4.120 0.000 0.000 0.249 299 V C 2.453 178.707 176.094 0.267 0.000 1.059 299 V CA 2.166 64.624 62.300 0.263 0.000 1.051 299 V CB -0.843 31.139 31.823 0.266 0.000 0.658 299 V HN 0.545 nan 8.190 nan 0.000 0.455 300 R N -0.456 120.121 120.500 0.129 0.000 2.285 300 R HA 0.049 4.389 4.340 0.000 0.000 0.213 300 R C 1.948 178.317 176.300 0.115 0.000 1.068 300 R CA 0.764 56.932 56.100 0.112 0.000 1.004 300 R CB -0.195 30.126 30.300 0.035 0.000 0.873 300 R HN 0.462 nan 8.270 nan 0.000 0.467 301 L N 0.365 121.651 121.223 0.105 0.000 2.446 301 L HA 0.139 4.479 4.340 0.000 0.000 0.219 301 L C 0.706 177.613 176.870 0.061 0.000 1.116 301 L CA 0.115 55.000 54.840 0.075 0.000 0.844 301 L CB 0.129 42.227 42.059 0.066 0.000 0.970 301 L HN 0.063 nan 8.230 nan 0.000 0.457 302 I N 0.895 121.510 120.570 0.076 0.000 2.441 302 I HA 0.036 4.206 4.170 0.000 0.000 0.287 302 I C 0.577 176.624 176.117 -0.116 0.000 1.049 302 I CA -0.034 61.215 61.300 -0.086 0.000 1.381 302 I CB 0.942 38.797 38.000 -0.242 0.000 1.409 302 I HN -0.001 nan 8.210 nan 0.000 0.523 303 K N 6.755 127.060 120.400 -0.158 0.000 2.312 303 K HA 0.344 4.664 4.320 0.000 0.000 0.287 303 K C -1.336 175.153 176.600 -0.185 0.000 1.062 303 K CA -0.227 56.022 56.287 -0.063 0.000 0.934 303 K CB 0.481 32.961 32.500 -0.034 0.000 1.027 303 K HN 0.290 nan 8.250 nan 0.000 0.478 304 F N 2.976 122.957 119.950 0.051 0.000 2.443 304 F HA 0.307 4.834 4.527 0.000 0.000 0.335 304 F C 0.410 176.235 175.800 0.042 0.000 1.104 304 F CA -0.800 57.234 58.000 0.057 0.000 1.013 304 F CB 1.485 40.535 39.000 0.083 0.000 1.136 304 F HN 0.490 nan 8.300 nan 0.000 0.470 305 N N 3.999 122.815 118.700 0.194 0.000 2.461 305 N HA 0.445 5.185 4.740 0.000 0.000 0.284 305 N C -3.083 172.498 175.510 0.120 0.000 1.049 305 N CA -2.404 50.721 53.050 0.125 0.000 0.889 305 N CB 1.962 40.489 38.487 0.066 0.000 1.365 305 N HN 0.089 nan 8.380 nan 0.000 0.499 306 P HA 0.267 nan 4.420 nan 0.000 0.271 306 P C -2.542 174.840 177.300 0.137 0.000 1.233 306 P CA -0.729 62.428 63.100 0.096 0.000 0.789 306 P CB 0.063 31.803 31.700 0.066 0.000 0.951 307 P HA 0.098 nan 4.420 nan 0.000 0.272 307 P C -0.404 176.916 177.300 0.033 0.000 1.230 307 P CA -0.006 63.164 63.100 0.117 0.000 0.788 307 P CB 0.292 32.036 31.700 0.075 0.000 0.949 308 L N 1.732 122.919 121.223 -0.060 0.000 2.499 308 L HA 0.058 4.398 4.340 0.000 0.000 0.273 308 L C 0.848 177.664 176.870 -0.091 0.000 1.195 308 L CA -0.106 54.631 54.840 -0.171 0.000 0.882 308 L CB -0.431 41.420 42.059 -0.346 0.000 1.133 308 L HN 0.260 nan 8.230 nan 0.000 0.483 309 L N 5.138 126.315 121.223 -0.077 0.000 2.473 309 L HA 0.037 4.377 4.340 0.000 0.000 0.268 309 L C -1.146 175.697 176.870 -0.046 0.000 1.215 309 L CA -1.161 53.653 54.840 -0.044 0.000 0.823 309 L CB 0.056 42.097 42.059 -0.030 0.000 1.099 309 L HN 0.454 nan 8.230 nan 0.000 0.483 310 P HA -0.164 nan 4.420 nan 0.000 0.216 310 P C 0.987 178.294 177.300 0.013 0.000 1.150 310 P CA 1.448 64.543 63.100 -0.009 0.000 0.843 310 P CB 0.178 31.878 31.700 -0.001 0.000 0.787 311 K N -0.229 120.178 120.400 0.011 0.000 2.057 311 K HA -0.130 4.191 4.320 0.000 0.000 0.206 311 K C 2.197 178.782 176.600 -0.026 0.000 1.050 311 K CA 1.200 57.508 56.287 0.036 0.000 0.935 311 K CB -0.258 32.265 32.500 0.038 0.000 0.715 311 K HN 0.069 nan 8.250 nan 0.000 0.439 312 K N 1.031 121.379 120.400 -0.086 0.000 2.057 312 K HA -0.092 4.228 4.320 0.000 0.000 0.206 312 K C 2.127 178.605 176.600 -0.202 0.000 1.050 312 K CA 1.158 57.338 56.287 -0.180 0.000 0.935 312 K CB -0.080 32.268 32.500 -0.253 0.000 0.715 312 K HN 0.100 nan 8.250 nan 0.000 0.439 313 A N 0.893 123.629 122.820 -0.140 0.000 1.902 313 A HA -0.227 4.093 4.320 0.000 0.000 0.217 313 A C 2.054 179.593 177.584 -0.075 0.000 1.181 313 A CA 1.897 53.867 52.037 -0.113 0.000 0.623 313 A CB -0.935 18.023 19.000 -0.069 0.000 0.818 313 A HN 0.554 nan 8.150 nan 0.000 0.443 314 H N 0.257 119.220 119.070 -0.177 0.000 2.357 314 H HA 0.088 4.644 4.556 0.000 0.000 0.301 314 H C 2.226 177.275 175.328 -0.466 0.000 1.082 314 H CA 1.610 57.541 56.048 -0.195 0.000 1.342 314 H CB -0.603 29.116 29.762 -0.071 0.000 1.389 314 H HN 0.355 nan 8.280 nan 0.000 0.511 315 A N 0.804 123.220 122.820 -0.674 0.000 1.908 315 A HA -0.107 4.214 4.320 0.000 0.000 0.218 315 A C 2.764 179.916 177.584 -0.721 0.000 1.181 315 A CA 1.564 52.815 52.037 -1.311 0.000 0.627 315 A CB -0.945 17.579 19.000 -0.793 0.000 0.818 315 A HN 0.455 nan 8.150 nan 0.000 0.445 316 L N -1.191 119.791 121.223 -0.402 0.000 2.093 316 L HA -0.157 4.183 4.340 0.000 0.000 0.208 316 L C 2.760 179.510 176.870 -0.200 0.000 1.085 316 L CA 1.688 56.355 54.840 -0.288 0.000 0.755 316 L CB -0.440 41.476 42.059 -0.238 0.000 0.904 316 L HN 0.494 nan 8.230 nan 0.000 0.435 317 R N -0.279 120.131 120.500 -0.149 0.000 2.081 317 R HA -0.126 4.214 4.340 0.000 0.000 0.235 317 R C 2.001 178.285 176.300 -0.026 0.000 1.131 317 R CA 1.881 57.951 56.100 -0.050 0.000 0.960 317 R CB -0.004 30.306 30.300 0.018 0.000 0.856 317 R HN 0.172 nan 8.270 nan 0.000 0.436 318 S N -0.420 115.215 115.700 -0.108 0.000 2.502 318 S HA 0.173 4.644 4.470 0.000 0.000 0.215 318 S C 0.027 174.649 174.600 0.038 0.000 1.009 318 S CA -0.338 57.867 58.200 0.009 0.000 0.908 318 S CB 0.869 64.127 63.200 0.096 0.000 0.801 318 S HN 0.039 nan 8.310 nan 0.000 0.505 319 V N 3.533 123.383 119.914 -0.107 0.000 2.557 319 V HA 0.001 4.121 4.120 0.000 0.000 0.301 319 V C 0.290 176.504 176.094 0.200 0.000 1.026 319 V CA 0.256 62.554 62.300 -0.003 0.000 1.137 319 V CB -0.174 31.622 31.823 -0.046 0.000 0.917 319 V HN 0.425 nan 8.190 nan 0.000 0.484 320 H N 4.942 124.085 119.070 0.122 0.000 2.511 320 H HA 0.482 5.038 4.556 0.000 0.000 0.346 320 H C -1.142 174.259 175.328 0.122 0.000 1.128 320 H CA -0.200 55.966 56.048 0.196 0.000 1.342 320 H CB 0.640 30.529 29.762 0.212 0.000 1.470 320 H HN 0.532 nan 8.280 nan 0.000 0.546 321 Y N 2.601 122.659 120.300 -0.404 0.000 2.409 321 Y HA 0.285 4.835 4.550 0.000 0.000 0.343 321 Y C 0.034 175.675 175.900 -0.432 0.000 0.973 321 Y CA -0.992 56.937 58.100 -0.285 0.000 1.064 321 Y CB 1.256 39.636 38.460 -0.134 0.000 1.207 321 Y HN 0.651 nan 8.280 nan 0.000 0.452 322 R N 1.122 121.581 120.500 -0.068 0.000 2.404 322 R HA 0.630 4.970 4.340 0.000 0.000 0.291 322 R C -0.011 176.356 176.300 0.112 0.000 1.025 322 R CA -0.641 55.484 56.100 0.041 0.000 0.991 322 R CB 1.469 31.818 30.300 0.083 0.000 1.053 322 R HN 0.591 nan 8.270 nan 0.000 0.479 323 S N 0.670 116.456 115.700 0.145 0.000 2.589 323 S HA 0.441 4.912 4.470 0.000 0.000 0.265 323 