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 2xhn_1_A DATA FIRST_RESID 1 DATA SEQUENCE AFGITTSSSA YVIDTNAPNQ LKFTVSRSSc DITSIIHYGT ELQYSSQGSH DATA SEQUENCE IGSGLGSATV TATQSGDYIK VTcVTDTLTQ YMVVHNGDPI IHMATYITAE DATA SEQUENCE PSIGELRFIA RLNSDLLPNE EPFGDVSTTA DGTAIEGSDV FLVGSETRSA DATA SEQUENCE FYSSERFIDD QRHcIAGDAH RVcMILNQYE SSSGGPFHRD INSNNGGSYN DATA SEQUENCE ALYWYMNSGH VQTESYRMGL HGPYSMYFSR SGTPSTSIDT SFFADLDIKG DATA SEQUENCE YVAASGRGKV AGTASGADSS MDWVVHWYND AAQYWTYTSS SGSFTSPAMK DATA SEQUENCE PGTYTMVYYQ GEYAVATSSV TVSAGSTTTK NISGSVKTGT TIFKIGEWDG DATA SEQUENCE QPTGFRNAAN QLRMHPSDSR MSSWGPLTYT VGSSALTDFP MAVFKSVNNP DATA SEQUENCE VTIKFTATSA QTGAATLRIG TTLSFAGGRP QATINSYTGS APAAPTNLDS DATA SEQUENCE RGVTRGAYRG LGEVYDVSIP SGTIVAGTNT ITINVISGSS GDTYLSPNFI DATA SEQUENCE FDCVELFQ 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 1 A HA 0.000 4.338 4.320 0.030 0.000 0.244 1 A C 0.000 177.609 177.584 0.042 0.000 1.274 1 A CA 0.000 52.047 52.037 0.017 0.000 0.836 1 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 2 F N 2.511 122.409 119.950 -0.087 0.000 2.602 2 F HA -0.032 4.634 4.527 -0.105 -0.202 0.385 2 F C 0.061 175.804 175.800 -0.095 0.000 1.063 2 F CA 0.244 58.182 58.000 -0.103 0.000 1.233 2 F CB 0.558 39.482 39.000 -0.128 0.000 1.067 2 F HN -0.124 8.302 8.300 0.209 0.000 0.564 3 G N 6.674 115.094 108.800 -0.634 0.000 2.327 3 G HA2 0.026 3.794 3.960 -0.321 0.000 0.291 3 G HA3 0.026 3.595 3.960 -0.651 0.000 0.291 3 G C -3.185 171.466 174.900 -0.416 0.000 1.290 3 G CA 0.087 44.875 45.100 -0.520 0.000 0.857 3 G HN -0.276 7.599 8.290 -0.691 0.000 0.520 4 I N -0.110 120.283 120.570 -0.295 0.000 2.406 4 I HA 0.591 4.774 4.170 -0.244 -0.160 0.290 4 I C -0.573 175.472 176.117 -0.120 0.000 0.999 4 I CA -0.916 60.250 61.300 -0.223 0.000 1.124 4 I CB 3.009 40.870 38.000 -0.233 0.000 1.289 4 I HN 0.329 8.385 8.210 -0.257 0.000 0.441 5 T N 11.067 125.574 114.554 -0.079 0.000 2.758 5 T HA 0.350 4.678 4.350 -0.036 0.000 0.285 5 T C -1.454 173.268 174.700 0.035 0.000 0.981 5 T CA -0.413 61.666 62.100 -0.036 0.000 0.965 5 T CB 1.638 70.470 68.868 -0.061 0.000 0.927 5 T HN 0.699 8.881 8.240 -0.096 0.000 0.448 6 T N 9.890 124.473 114.554 0.049 0.000 2.771 6 T HA 0.489 4.901 4.350 0.102 0.000 0.281 6 T C -0.907 173.772 174.700 -0.035 0.000 0.982 6 T CA -0.225 61.915 62.100 0.068 0.000 0.978 6 T CB 1.376 70.324 68.868 0.133 0.000 0.930 6 T HN 0.317 8.572 8.240 0.024 0.000 0.447 7 S N 7.691 123.325 115.700 -0.110 0.000 2.709 7 S HA 0.508 4.932 4.470 -0.077 0.000 0.302 7 S C 0.800 175.309 174.600 -0.152 0.000 1.127 7 S CA -2.058 56.078 58.200 -0.107 0.000 0.905 7 S CB 2.221 65.366 63.200 -0.092 0.000 1.151 7 S HN 0.409 8.618 8.310 -0.169 0.000 0.510 8 S N 0.889 116.523 115.700 -0.110 0.000 2.383 8 S HA -0.120 4.285 4.470 -0.109 0.000 0.229 8 S C 0.529 175.045 174.600 -0.140 0.000 1.030 8 S CA 2.738 60.873 58.200 -0.109 0.000 1.002 8 S CB -0.278 62.879 63.200 -0.071 0.000 0.829 8 S HN 0.424 8.682 8.310 -0.086 0.000 0.467 9 S N -2.770 112.849 115.700 -0.135 0.000 2.503 9 S HA 0.027 4.428 4.470 -0.115 0.000 0.215 9 S C -1.037 173.463 174.600 -0.167 0.000 1.003 9 S CA 0.407 58.531 58.200 -0.126 0.000 0.910 9 S CB 1.051 64.202 63.200 -0.082 0.000 0.790 9 S HN -0.656 7.562 8.310 -0.122 0.019 0.514 10 A N -0.511 122.168 122.820 -0.235 0.000 2.612 10 A HA 0.516 4.839 4.320 -0.232 -0.142 0.293 10 A C -2.838 174.530 177.584 -0.360 0.000 1.075 10 A CA 0.121 52.014 52.037 -0.239 0.000 0.680 10 A CB 2.472 21.405 19.000 -0.111 0.000 1.279 10 A HN -0.784 7.217 8.150 -0.249 0.000 0.411 11 Y N -1.556 118.707 120.300 -0.061 0.000 2.341 11 Y HA 0.659 5.332 4.550 -0.102 -0.183 0.337 11 Y C -0.581 175.225 175.900 -0.157 0.000 1.014 11 Y CA -1.924 56.114 58.100 -0.103 0.000 1.111 11 Y CB 1.912 40.311 38.460 -0.102 0.000 1.194 11 Y HN -0.091 8.130 8.280 -0.099 0.000 0.462 12 V N 3.723 123.620 119.914 -0.030 0.000 2.370 12 V HA 0.433 4.598 4.120 -0.204 -0.167 0.283 12 V C -1.072 174.860 176.094 -0.271 0.000 1.023 12 V CA -0.892 61.311 62.300 -0.162 0.000 0.857 12 V CB 1.007 32.758 31.823 -0.121 0.000 0.985 12 V HN 0.520 8.709 8.190 -0.002 0.000 0.443 13 I N 7.925 128.182 120.570 -0.522 0.000 2.339 13 I HA 0.440 4.486 4.170 -0.449 -0.145 0.290 13 I C -1.722 174.117 176.117 -0.464 0.000 0.994 13 I CA -2.739 58.200 61.300 -0.602 0.000 1.191 13 I CB 0.430 37.819 38.000 -1.018 0.000 1.343 13 I HN 0.886 8.685 8.210 -0.684 0.000 0.458 14 D N 7.185 127.404 120.400 -0.301 0.000 2.381 14 D HA 0.474 5.046 4.640 -0.114 0.000 0.235 14 D C 1.117 177.390 176.300 -0.045 0.000 1.068 14 D CA -1.513 52.397 54.000 -0.149 0.000 0.832 14 D CB 3.053 43.783 40.800 -0.117 0.000 1.101 14 D HN 0.103 8.273 8.370 -0.334 0.000 0.515 15 T N 4.731 119.331 114.554 0.076 0.000 3.085 15 T HA -0.215 4.352 4.350 0.360 0.000 0.263 15 T C 0.926 175.762 174.700 0.226 0.000 1.127 15 T CA 1.691 63.926 62.100 0.225 0.000 1.103 15 T CB 0.332 69.290 68.868 0.151 0.000 0.921 15 T HN 0.351 8.626 8.240 0.058 0.000 0.510 16 N N 1.717 120.499 118.700 0.137 0.000 2.747 16 N HA -0.484 4.286 4.740 0.050 0.000 0.249 16 N C -1.671 173.844 175.510 0.007 0.000 1.107 16 N CA 1.088 54.179 53.050 0.068 0.000 0.707 16 N CB -0.971 37.567 38.487 0.085 0.000 1.054 16 N HN -0.003 8.702 8.380 0.100 -0.265 0.555 17 A N -0.909 121.927 122.820 0.025 0.000 2.407 17 A HA 0.216 4.608 4.320 -0.007 -0.076 0.248 17 A C -0.862 176.746 177.584 0.040 0.000 1.082 17 A CA -1.944 50.106 52.037 0.022 0.000 0.785 17 A CB -0.136 18.893 19.000 0.049 0.000 1.020 17 A HN -0.673 7.477 8.150 0.046 0.028 0.489 18 P HA -0.166 4.276 4.420 0.036 0.000 0.215 18 P C -0.159 177.195 177.300 0.090 0.000 1.157 18 P CA 2.174 65.306 63.100 0.054 0.000 0.874 18 P CB 0.100 31.834 31.700 0.055 0.000 0.790 19 N N -3.561 115.213 118.700 0.124 0.000 2.314 19 N HA 0.090 4.978 4.740 0.246 0.000 0.200 19 N C -1.380 174.207 175.510 0.129 0.000 1.135 19 N CA -0.720 52.437 53.050 0.179 0.000 0.835 19 N CB -0.178 38.388 38.487 0.131 0.000 0.989 19 N HN -0.013 8.444 8.380 0.128 0.000 0.478 20 Q N -2.710 117.145 119.800 0.091 0.000 3.097 20 Q HA -0.501 3.936 4.340 0.047 -0.069 0.068 20 Q C -2.877 173.187 176.000 0.106 0.000 1.636 20 Q CA 0.791 56.627 55.803 0.056 0.000 0.314 20 Q CB -0.379 28.358 28.738 -0.001 0.000 0.590 20 Q HN -0.337 7.793 8.270 0.089 0.193 0.321 21 L N 6.406 127.679 121.223 0.084 0.000 2.491 21 L HA 0.797 5.387 4.340 0.057 -0.216 0.267 21 L C -2.338 174.558 176.870 0.043 0.000 0.971 21 L CA -0.378 54.496 54.840 0.057 0.000 0.857 21 L CB 3.566 45.634 42.059 0.016 0.000 1.226 21 L HN 0.376 8.645 8.230 0.065 0.000 0.408 22 K N 5.740 126.156 120.400 0.027 0.000 2.375 22 K HA 1.043 5.543 4.320 -0.031 -0.198 0.249 22 K C -1.351 175.301 176.600 0.087 0.000 0.942 22 K CA -1.938 54.349 56.287 0.001 0.000 0.806 22 K CB 3.671 36.141 32.500 -0.050 0.000 1.227 22 K HN 0.240 8.499 8.250 0.015 0.000 0.430 23 F N -1.780 118.118 119.950 -0.088 0.000 2.645 23 F HA 0.740 5.348 4.527 -0.074 -0.126 0.310 23 F C -2.331 173.452 175.800 -0.028 0.000 1.102 23 F CA -1.998 55.960 58.000 -0.071 0.000 0.952 23 F CB 3.306 42.254 39.000 -0.087 0.000 1.326 23 F HN 0.576 8.635 8.300 -0.402 0.000 0.456 24 T N 2.659 117.280 114.554 0.111 0.000 2.779 24 T HA 0.486 4.959 4.350 -0.058 -0.157 0.280 24 T C -1.151 173.632 174.700 0.139 0.000 0.987 24 T CA -0.234 61.885 62.100 0.033 0.000 0.966 24 T CB 1.554 70.431 68.868 0.017 0.000 0.933 24 T HN 0.458 8.819 8.240 0.202 0.000 0.442 25 V N 7.925 127.905 119.914 0.111 0.000 2.384 25 V HA 0.395 4.812 4.120 0.192 -0.182 0.287 25 V C -1.257 174.886 176.094 0.082 0.000 1.020 25 V CA -1.565 60.833 62.300 0.163 0.000 0.850 25 V CB 1.207 33.167 31.823 0.229 0.000 0.987 25 V HN 0.684 8.907 8.190 0.054 0.000 0.436 26 S N 6.432 122.173 115.700 0.067 0.000 2.537 26 S HA 0.032 4.623 4.470 -0.022 -0.133 0.286 26 S C 1.040 175.640 174.600 0.001 0.000 1.299 26 S CA 0.093 58.302 58.200 0.014 0.000 1.067 26 S CB 0.594 63.811 63.200 0.028 0.000 0.864 26 S HN 0.190 8.553 8.310 0.089 0.000 0.494 27 R N 7.176 127.627 120.500 -0.082 0.000 2.299 27 R HA -0.119 4.196 4.340 -0.042 0.000 0.197 27 R C 0.812 177.090 176.300 -0.037 0.000 0.971 27 R CA 2.136 58.177 56.100 -0.098 0.000 1.030 27 R CB 0.015 30.156 30.300 -0.265 0.000 0.932 27 R HN 0.337 8.429 8.270 -0.120 0.105 0.477 28 S N -1.985 113.700 115.700 -0.025 0.000 2.387 28 S HA 0.021 4.485 4.470 -0.011 0.000 0.221 28 S C 0.609 175.216 174.600 0.012 0.000 1.041 28 S CA 2.892 61.087 58.200 -0.008 0.000 0.959 28 S CB 1.161 64.353 63.200 -0.013 0.000 0.843 28 S HN -0.509 7.739 8.310 -0.029 0.045 0.488 29 S N -1.715 114.001 115.700 0.026 0.000 2.520 29 S HA 0.302 4.896 4.470 0.028 -0.108 0.219 29 S C 0.241 174.880 174.600 0.065 0.000 1.028 29 S CA 0.005 58.228 58.200 0.039 0.000 0.921 29 S CB 1.515 64.741 63.200 0.044 0.000 0.844 29 S HN -0.620 7.706 8.310 0.026 0.000 0.495 30 c N 1.022 119.670 118.600 0.081 0.000 4.400 30 c HA -0.351 4.400 4.570 0.129 -0.104 0.275 30 c C -1.083 173.101 174.090 0.157 0.000 1.391 30 c CA 0.675 57.076 56.329 0.120 0.000 1.816 30 c CB -2.195 40.384 42.510 0.114 0.000 1.404 30 c HN -0.354 7.918 8.230 0.070 0.000 0.754 31 D N -0.257 120.230 120.400 0.144 0.000 2.443 31 D HA -0.043 4.721 4.640 0.207 0.000 0.239 31 D C 0.181 176.567 176.300 0.144 0.000 1.136 31 D CA 1.475 55.574 54.000 0.164 0.000 0.879 31 D CB 0.774 41.660 40.800 0.144 0.000 1.195 31 D HN -0.598 7.783 8.370 0.119 0.061 0.443 32 I N 2.899 123.553 120.570 0.141 0.000 2.379 32 I HA 0.117 4.616 4.170 0.201 -0.208 0.290 32 I C 0.891 177.052 176.117 0.072 0.000 1.063 32 I CA 0.576 61.968 61.300 0.152 0.000 1.351 32 I CB -0.404 37.697 38.000 0.169 0.000 1.410 