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 2e39_1_A DATA FIRST_RESID 9 DATA SEQUENCE SVTcPGGQST SNSQccVWFD VLDDLQTNFY QGSKcESPVR KILRIVFHDA DATA SEQUENCE IGFSPALTAA GQFGGGGADG SIIAHSNIEL AFPANGGLTD TIEALRAVGI DATA SEQUENCE NHGVSFGDLI QFATAVGMSN cPGSPRLEFL TGRSNSSQPS PPSLIPGPGN DATA SEQUENCE TVTAILDRMG DAGFSPDEVV DLLAAHSLAS QEGLNSAIFR SPLDSTPQVF DATA SEQUENCE DTQFYIETLL KGTTQPGPSL GFAEELSPFP GEFRMRSDAL LARDSRTAcR DATA SEQUENCE WQSMTSSNEV MGQRYRAAMA KMSVLGFDRN ALTDcSDVIP SAVSNNAAPV DATA SEQUENCE IPGGLTVDDI EVScPSEPFP EIATASGPLP SLAPAP 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.619 174.600 0.032 0.000 1.055 9 S CA 0.000 58.218 58.200 0.030 0.000 1.107 9 S CB 0.000 63.215 63.200 0.024 0.000 0.593 10 V N 3.376 123.318 119.914 0.046 0.000 2.583 10 V HA 0.304 4.426 4.120 0.003 0.000 0.287 10 V C 0.007 176.128 176.094 0.046 0.000 1.051 10 V CA 0.043 62.373 62.300 0.050 0.000 1.010 10 V CB 1.332 33.196 31.823 0.069 0.000 0.988 10 V HN 0.006 nan 8.190 nan 0.000 0.478 11 T N 5.559 120.131 114.554 0.029 0.000 2.809 11 T HA 0.415 4.767 4.350 0.003 0.000 0.296 11 T C 0.045 174.748 174.700 0.006 0.000 1.015 11 T CA -0.725 61.380 62.100 0.007 0.000 0.954 11 T CB 0.013 68.878 68.868 -0.004 0.000 0.950 11 T HN 0.292 nan 8.240 nan 0.000 0.450 12 c N 4.773 123.368 118.600 -0.009 0.000 2.595 12 c HA 0.212 4.784 4.570 0.003 0.000 0.384 12 c C -0.354 173.721 174.090 -0.025 0.000 1.289 12 c CA -1.282 55.052 56.329 0.008 0.000 2.372 12 c CB 0.513 43.041 42.510 0.029 0.000 2.593 12 c HN 0.666 nan 8.230 nan 0.000 0.639 13 P HA -0.138 nan 4.420 nan 0.000 0.218 13 P C 1.472 178.751 177.300 -0.035 0.000 1.152 13 P CA 2.152 65.245 63.100 -0.013 0.000 0.857 13 P CB -0.041 31.660 31.700 0.003 0.000 0.787 14 G N -2.116 106.647 108.800 -0.061 0.000 2.559 14 G HA2 0.076 4.038 3.960 0.003 0.000 0.216 14 G HA3 0.076 4.038 3.960 0.003 0.000 0.216 14 G C 1.224 176.046 174.900 -0.129 0.000 1.126 14 G CA 0.770 45.812 45.100 -0.097 0.000 0.778 14 G HN 0.482 nan 8.290 nan 0.000 0.543 15 G N -1.329 107.394 108.800 -0.129 0.000 2.175 15 G HA2 -0.254 3.708 3.960 0.003 0.000 0.244 15 G HA3 -0.254 3.708 3.960 0.003 0.000 0.244 15 G C 0.312 175.120 174.900 -0.152 0.000 0.982 15 G CA 0.245 45.280 45.100 -0.107 0.000 0.641 15 G HN 0.627 nan 8.290 nan 0.000 0.527 16 Q N 1.266 120.892 119.800 -0.289 0.000 2.364 16 Q HA 0.066 4.408 4.340 0.003 0.000 0.267 16 Q C 0.229 176.114 176.000 -0.192 0.000 0.999 16 Q CA 0.167 55.739 55.803 -0.385 0.000 0.886 16 Q CB 0.916 29.006 28.738 -1.079 0.000 1.243 16 Q HN -0.200 nan 8.270 nan 0.000 0.415 17 S N 2.926 118.580 115.700 -0.077 0.000 2.457 17 S HA 0.408 4.880 4.470 0.003 0.000 0.289 17 S C -0.983 173.681 174.600 0.106 0.000 1.163 17 S CA -0.461 57.747 58.200 0.014 0.000 1.078 17 S CB 0.575 63.785 63.200 0.017 0.000 0.987 17 S HN 0.090 nan 8.310 nan 0.000 0.482 18 T N 4.142 118.782 114.554 0.143 0.000 2.841 18 T HA 0.451 4.928 4.350 0.211 0.000 0.296 18 T C -0.489 174.289 174.700 0.130 0.000 1.166 18 T CA -1.256 60.970 62.100 0.210 0.000 1.007 18 T CB 2.856 71.950 68.868 0.376 0.000 1.253 18 T HN 0.067 8.373 8.240 0.109 0.000 0.511 19 S N 2.277 118.044 115.700 0.113 0.000 2.436 19 S HA 0.050 4.558 4.470 0.062 0.000 0.228 19 S C -0.035 174.604 174.600 0.064 0.000 1.014 19 S CA 1.028 59.272 58.200 0.072 0.000 0.950 19 S CB 0.571 63.804 63.200 0.054 0.000 0.784 19 S HN 0.387 8.935 8.310 0.129 -0.161 0.504 20 N N -0.564 118.185 118.700 0.082 0.000 2.446 20 N HA 0.122 4.896 4.740 0.056 0.000 0.272 20 N C -0.207 175.358 175.510 0.092 0.000 1.127 20 N CA -0.190 52.901 53.050 0.068 0.000 0.896 20 N CB 1.986 40.501 38.487 0.046 0.000 1.658 20 N HN -0.783 7.618 8.380 0.107 0.043 0.483 21 S N 2.994 118.738 115.700 0.075 0.000 2.442 21 S HA -0.164 4.365 4.470 0.099 0.000 0.236 21 S C 2.033 176.687 174.600 0.089 0.000 1.007 21 S CA 2.232 60.480 58.200 0.081 0.000 0.965 21 S CB -0.133 63.099 63.200 0.053 0.000 0.773 21 S HN 0.561 8.906 8.310 0.059 0.000 0.504 22 Q N 0.924 120.774 119.800 0.084 0.000 2.364 22 Q HA -0.172 4.215 4.340 0.078 0.000 0.207 22 Q C 0.734 176.849 176.000 0.192 0.000 0.970 22 Q CA 2.095 57.959 55.803 0.102 0.000 0.888 22 Q CB -0.049 28.737 28.738 0.081 0.000 0.951 22 Q HN -0.070 8.549 8.270 0.071 -0.307 0.469 23 c N -3.517 115.196 118.600 0.188 0.000 2.468 23 c HA -0.039 4.768 4.570 0.395 0.000 0.277 23 c C 2.188 176.401 174.090 0.204 0.000 1.400 23 c CA 0.413 56.887 56.329 0.242 0.000 1.770 23 c CB -1.618 40.977 42.510 0.141 0.000 1.905 23 c HN -0.404 7.764 8.230 0.148 0.151 0.519 24 c N 0.411 119.141 118.600 0.218 0.000 2.425 24 c HA -0.163 4.778 4.570 0.617 0.000 0.277 24 c C 2.333 176.522 174.090 0.166 0.000 1.280 24 c CA 4.372 60.890 56.329 0.314 0.000 1.744 24 c CB -1.940 40.691 42.510 0.203 0.000 1.989 24 c HN -0.382 7.913 8.230 0.183 0.044 0.491 25 V N 0.166 120.048 119.914 -0.054 0.000 2.594 25 V HA -0.237 3.804 4.120 -0.132 0.000 0.253 25 V C 1.564 177.413 176.094 -0.408 0.000 1.069 25 V CA 2.643 64.788 62.300 -0.257 0.000 1.082 25 V CB -0.310 31.241 31.823 -0.453 0.000 0.680 25 V HN 0.011 8.171 8.190 -0.050 0.000 0.469 26 W N -1.781 119.350 121.300 -0.282 0.000 2.595 26 W HA -0.275 3.953 4.660 -0.720 0.000 0.257 26 W C 1.674 177.951 176.519 -0.403 0.000 1.267 26 W CA 2.452 59.436 57.345 -0.600 0.000 1.300 26 W CB -0.386 28.603 29.460 -0.786 0.000 1.120 26 W HN -0.530 7.415 8.180 -0.160 0.139 0.618 27 F N -1.815 118.189 119.950 0.089 0.000 2.234 27 F HA -0.376 4.252 4.527 0.167 0.000 0.299 27 F C 1.540 177.366 175.800 0.043 0.000 1.087 27 F CA 4.047 62.108 58.000 0.102 0.000 1.340 27 F CB -0.616 38.434 39.000 0.085 0.000 1.031 27 F HN -0.565 7.625 8.300 0.041 0.135 0.500 28 D N -0.112 120.362 120.400 0.123 0.000 2.149 28 D HA -0.182 4.529 4.640 0.119 0.000 0.201 28 D C 2.662 178.873 176.300 -0.148 0.000 0.972 28 D CA 2.830 56.861 54.000 0.052 0.000 0.835 28 D CB -0.792 40.065 40.800 0.096 0.000 0.966 28 D HN -0.252 8.175 8.370 0.095 0.000 0.476 29 V N 2.926 122.603 119.914 -0.395 0.000 2.343 29 V HA -0.177 3.945 4.120 0.003 0.000 0.247 29 V C 2.227 178.345 176.094 0.040 0.000 1.051 29 V CA 1.671 63.677 62.300 -0.489 0.000 1.036 29 V CB -0.540 30.983 31.823 -0.500 0.000 0.654 29 V HN -0.130 nan 8.190 nan 0.000 0.451 30 L N -0.176 121.209 121.223 0.270 0.000 2.013 30 L HA -0.503 4.062 4.340 0.375 0.000 0.212 30 L C 1.206 178.191 176.870 0.192 0.000 1.073 30 L CA 3.089 58.123 54.840 0.323 0.000 0.753 30 L CB -0.160 42.100 42.059 0.336 0.000 0.890 30 L HN 0.061 8.423 8.230 0.220 0.000 0.432 31 D N -1.890 118.607 120.400 0.160 0.000 2.117 31 D HA -0.310 4.412 4.640 0.136 0.000 0.197 31 D C 2.316 178.691 176.300 0.125 0.000 0.987 31 D CA 3.477 57.559 54.000 0.136 0.000 0.829 31 D CB -0.782 40.095 40.800 0.128 0.000 0.961 31 D HN -0.592 7.876 8.370 0.164 0.000 0.460 32 D N 0.960 121.427 120.400 0.113 0.000 2.084 32 D HA -0.200 4.521 4.640 0.136 0.000 0.194 32 D C 2.199 178.573 176.300 0.124 0.000 0.990 32 D CA 2.753 56.831 54.000 0.129 0.000 0.826 32 D CB 0.091 41.000 40.800 0.182 0.000 0.971 32 D HN -0.666 7.755 8.370 0.086 0.000 0.453 33 L N -0.891 120.402 121.223 0.116 0.000 2.042 33 L HA -0.446 3.946 4.340 0.088 0.000 0.210 33 L C 2.495 179.506 176.870 0.236 0.000 1.076 33 L CA 3.014 57.931 54.840 0.129 0.000 0.749 33 L CB -0.213 41.922 42.059 0.127 0.000 0.893 33 L HN -0.081 8.210 8.230 0.102 0.000 0.432 34 Q N -2.658 117.285 119.800 0.237 0.000 2.123 34 Q HA -0.225 4.333 4.340 0.364 0.000 0.199 34 Q C 2.982 179.089 176.000 0.178 0.000 0.966 34 Q CA 2.972 58.922 55.803 0.246 0.000 0.845 34 Q CB -0.576 28.259 28.738 0.162 0.000 0.907 34 Q HN 0.126 8.514 8.270 0.198 0.000 0.439 35 T N 2.922 117.557 114.554 0.136 0.000 2.737 35 T HA -0.296 4.109 4.350 0.092 0.000 0.265 35 T C 1.707 176.464 174.700 0.095 0.000 1.038 35 T CA 5.113 67.275 62.100 0.103 0.000 1.144 35 T CB -0.276 68.646 68.868 0.089 0.000 0.866 35 T HN -0.189 8.132 8.240 0.135 0.000 0.434 36 N N 0.321 119.084 118.700 0.106 0.000 2.531 36 N HA 0.089 4.868 4.740 0.066 0.000 0.223 36 N C 2.125 177.683 175.510 0.079 0.000 1.023 36 N CA 1.538 54.640 53.050 0.087 0.000 1.124 36 N CB 0.661 39.204 38.487 0.095 0.000 1.427 36 N HN -0.256 8.197 8.380 0.123 0.000 0.558 37 F N 1.755 121.639 119.950 -0.111 0.000 2.115 37 F HA -0.345 4.067 4.527 -0.191 0.000 0.300 37 F C 0.980 176.606 175.800 -0.290 0.000 1.092 37 F CA 3.108 60.949 58.000 -0.265 0.000 1.245 37 F CB 0.344 39.065 39.000 -0.464 0.000 0.995 37 F HN -0.405 8.010 8.300 0.192 0.000 0.481 38 Y N -6.183 114.168 120.300 0.085 0.000 2.457 38 Y HA 0.110 4.576 4.550 -0.141 0.000 0.263 38 Y C -0.744 175.137 175.900 -0.031 0.000 1.164 38 Y CA -0.192 57.894 58.100 -0.023 0.000 1.274 38 Y CB -0.318 38.173 38.460 0.053 0.000 1.097 38 Y HN 0.061 8.387 8.280 0.108 0.019 0.523 39 Q N -1.670 118.185 119.800 0.092 0.000 2.468 39 Q HA -0.400 4.083 4.340 0.043 -0.117 0.289 39 Q C 0.247 176.285 176.000 0.063 0.000 1.299 39 Q CA 1.010 56.844 55.803 0.051 0.000 0.838 39 Q CB -2.533 26.212 28.738 0.012 0.000 1.195 39 Q HN -0.343 7.801 8.270 0.078 0.173 0.456 40 G N -3.358 105.493 108.800 0.085 0.000 2.356 40 G HA2 -0.403 3.626 3.960 0.070 0.000 0.233 40 G HA3 -0.403 3.587 3.960 0.049 0.000 0.233 40 G C -0.875 174.062 174.900 0.062 0.000 1.105 40 G CA -0.034 45.107 45.100 0.067 0.000 0.861 40 G HN -0.224 8.130 8.290 0.108 0.000 0.493 41 S N -4.383 111.374 115.700 0.095 0.000 3.635 41 S HA -0.530 4.074 4.470 0.045 -0.106 0.328 41 S C -0.382 174.205 174.600 -0.022 0.000 1.135 41 S CA 1.333 59.555 58.200 0.036 0.000 0.942 41 S CB -1.908 61.300 63.200 0.013 0.000 0.930 41 S HN -0.008 8.391 8.310 0.147 0.000 0.512 42 K N -1.778 118.624 120.400 0.004 0.000 2.090 42 K HA 0.178 4.478 4.320 -0.034 0.000 0.249 42 K C -0.158 176.393 176.600 -0.082 0.000 0.995 42 K CA -1.083 55.190 56.287 -0.024 0.000 0.914 42 K CB 1.736 34.240 32.500 0.007 0.000 1.057 42 K HN -0.473 7.817 8.250 0.067 0.000 0.462 43 c N 4.209 122.764 118.600 -0.074 0.000 2.376 43 c HA 0.200 4.693 4.570 -0.129 0.000 0.341 43 c C -1.160 172.903 174.090 -0.045 0.000 1.106 43 c CA -1.377 54.900 56.329 -0.087 0.000 1.631 43 c CB -2.881 39.580 42.510 -0.082 0.000 1.649 43 c HN 0.456 8.654 8.230 -0.053 0.000 0.456 44 E N 3.875 124.058 120.200 -0.027 0.000 2.489 44 E HA 0.162 4.495 4.350 -0.028 0.000 0.201 44 E C 0.034 176.617 176.600 -0.029 0.000 0.752 44 E CA -1.114 55.271 56.400 -0.025 0.000 0.948 44 E CB 1.950 31.639 29.700 -0.019 0.000 1.871 44 E HN -0.464 7.886 8.360 -0.017 0.000 0.383 45 S N 0.960 116.633 115.700 -0.045 0.000 2.374 45 S HA -0.131 4.301 4.470 -0.063 0.000 0.227 45 S C 0.330 174.889 174.600 -0.067 0.000 1.037 45 S CA 5.601 63.765 58.200 -0.061 0.000 1.024 45 S CB -1.938 61.225 63.200 -0.061 0.000 0.861 45 S HN 0.281 8.566 8.310 -0.041 0.000 0.456 46 P HA -0.271 3.964 4.420 -0.309 0.000 0.216 46 P C 2.237 179.591 177.300 0.090 0.000 1.153 46 P CA 2.217 65.165 63.100 -0.254 0.000 0.858 46 P CB -0.680 30.601 31.700 -0.698 0.000 0.789 47 V N 0.610 120.660 119.914 0.226 0.000 2.427 47 V HA -0.193 3.929 4.120 0.003 0.000 0.248 47 V C 1.700 177.866 176.094 0.119 0.000 1.051 47 V CA 1.574 64.019 62.300 0.241 0.000 1.048 47 V CB -0.133 31.700 31.823 0.018 0.000 0.666 47 V HN 0.335 nan 8.190 nan 0.000 0.456 48 R N -0.811 119.715 120.500 0.044 0.000 2.075 48 R HA -0.285 4.062 4.340 0.012 0.000 0.232 48 R C 2.489 178.801 176.300 0.019 0.000 1.126 48 R CA 2.716 58.821 56.100 0.009 0.000 0.963 48 R CB -0.169 30.107 30.300 -0.041 0.000 0.858 48 R HN -0.303 7.971 8.270 0.027 0.012 0.435 49 K N -1.031 119.385 120.400 0.026 0.000 2.057 49 K HA -0.260 4.062 4.320 0.003 0.000 0.207 49 K C 2.062 178.710 176.600 0.079 0.000 1.049 49 K CA 2.270 58.578 56.287 0.035 0.000 0.931 49 K CB -0.601 31.921 32.500 0.037 0.000 0.714 49 K HN -0.162 8.098 8.250 0.017 0.000 0.440 50 I N 0.362 