S C -0.141 174.580 174.600 0.201 0.000 1.342 323 S CA 0.296 58.605 58.200 0.182 0.000 1.005 323 S CB 0.586 63.895 63.200 0.182 0.000 0.909 323 S HN 0.813 nan 8.310 nan 0.000 0.555 324 G N 1.612 110.582 108.800 0.283 0.000 2.711 324 G HA2 0.533 4.494 3.960 0.000 0.000 0.288 324 G HA3 0.533 4.494 3.960 0.000 0.000 0.288 324 G C -1.326 173.825 174.900 0.418 0.000 1.451 324 G CA -0.403 44.912 45.100 0.358 0.000 1.186 324 G HN 0.660 nan 8.290 nan 0.000 0.560 325 T N 2.014 116.774 114.554 0.343 0.000 2.879 325 T HA 0.518 4.868 4.350 0.000 0.000 0.290 325 T C -0.403 174.373 174.700 0.127 0.000 0.993 325 T CA -0.548 61.667 62.100 0.191 0.000 0.975 325 T CB 1.686 70.629 68.868 0.126 0.000 0.981 325 T HN 0.403 nan 8.240 nan 0.000 0.439 326 K N 2.920 123.309 120.400 -0.019 0.000 2.345 326 K HA 0.630 4.950 4.320 0.000 0.000 0.255 326 K C -0.935 175.405 176.600 -0.435 0.000 0.934 326 K CA -0.670 55.443 56.287 -0.290 0.000 0.801 326 K CB 2.137 34.397 32.500 -0.400 0.000 1.137 326 K HN 0.478 nan 8.250 nan 0.000 0.424 327 I N 3.670 123.876 120.570 -0.607 0.000 2.362 327 I HA 0.342 4.512 4.170 0.000 0.000 0.289 327 I C -0.960 174.785 176.117 -0.620 0.000 0.994 327 I CA -0.713 60.270 61.300 -0.528 0.000 1.158 327 I CB 0.792 38.449 38.000 -0.571 0.000 1.315 327 I HN 0.379 nan 8.210 nan 0.000 0.451 328 F N 6.519 126.296 119.950 -0.288 0.000 2.458 328 F HA 0.557 5.084 4.527 0.000 0.000 0.336 328 F C -0.227 175.366 175.800 -0.345 0.000 1.114 328 F CA -0.614 57.226 58.000 -0.267 0.000 0.987 328 F CB 1.355 40.240 39.000 -0.192 0.000 1.130 328 F HN 0.093 nan 8.300 nan 0.000 0.458 329 L N 2.974 124.074 121.223 -0.204 0.000 2.322 329 L HA 0.559 4.900 4.340 0.000 0.000 0.281 329 L C -0.320 176.371 176.870 -0.299 0.000 1.014 329 L CA -0.616 54.057 54.840 -0.280 0.000 0.815 329 L CB 1.953 43.872 42.059 -0.233 0.000 1.247 329 L HN 0.529 nan 8.230 nan 0.000 0.421 330 T N 1.650 115.879 114.554 -0.542 0.000 2.749 330 T HA 0.413 4.763 4.350 0.000 0.000 0.287 330 T C -0.497 174.088 174.700 -0.191 0.000 0.970 330 T CA -0.240 61.492 62.100 -0.613 0.000 0.980 330 T CB 0.649 68.784 68.868 -1.222 0.000 0.924 330 T HN 0.542 nan 8.240 nan 0.000 0.456 331 c N 3.013 121.623 118.600 0.017 0.000 2.441 331 c HA 0.465 5.035 4.570 0.000 0.000 0.318 331 c C 1.921 176.100 174.090 0.149 0.000 1.222 331 c CA -0.806 55.650 56.329 0.210 0.000 1.474 331 c CB 1.028 43.769 42.510 0.385 0.000 2.125 331 c HN 1.047 nan 8.230 nan 0.000 0.479 332 T N -1.651 113.001 114.554 0.162 0.000 3.057 332 T HA 0.046 4.397 4.350 0.000 0.000 0.254 332 T C 0.546 175.245 174.700 -0.002 0.000 1.094 332 T CA 0.606 62.766 62.100 0.099 0.000 1.088 332 T CB -0.129 68.814 68.868 0.126 0.000 0.934 332 T HN 0.627 nan 8.240 nan 0.000 0.497 333 T N 2.774 117.296 114.554 -0.053 0.000 2.864 333 T HA 0.340 4.690 4.350 0.000 0.000 0.310 333 T C -0.369 174.072 174.700 -0.432 0.000 1.040 333 T CA -0.732 61.176 62.100 -0.320 0.000 0.977 333 T CB 1.308 69.745 68.868 -0.719 0.000 0.976 333 T HN 0.189 nan 8.240 nan 0.000 0.459 334 K N 3.589 123.592 120.400 -0.661 0.000 2.278 334 K HA 0.126 4.446 4.320 0.000 0.000 0.237 334 K C 0.995 176.720 176.600 -1.459 0.000 1.229 334 K CA -0.246 55.153 56.287 -1.480 0.000 1.155 334 K CB -0.381 31.380 32.500 -1.232 0.000 1.590 334 K HN 0.687 nan 8.250 nan 0.000 0.290 335 F N -0.715 118.706 119.950 -0.882 0.000 2.269 335 F HA -0.154 4.373 4.527 0.000 0.000 0.301 335 F C 1.582 177.232 175.800 -0.250 0.000 1.082 335 F CA 0.170 57.904 58.000 -0.444 0.000 1.360 335 F CB -0.794 38.127 39.000 -0.130 0.000 1.041 335 F HN 0.417 nan 8.300 nan 0.000 0.512 336 W N 1.357 122.248 121.300 -0.681 0.000 2.392 336 W HA 0.038 4.699 4.660 0.000 0.000 0.279 336 W C 1.592 178.010 176.519 -0.168 0.000 1.225 336 W CA 1.012 58.139 57.345 -0.364 0.000 1.233 336 W CB -1.245 27.884 29.460 -0.551 0.000 1.122 336 W HN 0.092 nan 8.180 nan 0.000 0.561 337 E N 0.928 120.822 120.200 -0.510 0.000 2.204 337 E HA -0.191 4.159 4.350 0.000 0.000 0.195 337 E C 1.406 177.934 176.600 -0.119 0.000 0.990 337 E CA 1.413 57.655 56.400 -0.263 0.000 0.821 337 E CB -0.305 29.180 29.700 -0.359 0.000 0.750 337 E HN 0.278 nan 8.360 nan 0.000 0.477 338 D N 0.913 121.260 120.400 -0.087 0.000 2.263 338 D HA -0.122 4.518 4.640 0.000 0.000 0.208 338 D C 0.920 177.271 176.300 0.085 0.000 0.971 338 D CA 0.906 54.912 54.000 0.009 0.000 0.867 338 D CB -0.113 40.715 40.800 0.047 0.000 0.929 338 D HN 0.108 nan 8.370 nan 0.000 0.492 339 D N -0.868 119.616 120.400 0.141 0.000 2.339 339 D HA 0.159 4.799 4.640 0.000 0.000 0.217 339 D C 1.421 177.729 176.300 0.012 0.000 1.050 339 D CA 0.472 54.572 54.000 0.167 0.000 0.856 339 D CB 0.491 41.508 40.800 0.362 0.000 0.922 339 D HN 0.230 nan 8.370 nan 0.000 0.518 340 G N 1.110 109.904 108.800 -0.010 0.000 2.136 340 G HA2 -0.280 3.680 3.960 0.000 0.000 0.242 340 G HA3 -0.280 3.680 3.960 0.000 0.000 0.242 340 G C 0.230 175.095 174.900 -0.058 0.000 0.989 340 G CA -0.218 44.856 45.100 -0.044 0.000 0.682 340 G HN 0.346 nan 8.290 nan 0.000 0.522 341 I N 0.480 121.021 120.570 -0.048 0.000 2.353 341 I HA 0.561 4.731 4.170 0.000 0.000 0.293 341 I C 0.201 176.375 176.117 0.095 0.000 0.992 341 I CA -0.926 60.324 61.300 -0.084 0.000 1.268 341 I CB 1.479 39.297 38.000 -0.304 0.000 1.387 341 I HN 0.243 nan 8.210 nan 0.000 0.478 342 H N 4.894 123.937 119.070 -0.045 0.000 3.018 342 H HA 0.592 5.148 4.556 0.000 0.000 0.334 342 H C -0.112 175.182 175.328 -0.058 0.000 0.983 342 H CA 0.352 56.404 56.048 0.006 0.000 1.363 342 H CB 1.152 30.910 29.762 -0.007 0.000 1.668 342 H HN 0.850 nan 8.280 nan 0.000 0.513 343 G N 2.404 110.880 108.800 -0.540 0.000 2.741 343 G HA2 0.326 4.286 3.960 0.000 0.000 0.222 343 G HA3 0.326 4.286 3.960 0.000 0.000 0.222 343 G C 0.624 175.399 174.900 -0.208 0.000 1.364 343 G CA 0.213 45.041 45.100 -0.453 0.000 0.866 343 G HN 1.951 nan 8.290 nan 0.000 0.555 344 G N -0.838 107.832 108.800 -0.217 0.000 2.601 344 G HA2 0.369 4.329 3.960 0.000 0.000 0.252 344 G HA3 0.369 4.329 3.960 0.000 0.000 0.252 344 G C 0.004 174.855 174.900 -0.082 0.000 1.294 344 G CA 1.626 46.655 45.100 -0.118 0.000 0.912 344 G HN 2.600 nan 8.290 nan 0.000 0.574 345 K N -2.077 118.258 120.400 -0.108 0.000 2.575 345 K HA 0.745 5.065 4.320 0.000 0.000 0.279 345 K C -0.764 175.786 176.600 -0.084 0.000 0.969 345 K CA -0.574 55.555 56.287 -0.262 0.000 0.868 345 K CB 1.445 33.455 32.500 -0.817 0.000 1.457 345 K HN 0.712 nan 8.250 nan 0.000 0.426 346 S N 0.441 116.119 115.700 -0.036 0.000 2.608 346 S HA 0.547 5.017 4.470 0.000 0.000 0.291 346 S C -0.864 