32 I HN 0.173 8.462 8.210 0.132 0.000 0.505 33 T N 4.505 119.103 114.554 0.074 0.000 3.001 33 T HA 0.171 4.521 4.350 0.001 0.000 0.251 33 T C -0.491 174.220 174.700 0.019 0.000 1.040 33 T CA -0.773 61.342 62.100 0.024 0.000 0.985 33 T CB 1.439 70.316 68.868 0.014 0.000 1.011 33 T HN 0.399 8.698 8.240 0.099 0.000 0.509 34 S N -0.049 115.683 115.700 0.053 0.000 2.535 34 S HA 0.277 4.904 4.470 0.027 -0.140 0.272 34 S C -2.608 172.040 174.600 0.081 0.000 1.149 34 S CA -0.284 57.942 58.200 0.043 0.000 0.888 34 S CB 1.724 64.937 63.200 0.021 0.000 1.110 34 S HN -0.883 7.479 8.310 0.087 0.000 0.463 35 I N 6.141 126.742 120.570 0.052 0.000 2.500 35 I HA 0.390 4.753 4.170 0.061 -0.156 0.286 35 I C -2.057 174.063 176.117 0.005 0.000 1.063 35 I CA -0.510 60.805 61.300 0.026 0.000 1.062 35 I CB 3.687 41.674 38.000 -0.021 0.000 1.223 35 I HN 0.585 9.161 8.210 0.039 -0.343 0.435 36 I N 6.859 127.432 120.570 0.004 0.000 2.355 36 I HA 0.498 4.884 4.170 0.027 -0.200 0.288 36 I C -1.690 174.464 176.117 0.061 0.000 0.999 36 I CA -2.412 58.900 61.300 0.021 0.000 1.163 36 I CB -0.187 37.816 38.000 0.004 0.000 1.316 36 I HN 0.655 8.870 8.210 0.008 0.000 0.454 37 H N 8.939 128.015 119.070 0.011 0.000 2.547 37 H HA 0.451 5.290 4.556 0.080 -0.234 0.342 37 H C 0.092 175.600 175.328 0.299 0.000 1.048 37 H CA -2.612 53.506 56.048 0.117 0.000 1.204 37 H CB 3.391 33.259 29.762 0.176 0.000 1.493 37 H HN 0.106 8.478 8.280 0.153 0.000 0.511 38 Y N 8.879 128.949 120.300 -0.385 0.000 3.108 38 Y HA -0.495 4.024 4.550 -0.203 -0.091 0.208 38 Y C -1.020 174.856 175.900 -0.039 0.000 1.245 38 Y CA 1.517 59.471 58.100 -0.243 0.000 1.171 38 Y CB -2.338 35.927 38.460 -0.326 0.000 1.331 38 Y HN 0.137 8.304 8.280 -0.188 0.000 0.534 39 G N -2.081 106.662 108.800 -0.096 0.000 2.184 39 G HA2 -0.404 3.459 3.960 -0.163 0.000 0.264 39 G HA3 -0.404 3.573 3.960 -0.089 -0.071 0.264 39 G C -0.559 174.339 174.900 -0.003 0.000 0.975 39 G CA 0.235 45.279 45.100 -0.093 0.000 0.642 39 G HN -0.129 8.327 8.290 -0.073 -0.210 0.536 40 T N 2.758 117.349 114.554 0.062 0.000 2.824 40 T HA 0.158 4.538 4.350 0.051 0.000 0.282 40 T C -1.699 173.009 174.700 0.013 0.000 0.993 40 T CA -0.663 61.473 62.100 0.060 0.000 0.967 40 T CB 2.152 71.096 68.868 0.127 0.000 0.960 40 T HN -0.511 7.626 8.240 0.089 0.156 0.441 41 E N 7.469 127.674 120.200 0.008 0.000 2.324 41 E HA 0.072 4.613 4.350 0.010 -0.186 0.271 41 E C -0.565 176.034 176.600 -0.001 0.000 1.028 41 E CA -0.049 56.355 56.400 0.007 0.000 0.890 41 E CB -0.198 29.508 29.700 0.010 0.000 1.004 41 E HN 0.533 8.902 8.360 0.015 0.000 0.431 42 L N 5.061 126.292 121.223 0.013 0.000 2.609 42 L HA 0.168 4.514 4.340 0.010 0.000 0.230 42 L C -0.691 176.224 176.870 0.075 0.000 1.087 42 L CA -0.190 54.670 54.840 0.034 0.000 0.874 42 L CB 0.757 42.860 42.059 0.074 0.000 1.114 42 L HN 0.540 8.784 8.230 0.024 0.000 0.488 43 Q N -0.097 119.741 119.800 0.064 0.000 2.304 43 Q HA -0.074 4.310 4.340 0.072 0.000 0.260 43 Q C -0.250 175.798 176.000 0.081 0.000 0.965 43 Q CA -0.931 54.910 55.803 0.063 0.000 0.898 43 Q CB 0.548 29.308 28.738 0.036 0.000 1.196 43 Q HN -0.649 7.952 8.270 0.049 -0.302 0.402 44 Y N 9.158 129.422 120.300 -0.060 0.000 2.717 44 Y HA -0.202 4.344 4.550 -0.007 0.000 0.330 44 Y C 0.015 175.878 175.900 -0.060 0.000 1.217 44 Y CA 0.952 59.016 58.100 -0.060 0.000 1.506 44 Y CB 1.080 39.443 38.460 -0.162 0.000 1.268 44 Y HN -0.099 8.280 8.280 0.165 0.000 0.561 45 S N 6.101 121.512 115.700 -0.483 0.000 2.470 45 S HA -0.150 4.191 4.470 -0.214 0.000 0.225 45 S C 0.379 174.721 174.600 -0.431 0.000 1.006 45 S CA 1.650 59.637 58.200 -0.355 0.000 0.934 45 S CB -0.032 63.029 63.200 -0.233 0.000 0.778 45 S HN 0.342 8.330 8.310 -0.538 0.000 0.517 46 S N -1.136 114.088 115.700 -0.794 0.000 2.540 46 S HA 0.174 4.485 4.470 -0.266 0.000 0.218 46 S C -0.907 173.573 174.600 -0.200 0.000 0.977 46 S CA 0.297 58.242 58.200 -0.426 0.000 0.918 46 S CB 0.463 63.458 63.200 -0.340 0.000 0.806 46 S HN -0.293 7.122 8.310 -1.491 0.000 0.496 47 Q N -0.190 119.510 119.800 -0.167 0.000 2.320 47 Q HA 0.131 4.485 4.340 0.025 0.000 0.272 47 Q C -1.681 174.276 176.000 -0.072 0.000 1.023 47 Q CA -0.106 55.707 55.803 0.018 0.000 0.855 47 Q CB 2.598 31.434 28.738 0.163 0.000 1.367 47 Q HN -0.896 7.191 8.270 -0.305 0.000 0.406 48 G N 1.264 109.993 108.800 -0.119 0.000 2.562 48 G HA2 0.310 4.184 3.960 -0.143 0.000 0.275 48 G HA3 0.310 4.247 3.960 -0.165 -0.076 0.275 48 G C -1.807 172.681 174.900 -0.687 0.000 1.196 48 G CA -0.778 44.172 45.100 -0.250 0.000 0.908 48 G HN 0.338 8.621 8.290 -0.011 0.000 0.524 49 S N 0.209 115.632 115.700 -0.461 0.000 2.499 49 S HA 0.623 4.748 4.470 -0.774 -0.120 0.279 49 S C -0.905 173.442 174.600 -0.421 0.000 1.219 49 S CA 0.219 58.092 58.200 -0.544 0.000 1.062 49 S CB 0.905 63.987 63.200 -0.198 0.000 0.978 49 S HN -0.298 7.866 8.310 -0.243 0.000 0.489 50 H N 0.437 119.204 119.070 -0.506 0.000 2.935 50 H HA 0.261 4.804 4.556 -0.021 0.000 0.297 50 H C -2.271 172.832 175.328 -0.375 0.000 1.423 50 H CA -1.526 54.364 56.048 -0.263 0.000 1.161 50 H CB 1.480 31.186 29.762 -0.093 0.000 1.841 50 H HN 0.629 8.364 8.280 -0.908 0.000 0.506 51 I N 0.193 120.861 120.570 0.164 0.000 2.648 51 I HA -0.174 4.246 4.170 0.119 -0.179 0.284 51 I C 1.505 177.586 176.117 -0.060 0.000 1.153 51 I CA 0.776 62.132 61.300 0.093 0.000 1.426 51 I CB -1.667 36.404 38.000 0.118 0.000 1.381 51 I HN 0.493 8.854 8.210 0.252 0.000 0.571 52 G N 7.699 116.457 108.800 -0.071 0.000 2.561 52 G HA2 -0.443 3.446 3.960 -0.117 0.000 0.289 52 G HA3 -0.443 3.468 3.960 -0.081 0.000 0.289 52 G C -0.101 174.738 174.900 -0.103 0.000 1.169 52 G CA 0.976 46.017 45.100 -0.098 0.000 0.980 52 G HN 0.186 8.435 8.290 -0.068 0.000 0.550 53 S N 5.064 120.638 115.700 -0.211 0.000 2.601 53 S HA 0.149 4.556 4.470 -0.106 0.000 0.244 53 S C -0.884 173.249 174.600 -0.779 0.000 1.001 53 S CA -0.272 57.763 58.200 -0.276 0.000 0.984 53 S CB 0.931 64.091 63.200 -0.067 0.000 0.842 53 S HN 0.281 8.478 8.310 -0.189 0.000 0.474 54 G N -0.181 107.974 108.800 -1.074 0.000 2.592 54 G HA2 -0.117 3.443 3.960 -0.667 0.000 0.685 54 G HA3 -0.117 3.283 3.960 -0.933 0.000 0.685 54 G C -0.828 173.897 174.900 -0.291 0.000 1.278 54 G CA -0.565 44.041 45.100 -0.825 0.000 0.822 54 G HN -0.370 7.364 8.290 -0.815 0.067 0.652 55 L N 2.969 124.112 121.223 -0.134 0.000 2.395 55 L HA -0.105 4.196 4.340 -0.065 0.000 0.218 55 L C 1.377 178.221 176.870 -0.043 0.000 1.130 55 L CA 0.687 55.492 54.840 -0.057 0.000 0.826 55 L CB -0.093 41.964 42.059 -0.003 0.000 0.941 55 L HN 0.612 8.788 8.230 -0.090 0.000 0.451 56 G N -1.306 107.468 108.800 -0.044 0.000 5.045 56 G HA2 -0.431 3.514 3.960 -0.025 0.000 0.229 56 G HA3 -0.431 3.514 3.960 -0.024 0.000 0.229 56 G C -0.148 174.750 174.900 -0.004 0.000 1.440 56 G CA 0.561 45.647 45.100 -0.024 0.000 0.936 56 G HN 0.394 8.618 8.290 -0.054 0.034 0.690 57 S N 4.220 119.920 115.700 -0.001 0.000 2.538 57 S HA 0.616 5.319 4.470 0.009 -0.228 0.288 57 S C -1.839 172.768 174.600 0.011 0.000 1.108 57 S CA -0.713 57.490 58.200 0.006 0.000 0.971 57 S CB 3.337 66.540 63.200 0.004 0.000 1.041 57 S HN -0.382 7.893 8.310 -0.005 0.033 0.483 58 A N 2.815 125.646 122.820 0.018 0.000 2.587 58 A HA 0.390 4.831 4.320 0.019 -0.110 0.293 58 A C -1.717 175.884 177.584 0.028 0.000 1.087 58 A CA -1.095 50.956 52.037 0.023 0.000 0.692 58 A CB 3.152 22.170 19.000 0.031 0.000 1.291 58 A HN 0.360 8.521 8.150 0.019 0.000 0.407 59 T N 4.076 118.646 114.554 0.027 0.000 2.728 59 T HA 0.101 4.473 4.350 0.036 0.000 0.296 59 T C -0.783 173.948 174.700 0.051 0.000 0.940 59 T CA 0.578 62.699 62.100 0.035 0.000 1.013 59 T CB 0.443 69.328 68.868 0.029 0.000 0.912 59 T HN 0.099 8.353 8.240 0.023 0.000 0.484 60 V N 9.372 129.337 119.914 0.085 0.000 2.459 60 V HA 0.855 5.267 4.120 0.105 -0.228 0.295 60 V C -0.323 175.897 176.094 0.209 0.000 1.029 60 V CA -1.766 60.620 62.300 0.143 0.000 0.874 60 V CB 2.260 34.196 31.823 0.188 0.000 0.985 60 V HN 0.484 8.724 8.190 0.084 0.000 0.438 61 T N 2.027 116.652 114.554 0.118 0.000 2.906 61 T HA 0.407 4.801 4.350 0.073 0.000 0.295 61 T C -1.941 172.636 174.700 -0.205 0.000 1.075 61 T CA -2.866 59.241 62.100 0.011 0.000 1.005 61 T CB 3.087 71.954 68.868 -0.002 0.000 1.136 61 T HN 0.244 8.529 8.240 0.075 0.000 0.498 62 A N 1.615 124.157 122.820 -0.464 0.000 2.427 62 A HA 0.879 5.216 4.320 -0.327 -0.213 0.298 62 A C -1.161 176.222 177.584 -0.335 0.000 1.036 62 A CA -0.887 50.843 52.037 -0.512 0.000 0.701 62 A CB 3.158 21.553 19.000 -1.008 0.000 1.250 62 A HN 0.202 8.080 8.150 -0.453 0.000 0.412 63 T N 2.971 117.402 114.554 -0.205 0.000 2.916 63 T HA 0.276 4.537 4.350 -0.150 0.000 0.305 63 T C -1.824 172.813 174.700 -0.104 0.000 1.119 63 T CA -0.635 61.383 62.100 -0.136 0.000 1.008 63 T CB 3.244 72.063 68.868 -0.081 0.000 1.129 63 T HN 0.384 8.520 8.240 -0.174 0.000 0.480 64 Q N 5.319 125.068 119.800 -0.086 0.000 2.290 64 Q HA 0.455 4.950 4.340 -0.020 -0.167 0.259 64 Q C -0.815 175.199 176.000 0.024 0.000 0.941 64 Q CA -0.977 54.805 55.803 -0.035 0.000 0.912 64 Q CB 1.786 30.484 28.738 -0.066 0.000 1.244 64 Q HN 0.420 8.636 8.270 -0.090 0.000 0.441 65 S N 8.424 124.176 115.700 0.087 0.000 2.622 65 S HA 0.248 4.756 4.470 0.064 0.000 0.283 65 S C 0.219 174.922 174.600 0.172 0.000 1.197 65 S CA -1.715 56.544 58.200 0.099 0.000 1.146 65 S CB 0.294 63.535 63.200 0.069 0.000 1.007 65 S HN 0.553 8.940 8.310 0.127 0.000 0.478 66 G N 8.271 117.143 108.800 0.119 0.000 2.629 66 G HA2 -0.442 3.582 3.960 0.107 0.000 0.313 66 G HA3 -0.442 3.556 3.960 0.064 0.000 0.313 66 G C -0.683 174.264 174.900 0.078 0.000 1.217 66 G CA 1.652 46.810 45.100 0.097 0.000 0.994 66 G HN 