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 2p74_1_B DATA FIRST_RESID 28 DATA SEQUENCE AVQQKLAALE KSSGGRLGVA LIDTADNTQV XLYRGDERFP MCSTSKVMAA DATA SEQUENCE AAVLKQSETQ KQLLNQPVEI KPADLVNYNP IAEKHVNGTM TLAELSAAAL DATA SEQUENCE QYSDNTAMNK LIAQLGGPGG VTAFARAIGD ETFRLDRTEP TLNTAIPGDP DATA SEQUENCE RDTTTPRAMA QTLRQLTLGH ALGETQRAQL VTWLKGNTTG AASIRAGLPT DATA SEQUENCE SWTAGDKTGS GXDYGTTNDI AVIWPXQGRA PLVLVTYFTQ PQQNAESRRD DATA SEQUENCE VLASAARIIA EGL 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 28 A HA 0.000 4.326 4.320 0.010 0.000 0.244 28 A C 0.000 177.588 177.584 0.006 0.000 1.274 28 A CA 0.000 52.044 52.037 0.011 0.000 0.836 28 A CB 0.000 19.005 19.000 0.008 0.000 0.831 29 V N 1.017 120.938 119.914 0.011 0.000 2.223 29 V HA -0.441 3.673 4.120 -0.011 0.000 0.244 29 V C 0.710 176.804 176.094 0.001 0.000 1.045 29 V CA 4.001 66.303 62.300 0.003 0.000 1.000 29 V CB -0.431 31.400 31.823 0.014 0.000 0.635 29 V HN 0.138 8.338 8.190 0.016 0.000 0.445 30 Q N -2.585 117.240 119.800 0.042 0.000 2.181 30 Q HA -0.353 4.034 4.340 0.077 0.000 0.205 30 Q C 2.031 178.056 176.000 0.042 0.000 0.980 30 Q CA 4.020 59.876 55.803 0.088 0.000 0.862 30 Q CB -0.552 28.291 28.738 0.175 0.000 0.905 30 Q HN 0.524 8.825 8.270 0.052 0.000 0.429 31 Q N 0.086 119.907 119.800 0.036 0.000 2.084 31 Q HA -0.291 4.077 4.340 0.047 0.000 0.202 31 Q C 2.166 178.142 176.000 -0.040 0.000 0.978 31 Q CA 3.026 58.840 55.803 0.018 0.000 0.844 31 Q CB -0.996 27.755 28.738 0.023 0.000 0.898 31 Q HN -0.448 7.832 8.270 0.040 0.015 0.426 32 K N -0.286 120.081 120.400 -0.054 0.000 2.147 32 K HA -0.258 4.027 4.320 -0.058 0.000 0.205 32 K C 2.484 179.003 176.600 -0.135 0.000 1.049 32 K CA 2.884 59.127 56.287 -0.073 0.000 0.936 32 K CB -0.270 32.195 32.500 -0.058 0.000 0.722 32 K HN -0.436 7.645 8.250 -0.036 0.147 0.446 33 L N -1.499 119.596 121.223 -0.213 0.000 2.072 33 L HA -0.258 3.889 4.340 -0.322 0.000 0.205 33 L C 1.824 178.368 176.870 -0.543 0.000 1.079 33 L CA 2.995 57.584 54.840 -0.417 0.000 0.752 33 L CB -0.401 41.316 42.059 -0.571 0.000 0.906 33 L HN -0.109 8.009 8.230 -0.170 0.010 0.436 34 A N -0.835 121.741 122.820 -0.408 0.000 1.933 34 A HA -0.265 3.981 4.320 -0.125 0.000 0.218 34 A C 1.834 179.385 177.584 -0.054 0.000 1.175 34 A CA 2.811 54.767 52.037 -0.134 0.000 0.628 34 A CB -0.825 18.234 19.000 0.098 0.000 0.814 34 A HN 0.341 8.228 8.150 -0.295 0.087 0.444 35 A N -1.201 121.580 122.820 -0.065 0.000 1.898 35 A HA -0.201 4.114 4.320 -0.007 0.000 0.216 35 A C 1.726 179.282 177.584 -0.046 0.000 1.181 35 A CA 2.749 54.765 52.037 -0.034 0.000 0.620 35 A CB -0.672 18.308 19.000 -0.033 0.000 0.819 35 A HN -0.298 7.787 8.150 -0.084 0.015 0.442 36 L N 0.016 121.185 121.223 -0.090 0.000 2.012 36 L HA -0.352 3.940 4.340 -0.079 0.000 0.210 36 L C 1.436 178.270 176.870 -0.059 0.000 1.073 36 L CA 2.924 57.706 54.840 -0.095 0.000 0.748 36 L CB -0.488 41.486 42.059 -0.141 0.000 0.891 36 L HN -0.127 8.032 8.230 -0.118 0.000 0.431 37 E N -1.143 119.028 120.200 -0.047 0.000 2.058 37 E HA -0.474 3.953 4.350 0.129 0.000 0.194 37 E C 2.171 178.840 176.600 0.115 0.000 0.997 37 E CA 2.963 59.415 56.400 0.087 0.000 0.801 37 E CB -0.124 29.669 29.700 0.155 0.000 0.746 37 E HN -0.288 8.003 8.360 -0.115 0.000 0.450 38 K N -1.805 118.640 120.400 0.076 0.000 2.020 38 K HA -0.380 3.994 4.320 0.090 0.000 0.212 38 K C 2.857 179.495 176.600 0.063 0.000 1.050 38 K CA 3.421 59.752 56.287 0.072 0.000 0.929 38 K CB -0.170 32.359 32.500 0.049 0.000 0.714 38 K HN -0.250 8.030 8.250 0.050 0.000 0.443 39 S N -1.494 114.228 115.700 0.036 0.000 2.382 39 S HA -0.107 4.379 4.470 0.027 0.000 0.228 39 S C 2.027 176.654 174.600 0.045 0.000 1.027 39 S CA 2.750 60.965 58.200 0.025 0.000 0.991 39 S CB -0.297 62.901 63.200 -0.004 0.000 0.823 39 S HN -0.386 7.937 8.310 0.022 0.000 0.469 40 S N -0.271 115.467 115.700 0.064 0.000 2.447 40 S HA -0.132 4.379 4.470 0.069 0.000 0.233 40 S C 1.218 175.950 174.600 0.220 0.000 1.006 40 S CA 1.359 59.632 58.200 0.121 0.000 0.957 40 S CB 0.259 63.518 63.200 0.097 0.000 0.773 40 S HN -0.358 7.871 8.310 0.055 0.114 0.507 41 G N 2.794 111.702 108.800 0.179 0.000 2.184 41 G HA2 -0.281 3.749 3.960 0.116 0.000 0.264 41 G HA3 -0.281 3.759 3.960 0.132 0.000 0.264 41 G C -0.169 174.826 174.900 0.159 0.000 0.975 41 G CA 0.513 45.703 45.100 0.151 0.000 0.642 41 G HN -0.457 7.769 8.290 0.149 0.153 0.536 42 G N -0.226 108.729 108.800 0.259 0.000 3.008 42 G HA2 0.497 4.448 3.960 -0.015 0.000 0.181 42 G HA3 0.497 4.430 3.960 -0.170 -0.075 0.181 42 G C -2.076 172.912 174.900 0.148 0.000 1.309 42 G CA -1.200 43.941 45.100 0.068 0.000 1.009 42 G HN -0.511 7.953 8.290 0.405 0.070 0.584 43 R N 0.311 120.830 120.500 0.031 0.000 2.451 43 R HA 0.300 4.980 4.340 0.273 -0.176 0.307 43 R C -2.089 174.506 176.300 0.492 0.000 0.965 43 R CA -0.863 55.371 56.100 0.223 0.000 0.865 43 R CB 3.064 33.409 30.300 0.075 0.000 1.174 43 R HN 0.229 8.328 8.270 -0.285 0.000 0.455 44 L N 8.016 129.603 121.223 0.608 0.000 2.322 44 L HA 0.805 5.664 4.340 0.595 -0.162 0.281 44 L C -1.398 175.776 176.870 0.507 0.000 1.014 44 L CA -1.732 53.451 54.840 0.571 0.000 0.815 44 L CB 3.391 45.700 42.059 0.416 0.000 1.247 44 L HN 0.267 9.185 8.230 0.556 -0.354 0.421 45 G N 6.005 114.842 108.800 0.062 0.000 2.609 45 G HA2 0.529 4.833 3.960 0.237 0.000 0.308 45 G HA3 0.529 4.095 3.960 -0.658 0.000 0.308 45 G C -2.393 172.509 174.900 0.003 0.000 1.369 45 G CA -0.504 44.545 45.100 -0.086 0.000 0.958 45 G HN 0.738 8.973 8.290 -0.091 0.000 0.499 46 V N 4.558 124.556 119.914 0.140 0.000 2.709 46 V HA 0.976 5.360 4.120 0.074 -0.220 0.308 46 V C -2.215 173.946 176.094 0.111 0.000 1.062 46 V CA -2.439 59.928 62.300 0.112 0.000 0.901 46 V CB 4.030 35.922 31.823 0.115 0.000 1.003 46 V HN 0.624 8.941 8.190 0.211 0.000 0.425 47 A N 6.528 129.399 122.820 0.086 0.000 2.402 47 A HA 0.805 5.358 4.320 0.072 -0.190 0.291 47 A C -2.700 174.911 177.584 0.046 0.000 1.051 47 A CA -1.373 50.707 52.037 0.071 0.000 0.716 47 A CB 3.517 22.562 19.000 0.075 0.000 1.223 47 A HN 0.606 8.803 8.150 0.078 0.000 0.425 48 L N 5.078 126.322 121.223 0.035 0.000 2.317 48 L HA 1.001 5.533 4.340 0.007 -0.188 0.281 48 L C -2.002 174.871 176.870 0.005 0.000 1.024 48 L CA -1.719 53.130 54.840 0.015 0.000 0.810 48 L CB 3.795 45.865 42.059 0.018 0.000 1.240 48 L HN 0.400 8.655 8.230 0.043 0.000 0.427 49 I N 5.263 125.823 120.570 -0.016 0.000 2.389 49 I HA 0.444 4.765 4.170 -0.016 -0.161 0.288 49 I C -2.002 174.085 176.117 -0.050 0.000 0.999 49 I CA -1.153 60.131 61.300 -0.027 0.000 1.129 49 I CB 2.409 40.390 38.000 -0.032 0.000 1.288 49 I HN 0.774 8.970 8.210 -0.024 0.000 0.444 50 D N 7.130 127.505 120.400 -0.043 0.000 2.347 50 D HA 0.320 4.910 4.640 -0.082 0.000 0.235 50 D C 0.492 176.754 176.300 -0.064 0.000 1.149 50 D CA -1.332 52.631 54.000 -0.061 0.000 0.850 50 D CB 1.802 42.577 40.800 -0.042 0.000 1.061 50 D HN 0.299 8.652 8.370 -0.029 0.000 0.487 51 T N 1.174 115.675 114.554 -0.088 0.000 3.160 51 T HA -0.018 4.300 4.350 -0.053 0.000 0.257 51 T C 1.158 175.824 174.700 -0.055 0.000 1.147 51 T CA 0.829 62.888 62.100 -0.068 0.000 1.064 51 T CB 0.010 68.830 68.868 -0.080 0.000 0.949 51 T HN 0.050 8.220 8.240 -0.116 0.000 0.526 52 A N 2.741 125.524 122.820 -0.060 0.000 1.845 52 A HA -0.211 4.082 4.320 -0.044 0.000 0.215 52 A C 0.670 178.236 177.584 -0.029 0.000 1.195 52 A CA 2.663 54.673 52.037 -0.045 0.000 0.616 52 A CB -0.076 18.894 19.000 -0.050 0.000 0.832 52 A HN 0.164 8.620 8.150 -0.072 -0.349 0.443 53 D N -5.323 115.062 120.400 -0.025 0.000 2.469 53 D HA 0.002 4.634 4.640 -0.014 0.000 0.215 53 D C 0.321 176.613 176.300 -0.014 0.000 1.154 53 D CA -1.392 52.599 54.000 -0.016 0.000 0.832 53 D CB 0.981 41.774 40.800 -0.011 0.000 1.008 53 D HN -0.590 7.762 8.370 -0.029 0.000 0.506 54 N N -3.094 115.595 118.700 -0.019 0.000 2.909 54 N HA -0.379 4.434 4.740 -0.022 -0.086 0.242 54 N C -1.104 174.399 175.510 -0.011 0.000 0.975 54 N CA 1.813 54.853 53.050 -0.016 0.000 0.921 54 N CB -1.539 36.941 38.487 -0.011 0.000 1.112 54 N HN 0.125 8.490 8.380 -0.025 0.000 0.581 55 T N -3.796 110.752 114.554 -0.010 0.000 2.860 55 T HA 0.007 4.357 4.350 -0.000 0.000 0.299 55 T C -1.118 173.581 174.700 -0.002 0.000 1.045 55 T CA 0.112 62.210 62.100 -0.003 0.000 1.071 55 T CB 1.486 70.353 68.868 -0.001 0.000 0.985 55 T HN -0.227 8.314 8.240 -0.014 -0.309 0.537 56 Q N 0.450 120.255 119.800 0.008 0.000 2.423 56 Q HA 0.794 5.344 4.340 0.011 -0.203 0.278 56 Q C -0.618 175.397 176.000 0.025 0.000 1.097 56 Q CA -1.466 54.345 55.803 0.014 0.000 0.809 56 Q CB 4.618 33.366 28.738 0.017 0.000 1.391 56 Q HN 0.173 8.449 8.270 0.010 0.000 0.428 60 Y N 1.901 122.233 120.300 0.054 0.000 2.332 60 Y HA 0.202 4.790 4.550 0.063 0.000 0.325 60 Y C -0.890 175.075 175.900 0.108 0.000 1.054 60 Y CA 0.140 58.282 58.100 0.069 0.000 1.119 60 Y CB 3.131 41.627 38.460 0.061 0.000 1.168 60 Y HN 0.672 9.074 8.280 0.205 0.000 0.439 61 R N 2.564 122.857 120.500 -0.345 0.000 3.516 61 R HA -0.423 3.832 4.340 -0.141 0.000 0.271 61 R C -0.414 175.943 176.300 0.095 