173.622 174.600 -0.191 0.000 1.146 346 S CA -0.594 57.580 58.200 -0.044 0.000 1.043 346 S CB 1.661 64.964 63.200 0.172 0.000 1.037 346 S HN 0.551 nan 8.310 nan 0.000 0.520 347 T N 1.738 116.126 114.554 -0.278 0.000 2.824 347 T HA 0.678 5.029 4.350 0.000 0.000 0.282 347 T C -0.409 174.168 174.700 -0.205 0.000 0.993 347 T CA -0.463 61.423 62.100 -0.357 0.000 0.967 347 T CB 1.735 70.418 68.868 -0.308 0.000 0.960 347 T HN 0.559 nan 8.240 nan 0.000 0.441 348 T N 0.597 114.961 114.554 -0.317 0.000 2.843 348 T HA 0.411 4.761 4.350 0.000 0.000 0.302 348 T C -0.514 174.085 174.700 -0.168 0.000 1.232 348 T CA -0.722 61.319 62.100 -0.099 0.000 1.009 348 T CB 1.437 70.307 68.868 0.003 0.000 1.254 348 T HN 0.602 nan 8.240 nan 0.000 0.504 349 D N 1.692 122.057 120.400 -0.057 0.000 2.349 349 D HA 0.190 4.830 4.640 0.000 0.000 0.214 349 D C 0.841 177.085 176.300 -0.092 0.000 1.063 349 D CA -0.083 53.867 54.000 -0.083 0.000 0.847 349 D CB -0.288 40.485 40.800 -0.046 0.000 0.933 349 D HN 0.397 nan 8.370 nan 0.000 0.513 350 L N 0.207 121.401 121.223 -0.049 0.000 2.476 350 L HA 0.161 4.501 4.340 0.000 0.000 0.264 350 L C -1.138 175.630 176.870 -0.170 0.000 1.224 350 L CA -1.486 53.307 54.840 -0.079 0.000 0.821 350 L CB 0.361 42.415 42.059 -0.009 0.000 1.101 350 L HN -0.225 nan 8.230 nan 0.000 0.488 351 P HA -0.093 nan 4.420 nan 0.000 0.220 351 P C 1.435 178.747 177.300 0.020 0.000 1.148 351 P CA 0.894 63.761 63.100 -0.389 0.000 0.803 351 P CB 0.259 31.496 31.700 -0.772 0.000 0.782 352 S N -1.019 114.737 115.700 0.094 0.000 2.383 352 S HA -0.199 4.271 4.470 0.000 0.000 0.229 352 S C 1.234 175.828 174.600 -0.009 0.000 1.030 352 S CA 1.122 59.380 58.200 0.097 0.000 1.002 352 S CB -0.400 62.797 63.200 -0.006 0.000 0.829 352 S HN 0.043 nan 8.310 nan 0.000 0.467 353 R N -1.298 119.109 120.500 -0.156 0.000 1.247 353 R HA -0.207 4.133 4.340 0.000 0.000 0.031 353 R C -0.586 175.205 176.300 -0.848 0.000 0.958 353 R CA 2.049 57.891 56.100 -0.431 0.000 1.979 353 R CB -1.486 28.673 30.300 -0.235 0.000 0.185 353 R HN 0.486 nan 8.270 nan 0.000 0.728 354 F N 0.831 120.730 119.950 -0.084 0.000 2.536 354 F HA 0.521 5.049 4.527 0.000 0.000 0.322 354 F C 0.147 175.834 175.800 -0.189 0.000 1.144 354 F CA -0.883 57.016 58.000 -0.169 0.000 0.924 354 F CB 1.545 40.462 39.000 -0.138 0.000 1.181 354 F HN -0.117 nan 8.300 nan 0.000 0.438 355 I N 4.123 124.559 120.570 -0.223 0.000 2.339 355 I HA 0.250 4.420 4.170 0.000 0.000 0.290 355 I C -0.753 174.947 176.117 -0.694 0.000 0.994 355 I CA -1.088 59.982 61.300 -0.383 0.000 1.191 355 I CB 0.804 38.557 38.000 -0.411 0.000 1.343 355 I HN 0.497 nan 8.210 nan 0.000 0.458 356 Y N 5.892 125.878 120.300 -0.522 0.000 2.330 356 Y HA 0.403 4.953 4.550 0.000 0.000 0.336 356 Y C -0.234 175.185 175.900 -0.803 0.000 1.036 356 Y CA -0.210 57.590 58.100 -0.501 0.000 1.125 356 Y CB 1.247 39.589 38.460 -0.197 0.000 1.194 356 Y HN 0.351 nan 8.280 nan 0.000 0.469 357 Y N 4.207 124.299 120.300 -0.347 0.000 2.387 357 Y HA 0.392 4.942 4.550 0.000 0.000 0.330 357 Y C -2.052 173.522 175.900 -0.544 0.000 1.133 357 Y CA -2.796 54.923 58.100 -0.635 0.000 1.152 357 Y CB 0.798 38.851 38.460 -0.678 0.000 1.215 357 Y HN 0.424 nan 8.280 nan 0.000 0.466 358 P HA 0.034 nan 4.420 nan 0.000 0.271 358 P C -0.445 176.448 177.300 -0.679 0.000 1.218 358 P CA -0.055 62.736 63.100 -0.515 0.000 0.780 358 P CB 1.044 32.450 31.700 -0.490 0.000 0.901 359 N N 0.075 118.377 118.700 -0.663 0.000 2.236 359 N HA 0.015 4.755 4.740 0.000 0.000 0.196 359 N C 0.571 176.043 175.510 -0.063 0.000 1.114 359 N CA 0.220 52.993 53.050 -0.462 0.000 0.859 359 N CB 0.167 38.488 38.487 -0.276 0.000 0.982 359 N HN 0.655 nan 8.380 nan 0.000 0.493 360 H N -0.789 118.285 119.070 0.006 0.000 2.710 360 H HA 0.435 4.991 4.556 0.000 0.000 0.361 360 H C -0.874 174.395 175.328 -0.098 0.000 1.175 360 H CA -0.678 55.353 56.048 -0.029 0.000 1.206 360 H CB 0.907 30.579 29.762 -0.150 0.000 1.750 360 H HN -0.220 nan 8.280 nan 0.000 0.553 361 N N 1.482 120.188 118.700 0.009 0.000 2.524 361 N HA 0.157 4.898 4.740 0.000 0.000 0.261 361 N C -1.021 174.486 175.510 -0.007 0.000 0.998 361 N CA -0.417 52.615 53.050 -0.030 0.000 0.915 361 N CB 0.997 39.486 38.487 0.003 0.000 1.187 361 N HN 0.289 nan 8.380 nan 0.000 0.507 362 F N 0.934 121.016 119.950 0.219 0.000 2.563 362 F HA 0.013 4.540 4.527 0.000 0.000 0.363 362 F C 2.465 178.346 175.800 0.135 0.000 1.123 362 F CA -0.310 57.801 58.000 0.186 0.000 1.307 362 F CB 0.369 39.495 39.000 0.209 0.000 1.115 362 F HN 0.427 nan 8.300 nan 0.000 0.592 363 T N -1.441 113.312 114.554 0.332 0.000 2.833 363 T HA -0.243 4.108 4.350 0.000 0.000 0.269 363 T C 1.420 176.221 174.700 0.168 0.000 1.054 363 T CA 1.377 63.594 62.100 0.196 0.000 1.135 363 T CB -0.507 68.455 68.868 0.156 0.000 0.869 363 T HN 0.596 nan 8.240 nan 0.000 0.466 364 N N 1.799 120.618 118.700 0.197 0.000 2.521 364 N HA 0.185 4.925 4.740 0.000 0.000 0.188 364 N C 1.549 177.147 175.510 0.147 0.000 1.146 364 N CA 0.849 53.991 53.050 0.153 0.000 0.893 364 N CB -0.681 37.896 38.487 0.149 0.000 0.975 364 N HN 0.739 nan 8.380 nan 0.000 0.451 365 G N -1.162 107.740 108.800 0.169 0.000 2.175 365 G HA2 -0.263 3.697 3.960 0.000 0.000 0.244 365 G HA3 -0.263 3.697 3.960 0.000 0.000 0.244 365 G C -0.176 174.812 174.900 0.146 0.000 0.982 365 G CA 0.203 45.374 45.100 0.119 0.000 0.641 365 G HN 0.328 nan 8.290 nan 0.000 0.527 366 V N 0.872 120.930 119.914 0.240 0.000 2.811 366 V HA 0.575 4.696 4.120 0.000 0.000 0.302 366 V C 1.130 177.439 176.094 0.359 0.000 1.063 366 V CA 0.851 63.296 62.300 0.243 0.000 1.088 366 V CB 1.509 33.458 31.823 0.211 0.000 0.982 366 V HN 0.965 nan 8.190 nan 0.000 0.485 367 G N 2.829 111.808 108.800 0.300 0.000 2.591 367 G HA2 0.605 4.565 3.960 0.000 0.000 0.306 367 G HA3 0.605 4.565 3.960 0.000 0.000 0.306 367 G C -1.490 173.604 174.900 0.324 0.000 1.334 367 G CA -0.441 44.920 45.100 0.436 0.000 0.981 367 G HN 0.548 nan 8.290 nan 0.000 0.491 368 V N 3.002 123.041 119.914 0.208 0.000 2.384 368 V HA 0.509 4.629 4.120 0.000 0.000 0.287 368 V C 0.281 176.301 176.094 -0.125 0.000 1.020 368 V CA -0.597 61.723 62.300 0.033 0.000 0.850 368 V CB 0.918 32.820 31.823 0.132 0.000 0.987 368 V HN 0.739 nan 8.190 nan 0.000 0.436 369 I N 3.076 123.491 120.570 -0.257 0.000 2.648 369 I HA 0.761 4.931 4.170 0.000 0.000 0.304 369 I C -0.802 175.104 176.117 -0.352 0.000 1.009 369 I CA -0.836 60.184 61.300 -0.468 0.000 1.114 369 I CB 2.062 39.623 38.000 -0.731 0.000 1.293 369 I HN 0.379 nan 8.210 nan 0.000 0.449 370 I N 3.589 123.916 120.570 -0.404 0.000 2.499 370 I HA 0.581 4.752 4.170 0.000 0.000 0.288 370 I C -0.163 175.758 176.117 -0.328 0.000 1.048 370 I CA -0.774 60.246 61.300 -0.466 0.000 1.062 370 I CB 2.046 39.770 38.000 -0.461 0.000 1.238 370 I HN 0.783 nan 8.210 nan 0.000 0.426 371 A N 5.816 128.423 122.820 -0.356 0.000 2.260 371 A HA 0.609 4.929 4.320 0.000 0.000 0.308 371 A C -1.428 176.101 177.584 -0.093 0.000 1.254 371 A CA -0.190 51.729 52.037 -0.197 0.000 0.874 371 A CB 0.419 19.266 19.000 -0.256 0.000 1.153 371 A HN 0.588 nan 8.150 nan 0.000 0.527 372 Y N 2.076 122.349 120.300 -0.044 0.000 2.329 372 Y HA 0.603 5.153 4.550 0.000 0.000 0.328 372 Y C 0.061 176.042 175.900 0.134 0.000 0.992 372 Y CA -1.163 56.935 58.100 -0.003 0.000 1.151 372 Y CB 1.376 39.841 38.460 0.008 0.000 1.150 372 Y HN 0.821 nan 8.280 nan 0.000 0.450 373 G N 6.064 114.940 108.800 0.126 0.000 2.533 373 G HA2 0.678 4.638 3.960 0.000 0.000 0.304 373 G HA3 0.678 4.638 3.960 0.000 0.000 0.304 373 G C -1.386 173.480 174.900 -0.055 0.000 1.263 373 G CA -0.997 44.116 45.100 0.021 0.000 0.964 373 G HN 0.828 nan 8.290 nan 0.000 0.479 374 I N -1.500 119.016 120.570 -0.091 0.000 3.002 374 I HA 0.893 5.063 4.170 0.000 0.000 0.310 374 I C 0.918 177.073 176.117 0.063 0.000 1.087 374 I CA -0.389 60.894 61.300 -0.028 0.000 1.017 374 I CB 1.864 39.771 38.000 -0.155 0.000 1.226 374 I HN 1.311 nan 8.210 nan 0.000 0.443 375 G N 2.762 111.630 108.800 0.113 0.000 2.596 375 G HA2 -0.310 3.650 3.960 0.000 0.000 0.295 375 G HA3 -0.310 3.650 3.960 0.000 0.000 0.295 375 G C 0.345 175.362 174.900 0.195 0.000 1.240 375 G CA 0.889 46.099 45.100 0.184 0.000 0.985 375 G HN 0.836 nan 8.290 nan 0.000 0.555 376 D N 0.815 121.341 120.400 0.210 0.000 2.263 376 D HA 0.012 4.652 4.640 0.000 0.000 0.208 376 D C 2.026 178.427 176.300 0.169 0.000 0.971 376 D CA 1.280 55.390 54.000 0.184 0.000 0.867 376 D CB -0.256 40.650 40.800 0.175 0.000 0.929 376 D HN 0.401 nan 8.370 nan 0.000 0.492 377 D N 0.246 120.733 120.400 0.146 0.000 2.117 377 D HA -0.072 4.568 4.640 0.000 0.000 0.198 377 D C 2.025 178.483 176.300 0.263 0.000 0.982 377 D CA 1.063 55.146 54.000 0.139 0.000 0.828 377 D CB -0.144 40.721 40.800 0.109 0.000 0.967 377 D HN 0.139 nan 8.370 nan 0.000 0.464 378 A N 1.295 124.270 122.820 0.258 0.000 1.898 378 A HA -0.170 4.150 4.320 0.000 0.000 0.216 378 A C 1.934 179.718 177.584 0.333 0.000 1.181 378 A CA 1.188 53.428 52.037 0.338 0.000 0.620 378 A CB -0.436 18.714 19.000 0.251 0.000 0.819 378 A HN 0.113 nan 8.150 nan 0.000 0.442 379 N N -0.871 117.970 118.700 0.235 0.000 2.289 379 N HA -0.144 4.596 4.740 0.000 0.000 0.184 379 N C 1.304 176.890 175.510 0.127 0.000 1.016 379 N CA 1.151 54.305 53.050 0.173 0.000 0.872 379 N CB -0.626 37.946 38.487 0.142 0.000 0.973 379 N HN 0.542 nan 8.380 nan 0.000 0.433 380 F N 0.984 120.915 119.950 -0.031 0.000 2.087 380 F HA -0.207 4.320 4.527 0.000 0.000 0.299 380 F C 1.558 177.203 175.800 -0.259 0.000 1.100 380 F CA 1.545 59.413 58.000 -0.219 0.000 1.226 380 F CB -0.414 38.328 39.000 -0.430 0.000 0.983 380 F HN -0.072 nan 8.300 nan 0.000 0.479 381 F N -0.212 119.780 119.950 0.070 0.000 2.780 381 F HA 0.004 4.532 4.527 0.000 0.000 0.299 381 F C 2.379 178.149 175.800 -0.050 0.000 1.146 381 F CA 0.630 58.618 58.000 -0.020 0.000 1.428 381 F CB -0.755 38.281 39.000 0.059 0.000 1.115 381 F HN 0.055 nan 8.300 nan 0.000 0.583 382 Q N 0.927 120.799 119.800 0.120 0.000 2.096 382 Q HA -0.209 4.132 4.340 0.000 0.000 0.204 382 Q C 2.146 178.169 176.000 0.038 0.000 0.982 382 Q CA 1.799 57.654 55.803 0.086 0.000 0.850 382 Q CB -0.134 28.646 28.738 0.070 0.000 0.901 382 Q HN 0.391 nan 8.270 nan 0.000 0.422 383 A N -0.343 122.468 122.820 -0.015 0.000 2.275 383 A HA 0.227 4.547 4.320 0.000 0.000 0.212 383 A C 0.422 177.996 177.584 -0.018 0.000 1.201 383 A CA -0.177 51.846 52.037 -0.024 0.000 0.843 383 A CB 0.144 19.113 19.000 -0.053 0.000 0.873 383 A HN 0.273 nan 8.150 nan 0.000 0.492 384 L N 1.520 122.740 121.223 -0.006 0.000 2.334 384 L HA 0.298 4.639 4.340 0.000 0.000 0.277 384 L C -0.073 176.834 176.870 0.062 0.000 1.075 384 L CA -1.022 53.827 54.840 0.015 0.000 0.804 384 L CB 1.042 43.115 42.059 0.024 0.000 1.174 384 L HN 0.389 nan 8.230 nan 0.000 0.438 385 D N 0.787 121.229 120.400 0.070 0.000 2.384 385 D HA -0.069 4.571 4.640 0.000 0.000 0.244 385 D C 0.910 177.301 176.300 0.152 0.000 1.251 385 D CA -0.230 53.837 54.000 0.112 0.000 0.961 385 D CB 0.563 41.427 40.800 0.107 0.000 1.116 385 D HN 0.406 nan 8.370 nan 0.000 0.484 386 F N 0.233 120.205 119.950 0.038 0.000 2.065 386 F HA -0.198 4.329 4.527 0.000 0.000 0.298 386 F C 2.177 178.013 175.800 0.060 0.000 1.112 386 F CA 1.905 59.927 58.000 0.037 0.000 1.212 386 F CB -0.009 39.012 39.000 0.035 0.000 0.975 386 F HN 0.253 nan 8.300 nan 0.000 0.476 387 K N -0.334 120.254 120.400 0.312 0.000 2.148 387 K HA -0.156 4.164 4.320 0.000 0.000 0.204 387 K C 1.648 178.331 176.600 0.138 0.000 1.050 387 K CA 1.440 57.866 56.287 0.232 0.000 0.942 387 K CB -0.253 32.376 32.500 0.215 0.000 0.724 387 K HN 0.291 nan 8.250 nan 0.000 0.446 388 D N 0.478 120.947 120.400 0.115 0.000 2.149 388 D HA -0.106 4.535 4.640 0.000 0.000 0.201 388 D C 1.930 178.304 176.300 0.122 0.000 0.972 388 D CA 0.791 54.854 54.000 0.104 0.000 0.835 388 D CB -0.377 40.471 40.800 0.079 0.000 0.966 388 D HN 0.171 nan 8.370 nan 0.000 0.476 389 C N 1.176 120.529 119.300 0.089 0.000 2.432 389 C HA -0.036 4.424 4.460 0.000 0.000 0.277 389 C C 2.929 177.902 174.990 -0.028 0.000 1.249 389 C CA 0.848 59.927 59.018 0.102 0.000 1.725 389 C CB -0.968 26.709 27.740 -0.105 0.000 2.028 389 C HN 0.366 nan 8.230 nan 0.000 0.477 390 A N 0.349 123.092 122.820 -0.128 0.000 1.933 390 A HA -0.244 4.076 4.320 0.000 0.000 0.218 390 A C 1.810 179.436 177.584 0.069 0.000 1.175 390 A CA 2.330 54.277 52.037 -0.150 0.000 0.628 390 A CB -0.757 18.211 19.000 -0.053 0.000 0.814 390 A HN 0.607 nan 8.150 nan 0.000 0.444 391 D N -0.203 120.311 120.400 0.190 0.000 2.123 391 D HA -0.136 4.504 4.640 0.000 0.000 0.196 391 D C 1.686 178.107 176.300 0.201 0.000 0.992 391 D CA 1.458 55.610 54.000 0.252 0.000 0.833 391 D CB -0.221 40.679 40.800 0.167 0.000 0.954 391 D HN 0.494 nan 8.370 nan 0.000 0.455 392 I N -0.410 120.268 120.570 0.180 0.000 2.163 392 I HA -0.252 3.918 4.170 0.000 0.000 0.243 392 I C 2.360 178.553 176.117 0.127 0.000 1.085 392 I CA 0.620 62.038 61.300 0.196 0.000 1.347 392 I CB -0.186 38.036 38.000 0.371 0.000 1.044 392 I HN 0.005 nan 8.210 nan 0.000 0.408 393 V N 0.313 120.250 119.914 0.038 0.000 2.358 393 V HA -0.265 3.855 