0.609 8.951 8.290 0.087 0.000 0.549 67 D N 4.330 124.681 120.400 -0.083 0.000 2.336 67 D HA 0.249 4.608 4.640 -0.468 0.000 0.228 67 D C -1.381 174.569 176.300 -0.584 0.000 1.120 67 D CA 0.274 53.995 54.000 -0.465 0.000 0.839 67 D CB -0.048 40.384 40.800 -0.612 0.000 0.932 67 D HN 0.170 8.513 8.370 -0.046 0.000 0.509 68 Y N -2.534 117.860 120.300 0.158 0.000 2.499 68 Y HA 0.741 5.628 4.550 0.234 -0.197 0.347 68 Y C -1.213 174.809 175.900 0.203 0.000 0.987 68 Y CA -1.636 56.568 58.100 0.174 0.000 1.044 68 Y CB 3.943 42.382 38.460 -0.035 0.000 1.245 68 Y HN -0.332 7.907 8.280 0.245 0.189 0.461 69 I N 0.241 120.989 120.570 0.297 0.000 2.509 69 I HA 0.613 4.970 4.170 0.011 -0.180 0.293 69 I C -1.783 174.368 176.117 0.057 0.000 1.020 69 I CA -1.307 60.024 61.300 0.051 0.000 1.088 69 I CB 3.753 41.654 38.000 -0.165 0.000 1.267 69 I HN 0.352 8.775 8.210 0.355 0.000 0.430 70 K N 6.822 127.219 120.400 -0.005 0.000 2.376 70 K HA 0.699 5.208 4.320 0.029 -0.172 0.257 70 K C -1.696 174.900 176.600 -0.006 0.000 0.939 70 K CA -1.774 54.515 56.287 0.003 0.000 0.809 70 K CB 3.500 35.982 32.500 -0.030 0.000 1.121 70 K HN 0.656 8.885 8.250 -0.034 0.000 0.425 71 V N 8.385 128.331 119.914 0.053 0.000 2.398 71 V HA 0.692 4.982 4.120 -0.036 -0.191 0.286 71 V C -0.960 175.191 176.094 0.095 0.000 1.026 71 V CA -1.131 61.194 62.300 0.041 0.000 0.868 71 V CB 1.805 33.682 31.823 0.089 0.000 0.982 71 V HN 0.887 9.137 8.190 0.101 0.000 0.443 72 T N 9.657 124.237 114.554 0.044 0.000 2.807 72 T HA 0.551 4.981 4.350 -0.113 -0.148 0.279 72 T C -1.349 173.326 174.700 -0.042 0.000 0.993 72 T CA -0.342 61.738 62.100 -0.034 0.000 0.970 72 T CB 2.024 70.895 68.868 0.004 0.000 0.950 72 T HN 0.416 8.668 8.240 0.019 0.000 0.441 73 c N 7.639 126.178 118.600 -0.102 0.000 2.344 73 c HA 0.593 5.365 4.570 0.005 -0.199 0.326 73 c C -1.504 172.550 174.090 -0.060 0.000 1.201 73 c CA -0.998 55.313 56.329 -0.031 0.000 1.410 73 c CB 1.222 43.746 42.510 0.024 0.000 2.070 73 c HN 0.784 8.895 8.230 -0.198 0.000 0.445 74 V N 7.539 127.437 119.914 -0.026 0.000 2.394 74 V HA 0.388 4.494 4.120 -0.024 0.000 0.282 74 V C -0.155 175.945 176.094 0.010 0.000 1.031 74 V CA -0.646 61.647 62.300 -0.013 0.000 0.881 74 V CB 1.246 33.069 31.823 0.001 0.000 0.982 74 V HN 0.628 8.814 8.190 -0.007 0.000 0.451 75 T N 4.415 118.979 114.554 0.017 0.000 2.858 75 T HA 0.374 4.735 4.350 0.018 0.000 0.285 75 T C -0.094 174.623 174.700 0.028 0.000 1.052 75 T CA -2.464 59.647 62.100 0.019 0.000 1.009 75 T CB 2.996 71.871 68.868 0.012 0.000 1.241 75 T HN 0.365 8.617 8.240 0.020 0.000 0.542 76 D N -1.032 119.382 120.400 0.023 0.000 2.116 76 D HA -0.171 4.489 4.640 0.032 0.000 0.193 76 D C 1.091 177.412 176.300 0.036 0.000 0.998 76 D CA 3.392 57.408 54.000 0.028 0.000 0.836 76 D CB 0.122 40.933 40.800 0.020 0.000 0.951 76 D HN 0.553 8.934 8.370 0.017 0.000 0.449 77 T N -7.201 107.368 114.554 0.025 0.000 3.111 77 T HA 0.149 4.516 4.350 0.029 0.000 0.284 77 T C -1.325 173.379 174.700 0.008 0.000 0.983 77 T CA -0.979 61.131 62.100 0.017 0.000 0.900 77 T CB 1.565 70.431 68.868 -0.002 0.000 1.132 77 T HN -0.458 7.792 8.240 0.017 0.000 0.531 78 L N 1.231 122.472 121.223 0.030 0.000 2.493 78 L HA 0.840 5.422 4.340 0.040 -0.218 0.265 78 L C -2.536 174.372 176.870 0.063 0.000 0.954 78 L CA -0.665 54.198 54.840 0.038 0.000 0.844 78 L CB 3.274 45.335 42.059 0.004 0.000 1.302 78 L HN -0.679 7.572 8.230 0.034 0.000 0.405 79 T N 7.687 122.306 114.554 0.109 0.000 2.786 79 T HA 0.652 5.181 4.350 -0.060 -0.215 0.283 79 T C -1.801 172.843 174.700 -0.093 0.000 0.992 79 T CA -0.632 61.452 62.100 -0.028 0.000 0.954 79 T CB 1.748 70.574 68.868 -0.071 0.000 0.934 79 T HN 0.622 8.976 8.240 0.191 0.000 0.440 80 Q N 7.994 127.708 119.800 -0.143 0.000 2.271 80 Q HA 0.383 4.773 4.340 0.084 0.000 0.258 80 Q C -1.836 174.056 176.000 -0.180 0.000 0.936 80 Q CA -1.653 54.130 55.803 -0.033 0.000 0.909 80 Q CB 2.703 31.497 28.738 0.094 0.000 1.253 80 Q HN 0.387 8.577 8.270 -0.133 0.000 0.440 81 Y N 5.332 125.724 120.300 0.154 0.000 2.409 81 Y HA 0.760 5.563 4.550 0.093 -0.197 0.343 81 Y C -0.358 175.594 175.900 0.086 0.000 0.973 81 Y CA -1.999 56.169 58.100 0.113 0.000 1.064 81 Y CB 3.442 41.980 38.460 0.130 0.000 1.207 81 Y HN 0.308 8.762 8.280 0.289 0.000 0.452 82 M N 1.320 121.064 119.600 0.240 0.000 2.253 82 M HA 0.657 5.415 4.480 0.141 -0.194 0.314 82 M C -1.541 174.872 176.300 0.188 0.000 1.019 82 M CA -0.646 54.765 55.300 0.184 0.000 0.932 82 M CB 3.250 35.972 32.600 0.204 0.000 1.606 82 M HN 0.542 8.972 8.290 0.235 0.000 0.430 83 V N 3.841 123.876 119.914 0.201 0.000 2.656 83 V HA 1.034 5.476 4.120 0.147 -0.233 0.307 83 V C -1.467 174.849 176.094 0.371 0.000 1.051 83 V CA -2.187 60.227 62.300 0.190 0.000 0.893 83 V CB 3.113 34.902 31.823 -0.057 0.000 0.999 83 V HN 0.815 9.044 8.190 0.243 0.107 0.426 84 V N -0.893 119.231 119.914 0.351 0.000 2.914 84 V HA 0.575 4.961 4.120 0.444 0.000 0.314 84 V C -2.192 174.124 176.094 0.371 0.000 1.084 84 V CA -3.320 59.213 62.300 0.389 0.000 0.963 84 V CB 3.406 35.435 31.823 0.343 0.000 1.025 84 V HN 0.318 8.683 8.190 0.292 0.000 0.432 85 H N 4.171 123.308 119.070 0.111 0.000 2.505 85 H HA 0.499 4.933 4.556 -0.510 -0.184 0.338 85 H C -0.837 174.280 175.328 -0.351 0.000 1.057 85 H CA -2.284 53.586 56.048 -0.297 0.000 1.202 85 H CB 2.945 32.469 29.762 -0.396 0.000 1.466 85 H HN 0.397 8.868 8.280 0.318 0.000 0.499 86 N N 7.838 125.762 118.700 -1.293 0.000 2.315 86 N HA -0.570 3.585 4.740 -1.233 -0.155 0.270 86 N C 0.938 175.902 175.510 -0.909 0.000 1.329 86 N CA 1.624 53.806 53.050 -1.447 0.000 0.860 86 N CB -0.524 36.822 38.487 -1.902 0.000 1.095 86 N HN 0.092 7.583 8.380 -1.482 0.000 0.487 87 G N 6.690 115.223 108.800 -0.445 0.000 2.195 87 G HA2 -0.408 3.380 3.960 -0.287 0.000 0.224 87 G HA3 -0.408 3.642 3.960 -0.174 -0.194 0.224 87 G C -0.756 174.071 174.900 -0.120 0.000 0.990 87 G CA -0.161 44.789 45.100 -0.249 0.000 0.639 87 G HN 0.695 8.799 8.290 -0.310 0.000 0.514 88 D N 2.089 122.428 120.400 -0.102 0.000 2.278 88 D HA 0.483 5.109 4.640 -0.023 0.000 0.245 88 D C -1.697 174.558 176.300 -0.074 0.000 1.052 88 D CA -2.572 51.409 54.000 -0.032 0.000 0.834 88 D CB 1.125 41.976 40.800 0.086 0.000 1.194 88 D HN -0.415 7.867 8.370 -0.148 0.000 0.481 89 P HA 0.139 4.532 4.420 -0.046 0.000 0.218 89 P C -2.280 174.853 177.300 -0.278 0.000 1.793 89 P CA -0.122 62.886 63.100 -0.153 0.000 0.941 89 P CB -1.477 30.179 31.700 -0.073 0.000 1.919 90 I N -1.040 119.403 120.570 -0.212 0.000 2.569 90 I HA 0.505 4.721 4.170 -0.217 -0.176 0.290 90 I C -0.730 175.261 176.117 -0.210 0.000 1.088 90 I CA -1.574 59.557 61.300 -0.281 0.000 1.047 90 I CB 4.610 42.327 38.000 -0.473 0.000 1.237 90 I HN -0.429 7.652 8.210 -0.127 0.053 0.421 91 I N 6.616 127.083 120.570 -0.172 0.000 2.307 91 I HA 0.186 4.289 4.170 -0.112 0.000 0.287 91 I C -0.871 175.117 176.117 -0.215 0.000 1.054 91 I CA -0.992 60.191 61.300 -0.196 0.000 1.218 91 I CB -0.160 37.633 38.000 -0.346 0.000 1.398 91 I HN 0.414 8.580 8.210 -0.074 0.000 0.475 92 H N 7.762 126.878 119.070 0.076 0.000 2.562 92 H HA 0.403 5.083 4.556 -0.005 -0.127 0.352 92 H C -0.667 174.667 175.328 0.010 0.000 1.125 92 H CA -0.266 55.842 56.048 0.101 0.000 1.379 92 H CB 1.469 31.478 29.762 0.413 0.000 1.464 92 H HN 0.249 8.587 8.280 0.097 0.000 0.563 93 M N -0.263 119.267 119.600 -0.115 0.000 2.575 93 M HA 0.694 5.355 4.480 -0.020 -0.193 0.284 93 M C -2.119 174.038 176.300 -0.237 0.000 1.253 93 M CA -0.831 54.264 55.300 -0.341 0.000 0.861 93 M CB 5.877 37.840 32.600 -1.061 0.000 1.733 93 M HN 0.732 8.888 8.290 -0.223 0.000 0.462 94 A N -1.785 121.124 122.820 0.149 0.000 2.604 94 A HA 0.788 5.517 4.320 0.487 -0.117 0.295 94 A C -2.247 175.669 177.584 0.552 0.000 1.067 94 A CA -0.575 51.706 52.037 0.406 0.000 0.683 94 A CB 4.013 23.240 19.000 0.378 0.000 1.281 94 A HN 0.291 8.595 8.150 0.256 0.000 0.407 95 T N 2.816 117.714 114.554 0.573 0.000 2.890 95 T HA 0.555 5.281 4.350 0.407 -0.132 0.295 95 T C -1.985 172.975 174.700 0.433 0.000 0.993 95 T CA -0.450 61.916 62.100 0.443 0.000 0.979 95 T CB 2.050 71.117 68.868 0.332 0.000 0.967 95 T HN 0.187 8.778 8.240 0.586 0.000 0.441 96 Y N 10.210 130.679 120.300 0.282 0.000 2.353 96 Y HA 0.384 5.297 4.550 0.295 -0.186 0.340 96 Y C -2.361 173.635 175.900 0.160 0.000 0.972 96 Y CA -1.730 56.527 58.100 0.261 0.000 1.157 96 Y CB 1.798 40.444 38.460 0.309 0.000 1.157 96 Y HN 0.751 9.308 8.280 0.462 0.000 0.495 97 I N 2.030 122.402 120.570 -0.330 0.000 2.603 97 I HA 0.907 5.127 4.170 -0.208 -0.175 0.300 97 I C -0.546 175.304 176.117 -0.445 0.000 1.017 97 I CA -2.483 58.639 61.300 -0.296 0.000 1.098 97 I CB 4.142 42.045 38.000 -0.162 0.000 1.279 97 I HN 0.387 8.429 8.210 -0.279 0.000 0.437 98 T N 0.167 114.571 114.554 -0.250 0.000 3.044 98 T HA 0.155 4.398 4.350 -0.180 0.000 0.260 98 T C -0.453 174.211 174.700 -0.059 0.000 1.019 98 T CA -0.770 61.243 62.100 -0.146 0.000 0.921 98 T CB 0.511 69.349 68.868 -0.050 0.000 1.053 98 T HN 0.499 8.640 8.240 -0.165 0.000 0.533 99 A N 1.208 123.995 122.820 -0.055 0.000 2.594 99 A HA 0.152 4.471 4.320 -0.002 0.000 0.295 99 A C -2.414 175.150 177.584 -0.033 0.000 1.071 99 A CA -0.649 51.376 52.037 -0.020 0.000 0.685 99 A CB 2.254 21.250 19.000 -0.005 0.000 1.285 99 A HN -0.920 7.185 8.150 -0.075 0.000 0.405 100 E N 1.545 121.744 120.200 -0.001 0.000 2.414 100 E HA 0.038 4.324 4.350 -0.107 0.000 0.263 100 E C -1.286 175.290 176.600 -0.040 0.000 1.000 100 E CA -1.813 54.567 56.400 -0.034 0.000 0.914 100 E CB 0.712 30.463 29.700 0.084 0.000 0.948 100 E HN 0.168 8.549 8.360 0.036 0.000 0.444 101 P HA -0.013 4.378 4.420 -0.049 0.000 0.267 101 P C 0.887 178.173 