0.000 1.098 61 R CA 1.109 57.154 56.100 -0.091 0.000 0.732 61 R CB -1.857 28.477 30.300 0.057 0.000 1.152 61 R HN 0.558 8.498 8.270 -0.549 0.000 0.455 62 G N -1.817 107.011 108.800 0.047 0.000 2.471 62 G HA2 -0.203 3.814 3.960 0.095 0.000 0.219 62 G HA3 -0.203 3.790 3.960 0.056 0.000 0.219 62 G C -0.200 174.738 174.900 0.064 0.000 1.125 62 G CA 1.330 46.473 45.100 0.072 0.000 0.775 62 G HN 0.282 8.567 8.290 0.001 0.006 0.548 63 D N -2.899 117.523 120.400 0.037 0.000 2.395 63 D HA 0.200 4.854 4.640 0.023 0.000 0.213 63 D C -0.160 176.141 176.300 0.003 0.000 1.110 63 D CA -0.313 53.697 54.000 0.017 0.000 0.835 63 D CB 0.116 40.913 40.800 -0.005 0.000 0.965 63 D HN 0.089 8.431 8.370 0.021 0.040 0.505 64 E N 0.692 120.908 120.200 0.027 0.000 2.343 64 E HA 0.046 4.331 4.350 -0.108 0.000 0.269 64 E C -0.941 175.622 176.600 -0.062 0.000 1.047 64 E CA -0.176 56.180 56.400 -0.072 0.000 0.874 64 E CB 1.038 30.635 29.700 -0.171 0.000 1.033 64 E HN -0.778 7.630 8.360 0.080 0.000 0.409 65 R N 0.418 120.802 120.500 -0.193 0.000 2.441 65 R HA 0.282 4.783 4.340 -0.068 -0.202 0.284 65 R C -0.203 175.876 176.300 -0.370 0.000 1.070 65 R CA 0.410 56.406 56.100 -0.174 0.000 1.047 65 R CB 1.174 31.377 30.300 -0.161 0.000 1.016 65 R HN 0.364 8.507 8.270 -0.211 0.000 0.477 66 F N 2.285 122.097 119.950 -0.230 0.000 2.576 66 F HA 0.453 4.900 4.527 -0.133 0.000 0.313 66 F C -2.991 172.713 175.800 -0.160 0.000 1.078 66 F CA -2.454 55.428 58.000 -0.196 0.000 0.921 66 F CB 3.258 42.106 39.000 -0.253 0.000 1.232 66 F HN 0.462 8.767 8.300 0.009 0.000 0.459 67 P HA 0.113 4.688 4.420 0.021 -0.143 0.271 67 P C -1.267 176.143 177.300 0.184 0.000 1.226 67 P CA -0.139 63.012 63.100 0.085 0.000 0.765 67 P CB 0.293 32.039 31.700 0.076 0.000 0.835 68 M N 1.147 120.832 119.600 0.142 0.000 2.288 68 M HA -0.094 4.674 4.480 0.480 0.000 0.266 68 M C 1.318 177.747 176.300 0.214 0.000 1.072 68 M CA 2.795 58.253 55.300 0.263 0.000 1.132 68 M CB 1.017 33.723 32.600 0.177 0.000 1.386 68 M HN -0.207 8.119 8.290 0.060 0.000 0.432 69 C N -3.180 116.202 119.300 0.136 0.000 0.168 69 C HA -0.456 4.180 4.460 0.088 -0.123 0.017 69 C C 2.077 177.132 174.990 0.108 0.000 0.171 69 C CA 1.679 60.761 59.018 0.107 0.000 0.499 69 C CB -2.086 25.714 27.740 0.100 0.000 3.212 69 C HN 0.288 8.584 8.230 0.111 0.000 1.118 70 S N 1.845 117.599 115.700 0.090 0.000 2.595 70 S HA -0.116 4.411 4.470 0.096 0.000 0.235 70 S C 2.266 176.926 174.600 0.099 0.000 0.974 70 S CA 2.935 61.189 58.200 0.089 0.000 0.942 70 S CB 0.090 63.334 63.200 0.074 0.000 0.766 70 S HN 0.498 8.854 8.310 0.077 0.000 0.536 71 T N -1.224 113.397 114.554 0.111 0.000 2.929 71 T HA -0.256 4.148 4.350 0.091 0.000 0.271 71 T C 1.585 176.402 174.700 0.194 0.000 1.085 71 T CA 3.210 65.385 62.100 0.126 0.000 1.125 71 T CB -0.330 68.602 68.868 0.107 0.000 0.874 71 T HN -0.322 7.933 8.240 0.113 0.053 0.494 72 S N 0.511 116.345 115.700 0.223 0.000 2.474 72 S HA -0.148 4.588 4.470 0.443 0.000 0.235 72 S C 1.518 176.258 174.600 0.234 0.000 0.997 72 S CA 2.504 60.890 58.200 0.310 0.000 0.949 72 S CB -1.147 62.213 63.200 0.268 0.000 0.766 72 S HN -0.353 8.040 8.310 0.193 0.033 0.517 73 K N 2.210 122.700 120.400 0.150 0.000 2.152 73 K HA -0.234 4.143 4.320 0.095 0.000 0.206 73 K C 1.851 178.504 176.600 0.088 0.000 1.048 73 K CA 2.932 59.278 56.287 0.099 0.000 0.933 73 K CB -0.368 32.170 32.500 0.064 0.000 0.721 73 K HN -0.514 7.663 8.250 0.139 0.157 0.447 74 V N -0.006 119.975 119.914 0.111 0.000 2.295 74 V HA -0.434 3.746 4.120 0.099 0.000 0.246 74 V C 1.899 178.051 176.094 0.097 0.000 1.049 74 V CA 3.998 66.362 62.300 0.107 0.000 1.024 74 V CB -0.656 31.236 31.823 0.116 0.000 0.648 74 V HN -0.657 7.588 8.190 0.127 0.021 0.447 75 M N -0.011 119.648 119.600 0.098 0.000 2.073 75 M HA -0.448 4.068 4.480 0.060 0.000 0.258 75 M C 1.649 177.967 176.300 0.029 0.000 1.070 75 M CA 3.208 58.527 55.300 0.032 0.000 1.103 75 M CB -0.551 31.904 32.600 -0.242 0.000 1.321 75 M HN -0.676 7.698 8.290 0.140 0.000 0.405 76 A N -2.465 120.388 122.820 0.055 0.000 1.898 76 A HA -0.385 3.933 4.320 -0.004 0.000 0.216 76 A C 1.468 179.018 177.584 -0.057 0.000 1.181 76 A CA 3.021 55.064 52.037 0.010 0.000 0.620 76 A CB -0.784 18.247 19.000 0.051 0.000 0.819 76 A HN -0.583 7.628 8.150 0.101 0.000 0.442 77 A N -1.766 121.041 122.820 -0.022 0.000 1.902 77 A HA -0.291 4.006 4.320 -0.038 0.000 0.217 77 A C 1.542 179.120 177.584 -0.010 0.000 1.181 77 A CA 2.698 54.727 52.037 -0.012 0.000 0.623 77 A CB -0.431 18.573 19.000 0.007 0.000 0.818 77 A HN -0.103 8.052 8.150 0.008 0.000 0.443 78 A N -1.759 121.039 122.820 -0.038 0.000 1.933 78 A HA -0.420 3.894 4.320 -0.009 0.000 0.218 78 A C 1.354 178.578 177.584 -0.600 0.000 1.175 78 A CA 2.941 54.909 52.037 -0.116 0.000 0.628 78 A CB -0.522 18.528 19.000 0.084 0.000 0.814 78 A HN -0.139 8.012 8.150 0.002 0.000 0.444 79 A N -1.869 120.403 122.820 -0.912 0.000 1.902 79 A HA -0.393 2.423 4.320 -2.506 0.000 0.217 79 A C 1.670 178.925 177.584 -0.548 0.000 1.181 79 A CA 3.099 54.357 52.037 -1.300 0.000 0.623 79 A CB -0.549 18.018 19.000 -0.722 0.000 0.818 79 A HN -0.274 7.530 8.150 -0.577 0.000 0.443 80 V N -0.953 118.794 119.914 -0.279 0.000 2.427 80 V HA -0.380 3.670 4.120 -0.118 0.000 0.248 80 V C 2.066 178.113 176.094 -0.079 0.000 1.051 80 V CA 3.810 66.035 62.300 -0.125 0.000 1.048 80 V CB -0.712 31.079 31.823 -0.053 0.000 0.666 80 V HN -0.531 7.507 8.190 -0.253 0.000 0.456 81 L N -0.394 120.792 121.223 -0.061 0.000 2.012 81 L HA -0.384 3.972 4.340 0.027 0.000 0.210 81 L C 3.136 179.977 176.870 -0.049 0.000 1.073 81 L CA 3.315 58.147 54.840 -0.013 0.000 0.748 81 L CB -0.716 41.357 42.059 0.023 0.000 0.891 81 L HN 0.038 8.226 8.230 -0.071 0.000 0.431 82 K N -0.357 119.969 120.400 -0.123 0.000 2.057 82 K HA -0.251 4.263 4.320 0.022 -0.180 0.207 82 K C 2.950 179.536 176.600 -0.022 0.000 1.049 82 K CA 2.195 58.459 56.287 -0.039 0.000 0.931 82 K CB -0.558 31.942 32.500 0.001 0.000 0.714 82 K HN -0.044 8.061 8.250 -0.241 0.000 0.440 83 Q N -0.744 119.020 119.800 -0.062 0.000 2.096 83 Q HA -0.370 3.968 4.340 -0.003 0.000 0.204 83 Q C 1.996 177.993 176.000 -0.006 0.000 0.982 83 Q CA 3.485 59.275 55.803 -0.023 0.000 0.850 83 Q CB -0.054 28.664 28.738 -0.033 0.000 0.901 83 Q HN -0.219 7.978 8.270 -0.122 0.000 0.422 84 S N -2.350 113.346 115.700 -0.007 0.000 2.547 84 S HA -0.147 4.527 4.470 0.006 -0.201 0.235 84 S C 1.396 176.000 174.600 0.006 0.000 0.980 84 S CA 2.563 60.766 58.200 0.004 0.000 0.941 84 S CB -0.316 62.891 63.200 0.012 0.000 0.763 84 S HN -0.199 8.000 8.310 -0.017 0.100 0.532 85 E N 1.722 121.928 120.200 0.009 0.000 2.274 85 E HA -0.124 4.232 4.350 0.010 0.000 0.194 85 E C 1.253 177.862 176.600 0.015 0.000 0.996 85 E CA 2.339 58.748 56.400 0.014 0.000 0.840 85 E CB 0.061 29.776 29.700 0.026 0.000 0.772 85 E HN -0.445 7.755 8.360 0.008 0.165 0.491 86 T N -5.931 108.632 114.554 0.015 0.000 2.964 86 T HA 0.131 4.489 4.350 0.014 0.000 0.249 86 T C 0.929 175.636 174.700 0.011 0.000 1.000 86 T CA 0.077 62.185 62.100 0.015 0.000 0.992 86 T CB 1.448 70.328 68.868 0.019 0.000 1.087 86 T HN -0.585 7.632 8.240 0.015 0.031 0.489 87 Q N 2.657 122.463 119.800 0.010 0.000 2.571 87 Q HA 0.185 4.530 4.340 0.008 0.000 0.222 87 Q C -0.080 175.924 176.000 0.007 0.000 1.167 87 Q CA -0.904 54.904 55.803 0.008 0.000 0.966 87 Q CB -0.395 28.347 28.738 0.007 0.000 1.274 87 Q HN -0.286 7.990 8.270 0.010 0.000 0.552 88 K N 2.673 123.077 120.400 0.007 0.000 2.365 88 K HA -0.079 4.437 4.320 0.005 -0.192 0.199 88 K C 0.806 177.410 176.600 0.006 0.000 1.045 88 K CA 2.142 58.433 56.287 0.005 0.000 0.962 88 K CB 0.077 32.579 32.500 0.004 0.000 0.759 88 K HN 0.403 8.657 8.250 0.007 0.000 0.469 89 Q N -3.346 116.458 119.800 0.007 0.000 2.198 89 Q HA 0.133 4.478 4.340 0.008 0.000 0.209 89 Q C 0.823 176.829 176.000 0.010 0.000 0.848 89 Q CA -0.973 54.834 55.803 0.008 0.000 0.974 89 Q CB -0.538 28.203 28.738 0.006 0.000 1.115 89 Q HN -0.069 8.169 8.270 0.006 0.036 0.494 90 L N 2.491 123.721 121.223 0.011 0.000 2.042 90 L HA -0.282 4.063 4.340 0.009 0.000 0.210 90 L C 1.180 178.062 176.870 0.019 0.000 1.076 90 L CA 3.147 57.994 54.840 0.012 0.000 0.749 90 L CB -0.068 41.997 42.059 0.010 0.000 0.893 90 L HN -0.461 7.707 8.230 0.010 0.069 0.432 91 L N -5.067 116.175 121.223 0.032 0.000 2.265 91 L HA -0.323 4.052 4.340 0.057 0.000 0.215 91 L C 0.766 177.661 176.870 0.040 0.000 1.117 91 L CA 2.198 57.071 54.840 0.054 0.000 0.782 91 L CB -0.759 41.352 42.059 0.087 0.000 0.914 91 L HN 0.137 8.370 8.230 0.029 0.015 0.441 92 N N -3.086 115.629 118.700 0.025 0.000 2.336 92 N HA -0.027 4.723 4.740 0.017 0.000 0.189 92 N C -0.350 175.163 175.510 0.004 0.000 1.113 92 N CA -0.574 52.484 53.050 0.015 0.000 0.858 92 N CB -0.009 38.485 38.487 0.012 0.000 0.970 92 N HN -0.503 7.847 8.380 0.022 0.043 0.471 93 Q N 1.257 121.059 119.800 0.004 0.000 2.297 93 Q HA 0.185 4.523 4.340 -0.002 0.000 0.267 93 Q C -1.933 174.061 176.000 -0.010 0.000 1.006 93 Q CA -1.554 54.248 55.803 -0.002 0.000 0.896 93 Q CB 0.412 29.149 28.738 -0.001 0.000 1.186 