4.120 0.000 0.000 0.246 393 V C 2.260 178.294 176.094 -0.100 0.000 1.047 393 V CA 1.816 64.055 62.300 -0.102 0.000 1.035 393 V CB -0.696 30.950 31.823 -0.297 0.000 0.658 393 V HN 0.218 nan 8.190 nan 0.000 0.452 394 F N 0.974 120.917 119.950 -0.012 0.000 2.134 394 F HA -0.142 4.386 4.527 0.000 0.000 0.299 394 F C 2.385 178.157 175.800 -0.046 0.000 1.097 394 F CA 1.555 59.537 58.000 -0.030 0.000 1.264 394 F CB -0.830 38.151 39.000 -0.033 0.000 1.001 394 F HN 0.201 nan 8.300 nan 0.000 0.479 395 N N 0.381 119.177 118.700 0.159 0.000 2.084 395 N HA -0.161 4.579 4.740 0.000 0.000 0.190 395 N C 1.451 176.952 175.510 -0.014 0.000 1.030 395 N CA 1.650 54.733 53.050 0.056 0.000 0.849 395 N CB -0.609 37.909 38.487 0.053 0.000 1.012 395 N HN 0.236 nan 8.380 nan 0.000 0.423 396 D N 0.599 120.990 120.400 -0.015 0.000 2.144 396 D HA -0.035 4.605 4.640 0.000 0.000 0.200 396 D C 2.171 178.413 176.300 -0.097 0.000 0.978 396 D CA 0.385 54.337 54.000 -0.081 0.000 0.833 396 D CB -0.321 40.452 40.800 -0.047 0.000 0.961 396 D HN 0.223 nan 8.370 nan 0.000 0.470 397 L N 0.429 121.651 121.223 -0.003 0.000 2.093 397 L HA -0.141 4.199 4.340 0.000 0.000 0.208 397 L C 2.505 179.399 176.870 0.040 0.000 1.085 397 L CA 0.869 55.771 54.840 0.103 0.000 0.755 397 L CB -0.376 41.779 42.059 0.161 0.000 0.904 397 L HN 0.012 nan 8.230 nan 0.000 0.435 398 S N 0.097 115.776 115.700 -0.034 0.000 2.383 398 S HA -0.156 4.314 4.470 0.000 0.000 0.229 398 S C 1.951 176.447 174.600 -0.174 0.000 1.030 398 S CA 1.252 59.398 58.200 -0.090 0.000 1.002 398 S CB -0.127 63.025 63.200 -0.080 0.000 0.829 398 S HN 0.310 nan 8.310 nan 0.000 0.467 399 L N 0.498 121.549 121.223 -0.287 0.000 2.068 399 L HA 0.052 4.393 4.340 0.000 0.000 0.204 399 L C 2.429 178.866 176.870 -0.720 0.000 1.076 399 L CA 1.053 55.566 54.840 -0.546 0.000 0.753 399 L CB -0.507 41.073 42.059 -0.797 0.000 0.910 399 L HN 0.309 nan 8.230 nan 0.000 0.439 400 I N -0.772 119.423 120.570 -0.624 0.000 2.208 400 I HA -0.316 3.854 4.170 0.000 0.000 0.245 400 I C 2.168 177.836 176.117 -0.749 0.000 1.097 400 I CA 1.334 62.289 61.300 -0.574 0.000 1.363 400 I CB -0.325 37.518 38.000 -0.260 0.000 1.051 400 I HN 0.347 nan 8.210 nan 0.000 0.413 401 H N 0.441 119.318 119.070 -0.321 0.000 2.586 401 H HA 0.171 4.728 4.556 0.000 0.000 0.273 401 H C 0.161 175.362 175.328 -0.212 0.000 0.997 401 H CA 0.039 55.965 56.048 -0.204 0.000 1.177 401 H CB 0.386 30.267 29.762 0.200 0.000 1.471 401 H HN 0.364 nan 8.280 nan 0.000 0.538 402 Q N 0.820 120.500 119.800 -0.201 0.000 2.443 402 Q HA -0.179 4.161 4.340 0.000 0.000 0.337 402 Q C -0.945 175.022 176.000 -0.056 0.000 1.401 402 Q CA 0.354 56.070 55.803 -0.145 0.000 0.943 402 Q CB -1.181 27.459 28.738 -0.163 0.000 1.177 402 Q HN 0.427 nan 8.270 nan 0.000 0.394 403 L N -0.099 121.090 121.223 -0.055 0.000 2.388 403 L HA 0.599 4.939 4.340 0.000 0.000 0.264 403 L C -2.227 174.579 176.870 -0.106 0.000 0.998 403 L CA -2.447 52.358 54.840 -0.058 0.000 0.817 403 L CB 1.837 43.853 42.059 -0.072 0.000 1.338 403 L HN -0.063 nan 8.230 nan 0.000 0.414 404 P HA 0.025 nan 4.420 nan 0.000 0.268 404 P C 0.169 177.359 177.300 -0.184 0.000 1.204 404 P CA -0.130 62.891 63.100 -0.133 0.000 0.768 404 P CB 0.748 32.369 31.700 -0.131 0.000 0.842 405 K N 3.605 123.912 120.400 -0.155 0.000 2.044 405 K HA -0.245 4.075 4.320 0.000 0.000 0.210 405 K C 1.440 177.876 176.600 -0.274 0.000 1.049 405 K CA 1.831 58.016 56.287 -0.169 0.000 0.927 405 K CB -0.105 32.321 32.500 -0.123 0.000 0.713 405 K HN 0.265 nan 8.250 nan 0.000 0.443 406 K N 0.300 120.547 120.400 -0.255 0.000 2.113 406 K HA -0.170 4.150 4.320 0.000 0.000 0.208 406 K C 1.729 178.099 176.600 -0.383 0.000 1.047 406 K CA 1.859 57.974 56.287 -0.286 0.000 0.928 406 K CB -0.075 32.300 32.500 -0.208 0.000 0.716 406 K HN 0.252 nan 8.250 nan 0.000 0.446 407 D N 0.721 120.850 120.400 -0.451 0.000 2.097 407 D HA -0.104 4.536 4.640 0.000 0.000 0.197 407 D C 1.839 177.435 176.300 -1.175 0.000 0.984 407 D CA 1.011 54.531 54.000 -0.800 0.000 0.826 407 D CB -0.190 40.191 40.800 -0.700 0.000 0.973 407 D HN 0.163 nan 8.370 nan 0.000 0.460 408 I N 0.757 120.897 120.570 -0.717 0.000 2.264 408 I HA -0.276 3.894 4.170 0.000 0.000 0.248 408 I C 2.185 178.209 176.117 -0.156 0.000 1.111 408 I CA 1.136 62.194 61.300 -0.404 0.000 1.382 408 I CB -0.341 37.554 38.000 -0.173 0.000 1.060 408 I HN -0.008 nan 8.210 nan 0.000 0.418 409 Q N -0.291 119.260 119.800 -0.416 0.000 2.369 409 Q HA -0.136 4.205 4.340 0.000 0.000 0.206 409 Q C 2.320 178.192 176.000 -0.214 0.000 0.963 409 Q CA 1.325 56.803 55.803 -0.540 0.000 0.894 409 Q CB -0.016 28.274 28.738 -0.747 0.000 0.965 409 Q HN 0.419 nan 8.270 nan 0.000 0.475 410 S N -0.473 115.084 115.700 -0.239 0.000 2.404 410 S HA -0.025 4.445 4.470 0.000 0.000 0.223 410 S C 1.448 176.131 174.600 0.138 0.000 1.040 410 S CA 0.252 58.400 58.200 -0.086 0.000 0.957 410 S CB 0.026 63.138 63.200 -0.146 0.000 0.826 410 S HN 0.266 nan 8.310 nan 0.000 0.491 411 F N 1.964 121.964 119.950 0.085 0.000 2.216 411 F HA 0.186 4.713 4.527 0.000 0.000 0.300 411 F C 1.364 177.305 175.800 0.235 0.000 1.085 411 F CA -0.743 57.348 58.000 0.152 0.000 1.326 411 F CB -1.163 37.950 39.000 0.189 0.000 1.027 411 F HN 0.229 nan 8.300 nan 0.000 0.497 412 c N -1.656 117.225 118.600 0.468 0.000 2.994 412 c HA 0.668 5.238 4.570 0.000 0.000 0.304 412 c C -0.789 173.612 174.090 0.518 0.000 1.273 412 c CA -1.101 55.501 56.329 0.455 0.000 1.537 412 c CB 1.344 44.148 42.510 0.490 0.000 2.001 412 c HN 0.357 nan 8.230 nan 0.000 0.471 413 Y N -0.126 120.341 120.300 0.278 0.000 2.562 413 Y HA 0.764 5.314 4.550 0.000 0.000 0.345 413 Y C -3.127 172.893 175.900 0.200 0.000 1.045 413 Y CA -3.133 55.152 58.100 0.308 0.000 1.028 413 Y CB 0.886 39.475 38.460 0.215 0.000 1.297 413 Y HN 0.457 nan 8.280 nan 0.000 0.463 414 P HA 0.124 nan 4.420 nan 0.000 0.281 414 P C 0.067 177.456 177.300 0.149 0.000 1.286 414 P CA 0.004 63.099 63.100 -0.008 0.000 0.772 414 P CB 1.612 33.312 31.700 -0.001 0.000 0.862 415 S N 2.984 118.607 115.700 -0.128 0.000 2.499 415 S HA 0.197 4.667 4.470 0.000 0.000 0.225 415 S C 0.611 175.299 174.600 0.147 0.000 1.050 415 S CA 0.071 58.256 58.200 -0.026 0.000 0.928 415 S CB 0.078 63.036 63.200 -0.404 0.000 0.803 415 S HN 0.395 nan 8.310 nan 0.000 0.506 416 V N 0.640 120.624 119.914 0.118 0.000 3.000 416 V HA 0.592 4.712 4.120 0.000 0.000 0.300 416 V C -2.294 173.900 176.094 0.167 0.000 1.251 416 V CA -1.052 61.286 62.300 0.062 0.000 0.972 416 V CB 2.049 33.597 31.823 -0.459 0.000 1.065 416 V HN 0.450 nan 