177.300 -0.023 0.000 1.201 101 P CA 0.163 63.227 63.100 -0.060 0.000 0.775 101 P CB 0.525 32.171 31.700 -0.090 0.000 0.854 102 S N 0.989 116.682 115.700 -0.012 0.000 2.419 102 S HA -0.371 4.107 4.470 0.014 0.000 0.233 102 S C 1.102 175.712 174.600 0.016 0.000 1.016 102 S CA 2.542 60.746 58.200 0.006 0.000 0.974 102 S CB -0.227 62.975 63.200 0.004 0.000 0.786 102 S HN 0.445 8.744 8.310 -0.017 0.000 0.492 103 I N -0.437 120.137 120.570 0.007 0.000 2.614 103 I HA -0.186 4.003 4.170 0.031 0.000 0.258 103 I C 0.183 176.325 176.117 0.042 0.000 1.189 103 I CA -0.301 61.013 61.300 0.024 0.000 1.462 103 I CB 0.198 38.209 38.000 0.018 0.000 1.092 103 I HN -0.624 7.563 8.210 -0.007 0.019 0.442 104 G N -0.761 108.063 108.800 0.040 0.000 2.132 104 G HA2 -0.349 3.687 3.960 0.126 0.000 0.228 104 G HA3 -0.349 3.705 3.960 0.155 0.000 0.228 104 G C -1.918 173.024 174.900 0.070 0.000 1.000 104 G CA -0.125 45.040 45.100 0.107 0.000 0.693 104 G HN -0.299 7.869 8.290 0.016 0.132 0.515 105 E N -4.069 116.091 120.200 -0.067 0.000 2.430 105 E HA 0.582 4.945 4.350 -0.298 -0.192 0.279 105 E C -2.194 174.267 176.600 -0.231 0.000 1.003 105 E CA -2.125 54.177 56.400 -0.164 0.000 0.801 105 E CB 3.876 33.571 29.700 -0.008 0.000 1.313 105 E HN -0.656 7.666 8.360 -0.063 0.000 0.459 106 L N 1.331 122.369 121.223 -0.310 0.000 2.406 106 L HA 0.389 4.558 4.340 -0.284 0.000 0.270 106 L C -2.398 174.248 176.870 -0.373 0.000 0.982 106 L CA -0.575 54.055 54.840 -0.351 0.000 0.843 106 L CB 2.770 44.525 42.059 -0.507 0.000 1.225 106 L HN 0.292 8.411 8.230 -0.306 -0.073 0.412 107 R N 3.442 123.738 120.500 -0.339 0.000 2.808 107 R HA 0.680 4.921 4.340 -0.449 -0.170 0.272 107 R C -2.339 173.893 176.300 -0.113 0.000 0.995 107 R CA -2.060 53.792 56.100 -0.413 0.000 0.917 107 R CB 3.545 33.319 30.300 -0.876 0.000 1.217 107 R HN -0.337 7.777 8.270 -0.260 0.000 0.471 108 F N 2.423 122.307 119.950 -0.110 0.000 2.469 108 F HA 0.519 5.242 4.527 0.094 -0.140 0.332 108 F C -2.241 173.615 175.800 0.093 0.000 1.103 108 F CA -1.474 56.574 58.000 0.081 0.000 0.979 108 F CB 3.786 42.944 39.000 0.262 0.000 1.137 108 F HN 0.147 8.512 8.300 0.108 0.000 0.463 109 I N 6.904 127.060 120.570 -0.690 0.000 2.447 109 I HA 0.587 4.656 4.170 -0.426 -0.154 0.287 109 I C -2.885 172.773 176.117 -0.765 0.000 1.023 109 I CA -2.303 58.656 61.300 -0.568 0.000 1.083 109 I CB 4.000 41.773 38.000 -0.378 0.000 1.245 109 I HN 0.504 8.132 8.210 -0.970 0.000 0.434 110 A N 9.057 131.649 122.820 -0.380 0.000 2.252 110 A HA 0.393 4.554 4.320 -0.265 0.000 0.309 110 A C -1.634 175.797 177.584 -0.255 0.000 1.285 110 A CA -1.759 50.157 52.037 -0.201 0.000 0.900 110 A CB 1.002 20.058 19.000 0.094 0.000 1.157 110 A HN 0.851 8.865 8.150 -0.228 0.000 0.536 111 R N 5.318 125.620 120.500 -0.330 0.000 2.230 111 R HA 0.223 4.336 4.340 -0.379 0.000 0.337 111 R C -1.312 174.892 176.300 -0.161 0.000 1.063 111 R CA -0.888 54.950 56.100 -0.436 0.000 0.935 111 R CB 0.159 29.935 30.300 -0.873 0.000 1.121 111 R HN 0.049 8.108 8.270 -0.351 0.000 0.486 112 L N 2.608 123.823 121.223 -0.014 0.000 2.319 112 L HA 0.612 5.132 4.340 0.084 -0.129 0.267 112 L C -0.828 176.119 176.870 0.128 0.000 1.011 112 L CA -2.292 52.593 54.840 0.075 0.000 0.818 112 L CB 3.528 45.632 42.059 0.075 0.000 1.316 112 L HN 0.259 8.500 8.230 0.019 0.000 0.432 113 N N 0.660 119.440 118.700 0.133 0.000 2.414 113 N HA -0.180 4.675 4.740 0.191 0.000 0.268 113 N C 0.344 175.921 175.510 0.111 0.000 1.286 113 N CA 0.951 54.087 53.050 0.142 0.000 0.896 113 N CB 0.907 39.459 38.487 0.108 0.000 1.093 113 N HN 0.065 8.515 8.380 0.116 0.000 0.480 114 S N 5.585 121.347 115.700 0.103 0.000 2.527 114 S HA 0.005 4.683 4.470 0.066 -0.169 0.222 114 S C 1.005 175.643 174.600 0.063 0.000 0.985 114 S CA 1.443 59.682 58.200 0.065 0.000 0.921 114 S CB 0.401 63.613 63.200 0.020 0.000 0.772 114 S HN 0.658 9.039 8.310 0.118 0.000 0.529 115 D N 3.389 123.834 120.400 0.075 0.000 2.149 115 D HA -0.142 4.535 4.640 0.061 0.000 0.201 115 D C 1.115 177.467 176.300 0.087 0.000 0.972 115 D CA 2.491 56.535 54.000 0.072 0.000 0.835 115 D CB -0.151 40.692 40.800 0.073 0.000 0.966 115 D HN -0.503 8.080 8.370 0.086 -0.161 0.476 116 L N -4.447 116.836 121.223 0.101 0.000 2.307 116 L HA -0.098 4.334 4.340 0.153 0.000 0.211 116 L C -0.383 176.572 176.870 0.142 0.000 1.099 116 L CA 1.414 56.336 54.840 0.136 0.000 0.816 116 L CB 0.885 43.017 42.059 0.122 0.000 0.952 116 L HN -0.504 8.046 8.230 0.096 -0.262 0.455 117 L N -5.120 116.167 121.223 0.107 0.000 2.529 117 L HA 0.502 4.923 4.340 0.106 -0.017 0.246 117 L C -1.879 175.035 176.870 0.073 0.000 1.394 117 L CA -2.233 52.665 54.840 0.096 0.000 0.906 117 L CB 0.412 42.525 42.059 0.090 0.000 1.170 117 L HN -0.600 7.687 8.230 0.095 0.000 0.501 118 P HA 0.108 4.634 4.420 0.041 -0.081 0.227 118 P C -0.664 176.664 177.300 0.048 0.000 1.161 118 P CA 0.494 63.623 63.100 0.049 0.000 0.788 118 P CB 0.739 32.467 31.700 0.046 0.000 0.822 119 N N -1.413 117.321 118.700 0.056 0.000 2.443 119 N HA 0.205 4.978 4.740 0.056 0.000 0.293 119 N C -1.482 174.068 175.510 0.067 0.000 1.159 119 N CA -1.409 51.675 53.050 0.057 0.000 0.904 119 N CB 2.382 40.899 38.487 0.051 0.000 1.214 119 N HN -0.323 8.052 8.380 0.060 0.042 0.513 120 E N -0.655 119.591 120.200 0.078 0.000 2.210 120 E HA 0.368 4.900 4.350 0.103 -0.120 0.266 120 E C -1.364 175.290 176.600 0.091 0.000 0.883 120 E CA -0.801 55.660 56.400 0.102 0.000 0.761 120 E CB 2.740 32.517 29.700 0.128 0.000 1.156 120 E HN 0.320 8.726 8.360 0.077 0.000 0.412 121 E N 3.089 123.337 120.200 0.081 0.000 2.248 121 E HA 0.473 4.815 4.350 -0.014 0.000 0.267 121 E C -1.702 174.889 176.600 -0.015 0.000 0.877 121 E CA -3.216 53.193 56.400 0.014 0.000 0.759 121 E CB 1.838 31.541 29.700 0.004 0.000 1.182 121 E HN 0.269 8.691 8.360 0.103 0.000 0.418 122 P HA 0.168 4.473 4.420 -0.191 0.000 0.267 122 P C -1.189 175.883 177.300 -0.380 0.000 1.289 122 P CA 1.085 63.968 63.100 -0.361 0.000 0.866 122 P CB 0.149 31.526 31.700 -0.537 0.000 1.309 123 F N -0.666 119.335 119.950 0.084 0.000 2.749 123 F HA 0.231 4.800 4.527 0.070 0.000 0.300 123 F C 0.993 176.836 175.800 0.072 0.000 1.103 123 F CA -0.385 57.662 58.000 0.078 0.000 1.342 123 F CB -0.016 39.039 39.000 0.092 0.000 1.098 123 F HN -0.495 7.791 8.300 -0.023 0.000 0.586 124 G N 0.179 109.088 108.800 0.182 0.000 2.553 124 G HA2 -0.435 3.597 3.960 0.120 0.000 0.242 124 G HA3 -0.435 3.696 3.960 0.101 -0.110 0.242 124 G C -0.529 174.457 174.900 0.143 0.000 1.277 124 G CA 0.318 45.497 45.100 0.133 0.000 0.910 124 G HN -0.550 7.825 8.290 0.142 0.000 0.576 125 D N 1.873 122.341 120.400 0.112 0.000 2.324 125 D HA -0.115 4.581 4.640 0.093 0.000 0.235 125 D C 1.797 178.167 176.300 0.117 0.000 1.095 125 D CA 0.511 54.569 54.000 0.097 0.000 0.871 125 D CB -1.136 39.706 40.800 0.068 0.000 0.906 125 D HN 0.310 8.740 8.370 0.100 0.000 0.522 126 V N -4.660 115.347 119.914 0.154 0.000 2.759 126 V HA -0.216 4.011 4.120 0.177 0.000 0.256 126 V C -0.102 176.136 176.094 0.239 0.000 1.080 126 V CA 2.461 64.878 62.300 0.195 0.000 1.101 126 V CB -1.022 30.915 31.823 0.190 0.000 0.698 126 V HN -0.634 7.585 8.190 0.167 0.071 0.477 127 S N -4.919 110.886 115.700 0.176 0.000 2.568 127 S HA 0.225 4.859 4.470 0.103 -0.102 0.232 127 S C -0.320 174.317 174.600 0.062 0.000 0.975 127 S CA -1.170 57.099 58.200 0.115 0.000 0.949 127 S CB 0.623 63.888 63.200 0.109 0.000 0.829 127 S HN -0.714 7.671 8.310 0.169 0.027 0.479 128 T N 5.892 120.480 114.554 0.057 0.000 2.723 128 T HA 0.183 4.727 4.350 -0.021 -0.207 0.297 128 T C 0.146 174.821 174.700 -0.042 0.000 0.925 128 T CA 1.328 63.428 62.100 0.001 0.000 1.030 128 T CB 0.548 69.425 68.868 0.015 0.000 0.905 128 T HN -0.472 7.638 8.240 0.082 0.179 0.502 129 T N 3.908 118.376 114.554 -0.143 0.000 3.054 129 T HA 0.125 4.361 4.350 -0.191 0.000 0.255 129 T C -0.219 174.255 174.700 -0.378 0.000 1.035 129 T CA -0.999 60.920 62.100 -0.302 0.000 0.941 129 T CB 0.131 68.659 68.868 -0.567 0.000 1.026 129 T HN 0.213 8.358 8.240 -0.160 0.000 0.533 130 A N 2.001 124.674 122.820 -0.245 0.000 2.567 130 A HA -0.334 3.980 4.320 -0.246 -0.141 0.240 130 A C -0.950 176.545 177.584 -0.149 0.000 1.053 130 A CA 1.734 53.649 52.037 -0.202 0.000 0.755 130 A CB -0.104 18.817 19.000 -0.133 0.000 0.978 130 A HN -0.716 7.318 8.150 -0.193 0.000 0.507 131 D N -1.814 118.505 120.400 -0.134 0.000 3.079 131 D HA -0.313 4.291 4.640 -0.059 0.000 0.214 131 D C 0.084 176.353 176.300 -0.052 0.000 1.145 131 D CA 1.461 55.418 54.000 -0.072 0.000 0.958 131 D CB -0.888 39.889 40.800 -0.039 0.000 1.117 131 D HN 0.501 8.781 8.370 -0.150 0.000 0.416 132 G N -2.236 106.496 108.800 -0.112 0.000 2.448 132 G HA2 0.284 4.290 3.960 -0.038 0.000 0.285 132 G HA3 0.284 4.450 3.960 0.055 -0.173 0.285 132 G C -1.013 174.006 174.900 0.199 0.000 1.176 132 G CA -0.285 44.821 45.100 0.010 0.000 0.852 132 G HN -0.410 7.697 8.290 -0.227 0.046 0.530 133 T N -0.608 114.108 114.554 0.270 0.000 2.794 133 T HA 0.228 4.743 4.350 0.274 0.000 0.280 133 T C -0.414 174.414 174.700 0.213 0.000 0.987 133 T CA -1.971 60.277 62.100 0.247 0.000 0.993 133 T CB 2.322 71.252 68.868 0.104 0.000 0.939 133 T HN -0.091 8.275 8.240 0.210 0.000 0.449 134 A N 6.134 128.982 122.820 0.046 0.000 2.520 134 A HA -0.026 3.945 4.320 -0.848 -0.159 0.245 134 A C -0.027 177.406 177.584 -0.251 0.000 1.072 134 A CA 0.252 52.044 52.037 -0.409 0.000 0.761 134 A CB 0.024 18.769 19.000 -0.425 0.000 1.004 134 A HN 0.605 8.820 8.150 0.108 0.000 0.499 135 I N -3.115 117.264 120.570 -0.317 0.000 4.181 135 I HA 0.300 4.366 4.170 -0.173 0.000 0.331 135 I C 0.178 176.140 176.117 -0.258 0.000 1.312 135 I CA 0.361 61.517 61.300 -0.240 0.000 1.146 135 I CB 1.675 39.528 38.000 -0.246 0.000 1.074 135 I HN 0.478 8.436 8.210 -0.420 0.000 0.402 136 E N 0.722 120.735 120.200 -0.312 0.000 2.307 136 E HA 0.181 4.431 4.350 -0.166 0.000 0.280 136 E C -0.735 175.725 176.600 -0.234 0.000 0.900 136 E CA -0.560 55.703 56.400 -0.227 0.000 0.790 136 E CB 2.762 32.345 29.700 -0.195 0.000 1.261 136 E HN -0.640 7.482 8.360 -0.397 0.000 0.405 137 G N 6.423 115.132 108.800 -0.152 0.000 2.627 137 G HA2 -0.294 3.605 3.960 -0.102 0.000 0.312 137 G HA3 -0.294 3.619 3.960 -0.079 0.000 0.312 137 G C -1.014 173.784 174.900 -0.170 0.000 1.299 137 G CA 1.085 46.114 45.100 -0.119 0.000 0.989 137 G HN 0.235 8.455 8.290 -0.116 0.000 0.547 138 S N 2.448 118.069 115.700 -0.131 0.000 2.664 138 S HA 0.137 4.455 4.470 -0.253 0.000 0.245 138 S C -0.864 173.650 174.600 -0.144 0.000 1.019 138 S CA -0.287 57.828 58.200 -0.143 0.000 0.996 138 S CB 0.933 64.145 63.200 0.021 0.000 0.878 138 S HN -0.028 8.237 8.310 -0.074 0.000 0.493 139 D N -1.669 118.597 120.400 -0.224 0.000 2.520 139 D HA 0.262 5.019 4.640 0.196 0.000 0.223 139 D C -1.892 174.349 176.300 -0.098 0.000 1.186 139 D CA -0.214 53.779 54.000 -0.012 0.000 0.821 139 D CB 1.111 41.992 40.800 0.135 0.000 1.072 139 D HN -0.341 7.813 8.370 -0.270 0.054 0.518 140 V N -1.005 118.668 119.914 -0.402 0.000 2.656 140 V HA 0.478 4.704 4.120 -0.081 -0.155 0.307 140 V C -1.910 173.868 176.094 -0.527 0.000 1.051 140 V CA -0.597 61.532 62.300 -0.286 0.000 0.893 140 V CB 2.712 34.398 31.823 -0.229 0.000 0.999 140 V HN -0.659 7.216 8.190 -0.525 0.000 0.426 141 F N 3.796 123.704 119.950 -0.071 0.000 2.603 141 F HA 0.595 5.243 4.527 -0.060 -0.157 0.317 141 F C -1.449 174.332 175.800 -0.032 0.000 1.066 141 F CA -1.820 56.150 58.000 -0.050 0.000 0.941 141 F CB 5.031 44.013 39.000 -0.029 0.000 1.291 141 F HN 0.625 9.040 8.300 0.191 0.000 0.472 142 L N -0.250 121.073 121.223 0.166 0.000 2.272 142 L HA 0.401 4.970 4.340 0.099 -0.170 0.289 142 L C -1.153 175.786 176.870 0.115 0.000 1.032 142 L CA -0.674 54.230 54.840 0.107 0.000 0.810 142 L CB 2.063 44.154 42.059 0.053 0.000 1.205 142 L HN 0.520 8.846 8.230 0.160 0.000 0.422 143 V N 4.382 124.349 119.914 0.089 0.000 2.313 143 V HA 0.296 4.444 4.120 0.047 0.000 0.278 143 V C 0.305 176.425 176.094 0.043 0.000 1.017 143 V CA -1.365 60.967 62.300 0.054 0.000 0.823 143 V CB 0.380 32.225 31.823 0.037 0.000 1.010 143 V HN 0.254 8.499 8.190 0.092 0.000 0.443 144 G N 8.466 117.287 108.800 0.035 0.000 2.591 144 G HA2 -0.390 3.587 3.960 0.027 0.000 0.298 144 G HA3 -0.390 3.586 3.960 0.026 0.000 0.298 144 G C -0.409 174.510 174.900 0.033 0.000 1.195 144 G CA 1.631 46.748 45.100 0.030 0.000 0.989 144 G HN 0.447 8.757 8.290 0.033 0.000 0.551 145 S N 4.416 120.135 115.700 0.031 0.000 2.572 145 S HA 0.076 4.564 4.470 0.031 0.000 0.228 145 S C -0.420 174.202 174.600 0.037 0.000 0.963 145 S CA -0.497 57.721 58.200 0.030 0.000 0.939 145 S CB 0.535 63.750 63.200 0.024 0.000 0.804 145 S HN 0.112 8.439 8.310 0.028 0.000 0.480 146 E N 1.957 122.184 120.200 0.045 0.000 2.175 146 E HA 0.296 4.675 4.350 0.048 0.000 0.278 146 E C -0.513 176.137 176.600 0.084 0.000 0.969 146 E CA -1.515 54.919 56.400 0.056 0.000 0.796 146 E CB 2.157 31.889 29.700 0.053 0.000 1.104 146 E HN -0.652 7.682 8.360 0.046 0.054 0.395 147 T N 2.826 117.438 114.554 0.098 0.000 2.913 147 T HA 0.536 5.173 4.350 0.133 -0.208 0.297 147 T C -0.140 174.716 174.700 0.260 0.000 1.029 147 T CA -0.404 61.789 62.100 0.155 0.000 1.104 147 T CB 1.008 69.975 68.868 0.166 0.000 0.964 147 T HN 0.293 8.895 8.240 0.081 -0.314 0.532 148 R N 0.271 120.961 120.500 0.316 0.000 2.668 148 R HA 0.693 5.437 4.340 0.426 -0.148 0.272 148 R C -1.838 174.574 176.300 0.188 0.000 1.019 148 R CA -1.724 54.567 56.100 0.318 0.000 0.894 148 R CB 4.686 35.099 30.300 0.188 0.000 1.228 148 R HN 0.252 8.687 8.270 0.276 0.000 0.460 149 S N -0.725 114.940 115.700 -0.057 0.000 2.542 149 S HA 0.442 4.918 4.470 0.009 0.000 0.276 149 S C -0.076 174.403 174.600 -0.201 0.000 1.148 149 S CA -1.510 56.530 58.200 -0.266 0.000 0.886 149 S CB 2.227 64.917 63.200 -0.850 0.000 1.109 149 S HN -0.205 8.134 8.310 0.048 0.000 0.458 150 A N 8.752 131.516 122.820 -0.094 0.000 1.997 150 A HA -0.182 4.098 4.320 -0.067 0.000 0.221 150 A C 1.716 179.139 177.584 -0.268 0.000 1.172 150 A CA 2.875 54.819 52.037 -0.155 0.000 0.645 150 A CB -0.158 18.709 19.000 -0.223 0.000 0.813 150 A HN 0.886 9.025 8.150 -0.018 0.000 0.454 151 F N -3.380 116.359 119.950 -0.351 0.000 2.333 151 F HA -0.310 4.051 4.527 -0.277 0.000 0.300 151 F C 1.838 177.547 175.800 -0.152 0.000 1.083 151 F CA 3.234 61.040 58.000 -0.323 0.000 1.395 151 F CB -0.155 38.609 39.000 -0.393 0.000 1.056 151 F HN -0.725 7.506 8.300 -0.079 0.022 0.529 152 Y N -3.618 116.727 120.300 0.075 0.000 2.578 152 Y HA 0.186 4.703 4.550 -0.055 0.000 0.297 152 Y C 1.693 177.542 175.900 -0.085 0.000 1.176 152 Y CA -2.163 55.925 58.100 -0.019 0.000 1.315 152 Y CB -1.762 36.705 38.460 0.012 0.000 1.031 152 Y HN -0.330 7.661 8.280 -0.251 0.139 0.524 153 S N -0.916 114.833 115.700 0.083 0.000 2.593 153 S HA -0.029 4.581 4.470 0.233 0.000 0.217 153 S C 0.173 174.819 174.600 0.077 0.000 0.966 153 S CA 0.169 58.449 58.200 0.133 0.000 0.914 153 S CB -0.389 62.899 63.200 0.146 0.000 0.776 153 S HN -0.466 7.813 8.310 0.045 0.059 0.523 154 S N 2.175 117.853 115.700 -0.036 0.000 2.593 154 S HA -0.013 4.621 4.470 0.059 -0.128 0.269 154 S C -1.008 173.604 174.600 0.020 0.000 1.334 154 S CA 0.333 58.536 58.200 0.005 0.000 1.015 154 S CB 1.566 64.754 63.200 -0.020 0.000 0.912 154 S HN -0.624 7.599 8.310 -0.039 0.064 0.541 155 E N 1.220 121.518 120.200 0.164 0.000 2.366 155 E HA 0.161 4.615 4.350 0.174 0.000 0.278 155 E C -1.721 175.005 176.600 0.209 0.000 0.923 155 E CA -1.759 54.787 56.400 0.243 0.000 0.761 155 E CB 3.592 33.559 29.700 0.445 0.000 1.231 155 E HN 0.103 8.580 8.360 0.196 0.000 0.443 156 R N 4.610 125.200 120.500 0.149 0.000 2.537 156 R HA -0.245 4.209 4.340 -0.052 -0.145 0.281 156 R C 1.386 177.790 176.300 0.173 0.000 0.988 156 R CA 1.346 57.491 56.100 0.075 0.000 1.077 156 R CB -0.215 30.153 30.300 0.113 0.000 0.932 156 R HN 0.491 8.857 8.270 0.160 0.000 0.409 157 F N 4.625 124.469 119.950 -0.177 0.000 2.202 157 F HA -0.129 4.272 4.527 -0.210 0.000 0.301 157 F C 2.641 178.224 175.800 -0.362 0.000 1.082 157 F CA 0.261 58.044 58.000 -0.363 0.000 1.313 157 F CB -0.678 37.984 39.000 -0.563 0.000 1.024 157 F HN 0.539 8.811 8.300 -0.046 0.000 0.495 158 I N -1.088 119.299 120.570 -0.305 0.000 2.567 158 I HA -0.387 3.765 4.170 -0.031 0.000 0.257 158 I C 0.210 176.404 176.117 0.128 0.000 1.184 158 I CA 2.588 63.741 61.300 -0.245 0.000 1.451 158 I CB 0.025 37.610 38.000 -0.691 0.000 1.089 158 I HN -0.393 7.532 8.210 -0.460 0.009 0.441 159 D N -3.051 117.455 120.400 0.176 0.000 2.402 159 D HA 0.158 4.972 4.640 0.290 0.000 0.216 159 D C -1.088 175.374 176.300 0.270 0.000 1.128 159 D CA 0.187 54.343 54.000 0.260 0.000 0.833 159 D CB 0.612 41.572 40.800 0.267 0.000 0.971 159 D HN -0.458 7.849 8.370 0.141 0.148 0.503 160 D N 0.220 120.797 120.400 0.295 0.000 2.683 160 D HA 0.309 5.159 4.640 0.350 0.000 0.309 160 D C -0.624 175.889 176.300 0.355 0.000 1.238 160 D CA -1.249 52.972 54.000 0.369 0.000 0.936 160 D CB -0.558 40.539 40.800 0.494 0.000 1.001 160 D HN -0.651 7.781 8.370 0.267 0.098 0.505 161 Q N -0.792 119.156 119.800 0.248 0.000 2.398 161 Q HA 0.014 4.652 4.340 0.174 -0.193 0.204 161 Q C -0.162 175.858 176.000 0.033 0.000 0.932 161 Q CA 0.733 56.628 55.803 0.154 0.000 0.916 161 Q CB 1.188 30.007 28.738 0.135 0.000 1.024 161 Q HN -0.012 8.394 8.270 0.227 0.000 0.504 162 R N -2.147 118.385 120.500 0.053 0.000 2.535 162 R HA 0.856 5.367 4.340 -0.147 -0.260 0.274 162 R C -1.852 174.474 176.300 0.044 0.000 1.090 162 R CA -0.715 55.359 56.100 -0.042 0.000 0.930 162 R CB 2.720 32.996 30.300 -0.040 0.000 1.223 162 R HN -0.513 7.831 8.270 0.123 0.000 0.441 163 H N 1.116 120.213 119.070 0.045 0.000 3.012 163 H HA 0.455 5.026 4.556 0.026 0.000 0.367 163 H C -3.251 172.103 175.328 0.042 0.000 1.211 163 H CA -1.442 54.642 56.048 0.060 0.000 1.139 163 H CB 2.301 32.150 29.762 0.146 0.000 1.838 163 H HN -0.238 7.792 8.280 -0.415 0.000 0.550 164 c N -2.346 116.360 118.600 0.176 0.000 3.236 164 c HA 0.872 5.604 4.570 0.047 -0.133 0.312 164 c C -1.366 172.786 174.090 0.103 0.000 1.374 164 c CA -1.292 55.084 56.329 0.078 0.000 1.455 164 c CB 4.309 46.823 42.510 0.006 0.000 1.834 164 c HN 0.283 8.632 8.230 0.199 0.000 0.460 165 I N -5.199 115.407 120.570 0.060 0.000 2.846 165 I HA 1.016 5.368 4.170 0.074 -0.138 0.307 165 I C -2.410 173.733 176.117 0.043 0.000 1.053 165 I CA -2.589 58.748 61.300 0.062 0.000 1.050 165 I CB 4.085 42.127 38.000 0.069 0.000 1.239 165 I HN 0.389 8.615 8.210 0.027 0.000 0.439 166 A N -0.064 122.790 122.820 0.057 0.000 2.608 166 A HA 0.733 5.219 4.320 0.075 -0.121 0.292 166 A C -2.318 175.312 177.584 0.077 0.000 1.066 166 A CA -0.596 51.479 52.037 0.064 0.000 0.676 166 A CB 3.543 22.569 19.000 0.043 0.000 1.277 166 A HN 0.121 8.308 8.150 0.062 0.000 0.413 167 G N -0.692 108.166 108.800 0.096 0.000 2.975 167 G HA2 0.352 4.613 3.960 0.117 0.000 0.291 167 G HA3 0.352 4.357 3.960 0.075 0.000 0.291 167 G C -1.943 173.001 174.900 0.073 0.000 1.334 167 G CA -0.515 44.641 45.100 0.093 0.000 0.843 167 G HN 0.190 8.546 8.290 0.111 0.000 0.548 168 D N -3.560 116.879 120.400 0.064 0.000 2.349 168 D HA -0.035 4.618 4.640 0.023 0.000 0.224 168 D C 0.336 176.634 176.300 -0.003 0.000 1.029 168 D CA 1.137 55.156 54.000 0.031 0.000 0.879 168 D CB -0.225 40.593 40.800 0.029 0.000 0.906 168 D HN 0.283 8.698 8.370 0.076 0.000 0.528 