93 Q HN -0.514 7.582 8.270 0.008 0.179 0.392 94 P HA -0.073 4.454 4.420 -0.030 -0.125 0.275 94 P C -1.368 175.921 177.300 -0.018 0.000 1.227 94 P CA -0.552 62.535 63.100 -0.021 0.000 0.781 94 P CB 0.605 32.294 31.700 -0.017 0.000 0.906 95 V N 3.205 123.104 119.914 -0.025 0.000 2.531 95 V HA 0.190 4.302 4.120 -0.013 0.000 0.301 95 V C -1.235 174.849 176.094 -0.017 0.000 1.034 95 V CA -2.121 60.167 62.300 -0.019 0.000 0.865 95 V CB 3.230 35.040 31.823 -0.023 0.000 0.995 95 V HN 0.375 8.545 8.190 -0.034 0.000 0.424 96 E N 7.857 128.052 120.200 -0.009 0.000 2.344 96 E HA 0.093 4.592 4.350 -0.003 -0.150 0.270 96 E C -0.823 175.776 176.600 -0.001 0.000 1.021 96 E CA -0.012 56.386 56.400 -0.003 0.000 0.887 96 E CB 0.637 30.337 29.700 -0.001 0.000 0.997 96 E HN 0.309 8.665 8.360 -0.007 0.000 0.429 97 I N 8.299 128.872 120.570 0.005 0.000 2.330 97 I HA 0.189 4.362 4.170 0.004 0.000 0.286 97 I C -1.197 174.926 176.117 0.009 0.000 1.025 97 I CA -2.529 58.777 61.300 0.009 0.000 1.197 97 I CB -0.872 37.143 38.000 0.025 0.000 1.358 97 I HN 0.462 8.677 8.210 0.009 0.000 0.467 98 K N 7.106 127.508 120.400 0.004 0.000 2.118 98 K HA 0.541 4.863 4.320 0.003 0.000 0.254 98 K C -0.783 175.817 176.600 -0.000 0.000 0.961 98 K CA -2.667 53.621 56.287 0.002 0.000 0.876 98 K CB -0.379 32.122 32.500 0.002 0.000 1.077 98 K HN 0.081 8.675 8.250 0.003 -0.342 0.440 99 P HA -0.270 4.145 4.420 -0.008 0.000 0.216 99 P C 0.455 177.753 177.300 -0.003 0.000 1.150 99 P CA 2.944 66.040 63.100 -0.005 0.000 0.843 99 P CB -0.277 31.420 31.700 -0.006 0.000 0.787 100 A N -6.836 115.984 122.820 -0.000 0.000 2.168 100 A HA -0.223 4.099 4.320 0.002 0.000 0.215 100 A C 0.349 177.935 177.584 0.003 0.000 1.152 100 A CA 1.516 53.555 52.037 0.002 0.000 0.716 100 A CB -0.935 18.067 19.000 0.003 0.000 0.794 100 A HN 0.176 8.292 8.150 -0.000 0.033 0.465 101 D N -3.024 117.377 120.400 0.002 0.000 2.277 101 D HA -0.008 4.636 4.640 0.006 0.000 0.208 101 D C 0.007 176.309 176.300 0.003 0.000 0.962 101 D CA 1.288 55.290 54.000 0.004 0.000 0.865 101 D CB 0.341 41.142 40.800 0.002 0.000 0.939 101 D HN -0.302 7.768 8.370 0.001 0.300 0.510 102 L N -1.378 119.845 121.223 -0.001 0.000 2.490 102 L HA -0.155 4.181 4.340 -0.007 0.000 0.274 102 L C 0.567 177.442 176.870 0.007 0.000 1.201 102 L CA 0.879 55.717 54.840 -0.003 0.000 0.869 102 L CB 0.026 42.078 42.059 -0.012 0.000 1.123 102 L HN -0.784 7.407 8.230 -0.002 0.038 0.484 103 V N 1.210 121.133 119.914 0.015 0.000 6.154 103 V HA 0.164 4.300 4.120 0.027 0.000 0.274 103 V C -0.619 175.502 176.094 0.045 0.000 1.592 103 V CA -2.364 59.954 62.300 0.031 0.000 0.638 103 V CB 1.204 33.050 31.823 0.039 0.000 1.458 103 V HN -0.301 8.096 8.190 0.010 -0.201 0.391 104 N N -0.354 118.391 118.700 0.075 0.000 2.373 104 N HA -0.151 4.637 4.740 0.080 0.000 0.181 104 N C -1.234 174.390 175.510 0.190 0.000 1.082 104 N CA 1.054 54.166 53.050 0.103 0.000 0.885 104 N CB 0.458 39.001 38.487 0.092 0.000 0.977 104 N HN -0.070 8.357 8.380 0.079 0.000 0.462 105 Y N -0.198 120.111 120.300 0.016 0.000 2.278 105 Y HA 0.105 4.665 4.550 0.017 0.000 0.328 105 Y C -2.757 173.155 175.900 0.019 0.000 1.166 105 Y CA -0.171 57.941 58.100 0.020 0.000 1.211 105 Y CB 1.416 39.892 38.460 0.027 0.000 1.167 105 Y HN -0.598 7.780 8.280 0.163 0.000 0.434 106 N N 5.812 124.259 118.700 -0.422 0.000 2.646 106 N HA 0.442 5.293 4.740 -0.252 -0.263 0.303 106 N C -2.083 173.216 175.510 -0.351 0.000 1.921 106 N CA -1.842 51.031 53.050 -0.294 0.000 0.872 106 N CB 0.277 38.686 38.487 -0.131 0.000 1.327 106 N HN 0.432 8.552 8.380 -0.434 0.000 0.492 107 P HA -0.031 4.196 4.420 -0.323 0.000 0.218 107 P C -0.515 176.617 177.300 -0.279 0.000 1.149 107 P CA 2.151 65.021 63.100 -0.383 0.000 0.817 107 P CB 0.385 31.857 31.700 -0.379 0.000 0.785 108 I N -3.781 116.636 120.570 -0.256 0.000 2.729 108 I HA -0.006 4.031 4.170 -0.222 0.000 0.256 108 I C 1.839 177.923 176.117 -0.055 0.000 1.115 108 I CA -0.568 60.619 61.300 -0.189 0.000 1.446 108 I CB -0.731 37.143 38.000 -0.211 0.000 1.176 108 I HN -0.179 8.120 8.210 -0.253 -0.240 0.446 109 A N 1.040 123.826 122.820 -0.056 0.000 1.972 109 A HA -0.234 4.136 4.320 0.084 0.000 0.219 109 A C 1.281 178.846 177.584 -0.031 0.000 1.169 109 A CA 2.586 54.624 52.037 0.003 0.000 0.635 109 A CB -0.421 18.564 19.000 -0.025 0.000 0.810 109 A HN 0.023 8.476 8.150 -0.097 -0.360 0.446 110 E N -2.724 117.420 120.200 -0.093 0.000 2.160 110 E HA -0.326 3.977 4.350 -0.078 0.000 0.195 110 E C 2.687 179.198 176.600 -0.149 0.000 0.991 110 E CA 2.442 58.779 56.400 -0.104 0.000 0.810 110 E CB -0.237 29.395 29.700 -0.114 0.000 0.742 110 E HN -0.514 7.753 8.360 -0.118 0.022 0.466 111 K N -0.571 119.684 120.400 -0.242 0.000 2.283 111 K HA -0.179 3.951 4.320 -0.318 0.000 0.202 111 K C 1.773 178.026 176.600 -0.578 0.000 1.048 111 K CA 1.791 57.812 56.287 -0.443 0.000 0.948 111 K CB 0.109 32.239 32.500 -0.616 0.000 0.742 111 K HN -0.440 7.646 8.250 -0.213 0.036 0.458 112 H N -2.560 116.473 119.070 -0.062 0.000 2.674 112 H HA 0.218 4.747 4.556 -0.044 0.000 0.274 112 H C -1.647 173.657 175.328 -0.040 0.000 1.121 112 H CA -1.326 54.692 56.048 -0.049 0.000 1.132 112 H CB 0.797 30.527 29.762 -0.053 0.000 1.606 112 H HN -0.233 nan 8.280 nan 0.000 0.558 113 V N 1.483 121.404 119.914 0.013 0.000 2.788 113 V HA -0.483 3.788 4.120 0.016 -0.141 0.307 113 V C 0.654 176.752 176.094 0.007 0.000 1.069 113 V CA 1.765 64.068 62.300 0.005 0.000 1.173 113 V CB 0.050 31.862 31.823 -0.019 0.000 0.925 113 V HN -0.509 7.661 8.190 -0.033 0.000 0.492 114 N N 1.189 119.895 118.700 0.009 0.000 2.741 114 N HA -0.307 4.437 4.740 0.006 0.000 0.251 114 N C -1.241 174.279 175.510 0.016 0.000 1.112 114 N CA 1.699 54.753 53.050 0.008 0.000 0.750 114 N CB -0.896 37.591 38.487 -0.000 0.000 1.119 114 N HN 0.388 8.773 8.380 0.008 0.000 0.561 115 G N -2.283 106.535 108.800 0.031 0.000 2.976 115 G HA2 0.373 4.347 3.960 0.025 0.000 0.276 115 G HA3 0.373 4.366 3.960 0.056 0.000 0.276 115 G C -2.831 172.086 174.900 0.028 0.000 1.207 115 G CA 0.164 45.286 45.100 0.037 0.000 0.803 115 G HN -0.479 7.769 8.290 0.035 0.063 0.572 116 T N -3.163 111.401 114.554 0.016 0.000 2.906 116 T HA 0.901 5.419 4.350 -0.015 -0.177 0.295 116 T C -1.066 173.583 174.700 -0.085 0.000 1.075 116 T CA -2.012 60.076 62.100 -0.021 0.000 1.005 116 T CB 3.296 72.150 68.868 -0.023 0.000 1.136 116 T HN -0.046 8.209 8.240 0.026 0.000 0.498 117 M N 1.723 121.259 119.600 -0.106 0.000 2.572 117 M HA 0.529 4.986 4.480 -0.240 -0.121 0.299 117 M C -0.464 175.775 176.300 -0.101 0.000 1.205 117 M CA -1.084 54.112 55.300 -0.174 0.000 0.876 117 M CB 5.192 37.672 32.600 -0.199 0.000 1.728 117 M HN 0.214 8.462 8.290 -0.070 0.000 0.458 118 T N -2.105 112.393 114.554 -0.093 0.000 2.849 118 T HA 0.474 5.020 4.350 -0.039 -0.219 0.284 118 T C 1.520 176.195 174.700 -0.041 0.000 1.004 118 T CA -2.005 60.067 62.100 -0.047 0.000 1.021 118 T CB 2.108 70.961 68.868 -0.024 0.000 1.013 118 T HN 0.302 8.796 8.240 -0.116 -0.324 0.527 119 L N 0.730 121.943 121.223 -0.017 0.000 2.131 119 L HA -0.327 3.992 4.340 -0.034 0.000 0.210 119 L C 1.892 178.763 176.870 0.001 0.000 1.092 119 L CA 3.319 58.151 54.840 -0.014 0.000 0.759 119 L CB -0.744 41.316 42.059 0.002 0.000 0.903 119 L HN 0.156 8.381 8.230 -0.009 0.000 0.435 120 A N -0.850 122.006 122.820 0.059 0.000 1.877 120 A HA -0.391 4.078 4.320 0.248 0.000 0.216 120 A C 1.992 179.588 177.584 0.020 0.000 1.186 120 A CA 3.383 55.513 52.037 0.155 0.000 0.620 120 A CB -1.039 18.100 19.000 0.231 0.000 0.822 120 A HN 0.152 8.335 8.150 0.056 0.000 0.443 121 E N -0.972 119.216 120.200 -0.019 0.000 2.110 121 E HA -0.352 3.969 4.350 -0.049 0.000 0.193 121 E C 2.696 179.214 176.600 -0.136 0.000 0.988 121 E CA 2.938 59.292 56.400 -0.077 0.000 0.804 121 E CB -0.159 29.474 29.700 -0.112 0.000 0.745 121 E HN -0.624 7.732 8.360 -0.008 0.000 0.458 122 L N -1.205 119.939 121.223 -0.131 0.000 2.056 122 L HA -0.324 3.944 4.340 -0.119 0.000 0.207 122 L C 2.179 178.924 176.870 -0.208 0.000 1.078 122 L CA 3.521 58.281 54.840 -0.135 0.000 0.749 122 L CB -0.291 41.712 42.059 -0.093 0.000 0.901 122 L HN 0.126 8.293 8.230 -0.105 0.000 0.433 123 S N -0.120 115.393 115.700 -0.311 0.000 2.356 123 S HA -0.362 3.876 4.470 -0.386 0.000 0.223 123 S C 2.067 176.174 174.600 -0.822 0.000 1.032 123 S CA 3.790 61.654 58.200 -0.560 0.000 1.005 123 S CB -0.741 62.010 63.200 -0.749 0.000 0.867 123 S HN -0.142 8.019 8.310 -0.248 0.000 0.449 124 A N 0.354 122.641 122.820 -0.888 0.000 1.902 124 A HA -0.257 3.356 4.320 -1.177 0.000 0.217 124 A C 1.530 178.966 177.584 -0.246 0.000 1.181 124 A CA 2.989 54.580 52.037 -0.742 0.000 0.623 124 A CB -0.781 18.012 19.000 -0.345 0.000 0.818 124 A HN -0.057 7.664 8.150 -0.714 0.000 0.443 125 A N -1.743 120.996 122.820 -0.135 0.000 1.877 125 A HA -0.384 4.044 4.320 0.181 0.000 0.216 125 A C 1.784 179.388 177.584 0.032 0.000 1.186 125 A CA 2.851 54.899 52.037 0.018 0.000 0.620 125 A CB -0.537 18.430 19.000 -0.056 0.000 0.822 125 A HN -0.272 7.765 8.150 -0.189 0.000 0.443 126 A N -0.705 122.074 122.820 -0.069 0.000 1.865 126 A HA -0.268 4.268 4.320 0.014 -0.208 0.217 126 A C 1.943 179.512 177.584 -0.025 0.000 1.191 126 A CA 2.768 54.784 52.037 -0.035 0.000 0.623 126 A CB -0.405 18.553 19.000 -0.069 0.000 0.826 126 A HN -0.240 7.832 8.150 -0.131 0.000 0.444 127 L N -4.383 116.773 121.223 -0.112 0.000 2.044 127 L HA -0.425 3.899 4.340 -0.026 0.000 0.205 127 L C 2.432 179.274 176.870 -0.047 0.000 1.075 127 L CA 2.651 57.447 54.840 -0.073 0.000 0.747 127 L CB 0.113 42.104 42.059 -0.113 0.000 0.903 127 L HN -0.323 7.781 8.230 -0.210 0.000 0.435 128 Q N -5.323 114.432 119.800 -0.076 0.000 2.376 128 Q HA -0.086 4.286 4.340 -0.158 -0.127 0.206 128 Q C 2.003 177.754 176.000 -0.414 0.000 0.921 128 Q CA 1.992 57.677 55.803 -0.198 0.000 0.911 128 Q CB 1.248 29.862 28.738 -0.207 0.000 1.032 128 Q HN -0.116 8.113 8.270 -0.069 0.000 0.510 129 Y N -3.147 117.162 120.300 0.014 0.000 2.471 129 Y HA 0.314 4.912 4.550 0.079 0.000 0.249 129 Y C -0.453 175.526 175.900 0.132 0.000 1.116 129 Y CA -1.135 57.000 58.100 0.059 0.000 1.240 129 Y CB 1.969 40.436 38.460 0.012 0.000 1.251 129 Y HN -0.689 7.676 8.280 0.142 0.000 0.527 130 S N -1.033 114.784 115.700 0.195 0.000 3.698 130 S HA -0.415 4.298 4.470 0.136 -0.162 0.338 130 S C -1.287 173.479 174.600 0.275 0.000 1.089 130 S CA 0.559 58.882 58.200 0.206 0.000 0.991 130 S CB -0.993 62.320 63.200 0.188 0.000 0.909 130 S HN -0.482 7.905 8.310 0.129 0.000 0.485 131 D N -0.410 120.085 120.400 0.159 0.000 2.358 131 D HA -0.054 4.591 4.640 0.008 0.000 0.258 131 D C 0.651 176.992 176.300 0.068 0.000 1.223 131 D CA 0.558 54.591 54.000 0.055 0.000 0.886 131 D CB 0.979 41.764 40.800 -0.025 0.000 1.120 131 D HN -0.863 7.575 8.370 0.141 0.017 0.482 132 N N 7.855 126.612 118.700 0.095 0.000 2.300 132 N HA -0.115 4.679 4.740 0.090 0.000 0.179 132 N C 2.103 177.639 175.510 0.042 0.000 1.016 132 N CA 2.126 55.228 53.050 0.088 0.000 0.876 132 N CB 0.233 38.794 38.487 0.124 0.000 0.979 132 N HN 0.541 8.984 8.380 0.105 0.000 0.432 133 T N 3.692 118.255 114.554 0.014 0.000 2.746 133 T HA -0.368 3.988 4.350 0.010 0.000 0.267 133 T C 1.091 175.788 174.700 -0.004 0.000 1.039 133 T CA 4.784 66.886 62.100 0.002 0.000 1.142 133 T CB -0.049 68.811 68.868 -0.014 0.000 0.866 133 T HN -0.511 7.829 8.240 0.002 -0.098 0.444 134 A N 1.417 124.229 122.820 -0.014 0.000 1.883 134 A HA -0.370 3.930 4.320 -0.034 0.000 0.217 134 A C 1.532 179.105 177.584 -0.018 0.000 1.186 134 A CA 3.271 55.291 52.037 -0.028 0.000 0.624 134 A CB -0.692 18.281 19.000 -0.045 0.000 0.822 134 A HN -0.090 8.389 8.150 -0.017 -0.339 0.444 135 M N -0.695 118.907 119.600 0.003 0.000 2.080 135 M HA -0.427 4.057 4.480 0.006 0.000 0.260 135 M C 1.422 177.734 176.300 0.020 0.000 1.068 135 M CA 2.476 57.786 55.300 0.017 0.000 1.109 135 M CB -0.345 32.281 32.600 0.043 0.000 1.342 135 M HN -0.489 7.809 8.290 0.012 0.000 0.405 136 N N -0.701 118.012 118.700 0.021 0.000 2.166 136 N HA -0.336 4.421 4.740 0.028 0.000 0.186 136 N C 2.451 177.968 175.510 0.011 0.000 1.019 136 N CA 3.070 56.133 53.050 0.021 0.000 0.856 136 N CB -0.679 37.820 38.487 0.021 0.000 0.993 136 N HN -0.340 8.053 8.380 0.022 0.000 0.426 137 K N 0.227 120.627 120.400 0.000 0.000 2.097 137 K HA -0.201 4.118 4.320 -0.002 0.000 0.205 137 K C 2.375 178.970 176.600 -0.008 0.000 1.050 137 K CA 2.100 58.383 56.287 -0.006 0.000 0.938 137 K CB -0.510 31.980 32.500 -0.017 0.000 0.718 137 K HN -0.464 7.778 8.250 -0.002 0.006 0.442 138 L N -0.714 120.502 121.223 -0.012 0.000 2.017 138 L HA -0.374 3.953 4.340 -0.022 0.000 0.208 138 L C 2.248 179.120 176.870 0.003 0.000 1.073 138 L CA 3.168 58.000 54.840 -0.014 0.000 0.745 138 L CB -0.464 41.582 42.059 -0.022 0.000 0.894 138 L HN -0.463 7.684 8.230 -0.014 0.075 0.432 139 I N -1.876 118.705 120.570 0.020 0.000 2.163 139 I HA -0.548 3.648 4.170 0.044 0.000 0.243 139 I C 1.890 178.023 176.117 0.027 0.000 1.085 139 I CA 4.018 65.339 61.300 0.035 0.000 1.347 139 I CB -0.412 37.616 38.000 0.046 0.000 1.044 139 I HN -0.006 8.216 8.210 0.020 0.000 0.408 140 A N -1.583 121.249 122.820 0.019 0.000 1.902 140 A HA -0.340 3.992 4.320 0.020 0.000 0.217 140 A C 2.382 179.973 177.584 0.012 0.000 1.181 140 A CA 3.151 55.198 52.037 0.016 0.000 0.623 140 A CB -1.045 17.962 19.000 0.011 0.000 0.818 140 A HN -0.123 8.036 8.150 0.016 0.000 0.443 141 Q N 0.394 120.197 119.800 0.005 0.000 2.152 141 Q HA -0.252 4.089 4.340 0.002 0.000 0.206 141 Q C 1.686 177.688 176.000 0.004 0.000 0.985 141 Q CA 2.196 58.000 55.803 0.001 0.000 0.863 141 Q CB -0.172 28.561 28.738 -0.008 0.000 0.904 141 Q HN -0.320 7.952 8.270 0.003 0.000 0.422 142 L N -4.578 116.650 121.223 0.009 0.000 2.599 142 L HA 0.108 4.454 4.340 0.011 0.000 0.230 142 L C 0.179 177.068 176.870 0.032 0.000 1.141 142 L CA -0.124 54.727 54.840 0.017 0.000 0.877 142 L CB 0.175 42.246 42.059 0.020 0.000 1.009 142 L HN -0.595 7.523 8.230 0.010 0.118 0.447 143 G N -3.427 105.389 108.800 0.028 0.000 2.141 143 G HA2 -0.340 3.635 3.960 0.025 0.000 0.242 143 G HA3 -0.340 3.639 3.960 0.032 0.000 0.242 143 G C -0.036 174.885 174.900 0.035 0.000 0.982 143 G CA -0.261 44.857 45.100 0.030 0.000 0.662 143 G HN -0.249 7.858 8.290 0.022 0.197 0.527 144 G N -0.419 108.404 108.800 0.039 0.000 2.462 144 G HA2 -0.157 3.827 3.960 0.040 0.000 0.685 144 G HA3 -0.157 3.828 3.960 0.040 0.000 0.685 144 G C -2.304 172.632 174.900 0.061 0.000 1.295 144 G CA -0.491 44.636 45.100 0.044 0.000 0.941 144 G HN -0.500 7.813 8.290 0.038 0.000 0.554 145 P HA -0.175 4.306 4.420 0.101 0.000 0.216 145 P C 1.051 178.417 177.300 0.109 0.000 1.150 145 P CA 2.280 65.432 63.100 0.086 0.000 0.843 145 P CB 0.262 31.999 31.700 0.061 0.000 0.787 146 G N -4.116 104.735 108.800 0.085 0.000 2.470 146 G HA2 -0.269 3.752 3.960 0.103 0.000 0.220 146 G HA3 -0.269 3.734 3.960 0.073 0.000 0.220 146 G C 1.297 176.261 174.900 0.108 0.000 1.121 146 G CA 1.071 46.226 45.100 0.092 0.000 0.766 146 G HN 0.282 8.597 8.290 0.067 0.015 0.553 147 G N 0.050 108.909 108.800 0.099 0.000 2.448 147 G HA2 -0.122 3.897 3.960 0.099 0.000 0.218 147 G HA3 -0.122 4.126 3.960 0.083 -0.239 0.218 147 G C 1.132 176.117 174.900 0.142 0.000 1.135 147 G CA 1.529 46.690 45.100 0.102 0.000 0.784 147 G HN -0.204 8.008 8.290 0.087 0.130 0.543 148 V N 2.822 122.836 119.914 0.167 0.000 2.323 148 V HA -0.359 3.870 4.120 0.182 0.000 0.244 148 V C 1.720 177.979 176.094 0.275 0.000 1.041 148 V CA 3.265 65.697 62.300 0.220 0.000 1.025 148 V CB -0.703 31.281 31.823 0.268 0.000 0.656 148 V HN -0.656 7.532 8.190 0.155 0.095 0.451 149 T N 2.275 117.028 114.554 0.331 0.000 2.720 149 T HA -0.464 4.200 4.350 0.523 0.000 0.268 149 T C 1.604 176.411 174.700 0.179 0.000 1.037 149 T CA 5.225 67.529 62.100 0.340 0.000 1.144 149 T CB -0.406 68.617 68.868 0.258 0.000 0.864 149 T HN -0.566 7.852 8.240 0.295 0.000 0.444 150 A N 1.291 124.200 122.820 0.149 0.000 1.933 150 A HA -0.347 4.020 4.320 0.080 0.000 0.218 150 A C 0.951 178.596 177.584 0.101 0.000 1.175 150 A CA 3.115 55.216 52.037 0.107 0.000 0.628 150 A CB -0.733 18.329 19.000 0.102 0.000 0.814 150 A HN -0.026 8.218 8.150 0.157 0.000 0.444 151 F N -0.199 119.750 119.950 -0.001 0.000 2.134 151 F HA -0.453 4.063 4.527 -0.018 0.000 0.299 151 F C 0.775 176.532 175.800 -0.072 0.000 1.097 151 F CA 2.480 60.459 58.000 -0.034 0.000 1.264 151 F CB 0.120 39.093 39.000 -0.044 0.000 1.001 151 F HN -0.744 7.718 8.300 0.270 0.000 0.479 152 A N -0.616 122.045 122.820 -0.265 0.000 1.892 152 A HA -0.406 3.575 4.320 -0.565 0.000 0.218 152 A C 2.262 179.689 177.584 -0.261 0.000 1.188 152 A CA 2.975 54.781 52.037 -0.385 0.000 0.631 152 A CB -0.630 18.189 19.000 -0.300 0.000 0.822 152 A HN -0.260 7.856 8.150 -0.056 0.000 0.447 153 R N -2.088 118.341 120.500 -0.118 0.000 2.096 153 R HA -0.207 4.232 4.340 -0.061 -0.136 0.235 153 R C 3.005 179.232 176.300 -0.122 0.000 1.127 153 R CA 1.815 57.869 56.100 -0.076 0.000 0.968 153 R CB -0.616 29.676 30.300 -0.013 0.000 0.861 153 R HN -0.143 8.092 8.270 -0.059 0.000 0.440 154 A N -2.679 120.042 122.820 -0.165 0.000 2.067 154 A HA -0.152 4.116 4.320 -0.087 0.000 0.219 154 A C 0.912 178.362 177.584 -0.222 0.000 1.158 154 A CA 1.889 53.834 52.037 -0.153 0.000 0.661 154 A CB -0.141 18.804 19.000 -0.091 0.000 0.801 154 A HN -0.335 7.617 8.150 -0.167 0.098 0.452 155 I N -8.248 112.102 120.570 -0.367 0.000 3.941 155 I HA 0.122 4.160 4.170 -0.219 0.000 0.335 155 I C -0.032 175.970 176.117 -0.193 0.000 1.402 155 I CA -1.381 59.730 61.300 -0.314 0.000 1.112 155 I CB 0.160 37.867 38.000 -0.489 0.000 1.043 155 I HN -0.820 6.973 8.210 -0.454 0.145 0.395 156 G N -0.654 108.057 108.800 -0.147 0.000 2.157 156 G HA2 -0.365 3.555 3.960 -0.066 0.000 0.239 156 G HA3 -0.365 3.552 3.960 -0.072 0.000 0.239 156 G C -1.049 173.811 174.900 -0.066 0.000 0.982 156 G CA -0.109 44.941 45.100 -0.084 0.000 0.650 156 G HN -0.493 7.522 8.290 -0.160 0.179 0.527 157 D N 1.374 121.721 120.400 -0.088 0.000 2.396 157 D HA 0.180 4.811 4.640 -0.015 0.000 0.225 157 D C -0.923 175.381 176.300 0.007 0.000 1.121 157 D CA -1.025 52.954 54.000 -0.034 0.000 0.853 157 D