121.031 120.570 0.166 0.000 2.286 50 I HA -0.362 3.899 4.170 0.152 0.000 0.248 50 I C 1.820 178.002 176.117 0.107 0.000 1.115 50 I CA 2.675 64.081 61.300 0.178 0.000 1.392 50 I CB -0.573 37.605 38.000 0.297 0.000 1.065 50 I HN -0.284 8.046 8.210 0.200 0.000 0.418 51 L N -1.171 120.109 121.223 0.093 0.000 2.109 51 L HA -0.389 4.007 4.340 0.094 0.000 0.207 51 L C 2.481 179.395 176.870 0.074 0.000 1.086 51 L CA 3.130 58.022 54.840 0.086 0.000 0.760 51 L CB -0.664 41.445 42.059 0.083 0.000 0.910 51 L HN -0.231 8.044 8.230 0.097 0.013 0.437 52 R N -1.183 119.322 120.500 0.008 0.000 2.091 52 R HA -0.341 3.953 4.340 -0.077 0.000 0.238 52 R C 2.690 178.817 176.300 -0.288 0.000 1.136 52 R CA 3.613 59.620 56.100 -0.156 0.000 0.959 52 R CB -0.146 30.033 30.300 -0.201 0.000 0.856 52 R HN -0.670 7.607 8.270 0.012 0.000 0.437 53 I N -0.472 120.039 120.570 -0.099 0.000 2.286 53 I HA -0.402 3.735 4.170 -0.056 0.000 0.248 53 I C 1.801 177.956 176.117 0.064 0.000 1.115 53 I CA 4.327 65.612 61.300 -0.024 0.000 1.392 53 I CB -0.217 37.794 38.000 0.020 0.000 1.065 53 I HN -0.195 7.918 8.210 -0.043 0.072 0.418 54 V N 0.732 120.705 119.914 0.097 0.000 2.358 54 V HA -0.404 3.792 4.120 0.126 0.000 0.246 54 V C 1.296 177.528 176.094 0.230 0.000 1.047 54 V CA 3.891 66.274 62.300 0.139 0.000 1.035 54 V CB -0.783 31.105 31.823 0.109 0.000 0.658 54 V HN -0.138 8.102 8.190 0.084 0.000 0.452 55 F N 0.838 120.838 119.950 0.083 0.000 2.102 55 F HA -0.316 4.291 4.527 0.134 0.000 0.298 55 F C 1.405 177.386 175.800 0.302 0.000 1.105 55 F CA 1.429 59.527 58.000 0.163 0.000 1.239 55 F CB -0.183 38.916 39.000 0.164 0.000 0.991 55 F HN -0.756 7.730 8.300 0.310 0.000 0.474 56 H N -3.056 115.988 119.070 -0.044 0.000 2.495 56 H HA -0.230 4.118 4.556 -0.348 0.000 0.287 56 H C 1.669 177.006 175.328 0.015 0.000 1.033 56 H CA 1.530 57.494 56.048 -0.140 0.000 1.307 56 H CB 0.137 29.869 29.762 -0.051 0.000 1.401 56 H HN -0.275 8.107 8.280 0.170 0.000 0.555 57 D N -0.051 120.467 120.400 0.197 0.000 2.091 57 D HA -0.160 4.593 4.640 0.188 0.000 0.199 57 D C 1.600 178.019 176.300 0.197 0.000 0.980 57 D CA 2.590 56.702 54.000 0.186 0.000 0.831 57 D CB 0.395 41.295 40.800 0.167 0.000 0.987 57 D HN -0.269 8.197 8.370 0.192 0.019 0.460 58 A N -0.568 122.377 122.820 0.208 0.000 1.929 58 A HA -0.197 4.345 4.320 0.209 -0.096 0.216 58 A C 1.836 179.564 177.584 0.241 0.000 1.176 58 A CA 2.743 54.914 52.037 0.223 0.000 0.628 58 A CB -0.146 18.999 19.000 0.242 0.000 0.816 58 A HN -0.501 7.778 8.150 0.215 0.000 0.444 59 I N -2.968 117.729 120.570 0.210 0.000 3.291 59 I HA -0.163 4.202 4.170 0.325 0.000 0.279 59 I C -0.316 175.892 176.117 0.152 0.000 1.294 59 I CA -0.988 60.434 61.300 0.202 0.000 1.428 59 I CB 0.090 38.107 38.000 0.028 0.000 1.070 59 I HN -0.255 8.054 8.210 0.165 0.000 0.478 60 G N 0.477 109.366 108.800 0.149 0.000 3.008 60 G HA2 -0.073 3.927 3.960 0.067 0.000 0.272 60 G HA3 -0.073 3.975 3.960 0.146 0.000 0.272 60 G C -2.437 172.565 174.900 0.170 0.000 0.764 60 G CA 0.017 45.193 45.100 0.127 0.000 2.029 60 G HN -0.665 7.671 8.290 0.158 0.049 0.587 61 F N 4.156 124.079 119.950 -0.044 0.000 2.651 61 F HA 0.281 4.814 4.527 -0.151 -0.096 0.329 61 F C -2.848 172.902 175.800 -0.084 0.000 1.186 61 F CA 0.050 58.001 58.000 -0.082 0.000 1.046 61 F CB 3.054 42.040 39.000 -0.023 0.000 1.296 61 F HN -0.413 7.928 8.300 0.139 0.043 0.497 62 S N 7.940 123.243 115.700 -0.663 0.000 2.496 62 S HA 0.562 4.927 4.470 -0.348 -0.104 0.221 62 S C -2.052 172.222 174.600 -0.543 0.000 1.260 62 S CA -3.009 54.913 58.200 -0.463 0.000 1.181 62 S CB 0.447 63.485 63.200 -0.271 0.000 1.136 62 S HN -0.294 7.513 8.310 -0.838 0.000 0.467 63 P HA -0.194 3.983 4.420 -0.405 0.000 0.217 63 P C 0.140 177.308 177.300 -0.219 0.000 1.148 63 P CA 2.419 65.302 63.100 -0.363 0.000 0.828 63 P CB 0.183 31.738 31.700 -0.243 0.000 0.783 64 A N -3.591 119.124 122.820 -0.175 0.000 1.933 64 A HA -0.201 4.061 4.320 -0.098 0.000 0.218 64 A C 2.071 179.583 177.584 -0.121 0.000 1.175 64 A CA 2.891 54.857 52.037 -0.118 0.000 0.628 64 A CB -0.653 18.295 19.000 -0.087 0.000 0.814 64 A HN -0.174 8.126 8.150 -0.182 -0.259 0.444 65 L N -3.042 118.088 121.223 -0.156 0.000 2.027 65 L HA -0.461 3.819 4.340 -0.100 0.000 0.206 65 L C 2.436 179.230 176.870 -0.126 0.000 1.074 65 L CA 3.030 57.788 54.840 -0.135 0.000 0.745 65 L CB -0.258 41.703 42.059 -0.163 0.000 0.898 65 L HN -0.630 7.487 8.230 -0.188 0.000 0.433 66 T N 1.378 115.827 114.554 -0.175 0.000 2.699 66 T HA -0.280 4.222 4.350 -0.099 -0.212 0.268 66 T C 2.633 177.283 174.700 -0.082 0.000 1.036 66 T CA 4.192 66.214 62.100 -0.130 0.000 1.147 66 T CB -0.506 68.258 68.868 -0.174 0.000 0.862 66 T HN -0.444 7.654 8.240 -0.237 0.000 0.446 67 A N 0.450 123.218 122.820 -0.087 0.000 2.067 67 A HA -0.086 4.204 4.320 -0.050 0.000 0.219 67 A C 0.222 177.779 177.584 -0.045 0.000 1.158 67 A CA 2.289 54.291 52.037 -0.059 0.000 0.661 67 A CB -0.562 18.401 19.000 -0.060 0.000 0.801 67 A HN -0.016 8.055 8.150 -0.110 0.013 0.452 68 A N -2.995 119.796 122.820 -0.048 0.000 2.577 68 A HA 0.147 4.450 4.320 -0.029 0.000 0.280 68 A C -0.286 177.283 177.584 -0.025 0.000 1.331 68 A CA -0.815 51.201 52.037 -0.035 0.000 0.935 68 A CB -0.349 18.628 19.000 -0.038 0.000 1.082 68 A HN -0.492 7.452 8.150 -0.062 0.169 0.525 69 G N -1.128 107.659 108.800 -0.022 0.000 2.160 69 G HA2 -0.434 3.523 3.960 -0.005 0.000 0.251 69 G HA3 -0.434 3.523 3.960 -0.005 0.000 0.251 69 G C -0.853 174.051 174.900 0.006 0.000 1.008 69 G CA 0.338 45.434 45.100 -0.007 0.000 0.724 69 G HN -0.284 7.901 8.290 -0.028 0.089 0.514 70 Q N -1.964 117.838 119.800 0.003 0.000 2.433 70 Q HA 0.272 4.643 4.340 0.053 0.000 0.279 70 Q C -1.270 174.769 176.000 0.065 0.000 1.105 70 Q CA -2.198 53.625 55.803 0.032 0.000 0.815 70 Q CB 3.613 32.355 28.738 0.006 0.000 1.403 70 Q HN -0.660 7.600 8.270 -0.018 0.000 0.435 71 F N 1.502 121.426 119.950 -0.042 0.000 2.578 71 F HA -0.007 4.492 4.527 -0.047 0.000 0.381 71 F C 0.360 176.125 175.800 -0.059 0.000 1.069 71 F CA 1.119 59.093 58.000 -0.044 0.000 1.231 71 F CB 0.709 39.693 39.000 -0.027 0.000 1.086 71 F HN 0.361 8.807 8.300 0.244 0.000 0.564 72 G N 4.764 113.127 108.800 -0.728 0.000 3.088 72 G HA2 -0.059 3.635 3.960 -0.444 0.000 0.217 72 G HA3 -0.059 3.713 3.960 -0.562 -0.149 0.217 72 G C -1.376 173.044 174.900 -0.801 0.000 1.159 72 G CA -0.494 44.217 45.100 -0.649 0.000 0.760 72 G HN 0.314 8.178 8.290 -0.709 0.000 0.550 73 G N -1.268 106.609 108.800 -1.538 0.000 2.650 73 G HA2 -0.224 3.284 3.960 -0.753 0.000 0.686 73 G HA3 -0.224 3.677 3.960 -0.356 -0.155 0.686 73 G C -0.164 174.567 174.900 -0.282 0.000 1.205 73 G CA -0.586 44.032 45.100 -0.804 0.000 0.781 73 G HN -0.753 5.735 8.290 -2.907 0.057 0.648 74 G N -0.820 108.068 108.800 0.146 0.000 3.337 74 G HA2 0.285 4.358 3.960 0.187 0.000 0.246 74 G HA3 0.285 4.500 3.960 0.263 -0.097 0.246 74 G C -0.299 174.713 174.900 0.187 0.000 1.131 74 G CA -1.234 43.997 45.100 0.219 0.000 0.773 74 G HN 0.267 8.699 8.290 0.236 0.000 0.544 75 G N 1.509 110.464 108.800 0.259 0.000 2.531 75 G HA2 -0.448 3.836 3.960 0.207 0.000 0.274 75 G HA3 -0.448 3.617 3.960 0.007 -0.101 0.274 75 G C -0.422 174.638 174.900 0.267 0.000 1.159 75 G CA 0.186 45.393 45.100 0.179 0.000 0.969 75 G HN -0.350 8.052 8.290 0.283 0.058 0.554 76 A N 3.433 126.456 122.820 0.338 0.000 2.958 76 A HA 0.017 4.590 4.320 0.237 -0.111 0.247 76 A C -0.977 176.829 177.584 0.370 0.000 1.679 76 A CA -0.824 51.394 52.037 0.302 0.000 1.345 76 A CB -0.967 18.142 19.000 0.181 0.000 1.013 76 A HN -0.108 8.245 8.150 0.338 0.000 0.641 77 D N -2.005 118.644 120.400 0.414 0.000 2.369 77 D HA -0.013 4.957 4.640 0.550 0.000 0.211 77 D C 0.851 177.347 176.300 0.326 0.000 1.077 77 D CA -1.806 52.462 54.000 0.447 0.000 0.842 77 D CB 0.463 41.520 40.800 0.428 0.000 0.947 77 D HN -0.377 8.132 8.370 0.357 0.074 0.509 78 G N -0.602 108.363 108.800 0.276 0.000 2.168 78 G HA2 -0.410 3.735 3.960 0.220 0.000 0.263 78 G HA3 -0.410 3.815 3.960 0.350 -0.055 0.263 78 G C 1.012 176.066 174.900 0.256 0.000 0.977 78 G CA 1.027 46.292 45.100 0.275 0.000 0.659 78 G HN -0.071 8.680 8.290 0.254 -0.308 0.533 79 S N 0.504 116.370 115.700 0.276 0.000 2.400 79 S HA -0.277 4.409 4.470 0.361 0.000 0.232 79 S C 1.849 176.570 174.600 0.202 0.000 1.025 79 S CA 2.842 61.228 58.200 0.310 0.000 0.993 79 S CB -0.264 63.152 63.200 0.361 0.000 0.808 79 S HN -0.224 8.539 8.310 0.289 -0.280 0.478 80 I N 0.975 121.627 120.570 0.136 0.000 2.454 80 I HA -0.371 3.931 4.170 0.045 -0.105 0.254 80 I C 0.686 176.784 176.117 -0.033 0.000 1.156 80 I CA 2.804 64.137 61.300 0.055 0.000 1.433 80 I CB -0.079 37.965 38.000 0.073 0.000 1.082 80 I HN -0.923 7.538 8.210 0.158 -0.156 0.432 81 I N -1.673 118.839 120.570 -0.097 0.000 2.512 81 I HA -0.332 3.676 4.170 -0.271 0.000 0.247 81 I C 1.898 177.856 176.117 -0.265 0.000 1.094 81 I CA 3.115 64.226 61.300 -0.315 0.000 1.427 81 I CB 0.079 37.634 38.000 -0.741 0.000 1.149 81 I HN -0.598 7.466 8.210 -0.039 0.123 0.438 82 A N -1.064 121.700 122.820 -0.092 0.000 1.972 82 A HA -0.220 4.151 4.320 0.085 0.000 0.219 82 A C 0.581 177.930 177.584 -0.391 0.000 1.169 82 A CA 2.388 54.374 52.037 -0.084 0.000 0.635 82 A CB 0.139 19.118 19.000 -0.035 0.000 0.810 82 A HN -0.132 8.030 8.150 0.020 0.000 0.446 83 H N -3.953 115.152 119.070 0.058 0.000 2.505 83 H HA 0.505 5.179 4.556 0.024 -0.104 0.260 83 H C 0.170 175.472 175.328 -0.044 0.000 1.168 83 H CA -1.340 54.721 56.048 0.022 0.000 0.945 83 H CB -0.461 29.329 29.762 0.047 0.000 1.800 83 H HN -0.183 8.059 8.280 -0.020 0.026 0.586 84 S N 2.832 118.526 115.700 -0.010 0.000 2.400 84 S HA -0.313 4.196 4.470 -0.079 -0.087 0.232 84 S C 2.227 176.788 174.600 -0.066 0.000 1.025 84 S CA 2.881 61.044 58.200 -0.061 0.000 0.993 84 S CB -0.248 62.901 63.200 -0.084 0.000 0.808 84 S HN 0.002 8.214 8.310 -0.045 0.071 0.478 85 N N 2.570 121.255 118.700 -0.025 0.000 2.149 85 N HA -0.172 4.570 4.740 0.003 0.000 0.188 85 N C 1.041 176.522 175.510 -0.048 0.000 1.019 85 N CA 1.768 54.805 53.050 -0.022 0.000 0.857 85 N CB -0.759 37.734 38.487 0.011 0.000 0.997 85 N HN 0.639 nan 8.380 nan 0.000 0.426 86 I N 0.464 121.003 120.570 -0.052 0.000 2.339 86 I HA -0.213 3.919 4.170 -0.063 0.000 0.245 86 I C 1.900 177.775 176.117 -0.404 0.000 1.096 86 I CA 2.169 63.404 61.300 -0.108 0.000 1.408 86 I CB 0.659 38.649 38.000 -0.017 0.000 1.092 86 I HN -0.510 7.684 8.210 -0.006 0.013 0.423 87 E N -0.410 119.482 120.200 -0.514 0.000 2.216 87 E HA -0.216 2.685 4.350 -2.415 0.000 0.192 87 E C 2.305 178.428 176.600 -0.795 0.000 0.988 87 E CA 2.717 58.444 56.400 -1.122 0.000 0.834 87 E CB 0.258 29.652 29.700 -0.509 0.000 0.772 87 E HN -0.249 7.945 8.360 -0.277 0.000 0.479 88 L N -2.965 118.049 121.223 -0.347 0.000 2.610 88 L HA -0.070 4.185 4.340 -0.142 0.000 0.232 88 L C 0.148 176.946 176.870 -0.119 0.000 1.149 88 L CA 0.474 55.211 54.840 -0.172 0.000 0.872 88 L CB -0.696 41.311 42.059 -0.086 0.000 0.992 88 L HN -0.180 7.885 8.230 -0.276 0.000 0.447 89 A N -2.063 120.660 122.820 -0.162 0.000 2.218 89 A HA -0.007 4.316 4.320 0.004 0.000 0.209 89 A C 0.299 177.961 177.584 0.130 0.000 1.168 89 A CA 0.093 52.120 52.037 -0.016 0.000 0.804 89 A CB 0.290 19.296 19.000 0.010 0.000 0.834 89 A HN -0.797 7.113 8.150 -0.286 0.068 0.482 90 F N -0.973 118.986 119.950 0.015 0.000 2.459 90 F HA 0.153 4.677 4.527 -0.005 0.000 0.346 90 F C -0.455 175.343 175.800 -0.002 0.000 1.128 90 F CA -3.319 54.681 58.000 -0.001 0.000 1.268 90 F CB -1.718 37.275 39.000 -0.012 0.000 1.161 90 F HN -0.687 7.370 8.300 -0.144 0.157 0.583 91 P HA -0.270 4.182 4.420 0.053 0.000 0.217 91 P C 0.471 177.830 177.300 0.099 0.000 1.151 91 P CA 2.601 65.749 63.100 0.080 0.000 0.849 91 P CB 0.081 31.799 31.700 0.029 0.000 0.787 92 A N -6.342 116.544 122.820 0.110 0.000 2.251 92 A HA 0.050 