169 A N -2.967 119.847 122.820 -0.011 0.000 2.548 169 A HA 0.340 4.550 4.320 -0.184 0.000 0.236 169 A C -2.069 175.236 177.584 -0.466 0.000 1.246 169 A CA -0.260 51.657 52.037 -0.200 0.000 0.993 169 A CB 1.977 20.870 19.000 -0.179 0.000 1.209 169 A HN 0.012 8.145 8.150 0.057 0.051 0.570 170 H N -3.461 115.681 119.070 0.120 0.000 3.012 170 H HA 0.698 5.623 4.556 0.194 -0.253 0.367 170 H C -2.219 173.153 175.328 0.074 0.000 1.211 170 H CA -0.893 55.246 56.048 0.153 0.000 1.139 170 H CB 4.353 34.245 29.762 0.217 0.000 1.838 170 H HN -0.398 7.960 8.280 0.130 0.000 0.550 171 R N 0.372 120.960 120.500 0.148 0.000 2.604 171 R HA 0.546 5.053 4.340 0.053 -0.135 0.281 171 R C -2.792 173.473 176.300 -0.058 0.000 1.020 171 R CA -0.960 55.167 56.100 0.044 0.000 0.899 171 R CB 3.780 34.090 30.300 0.018 0.000 1.205 171 R HN 0.501 8.857 8.270 0.143 0.000 0.450 172 V N 5.570 125.407 119.914 -0.127 0.000 2.483 172 V HA 0.810 4.859 4.120 -0.485 -0.220 0.297 172 V C -1.649 174.316 176.094 -0.215 0.000 1.027 172 V CA -1.374 60.721 62.300 -0.341 0.000 0.855 172 V CB 2.905 34.454 31.823 -0.457 0.000 0.995 172 V HN 0.366 8.512 8.190 -0.073 0.000 0.424 173 c N 6.480 124.948 118.600 -0.220 0.000 2.507 173 c HA 0.594 5.235 4.570 -0.117 -0.141 0.319 173 c C -0.884 173.104 174.090 -0.170 0.000 1.208 173 c CA -1.449 54.792 56.329 -0.148 0.000 1.619 173 c CB 3.745 46.180 42.510 -0.126 0.000 2.230 173 c HN 0.569 8.642 8.230 -0.261 0.000 0.492 174 M N 2.046 121.513 119.600 -0.221 0.000 2.146 174 M HA 0.545 5.088 4.480 -0.183 -0.173 0.357 174 M C -0.998 175.121 176.300 -0.301 0.000 1.261 174 M CA -1.371 53.764 55.300 -0.274 0.000 1.106 174 M CB 0.479 32.834 32.600 -0.409 0.000 1.612 174 M HN 0.324 8.466 8.290 -0.248 0.000 0.470 175 I N 4.100 124.541 120.570 -0.216 0.000 2.382 175 I HA 0.529 4.804 4.170 -0.180 -0.213 0.286 175 I C -1.405 174.556 176.117 -0.259 0.000 1.002 175 I CA -0.911 60.283 61.300 -0.178 0.000 1.135 175 I CB 1.706 39.666 38.000 -0.067 0.000 1.288 175 I HN 0.722 8.828 8.210 -0.173 0.000 0.448 176 L N 7.926 128.969 121.223 -0.300 0.000 2.384 176 L HA 0.465 4.398 4.340 -0.678 0.000 0.261 176 L C -1.211 175.513 176.870 -0.243 0.000 1.024 176 L CA -0.766 53.765 54.840 -0.515 0.000 0.899 176 L CB 0.097 41.706 42.059 -0.751 0.000 1.243 176 L HN 0.437 8.434 8.230 -0.204 0.110 0.449 177 N N 1.261 119.838 118.700 -0.206 0.000 2.214 177 N HA 0.185 4.950 4.740 0.042 0.000 0.214 177 N C -0.501 174.978 175.510 -0.053 0.000 1.132 177 N CA -0.039 52.979 53.050 -0.052 0.000 0.856 177 N CB 1.152 39.618 38.487 -0.035 0.000 1.020 177 N HN 0.450 8.679 8.380 -0.253 0.000 0.509 178 Q N -0.541 119.166 119.800 -0.156 0.000 2.878 178 Q HA 0.165 4.490 4.340 -0.026 0.000 0.232 178 Q C -1.716 174.261 176.000 -0.039 0.000 0.893 178 Q CA -0.145 55.612 55.803 -0.077 0.000 0.742 178 Q CB 0.232 28.925 28.738 -0.075 0.000 1.354 178 Q HN -0.378 7.698 8.270 -0.324 0.000 0.466 179 Y N 4.164 124.462 120.300 -0.003 0.000 2.532 179 Y HA 0.038 4.779 4.550 0.317 0.000 0.283 179 Y C 0.898 176.731 175.900 -0.113 0.000 1.181 179 Y CA -0.381 57.776 58.100 0.095 0.000 1.256 179 Y CB -0.488 38.096 38.460 0.206 0.000 1.112 179 Y HN 0.305 8.695 8.280 0.184 0.000 0.521 180 E N 1.063 121.187 120.200 -0.127 0.000 2.209 180 E HA -0.295 3.986 4.350 -0.584 -0.282 0.196 180 E C 1.098 177.553 176.600 -0.241 0.000 0.993 180 E CA 2.850 59.029 56.400 -0.368 0.000 0.819 180 E CB -0.521 28.942 29.700 -0.395 0.000 0.745 180 E HN -0.444 8.014 8.360 -0.091 -0.153 0.477 181 S N -1.844 113.737 115.700 -0.198 0.000 2.556 181 S HA 0.124 4.440 4.470 -0.256 0.000 0.216 181 S C -0.928 173.563 174.600 -0.183 0.000 0.970 181 S CA -0.289 57.700 58.200 -0.352 0.000 0.912 181 S CB 0.413 63.080 63.200 -0.888 0.000 0.790 181 S HN 0.050 8.245 8.310 -0.153 0.024 0.504 182 S N 1.326 117.058 115.700 0.054 0.000 2.626 182 S HA 0.111 4.824 4.470 0.183 -0.132 0.257 182 S C -0.631 174.084 174.600 0.191 0.000 1.288 182 S CA 1.047 59.373 58.200 0.211 0.000 0.980 182 S CB 1.172 64.654 63.200 0.470 0.000 0.975 182 S HN -0.649 7.563 8.310 0.094 0.155 0.577 183 S N -0.911 114.879 115.700 0.151 0.000 2.542 183 S HA 0.295 4.934 4.470 0.104 -0.107 0.293 183 S C 0.069 174.603 174.600 -0.109 0.000 1.089 183 S CA -0.687 57.553 58.200 0.067 0.000 0.961 183 S CB 2.880 66.153 63.200 0.123 0.000 1.062 183 S HN 0.241 8.627 8.310 0.128 0.000 0.483 184 G N 1.906 110.672 108.800 -0.056 0.000 2.179 184 G HA2 -0.256 3.623 3.960 -0.134 0.000 0.220 184 G HA3 -0.256 3.668 3.960 -0.059 0.000 0.220 184 G C -0.400 174.452 174.900 -0.079 0.000 0.990 184 G CA -0.052 44.999 45.100 -0.082 0.000 0.646 184 G HN 0.790 9.450 8.290 -0.005 -0.373 0.517 185 G N 0.012 108.791 108.800 -0.035 0.000 2.725 185 G HA2 -0.281 3.417 3.960 -0.436 0.000 0.220 185 G HA3 -0.281 3.664 3.960 -0.136 -0.068 0.220 185 G C -1.916 172.518 174.900 -0.777 0.000 1.357 185 G CA -0.395 44.521 45.100 -0.306 0.000 0.866 185 G HN -0.519 8.094 8.290 0.097 -0.265 0.548 186 P HA -0.027 2.373 4.420 -3.366 0.000 0.223 186 P C -0.120 176.359 177.300 -1.369 0.000 1.151 186 P CA 2.254 63.971 63.100 -2.306 0.000 0.787 186 P CB 0.318 30.604 31.700 -2.356 0.000 0.788 187 F N -6.999 112.559 119.950 -0.653 0.000 2.695 187 F HA 0.056 4.328 4.527 -0.426 0.000 0.303 187 F C -0.953 174.582 175.800 -0.440 0.000 1.091 187 F CA -1.756 55.965 58.000 -0.465 0.000 1.300 187 F CB -1.199 37.564 39.000 -0.395 0.000 1.071 187 F HN -0.428 7.210 8.300 -1.035 0.041 0.578 188 H N 1.853 120.650 119.070 -0.456 0.000 3.001 188 H HA -0.150 4.147 4.556 -0.431 0.000 0.334 188 H C -1.188 173.658 175.328 -0.805 0.000 1.034 188 H CA 1.470 57.177 56.048 -0.568 0.000 1.420 188 H CB 1.408 30.820 29.762 -0.584 0.000 1.405 188 H HN -0.822 7.220 8.280 -0.333 0.039 0.593 189 R N 2.337 122.184 120.500 -1.089 0.000 2.888 189 R HA 0.469 4.567 4.340 -0.635 -0.138 0.266 189 R C -2.224 173.705 176.300 -0.618 0.000 1.020 189 R CA -2.054 53.628 56.100 -0.697 0.000 0.963 189 R CB 3.645 33.753 30.300 -0.320 0.000 1.197 189 R HN 0.064 7.614 8.270 -1.201 0.000 0.481 190 D N -0.865 119.472 120.400 -0.106 0.000 2.665 190 D HA 0.232 4.811 4.640 -0.103 0.000 0.287 190 D C -2.152 174.120 176.300 -0.048 0.000 1.266 190 D CA -1.388 52.608 54.000 -0.005 0.000 0.830 190 D CB 3.982 44.947 40.800 0.275 0.000 1.356 190 D HN 0.088 8.510 8.370 0.087 0.000 0.437 191 I N -1.507 118.834 120.570 -0.381 0.000 2.683 191 I HA -0.331 3.583 4.170 -0.426 0.000 0.286 191 I C -0.367 175.723 176.117 -0.045 0.000 1.175 191 I CA 2.130 63.156 61.300 -0.456 0.000 1.429 191 I CB -0.211 37.222 38.000 -0.945 0.000 1.371 191 I HN 0.400 8.238 8.210 -0.620 0.000 0.569 192 N N 4.609 123.298 118.700 -0.018 0.000 2.516 192 N HA 0.264 5.028 4.740 0.040 0.000 0.197 192 N C -0.743 174.937 175.510 0.284 0.000 1.064 192 N CA 0.415 53.435 53.050 -0.050 0.000 0.866 192 N CB 3.453 41.612 38.487 -0.547 0.000 1.255 192 N HN 0.104 8.450 8.380 -0.057 0.000 0.447 193 S N -2.217 113.658 115.700 0.292 0.000 2.588 193 S HA 0.497 5.439 4.470 0.501 -0.171 0.269 193 S C -2.237 172.534 174.600 0.285 0.000 1.157 193 S CA -1.020 57.397 58.200 0.361 0.000 0.824 193 S CB 3.003 66.349 63.200 0.244 0.000 1.126 193 S HN -0.489 7.926 8.310 0.174 0.000 0.464 194 N N 0.040 118.890 118.700 0.250 0.000 2.905 194 N HA 0.053 5.105 4.740 0.095 -0.254 0.255 194 N C -1.984 173.551 175.510 0.043 0.000 1.199 194 N CA 0.444 53.578 53.050 0.141 0.000 0.911 194 N CB 2.616 41.217 38.487 0.189 0.000 1.550 194 N HN 0.104 8.618 8.380 0.224 0.000 0.599 195 N N 7.630 126.328 118.700 -0.003 0.000 2.439 195 N HA 0.146 5.006 4.740 -0.086 -0.171 0.243 195 N C -0.070 175.346 175.510 -0.157 0.000 1.088 195 N CA -0.377 52.632 53.050 -0.069 0.000 0.940 195 N CB 0.187 38.657 38.487 -0.029 0.000 1.180 195 N HN 0.208 8.895 8.380 0.018 -0.295 0.505 196 G N 1.861 110.496 108.800 -0.276 0.000 3.126 196 G HA2 0.208 3.938 3.960 -0.382 0.000 0.224 196 G HA3 0.208 3.976 3.960 -0.319 0.000 0.224 196 G C -0.387 174.300 174.900 -0.356 0.000 1.142 196 G CA -0.462 44.431 45.100 -0.344 0.000 0.759 196 G HN -0.098 7.983 8.290 -0.348 0.000 0.550 197 G N -0.642 107.972 108.800 -0.310 0.000 2.352 197 G HA2 -0.232 3.597 3.960 -0.218 0.000 0.204 197 G HA3 -0.232 3.627 3.960 -0.168 0.000 0.204 197 G C -0.473 174.303 174.900 -0.206 0.000 1.004 197 G CA 0.362 45.327 45.100 -0.225 0.000 0.648 197 G HN -0.528 7.733 8.290 -0.300 -0.150 0.491 198 S N -0.357 115.130 115.700 -0.355 0.000 2.527 198 S HA 0.038 4.463 4.470 -0.074 0.000 0.227 198 S C -1.344 173.101 174.600 -0.258 0.000 1.059 198 S CA 0.883 58.934 58.200 -0.249 0.000 0.919 198 S CB 1.076 64.145 63.200 -0.218 0.000 0.805 198 S HN -0.217 7.770 8.310 -0.538 0.000 0.500 199 Y N -7.374 112.736 120.300 -0.317 0.000 2.725 199 Y HA 0.084 4.532 4.550 -0.170 0.000 0.333 199 Y C -2.987 172.806 175.900 -0.177 0.000 1.242 199 Y CA -2.608 55.317 58.100 -0.292 0.000 1.059 199 Y CB 0.801 38.912 38.460 -0.583 0.000 1.306 199 Y HN -1.049 6.654 8.280 -0.961 0.000 0.454 200 N N 1.020 119.785 118.700 0.108 0.000 2.424 200 N HA 0.278 5.158 4.740 -0.001 -0.140 0.271 200 N C -1.368 174.220 175.510 0.130 0.000 0.985 200 N CA -1.744 51.347 53.050 0.067 0.000 0.921 200 N CB 2.820 41.338 38.487 0.052 0.000 1.149 200 N HN 0.051 8.522 8.380 0.151 0.000 0.492 201 A N 6.418 129.298 122.820 0.100 0.000 2.301 201 A HA 0.715 5.199 4.320 -0.097 -0.222 0.298 201 A C -2.089 175.413 177.584 -0.136 0.000 1.185 201 A CA -1.660 50.332 52.037 -0.075 0.000 0.830 201 A CB 1.878 20.787 19.000 -0.152 0.000 1.112 201 A HN 0.538 8.737 8.150 0.081 0.000 0.508 202 L N 4.895 126.005 121.223 -0.187 0.000 2.333 202 L HA 0.518 4.952 4.340 0.157 0.000 0.280 202 L C -2.230 174.645 176.870 0.009 