CB 0.046 40.813 40.800 -0.055 0.000 1.043 157 D HN -0.347 7.941 8.370 -0.137 0.000 0.500 158 E N 5.164 125.376 120.200 0.020 0.000 2.479 158 E HA 0.051 4.418 4.350 0.030 0.000 0.193 158 E C 0.181 176.810 176.600 0.050 0.000 1.049 158 E CA 0.513 56.931 56.400 0.030 0.000 0.870 158 E CB 0.361 30.069 29.700 0.013 0.000 0.944 158 E HN 0.544 8.912 8.360 0.014 0.000 0.492 159 T N 0.339 114.938 114.554 0.076 0.000 3.071 159 T HA 0.030 4.404 4.350 0.040 0.000 0.239 159 T C 0.120 174.884 174.700 0.108 0.000 0.997 159 T CA 1.917 64.059 62.100 0.070 0.000 1.134 159 T CB 1.395 70.296 68.868 0.054 0.000 0.928 159 T HN -0.309 8.189 8.240 0.088 -0.206 0.453 160 F N 5.360 125.311 119.950 0.001 0.000 2.629 160 F HA -0.291 4.246 4.527 0.016 0.000 0.369 160 F C -1.814 173.997 175.800 0.018 0.000 1.125 160 F CA 2.123 60.133 58.000 0.016 0.000 1.330 160 F CB 0.981 40.000 39.000 0.031 0.000 1.071 160 F HN -0.287 8.540 8.300 0.287 -0.355 0.595 161 R N 4.337 124.511 120.500 -0.542 0.000 2.548 161 R HA 0.275 4.567 4.340 -0.081 0.000 0.280 161 R C -2.711 173.217 176.300 -0.619 0.000 1.061 161 R CA -1.626 54.265 56.100 -0.348 0.000 0.915 161 R CB 3.107 33.326 30.300 -0.135 0.000 1.210 161 R HN 0.091 7.904 8.270 -0.761 0.000 0.442 162 L N 2.992 124.042 121.223 -0.289 0.000 2.313 162 L HA 0.409 4.730 4.340 -0.222 -0.114 0.283 162 L C -1.853 175.003 176.870 -0.023 0.000 1.013 162 L CA -1.060 53.700 54.840 -0.133 0.000 0.816 162 L CB 3.374 45.487 42.059 0.091 0.000 1.236 162 L HN 0.282 8.484 8.230 -0.046 0.000 0.419 163 D N 6.146 126.524 120.400 -0.036 0.000 2.482 163 D HA 0.202 4.842 4.640 0.000 0.000 0.251 163 D C 0.087 176.390 176.300 0.005 0.000 1.073 163 D CA 1.505 55.497 54.000 -0.012 0.000 0.892 163 D CB 2.883 43.665 40.800 -0.030 0.000 1.202 163 D HN 0.803 9.539 8.370 -0.055 -0.399 0.496 164 R N -1.940 118.564 120.500 0.006 0.000 2.912 164 R HA 0.385 4.736 4.340 0.018 0.000 0.262 164 R C -1.157 175.160 176.300 0.029 0.000 1.057 164 R CA -1.322 54.788 56.100 0.016 0.000 0.981 164 R CB 3.749 34.056 30.300 0.011 0.000 1.201 164 R HN -0.394 8.153 8.270 -0.002 -0.278 0.484 165 T N -0.640 113.933 114.554 0.031 0.000 2.810 165 T HA 0.134 4.510 4.350 0.043 0.000 0.277 165 T C 0.939 175.662 174.700 0.039 0.000 0.973 165 T CA -0.697 61.425 62.100 0.037 0.000 0.949 165 T CB 0.820 69.708 68.868 0.032 0.000 1.075 165 T HN 0.199 8.455 8.240 0.027 0.000 0.537 166 E N 1.855 122.081 120.200 0.044 0.000 2.338 166 E HA 0.144 4.524 4.350 0.050 0.000 0.272 166 E C -0.701 175.925 176.600 0.042 0.000 1.029 166 E CA -1.692 54.737 56.400 0.049 0.000 0.872 166 E CB -0.015 29.720 29.700 0.058 0.000 1.015 166 E HN 0.297 nan 8.360 nan 0.000 0.417 167 P HA 0.228 4.681 4.420 0.055 0.000 0.267 167 P C 0.023 177.348 177.300 0.041 0.000 1.289 167 P CA 0.302 63.430 63.100 0.048 0.000 0.866 167 P CB 1.267 32.995 31.700 0.048 0.000 1.309 168 T N -1.506 113.068 114.554 0.035 0.000 3.072 168 T HA -0.204 4.165 4.350 0.032 0.000 0.266 168 T C 1.654 176.371 174.700 0.030 0.000 1.127 168 T CA 3.023 65.142 62.100 0.031 0.000 1.107 168 T CB -0.452 68.430 68.868 0.024 0.000 0.910 168 T HN -0.093 8.112 8.240 0.033 0.055 0.513 169 L N -2.669 118.573 121.223 0.031 0.000 2.450 169 L HA -0.017 4.480 4.340 0.015 -0.147 0.224 169 L C 0.068 176.959 176.870 0.035 0.000 1.149 169 L CA 1.811 56.667 54.840 0.026 0.000 0.816 169 L CB -0.946 41.130 42.059 0.028 0.000 0.932 169 L HN -0.478 7.733 8.230 0.035 0.040 0.449 170 N N -2.080 116.647 118.700 0.046 0.000 2.270 170 N HA 0.069 4.847 4.740 0.063 0.000 0.198 170 N C 0.521 176.073 175.510 0.071 0.000 1.117 170 N CA 0.890 53.974 53.050 0.058 0.000 0.845 170 N CB 0.513 39.033 38.487 0.055 0.000 0.980 170 N HN -0.580 7.753 8.380 0.044 0.074 0.486 171 T N -2.523 112.070 114.554 0.065 0.000 2.833 171 T HA -0.222 4.348 4.350 0.102 -0.159 0.269 171 T C -0.205 174.585 174.700 0.151 0.000 1.054 171 T CA 2.551 64.708 62.100 0.096 0.000 1.135 171 T CB 0.358 69.269 68.868 0.071 0.000 0.869 171 T HN -0.810 7.395 8.240 0.049 0.064 0.466 172 A N -0.280 122.587 122.820 0.078 0.000 2.869 172 A HA -0.267 4.051 4.320 -0.004 0.000 0.280 172 A C -1.007 176.496 177.584 -0.136 0.000 1.458 172 A CA 0.383 52.445 52.037 0.041 0.000 0.776 172 A CB -1.668 17.414 19.000 0.137 0.000 1.028 172 A HN 0.139 8.318 8.150 0.048 0.000 0.547 173 I N -0.497 119.986 120.570 -0.146 0.000 2.533 173 I HA -0.015 3.807 4.170 -0.580 0.000 0.284 173 I C -1.523 174.363 176.117 -0.385 0.000 1.109 173 I CA -2.099 59.011 61.300 -0.317 0.000 1.412 173 I CB 0.181 38.117 38.000 -0.107 0.000 1.396 173 I HN -0.260 7.899 8.210 -0.062 0.013 0.543 174 P HA -0.069 4.139 4.420 -0.353 0.000 0.264 174 P C 0.398 177.557 177.300 -0.236 0.000 1.193 174 P CA 1.110 63.991 63.100 -0.365 0.000 0.763 174 P CB -0.235 31.250 31.700 -0.359 0.000 0.810 175 G N 4.342 113.019 108.800 -0.206 0.000 2.225 175 G HA2 -0.483 3.382 3.960 -0.158 0.000 0.254 175 G HA3 -0.483 3.394 3.960 -0.138 0.000 0.254 175 G C -0.453 174.367 174.900 -0.132 0.000 0.988 175 G CA 0.153 45.159 45.100 -0.157 0.000 0.625 175 G HN 0.255 8.407 8.290 -0.230 0.000 0.527 176 D N 2.466 122.784 120.400 -0.137 0.000 2.317 176 D HA 0.270 4.857 4.640 -0.089 0.000 0.252 176 D C -0.338 175.900 176.300 -0.105 0.000 1.174 176 D CA -3.092 50.846 54.000 -0.104 0.000 0.866 176 D CB 1.397 42.142 40.800 -0.092 0.000 1.127 176 D HN -0.534 7.660 8.370 -0.161 0.079 0.467 177 P HA -0.009 4.347 4.420 -0.107 0.000 0.236 177 P C -0.619 176.625 177.300 -0.093 0.000 1.177 177 P CA 0.405 63.449 63.100 -0.094 0.000 0.773 177 P CB 0.964 32.617 31.700 -0.078 0.000 0.878 178 R N -0.735 119.718 120.500 -0.079 0.000 2.570 178 R HA -0.372 4.101 4.340 -0.080 -0.182 0.277 178 R C -0.335 175.909 176.300 -0.094 0.000 1.039 178 R CA 1.291 57.345 56.100 -0.077 0.000 1.065 178 R CB -0.100 30.169 30.300 -0.052 0.000 0.964 178 R HN -0.578 7.884 8.270 -0.072 -0.236 0.428 179 D N -2.773 117.549 120.400 -0.131 0.000 2.746 179 D HA -0.371 4.313 4.640 -0.229 -0.182 0.236 179 D C -1.034 175.172 176.300 -0.156 0.000 1.129 179 D CA 1.691 55.598 54.000 -0.155 0.000 0.691 179 D CB -1.756 38.999 40.800 -0.074 0.000 1.077 179 D HN 0.172 8.748 8.370 -0.140 -0.290 0.432 180 T N -7.725 106.712 114.554 -0.195 0.000 2.930 180 T HA 0.879 5.314 4.350 -0.114 -0.153 0.290 180 T C -1.373 173.210 174.700 -0.195 0.000 1.052 180 T CA -2.326 59.681 62.100 -0.155 0.000 1.017 180 T CB 4.325 73.118 68.868 -0.124 0.000 1.137 180 T HN -0.743 7.367 8.240 -0.217 0.000 0.511 181 T N -0.523 113.949 114.554 -0.138 0.000 2.671 181 T HA 0.448 4.760 4.350 -0.063 0.000 0.300 181 T C -2.030 172.610 174.700 -0.100 0.000 1.238 181 T CA -1.909 60.142 62.100 -0.080 0.000 1.020 181 T CB 1.284 70.174 68.868 0.036 0.000 1.503 181 T HN -0.136 8.020 8.240 -0.141 0.000 0.497 182 T N -2.143 112.384 114.554 -0.045 0.000 2.943 182 T HA 0.902 5.438 4.350 0.008 -0.182 0.284 182 T C -0.612 174.057 174.700 -0.052 0.000 1.015 182 T CA -3.687 58.399 62.100 -0.022 0.000 1.042 182 T CB 2.037 70.916 68.868 0.019 0.000 1.055 182 T HN 0.065 8.302 8.240 -0.005 0.000 0.500 183 P HA -0.261 4.227 4.420 0.113 0.000 0.215 183 P C 1.062 178.412 177.300 0.084 0.000 1.153 183 P CA 2.502 65.634 63.100 0.053 0.000 0.853 183 P CB 0.187 31.928 31.700 0.070 0.000 0.788 184 R N -2.253 118.283 120.500 0.060 0.000 2.083 184 R HA -0.482 3.890 4.340 0.052 0.000 0.237 184 R C 1.861 178.192 176.300 0.051 0.000 1.137 184 R CA 3.665 59.795 56.100 0.051 0.000 0.951 184 R CB -0.205 30.117 30.300 0.037 0.000 0.851 184 R HN -0.037 8.266 8.270 0.055 0.000 0.434 185 A N -1.357 121.495 122.820 0.052 0.000 1.902 185 A HA -0.287 4.059 4.320 0.044 0.000 0.217 185 A C 1.860 179.493 177.584 0.081 0.000 1.181 185 A CA 3.033 55.105 52.037 0.059 0.000 0.623 185 A CB -0.528 18.511 19.000 0.066 0.000 0.818 185 A HN -0.442 7.736 8.150 0.047 0.000 0.443 186 M N -0.097 119.573 119.600 0.117 0.000 2.175 186 M HA -0.285 4.289 4.480 0.158 0.000 0.264 186 M C 1.780 178.151 176.300 0.117 0.000 1.063 186 M CA 1.789 57.186 55.300 0.162 0.000 1.119 186 M CB -0.314 32.450 32.600 0.274 0.000 1.377 186 M HN -0.235 8.119 8.290 0.107 0.000 0.415 187 A N -1.317 121.562 122.820 0.098 0.000 1.902 187 A HA -0.379 3.972 4.320 0.052 0.000 0.217 187 A C 1.668 179.268 177.584 0.028 0.000 1.181 187 A CA 3.601 55.671 52.037 0.056 0.000 0.623 187 A CB -0.853 18.175 19.000 0.046 0.000 0.818 187 A HN 0.127 8.341 8.150 0.107 0.000 0.443 188 Q N -1.155 118.661 119.800 0.028 0.000 2.050 188 Q HA -0.294 4.046 4.340 0.001 0.000 0.202 188 Q C 2.422 178.423 176.000 0.002 0.000 0.980 188 Q CA 2.797 58.605 55.803 0.009 0.000 0.840 188 Q CB -0.476 28.268 28.738 0.010 0.000 0.898 188 Q HN -0.259 8.034 8.270 0.038 0.000 0.424 189 T N 3.426 117.986 114.554 0.011 0.000 2.746 189 T HA -0.403 3.929 4.350 -0.029 0.000 0.267 189 T C 1.669 176.373 174.700 0.007 0.000 1.039 189 T CA 5.315 67.411 62.100 -0.006 0.000 1.142 189 T CB -0.035 68.827 68.868 -0.010 0.000 0.866 189 T HN -0.277 7.979 8.240 0.027 0.000 0.444 190 L N 0.970 122.209 121.223 0.026 0.000 2.083 190 L HA -0.299 4.064 4.340 0.038 0.000 0.209 