4.460 4.320 0.149 0.000 0.209 92 A C -0.132 177.585 177.584 0.222 0.000 1.187 92 A CA 1.106 53.212 52.037 0.115 0.000 0.823 92 A CB -0.556 18.387 19.000 -0.095 0.000 0.846 92 A HN -0.048 8.142 8.150 0.113 0.027 0.486 93 N N -2.875 115.943 118.700 0.196 0.000 2.273 93 N HA 0.138 5.056 4.740 0.296 0.000 0.231 93 N C -0.417 175.161 175.510 0.114 0.000 1.134 93 N CA -1.204 51.965 53.050 0.200 0.000 0.856 93 N CB 0.952 39.522 38.487 0.139 0.000 1.068 93 N HN -0.533 7.773 8.380 0.173 0.178 0.510 94 G N -0.254 108.609 108.800 0.105 0.000 2.503 94 G HA2 0.023 4.015 3.960 0.054 0.000 0.257 94 G HA3 0.023 4.022 3.960 0.065 0.000 0.257 94 G C -0.065 174.873 174.900 0.064 0.000 1.214 94 G CA 0.201 45.342 45.100 0.069 0.000 0.839 94 G HN -0.946 7.350 8.290 0.122 0.068 0.559 95 G N 0.394 109.224 108.800 0.051 0.000 2.153 95 G HA2 -0.188 3.805 3.960 0.054 0.000 0.252 95 G HA3 -0.188 3.802 3.960 0.049 0.000 0.252 95 G C -0.474 174.449 174.900 0.038 0.000 0.994 95 G CA 0.764 45.893 45.100 0.049 0.000 0.698 95 G HN 0.245 8.563 8.290 0.046 0.000 0.521 96 L N -3.628 117.617 121.223 0.036 0.000 2.609 96 L HA 0.055 4.413 4.340 0.029 0.000 0.230 96 L C 1.096 177.979 176.870 0.021 0.000 1.064 96 L CA 0.426 55.283 54.840 0.029 0.000 0.873 96 L CB -0.010 42.068 42.059 0.031 0.000 1.139 96 L HN -0.342 7.864 8.230 0.038 0.047 0.490 97 T N 2.393 116.955 114.554 0.012 0.000 2.685 97 T HA -0.429 3.913 4.350 -0.013 0.000 0.268 97 T C 1.205 175.909 174.700 0.007 0.000 1.034 97 T CA 5.033 67.133 62.100 -0.001 0.000 1.149 97 T CB -1.006 67.859 68.868 -0.005 0.000 0.860 97 T HN 0.490 8.739 8.240 0.015 0.000 0.449 98 D N -1.738 118.673 120.400 0.019 0.000 2.144 98 D HA -0.156 4.495 4.640 0.018 0.000 0.199 98 D C 2.563 178.891 176.300 0.046 0.000 0.984 98 D CA 3.766 57.780 54.000 0.024 0.000 0.834 98 D CB -0.759 40.055 40.800 0.023 0.000 0.955 98 D HN 0.454 8.837 8.370 0.022 0.000 0.465 99 T N 3.123 117.715 114.554 0.063 0.000 2.812 99 T HA -0.157 4.315 4.350 0.202 0.000 0.264 99 T C 2.114 176.873 174.700 0.098 0.000 1.042 99 T CA 3.844 66.028 62.100 0.139 0.000 1.140 99 T CB -0.348 68.607 68.868 0.144 0.000 0.870 99 T HN -0.663 7.594 8.240 0.048 0.012 0.445 100 I N 1.390 121.973 120.570 0.022 0.000 2.194 100 I HA -0.520 3.607 4.170 -0.072 0.000 0.246 100 I C 1.694 177.763 176.117 -0.080 0.000 1.093 100 I CA 3.307 64.576 61.300 -0.052 0.000 1.355 100 I CB -1.157 36.804 38.000 -0.065 0.000 1.046 100 I HN 0.157 8.381 8.210 0.023 0.000 0.413 101 E N -1.606 118.571 120.200 -0.038 0.000 2.106 101 E HA -0.312 3.998 4.350 -0.067 0.000 0.192 101 E C 2.411 179.002 176.600 -0.015 0.000 0.984 101 E CA 2.885 59.263 56.400 -0.037 0.000 0.806 101 E CB -0.714 28.977 29.700 -0.014 0.000 0.750 101 E HN -0.192 8.158 8.360 -0.016 0.000 0.458 102 A N -0.133 122.707 122.820 0.032 0.000 1.877 102 A HA -0.224 4.133 4.320 0.061 0.000 0.216 102 A C 2.309 179.881 177.584 -0.022 0.000 1.186 102 A CA 3.016 55.095 52.037 0.071 0.000 0.620 102 A CB -0.732 18.410 19.000 0.237 0.000 0.822 102 A HN -0.609 7.572 8.150 0.052 0.000 0.443 103 L N -2.342 118.819 121.223 -0.103 0.000 2.083 103 L HA -0.438 3.748 4.340 -0.255 0.000 0.209 103 L C 2.022 178.821 176.870 -0.118 0.000 1.083 103 L CA 2.813 57.538 54.840 -0.192 0.000 0.752 103 L CB -0.577 41.344 42.059 -0.230 0.000 0.899 103 L HN -0.312 7.881 8.230 -0.061 0.000 0.433 104 R N -0.671 119.733 120.500 -0.160 0.000 2.083 104 R HA -0.468 3.684 4.340 -0.313 0.000 0.237 104 R C 1.883 178.220 176.300 0.062 0.000 1.137 104 R CA 3.662 59.670 56.100 -0.154 0.000 0.951 104 R CB -0.183 30.004 30.300 -0.188 0.000 0.851 104 R HN -0.031 8.062 8.270 -0.161 0.080 0.434 105 A N -1.653 121.182 122.820 0.025 0.000 1.902 105 A HA -0.215 4.136 4.320 0.051 0.000 0.217 105 A C 2.395 180.018 177.584 0.065 0.000 1.181 105 A CA 3.103 55.166 52.037 0.044 0.000 0.623 105 A CB -0.679 18.337 19.000 0.026 0.000 0.818 105 A HN -0.546 7.601 8.150 -0.006 0.000 0.443 106 V N -0.672 119.283 119.914 0.068 0.000 2.343 106 V HA -0.396 3.829 4.120 0.174 0.000 0.247 106 V C 2.607 178.809 176.094 0.179 0.000 1.051 106 V CA 4.173 66.553 62.300 0.134 0.000 1.036 106 V CB -0.772 31.084 31.823 0.056 0.000 0.654 106 V HN -0.488 7.722 8.190 0.033 0.000 0.451 107 G N -1.075 107.833 108.800 0.180 0.000 2.418 107 G HA2 -0.346 3.705 3.960 0.152 0.000 0.217 107 G HA3 -0.346 3.846 3.960 0.387 0.000 0.217 107 G C 1.166 176.136 174.900 0.117 0.000 1.158 107 G CA 2.202 47.433 45.100 0.219 0.000 0.771 107 G HN -0.222 8.169 8.290 0.169 0.000 0.545 108 I N 0.454 121.107 120.570 0.138 0.000 2.252 108 I HA -0.415 3.748 4.170 -0.012 0.000 0.245 108 I C 1.292 177.390 176.117 -0.031 0.000 1.102 108 I CA 3.413 64.734 61.300 0.035 0.000 1.385 108 I CB 0.093 38.132 38.000 0.064 0.000 1.064 108 I HN -0.396 7.937 8.210 0.205 0.000 0.414 109 N N -2.038 116.633 118.700 -0.048 0.000 2.188 109 N HA -0.223 4.423 4.740 -0.156 0.000 0.184 109 N C 1.534 176.859 175.510 -0.307 0.000 1.018 109 N CA 2.419 55.358 53.050 -0.186 0.000 0.858 109 N CB 0.342 38.688 38.487 -0.235 0.000 0.989 109 N HN -0.469 7.912 8.380 0.002 0.000 0.426 110 H N -4.300 114.709 119.070 -0.102 0.000 2.575 110 H HA 0.118 4.586 4.556 -0.147 0.000 0.267 110 H C 0.338 175.540 175.328 -0.209 0.000 0.966 110 H CA 0.533 56.480 56.048 -0.168 0.000 1.165 110 H CB 0.692 30.315 29.762 -0.232 0.000 1.433 110 H HN -0.530 7.759 8.280 0.015 0.000 0.544 111 G N 0.497 109.248 108.800 -0.081 0.000 2.298 111 G HA2 -0.426 3.463 3.960 -0.118 0.000 0.287 111 G HA3 -0.426 3.461 3.960 -0.122 0.000 0.287 111 G C -0.780 174.018 174.900 -0.171 0.000 1.075 111 G CA 0.437 45.463 45.100 -0.123 0.000 0.960 111 G HN -0.324 7.784 8.290 -0.059 0.146 0.502 112 V N -7.477 112.330 119.914 -0.178 0.000 2.919 112 V HA 0.490 4.497 4.120 -0.189 0.000 0.316 112 V C -1.053 175.003 176.094 -0.063 0.000 1.077 112 V CA -3.193 58.994 62.300 -0.188 0.000 0.977 112 V CB 3.238 34.797 31.823 -0.440 0.000 1.039 112 V HN -0.749 7.364 8.190 -0.129 0.000 0.441 113 S N -0.976 114.741 115.700 0.029 0.000 2.585 113 S HA 0.040 4.562 4.470 -0.157 -0.147 0.273 113 S C 1.264 175.952 174.600 0.147 0.000 1.339 113 S CA -0.095 58.104 58.200 -0.002 0.000 1.028 113 S CB 1.338 64.562 63.200 0.040 0.000 0.906 113 S HN -0.044 8.319 8.310 0.089 0.000 0.528 114 F N 2.315 122.310 119.950 0.076 0.000 2.171 114 F HA -0.146 4.421 4.527 0.068 0.000 0.300 114 F C 2.187 178.042 175.800 0.090 0.000 1.090 114 F CA 1.827 59.870 58.000 0.072 0.000 1.293 114 F CB -0.850 38.178 39.000 0.046 0.000 1.013 114 F HN 0.132 8.670 8.300 -0.090 -0.292 0.486 115 G N -1.438 107.522 108.800 0.266 0.000 2.402 115 G HA2 -0.371 3.727 3.960 0.177 0.000 0.216 115 G HA3 -0.371 3.765 3.960 0.113 -0.108 0.216 115 G C 0.978 175.946 174.900 0.114 0.000 1.162 115 G CA 1.754 46.949 45.100 0.159 0.000 0.777 115 G HN 0.218 8.655 8.290 0.245 0.000 0.539 116 D N 2.786 123.269 120.400 0.139 0.000 2.117 116 D HA -0.213 4.481 4.640 0.090 0.000 0.197 116 D C 2.099 178.578 176.300 0.300 0.000 0.987 116 D CA 3.020 57.137 54.000 0.194 0.000 0.829 116 D CB -0.236 40.763 40.800 0.332 0.000 0.961 116 D HN -0.602 7.852 8.370 0.141 0.000 0.460 117 L N 0.311 121.761 121.223 0.377 0.000 2.046 117 L HA -0.271 4.363 4.340 0.490 0.000 0.208 117 L C 1.452 178.442 176.870 0.199 0.000 1.077 117 L CA 3.291 58.347 54.840 0.361 0.000 0.747 117 L CB -0.181 42.063 42.059 0.309 0.000 0.896 117 L HN -0.133 8.240 8.230 0.366 0.077 0.432 118 I N -1.305 119.355 120.570 0.150 0.000 2.226 118 I HA -0.635 3.560 4.170 0.041 0.000 0.245 118 I C 2.074 178.239 176.117 0.081 0.000 1.100 118 I CA 4.068 65.419 61.300 0.084 0.000 1.374 118 I CB -0.453 37.598 38.000 0.086 0.000 1.057 118 I HN -0.430 7.887 8.210 0.178 0.000 0.413 119 Q N -1.476 118.390 119.800 0.111 0.000 2.079 119 Q HA -0.327 4.055 4.340 0.070 0.000 0.200 119 Q C 2.673 178.713 176.000 0.067 0.000 0.974 119 Q CA 2.679 58.547 55.803 0.109 0.000 0.840 119 Q CB -0.392 28.427 28.738 0.136 0.000 0.898 119 Q HN -0.705 7.642 8.270 0.129 0.000 0.430 120 F N 1.406 121.222 119.950 -0.224 0.000 2.102 120 F HA -0.426 3.472 4.527 -1.050 0.000 0.298 120 F C 0.947 176.552 175.800 -0.326 0.000 1.105 120 F CA 3.093 60.672 58.000 -0.702 0.000 1.239 120 F CB -0.110 38.275 39.000 -1.025 0.000 0.991 120 F HN 0.068 8.461 8.300 0.156 0.000 0.474 121 A N -1.989 120.782 122.820 -0.083 0.000 1.972 121 A HA -0.368 3.898 4.320 -0.089 0.000 0.219 121 A C 2.120 179.699 177.584 -0.009 0.000 1.169 121 A CA 3.316 55.316 52.037 -0.060 0.000 0.635 121 A CB -1.058 17.888 19.000 -0.090 0.000 0.810 121 A HN 0.425 8.608 8.150 0.054 0.000 0.446 122 T N 2.252 116.782 114.554 -0.039 0.000 2.708 122 T HA -0.359 4.011 4.350 0.033 0.000 0.266 122 T C 1.864 176.492 174.700 -0.120 0.000 1.037 122 T CA 5.417 67.502 62.100 -0.026 0.000 1.146 122 T CB -0.461 68.403 68.868 -0.007 0.000 0.865 122 T HN -0.445 7.754 8.240 -0.037 0.019 0.435 123 A N 1.189 123.884 122.820 -0.209 0.000 1.902 123 A HA -0.370 3.836 4.320 -0.189 0.000 0.217 123 A C 1.643 179.025 177.584 -0.337 0.000 1.181 123 A CA 3.374 55.256 52.037 -0.258 0.000 0.623 123 A CB -0.525 18.314 19.000 -0.269 0.000 0.818 123 A HN -0.364 7.657 8.150 -0.215 0.000 0.443 124 V N -1.568 118.064 119.914 -0.470 0.000 2.358 124 V HA -0.386 3.489 4.120 -0.409 0.000 0.246 124 V C 2.485 178.359 176.094 -0.366 0.000 1.047 124 V CA 3.862 65.912 62.300 -0.417 0.000 1.035 124 V CB -0.769 30.787 31.823 -0.446 0.000 0.658 124 V HN 0.130 7.979 8.190 -0.569 0.000 0.452 125 G N -1.940 106.655 108.800 -0.342 0.000 2.421 125 G HA2 -0.304 2.937 3.960 -1.199 0.000 0.216 125 G HA3 -0.304 3.424 3.960 -0.388 0.000 0.216 125 G C 1.953 176.631 174.900 -0.370 0.000 1.171 125 G CA 1.883 46.623 45.100 -0.599 0.000 0.775 125 G HN -0.085 8.101 8.290 -0.173 0.000 0.543 126 M N 1.768 121.223 119.600 -0.242 0.000 2.144 126 M HA -0.311 4.034 4.480 -0.225 0.000 0.260 126 M C 2.484 178.647 176.300 -0.228 0.000 1.067 126 M CA 1.813 56.976 55.300 -0.228 0.000 1.095 126 M CB -1.406 31.068 32.600 -0.210 0.000 1.365 126 M HN 0.103 8.271 8.290 -0.204 0.000 0.406 127 S N -0.956 114.607 115.700 -0.229 0.000 2.507 127 S HA -0.233 4.145 4.470 -0.153 0.000 0.235 127 S C 1.299 175.797 174.600 -0.170 0.000 0.988 127 S CA 2.677 60.768 58.200 -0.182 0.000 0.944 127 S CB -0.903 62.192 63.200 -0.175 0.000 0.762 127 S HN -0.156 7.890 8.310 -0.252 0.112 0.526 128 N N -0.735 117.830 118.700 -0.225 0.000 2.412 128 N HA 0.056 4.707 4.740 -0.148 0.000 0.184 128 N C -1.105 174.323 175.510 -0.138 0.000 1.101 128 N CA 0.295 53.229 53.050 -0.193 0.000 0.881 128 N CB 0.989 39.305 38.487 -0.285 0.000 0.969 128 N HN -0.512 7.519 8.380 -0.282 0.179 0.459 129 c N 0.108 118.630 118.600 -0.129 0.000 2.251 129 c HA 0.361 4.893 4.570 -0.063 0.000 0.323 129 c C -2.351 171.719 174.090 -0.033 0.000 1.241 129 c CA -2.619 53.665 56.329 -0.076 0.000 1.601 129 c CB -1.473 40.992 42.510 -0.076 0.000 2.251 129 c HN -0.622 7.343 8.230 -0.152 0.173 0.488 130 P HA -0.224 4.384 4.420 -0.001 -0.189 0.263 130 P C 0.257 177.590 177.300 0.055 0.000 1.175 130 P CA 0.767 63.873 63.100 0.010 0.000 0.761 130 P CB 0.511 32.215 31.700 0.008 0.000 0.794 131 G N 2.438 111.272 108.800 0.056 0.000 2.217 131 G HA2 -0.456 3.552 3.960 0.079 0.000 0.246 131 G HA3 -0.456 3.703 3.960 0.129 -0.121 0.246 131 G C 0.161 175.168 174.900 0.177 0.000 0.990 131 G CA 0.393 45.558 45.100 0.109 0.000 0.627 131 G HN -0.086 8.223 8.290 0.032 0.000 0.522 132 S N 3.008 118.749 115.700 0.069 0.000 2.572 132 S HA 0.391 4.863 4.470 0.003 0.000 0.279 132 S C -1.370 173.200 174.600 -0.049 0.000 1.341 132 S CA -1.908 56.225 58.200 -0.112 0.000 1.043 132 S CB 0.051 63.090 63.200 -0.268 0.000 0.887 132 S HN -0.161 nan 8.310 nan 0.000 0.516 133 P HA 0.072 4.503 4.420 0.018 0.000 0.275 133 P C -1.104 176.163 177.300 -0.054 0.000 1.266 133 P CA -0.557 62.539 63.100 -0.006 