8.190 nan 0.000 0.431 417 I N 5.017 125.685 120.570 0.163 0.000 2.447 417 I HA 0.511 4.681 4.170 0.000 0.000 0.287 417 I C -1.052 175.066 176.117 0.000 0.000 1.023 417 I CA -0.625 60.672 61.300 -0.005 0.000 1.083 417 I CB 2.034 39.899 38.000 -0.225 0.000 1.245 417 I HN 0.669 nan 8.210 nan 0.000 0.434 418 Q N 6.570 126.354 119.800 -0.027 0.000 2.394 418 Q HA 0.345 4.685 4.340 0.000 0.000 0.259 418 Q C -1.292 174.559 176.000 -0.249 0.000 1.021 418 Q CA -0.399 55.274 55.803 -0.218 0.000 0.805 418 Q CB 1.130 29.713 28.738 -0.258 0.000 1.226 418 Q HN 0.381 nan 8.270 nan 0.000 0.476 419 K N 3.764 124.025 120.400 -0.231 0.000 2.300 419 K HA 0.143 4.464 4.320 0.000 0.000 0.264 419 K C -0.161 176.374 176.600 -0.108 0.000 1.083 419 K CA -0.217 56.015 56.287 -0.091 0.000 0.958 419 K CB 0.517 33.008 32.500 -0.015 0.000 1.318 419 K HN 0.715 nan 8.250 nan 0.000 0.448 420 W N 1.025 122.370 121.300 0.076 0.000 2.392 420 W HA -0.213 4.447 4.660 0.000 0.000 0.279 420 W C 2.338 178.884 176.519 0.045 0.000 1.225 420 W CA 1.223 58.608 57.345 0.066 0.000 1.233 420 W CB 0.043 29.551 29.460 0.079 0.000 1.122 420 W HN 0.549 nan 8.180 nan 0.000 0.561 421 S N -0.077 115.768 115.700 0.242 0.000 2.469 421 S HA -0.110 4.360 4.470 0.000 0.000 0.238 421 S C 1.381 176.027 174.600 0.077 0.000 0.998 421 S CA 0.943 59.228 58.200 0.142 0.000 0.957 421 S CB -0.567 62.708 63.200 0.125 0.000 0.764 421 S HN 0.359 nan 8.310 nan 0.000 0.514 422 L N 0.746 122.001 121.223 0.054 0.000 2.693 422 L HA 0.367 4.708 4.340 0.000 0.000 0.235 422 L C 0.290 177.147 176.870 -0.021 0.000 1.127 422 L CA -0.245 54.599 54.840 0.005 0.000 0.914 422 L CB -0.186 41.868 42.059 -0.008 0.000 1.193 422 L HN 0.233 nan 8.230 nan 0.000 0.502 423 D N 1.453 121.865 120.400 0.020 0.000 2.371 423 D HA -0.035 4.605 4.640 0.000 0.000 0.256 423 D C 1.501 177.790 176.300 -0.018 0.000 1.193 423 D CA -0.010 54.003 54.000 0.021 0.000 0.881 423 D CB 0.969 41.903 40.800 0.223 0.000 1.143 423 D HN 0.160 nan 8.370 nan 0.000 0.473 424 K N 2.633 122.939 120.400 -0.156 0.000 2.362 424 K HA -0.196 4.124 4.320 0.000 0.000 0.200 424 K C 0.483 176.863 176.600 -0.367 0.000 1.046 424 K CA 1.171 57.278 56.287 -0.300 0.000 0.952 424 K CB -0.079 32.148 32.500 -0.455 0.000 0.753 424 K HN 0.482 nan 8.250 nan 0.000 0.466 425 Y N 0.673 121.013 120.300 0.068 0.000 2.396 425 Y HA 0.296 4.846 4.550 0.000 0.000 0.292 425 Y C 2.707 178.643 175.900 0.059 0.000 1.128 425 Y CA 0.304 58.444 58.100 0.067 0.000 1.194 425 Y CB -0.396 38.114 38.460 0.084 0.000 1.124 425 Y HN 0.128 nan 8.280 nan 0.000 0.543 426 A N 0.089 123.046 122.820 0.229 0.000 1.897 426 A HA -0.101 4.220 4.320 0.000 0.000 0.215 426 A C 1.504 179.076 177.584 -0.020 0.000 1.181 426 A CA 1.771 53.888 52.037 0.133 0.000 0.620 426 A CB -0.677 18.454 19.000 0.218 0.000 0.821 426 A HN 0.494 nan 8.150 nan 0.000 0.443 427 M N -2.998 116.600 119.600 -0.003 0.000 2.856 427 M HA -0.195 4.285 4.480 0.000 0.000 0.189 427 M C 0.388 176.592 176.300 -0.160 0.000 0.612 427 M CA 0.704 55.956 55.300 -0.080 0.000 0.673 427 M CB -2.242 30.295 32.600 -0.106 0.000 2.440 427 M HN 0.994 nan 8.290 nan 0.000 0.437 428 G N -1.737 106.997 108.800 -0.110 0.000 2.338 428 G HA2 0.526 4.487 3.960 0.000 0.000 0.295 428 G HA3 0.526 4.487 3.960 0.000 0.000 0.295 428 G C -0.051 174.915 174.900 0.109 0.000 1.461 428 G CA -0.301 44.730 45.100 -0.116 0.000 0.817 428 G HN 0.300 nan 8.290 nan 0.000 0.556 429 G N -0.908 108.034 108.800 0.237 0.000 2.682 429 G HA2 0.467 4.427 3.960 0.000 0.000 0.221 429 G HA3 0.467 4.427 3.960 0.000 0.000 0.221 429 G C 0.215 175.217 174.900 0.171 0.000 1.386 429 G CA 0.265 45.501 45.100 0.227 0.000 0.909 429 G HN 0.716 nan 8.290 nan 0.000 0.558 430 I N 0.936 121.595 120.570 0.150 0.000 2.466 430 I HA 0.256 4.426 4.170 0.000 0.000 0.289 430 I C -0.447 175.553 176.117 -0.194 0.000 1.026 430 I CA -0.584 60.715 61.300 -0.001 0.000 1.078 430 I CB 2.429 40.393 38.000 -0.060 0.000 1.249 430 I HN -0.030 nan 8.210 nan 0.000 0.429 431 T N 4.165 118.410 114.554 -0.515 0.000 2.866 431 T HA 0.088 4.438 4.350 0.000 0.000 0.293 431 T C -0.008 174.365 174.700 -0.544 0.000 1.005 431 T CA 0.452 61.967 62.100 -0.975 0.000 1.162 431 T CB -0.185 68.110 68.868 -0.955 0.000 0.968 431 T HN 0.597 nan 8.240 nan 0.000 0.530 432 T N 4.764 119.122 114.554 -0.328 0.000 3.078 432 T HA 0.315 4.665 4.350 0.000 0.000 0.328 432 T C -0.552 174.309 174.700 0.269 0.000 0.987 432 T CA -0.640 61.466 62.100 0.010 0.000 1.049 432 T CB 0.143 69.074 68.868 0.105 0.000 1.011 432 T HN 0.286 nan 8.240 nan 0.000 0.463 433 F N 3.924 123.846 119.950 -0.047 0.000 2.504 433 F HA 0.298 4.825 4.527 0.000 0.000 0.369 433 F C 1.778 177.620 175.800 0.070 0.000 1.082 433 F CA -1.030 56.920 58.000 -0.084 0.000 1.216 433 F CB 0.270 38.973 39.000 -0.496 0.000 1.108 433 F HN 0.485 nan 8.300 nan 0.000 0.554 434 T N 2.190 116.889 114.554 0.241 0.000 2.788 434 T HA 0.380 4.730 4.350 0.000 0.000 0.280 434 T C -2.633 172.175 174.700 0.180 0.000 0.984 434 T CA -2.123 60.089 62.100 0.186 0.000 0.972 434 T CB 0.795 69.738 68.868 0.125 0.000 1.039 434 T HN 0.164 nan 8.240 nan 0.000 0.530 435 P HA 0.075 nan 4.420 nan 0.000 0.265 435 P C -0.264 177.145 177.300 0.181 0.000 1.187 435 P CA 0.367 63.565 63.100 0.165 0.000 0.766 435 P CB -0.216 31.596 31.700 0.188 0.000 0.820 436 Y N -0.787 119.464 120.300 -0.081 0.000 4.897 436 Y HA -0.323 4.227 4.550 0.000 0.000 0.263 436 Y C 1.879 177.516 175.900 -0.438 0.000 0.945 436 Y CA 1.393 59.287 58.100 -0.343 0.000 1.858 436 Y CB -2.224 35.930 38.460 -0.509 0.000 1.296 436 Y HN 0.454 nan 8.280 nan 0.000 0.490 437 Q N -0.711 118.972 119.800 -0.195 0.000 2.167 437 Q HA -0.111 4.230 4.340 0.000 0.000 0.202 437 Q C 1.594 177.350 176.000 -0.406 0.000 0.970 437 Q CA 1.622 57.121 55.803 -0.506 0.000 0.855 437 Q CB -0.274 28.095 28.738 -0.614 0.000 0.911 437 Q HN 0.574 nan 8.270 nan 0.000 0.438 438 F N 1.808 121.812 119.950 0.091 0.000 2.102 438 F HA -0.238 4.289 4.527 0.000 0.000 0.298 438 F C 2.689 178.556 175.800 0.113 0.000 1.105 438 F CA 1.772 59.957 58.000 0.309 0.000 1.239 438 F CB -0.342 38.837 39.000 0.299 0.000 0.991 438 F HN 0.179 nan 8.300 nan 0.000 0.474 439 Q N -1.068 118.830 119.800 0.165 0.000 2.187 439 Q HA -0.150 4.190 4.340 0.000 0.000 0.199 439 Q C 1.498 177.572 176.000 0.123 0.000 0.957 439 Q CA 1.471 57.330 55.803 0.094 0.000 0.857 439 Q CB -0.546 28.192 28.738 -0.000 0.000 0.929 439 Q HN 0.394 nan 8.270 nan 0.000 0.453 440 H N -0.944 118.049 119.070 -0.128 0.000 2.465 440 H HA 0.120 4.676 4.556 0.000 0.000 0.289 