190 L C 1.030 177.898 176.870 -0.003 0.000 1.083 190 L CA 2.957 57.812 54.840 0.025 0.000 0.752 190 L CB -0.512 41.566 42.059 0.031 0.000 0.899 190 L HN 0.073 8.326 8.230 0.038 0.000 0.433 191 R N -0.668 119.820 120.500 -0.020 0.000 2.080 191 R HA -0.417 3.886 4.340 -0.062 0.000 0.236 191 R C 2.267 178.544 176.300 -0.039 0.000 1.137 191 R CA 3.506 59.581 56.100 -0.043 0.000 0.943 191 R CB -0.313 29.961 30.300 -0.043 0.000 0.846 191 R HN -0.135 8.127 8.270 -0.013 0.000 0.431 192 Q N -1.722 118.061 119.800 -0.028 0.000 2.096 192 Q HA -0.284 4.032 4.340 -0.040 0.000 0.204 192 Q C 2.975 178.958 176.000 -0.028 0.000 0.982 192 Q CA 2.946 58.730 55.803 -0.032 0.000 0.850 192 Q CB -0.287 28.432 28.738 -0.031 0.000 0.901 192 Q HN -0.349 7.907 8.270 -0.022 0.000 0.422 193 L N -3.524 117.700 121.223 0.002 0.000 2.109 193 L HA -0.346 4.025 4.340 0.052 0.000 0.207 193 L C 1.514 178.398 176.870 0.022 0.000 1.086 193 L CA 3.010 57.873 54.840 0.038 0.000 0.760 193 L CB -0.038 42.069 42.059 0.079 0.000 0.910 193 L HN 0.060 8.277 8.230 0.003 0.015 0.437 194 T N -5.751 108.810 114.554 0.013 0.000 3.015 194 T HA 0.027 4.409 4.350 0.054 0.000 0.250 194 T C 1.115 175.826 174.700 0.018 0.000 1.057 194 T CA 2.521 64.643 62.100 0.036 0.000 1.066 194 T CB 1.102 70.004 68.868 0.058 0.000 0.959 194 T HN -0.331 7.910 8.240 0.002 0.000 0.488 195 L N -1.215 119.984 121.223 -0.041 0.000 2.902 195 L HA 0.348 4.677 4.340 -0.018 0.000 0.254 195 L C 0.469 177.244 176.870 -0.158 0.000 1.115 195 L CA 0.148 54.951 54.840 -0.061 0.000 0.947 195 L CB 1.871 43.893 42.059 -0.062 0.000 1.369 195 L HN -0.061 8.138 8.230 -0.051 0.000 0.538 196 G N -1.518 107.166 108.800 -0.194 0.000 2.782 196 G HA2 0.041 3.815 3.960 -0.310 0.000 0.201 196 G HA3 0.041 3.917 3.960 -0.139 0.000 0.201 196 G C 0.191 174.742 174.900 -0.582 0.000 1.374 196 G CA -0.052 44.871 45.100 -0.295 0.000 1.039 196 G HN -0.486 7.724 8.290 -0.133 0.000 0.576 197 H N -0.191 118.889 119.070 0.017 0.000 2.575 197 H HA 0.436 5.007 4.556 0.025 0.000 0.256 197 H C -0.071 175.270 175.328 0.022 0.000 1.162 197 H CA -0.774 55.286 56.048 0.019 0.000 0.969 197 H CB 0.112 29.881 29.762 0.012 0.000 1.796 197 H HN 0.231 nan 8.280 nan 0.000 0.607 198 A N 0.258 123.107 122.820 0.048 0.000 1.969 198 A HA -0.094 4.253 4.320 0.045 0.000 0.218 198 A C -0.526 177.125 177.584 0.112 0.000 1.169 198 A CA 1.679 53.749 52.037 0.055 0.000 0.635 198 A CB 0.787 19.796 19.000 0.016 0.000 0.810 198 A HN -0.326 7.824 8.150 0.001 0.000 0.445 199 L N -4.567 116.716 121.223 0.101 0.000 2.322 199 L HA 0.349 4.876 4.340 0.133 -0.108 0.269 199 L C 0.237 177.161 176.870 0.090 0.000 1.012 199 L CA -2.022 52.882 54.840 0.106 0.000 0.815 199 L CB 2.962 45.072 42.059 0.084 0.000 1.295 199 L HN -0.539 7.710 8.230 0.064 0.019 0.438 200 G N -1.529 107.317 108.800 0.076 0.000 2.664 200 G HA2 -0.121 3.894 3.960 0.091 0.000 0.242 200 G HA3 -0.121 3.985 3.960 0.051 -0.115 0.242 200 G C 0.665 175.597 174.900 0.052 0.000 1.225 200 G CA -0.739 44.402 45.100 0.069 0.000 0.849 200 G HN -0.169 8.497 8.290 0.072 -0.333 0.581 201 E N 1.980 122.215 120.200 0.059 0.000 2.048 201 E HA -0.445 3.938 4.350 0.055 0.000 0.202 201 E C 2.345 178.943 176.600 -0.003 0.000 1.021 201 E CA 4.515 60.939 56.400 0.040 0.000 0.825 201 E CB -0.564 29.158 29.700 0.037 0.000 0.756 201 E HN 0.521 8.919 8.360 0.065 0.000 0.454 202 T N 0.344 114.888 114.554 -0.016 0.000 2.788 202 T HA -0.307 4.009 4.350 -0.057 0.000 0.268 202 T C 2.237 176.888 174.700 -0.081 0.000 1.044 202 T CA 4.571 66.641 62.100 -0.050 0.000 1.139 202 T CB -0.283 68.557 68.868 -0.046 0.000 0.867 202 T HN 0.240 8.478 8.240 -0.005 0.000 0.454 203 Q N 0.457 120.223 119.800 -0.056 0.000 2.079 203 Q HA -0.320 3.951 4.340 -0.115 0.000 0.200 203 Q C 2.021 177.981 176.000 -0.068 0.000 0.974 203 Q CA 3.672 59.433 55.803 -0.070 0.000 0.840 203 Q CB -0.798 27.928 28.738 -0.020 0.000 0.898 203 Q HN -0.300 7.936 8.270 -0.030 0.016 0.430 204 R N 1.075 121.557 120.500 -0.030 0.000 2.094 204 R HA -0.404 3.935 4.340 -0.000 0.000 0.239 204 R C 2.018 178.291 176.300 -0.044 0.000 1.137 204 R CA 3.515 59.602 56.100 -0.020 0.000 0.943 204 R CB -0.018 30.269 30.300 -0.022 0.000 0.850 204 R HN 0.195 8.455 8.270 -0.016 0.000 0.433 205 A N -2.499 120.280 122.820 -0.070 0.000 1.933 205 A HA -0.334 3.947 4.320 -0.065 0.000 0.218 205 A C 1.866 179.345 177.584 -0.176 0.000 1.175 205 A CA 3.093 55.074 52.037 -0.095 0.000 0.628 205 A CB -0.778 18.167 19.000 -0.092 0.000 0.814 205 A HN -0.259 7.854 8.150 -0.062 0.000 0.444 206 Q N -0.555 119.084 119.800 -0.268 0.000 2.084 206 Q HA -0.256 3.744 4.340 -0.568 0.000 0.202 206 Q C 2.082 177.738 176.000 -0.575 0.000 0.978 206 Q CA 2.544 58.017 55.803 -0.551 0.000 0.844 206 Q CB -0.291 28.039 28.738 -0.679 0.000 0.898 206 Q HN -0.403 7.733 8.270 -0.222 0.000 0.426 207 L N -0.475 120.606 121.223 -0.236 0.000 2.017 207 L HA -0.277 4.202 4.340 0.231 0.000 0.208 207 L C 1.794 178.721 176.870 0.095 0.000 1.073 207 L CA 3.202 58.073 54.840 0.053 0.000 0.745 207 L CB -0.411 41.714 42.059 0.110 0.000 0.894 207 L HN -0.248 7.868 8.230 -0.191 0.000 0.432 208 V N -1.473 118.466 119.914 0.040 0.000 2.295 208 V HA -0.532 3.687 4.120 0.165 0.000 0.246 208 V C 2.131 178.259 176.094 0.056 0.000 1.049 208 V CA 4.565 66.923 62.300 0.096 0.000 1.024 208 V CB -1.058 30.828 31.823 0.104 0.000 0.648 208 V HN -0.058 8.131 8.190 -0.001 0.000 0.447 209 T N 2.475 116.998 114.554 -0.051 0.000 2.684 209 T HA -0.433 3.892 4.350 -0.042 0.000 0.267 209 T C 2.111 176.860 174.700 0.082 0.000 1.036 209 T CA 4.741 66.806 62.100 -0.058 0.000 1.148 209 T CB -0.186 68.572 68.868 -0.182 0.000 0.863 209 T HN -0.036 8.139 8.240 -0.109 0.000 0.436 210 W N -0.385 120.928 121.300 0.022 0.000 2.355 210 W HA -0.240 4.432 4.660 0.020 0.000 0.309 210 W C 2.608 179.142 176.519 0.025 0.000 1.206 210 W CA 2.404 59.764 57.345 0.024 0.000 1.284 210 W CB -0.634 28.843 29.460 0.028 0.000 1.145 210 W HN -0.213 7.976 8.180 0.016 0.000 0.502 211 L N -2.086 119.304 121.223 0.279 0.000 2.046 211 L HA -0.398 4.036 4.340 0.157 0.000 0.208 211 L C 2.701 179.656 176.870 0.141 0.000 1.077 211 L CA 3.042 57.992 54.840 0.182 0.000 0.747 211 L CB -0.482 41.684 42.059 0.178 0.000 0.896 211 L HN -0.084 8.321 8.230 0.292 0.000 0.432 212 K N -2.062 118.420 120.400 0.137 0.000 2.283 212 K HA -0.216 4.324 4.320 0.117 -0.149 0.202 212 K C 2.016 178.658 176.600 0.070 0.000 1.048 212 K CA 2.583 58.929 56.287 0.098 0.000 0.948 212 K CB -0.024 32.504 32.500 0.046 0.000 0.742 212 K HN -0.120 8.215 8.250 0.143 0.000 0.458 213 G N -3.797 105.053 108.800 0.083 0.000 3.233 213 G HA2 -0.005 3.978 3.960 0.039 0.000 0.227 213 G HA3 -0.005 4.005 3.960 0.084 0.000 0.227 213 G C -0.561 174.340 174.900 0.002 0.000 1.175 213 G CA -0.970 44.164 45.100 0.057 0.000 0.781 213 G HN -0.684 7.544 8.290 0.118 0.132 0.542 214 N N 1.913 120.614 118.700 0.002 0.000 2.353 214 N HA -0.190 4.485 4.740 -0.109 0.000 0.248 214 N C 0.307 175.749 175.510 -0.113 0.000 1.240 214 N CA 1.099 54.110 53.050 -0.065 0.000 0.862 214 N CB 0.733 39.209 38.487 -0.017 0.000 1.086 214 N HN -0.837 7.393 8.380 0.040 0.174 0.453 215 T N -1.110 113.311 114.554 -0.223 0.000 3.044 215 T HA 0.150 4.423 4.350 -0.129 0.000 0.250 215 T C 1.112 175.751 174.700 -0.102 0.000 1.081 215 T CA 1.058 63.042 62.100 -0.193 0.000 1.040 215 T CB 0.714 69.374 68.868 -0.346 0.000 0.962 215 T HN 0.017 8.074 8.240 -0.305 0.000 0.506 216 T N -2.106 112.400 114.554 -0.080 0.000 3.069 216 T HA 0.162 4.498 4.350 -0.024 0.000 0.252 216 T C 0.750 175.435 174.700 -0.025 0.000 1.053 216 T CA 0.631 62.709 62.100 -0.035 0.000 0.964 216 T CB 0.955 69.812 68.868 -0.018 0.000 1.005 216 T HN -0.563 7.888 8.240 -0.093 -0.266 0.532 217 G N -0.892 107.894 108.800 -0.024 0.000 3.126 217 G HA2 0.205 4.152 3.960 -0.020 0.000 0.224 217 G HA3 0.205 4.448 3.960 -0.011 -0.290 0.224 217 G C 0.299 175.190 174.900 -0.015 0.000 1.142 217 G CA -0.786 44.304 45.100 -0.017 0.000 0.759 217 G HN 0.041 8.255 8.290 -0.028 0.059 0.550 218 A N 0.452 123.263 122.820 -0.014 0.000 2.067 218 A HA -0.113 4.202 4.320 -0.010 0.000 0.219 218 A C 0.023 177.594 177.584 -0.022 0.000 1.158 218 A CA 2.381 54.410 52.037 -0.014 0.000 0.661 218 A CB -0.627 18.367 19.000 -0.011 0.000 0.801 218 A HN 0.194 8.335 8.150 -0.015 0.000 0.452 219 A N -6.411 116.394 122.820 -0.025 0.000 2.275 219 A HA 0.094 4.394 4.320 -0.033 0.000 0.212 219 A C -0.074 177.485 177.584 -0.041 0.000 1.201 219 A CA 0.183 52.202 52.037 -0.031 0.000 0.843 219 A CB -0.105 18.879 19.000 -0.027 0.000 0.873 219 A HN 0.185 8.278 8.150 -0.022 0.043 0.492 220 S N -2.047 113.629 115.700 -0.040 0.000 4.213 220 S HA 0.255 4.691 4.470 -0.056 0.000 0.205 220 S C 1.865 176.433 174.600 -0.053 0.000 1.008 220 S CA -0.967 57.203 58.200 -0.049 0.000 1.742 220 S CB 1.347 64.519 63.200 -0.046 0.000 0.754 220 S HN -0.765 7.462 8.310 -0.033 0.064 0.715 221 I N 2.391 122.931 120.570 -0.051 0.000 2.145 221 I HA -0.384 3.752 4.170 -0.055 0.000 0.244 221 I C 2.234 178.331 176.117 -0.034 0.000 1.075 221 I CA 