0.000 0.793 133 P CB 0.930 32.660 31.700 0.051 0.000 1.074 134 R N -1.151 119.328 120.500 -0.035 0.000 2.205 134 R HA -0.003 4.295 4.340 -0.069 0.000 0.342 134 R C -0.435 175.834 176.300 -0.052 0.000 1.058 134 R CA -0.623 55.447 56.100 -0.049 0.000 0.904 134 R CB 0.094 30.377 30.300 -0.028 0.000 1.089 134 R HN 0.225 8.486 8.270 -0.016 0.000 0.471 135 L N 5.057 126.235 121.223 -0.076 0.000 2.426 135 L HA -0.072 4.222 4.340 -0.077 0.000 0.271 135 L C 0.153 176.996 176.870 -0.044 0.000 1.169 135 L CA -0.458 54.336 54.840 -0.077 0.000 0.836 135 L CB 0.793 42.788 42.059 -0.107 0.000 1.112 135 L HN 0.275 8.448 8.230 -0.096 0.000 0.465 136 E N 1.495 121.672 120.200 -0.040 0.000 2.415 136 E HA -0.294 4.049 4.350 -0.012 0.000 0.262 136 E C -1.000 175.620 176.600 0.034 0.000 1.038 136 E CA 0.880 57.267 56.400 -0.022 0.000 0.921 136 E CB 0.734 30.404 29.700 -0.051 0.000 0.950 136 E HN 0.011 8.338 8.360 -0.055 0.000 0.438 137 F N 7.426 127.297 119.950 -0.131 0.000 2.539 137 F HA 0.314 4.737 4.527 -0.173 0.000 0.328 137 F C -2.657 173.029 175.800 -0.190 0.000 1.148 137 F CA -1.190 56.709 58.000 -0.168 0.000 0.940 137 F CB 2.825 41.729 39.000 -0.160 0.000 1.194 137 F HN 0.087 8.411 8.300 0.039 0.000 0.438 138 L N 7.079 127.677 121.223 -1.043 0.000 2.334 138 L HA 0.738 4.779 4.340 -0.771 -0.164 0.276 138 L C -1.344 174.762 176.870 -1.273 0.000 1.014 138 L CA -1.631 52.654 54.840 -0.923 0.000 0.815 138 L CB 3.141 44.920 42.059 -0.467 0.000 1.268 138 L HN -0.036 7.707 8.230 -0.811 0.000 0.428 139 T N 0.142 114.185 114.554 -0.851 0.000 2.908 139 T HA 0.268 4.383 4.350 -0.535 -0.086 0.290 139 T C -0.676 173.895 174.700 -0.214 0.000 1.034 139 T CA -0.848 60.948 62.100 -0.506 0.000 1.010 139 T CB 2.446 71.173 68.868 -0.235 0.000 1.068 139 T HN 0.303 8.156 8.240 -0.646 0.000 0.481 140 G N 5.565 114.309 108.800 -0.092 0.000 2.273 140 G HA2 -0.181 3.780 3.960 0.002 0.000 0.162 140 G HA3 -0.181 3.740 3.960 -0.065 0.000 0.162 140 G C -0.790 174.068 174.900 -0.070 0.000 1.006 140 G CA 0.023 45.092 45.100 -0.051 0.000 0.704 140 G HN 0.458 9.229 8.290 -0.041 -0.505 0.487 141 R N 0.934 121.328 120.500 -0.177 0.000 2.489 141 R HA -0.018 4.170 4.340 -0.253 0.000 0.287 141 R C -0.322 175.976 176.300 -0.004 0.000 1.053 141 R CA 0.205 56.139 56.100 -0.278 0.000 1.036 141 R CB 0.300 30.176 30.300 -0.707 0.000 0.966 141 R HN -0.509 8.024 8.270 -0.201 -0.384 0.432 142 S N 2.387 118.188 115.700 0.170 0.000 2.563 142 S HA -0.097 4.428 4.470 0.092 0.000 0.284 142 S C 0.673 175.349 174.600 0.127 0.000 1.331 142 S CA 0.521 58.811 58.200 0.150 0.000 1.047 142 S CB 1.053 64.367 63.200 0.190 0.000 0.859 142 S HN 0.193 8.688 8.310 0.307 0.000 0.514 143 N N 3.216 121.946 118.700 0.049 0.000 2.515 143 N HA -0.119 4.627 4.740 0.008 0.000 0.185 143 N C -0.177 175.353 175.510 0.033 0.000 1.109 143 N CA 0.807 53.851 53.050 -0.009 0.000 0.903 143 N CB 0.411 38.814 38.487 -0.139 0.000 0.969 143 N HN 0.202 8.598 8.380 0.027 0.000 0.450 144 S N 0.557 116.307 115.700 0.083 0.000 2.531 144 S HA 0.064 4.582 4.470 0.080 0.000 0.279 144 S C -1.368 173.337 174.600 0.176 0.000 1.305 144 S CA 0.880 59.143 58.200 0.105 0.000 1.058 144 S CB 0.354 63.608 63.200 0.090 0.000 0.899 144 S HN -0.593 7.700 8.310 0.091 0.072 0.493 145 S N 3.827 119.657 115.700 0.216 0.000 2.570 145 S HA 0.193 4.814 4.470 0.252 0.000 0.270 145 S C -1.810 172.990 174.600 0.334 0.000 1.149 145 S CA -0.899 57.477 58.200 0.292 0.000 0.837 145 S CB 2.366 65.784 63.200 0.362 0.000 1.124 145 S HN 0.062 8.496 8.310 0.206 0.000 0.465 146 Q N 0.497 120.398 119.800 0.167 0.000 2.204 146 Q HA 0.376 4.569 4.340 -0.244 0.000 0.254 146 Q C -2.273 173.677 176.000 -0.084 0.000 0.981 146 Q CA -2.805 52.922 55.803 -0.128 0.000 0.897 146 Q CB 0.867 29.329 28.738 -0.459 0.000 1.273 146 Q HN 0.245 8.640 8.270 0.208 0.000 0.464 147 P HA -0.142 4.277 4.420 -0.002 0.000 0.268 147 P C -0.610 176.842 177.300 0.255 0.000 1.205 147 P CA -0.337 62.717 63.100 -0.077 0.000 0.771 147 P CB 0.453 32.077 31.700 -0.127 0.000 0.858 148 S N 4.579 120.463 115.700 0.306 0.000 2.558 148 S HA -0.030 4.600 4.470 0.266 0.000 0.291 148 S C -1.103 173.680 174.600 0.306 0.000 1.306 148 S CA -1.129 57.259 58.200 0.313 0.000 1.056 148 S CB -0.338 63.074 63.200 0.353 0.000 0.836 148 S HN -0.028 8.803 8.310 0.285 -0.350 0.504 149 P HA 0.164 4.645 4.420 0.102 0.000 0.268 149 P C -1.895 175.332 177.300 -0.122 0.000 1.208 149 P CA -1.211 61.917 63.100 0.048 0.000 0.777 149 P CB -0.685 30.987 31.700 -0.047 0.000 0.875 150 P HA -0.059 3.381 4.420 -1.634 0.000 0.274 150 P C -1.177 175.820 177.300 -0.506 0.000 1.256 150 P CA -0.091 62.564 63.100 -0.741 0.000 0.795 150 P CB 0.762 32.226 31.700 -0.393 0.000 1.038 151 S N -3.855 111.511 115.700 -0.557 0.000 3.490 151 S HA -0.215 4.094 4.470 -0.268 0.000 0.301 151 S C 0.353 174.822 174.600 -0.220 0.000 1.233 151 S CA 1.367 59.389 58.200 -0.297 0.000 0.914 151 S CB -1.149 61.938 63.200 -0.188 0.000 1.047 151 S HN 0.221 8.054 8.310 -0.796 0.000 0.602 152 L N -1.577 119.498 121.223 -0.246 0.000 2.616 152 L HA 0.230 4.505 4.340 -0.109 0.000 0.229 152 L C -1.175 175.614 176.870 -0.137 0.000 1.110 152 L CA -0.320 54.433 54.840 -0.145 0.000 0.884 152 L CB 0.773 42.763 42.059 -0.116 0.000 1.115 152 L HN 0.009 8.000 8.230 -0.345 0.032 0.481 153 I N -1.265 119.186 120.570 -0.199 0.000 2.315 153 I HA 0.118 4.101 4.170 -0.312 0.000 0.291 153 I C -2.202 173.838 176.117 -0.129 0.000 1.006 153 I CA -3.143 57.992 61.300 -0.274 0.000 1.265 153 I CB 0.000 37.713 38.000 -0.478 0.000 1.387 153 I HN -0.616 7.460 8.210 -0.222 0.000 0.475 154 P HA -0.061 4.527 4.420 0.076 -0.122 0.265 154 P C -0.885 176.485 177.300 0.116 0.000 1.187 154 P CA -0.254 62.905 63.100 0.098 0.000 0.766 154 P CB 0.432 32.264 31.700 0.219 0.000 0.820 155 G N 1.104 109.980 108.800 0.126 0.000 2.454 155 G HA2 0.362 4.435 3.960 0.189 0.000 0.329 155 G HA3 0.362 4.431 3.960 0.182 0.000 0.329 155 G C -0.931 174.069 174.900 0.167 0.000 1.177 155 G CA -2.314 42.889 45.100 0.172 0.000 0.951 155 G HN -0.180 8.520 8.290 0.111 -0.344 0.485 156 P HA 0.076 4.575 4.420 0.132 0.000 0.229 156 P C 0.138 177.416 177.300 -0.036 0.000 1.160 156 P CA 0.794 63.951 63.100 0.094 0.000 0.777 156 P CB 0.832 32.592 31.700 0.101 0.000 0.814 157 G N -3.537 105.217 108.800 -0.076 0.000 3.042 157 G HA2 -0.021 3.841 3.960 -0.164 0.000 0.212 157 G HA3 -0.021 3.853 3.960 -0.143 0.000 0.212 157 G C -0.519 174.385 174.900 0.007 0.000 1.166 157 G CA -0.950 44.085 45.100 -0.108 0.000 0.767 157 G HN -0.060 8.198 8.290 0.011 0.039 0.546 158 N N 1.588 120.317 118.700 0.049 0.000 2.508 158 N HA 0.024 4.794 4.740 0.051 0.000 0.264 158 N C -0.667 174.862 175.510 0.031 0.000 1.216 158 N CA 0.066 53.147 53.050 0.051 0.000 0.943 158 N CB 1.349 39.878 38.487 0.070 0.000 1.113 158 N HN -0.643 7.612 8.380 0.066 0.165 0.447 159 T N -4.108 110.461 114.554 0.025 0.000 2.802 159 T HA -0.001 4.350 4.350 0.002 0.000 0.305 159 T C 1.050 175.763 174.700 0.023 0.000 1.053 159 T CA -0.462 61.646 62.100 0.014 0.000 1.058 159 T CB 1.780 70.654 68.868 0.010 0.000 0.988 159 T HN -0.137 8.120 8.240 0.028 0.000 0.539 160 V N 1.553 121.473 119.914 0.011 0.000 2.332 160 V HA -0.396 3.744 4.120 0.033 0.000 0.248 160 V C 1.772 177.886 176.094 0.033 0.000 1.055 160 V CA 4.373 66.686 62.300 0.021 0.000 1.038 160 V CB -0.421 31.401 31.823 -0.000 0.000 0.651 160 V HN 0.632 8.821 8.190 -0.002 0.000 0.450 161 T N 0.305 114.874 114.554 0.024 0.000 2.665 161 T HA -0.375 3.994 4.350 0.030 0.000 0.268 161 T C 1.473 176.195 174.700 0.037 0.000 1.035 161 T CA 4.024 66.140 62.100 0.028 0.000 1.151 161 T CB -0.755 68.124 68.868 0.018 0.000 0.862 161 T HN 0.055 8.305 8.240 0.016 0.000 0.438 162 A N -0.362 122.480 122.820 0.036 0.000 1.902 162 A HA -0.287 4.055 4.320 0.036 0.000 0.217 162 A C 1.494 179.114 177.584 0.060 0.000 1.181 162 A CA 2.654 54.715 52.037 0.042 0.000 0.623 162 A CB 0.036 19.059 19.000 0.038 0.000 0.818 162 A HN -0.520 7.649 8.150 0.031 0.000 0.443 163 I N -1.299 119.314 120.570 0.071 0.000 2.179 163 I HA -0.545 3.691 4.170 0.110 0.000 0.242 163 I C 2.031 178.213 176.117 0.109 0.000 1.088 163 I CA 4.556 65.916 61.300 0.100 0.000 1.357 163 I CB -0.019 38.044 38.000 0.105 0.000 1.051 163 I HN -0.360 7.887 8.210 0.063 0.000 0.409 164 L N 0.093 121.371 121.223 0.092 0.000 2.093 164 L HA -0.454 3.959 4.340 0.120 0.000 0.208 164 L C 2.579 179.507 176.870 0.096 0.000 1.085 164 L CA 2.840 57.740 54.840 0.100 0.000 0.755 164 L CB -1.174 40.933 42.059 0.081 0.000 0.904 164 L HN 0.145 8.422 8.230 0.077 0.000 0.435 165 D N 0.778 121.222 120.400 0.073 0.000 2.097 165 D HA -0.198 4.444 4.640 0.003 0.000 0.195 165 D C 2.065 178.407 176.300 0.070 0.000 0.989 165 D CA 2.114 56.150 54.000 0.059 0.000 0.827 165 D CB 0.116 40.939 40.800 0.039 0.000 0.966 165 D HN 0.060 nan 8.370 nan 0.000 0.456 166 R N -0.369 120.179 120.500 0.081 0.000 2.062 166 R HA -0.256 4.119 4.340 0.059 0.000 0.231 166 R C 2.145 178.534 176.300 0.149 0.000 1.136 166 R CA 1.889 58.042 56.100 0.089 0.000 0.948 166 R CB -0.112 30.239 30.300 0.085 0.000 0.845 166 R HN -0.416 7.901 8.270 0.080 0.000 0.430 167 M N -2.153 117.569 119.600 0.203 0.000 2.159 167 M HA -0.254 4.472 4.480 0.411 0.000 0.263 167 M C 2.338 178.822 176.300 0.307 0.000 1.063 167 M CA 2.333 57.828 55.300 0.326 0.000 1.110 167 M CB -1.064 31.713 32.600 0.296 0.000 1.374 167 M HN 0.050 8.447 8.290 0.177 0.000 0.411 168 G N -1.047 107.867 108.800 0.189 0.000 2.418 168 G HA2 -0.404 3.863 3.960 0.143 0.000 0.217 168 G HA3 -0.404 3.670 3.960 0.102 -0.053 0.217 168 G C 0.798 175.744 174.900 0.077 0.000 1.158 168 G CA 1.927 47.103 45.100 0.128 0.000 0.771 168 G HN 0.141 8.416 8.290 0.165 0.115 0.545 169 D N 1.469 121.909 120.400 0.066 0.000 2.104 169 D HA -0.312 4.328 4.640 0.000 0.000 0.194 169 D C 1.677 177.995 176.300 0.030 0.000 0.994 169 D CA 2.444 56.456 54.000 0.021 0.000 0.830 169 D CB -0.181 40.618 40.800 -0.001 0.000 0.959 169 D HN -0.507 7.910 8.370 0.078 0.000 0.452 170 A N -4.102 118.781 122.820 0.105 0.000 1.972 170 A HA -0.239 4.225 4.320 0.240 0.000 0.219 170 A C 0.110 177.696 177.584 0.003 0.000 1.169 170 A CA 1.606 53.751 52.037 0.180 0.000 0.635 170 A CB 0.469 19.666 19.000 0.328 0.000 0.810 170 A HN -0.460 7.773 8.150 0.139 0.000 0.446 171 G N -6.353 102.363 108.800 -0.141 0.000 2.559 171 G HA2 -0.112 3.765 3.960 -0.138 0.000 0.202 171 G HA3 -0.112 3.609 3.960 -0.398 0.000 0.202 171 G C -0.909 173.757 174.900 -0.390 0.000 0.992 171 G CA -0.461 44.460 45.100 -0.298 0.000 0.764 171 G HN -0.590 7.564 8.290 -0.024 0.121 0.525 172 F N 2.195 122.198 119.950 0.088 0.000 2.420 172 F HA 0.459 5.215 4.527 0.061 -0.192 0.342 172 F C 0.092 175.931 175.800 0.065 0.000 1.113 172 F CA -1.830 56.214 58.000 0.073 0.000 1.059 172 F CB 1.367 40.417 39.000 0.083 0.000 1.128 172 F HN -0.376 7.944 8.300 0.034 0.000 0.475 173 S N 3.529 119.366 115.700 0.229 0.000 2.600 173 S HA 0.266 4.812 4.470 0.127 0.000 0.265 173 S C -0.313 174.384 174.600 0.162 0.000 1.325 173 S CA -1.163 57.130 58.200 0.155 0.000 1.002 173 S CB -0.764 62.504 63.200 0.113 0.000 0.921 173 S HN 0.141 8.865 8.310 0.225 -0.279 0.554 174 P HA -0.281 4.215 4.420 0.128 0.000 0.216 174 P C 1.129 178.502 177.300 0.122 0.000 1.153 174 P CA 2.978 66.150 63.100 0.119 0.000 0.858 174 P CB -0.156 31.602 31.700 0.096 0.000 0.789 175 D N -4.406 116.057 120.400 0.105 0.000 2.123 175 D HA -0.282 4.416 4.640 0.097 0.000 0.196 175 D C 2.375 178.730 176.300 0.093 0.000 0.992 175 D CA 3.141 57.197 54.000 0.093 0.000 0.833 175 D CB -0.714 40.128 40.800 0.070 0.000 0.954 175 D HN 0.290 8.719 8.370 0.097 0.000 0.455 176 E N 0.148 120.417 120.200 0.114 0.000 2.204 176 E HA -0.239 4.309 4.350 0.082 -0.149 0.194 176 E C 2.471 179.080 176.600 0.015 0.000 0.989 176 E CA 2.625 59.088 56.400 0.106 