0.000 1.004 202 L CA -1.004 53.849 54.840 0.022 0.000 0.820 202 L CB 3.115 45.225 42.059 0.084 0.000 1.247 202 L HN 0.036 8.137 8.230 -0.215 0.000 0.416 203 Y N 4.341 124.851 120.300 0.351 0.000 2.562 203 Y HA 0.836 5.773 4.550 0.306 -0.203 0.343 203 Y C -1.487 174.752 175.900 0.565 0.000 1.025 203 Y CA -2.245 56.081 58.100 0.378 0.000 1.082 203 Y CB 4.499 43.175 38.460 0.360 0.000 1.264 203 Y HN 0.551 9.189 8.280 0.597 0.000 0.478 204 W N 0.264 121.797 121.300 0.388 0.000 2.499 204 W HA 0.407 5.274 4.660 0.344 0.000 0.320 204 W C -2.352 174.232 176.519 0.109 0.000 1.010 204 W CA -1.658 55.815 57.345 0.213 0.000 1.267 204 W CB 2.819 32.203 29.460 -0.127 0.000 1.316 204 W HN 0.397 8.947 8.180 0.617 0.000 0.431 205 Y N 8.935 129.310 120.300 0.126 0.000 2.627 205 Y HA 0.013 4.494 4.550 -0.115 0.000 0.347 205 Y C -0.163 175.470 175.900 -0.445 0.000 1.099 205 Y CA 0.531 58.581 58.100 -0.083 0.000 1.408 205 Y CB -1.164 37.373 38.460 0.128 0.000 1.247 205 Y HN 0.646 9.318 8.280 0.652 0.000 0.506 206 M N 2.856 121.972 119.600 -0.807 0.000 2.108 206 M HA -0.400 3.228 4.480 -1.420 0.000 0.261 206 M C -0.458 175.672 176.300 -0.284 0.000 1.066 206 M CA 3.514 58.258 55.300 -0.927 0.000 1.107 206 M CB 0.766 32.800 32.600 -0.945 0.000 1.356 206 M HN -0.130 7.688 8.290 -0.787 0.000 0.406 207 N N -7.996 110.566 118.700 -0.230 0.000 2.825 207 N HA 0.151 4.894 4.740 0.004 0.000 0.253 207 N C -2.471 172.980 175.510 -0.097 0.000 1.426 207 N CA -0.537 52.429 53.050 -0.139 0.000 0.851 207 N CB 2.322 40.628 38.487 -0.302 0.000 1.470 207 N HN -0.625 7.575 8.380 -0.300 0.000 0.517 208 S N -2.840 112.859 115.700 -0.002 0.000 2.636 208 S HA 0.150 4.579 4.470 -0.068 0.000 0.266 208 S C -1.176 173.482 174.600 0.096 0.000 1.147 208 S CA -0.911 57.263 58.200 -0.043 0.000 0.815 208 S CB 2.351 65.362 63.200 -0.314 0.000 1.119 208 S HN -0.129 8.232 8.310 0.084 0.000 0.470 209 G N -1.742 107.031 108.800 -0.045 0.000 3.371 209 G HA2 0.204 4.202 3.960 0.064 0.000 0.248 209 G HA3 0.204 4.225 3.960 0.102 0.000 0.248 209 G C -0.069 174.882 174.900 0.085 0.000 1.161 209 G CA -0.401 44.730 45.100 0.052 0.000 0.796 209 G HN 0.452 8.628 8.290 -0.190 0.000 0.539 210 H N 2.509 121.681 119.070 0.170 0.000 2.934 210 H HA -0.117 4.494 4.556 0.091 0.000 0.273 210 H C 0.040 175.427 175.328 0.098 0.000 1.121 210 H CA -1.274 54.850 56.048 0.127 0.000 1.451 210 H CB -0.693 29.171 29.762 0.170 0.000 1.469 210 H HN -0.471 7.649 8.280 -0.147 0.073 0.476 211 V N 2.218 122.219 119.914 0.147 0.000 5.726 211 V HA -0.435 3.718 4.120 0.056 0.000 0.260 211 V C -1.305 174.860 176.094 0.118 0.000 0.657 211 V CA 0.939 63.278 62.300 0.066 0.000 0.584 211 V CB -2.334 29.465 31.823 -0.040 0.000 0.241 211 V HN 0.259 8.531 8.190 0.137 0.000 0.652 212 Q N 0.560 120.429 119.800 0.115 0.000 2.274 212 Q HA 0.055 4.475 4.340 0.134 0.000 0.256 212 Q C -0.026 175.981 176.000 0.012 0.000 0.927 212 Q CA -0.239 55.615 55.803 0.085 0.000 0.939 212 Q CB 1.115 29.884 28.738 0.052 0.000 1.201 212 Q HN -0.230 8.096 8.270 0.094 0.000 0.426 213 T N 2.040 116.594 114.554 -0.001 0.000 3.010 213 T HA 0.157 4.490 4.350 -0.028 0.000 0.257 213 T C 0.575 175.240 174.700 -0.057 0.000 1.020 213 T CA -0.686 61.397 62.100 -0.028 0.000 0.938 213 T CB 0.656 69.512 68.868 -0.021 0.000 1.049 213 T HN 0.149 8.394 8.240 0.009 0.000 0.522 214 E N 1.120 121.279 120.200 -0.069 0.000 2.369 214 E HA 0.238 4.545 4.350 -0.073 0.000 0.270 214 E C -1.034 175.497 176.600 -0.114 0.000 0.909 214 E CA -1.312 55.043 56.400 -0.075 0.000 0.775 214 E CB 3.209 32.879 29.700 -0.051 0.000 1.270 214 E HN -0.666 7.919 8.360 -0.064 -0.264 0.445 215 S N 1.952 117.592 115.700 -0.100 0.000 2.566 215 S HA -0.149 4.156 4.470 -0.276 0.000 0.280 215 S C -0.650 173.935 174.600 -0.025 0.000 1.343 215 S CA 0.487 58.603 58.200 -0.140 0.000 1.036 215 S CB 0.540 63.704 63.200 -0.059 0.000 0.866 215 S HN 0.159 8.429 8.310 -0.067 0.000 0.526 216 Y N 0.198 120.500 120.300 0.004 0.000 2.379 216 Y HA -0.027 4.535 4.550 0.020 0.000 0.337 216 Y C 0.975 176.895 175.900 0.034 0.000 1.238 216 Y CA -0.208 57.903 58.100 0.018 0.000 1.405 216 Y CB 0.761 39.227 38.460 0.010 0.000 1.310 216 Y HN 0.012 8.174 8.280 -0.197 0.000 0.569 217 R N 0.093 120.735 120.500 0.238 0.000 2.514 217 R HA 0.296 4.700 4.340 0.107 0.000 0.301 217 R C -0.754 175.630 176.300 0.139 0.000 0.962 217 R CA -1.328 54.847 56.100 0.125 0.000 0.882 217 R CB 2.217 32.543 30.300 0.044 0.000 1.143 217 R HN 0.364 8.792 8.270 0.263 0.000 0.452 218 M N 0.544 120.189 119.600 0.076 0.000 2.369 218 M HA -0.001 4.530 4.480 0.084 0.000 0.291 218 M C 0.872 177.167 176.300 -0.009 0.000 1.178 218 M CA -1.050 54.275 55.300 0.042 0.000 0.996 218 M CB 0.772 33.368 32.600 -0.006 0.000 1.472 218 M HN 0.137 8.460 8.290 0.056 0.000 0.496 219 G N -2.383 106.355 108.800 -0.103 0.000 2.472 219 G HA2 -0.268 3.726 3.960 0.056 0.000 0.205 219 G HA3 -0.268 3.644 3.960 -0.080 0.000 0.205 219 G C -2.248 172.724 174.900 0.120 0.000 1.270 219 G CA -0.662 44.419 45.100 -0.033 0.000 0.974 219 G HN 0.167 8.321 8.290 -0.227 0.000 0.542 220 L N 2.596 124.005 121.223 0.310 0.000 2.281 220 L HA 0.176 4.968 4.340 0.525 -0.136 0.285 220 L C -0.498 176.482 176.870 0.183 0.000 1.074 220 L CA -0.763 54.312 54.840 0.391 0.000 0.817 220 L CB 1.122 43.414 42.059 0.390 0.000 1.168 220 L HN 0.243 8.643 8.230 0.284 0.000 0.434 221 H N 6.598 125.785 119.070 0.196 0.000 2.488 221 H HA 0.171 4.796 4.556 0.115 0.000 0.322 221 H C 0.228 175.761 175.328 0.342 0.000 1.078 221 H CA -0.075 56.065 56.048 0.154 0.000 1.260 221 H CB 1.820 31.569 29.762 -0.022 0.000 1.425 221 H HN 0.592 9.193 8.280 0.534 0.000 0.471 222 G N 5.583 114.660 108.800 0.463 0.000 2.548 222 G HA2 -0.337 3.974 3.960 0.585 0.000 0.208 222 G HA3 -0.337 3.835 3.960 0.354 0.000 0.208 222 G C -3.257 171.701 174.900 0.096 0.000 1.308 222 G CA -0.852 44.492 45.100 0.408 0.000 0.924 222 G HN -0.115 8.405 8.290 0.384 0.000 0.540 223 P HA 0.243 4.757 4.420 -0.156 -0.187 0.270 223 P C -1.749 175.525 177.300 -0.044 0.000 1.223 223 P CA 0.223 63.178 63.100 -0.242 0.000 0.785 223 P CB 0.432 31.636 31.700 -0.826 0.000 0.923 224 Y N -6.146 114.036 120.300 -0.197 0.000 2.553 224 Y HA 0.479 4.772 4.550 -0.428 0.000 0.347 224 Y C -1.871 173.945 175.900 -0.141 0.000 1.019 224 Y CA -2.467 55.442 58.100 -0.319 0.000 1.032 224 Y CB 3.136 41.316 38.460 -0.468 0.000 1.284 224 Y HN 0.271 8.460 8.280 -0.151 0.000 0.466 225 S N 0.594 116.253 115.700 -0.067 0.000 2.557 225 S HA 0.457 5.001 4.470 -0.125 -0.148 0.291 225 S C -1.776 172.763 174.600 -0.102 0.000 1.116 225 S CA -1.006 57.150 58.200 -0.073 0.000 0.992 225 S CB 2.867 66.107 63.200 0.066 0.000 1.028 225 S HN 0.195 8.452 8.310 -0.089 0.000 0.484 226 M N 7.203 126.717 119.600 -0.145 0.000 2.066 226 M HA 0.598 5.202 4.480 -0.150 -0.214 0.340 226 M C -2.243 173.976 176.300 -0.135 0.000 1.053 226 M CA -0.911 54.301 55.300 -0.148 0.000 0.983 226 M CB 2.737 35.261 32.600 -0.128 0.000 1.520 226 M HN 0.397 8.576 8.290 -0.185 0.000 0.428 227 Y N 7.517 127.647 120.300 -0.283 0.000 2.330 227 Y HA 0.343 5.012 4.550 -0.026 -0.135 0.336 227 Y C -2.171 173.516 175.900 -0.355 0.000 1.036 227 Y CA -1.712 56.286 58.100 -0.169 0.000 1.125 227 Y CB 3.506 41.897 38.460 -0.115 0.000 1.194 227 Y HN 0.661 8.892 8.280 -0.083 0.000 0.469 228 F N 7.146 127.051 119.950 -0.075 0.000 2.402 228 F HA 0.632 5.242 4.527 -0.132 -0.163 0.355 228 F C -0.515 175.232 175.800 -0.087 0.000 1.123 228 F CA -1.258 56.635 58.000 -0.179 0.000 1.021 228 F CB 2.103 40.876 39.000 -0.378 0.000 1.160 228 F HN 0.093 8.400 8.300 0.013 0.000 0.451 229 S N 3.247 119.001 115.700 0.090 0.000 2.634 229 S HA 0.497 5.164 4.470 0.328 0.000 0.296 229 S C -0.174 174.571 174.600 0.242 0.000 1.104 229 S CA -1.672 56.660 58.200 0.220 0.000 0.920 229 S CB 3.050 66.368 63.200 0.198 0.000 1.111 229 S HN 0.670 8.993 8.310 0.022 0.000 0.493 230 R N 0.877 121.527 120.500 0.249 0.000 2.060 230 R HA -0.059 4.491 4.340 0.116 -0.140 0.218 230 R C 0.895 177.193 176.300 -0.004 0.000 1.200 230 R CA 2.562 58.705 56.100 0.071 0.000 0.935 230 R CB -0.050 30.152 30.300 -0.163 0.000 0.814 230 R HN 0.448 8.846 8.270 0.213 0.000 0.460 231 S N -4.275 111.411 115.700 -0.024 0.000 2.666 231 S HA 0.067 4.530 4.470 -0.012 0.000 0.239 231 S C 0.245 174.838 174.600 -0.011 0.000 1.031 231 S CA 0.006 58.193 58.200 -0.021 0.000 1.015 231 S CB 0.744 63.920 63.200 -0.040 0.000 0.981 231 S HN -0.275 8.016 8.310 -0.033 0.000 0.547 232 G N 1.047 109.848 108.800 0.002 0.000 2.634 232 G HA2 -0.003 3.955 3.960 -0.003 0.000 0.255 232 G HA3 -0.003 3.945 3.960 -0.020 0.000 0.255 232 G C -1.273 173.601 174.900 -0.044 0.000 1.205 232 G CA -0.472 44.620 45.100 -0.013 0.000 0.884 232 G HN -0.291 8.010 8.290 0.019 0.000 0.549 233 T N 1.614 116.119 114.554 -0.080 0.000 2.815 233 T HA 0.301 4.571 4.350 -0.133 0.000 0.289 233 T C -1.930 172.648 174.700 -0.205 0.000 1.000 233 T CA -2.418 59.608 62.100 -0.125 0.000 0.958 233 T CB 1.928 70.746 68.868 -0.084 0.000 0.944 233 T HN -0.037 8.160 8.240 -0.072 0.000 0.442 234 P HA 0.212 4.331 4.420 -0.503 0.000 0.275 234 P C -0.658 176.471 177.300 -0.284 0.000 1.228 234 P CA -0.707 62.069 63.100 -0.541 0.000 0.786 234 P CB 0.923 31.896 31.700 -1.211 0.000 0.927 235 S N 0.237 115.820 115.700 -0.194 0.000 2.573 235 S HA -0.074 4.351 4.470 -0.075 0.000 0.277 235 S C 0.424 174.980 174.600 -0.073 0.000 1.346 235 S CA 0.318 58.463 58.200 -0.091 0.000 1.034 235 S CB 0.697 63.874 63.200 -0.038 0.000 0.879 235 S HN 0.131 8.327 8.310 -0.190 0.000 0.528 236 T N 0.308 114.844 114.554 -0.031 0.000 3.148 236 T HA -0.083 4.254 4.350 -0.021 0.000 0.253 236 T C 0.104 174.817 174.700 0.021 