4.347 65.620 61.300 -0.044 0.000 1.332 221 I CB -0.003 37.978 38.000 -0.033 0.000 1.033 221 I HN -0.047 8.406 8.210 -0.053 -0.275 0.410 222 R N -0.536 119.953 120.500 -0.018 0.000 2.117 222 R HA -0.431 3.916 4.340 0.011 0.000 0.243 222 R C 1.768 178.043 176.300 -0.041 0.000 1.143 222 R CA 2.843 58.938 56.100 -0.008 0.000 0.968 222 R CB -0.942 29.362 30.300 0.006 0.000 0.863 222 R HN 0.132 8.375 8.270 -0.017 0.017 0.444 223 A N -3.042 119.748 122.820 -0.049 0.000 2.070 223 A HA -0.112 4.172 4.320 -0.060 0.000 0.220 223 A C 0.985 178.516 177.584 -0.088 0.000 1.159 223 A CA 2.231 54.231 52.037 -0.063 0.000 0.656 223 A CB -0.426 18.540 19.000 -0.056 0.000 0.800 223 A HN -0.443 7.652 8.150 -0.044 0.028 0.453 224 G N -5.246 103.496 108.800 -0.096 0.000 3.042 224 G HA2 0.060 3.948 3.960 -0.120 0.000 0.212 224 G HA3 0.060 4.138 3.960 -0.107 -0.182 0.212 224 G C -1.472 173.318 174.900 -0.183 0.000 1.166 224 G CA -0.472 44.556 45.100 -0.121 0.000 0.767 224 G HN -0.392 7.666 8.290 -0.081 0.183 0.546 225 L N -0.516 120.579 121.223 -0.213 0.000 2.334 225 L HA 0.344 4.359 4.340 -0.542 0.000 0.272 225 L C -2.460 174.116 176.870 -0.489 0.000 1.020 225 L CA -3.044 51.552 54.840 -0.407 0.000 0.812 225 L CB 0.662 42.584 42.059 -0.228 0.000 1.264 225 L HN -0.680 7.288 8.230 -0.158 0.168 0.439 226 P HA -0.022 4.154 4.420 -0.406 0.000 0.266 226 P C 0.648 177.735 177.300 -0.355 0.000 1.193 226 P CA 0.259 62.984 63.100 -0.625 0.000 0.770 226 P CB 0.720 31.863 31.700 -0.927 0.000 0.836 227 T N -0.436 114.023 114.554 -0.160 0.000 2.915 227 T HA -0.363 3.963 4.350 -0.039 0.000 0.269 227 T C 0.865 175.590 174.700 0.042 0.000 1.071 227 T CA 2.448 64.521 62.100 -0.045 0.000 1.132 227 T CB -0.006 68.847 68.868 -0.025 0.000 0.878 227 T HN 0.346 8.493 8.240 -0.156 0.000 0.479 228 S N -0.909 114.838 115.700 0.078 0.000 2.447 228 S HA -0.035 4.516 4.470 0.136 0.000 0.233 228 S C 0.514 175.325 174.600 0.351 0.000 1.006 228 S CA 0.298 58.615 58.200 0.194 0.000 0.957 228 S CB -0.932 62.401 63.200 0.222 0.000 0.773 228 S HN 0.069 8.370 8.310 0.021 0.022 0.507 229 W N 2.076 123.402 121.300 0.044 0.000 2.238 229 W HA 0.116 4.924 4.660 0.087 -0.095 0.321 229 W C 0.130 176.704 176.519 0.091 0.000 1.293 229 W CA -1.895 55.494 57.345 0.073 0.000 1.204 229 W CB -0.179 29.319 29.460 0.063 0.000 1.167 229 W HN -0.810 7.564 8.180 0.393 0.042 0.553 230 T N 2.588 117.342 114.554 0.334 0.000 2.909 230 T HA 0.177 4.649 4.350 0.203 0.000 0.286 230 T C -1.529 173.408 174.700 0.395 0.000 1.002 230 T CA 0.213 62.472 62.100 0.265 0.000 1.074 230 T CB 1.091 70.043 68.868 0.140 0.000 0.984 230 T HN -0.218 8.211 8.240 0.315 0.000 0.495 231 A N 3.731 126.746 122.820 0.325 0.000 2.609 231 A HA 0.833 5.729 4.320 0.514 -0.268 0.291 231 A C -2.548 175.207 177.584 0.284 0.000 1.096 231 A CA -1.110 51.139 52.037 0.354 0.000 0.684 231 A CB 4.086 23.221 19.000 0.224 0.000 1.282 231 A HN 0.133 8.424 8.150 0.235 0.000 0.412 232 G N -2.968 106.007 108.800 0.292 0.000 2.519 232 G HA2 0.475 4.610 3.960 0.154 0.000 0.307 232 G HA3 0.475 4.571 3.960 0.225 0.000 0.307 232 G C -2.634 172.341 174.900 0.124 0.000 1.266 232 G CA -1.280 43.937 45.100 0.195 0.000 0.970 232 G HN 0.154 8.643 8.290 0.331 0.000 0.481 233 D N -0.855 119.596 120.400 0.086 0.000 2.639 233 D HA 0.600 5.416 4.640 0.046 -0.149 0.271 233 D C -2.349 173.974 176.300 0.039 0.000 1.254 233 D CA -0.890 53.139 54.000 0.048 0.000 0.810 233 D CB 4.095 44.909 40.800 0.023 0.000 1.351 233 D HN -0.328 8.094 8.370 0.086 0.000 0.427 234 K N -0.363 120.049 120.400 0.020 0.000 2.507 234 K HA 0.449 4.779 4.320 0.017 0.000 0.252 234 K C -0.668 175.926 176.600 -0.011 0.000 0.943 234 K CA -1.657 54.640 56.287 0.017 0.000 0.808 234 K CB 2.963 35.487 32.500 0.041 0.000 1.142 234 K HN 0.371 8.627 8.250 0.010 0.000 0.426 235 T N 2.901 117.448 114.554 -0.012 0.000 2.816 235 T HA 0.505 4.969 4.350 -0.050 -0.144 0.282 235 T C -0.402 174.294 174.700 -0.008 0.000 0.993 235 T CA -1.653 60.432 62.100 -0.026 0.000 0.994 235 T CB 1.538 70.393 68.868 -0.021 0.000 1.025 235 T HN 0.082 8.319 8.240 -0.004 0.000 0.529 236 G N -1.455 107.338 108.800 -0.013 0.000 2.704 236 G HA2 0.311 4.286 3.960 0.024 0.000 0.293 236 G HA3 0.311 4.294 3.960 0.037 0.000 0.293 236 G C -3.044 171.871 174.900 0.024 0.000 1.421 236 G CA -0.853 44.259 45.100 0.019 0.000 0.870 236 G HN -0.062 8.117 8.290 -0.031 0.092 0.492 237 S N -1.552 114.166 115.700 0.029 0.000 2.570 237 S HA 1.013 5.743 4.470 0.054 -0.227 0.270 237 S C -1.071 173.553 174.600 0.040 0.000 1.149 237 S CA -1.197 57.023 58.200 0.032 0.000 0.837 237 S CB 3.810 67.009 63.200 -0.003 0.000 1.124 237 S HN 0.277 8.605 8.310 0.029 0.000 0.465 241 Y N -3.791 116.502 120.300 -0.013 0.000 3.825 241 Y HA -0.527 4.267 4.550 -0.029 -0.261 0.221 241 Y C 0.366 176.244 175.900 -0.036 0.000 1.195 241 Y CA 0.760 58.842 58.100 -0.030 0.000 1.699 241 Y CB -1.783 36.651 38.460 -0.042 0.000 1.531 241 Y HN 0.555 8.559 8.280 -0.309 0.090 0.640 242 G N -4.348 104.480 108.800 0.046 0.000 2.258 242 G HA2 -0.565 3.512 3.960 0.050 0.000 0.274 242 G HA3 -0.565 3.427 3.960 0.054 0.000 0.274 242 G C -0.138 174.812 174.900 0.083 0.000 1.021 242 G CA 0.273 45.407 45.100 0.056 0.000 0.798 242 G HN 0.313 8.575 8.290 0.006 0.032 0.507 243 T N 3.343 117.954 114.554 0.095 0.000 2.888 243 T HA 0.031 4.646 4.350 0.093 -0.209 0.301 243 T C -0.724 174.057 174.700 0.134 0.000 1.001 243 T CA 2.165 64.334 62.100 0.116 0.000 1.147 243 T CB 0.618 69.567 68.868 0.135 0.000 0.931 243 T HN -0.648 7.625 8.240 0.102 0.028 0.541 244 T N 9.663 124.330 114.554 0.189 0.000 3.031 244 T HA 0.464 5.014 4.350 0.101 -0.140 0.305 244 T C -1.808 172.963 174.700 0.118 0.000 0.985 244 T CA -0.405 61.790 62.100 0.158 0.000 1.008 244 T CB 1.804 70.799 68.868 0.211 0.000 1.005 244 T HN 0.652 9.028 8.240 0.226 0.000 0.444 245 N N 5.073 123.781 118.700 0.013 0.000 2.405 245 N HA 0.800 5.591 4.740 -0.175 -0.156 0.285 245 N C -1.981 173.423 175.510 -0.177 0.000 1.262 245 N CA -1.246 51.720 53.050 -0.140 0.000 0.773 245 N CB 4.358 42.737 38.487 -0.181 0.000 1.490 245 N HN 0.634 9.022 8.380 0.015 0.000 0.486 246 D N -0.645 119.576 120.400 -0.298 0.000 2.769 246 D HA 0.562 5.292 4.640 -0.152 -0.181 0.219 246 D C -2.159 173.992 176.300 -0.249 0.000 1.245 246 D CA -0.155 53.725 54.000 -0.200 0.000 0.801 246 D CB 3.858 44.586 40.800 -0.120 0.000 1.598 246 D HN 0.332 8.436 8.370 -0.443 0.000 0.485 247 I N -2.091 118.391 120.570 -0.147 0.000 2.582 247 I HA 0.969 5.233 4.170 -0.111 -0.160 0.292 247 I C -2.754 173.343 176.117 -0.034 0.000 1.066 247 I CA -2.648 58.597 61.300 -0.093 0.000 1.053 247 I CB 3.865 41.837 38.000 -0.046 0.000 1.241 247 I HN 0.090 8.237 8.210 -0.105 0.000 0.421 248 A N 4.467 127.270 122.820 -0.028 0.000 2.539 248 A HA 0.916 5.393 4.320 0.010 -0.151 0.296 248 A C -2.167 175.388 177.584 -0.049 0.000 1.073 248 A CA -1.807 50.223 52.037 -0.013 0.000 0.700 248 A CB 4.125 23.124 19.000 -0.003 0.000 1.296 248 A HN 0.741 8.870 8.150 -0.036 0.000 0.405 249 V N 0.516 120.394 119.914 -0.060 0.000 2.513 249 V HA 0.814 4.932 4.120 -0.277 -0.163 0.299 249 V C -1.291 174.643 176.094 -0.267 0.000 1.035 249 V CA -1.817 60.334 62.300 -0.247 0.000 0.889 249 V CB 2.271 33.888 31.823 -0.343 0.000 0.988 249 V HN 0.162 8.354 8.190 0.004 0.000 0.440 250 I N 3.004 123.288 120.570 -0.477 0.000 2.569 250 I HA 0.412 4.751 4.170 0.058 -0.135 0.290 250 I C -1.592 174.275 176.117 -0.416 0.000 1.088 250 I CA -0.686 60.497 61.300 -0.195 0.000 1.047 250 I CB 4.274 42.264 38.000 -0.016 0.000 1.237 250 I HN 0.679 8.551 8.210 -0.563 0.000 0.421 251 W N 5.263 126.530 121.300 -0.054 0.000 2.347 251 W HA 0.584 5.141 4.660 -0.171 0.000 0.321 251 W C -2.365 173.964 176.519 -0.316 0.000 0.971 251 W CA -2.178 55.078 57.345 -0.148 0.000 1.508 251 W CB 1.373 30.781 29.460 -0.086 0.000 1.299 251 W HN 0.911 9.368 8.180 0.461 0.000 0.399 255 G N 1.516 110.271 108.800 -0.076 0.000 2.162 255 G HA2 -0.393 3.549 3.960 -0.029 0.000 0.260 255 G HA3 -0.393 3.545 3.960 -0.036 0.000 0.260 255 G C -0.488 174.371 174.900 -0.069 0.000 0.976 255 G CA 0.640 45.710 45.100 -0.050 0.000 0.655 255 G HN 0.227 8.483 8.290 -0.056 0.000 0.533 256 R N -0.392 120.040 120.500 -0.113 0.000 2.867 256 R HA 0.193 4.480 4.340 -0.087 0.000 0.268 256 R C -1.190 175.049 176.300 -0.101 0.000 1.014 256 R CA -1.813 54.213 56.100 -0.124 0.000 0.946 256 R CB 2.851 33.024 30.300 -0.212 0.000 1.208 256 R HN -0.586 7.547 8.270 -0.148 0.048 0.477 257 A N 1.797 124.563 122.820 -0.090 0.000 2.448 257 A HA 0.102 4.401 4.320 -0.034 0.000 0.239 257 A C -1.305 176.172 177.584 -0.178 0.000 1.080 257 A CA -1.029 50.957 52.037 -0.084 0.000 0.779 257 A CB -0.812 18.145 19.000 -0.071 0.000 1.026 257 A HN 0.272 8.372 8.150 -0.084 0.000 0.499 258 P HA 0.089 4.324 4.420 -0.540 -0.139 0.272 258 P C -1.473 175.613 177.300 -0.357 0.000 1.230 258 P CA -0.327 62.474 63.100 -0.497 0.000 0.788 258 P CB 0.903 32.062 31.700 -0.902 0.000 0.949 259 L N -2.166 118.833 121.223 -0.373 0.000 2.330 259 L HA 0.793 5.184 4.340 -0.185 -0.162 0.271 259 L C -0.440 