0.000 0.824 176 E CB -0.014 29.836 29.700 0.249 0.000 0.756 176 E HN -0.722 7.718 8.360 0.132 0.000 0.477 177 V N 0.679 120.622 119.914 0.048 0.000 2.295 177 V HA -0.411 3.629 4.120 -0.134 0.000 0.246 177 V C 1.817 177.935 176.094 0.040 0.000 1.049 177 V CA 4.435 66.732 62.300 -0.005 0.000 1.024 177 V CB -0.772 31.098 31.823 0.079 0.000 0.648 177 V HN -0.417 7.731 8.190 0.106 0.106 0.447 178 V N -0.504 119.491 119.914 0.136 0.000 2.343 178 V HA -0.513 3.783 4.120 0.293 0.000 0.247 178 V C 1.596 177.755 176.094 0.108 0.000 1.051 178 V CA 3.977 66.397 62.300 0.199 0.000 1.036 178 V CB -1.061 30.910 31.823 0.248 0.000 0.654 178 V HN -0.397 7.877 8.190 0.141 0.000 0.451 179 D N -1.457 118.982 120.400 0.064 0.000 2.117 179 D HA -0.208 4.480 4.640 0.080 0.000 0.197 179 D C 3.019 179.404 176.300 0.141 0.000 0.987 179 D CA 2.701 56.752 54.000 0.084 0.000 0.829 179 D CB -0.292 40.545 40.800 0.062 0.000 0.961 179 D HN -0.385 7.943 8.370 0.059 0.077 0.460 180 L N -0.356 120.869 121.223 0.003 0.000 2.131 180 L HA -0.313 4.059 4.340 0.054 0.000 0.210 180 L C 1.888 178.727 176.870 -0.052 0.000 1.092 180 L CA 2.755 57.561 54.840 -0.057 0.000 0.759 180 L CB -0.141 41.702 42.059 -0.359 0.000 0.903 180 L HN -0.110 8.085 8.230 -0.058 0.000 0.435 181 L N -3.466 117.673 121.223 -0.141 0.000 2.633 181 L HA -0.261 3.762 4.340 -0.528 0.000 0.235 181 L C 1.367 177.993 176.870 -0.406 0.000 1.163 181 L CA 0.966 55.597 54.840 -0.348 0.000 0.859 181 L CB -1.078 40.842 42.059 -0.233 0.000 0.973 181 L HN -0.445 7.711 8.230 -0.084 0.024 0.451 182 A N 0.456 123.205 122.820 -0.120 0.000 2.024 182 A HA -0.340 3.775 4.320 -0.341 0.000 0.220 182 A C 1.282 178.656 177.584 -0.350 0.000 1.164 182 A CA 2.568 54.460 52.037 -0.241 0.000 0.643 182 A CB -0.984 17.947 19.000 -0.115 0.000 0.806 182 A HN -0.414 7.715 8.150 0.067 0.062 0.451 183 A N -1.283 121.407 122.820 -0.216 0.000 2.024 183 A HA -0.371 3.911 4.320 -0.064 0.000 0.220 183 A C 1.655 179.151 177.584 -0.146 0.000 1.164 183 A CA 2.406 54.385 52.037 -0.096 0.000 0.643 183 A CB -0.751 18.282 19.000 0.055 0.000 0.806 183 A HN -0.448 7.613 8.150 -0.101 0.028 0.451 184 H N -3.273 115.416 119.070 -0.634 0.000 2.563 184 H HA -0.153 4.092 4.556 -0.518 0.000 0.272 184 H C 0.893 175.762 175.328 -0.765 0.000 1.005 184 H CA 1.026 56.553 56.048 -0.869 0.000 1.171 184 H CB -0.240 28.620 29.762 -1.503 0.000 1.351 184 H HN -0.252 7.556 8.280 -0.552 0.141 0.602 185 S N -1.617 113.813 115.700 -0.450 0.000 2.515 185 S HA -0.131 4.431 4.470 -0.132 -0.171 0.231 185 S C -0.142 174.398 174.600 -0.098 0.000 0.987 185 S CA 1.941 60.006 58.200 -0.225 0.000 0.936 185 S CB 0.351 63.343 63.200 -0.347 0.000 0.766 185 S HN -0.417 7.417 8.310 -0.493 0.181 0.528 186 L N 0.442 121.618 121.223 -0.079 0.000 2.732 186 L HA 0.367 4.859 4.340 -0.024 -0.166 0.246 186 L C -2.270 174.557 176.870 -0.071 0.000 1.407 186 L CA -0.945 53.875 54.840 -0.034 0.000 0.861 186 L CB -0.003 42.064 42.059 0.013 0.000 1.161 186 L HN -0.575 7.415 8.230 -0.114 0.171 0.510 187 A N -2.095 120.664 122.820 -0.101 0.000 2.574 187 A HA 0.285 4.520 4.320 -0.142 0.000 0.297 187 A C -2.252 175.243 177.584 -0.149 0.000 1.062 187 A CA -0.490 51.453 52.037 -0.157 0.000 0.686 187 A CB 2.720 21.549 19.000 -0.285 0.000 1.285 187 A HN -0.530 7.572 8.150 -0.081 0.000 0.403 188 S N -0.846 114.742 115.700 -0.188 0.000 2.685 188 S HA 0.688 5.189 4.470 -0.166 -0.130 0.282 188 S C -1.187 173.239 174.600 -0.289 0.000 1.159 188 S CA -1.277 56.799 58.200 -0.207 0.000 0.833 188 S CB 3.705 66.781 63.200 -0.207 0.000 1.151 188 S HN 0.157 8.349 8.310 -0.197 0.000 0.485 189 Q N -0.899 118.677 119.800 -0.374 0.000 2.345 189 Q HA 0.391 4.522 4.340 -0.348 0.000 0.268 189 Q C 0.019 175.769 176.000 -0.417 0.000 1.054 189 Q CA -1.133 54.407 55.803 -0.439 0.000 0.835 189 Q CB 2.307 30.599 28.738 -0.743 0.000 1.339 189 Q HN -0.035 8.021 8.270 -0.355 0.000 0.447 190 E N 1.466 121.467 120.200 -0.333 0.000 2.421 190 E HA 0.062 4.200 4.350 -0.354 0.000 0.209 190 E C 0.834 177.413 176.600 -0.034 0.000 0.871 190 E CA 0.392 56.632 56.400 -0.266 0.000 1.064 190 E CB 1.373 30.908 29.700 -0.274 0.000 1.075 190 E HN 0.454 8.654 8.360 -0.266 0.000 0.513 191 G N -1.858 106.912 108.800 -0.051 0.000 3.044 191 G HA2 0.159 4.154 3.960 0.059 0.000 0.223 191 G HA3 0.159 4.139 3.960 0.034 0.000 0.223 191 G C 0.573 175.499 174.900 0.045 0.000 1.123 191 G CA 0.294 45.409 45.100 0.025 0.000 0.765 191 G HN -0.216 8.010 8.290 -0.106 0.000 0.546 192 L N -1.070 120.147 121.223 -0.010 0.000 2.253 192 L HA 0.134 4.598 4.340 0.206 0.000 0.205 192 L C -1.045 175.914 176.870 0.148 0.000 1.078 192 L CA 0.806 55.704 54.840 0.097 0.000 0.805 192 L CB 1.213 43.288 42.059 0.027 0.000 0.963 192 L HN -0.539 7.855 8.230 -0.118 -0.235 0.459 193 N N -4.104 114.641 118.700 0.075 0.000 2.558 193 N HA 0.131 4.966 4.740 0.157 0.000 0.285 193 N C -0.272 175.303 175.510 0.109 0.000 1.112 193 N CA -0.592 52.546 53.050 0.146 0.000 0.857 193 N CB 1.640 40.288 38.487 0.268 0.000 1.376 193 N HN -0.396 8.275 8.380 -0.036 -0.312 0.526 194 S N 4.198 119.967 115.700 0.114 0.000 2.474 194 S HA -0.093 4.468 4.470 0.152 0.000 0.235 194 S C 0.885 175.555 174.600 0.116 0.000 0.997 194 S CA 1.841 60.113 58.200 0.119 0.000 0.949 194 S CB -0.123 63.129 63.200 0.086 0.000 0.766 194 S HN 0.509 8.886 8.310 0.111 0.000 0.517 195 A N 1.086 123.971 122.820 0.109 0.000 2.178 195 A HA 0.127 4.496 4.320 0.080 0.000 0.211 195 A C 0.353 178.005 177.584 0.113 0.000 1.157 195 A CA 0.614 52.708 52.037 0.096 0.000 0.780 195 A CB 0.361 19.410 19.000 0.082 0.000 0.828 195 A HN -0.048 8.109 8.150 0.114 0.061 0.476 196 I N -5.546 115.106 120.570 0.136 0.000 2.956 196 I HA 0.308 4.558 4.170 0.133 0.000 0.311 196 I C -1.303 174.894 176.117 0.134 0.000 1.436 196 I CA -2.110 59.272 61.300 0.135 0.000 0.872 196 I CB -0.072 38.011 38.000 0.137 0.000 2.099 196 I HN -0.854 7.396 8.210 0.137 0.042 0.624 197 F N 5.313 125.266 119.950 0.005 0.000 2.602 197 F HA -0.326 4.181 4.527 -0.035 0.000 0.385 197 F C 0.187 175.975 175.800 -0.021 0.000 1.063 197 F CA 2.307 60.297 58.000 -0.018 0.000 1.233 197 F CB 0.301 39.295 39.000 -0.011 0.000 1.067 197 F HN -0.016 8.462 8.300 0.297 0.000 0.564 198 R N 1.069 121.250 120.500 -0.531 0.000 3.770 198 R HA -0.490 3.636 4.340 -0.462 -0.063 0.305 198 R C -0.751 175.454 176.300 -0.159 0.000 1.184 198 R CA 0.787 56.642 56.100 -0.408 0.000 0.823 198 R CB -2.783 27.287 30.300 -0.382 0.000 1.285 198 R HN 0.073 7.932 8.270 -0.684 0.000 0.499 199 S N -0.967 114.673 115.700 -0.100 0.000 2.546 199 S HA 0.281 4.772 4.470 0.034 0.000 0.290 199 S C -1.185 173.411 174.600 -0.005 0.000 1.262 199 S CA -1.058 57.145 58.200 0.004 0.000 1.083 199 S CB 0.059 63.311 63.200 0.087 0.000 0.859 199 S HN -0.601 7.587 8.310 -0.120 0.050 0.495 200 P HA 0.133 4.702 4.420 -0.026 -0.164 0.274 200 P C 0.439 177.790 177.300 0.085 0.000 1.237 200 P CA -0.510 62.606 63.100 0.027 0.000 0.793 200 P CB 0.864 32.596 31.700 0.052 0.000 0.977 201 L N -2.774 118.486 121.223 0.062 0.000 2.418 201 L HA 0.266 4.914 4.340 0.188 -0.194 0.218 201 L C 0.089 177.088 176.870 0.215 0.000 1.125 201 L CA 0.515 55.445 54.840 0.149 0.000 0.835 201 L CB 0.410 42.524 42.059 0.091 0.000 0.953 201 L HN 0.248 8.374 8.230 0.002 0.105 0.454 202 D N -4.969 115.532 120.400 0.168 0.000 2.579 202 D HA 0.174 5.226 4.640 0.201 -0.292 0.257 202 D C -0.030 176.370 176.300 0.166 0.000 1.176 202 D CA -2.270 51.841 54.000 0.185 0.000 0.914 202 D CB 2.536 43.450 40.800 0.190 0.000 1.431 202 D HN -0.775 7.664 8.370 0.115 0.000 0.454 203 S N -2.915 112.902 115.700 0.196 0.000 2.555 203 S HA -0.155 4.421 4.470 0.177 0.000 0.230 203 S C 0.574 175.215 174.600 0.069 0.000 0.978 203 S CA 1.619 59.909 58.200 0.150 0.000 0.934 203 S CB 0.219 63.484 63.200 0.109 0.000 0.766 203 S HN -0.009 8.795 8.310 0.215 -0.365 0.533 204 T N -1.875 112.713 114.554 0.057 0.000 3.504 204 T HA 0.571 4.933 4.350 0.020 0.000 0.286 204 T C -0.958 173.752 174.700 0.015 0.000 1.530 204 T CA -2.785 59.330 62.100 0.025 0.000 1.652 204 T CB 0.105 68.981 68.868 0.014 0.000 0.895 204 T HN -0.418 8.046 8.240 0.071 -0.181 0.674 205 P HA 0.152 4.719 4.420 -0.010 -0.153 0.242 205 P C 0.011 177.306 177.300 -0.009 0.000 1.197 205 P CA 1.153 64.250 63.100 -0.005 0.000 0.765 205 P CB 0.186 31.878 31.700 -0.013 0.000 0.936 206 Q N -4.454 115.344 119.800 -0.003 0.000 2.179 206 Q HA 0.110 4.444 4.340 -0.010 0.000 0.213 206 Q C -1.468 174.535 176.000 0.006 0.000 0.833 206 Q CA -0.819 54.980 55.803 -0.005 0.000 0.990 206 Q CB 0.777 29.509 28.738 -0.010 0.000 1.132 206 Q HN -0.156 8.049 8.270 0.001 0.066 0.493 207 V N -0.856 119.068 119.914 0.016 0.000 2.531 207 V HA 0.268 4.527 4.120 0.041 -0.115 0.301 207 V C -1.256 174.868 176.094 0.050 0.000 1.034 207 V CA -1.079 61.240 62.300 0.031 0.000 0.865 207 V CB 1.760 33.590 31.823 0.012 0.000 0.995 207 V HN -0.521 7.568 8.190 0.011 0.108 0.424 208 F N 9.877 129.782 119.950 -0.076 0.000 2.509 208 F HA -0.006 4.442 4.527 -0.131 0.000 0.350 208 F C -2.018 173.737 175.800 -0.076 0.000 1.220 208 F CA -0.357 57.578 58.000 -0.108 0.000 1.151 208 F CB -0.193 38.725 39.000 -0.136 0.000 1.379 208 F HN 0.469 8.882 8.300 0.188 0.000 0.610 209 D N 3.870 124.027 120.400 -0.406 0.000 2.664 209 D HA 0.435 5.057 4.640 -0.259 -0.138 0.292 209 D C 0.374 176.522 176.300 -0.253 0.000 1.214 209 D CA -1.808 52.034 54.000 -0.263 0.000 0.932 209 D CB 2.392 43.133 40.800 -0.099 0.000 1.420 209 D HN -0.302 7.812 8.370 -0.425 0.000 0.471 210 T N -7.020 107.468 114.554 -0.111 0.000 3.148 210 T HA 0.091 4.495 4.350 0.090 0.000 0.253 210 T C 1.522 176.260 174.700 0.064 0.000 1.134 210 T CA 0.550 62.658 62.100 0.013 0.000 1.051 210 T CB -0.636 68.227 68.868 -0.010 0.000 0.959 210 T HN -0.000 8.363 8.240 -0.095 -0.180 0.525 211 Q N 2.223 122.039 119.800 0.026 0.000 2.135 211 Q HA -0.317 4.068 4.340 0.075 0.000 0.204 211 Q C 1.447 177.492 176.000 0.074 0.000 0.981 211 Q CA 2.798 58.640 55.803 0.064 0.000 0.856 211 Q CB -1.175 27.602 28.738 0.065 0.000 0.902 211 Q HN -0.556 7.825 8.270 -0.012 -0.117 0.425 212 F N 1.069 120.945 119.950 -0.123 0.000 2.091 212 F HA -0.334 4.139 4.527 -0.090 0.000 0.299 212 F C 1.529 177.224 175.800 -0.176 0.000 1.103 212 F CA 3.497 61.377 58.000 -0.201 0.000 1.228 212 F CB -0.412 38.344 39.000 -0.406 0.000 0.984 212 F HN -0.527 7.913 8.300 0.098 -0.081 0.477 213 Y N -2.884 117.238 120.300 -0.296 0.000 2.242 213 Y HA -0.316 3.846 4.550 -0.647 0.000 0.291 213 Y C 2.767 178.656 175.900 -0.017 0.000 1.137 213 Y CA 3.195 61.056 58.100 -0.398 0.000 1.181 213 Y CB -0.272 37.905 38.460 -0.472 0.000 0.989 213 Y HN -0.812 7.388 8.280 -0.134 0.000 0.527 214 I N -0.756 119.911 120.570 0.162 0.000 2.202 214 I HA -0.557 3.806 4.170 0.321 0.000 0.242 214 I C 2.381 178.571 176.117 0.123 0.000 1.091 214 I CA 3.819 65.245 61.300 0.210 0.000 1.368 214 I CB -0.126 37.988 38.000 0.190 0.000 1.058 214 I HN -0.684 7.606 8.210 0.133 0.000 0.410 215 E N -1.463 118.770 120.200 0.054 0.000 2.216 215 E HA -0.198 4.181 4.350 0.048 0.000 0.192 215 E C 2.754 179.306 176.600 -0.080 0.000 0.988 215 E CA 2.903 59.312 56.400 0.016 0.000 0.834 215 E CB -0.069 29.671 29.700 0.067 0.000 0.772 215 E HN 0.132 8.514 8.360 0.037 0.000 0.479 216 T N -1.815 112.674 114.554 -0.109 0.000 2.962 216 T HA -0.147 4.116 4.350 -0.144 0.000 0.270 216 T C 0.936 175.584 174.700 -0.087 0.000 1.088 216 T CA 3.011 65.038 62.100 -0.122 0.000 1.127 216 T CB -0.423 68.352 68.868 -0.155 0.000 0.883 216 T HN -0.408 7.747 8.240 -0.142 0.000 0.493 217 L N -0.343 120.873 121.223 -0.011 0.000 2.554 217 L HA 0.080 4.360 4.340 -0.099 0.000 0.226 217 L C -0.369 176.439 176.870 -0.102 0.000 1.137 217 L CA -0.348 54.462 54.840 -0.050 0.000 0.863 217 L CB 0.096 42.183 42.059 0.047 0.000 0.985 217 L HN -0.796 7.327 8.230 0.050 