440 H C 0.774 176.031 175.328 -0.118 0.000 1.022 440 H CA 0.525 56.411 56.048 -0.270 0.000 1.340 440 H CB 0.270 29.628 29.762 -0.675 0.000 1.437 440 H HN 0.269 nan 8.280 nan 0.000 0.539 441 F N -0.509 119.452 119.950 0.018 0.000 2.724 441 F HA 0.202 4.729 4.527 0.000 0.000 0.306 441 F C 2.266 178.080 175.800 0.024 0.000 1.100 441 F CA -0.143 57.808 58.000 -0.082 0.000 1.255 441 F CB -0.159 38.657 39.000 -0.307 0.000 1.072 441 F HN -0.090 nan 8.300 nan 0.000 0.589 442 S N 0.459 116.340 115.700 0.301 0.000 2.353 442 S HA -0.193 4.277 4.470 0.000 0.000 0.222 442 S C 1.592 176.328 174.600 0.227 0.000 1.035 442 S CA 1.917 60.317 58.200 0.334 0.000 1.025 442 S CB -0.243 63.180 63.200 0.372 0.000 0.902 442 S HN 0.292 nan 8.310 nan 0.000 0.440 443 D N 1.062 121.574 120.400 0.186 0.000 2.097 443 D HA -0.004 4.636 4.640 0.000 0.000 0.197 443 D C -0.668 175.691 176.300 0.097 0.000 0.984 443 D CA 0.999 55.078 54.000 0.131 0.000 0.826 443 D CB -1.804 39.064 40.800 0.113 0.000 0.973 443 D HN 0.282 nan 8.370 nan 0.000 0.460 444 P HA -0.096 nan 4.420 nan 0.000 0.216 444 P C 1.659 178.945 177.300 -0.023 0.000 1.150 444 P CA 0.878 63.997 63.100 0.031 0.000 0.843 444 P CB 0.004 31.736 31.700 0.053 0.000 0.787 445 L N -1.326 119.924 121.223 0.044 0.000 2.095 445 L HA -0.083 4.257 4.340 0.000 0.000 0.204 445 L C 2.446 179.330 176.870 0.023 0.000 1.080 445 L CA 1.993 56.869 54.840 0.061 0.000 0.759 445 L CB -1.567 40.628 42.059 0.226 0.000 0.914 445 L HN 0.101 nan 8.230 nan 0.000 0.439 446 T N -2.074 112.517 114.554 0.063 0.000 3.055 446 T HA 0.150 4.500 4.350 0.000 0.000 0.265 446 T C 1.019 175.778 174.700 0.098 0.000 1.111 446 T CA 0.280 62.425 62.100 0.075 0.000 1.118 446 T CB -0.337 68.586 68.868 0.091 0.000 0.909 446 T HN 0.203 nan 8.240 nan 0.000 0.501 447 A N 2.547 125.400 122.820 0.054 0.000 2.565 447 A HA 0.470 4.790 4.320 0.000 0.000 0.237 447 A C 0.942 178.579 177.584 0.089 0.000 1.053 447 A CA -0.097 51.966 52.037 0.043 0.000 0.755 447 A CB -0.164 18.836 19.000 0.000 0.000 0.980 447 A HN 0.757 nan 8.150 nan 0.000 0.506 448 S N 1.775 117.476 115.700 0.003 0.000 2.624 448 S HA 0.476 4.947 4.470 0.000 0.000 0.263 448 S C -0.145 174.421 174.600 -0.057 0.000 1.287 448 S CA -0.382 57.735 58.200 -0.138 0.000 0.990 448 S CB 0.998 63.755 63.200 -0.738 0.000 0.950 448 S HN 0.821 nan 8.310 nan 0.000 0.561 449 Q N 0.288 120.066 119.800 -0.037 0.000 2.414 449 Q HA 0.486 4.826 4.340 0.000 0.000 0.256 449 Q C 0.635 176.620 176.000 -0.025 0.000 0.974 449 Q CA 0.143 55.943 55.803 -0.005 0.000 0.723 449 Q CB 0.406 29.176 28.738 0.054 0.000 1.281 449 Q HN 1.268 nan 8.270 nan 0.000 0.470 450 G N 3.405 112.184 108.800 -0.035 0.000 2.620 450 G HA2 -0.398 3.562 3.960 0.000 0.000 0.315 450 G HA3 -0.398 3.562 3.960 0.000 0.000 0.315 450 G C 0.444 175.360 174.900 0.027 0.000 1.179 450 G CA 0.505 45.611 45.100 0.009 0.000 0.971 450 G HN 0.654 nan 8.290 nan 0.000 0.544 451 R N 0.202 120.764 120.500 0.103 0.000 2.359 451 R HA 0.409 4.750 4.340 0.000 0.000 0.231 451 R C 0.416 176.892 176.300 0.293 0.000 0.913 451 R CA -0.024 56.243 56.100 0.279 0.000 1.075 451 R CB 0.151 30.525 30.300 0.124 0.000 1.087 451 R HN 0.444 nan 8.270 nan 0.000 0.515 452 I N 1.060 121.671 120.570 0.069 0.000 2.339 452 I HA 0.258 4.428 4.170 0.000 0.000 0.290 452 I C -0.680 175.314 176.117 -0.205 0.000 0.994 452 I CA -0.796 60.505 61.300 0.002 0.000 1.191 452 I CB 0.861 38.863 38.000 0.004 0.000 1.343 452 I HN -0.115 nan 8.210 nan 0.000 0.458 453 Y N 5.304 125.480 120.300 -0.206 0.000 2.567 453 Y HA 0.629 5.179 4.550 0.000 0.000 0.333 453 Y C -0.516 175.135 175.900 -0.416 0.000 1.106 453 Y CA -0.762 57.261 58.100 -0.128 0.000 1.157 453 Y CB 1.669 40.094 38.460 -0.058 0.000 1.277 453 Y HN 0.277 nan 8.280 nan 0.000 0.490 454 F N 0.453 120.513 119.950 0.183 0.000 2.556 454 F HA 0.795 5.322 4.527 0.000 0.000 0.314 454 F C -0.058 175.765 175.800 0.039 0.000 1.106 454 F CA -0.732 57.339 58.000 0.118 0.000 0.911 454 F CB 1.931 40.992 39.000 0.101 0.000 1.190 454 F HN 0.537 nan 8.300 nan 0.000 0.448 455 A N 1.343 124.259 122.820 0.161 0.000 2.564 455 A HA 1.003 5.323 4.320 0.000 0.000 0.288 455 A C -0.383 177.181 177.584 -0.033 0.000 1.164 455 A CA -0.391 51.654 52.037 0.014 0.000 0.712 455 A CB 1.615 20.623 19.000 0.014 0.000 1.303 455 A HN 1.729 nan 8.150 nan 0.000 0.418 456 G N -1.022 107.733 108.800 -0.074 0.000 2.357 456 G HA2 0.254 4.214 3.960 0.000 0.000 0.643 456 G HA3 0.254 4.214 3.960 0.000 0.000 0.643 456 G C 0.293 175.155 174.900 -0.063 0.000 1.358 456 G CA 0.390 45.481 45.100 -0.014 0.000 0.986 456 G HN 1.147 nan 8.290 nan 0.000 0.620 457 E N -0.742 119.495 120.200 0.061 0.000 2.114 457 E HA -0.283 4.067 4.350 0.000 0.000 0.199 457 E C 2.108 178.761 176.600 0.088 0.000 1.008 457 E CA 2.570 59.017 56.400 0.078 0.000 0.810 457 E CB -0.291 29.464 29.700 0.091 0.000 0.739 457 E HN 0.821 nan 8.360 nan 0.000 0.456 458 Y N 0.253 120.586 120.300 0.054 0.000 2.403 458 Y HA -0.054 4.496 4.550 0.000 0.000 0.291 458 Y C 2.198 178.197 175.900 0.165 0.000 1.143 458 Y CA 1.384 59.492 58.100 0.014 0.000 1.257 458 Y CB -1.006 37.498 38.460 0.075 0.000 0.984 458 Y HN 0.041 nan 8.280 nan 0.000 0.550 459 T N -1.979 112.306 114.554 -0.448 0.000 3.081 459 T HA 0.530 4.880 4.350 0.000 0.000 0.250 459 T C 0.876 175.553 174.700 -0.039 0.000 1.100 459 T CA 0.025 61.980 62.100 -0.242 0.000 1.038 459 T CB -0.538 68.125 68.868 -0.342 0.000 0.962 459 T HN 0.487 nan 8.240 nan 0.000 0.516 460 A N 1.082 123.899 122.820 -0.005 0.000 2.287 460 A HA 0.463 4.783 4.320 0.000 0.000 0.273 460 A C 1.300 178.876 177.584 -0.014 0.000 1.091 460 A CA -0.570 51.462 52.037 -0.007 0.000 0.817 460 A CB 0.472 19.474 19.000 0.003 0.000 1.069 460 A HN 0.393 nan 8.150 nan 0.000 0.492 461 Q N -0.581 119.197 119.800 -0.036 0.000 2.297 461 Q HA 0.123 4.463 4.340 0.000 0.000 0.204 461 Q C 0.526 176.439 176.000 -0.146 0.000 0.962 461 Q CA 1.103 56.881 55.803 -0.043 0.000 0.879 461 Q CB 0.049 28.779 28.738 -0.014 0.000 0.947 461 Q HN 0.787 nan 8.270 nan 0.000 0.462 462 A N -0.076 122.643 122.820 -0.168 0.000 2.413 462 A HA 0.580 4.900 4.320 0.000 0.000 0.307 462 A C -1.558 175.919 177.584 -0.179 0.000 1.087 462 A CA -0.676 51.224 52.037 -0.228 0.000 0.750 462 A CB 0.757 19.728 19.000 -0.047 0.000 1.296 462 A HN 0.237 nan 8.150 nan 0.000 0.423 463 H N -0.449 118.609 119.070 -0.019 0.000 2.479 463 H HA 0.533 5.089 4.556 0.000 0.000 0.335 463 H C 0.993 176.277 175.328 -0.073 0.000 1.142 463 H CA 0.129 56.127 56.048 -0.083 0.000 1.234 463 H CB 1.584 31.223 29.762 -0.205 0.000 1.503 463 H HN 1.423 nan 8.280 nan 0.000 0.510 464 G N 1.269 110.055 108.800 -0.023 0.000 2.137 464 G HA2 -0.246 3.714 3.960 0.000 0.000 0.237 464 G HA3 -0.246 3.714 3.960 0.000 0.000 0.237 464 G C -0.872 173.645 174.900 -0.639 0.000 1.002 464 G CA -0.203 44.717 45.100 -0.300 0.000 0.702 464 G HN 0.611 nan 8.290 nan 0.000 0.515 465 W N -1.293 120.053 121.300 0.076 0.000 3.042 465 W HA 0.634 5.294 4.660 0.000 0.000 0.337 465 W C 1.242 177.759 176.519 -0.003 0.000 1.086 465 W CA -1.247 56.139 57.345 0.068 0.000 1.236 465 W CB 0.753 30.265 29.460 0.088 0.000 1.381 465 W HN -0.047 nan 8.180 nan 0.000 0.472 466 I N 1.030 121.756 120.570 0.260 0.000 2.194 466 I HA -0.345 3.825 4.170 0.000 0.000 0.246 466 I C 2.018 178.185 176.117 0.083 0.000 1.093 466 I CA 1.995 63.374 61.300 0.131 0.000 1.355 466 I CB -0.213 37.862 38.000 0.125 0.000 1.046 466 I HN 0.584 nan 8.210 nan 0.000 0.413 467 D N 0.004 120.433 120.400 0.049 0.000 2.104 467 D HA -0.227 4.413 4.640 0.000 0.000 0.194 467 D C 2.300 178.555 176.300 -0.076 0.000 0.994 467 D CA 1.710 55.659 54.000 -0.085 0.000 0.830 467 D CB 0.044 40.581 40.800 -0.438 0.000 0.959 467 D HN 0.113 nan 8.370 nan 0.000 0.452 468 S N -1.704 113.947 115.700 -0.082 0.000 2.383 468 S HA -0.109 4.361 4.470 0.000 0.000 0.227 468 S C 1.929 176.512 174.600 -0.029 0.000 1.026 468 S CA 1.597 59.771 58.200 -0.044 0.000 0.981 468 S CB -0.445 62.748 63.200 -0.011 0.000 0.818 468 S HN 0.317 nan 8.310 nan 0.000 0.472 469 T N 2.512 117.069 114.554 0.004 0.000 2.708 469 T HA 0.019 4.370 4.350 0.000 0.000 0.266 469 T C 1.697 176.375 174.700 -0.037 0.000 1.037 469 T CA 1.466 63.562 62.100 -0.006 0.000 1.146 469 T CB -0.376 68.503 68.868 0.018 0.000 0.865 469 T HN 0.371 nan 8.240 nan 0.000 0.435 470 I N 0.874 121.425 120.570 -0.032 0.000 2.151 470 I HA -0.245 3.926 4.170 0.000 0.000 0.243 470 I C 2.707 178.774 176.117 -0.084 0.000 1.080 470 I CA 1.447 62.717 61.300 -0.049 0.000 1.339 470 I CB -0.363 37.627 38.000 -0.016 0.000 1.039 470 I HN 0.191 nan 8.210 nan 0.000 0.409 471 K N 0.820 121.150 120.400 -0.116 0.000 2.103 471 K HA -0.235 4.085 4.320 0.000 0.000 0.207 471 K C 2.350 178.734 176.600 -0.361 0.000 1.048 471 K CA 2.034 58.155 56.287 -0.277 0.000 0.930 471 K CB -0.104 32.248 32.500 -0.247 0.000 0.716 471 K HN 0.446 nan 8.250 nan 0.000 0.444 472 S N -0.541 115.036 115.700 -0.205 0.000 2.382 472 S HA -0.103 4.367 4.470 0.000 0.000 0.228 472 S C 2.139 176.666 174.600 -0.122 0.000 1.027 472 S CA 1.273 59.376 58.200 -0.162 0.000 0.991 472 S CB -0.674 62.465 63.200 -0.102 0.000 0.823 472 S HN 0.423 nan 8.310 nan 0.000 0.469 473 G N 1.920 110.664 108.800 -0.093 0.000 2.402 473 G HA2 0.008 3.968 3.960 0.000 0.000 0.216 473 G HA3 0.008 3.968 3.960 0.000 0.000 0.216 473 G C 1.493 176.366 174.900 -0.046 0.000 1.162 473 G CA 0.844 45.913 45.100 -0.052 0.000 0.777 473 G HN 0.519 nan 8.290 nan 0.000 0.539 474 L N -0.090 121.089 121.223 -0.072 0.000 2.083 474 L HA -0.037 4.303 4.340 0.000 0.000 0.209 474 L C 2.881 179.783 176.870 0.054 0.000 1.083 474 L CA 1.324 56.172 54.840 0.013 0.000 0.752 474 L CB -0.394 41.704 42.059 0.066 0.000 0.899 474 L HN 0.209 nan 8.230 nan 0.000 0.433 475 R N 0.574 120.958 120.500 -0.195 0.000 2.081 475 R HA -0.156 4.184 4.340 0.000 0.000 0.235 475 R C 2.361 178.704 176.300 0.072 0.000 1.131 475 R CA 1.468 57.554 56.100 -0.023 0.000 0.960 475 R CB -0.224 29.968 30.300 -0.179 0.000 0.856 475 R HN 0.309 nan 8.270 nan 0.000 0.436 476 A N 0.655 123.481 122.820 0.010 0.000 1.898 476 A HA -0.033 4.287 4.320 0.000 0.000 0.216 476 A C 2.380 179.882 177.584 -0.136 0.000 1.181 476 A CA 1.504 53.537 52.037 -0.006 0.000 0.620 476 A CB -0.847 18.164 19.000 0.019 0.000 0.819 476 A HN 0.539 nan 8.150 nan 0.000 0.442 477 A N -0.150 122.621 122.820 -0.080 0.000 1.902 477 A HA -0.194 4.127 4.320 0.000 0.000 0.217 477 A C 2.259 179.793 177.584 -0.085 0.000 1.181 477 A CA 1.860 53.838 52.037 -0.098 0.000 0.623 477 A CB -0.534 18.462 19.000 -0.007 0.000 0.818 477 A HN 0.567 nan 8.150 nan 0.000 0.443 478 R N -0.430 120.085 120.500 0.026 0.000 2.081 478 R HA -0.180 4.161 4.340 0.000 0.000 0.235 478 R C 1.368 177.647 176.300 -0.035 0.000 1.131 478 R CA 1.959 58.084 56.100 0.042 0.000 0.960 478 R CB -0.347 30.046 30.300 0.155 0.000 0.856 478 R HN 0.445 nan 8.270 nan 0.000 0.436 479 D N -0.228 120.140 120.400 -0.052 0.000 2.144 479 D HA -0.109 4.531 4.640 0.000 0.000 0.200 479 D C 1.941 178.055 176.300 -0.309 0.000 0.978 479 D CA 1.023 54.975 54.000 -0.080 0.000 0.833 479 D CB -0.128 40.713 40.800 0.069 0.000 0.961 479 D HN 0.088 nan 8.370 nan 0.000 0.470 480 V N 1.241 120.794 119.914 -0.603 0.000 2.343 480 V HA -0.240 3.880 4.120 0.000 0.000 0.247 480 V C 2.222 177.972 176.094 -0.573 0.000 1.051 480 V CA 1.568 63.334 62.300 -0.890 0.000 1.036 480 V CB -0.559 30.688 31.823 -0.960 0.000 0.654 480 V HN 0.146 nan 8.190 nan 0.000 0.451 481 N N 0.312 118.821 118.700 -0.319 0.000 2.061 481 N HA -0.172 4.568 4.740 0.000 0.000 0.193 481 N C 1.639 177.118 175.510 -0.050 0.000 1.030 481 N CA 1.769 54.763 53.050 -0.093 0.000 0.856 481 N CB -0.331 38.167 38.487 0.019 0.000 1.023 481 N HN 0.446 nan 8.380 nan 0.000 0.424 482 L N -0.367 120.811 121.223 -0.075 0.000 2.093 482 L HA -0.033 4.307 4.340 0.000 0.000 0.208 482 L C 2.404 179.260 176.870 -0.023 0.000 1.085 482 L CA 1.068 55.891 54.840 -0.029 0.000 0.755 482 L CB -0.542 41.508 42.059 -0.014 0.000 0.904 482 L HN 0.192 nan 8.230 nan 0.000 0.435 483 A N 0.200 122.966 122.820 -0.090 0.000 1.940 483 A HA -0.250 4.070 4.320 0.000 0.000 0.219 483 A C 2.535 180.154 177.584 0.057 0.000 1.176 483 A CA 2.065 54.081 52.037 -0.036 0.000 0.631 483 A CB -0.770 18.130 19.000 -0.168 0.000 0.814 483 A HN 0.521 nan 8.150 nan 0.000 0.446 484 S N -0.391 115.316 115.700 0.011 0.000 2.419 484 S HA -0.163 4.307 4.470 0.000 0.000 0.233 484 S C 1.541 176.227 174.600 0.143 0.000 1.016 484 S CA 1.523 59.825 58.200 0.170 0.000 0.974 484 S CB -0.331 63.010 63.200 0.236 0.000 0.786 484 S HN 0.681 nan 8.310 nan 0.000 0.492 485 E N 0.977 121.232 120.200 0.091 0.000 2.250 485 E HA 0.128 4.478 4.350 0.000 0.000 0.192 485 E C 0.922 177.560 176.600 0.064 0.000 0.986 485 E CA -0.133 56.308 56.400 0.069 0.000 0.849 485 E CB -0.034 29.693 29.700 0.046 0.000 0.797 485 E HN 0.519 nan 8.360 nan 0.000 0.482 486 N N 0.000 118.742 118.700 0.070 0.000 1.763 486 N HA 0.000 4.740 4.740 0.000 0.000 0.220 486 N CA 0.000 53.091 53.050 0.068 0.000 0.885 486 N CB 0.000 38.533 38.487 0.077 0.000 1.341 486 N HN 0.000 nan 8.380 nan 0.000 0.667