176.283 176.870 -0.245 0.000 1.013 259 L CA -1.516 53.184 54.840 -0.232 0.000 0.816 259 L CB 3.452 45.426 42.059 -0.143 0.000 1.287 259 L HN 0.430 8.386 8.230 -0.458 0.000 0.435 260 V N 0.070 119.892 119.914 -0.153 0.000 2.495 260 V HA 0.646 4.846 4.120 -0.142 -0.165 0.298 260 V C -2.017 174.042 176.094 -0.058 0.000 1.031 260 V CA -1.284 60.947 62.300 -0.116 0.000 0.871 260 V CB 3.012 34.783 31.823 -0.087 0.000 0.988 260 V HN 0.437 8.553 8.190 -0.124 0.000 0.432 261 L N 8.720 129.917 121.223 -0.043 0.000 2.438 261 L HA 0.837 5.354 4.340 -0.007 -0.182 0.270 261 L C -2.692 174.165 176.870 -0.022 0.000 0.972 261 L CA -1.230 53.598 54.840 -0.019 0.000 0.831 261 L CB 4.453 46.505 42.059 -0.013 0.000 1.273 261 L HN 0.655 8.853 8.230 -0.053 0.000 0.405 262 V N 1.980 121.894 119.914 -0.001 0.000 2.604 262 V HA 0.883 5.083 4.120 -0.104 -0.143 0.305 262 V C -1.501 174.567 176.094 -0.045 0.000 1.043 262 V CA -2.677 59.602 62.300 -0.035 0.000 0.888 262 V CB 3.012 34.892 31.823 0.094 0.000 0.995 262 V HN 0.850 9.052 8.190 0.019 0.000 0.429 263 T N 2.714 117.154 114.554 -0.189 0.000 2.906 263 T HA 0.719 5.219 4.350 -0.062 -0.187 0.302 263 T C -0.963 173.557 174.700 -0.300 0.000 1.002 263 T CA -2.005 60.005 62.100 -0.150 0.000 0.988 263 T CB 2.027 70.829 68.868 -0.111 0.000 0.972 263 T HN 0.478 8.544 8.240 -0.290 0.000 0.447 264 Y N 5.508 125.671 120.300 -0.229 0.000 2.409 264 Y HA 0.546 5.187 4.550 -0.112 -0.158 0.339 264 Y C -1.986 173.837 175.900 -0.128 0.000 1.033 264 Y CA -1.495 56.431 58.100 -0.290 0.000 1.094 264 Y CB 3.787 41.817 38.460 -0.718 0.000 1.210 264 Y HN 0.800 9.049 8.280 -0.052 0.000 0.456 265 F N 3.062 123.057 119.950 0.075 0.000 2.596 265 F HA 0.944 5.806 4.527 0.212 -0.208 0.311 265 F C -2.336 173.606 175.800 0.237 0.000 1.116 265 F CA -0.956 57.139 58.000 0.158 0.000 0.957 265 F CB 4.299 43.344 39.000 0.075 0.000 1.250 265 F HN 0.185 8.897 8.300 0.298 -0.233 0.444 266 T N 6.509 120.805 114.554 -0.430 0.000 2.843 266 T HA 0.389 4.577 4.350 -0.271 0.000 0.302 266 T C -2.396 171.993 174.700 -0.518 0.000 1.232 266 T CA -1.672 60.232 62.100 -0.327 0.000 1.009 266 T CB 2.038 70.904 68.868 -0.002 0.000 1.254 266 T HN 0.630 8.589 8.240 -0.469 0.000 0.504 267 Q N 3.115 122.772 119.800 -0.239 0.000 2.496 267 Q HA 0.489 4.692 4.340 -0.228 0.000 0.286 267 Q C -2.202 173.825 176.000 0.045 0.000 1.103 267 Q CA -3.071 52.642 55.803 -0.150 0.000 0.813 267 Q CB 1.909 30.591 28.738 -0.093 0.000 1.444 267 Q HN -0.169 8.051 8.270 -0.084 0.000 0.443 268 P HA -0.044 4.434 4.420 0.098 0.000 0.222 268 P C -0.953 176.474 177.300 0.210 0.000 1.153 268 P CA 0.939 64.107 63.100 0.113 0.000 0.798 268 P CB 0.410 32.145 31.700 0.057 0.000 0.796 269 Q N -2.822 117.043 119.800 0.110 0.000 2.278 269 Q HA 0.126 4.465 4.340 -0.000 0.000 0.257 269 Q C 0.966 176.802 176.000 -0.273 0.000 0.928 269 Q CA -0.917 54.874 55.803 -0.019 0.000 0.932 269 Q CB -0.018 28.702 28.738 -0.031 0.000 1.221 269 Q HN -0.302 8.015 8.270 0.079 0.000 0.434 270 Q N 5.811 125.232 119.800 -0.632 0.000 2.152 270 Q HA -0.391 2.542 4.340 -2.345 0.000 0.206 270 Q C -0.376 175.303 176.000 -0.536 0.000 0.985 270 Q CA 3.720 58.822 55.803 -1.168 0.000 0.863 270 Q CB 0.163 28.396 28.738 -0.842 0.000 0.904 270 Q HN 0.603 8.623 8.270 -0.416 0.000 0.422 271 N N -1.859 116.673 118.700 -0.281 0.000 2.380 271 N HA 0.045 4.687 4.740 -0.163 0.000 0.255 271 N C -1.149 174.305 175.510 -0.093 0.000 1.158 271 N CA -0.571 52.384 53.050 -0.158 0.000 0.878 271 N CB -0.358 38.059 38.487 -0.117 0.000 1.138 271 N HN 0.095 8.292 8.380 -0.256 0.029 0.509 272 A N 1.396 124.164 122.820 -0.087 0.000 2.520 272 A HA -0.053 4.259 4.320 -0.014 0.000 0.235 272 A C -0.395 177.189 177.584 -0.000 0.000 1.065 272 A CA 0.495 52.519 52.037 -0.022 0.000 0.764 272 A CB 0.765 19.769 19.000 0.006 0.000 1.002 272 A HN -0.620 7.375 8.150 -0.133 0.075 0.502 273 E N 1.313 121.526 120.200 0.022 0.000 2.351 273 E HA 0.047 4.405 4.350 0.013 0.000 0.255 273 E C -0.058 176.579 176.600 0.061 0.000 1.188 273 E CA -0.397 56.020 56.400 0.028 0.000 0.940 273 E CB 1.607 31.320 29.700 0.023 0.000 1.094 273 E HN 0.129 8.504 8.360 0.026 0.000 0.474 274 S N -1.040 114.691 115.700 0.051 0.000 2.572 274 S HA -0.132 4.398 4.470 0.100 0.000 0.279 274 S C 0.633 175.285 174.600 0.086 0.000 1.341 274 S CA 0.450 58.694 58.200 0.073 0.000 1.043 274 S CB 0.598 63.819 63.200 0.033 0.000 0.887 274 S HN 0.216 8.544 8.310 0.030 0.000 0.516 275 R N 2.613 123.186 120.500 0.121 0.000 2.738 275 R HA 0.438 4.869 4.340 0.025 -0.076 0.280 275 R C 0.505 176.792 176.300 -0.022 0.000 1.456 275 R CA -1.631 54.502 56.100 0.056 0.000 1.612 275 R CB -0.532 29.826 30.300 0.097 0.000 1.286 275 R HN -0.070 8.295 8.270 0.159 0.000 0.660 276 R N -0.207 120.283 120.500 -0.017 0.000 2.120 276 R HA -0.510 3.807 4.340 -0.038 0.000 0.234 276 R C 0.721 176.972 176.300 -0.081 0.000 1.123 276 R CA 4.334 60.409 56.100 -0.043 0.000 0.975 276 R CB -0.096 30.186 30.300 -0.031 0.000 0.866 276 R HN 0.335 8.604 8.270 -0.003 0.000 0.446 277 D N -1.773 118.576 120.400 -0.085 0.000 2.182 277 D HA -0.261 4.327 4.640 -0.087 0.000 0.201 277 D C 1.355 177.565 176.300 -0.151 0.000 0.986 277 D CA 2.417 56.357 54.000 -0.100 0.000 0.847 277 D CB -1.218 39.532 40.800 -0.083 0.000 0.942 277 D HN 0.165 8.471 8.370 -0.067 0.023 0.467 278 V N 0.370 120.145 119.914 -0.233 0.000 2.343 278 V HA -0.480 3.462 4.120 -0.296 0.000 0.247 278 V C 1.697 177.631 176.094 -0.267 0.000 1.051 278 V CA 3.606 65.694 62.300 -0.353 0.000 1.036 278 V CB -0.067 31.300 31.823 -0.759 0.000 0.654 278 V HN -0.792 7.138 8.190 -0.230 0.122 0.451 279 L N -1.636 119.462 121.223 -0.207 0.000 2.046 279 L HA -0.380 3.876 4.340 -0.141 0.000 0.208 279 L C 1.855 178.656 176.870 -0.115 0.000 1.077 279 L CA 2.934 57.690 54.840 -0.140 0.000 0.747 279 L CB -0.977 41.020 42.059 -0.104 0.000 0.896 279 L HN -0.911 7.198 8.230 -0.203 0.000 0.432 280 A N -0.782 121.973 122.820 -0.107 0.000 1.908 280 A HA -0.313 4.056 4.320 -0.084 -0.099 0.218 280 A C 2.353 179.877 177.584 -0.101 0.000 1.181 280 A CA 3.078 55.059 52.037 -0.094 0.000 0.627 280 A CB -0.910 18.039 19.000 -0.085 0.000 0.818 280 A HN -0.160 7.924 8.150 -0.110 0.000 0.445 281 S N -0.883 114.747 115.700 -0.116 0.000 2.382 281 S HA -0.384 4.025 4.470 -0.101 0.000 0.228 281 S C 1.884 176.419 174.600 -0.109 0.000 1.027 281 S CA 3.562 61.695 58.200 -0.113 0.000 0.991 281 S CB -0.467 62.657 63.200 -0.125 0.000 0.823 281 S HN -0.239 7.994 8.310 -0.128 0.000 0.469 282 A N 0.556 123.305 122.820 -0.119 0.000 1.902 282 A HA -0.238 4.017 4.320 -0.109 0.000 0.217 282 A C 1.496 179.036 177.584 -0.073 0.000 1.181 282 A CA 2.948 54.924 52.037 -0.102 0.000 0.623 282 A CB -0.779 18.159 19.000 -0.103 0.000 0.818 282 A HN -0.175 7.894 8.150 -0.134 0.000 0.443 283 A N -1.627 121.151 122.820 -0.070 0.000 1.902 283 A HA -0.336 3.967 4.320 -0.029 0.000 0.217 283 A C 1.807 179.356 177.584 -0.059 0.000 1.181 283 A CA 3.034 55.041 52.037 -0.050 0.000 0.623 283 A CB -0.856 18.114 19.000 -0.050 0.000 0.818 283 A HN -0.104 7.997 8.150 -0.080 0.000 0.443 284 R N -0.772 119.679 120.500 -0.082 0.000 2.092 284 R HA -0.229 4.211 4.340 -0.118 -0.171 0.231 284 R C 2.504 178.762 176.300 -0.070 0.000 1.119 284 R CA 3.035 59.078 56.100 -0.094 0.000 0.970 284 R CB -0.058 30.183 30.300 -0.098 0.000 0.864 284 R HN -0.359 7.860 8.270 -0.086 0.000 0.440 285 I N 0.030 120.563 120.570 -0.062 0.000 2.179 285 I HA -0.440 3.872 4.170 -0.046 -0.170 0.242 285 I C 2.120 178.223 176.117 -0.023 0.000 1.088 285 I CA 3.963 65.234 61.300 -0.048 0.000 1.357 285 I CB 0.088 38.050 38.000 -0.063 0.000 1.051 285 I HN -0.381 7.787 8.210 -0.070 0.000 0.409 286 I N -1.212 119.350 120.570 -0.014 0.000 2.226 286 I HA -0.496 3.685 4.170 0.018 0.000 0.245 286 I C 1.965 178.113 176.117 0.052 0.000 1.100 286 I CA 2.335 63.646 61.300 0.019 0.000 1.374 286 I CB -1.293 36.721 38.000 0.023 0.000 1.057 286 I HN -0.404 7.790 8.210 -0.026 0.000 0.413 287 A N -2.494 120.352 122.820 0.045 0.000 1.968 287 A HA -0.207 4.258 4.320 0.241 0.000 0.217 287 A C 2.192 179.822 177.584 0.077 0.000 1.169 287 A CA 2.687 54.783 52.037 0.098 0.000 0.638 287 A CB -0.658 18.285 19.000 -0.094 0.000 0.812 287 A HN -0.110 8.043 8.150 0.005 0.000 0.446 288 E N -0.406 119.800 120.200 0.011 0.000 2.153 288 E HA -0.218 4.136 4.350 0.006 0.000 0.194 288 E C 1.814 178.432 176.600 0.029 0.000 0.988 288 E CA 1.985 58.389 56.400 0.007 0.000 0.811 288 E CB -0.126 29.564 29.700 -0.017 0.000 0.746 288 E HN -0.191 8.162 8.360 -0.011 0.000 0.466 289 G N -1.330 107.490 108.800 0.033 0.000 3.042 289 G HA2 -0.046 3.928 3.960 0.024 0.000 0.212 289 G HA3 -0.046 3.928 3.960 0.024 0.000 0.212 289 G C -0.416 174.510 174.900 0.043 0.000 1.166 289 G CA -0.474 44.644 45.100 0.031 0.000 0.767 289 G HN -0.494 7.667 8.290 0.033 0.149 0.546 290 L N 0.000 121.264 121.223 0.069 0.000 2.949 290 L HA 0.000 4.371 4.340 0.052 0.000 0.249 290 L CA 0.000 54.885 54.840 0.075 0.000 0.813 290 L CB 0.000 42.137 42.059 0.129 0.000 0.961 290 L HN 0.000 8.209 8.230 0.084 0.071 0.502