0.137 0.451 218 L N -1.835 119.330 121.223 -0.096 0.000 2.452 218 L HA -0.022 4.429 4.340 -0.112 -0.178 0.267 218 L C 0.178 176.977 176.870 -0.118 0.000 1.188 218 L CA -0.139 54.639 54.840 -0.103 0.000 0.821 218 L CB 0.641 42.657 42.059 -0.072 0.000 1.102 218 L HN -0.930 7.086 8.230 -0.083 0.164 0.470 219 K N 0.575 120.913 120.400 -0.104 0.000 2.484 219 K HA -0.246 4.161 4.320 -0.104 -0.150 0.280 219 K C 0.378 176.913 176.600 -0.109 0.000 1.013 219 K CA 0.631 56.859 56.287 -0.099 0.000 1.029 219 K CB 0.531 32.984 32.500 -0.078 0.000 0.902 219 K HN -0.044 8.149 8.250 -0.095 0.000 0.481 220 G N 1.415 110.145 108.800 -0.117 0.000 2.360 220 G HA2 0.061 4.050 3.960 -0.152 0.000 0.279 220 G HA3 0.061 4.034 3.960 -0.135 -0.093 0.279 220 G C -0.278 174.562 174.900 -0.100 0.000 1.189 220 G CA 0.120 45.143 45.100 -0.129 0.000 0.941 220 G HN 0.314 8.536 8.290 -0.113 0.000 0.445 221 T N -0.500 113.998 114.554 -0.093 0.000 2.954 221 T HA 0.194 4.510 4.350 -0.056 0.000 0.252 221 T C 0.516 175.185 174.700 -0.052 0.000 0.983 221 T CA -0.068 61.995 62.100 -0.061 0.000 0.941 221 T CB 1.296 70.142 68.868 -0.037 0.000 1.141 221 T HN 0.027 8.200 8.240 -0.112 0.000 0.500 222 T N 6.428 120.941 114.554 -0.069 0.000 2.824 222 T HA 0.286 4.620 4.350 -0.026 0.000 0.282 222 T C -2.308 172.354 174.700 -0.063 0.000 0.993 222 T CA -0.237 61.835 62.100 -0.047 0.000 0.967 222 T CB 2.278 71.130 68.868 -0.027 0.000 0.960 222 T HN -0.135 8.047 8.240 -0.097 0.000 0.441 223 Q N 5.981 125.758 119.800 -0.038 0.000 2.398 223 Q HA 0.405 4.704 4.340 -0.069 0.000 0.251 223 Q C -1.032 174.963 176.000 -0.008 0.000 0.999 223 Q CA -3.255 52.524 55.803 -0.039 0.000 0.874 223 Q CB 1.169 29.891 28.738 -0.027 0.000 1.215 223 Q HN 0.409 8.665 8.270 -0.024 0.000 0.470 224 P HA 0.054 4.501 4.420 0.046 0.000 0.225 224 P C -0.519 176.820 177.300 0.064 0.000 1.156 224 P CA 0.229 63.356 63.100 0.044 0.000 0.787 224 P CB 0.614 32.354 31.700 0.067 0.000 0.802 225 G N -1.132 107.707 108.800 0.065 0.000 2.597 225 G HA2 0.352 4.357 3.960 0.075 0.000 0.317 225 G HA3 0.352 4.367 3.960 0.093 0.000 0.317 225 G C -1.882 173.049 174.900 0.051 0.000 1.230 225 G CA -2.021 43.123 45.100 0.073 0.000 0.996 225 G HN -0.515 7.775 8.290 0.052 0.031 0.490 226 P HA 0.003 4.443 4.420 0.032 0.000 0.229 226 P C -1.046 176.276 177.300 0.036 0.000 1.160 226 P CA 0.712 63.835 63.100 0.038 0.000 0.777 226 P CB 0.404 32.127 31.700 0.038 0.000 0.814 227 S N -4.328 111.400 115.700 0.046 0.000 2.705 227 S HA 0.099 4.589 4.470 0.032 0.000 0.280 227 S C -2.461 172.172 174.600 0.056 0.000 1.174 227 S CA -1.378 56.848 58.200 0.044 0.000 0.823 227 S CB 2.613 65.841 63.200 0.047 0.000 1.162 227 S HN -0.694 7.609 8.310 0.056 0.041 0.487 228 L N 0.306 121.559 121.223 0.051 0.000 2.334 228 L HA 0.186 4.714 4.340 0.055 -0.155 0.277 228 L C 1.019 177.956 176.870 0.112 0.000 1.075 228 L CA -0.491 54.384 54.840 0.058 0.000 0.804 228 L CB 1.111 43.181 42.059 0.018 0.000 1.174 228 L HN 0.186 8.442 8.230 0.043 0.000 0.438 229 G N 0.778 109.682 108.800 0.173 0.000 2.568 229 G HA2 0.351 4.392 3.960 0.203 0.000 0.293 229 G HA3 0.351 4.698 3.960 0.289 -0.214 0.293 229 G C -1.625 173.425 174.900 0.250 0.000 1.347 229 G CA -1.189 44.052 45.100 0.235 0.000 1.039 229 G HN 0.251 8.987 8.290 0.183 -0.335 0.523 230 F N 1.781 121.816 119.950 0.142 0.000 2.543 230 F HA -0.275 4.308 4.527 0.093 0.000 0.375 230 F C -0.185 175.713 175.800 0.163 0.000 1.075 230 F CA 0.891 58.963 58.000 0.121 0.000 1.225 230 F CB 0.861 39.920 39.000 0.097 0.000 1.099 230 F HN -0.611 7.933 8.300 0.406 0.000 0.561 231 A N 3.148 125.625 122.820 -0.572 0.000 2.860 231 A HA -0.400 3.649 4.320 -0.452 0.000 0.267 231 A C -1.818 175.671 177.584 -0.159 0.000 1.421 231 A CA 0.954 52.695 52.037 -0.493 0.000 0.831 231 A CB -1.881 16.685 19.000 -0.723 0.000 1.041 231 A HN 0.365 8.216 8.150 -0.498 0.000 0.623 232 E N -1.464 118.672 120.200 -0.106 0.000 2.266 232 E HA 0.223 4.462 4.350 -0.399 -0.129 0.277 232 E C -0.627 175.811 176.600 -0.269 0.000 1.018 232 E CA -0.280 55.965 56.400 -0.258 0.000 0.840 232 E CB 1.669 31.240 29.700 -0.216 0.000 1.082 232 E HN -0.801 7.473 8.360 -0.078 0.039 0.395 233 E N 3.248 123.235 120.200 -0.355 0.000 2.320 233 E HA 0.276 4.509 4.350 -0.195 0.000 0.264 233 E C -0.543 175.895 176.600 -0.271 0.000 0.923 233 E CA -2.097 54.152 56.400 -0.250 0.000 0.796 233 E CB 2.835 32.414 29.700 -0.202 0.000 1.262 233 E HN 0.518 8.578 8.360 -0.500 0.000 0.428 234 L N -0.455 120.652 121.223 -0.194 0.000 2.485 234 L HA -0.174 4.156 4.340 -0.177 -0.095 0.275 234 L C 0.945 177.692 176.870 -0.205 0.000 1.207 234 L CA 0.822 55.556 54.840 -0.177 0.000 0.855 234 L CB 0.061 42.044 42.059 -0.128 0.000 1.114 234 L HN 0.238 8.370 8.230 -0.163 0.000 0.485 235 S N 3.405 118.979 115.700 -0.211 0.000 2.767 235 S HA 0.491 4.803 4.470 -0.263 0.000 0.300 235 S C -1.373 173.057 174.600 -0.283 0.000 1.123 235 S CA -1.820 56.223 58.200 -0.261 0.000 0.992 235 S CB 0.965 64.007 63.200 -0.264 0.000 1.138 235 S HN 0.589 8.788 8.310 -0.184 0.000 0.550 236 P HA 0.336 4.621 4.420 -0.226 0.000 0.251 236 P C -1.387 175.724 177.300 -0.315 0.000 1.223 236 P CA 0.071 62.919 63.100 -0.420 0.000 0.796 236 P CB 1.226 32.618 31.700 -0.513 0.000 1.068 237 F N -6.624 113.318 119.950 -0.012 0.000 2.770 237 F HA 0.377 4.899 4.527 -0.008 0.000 0.313 237 F C -3.464 172.339 175.800 0.005 0.000 1.154 237 F CA -3.833 54.165 58.000 -0.004 0.000 0.923 237 F CB -1.199 37.801 39.000 -0.000 0.000 1.301 237 F HN -0.895 7.040 8.300 -0.608 0.000 0.449 238 P HA -0.072 4.416 4.420 0.113 0.000 0.264 238 P C 0.243 177.665 177.300 0.202 0.000 1.183 238 P CA 1.141 64.339 63.100 0.163 0.000 0.763 238 P CB 0.198 31.968 31.700 0.116 0.000 0.807 239 G N 2.114 111.001 108.800 0.145 0.000 2.284 239 G HA2 -0.384 3.649 3.960 0.122 0.000 0.247 239 G HA3 -0.384 3.880 3.960 0.148 -0.216 0.247 239 G C -1.528 173.469 174.900 0.162 0.000 1.012 239 G CA 0.324 45.511 45.100 0.146 0.000 0.618 239 G HN 0.172 8.532 8.290 0.116 0.000 0.521 240 E N 1.425 121.725 120.200 0.166 0.000 2.259 240 E HA 0.240 4.843 4.350 0.150 -0.163 0.281 240 E C -1.201 175.445 176.600 0.077 0.000 1.027 240 E CA -0.835 55.628 56.400 0.105 0.000 0.838 240 E CB 1.586 31.254 29.700 -0.054 0.000 1.066 240 E HN -0.932 7.452 8.360 0.187 0.089 0.401 241 F N 7.791 127.727 119.950 -0.024 0.000 2.422 241 F HA 0.195 4.703 4.527 -0.032 0.000 0.333 241 F C -2.055 173.727 175.800 -0.029 0.000 1.095 241 F CA -0.465 57.519 58.000 -0.028 0.000 1.038 241 F CB 3.361 42.350 39.000 -0.018 0.000 1.156 241 F HN 0.266 8.713 8.300 0.245 0.000 0.483 242 R N 6.905 127.134 120.500 -0.450 0.000 2.476 242 R HA 0.387 4.732 4.340 0.009 0.000 0.305 242 R C -2.148 173.936 176.300 -0.360 0.000 0.965 242 R CA -1.438 54.515 56.100 -0.245 0.000 0.867 242 R CB 3.412 33.573 30.300 -0.233 0.000 1.176 242 R HN 0.586 8.332 8.270 -0.874 0.000 0.447 243 M N 4.977 124.618 119.600 0.067 0.000 2.342 243 M HA 0.750 5.416 4.480 0.045 -0.160 0.332 243 M C -0.058 176.257 176.300 0.025 0.000 1.166 243 M CA 0.138 55.520 55.300 0.137 0.000 1.086 243 M CB 2.791 35.592 32.600 0.336 0.000 1.541 243 M HN 0.488 8.903 8.290 0.208 0.000 0.462 244 R N 1.648 122.128 120.500 -0.032 0.000 2.081 244 R HA -0.376 3.910 4.340 -0.091 0.000 0.235 244 R C 1.819 178.103 176.300 -0.028 0.000 1.131 244 R CA 4.115 60.174 56.100 -0.067 0.000 0.960 244 R CB 0.059 30.295 30.300 -0.106 0.000 0.856 244 R HN 0.458 8.705 8.270 -0.039 0.000 0.436 245 S N -0.834 114.883 115.700 0.028 0.000 2.370 245 S HA -0.254 4.228 4.470 0.020 0.000 0.226 245 S C 1.939 176.576 174.600 0.061 0.000 1.033 245 S CA 3.236 61.470 58.200 0.056 0.000 1.011 245 S CB -1.352 61.919 63.200 0.118 0.000 0.852 245 S HN -0.325 8.010 8.310 0.041 0.000 0.457 246 D N 3.364 123.854 120.400 0.150 0.000 2.117 246 D HA -0.215 4.585 4.640 0.267 0.000 0.198 246 D C 1.775 178.008 176.300 -0.113 0.000 0.982 246 D CA 2.883 57.002 54.000 0.197 0.000 0.828 246 D CB -0.625 40.462 40.800 0.478 0.000 0.967 246 D HN -0.647 7.836 8.370 0.189 0.000 0.464 247 A N 0.183 122.944 122.820 -0.099 0.000 1.908 247 A HA -0.264 3.921 4.320 -0.225 0.000 0.218 247 A C 2.104 179.537 177.584 -0.252 0.000 1.181 247 A CA 2.923 54.846 52.037 -0.190 0.000 0.627 247 A CB -0.301 18.612 19.000 -0.144 0.000 0.818 247 A HN -0.524 7.605 8.150 -0.035 0.000 0.445 248 L N -2.747 118.362 121.223 -0.191 0.000 2.056 248 L HA -0.381 3.855 4.340 -0.172 0.000 0.207 248 L C 2.148 178.864 176.870 -0.256 0.000 1.078 248 L CA 2.654 57.386 54.840 -0.180 0.000 0.749 248 L CB -0.073 41.923 42.059 -0.105 0.000 0.901 248 L HN -0.296 7.850 8.230 -0.140 0.000 0.433 249 L N -2.592 118.440 121.223 -0.318 0.000 2.141 249 L HA -0.291 3.925 4.340 -0.206 0.000 0.209 249 L C 1.891 178.296 176.870 -0.775 0.000 1.094 249 L CA 2.611 57.226 54.840 -0.375 0.000 0.763 249 L CB -0.164 41.773 42.059 -0.203 0.000 0.908 249 L HN -0.332 7.736 8.230 -0.270 0.000 0.437 250 A N -4.192 117.853 122.820 -1.292 0.000 1.972 250 A HA -0.270 2.527 4.320 -2.538 0.000 0.219 250 A C 1.321 178.509 177.584 -0.661 0.000 1.169 250 A CA 2.583 53.640 52.037 -1.634 0.000 0.635 250 A CB -0.201 18.013 19.000 -1.310 0.000 0.810 250 A HN -0.397 7.075 8.150 -1.098 0.020 0.446 251 R N -5.792 114.455 120.500 -0.422 0.000 2.307 251 R HA 0.033 4.253 4.340 -0.200 0.000 0.200 251 R C -0.231 175.977 176.300 -0.152 0.000 0.893 251 R CA 0.214 56.175 56.100 -0.232 0.000 1.042 251 R CB 1.177 31.360 30.300 -0.194 0.000 1.059 251 R HN -0.735 7.112 8.270 -0.445 0.156 0.530 252 D N 1.145 121.454 120.400 -0.153 0.000 2.389 252 D HA 0.055 4.650 4.640 -0.074 0.000 0.247 252 D C 1.041 177.313 176.300 -0.048 0.000 1.128 252 D CA 0.659 54.607 54.000 -0.085 0.000 0.884 252 D CB 2.462 43.218 40.800 -0.074 0.000 1.194 252 D HN -0.547 7.699 8.370 -0.206 0.000 0.441 253 S N 6.079 121.762 115.700 -0.028 0.000 2.440 253 S HA -0.223 4.243 4.470 -0.007 0.000 0.238 253 S C 1.640 176.246 174.600 0.009 0.000 1.010 253 S CA 2.102 60.297 58.200 -0.008 0.000 0.972 253 S CB -0.347 62.850 63.200 -0.005 0.000 0.774 253 S HN 0.551 8.843 8.310 -0.031 0.000 0.501 254 R N -0.559 119.948 120.500 0.011 0.000 2.240 254 R HA -0.006 4.353 4.340 0.031 0.000 0.203 254 R C 1.722 178.053 176.300 0.053 0.000 1.011 254 R CA 1.728 57.846 56.100 0.031 0.000 1.007 254 R CB 0.497 30.816 30.300 0.032 0.000 0.911 254 R HN 0.017 8.581 8.270 0.001 -0.293 0.468 255 T N -7.958 106.628 114.554 0.053 0.000 2.986 255 T HA 0.380 4.807 4.350 0.129 0.000 0.264 255 T C 0.461 175.244 174.700 0.139 0.000 0.964 255 T CA 0.560 62.727 62.100 0.111 0.000 0.895 255 T CB 1.424 70.371 68.868 0.131 0.000 1.163 255 T HN -0.206 7.895 8.240 0.025 0.154 0.517 256 A N 2.647 125.506 122.820 0.064 0.000 1.969 256 A HA -0.118 4.349 4.320 0.067 -0.107 0.218 256 A C 0.719 178.385 177.584 0.136 0.000 1.169 256 A CA 3.340 55.420 52.037 0.071 0.000 0.635 256 A CB -0.401 18.599 19.000 0.001 0.000 0.810 256 A HN 0.089 8.259 8.150 0.032 0.000 0.445 257 c N -1.742 116.916 118.600 0.097 0.000 2.466 257 c HA -0.260 4.360 4.570 0.082 0.000 0.278 257 c C 1.975 176.113 174.090 0.080 0.000 1.288 257 c CA 3.602 59.979 56.329 0.080 0.000 1.722 257 c CB -1.896 40.643 42.510 0.049 0.000 2.017 257 c HN 0.283 8.560 8.230 0.079 0.000 0.488 258 R N -0.053 120.502 120.500 0.091 0.000 2.091 258 R HA -0.309 4.034 4.340 0.005 0.000 0.238 258 R C 1.569 177.898 176.300 0.048 0.000 1.136 258 R CA 2.477 58.610 56.100 0.054 0.000 0.959 258 R CB -0.658 29.687 30.300 0.076 0.000 0.856 258 R HN -0.100 8.230 8.270 0.100 0.000 0.437 259 W N -0.959 120.319 121.300 -0.037 0.000 2.335 259 W HA -0.377 4.240 4.660 -0.072 0.000 0.311 259 W C 2.330 178.805 176.519 -0.074 0.000 1.213 259 W CA 4.077 61.411 57.345 -0.018 0.000 1.274 259 W CB -0.192 29.328 29.460 0.100 0.000 1.148 259 W HN -0.207 8.191 8.180 0.364 0.000 0.498 260 Q N -0.827 119.122 119.800 0.248 0.000 2.124 260 Q HA -0.374 4.092 4.340 0.210 0.000 0.202 260 Q C 2.391 178.340 176.000 -0.085 0.000 0.977 260 Q CA 3.320 59.198 55.803 0.124 0.000 0.850 260 Q CB 0.041 28.868 28.738 0.150 0.000 0.901 260 Q HN -0.072 8.365 8.270 0.278 0.000 0.429 261 S N -1.265 114.378 115.700 -0.096 0.000 2.507 261 S HA -0.090 4.290 4.470 -0.151 0.000 0.235 261 S C 1.428 175.889 174.600 -0.232 0.000 0.988 261 S CA 2.524 60.634 58.200 -0.149 0.000 0.944 261 S CB -0.600 62.539 63.200 -0.101 0.000 0.762 261 S HN -0.253 7.948 8.310 -0.042 0.083 0.526 262 M N -0.178 119.200 119.600 -0.369 0.000 2.447 262 M HA 0.068 4.294 4.480 -0.424 0.000 0.264 262 M C 1.903 177.993 176.300 -0.351 0.000 1.095 262 M CA 0.478 55.457 55.300 -0.534 0.000 1.125 262 M CB -0.688 31.115 32.600 -1.328 0.000 1.389 262 M HN -0.554 7.358 8.290 -0.373 0.154 0.459 263 T N -5.365 109.039 114.554 -0.249 0.000 2.833 263 T HA -0.086 4.233 4.350 -0.052 0.000 0.269 263 T C 0.837 175.459 174.700 -0.129 0.000 1.054 263 T CA 2.616 64.637 62.100 -0.131 0.000 1.135 263 T CB -0.103 68.690 68.868 -0.125 0.000 0.869 263 T HN -0.477 7.452 8.240 -0.251 0.160 0.466 264 S N -1.732 113.866 115.700 -0.168 0.000 2.524 264 S HA -0.015 4.392 4.470 -0.104 0.000 0.215 264 S C -0.408 174.134 174.600 -0.097 0.000 0.986 264 S CA 0.125 58.248 58.200 -0.129 0.000 0.911 264 S CB 0.784 63.893 63.200 -0.152 0.000 0.805 264 S HN -0.064 8.128 8.310 -0.197 0.000 0.501 265 S N 2.603 118.239 115.700 -0.106 0.000 2.745 265 S HA 0.314 4.745 4.470 -0.065 0.000 0.283 265 S C 0.057 174.608 174.600 -0.082 0.000 1.170 265 S CA -0.578 57.572 58.200 -0.082 0.000 1.119 265 S CB 0.664 63.819 63.200 -0.075 0.000 1.035 265 S HN -0.685 7.547 8.310 -0.130 0.000 0.483 266 N N 9.334 127.996 118.700 -0.063 0.000 2.149 266 N HA -0.329 4.355 4.740 -0.094 0.000 0.188 266 N C 1.283 176.784 175.510 -0.015 0.000 1.019 266 N CA 3.183 56.199 53.050 -0.057 0.000 0.857 266 N CB -0.090 38.374 38.487 -0.037 0.000 0.997 266 N HN 0.589 8.937 8.380 -0.054 0.000 0.426 267 E N 1.273 121.468 120.200 -0.009 0.000 2.072 267 E HA -0.245 4.125 4.350 0.033 0.000 0.191 267 E C 2.381 178.988 176.600 0.012 0.000 0.985 267 E CA 2.600 59.008 56.400 0.012 0.000 0.801 267 E CB 0.026 29.728 29.700 0.003 0.000 0.750 267 E HN 0.027 8.351 8.360 -0.020 0.025 0.452 268 V N 1.121 121.025 119.914 -0.017 0.000 2.358 268 V HA -0.180 3.942 4.120 0.003 0.000 0.246 268 V C 1.635 177.720 176.094 -0.015 0.000 1.047 268 V CA 1.053 63.340 62.300 -0.022 0.000 1.035 268 V CB -0.226 31.567 31.823 -0.050 0.000 0.658 268 V HN -0.170 nan 8.190 nan 0.000 0.452 269 M N 0.868 120.441 119.600 -0.044 0.000 2.080 269 M HA -0.322 4.115 4.480 -0.073 0.000 0.260 269 M C 2.060 178.431 176.300 0.117 0.000 1.068 269 M CA 3.338 58.614 55.300 -0.040 0.000 1.109 269 M CB 0.077 32.596 32.600 -0.134 0.000 1.342 269 M HN -0.116 8.134 8.290 -0.066 0.000 0.405 270 G N -1.713 107.188 108.800 0.170 0.000 2.418 270 G HA2 -0.358 3.924 3.960 0.536 0.000 0.217 270 G HA3 -0.358 3.768 3.960 0.275 0.000 0.217 270 G C 1.530 176.560 174.900 0.217 0.000 1.158 270 G CA 2.246 47.535 45.100 0.314 0.000 0.771 270 G HN -0.082 8.270 8.290 0.104 0.000 0.545 271 Q N 2.417 122.288 119.800 0.120 0.000 2.050 271 Q HA -0.201 4.141 4.340 0.003 0.000 0.202 271 Q C 2.930 178.980 176.000 0.083 0.000 0.980 271 Q CA 2.157 58.006 55.803 0.078 0.000 0.840 271 Q CB -0.198 28.565 28.738 0.042 0.000 0.898 271 Q HN 0.303 nan 8.270 nan 0.000 0.424 272 R N -0.755 119.798 120.500 0.088 0.000 2.081 272 R HA -0.315 4.057 4.340 0.054 0.000 0.235 272 R C 2.094 178.470 176.300 0.127 0.000 1.131 272 R CA 2.877 59.025 56.100 0.079 0.000 0.960 272 R CB 0.167 30.496 30.300 0.047 0.000 0.856 272 R HN -0.318 8.000 8.270 0.080 0.000 0.436 273 Y N 0.557 120.893 120.300 0.061 0.000 2.181 273 Y HA -0.357 4.220 4.550 0.044 0.000 0.288 273 Y C 1.201 177.115 175.900 0.022 0.000 1.146 273 Y CA 2.994 61.137 58.100 0.071 0.000 1.164 273 Y CB 0.057 38.643 38.460 0.210 0.000 0.982 273 Y HN -0.003 8.469 8.280 0.320 0.000 0.515 274 R N -0.592 119.933 120.500 0.042 0.000 2.091 274 R HA -0.545 3.681 4.340 -0.190 0.000 0.238 274 R C 2.000 178.241 176.300 -0.097 0.000 1.136 274 R CA 3.542 59.592 56.100 -0.083 0.000 0.959 274 R CB -0.262 30.037 30.300 -0.002 0.000 0.856 274 R HN 0.054 8.432 8.270 0.181 0.000 0.437 275 A N -2.080 120.719 122.820 -0.034 0.000 1.902 275 A HA -0.221 4.087 4.320 -0.020 0.000 0.217 275 A C 1.887 179.463 177.584 -0.014 0.000 1.181 275 A CA 2.874 54.902 52.037 -0.016 0.000 0.623 275 A CB -0.879 18.129 19.000 0.013 0.000 0.818 275 A HN -0.344 7.805 8.150 -0.001 0.000 0.443 276 A N -1.688 121.115 122.820 -0.028 0.000 1.930 276 A HA -0.327 4.054 4.320 0.101 0.000 0.217 276 A C 1.847 179.396 177.584 -0.058 0.000 1.175 276 A CA 2.775 54.811 52.037 -0.001 0.000 0.627 276 A CB -0.406 18.570 19.000 -0.039 0.000 0.815 276 A HN -0.407 7.722 8.150 -0.034 0.000 0.443 277 M N -2.210 117.249 119.600 -0.234 0.000 2.175 277 M HA -0.292 4.060 4.480 -0.215 0.000 0.264 277 M C 2.369 178.607 176.300 -0.104 0.000 1.063 277 M CA 1.469 56.616 55.300 -0.255 0.000 1.119 277 M CB -1.096 31.201 32.600 -0.506 0.000 1.377 277 M HN 0.059 8.160 8.290 -0.316 0.000 0.415 278 A N -0.628 122.140 122.820 -0.087 0.000 1.908 278 A HA -0.286 4.000 4.320 -0.057 0.000 0.218 278 A C 1.415 178.996 177.584 -0.004 0.000 1.181 278 A CA 2.986 54.995 52.037 -0.047 0.000 0.627 278 A CB -0.761 18.211 19.000 -0.046 0.000 0.818 278 A HN -0.156 7.927 8.150 -0.111 0.000 0.445 279 K N -2.200 118.225 120.400 0.041 0.000 2.026 279 K HA -0.302 4.029 4.320 0.019 0.000 0.208 279 K C 2.558 179.226 176.600 0.114 0.000 1.048 279 K CA 2.713 59.044 56.287 0.072 0.000 0.929 279 K CB -0.074 32.508 32.500 0.136 0.000 0.713 279 K HN -0.614 7.661 8.250 0.041 0.000 0.439 280 M N -0.608 119.134 119.600 0.237 0.000 2.229 280 M HA -0.253 4.490 4.480 0.439 0.000 0.264 280 M C 2.062 178.448 176.300 0.142 0.000 1.063 280 M CA 3.180 58.667 55.300 0.312 0.000 1.114 280 M CB 0.156 32.929 32.600 0.289 0.000 1.387 280 M HN -0.331 8.090 8.290 0.219 0.000 0.420 281 S N -1.775 113.965 115.700 0.065 0.000 2.469 281 S HA -0.196 4.378 4.470 0.041 -0.079 0.238 281 S C 0.464 175.069 174.600 0.007 0.000 0.998 281 S CA 2.614 60.827 58.200 0.022 0.000 0.957 281 S CB -0.323 62.861 63.200 -0.026 0.000 0.764 281 S HN -0.063 8.249 8.310 0.049 0.028 0.514 282 V N -6.785 113.143 119.914 0.023 0.000 3.159 282 V HA 0.441 4.635 4.120 0.123 0.000 0.333 282 V C -0.796 175.324 176.094 0.044 0.000 1.424 282 V CA -2.656 59.687 62.300 0.072 0.000 1.125 282 V CB -0.669 31.168 31.823 0.024 0.000 1.075 282 V HN -0.824 7.319 8.190 0.020 0.058 0.482 283 L N 2.133 123.310 121.223 -0.077 0.000 2.559 283 L HA -0.143 3.824 4.340 -0.622 0.000 0.274 283 L C 1.159 177.759 176.870 -0.450 0.000 1.205 283 L CA 1.693 56.254 54.840 -0.465 0.000 0.907 283 L CB -0.513 41.259 42.059 -0.479 0.000 1.153 283 L HN -0.730 7.489 8.230 -0.018 0.000 0.490 284 G N 1.490 109.824 108.800 -0.778 0.000 2.175 284 G HA2 -0.358 3.361 3.960 -0.402 0.000 0.244 284 G HA3 -0.358 3.448 3.960 -0.598 -0.205 0.244 284 G C -0.604 173.758 174.900 -0.896 0.000 0.982 284 G CA -0.059 44.663 45.100 -0.630 0.000 0.641 284 G HN 0.522 8.221 8.290 -0.986 0.000 0.527 285 F N -0.979 118.897 119.950 -0.124 0.000 2.613 285 F HA 0.139 4.649 4.527 -0.029 0.000 0.314 285 F C -1.515 174.247 175.800 -0.065 0.000 1.075 285 F CA -1.027 56.935 58.000 -0.064 0.000 0.945 285 F CB 2.761 41.725 39.000 -0.059 0.000 1.310 285 F HN -0.503 7.657 8.300 -0.136 0.058 0.467 286 D N 2.067 122.558 120.400 0.153 0.000 2.396 286 D HA 0.155 4.821 4.640 0.043 0.000 0.225 286 D C 0.999 177.335 176.300 0.060 0.000 1.121 286 D CA -1.274 52.769 54.000 0.072 0.000 0.853 286 D CB 0.309 41.137 40.800 0.046 0.000 1.043 286 D HN 0.231 8.716 8.370 0.192 0.000 0.500 287 R N 6.178 126.692 120.500 0.023 0.000 2.200 287 R HA -0.312 4.010 4.340 -0.030 0.000 0.234 287 R C 1.672 177.957 176.300 -0.025 0.000 1.127 287 R CA 2.419 58.509 56.100 -0.017 0.000 0.989 287 R CB -0.550 29.728 30.300 -0.036 0.000 0.869 287 R HN 0.516 8.797 8.270 0.018 0.000 0.459 288 N N -0.872 117.822 118.700 -0.010 0.000 2.512 288 N HA -0.153 4.574 4.740 -0.022 0.000 0.183 288 N C 0.223 175.728 175.510 -0.008 0.000 1.073 288 N CA 1.657 54.700 53.050 -0.012 0.000 0.911 288 N CB 0.028 38.512 38.487 -0.006 0.000 0.964 288 N HN -0.154 8.482 8.380 -0.001 -0.257 0.447 289 A N -1.731 121.091 122.820 0.003 0.000 2.275 289 A HA 0.162 4.485 4.320 0.006 0.000 0.212 289 A C -0.618 176.960 177.584 -0.010 0.000 1.201 289 A CA 0.001 52.044 52.037 0.010 0.000 0.843 289 A CB 0.833 19.857 19.000 0.040 0.000 0.873 289 A HN -0.274 7.709 8.150 0.012 0.174 0.492 290 L N -3.420 117.778 121.223 -0.043 0.000 2.358 290 L HA 0.305 4.593 4.340 -0.086 0.000 0.268 290 L C -0.014 176.793 176.870 -0.105 0.000 1.032 290 L CA -1.326 53.457 54.840 -0.095 0.000 0.805 290 L CB 1.920 43.887 42.059 -0.153 0.000 1.253 290 L HN -0.811 7.212 8.230 -0.040 0.184 0.452 291 T N 2.451 116.923 114.554 -0.137 0.000 2.794 291 T HA 0.206 4.503 4.350 -0.087 0.000 0.280 291 T C -1.543 173.042 174.700 -0.190 0.000 0.987 291 T CA -0.430 61.599 62.100 -0.119 0.000 0.993 291 T CB 1.659 70.484 68.868 -0.071 0.000 0.939 291 T HN 0.251 8.392 8.240 -0.164 0.000 0.449 292 D N 5.027 125.342 120.400 -0.142 0.000 2.336 292 D HA 0.073 4.576 4.640 -0.228 0.000 0.249 292 D C -0.027 176.203 176.300 -0.117 0.000 1.213 292 D CA 0.076 53.983 54.000 -0.154 0.000 0.870 292 D CB -0.181 40.564 40.800 -0.092 0.000 1.076 292 D HN 0.374 8.685 8.370 -0.099 0.000 0.483 293 c N 6.136 124.635 118.600 -0.168 0.000 2.638 293 c HA 0.314 4.887 4.570 0.005 0.000 0.282 293 c C 0.995 175.141 174.090 0.094 0.000 1.473 293 c CA -1.556 54.757 56.329 -0.027 0.000 1.781 293 c CB -1.819 40.678 42.510 -0.022 0.000 2.780 293 c HN 0.199 8.245 8.230 -0.307 0.000 0.531 294 S N 2.776 118.499 115.700 0.040 0.000 2.442 294 S HA -0.269 4.276 4.470 0.125 0.000 0.236 294 S C 1.324 175.965 174.600 0.067 0.000 1.007 294 S CA 3.647 61.888 58.200 0.069 0.000 0.965 294 S CB -0.159 63.051 63.200 0.017 0.000 0.773 294 S HN -0.338 8.148 8.310 -0.015 -0.185 0.504 295 D N -2.180 118.263 120.400 0.072 0.000 2.348 295 D HA -0.201 4.486 4.640 0.078 0.000 0.216 295 D C 0.737 177.112 176.300 0.126 0.000 0.970 295 D CA 1.190 55.248 54.000 0.095 0.000 0.889 295 D CB -1.162 39.707 40.800 0.114 0.000 0.912 295 D HN 0.184 8.545 8.370 0.066 0.049 0.524 296 V N -1.392 118.566 119.914 0.073 0.000 2.809 296 V HA -0.131 4.024 4.120 0.059 0.000 0.256 296 V C 0.490 176.613 176.094 0.048 0.000 1.080 296 V CA 1.110 63.406 62.300 -0.007 0.000 1.102 296 V CB -0.421 31.279 31.823 -0.206 0.000 0.705 296 V HN -0.707 7.468 8.190 0.073 0.059 0.475 297 I N -0.024 120.553 120.570 0.010 0.000 2.352 297 I HA 0.246 4.336 4.170 -0.133 0.000 0.290 297 I C -1.835 174.268 176.117 -0.024 0.000 1.036 297 I CA -4.193 57.064 61.300 -0.071 0.000 1.336 297 I CB -1.245 36.692 38.000 -0.106 0.000 1.407 297 I HN -0.661 7.412 8.210 0.035 0.158 0.497 298 P HA 0.221 4.652 4.420 0.018 0.000 0.281 298 P C -1.435 175.847 177.300 -0.031 0.000 1.281 298 P CA -1.336 61.761 63.100 -0.005 0.000 0.811 298 P CB 1.043 32.746 31.700 0.004 0.000 1.154 299 S N -2.679 113.011 115.700 -0.016 0.000 2.580 299 S HA -0.034 4.416 4.470 -0.034 0.000 0.274 299 S C 0.409 174.989 174.600 -0.034 0.000 1.329 299 S CA -0.544 57.641 58.200 -0.024 0.000 1.036 299 S CB 0.331 63.525 63.200 -0.009 0.000 0.919 299 S HN -0.201 8.108 8.310 -0.003 0.000 0.515 300 A N 2.311 125.105 122.820 -0.044 0.000 2.351 300 A HA 0.105 4.549 4.320 -0.055 -0.157 0.257 300 A C -0.023 177.547 177.584 -0.024 0.000 1.087 300 A CA -0.440 51.569 52.037 -0.046 0.000 0.798 300 A CB 0.824 19.791 19.000 -0.056 0.000 1.033 300 A HN 0.071 8.194 8.150 -0.046 0.000 0.488 301 V N 2.472 122.372 119.914 -0.023 0.000 2.694 301 V HA -0.095 4.019 4.120 -0.009 0.000 0.306 301 V C 0.051 176.143 176.094 -0.004 0.000 1.054 301 V CA 0.383 62.676 62.300 -0.012 0.000 1.161 301 V CB 1.357 33.173 31.823 -0.012 0.000 0.916 301 V HN 0.493 8.664 8.190 -0.031 0.000 0.490 302 S N 7.590 123.291 115.700 0.002 0.000 2.572 302 S HA -0.066 4.412 4.470 0.013 0.000 0.279 302 S C -0.849 173.757 174.600 0.010 0.000 1.341 302 S CA 0.198 58.403 58.200 0.008 0.000 1.043 302 S CB 0.561 63.766 63.200 0.008 0.000 0.887 302 S HN 0.067 8.377 8.310 0.000 0.000 0.516 303 N N 0.993 119.703 118.700 0.016 0.000 2.426 303 N HA 0.056 4.801 4.740 0.010 0.000 0.257 303 N C -0.230 175.284 175.510 0.007 0.000 1.002 303 N CA -0.292 52.767 53.050 0.014 0.000 0.942 303 N CB 0.427 38.927 38.487 0.021 0.000 1.112 303 N HN 0.193 8.586 8.380 0.022 0.000 0.499 304 N N 5.371 124.073 118.700 0.003 0.000 2.353 304 N HA -0.003 4.737 4.740 0.001 0.000 0.185 304 N C -0.408 175.101 175.510 -0.002 0.000 1.098 304 N CA 0.200 53.250 53.050 0.001 0.000 0.872 304 N CB 0.393 38.880 38.487 -0.000 0.000 0.970 304 N HN 0.355 8.736 8.380 0.003 0.000 0.467 305 A N 1.276 124.095 122.820 -0.002 0.000 2.354 305 A HA 0.101 4.419 4.320 -0.004 0.000 0.269 305 A C -0.947 176.634 177.584 -0.006 0.000 1.109 305 A CA -0.174 51.861 52.037 -0.004 0.000 0.800 305 A CB 0.770 19.768 19.000 -0.004 0.000 1.045 305 A HN -0.733 7.614 8.150 -0.001 -0.198 0.489 306 A N 2.141 124.958 122.820 -0.005 0.000 2.340 306 A HA 0.216 4.530 4.320 -0.009 0.000 0.268 306 A C -1.783 175.799 177.584 -0.003 0.000 1.100 306 A CA -1.886 50.148 52.037 -0.006 0.000 0.803 306 A CB -0.295 18.703 19.000 -0.004 0.000 1.043 306 A HN 0.105 8.252 8.150 -0.004 0.000 0.488 307 P HA -0.081 4.507 4.420 0.008 -0.164 0.265 307 P C -1.662 175.650 177.300 0.020 0.000 1.187 307 P CA -0.096 63.007 63.100 0.006 0.000 0.766 307 P CB 0.475 32.172 31.700 -0.005 0.000 0.820 308 V N 1.828 121.764 119.914 0.036 0.000 3.087 308 V HA 0.385 4.690 4.120 0.044 -0.158 0.306 308 V C -1.725 174.411 176.094 0.070 0.000 1.187 308 V CA -1.826 60.500 62.300 0.043 0.000 0.999 308 V CB 4.538 36.373 31.823 0.021 0.000 1.049 308 V HN -0.364 8.116 8.190 0.040 -0.266 0.431 309 I N 5.924 126.540 120.570 0.077 0.000 2.363 309 I HA 0.335 4.572 4.170 0.112 0.000 0.292 309 I C -2.186 173.964 176.117 0.055 0.000 1.075 309 I CA -1.886 59.466 61.300 0.088 0.000 1.333 309 I CB 0.084 38.135 38.000 0.086 0.000 1.415 309 I HN 0.229 8.482 8.210 0.071 0.000 0.502 310 P HA 0.058 4.443 4.420 -0.058 0.000 0.274 310 P C -0.144 177.125 177.300 -0.053 0.000 1.246 310 P CA -0.073 63.000 63.100 -0.046 0.000 0.795 310 P CB 0.380 31.972 31.700 -0.180 0.000 1.006 311 G N -1.002 107.734 108.800 -0.107 0.000 2.153 311 G HA2 -0.398 3.634 3.960 -0.115 0.000 0.252 311 G HA3 -0.398 3.492 3.960 -0.117 0.000 0.252 311 G C -0.046 174.836 174.900 -0.030 0.000 0.994 311 G CA 0.491 45.534 45.100 -0.095 0.000 0.698 311 G HN 0.485 8.706 8.290 -0.115 0.000 0.521 312 G N -2.601 106.189 108.800 -0.016 0.000 2.162 312 G HA2 -0.429 3.705 3.960 -0.003 0.000 0.260 312 G HA3 -0.429 3.528 3.960 -0.005 0.000 0.260 312 G C 0.077 174.983 174.900 0.010 0.000 0.976 312 G CA -0.126 44.972 45.100 -0.003 0.000 0.655 312 G HN -0.051 8.185 8.290 -0.021 0.041 0.533 313 L N -0.324 120.913 121.223 0.023 0.000 2.476 313 L HA -0.005 4.436 4.340 0.020 -0.088 0.264 313 L C -0.381 176.499 176.870 0.018 0.000 1.224 313 L CA 0.993 55.850 54.840 0.028 0.000 0.821 313 L CB 0.871 42.965 42.059 0.059 0.000 1.101 313 L HN -0.787 7.372 8.230 0.026 0.087 0.488 314 T N -7.017 107.539 114.554 0.003 0.000 2.693 314 T HA 0.266 4.625 4.350 0.015 0.000 0.278 314 T C 0.648 175.330 174.700 -0.031 0.000 0.994 314 T CA -2.400 59.700 62.100 -0.000 0.000 1.033 314 T CB 2.918 71.786 68.868 -0.000 0.000 1.342 314 T HN -0.004 8.611 8.240 -0.004 -0.378 0.538 315 V N 0.325 120.222 119.914 -0.028 0.000 2.688 315 V HA -0.168 3.844 4.120 -0.180 0.000 0.256 315 V C 1.166 177.184 176.094 -0.127 0.000 1.084 315 V CA 2.851 65.092 62.300 -0.098 0.000 1.103 315 V CB -0.329 31.487 31.823 -0.011 0.000 0.688 315 V HN 0.418 8.609 8.190 0.002 0.000 0.480 316 D N -1.094 119.264 120.400 -0.071 0.000 2.269 316 D HA -0.141 4.456 4.640 -0.072 0.000 0.208 316 D C 0.680 176.931 176.300 -0.082 0.000 0.963 316 D CA 2.290 56.249 54.000 -0.068 0.000 0.864 316 D CB 0.107 40.883 40.800 -0.039 0.000 0.936 316 D HN -0.437 7.858 8.370 -0.047 0.046 0.505 317 D N -2.592 117.758 120.400 -0.083 0.000 2.349 317 D HA 0.050 4.647 4.640 -0.072 0.000 0.215 317 D C -0.558 175.666 176.300 -0.127 0.000 1.016 317 D CA 0.848 54.799 54.000 -0.082 0.000 0.870 317 D CB 0.644 41.417 40.800 -0.044 0.000 0.917 317 D HN -0.325 7.858 8.370 -0.075 0.142 0.524 318 I N -0.286 120.161 120.570 -0.205 0.000 2.416 318 I HA -0.058 4.087 4.170 -0.254 -0.127 0.288 318 I C 0.059 176.027 176.117 -0.248 0.000 1.051 318 I CA -1.398 59.714 61.300 -0.313 0.000 1.375 318 I CB -0.555 37.035 38.000 -0.683 0.000 1.407 318 I HN -0.648 7.250 8.210 -0.206 0.188 0.516 319 E N 9.136 129.221 120.200 -0.193 0.000 1.856 319 E HA -0.042 4.231 4.350 -0.129 0.000 0.263 319 E C -0.929 175.593 176.600 -0.131 0.000 1.137 319 E CA -0.865 55.450 56.400 -0.143 0.000 1.007 319 E CB -1.212 28.416 29.700 -0.121 0.000 1.117 319 E HN 0.026 8.277 8.360 -0.181 0.000 0.438 320 V N 3.283 123.119 119.914 -0.131 0.000 2.493 320 V HA -0.139 3.962 4.120 -0.032 0.000 0.292 320 V C 0.305 176.393 176.094 -0.009 0.000 1.016 320 V CA 1.200 63.470 62.300 -0.050 0.000 1.097 320 V CB -0.778 31.038 31.823 -0.012 0.000 0.947 320 V HN -0.397 7.706 8.190 -0.145 0.000 0.479 321 S N 5.586 121.300 115.700 0.022 0.000 2.666 321 S HA 0.119 4.578 4.470 -0.018 0.000 0.239 321 S C -1.187 173.427 174.600 0.023 0.000 1.031 321 S CA -0.140 58.059 58.200 -0.003 0.000 1.015 321 S CB 1.609 64.781 63.200 -0.047 0.000 0.981 321 S HN 0.469 8.819 8.310 0.066 0.000 0.547 322 c N 4.360 122.997 118.600 0.061 0.000 2.225 322 c HA 0.630 5.226 4.570 0.043 0.000 0.328 322 c C -1.110 173.007 174.090 0.045 0.000 1.187 322 c CA -3.483 52.880 56.329 0.057 0.000 1.665 322 c CB -0.164 42.391 42.510 0.075 0.000 2.253 322 c HN -0.645 7.767 8.230 0.089 -0.129 0.497 323 P HA -0.029 4.404 4.420 0.021 0.000 0.233 323 P C -0.486 176.827 177.300 0.022 0.000 1.167 323 P CA 1.258 64.370 63.100 0.021 0.000 0.770 323 P CB 0.051 31.758 31.700 0.011 0.000 0.837 324 S N -4.039 111.675 115.700 0.024 0.000 2.539 324 S HA 0.093 4.573 4.470 0.017 0.000 0.221 324 S C -0.089 174.524 174.600 0.021 0.000 0.987 324 S CA -0.038 58.174 58.200 0.019 0.000 0.929 324 S CB 0.579 63.789 63.200 0.016 0.000 0.832 324 S HN 0.058 8.327 8.310 0.027 0.057 0.492 325 E N 1.746 121.964 120.200 0.029 0.000 2.272 325 E HA 0.492 4.852 4.350 0.016 0.000 0.269 325 E C -2.724 173.903 176.600 0.045 0.000 0.877 325 E CA -2.805 53.610 56.400 0.025 0.000 0.755 325 E CB 1.713 31.421 29.700 0.013 0.000 1.192 325 E HN -0.707 7.676 8.360 0.037 0.000 0.422 326 P HA 0.112 4.585 4.420 0.088 0.000 0.271 326 P C -1.081 176.272 177.300 0.089 0.000 1.218 326 P CA -0.329 62.813 63.100 0.069 0.000 0.780 326 P CB 0.744 32.470 31.700 0.043 0.000 0.901 327 F N 2.079 122.032 119.950 0.005 0.000 2.578 327 F HA -0.051 4.483 4.527 0.011 0.000 0.376 327 F C -1.454 174.349 175.800 0.005 0.000 1.085 327 F CA -1.589 56.416 58.000 0.008 0.000 1.260 327 F CB 0.344 39.350 39.000 0.011 0.000 1.095 327 F HN -0.020 8.445 8.300 0.276 0.000 0.573 328 P HA -0.044 4.265 4.420 -0.185 0.000 0.269 328 P C -1.711 175.510 177.300 -0.132 0.000 1.215 328 P CA -0.416 62.492 63.100 -0.320 0.000 0.780 328 P CB 0.906 32.360 31.700 -0.410 0.000 0.898 329 E N 1.019 121.189 120.200 -0.049 0.000 2.081 329 E HA -0.093 4.293 4.350 0.061 0.000 0.270 329 E C -0.764 175.839 176.600 0.006 0.000 1.180 329 E CA 0.047 56.455 56.400 0.014 0.000 0.926 329 E CB -1.102 28.602 29.700 0.007 0.000 1.035 329 E HN 0.203 8.525 8.360 -0.063 0.000 0.418 330 I N 5.771 126.376 120.570 0.058 0.000 2.441 330 I HA 0.043 4.228 4.170 0.024 0.000 0.295 330 I C -0.668 175.488 176.117 0.066 0.000 0.994 330 I CA -1.141 60.196 61.300 0.062 0.000 1.144 330 I CB 1.800 39.875 38.000 0.124 0.000 1.314 330 I HN -0.465 7.812 8.210 0.112 0.000 0.445 331 A N 6.796 129.640 122.820 0.040 0.000 2.466 331 A HA 0.064 4.403 4.320 0.030 0.000 0.238 331 A C -0.816 176.791 177.584 0.039 0.000 1.074 331 A CA 0.062 52.118 52.037 0.032 0.000 0.774 331 A CB 0.879 19.890 19.000 0.018 0.000 1.015 331 A HN 0.456 8.624 8.150 0.030 0.000 0.498 332 T N -0.151 114.420 114.554 0.029 0.000 2.889 332 T HA 0.613 5.122 4.350 0.033 -0.139 0.278 332 T C 1.176 175.882 174.700 0.010 0.000 0.995 332 T CA -1.658 60.458 62.100 0.025 0.000 0.966 332 T CB 1.432 70.314 68.868 0.023 0.000 1.237 332 T HN -0.115 8.139 8.240 0.025 0.000 0.591 333 A N -0.219 122.602 122.820 0.002 0.000 2.504 333 A HA 0.524 4.846 4.320 0.003 0.000 0.285 333 A C 0.070 177.646 177.584 -0.013 0.000 1.261 333 A CA -0.720 51.311 52.037 -0.010 0.000 0.741 333 A CB 0.621 19.607 19.000 -0.023 0.000 1.327 333 A HN 0.211 nan 8.150 nan 0.000 0.441 334 S N 0.136 115.824 115.700 -0.020 0.000 2.601 334 S HA 0.260 4.732 4.470 0.003 0.000 0.271 334 S C 1.288 175.871 174.600 -0.027 0.000 1.305 334 S CA -1.052 57.136 58.200 -0.020 0.000 1.022 334 S CB 0.495 63.684 63.200 -0.019 0.000 0.940 334 S HN 0.137 nan 8.310 nan 0.000 0.525 335 G N 1.124 109.912 108.800 -0.021 0.000 2.588 335 G HA2 0.264 4.226 3.960 0.003 0.000 0.278 335 G HA3 0.264 4.226 3.960 0.003 0.000 0.278 335 G C -2.330 172.553 174.900 -0.029 0.000 1.307 335 G CA -0.995 44.090 45.100 -0.026 0.000 1.016 335 G HN 0.160 nan 8.290 nan 0.000 0.503 336 P HA 0.031 nan 4.420 nan 0.000 0.293 336 P C 0.180 177.452 177.300 -0.046 0.000 1.304 336 P CA -1.088 61.996 63.100 -0.026 0.000 0.767 336 P CB 0.418 32.108 31.700 -0.018 0.000 1.247 337 L N 0.887 122.091 121.223 -0.031 0.000 2.543 337 L HA 0.030 4.371 4.340 0.003 0.000 0.285 337 L C -1.247 175.549 176.870 -0.124 0.000 1.236 337 L CA -1.866 52.940 54.840 -0.056 0.000 0.871 337 L CB -1.380 40.703 42.059 0.040 0.000 1.121 337 L HN -0.014 nan 8.230 nan 0.000 0.501 338 P HA 0.047 4.368 4.420 -0.165 0.000 0.274 338 P C -1.870 175.349 177.300 -0.136 0.000 1.256 338 P CA -0.548 62.397 63.100 -0.259 0.000 0.795 338 P CB 1.032 32.462 31.700 -0.450 0.000 1.038 339 S N -0.744 114.921 115.700 -0.058 0.000 2.596 339 S HA 0.110 4.823 4.470 0.081 -0.195 0.318 339 S C 0.033 174.652 174.600 0.032 0.000 1.097 339 S CA -1.035 57.182 58.200 0.028 0.000 1.080 339 S CB 0.884 64.105 63.200 0.035 0.000 0.991 339 S HN -0.190 8.079 8.310 -0.068 0.000 0.471 340 L N 7.862 129.140 121.223 0.093 0.000 2.360 340 L HA 0.111 4.479 4.340 0.047 0.000 0.276 340 L C 0.030 176.940 176.870 0.067 0.000 1.121 340 L CA -0.255 54.635 54.840 0.084 0.000 0.845 340 L CB 0.237 42.384 42.059 0.147 0.000 1.143 340 L HN 0.176 8.499 8.230 0.156 0.000 0.452 341 A N 6.015 128.861 122.820 0.043 0.000 2.466 341 A HA 0.077 4.423 4.320 0.044 0.000 0.238 341 A C -1.794 175.815 177.584 0.043 0.000 1.074 341 A CA -1.601 50.460 52.037 0.040 0.000 0.774 341 A CB -1.217 17.799 19.000 0.027 0.000 1.015 341 A HN 0.253 8.422 8.150 0.032 0.000 0.498 342 P HA -0.242 4.323 4.420 0.025 -0.131 0.266 342 P C -1.026 176.281 177.300 0.011 0.000 1.195 342 P CA 0.078 63.198 63.100 0.033 0.000 0.768 342 P CB 0.548 32.286 31.700 0.064 0.000 0.838 343 A N 4.622 127.429 122.820 -0.021 0.000 2.498 343 A HA 0.037 4.348 4.320 -0.015 0.000 0.239 343 A C -1.135 176.434 177.584 -0.024 0.000 1.068 343 A CA -1.242 50.777 52.037 -0.030 0.000 0.766 343 A CB -0.751 18.211 19.000 -0.063 0.000 1.003 343 A HN 0.083 8.210 8.150 -0.038 0.000 0.497 344 P HA 0.000 4.428 4.420 0.014 0.000 0.216 344 P CA 0.000 63.100 63.100 -0.001 0.000 0.800 344 P CB 0.000 31.699 31.700 -0.002 0.000 0.726