0.000 1.134 236 T CA 0.453 62.548 62.100 -0.007 0.000 1.051 236 T CB -0.263 68.612 68.868 0.011 0.000 0.959 236 T HN -0.010 8.217 8.240 -0.021 0.000 0.525 237 S N 2.134 117.851 115.700 0.028 0.000 3.036 237 S HA 0.066 4.562 4.470 0.043 0.000 0.301 237 S C -0.650 173.993 174.600 0.072 0.000 1.205 237 S CA -0.259 57.968 58.200 0.045 0.000 0.999 237 S CB -0.371 62.854 63.200 0.043 0.000 1.337 237 S HN -0.502 7.760 8.310 0.018 0.059 0.515 238 I N 6.753 127.373 120.570 0.083 0.000 2.439 238 I HA 0.024 4.296 4.170 0.170 0.000 0.283 238 I C -1.260 174.918 176.117 0.102 0.000 1.023 238 I CA -0.821 60.565 61.300 0.144 0.000 1.100 238 I CB 1.552 39.677 38.000 0.209 0.000 1.238 238 I HN -0.536 7.711 8.210 0.062 0.000 0.445 239 D N 8.279 128.747 120.400 0.113 0.000 2.450 239 D HA -0.089 4.551 4.640 0.001 0.000 0.247 239 D C -0.246 176.023 176.300 -0.052 0.000 1.162 239 D CA 0.930 54.961 54.000 0.051 0.000 0.879 239 D CB 0.754 41.620 40.800 0.110 0.000 1.163 239 D HN 0.191 8.646 8.370 0.143 0.000 0.472 240 T N 1.817 116.188 114.554 -0.304 0.000 3.200 240 T HA 0.241 3.792 4.350 -1.331 0.000 0.284 240 T C 1.104 175.300 174.700 -0.841 0.000 1.009 240 T CA -1.304 60.306 62.100 -0.816 0.000 0.907 240 T CB 0.558 69.025 68.868 -0.668 0.000 1.120 240 T HN -0.089 8.013 8.240 -0.231 0.000 0.534 241 S N 4.135 119.566 115.700 -0.448 0.000 2.447 241 S HA -0.141 4.266 4.470 -0.104 0.000 0.233 241 S C 1.284 175.743 174.600 -0.236 0.000 1.006 241 S CA 2.319 60.397 58.200 -0.203 0.000 0.957 241 S CB -0.211 62.956 63.200 -0.055 0.000 0.773 241 S HN -0.285 8.160 8.310 -0.301 -0.315 0.507 242 F N -0.537 119.323 119.950 -0.151 0.000 2.494 242 F HA 0.002 4.340 4.527 -0.315 0.000 0.298 242 F C 1.185 176.726 175.800 -0.432 0.000 1.106 242 F CA -0.281 57.502 58.000 -0.362 0.000 1.452 242 F CB -1.757 36.827 39.000 -0.693 0.000 1.085 242 F HN -0.493 7.421 8.300 -0.589 0.032 0.569 243 F N 1.362 120.816 119.950 -0.826 0.000 2.333 243 F HA -0.448 3.692 4.527 -0.646 0.000 0.300 243 F C 1.591 176.855 175.800 -0.894 0.000 1.083 243 F CA 3.183 60.636 58.000 -0.911 0.000 1.395 243 F CB -0.541 37.663 39.000 -1.327 0.000 1.056 243 F HN -0.455 7.459 8.300 -0.568 0.045 0.529 244 A N -1.909 120.656 122.820 -0.425 0.000 2.070 244 A HA -0.258 4.086 4.320 0.040 0.000 0.220 244 A C 0.440 177.964 177.584 -0.100 0.000 1.159 244 A CA 2.335 54.322 52.037 -0.083 0.000 0.656 244 A CB -0.571 18.494 19.000 0.108 0.000 0.800 244 A HN -0.465 7.462 8.150 -0.310 0.037 0.453 245 D N -3.950 116.348 120.400 -0.169 0.000 2.368 245 D HA 0.201 4.790 4.640 -0.087 0.000 0.218 245 D C -0.401 175.800 176.300 -0.165 0.000 1.112 245 D CA 0.419 54.340 54.000 -0.133 0.000 0.834 245 D CB 0.568 41.297 40.800 -0.118 0.000 0.953 245 D HN -0.528 7.667 8.370 -0.222 0.043 0.505 246 L N -2.449 118.633 121.223 -0.236 0.000 2.959 246 L HA 0.316 4.545 4.340 -0.184 0.000 0.259 246 L C -1.401 175.344 176.870 -0.209 0.000 1.185 246 L CA -1.007 53.686 54.840 -0.245 0.000 0.998 246 L CB 0.579 42.409 42.059 -0.381 0.000 1.337 246 L HN -0.893 7.112 8.230 -0.277 0.058 0.555 247 D N -2.693 117.615 120.400 -0.155 0.000 2.697 247 D HA -0.363 4.233 4.640 -0.074 0.000 0.238 247 D C -1.313 174.897 176.300 -0.149 0.000 1.152 247 D CA 1.191 55.129 54.000 -0.104 0.000 0.666 247 D CB -1.422 39.344 40.800 -0.056 0.000 1.037 247 D HN 0.168 8.455 8.370 -0.137 0.000 0.423 248 I N -0.594 119.829 120.570 -0.245 0.000 2.396 248 I HA -0.081 3.685 4.170 -0.674 0.000 0.289 248 I C -0.119 175.896 176.117 -0.170 0.000 1.056 248 I CA -1.673 59.375 61.300 -0.420 0.000 1.365 248 I CB -1.506 36.217 38.000 -0.462 0.000 1.407 248 I HN 0.017 8.092 8.210 -0.225 0.000 0.509 249 K N 10.038 130.357 120.400 -0.135 0.000 2.511 249 K HA -0.311 3.841 4.320 -0.279 0.000 0.280 249 K C 0.435 176.841 176.600 -0.324 0.000 1.008 249 K CA 1.514 57.583 56.287 -0.364 0.000 1.050 249 K CB 0.099 32.140 32.500 -0.764 0.000 0.889 249 K HN -0.045 8.214 8.250 0.015 0.000 0.484 250 G N 1.179 109.885 108.800 -0.156 0.000 2.184 250 G HA2 -0.364 3.826 3.960 0.383 0.000 0.264 250 G HA3 -0.364 3.712 3.960 0.194 0.000 0.264 250 G C -1.178 173.821 174.900 0.164 0.000 0.975 250 G CA 0.345 45.546 45.100 0.168 0.000 0.642 250 G HN 0.237 8.436 8.290 -0.151 0.000 0.536 251 Y N 1.937 122.242 120.300 0.008 0.000 2.393 251 Y HA -0.102 4.459 4.550 0.018 0.000 0.338 251 Y C -1.027 174.870 175.900 -0.004 0.000 1.029 251 Y CA 0.939 59.040 58.100 0.002 0.000 1.239 251 Y CB 0.577 39.026 38.460 -0.019 0.000 1.170 251 Y HN -0.603 7.735 8.280 0.186 0.054 0.515 252 V N 9.687 129.263 119.914 -0.564 0.000 2.357 252 V HA 0.141 4.121 4.120 -0.232 0.000 0.284 252 V C -1.314 174.370 176.094 -0.684 0.000 1.018 252 V CA -1.213 60.840 62.300 -0.413 0.000 0.841 252 V CB 2.191 33.884 31.823 -0.216 0.000 0.991 252 V HN 0.226 8.009 8.190 -0.677 0.000 0.437 253 A N 7.173 129.773 122.820 -0.367 0.000 2.272 253 A HA 0.196 4.354 4.320 -0.271 0.000 0.275 253 A C 0.783 178.277 177.584 -0.150 0.000 1.096 253 A CA -0.789 51.136 52.037 -0.186 0.000 0.822 253 A CB 0.786 19.833 19.000 0.078 0.000 1.088 253 A HN 0.284 8.322 8.150 -0.186 0.000 0.495 254 A N -0.126 122.643 122.820 -0.085 0.000 1.940 254 A HA -0.381 3.875 4.320 -0.106 0.000 0.221 254 A C 1.872 179.411 177.584 -0.074 0.000 1.190 254 A CA 3.113 55.102 52.037 -0.081 0.000 0.647 254 A CB -0.539 18.433 19.000 -0.047 0.000 0.821 254 A HN 0.728 8.853 8.150 -0.041 0.000 0.457 255 S N -4.540 111.131 115.700 -0.049 0.000 2.474 255 S HA -0.224 4.220 4.470 -0.043 0.000 0.235 255 S C 1.042 175.611 174.600 -0.051 0.000 0.997 255 S CA 1.170 59.345 58.200 -0.042 0.000 0.949 255 S CB -0.107 63.079 63.200 -0.023 0.000 0.766 255 S HN -0.085 8.194 8.310 -0.034 0.011 0.517 256 G N -0.062 108.699 108.800 -0.065 0.000 3.284 256 G HA2 0.193 4.114 3.960 -0.066 0.000 0.236 256 G HA3 0.193 4.123 3.960 -0.050 0.000 0.236 256 G C -1.298 173.554 174.900 -0.081 0.000 1.158 256 G CA -0.484 44.577 45.100 -0.065 0.000 0.774 256 G HN -0.460 7.633 8.290 -0.076 0.151 0.545 257 R N -1.326 119.113 120.500 -0.101 0.000 2.854 257 R HA 0.757 5.134 4.340 -0.124 -0.112 0.271 257 R C -0.914 175.305 176.300 -0.136 0.000 0.996 257 R CA -1.425 54.596 56.100 -0.132 0.000 0.961 257 R CB 4.150 34.347 30.300 -0.172 0.000 1.182 257 R HN -0.758 7.385 8.270 -0.098 0.068 0.479 258 G N -0.860 107.837 108.800 -0.172 0.000 3.013 258 G HA2 0.832 4.905 3.960 -0.153 0.000 0.278 258 G HA3 0.832 4.731 3.960 -0.146 -0.027 0.278 258 G C -2.585 172.156 174.900 -0.264 0.000 1.353 258 G CA -1.621 43.374 45.100 -0.175 0.000 1.043 258 G HN 0.175 8.348 8.290 -0.194 0.000 0.523 259 K N -3.071 117.179 120.400 -0.249 0.000 2.466 259 K HA 0.760 4.810 4.320 -0.449 0.000 0.260 259 K C -1.622 174.798 176.600 -0.300 0.000 1.011 259 K CA -1.543 54.550 56.287 -0.325 0.000 0.871 259 K CB 5.398 37.757 32.500 -0.236 0.000 1.404 259 K HN 0.091 8.225 8.250 -0.195 0.000 0.450 260 V N -0.733 118.951 119.914 -0.384 0.000 2.495 260 V HA 0.670 4.925 4.120 -0.103 -0.196 0.298 260 V C -1.700 174.413 176.094 0.032 0.000 1.031 260 V CA -1.605 60.590 62.300 -0.175 0.000 0.871 260 V CB 2.297 33.988 31.823 -0.219 0.000 0.988 260 V HN 0.230 8.097 8.190 -0.539 0.000 0.432 261 A N 5.333 128.167 122.820 0.023 0.000 2.475 261 A HA 0.938 5.286 4.320 -0.175 -0.133 0.301 261 A C -1.812 175.547 177.584 -0.376 0.000 1.059 261 A CA -2.004 49.935 52.037 -0.164 0.000 0.710 261 A CB 3.987 22.897 19.000 -0.150 0.000 1.288 261 A HN 0.404 8.555 8.150 0.001 0.000 0.408 262 G N -1.247 106.956 108.800 -0.996 0.000 2.356 262 G HA2 0.327 4.197 3.960 -0.495 0.000 0.281 262 G HA3 0.327 4.046 3.960 -0.401 0.000 0.281 262 G C -2.972 171.388 174.900 -0.901 0.000 1.246 262 G CA 0.945 45.603 45.100 -0.735 0.000 0.889 262 G HN -0.044 7.395 8.290 -1.419 0.000 0.486 263 T N 2.054 116.430 114.554 -0.298 0.000 2.881 263 T HA 0.494 5.021 4.350 -0.008 -0.182 0.290 263 T C -1.754 173.049 174.700 0.172 0.000 1.000 263 T CA -0.707 61.382 62.100 -0.018 0.000 0.978 263 T CB 2.846 71.716 68.868 0.004 0.000 0.997 263 T HN -0.077 8.331 8.240 -0.138 -0.250 0.443 264 A N 6.438 129.390 122.820 0.219 0.000 2.306 264 A HA 1.085 5.465 4.320 -0.326 -0.256 0.314 264 A C -1.453 176.048 177.584 -0.139 0.000 1.164 264 A CA -2.347 49.537 52.037 -0.255 0.000 0.822 264 A CB 2.183 20.698 19.000 -0.808 0.000 1.130 264 A HN 0.575 8.840 8.150 0.357 0.099 0.496 265 S N 1.516 117.082 115.700 -0.224 0.000 2.570 265 S HA 0.292 4.825 4.470 0.105 0.000 0.270 265 S C -0.176 174.451 174.600 0.046 0.000 1.149 265 S CA -1.023 57.188 58.200 0.018 0.000 0.837 265 S CB 1.939 65.200 63.200 0.101 0.000 1.124 265 S HN -0.086 8.038 8.310 -0.310 0.000 0.465 266 G N 0.404 109.240 108.800 0.060 0.000 2.278 266 G HA2 -0.352 3.700 3.960 0.031 0.000 0.210 266 G HA3 -0.352 3.654 3.960 0.077 0.000 0.210 266 G C -1.113 173.773 174.900 -0.023 0.000 1.000 266 G CA -0.071 45.055 45.100 0.043 0.000 0.635 266 G HN 0.540 8.915 8.290 0.142 0.000 0.495 267 A N 1.044 123.733 122.820 -0.218 0.000 2.275 267 A HA -0.029 4.169 4.320 -0.204 0.000 0.282 267 A C -1.662 176.044 177.584 0.203 0.000 1.275 267 A CA -0.609 51.274 52.037 -0.256 0.000 0.842 267 A CB 1.309 19.796 19.000 -0.854 0.000 1.280 267 A HN -0.661 7.195 8.150 -0.400 0.054 0.508 268 D N -1.902 118.654 120.400 0.261 0.000 2.338 268 D HA -0.000 4.791 4.640 0.253 0.000 0.255 268 D C 0.693 177.322 176.300 0.548 0.000 1.237 268 D CA 0.073 54.271 54.000 0.330 0.000 0.883 268 D CB 0.320 41.240 40.800 0.201 0.000 1.087 268 D HN -0.305 8.449 8.370 0.145 -0.298 0.485 269 S N 5.735 121.669 115.700 0.391 0.000 2.555 269 S HA -0.092 4.411 4.470 0.056 0.000 0.230 269 S C 0.511 175.115 174.600 0.006 0.000 0.978 269 S CA 1.424 59.718 58.200 0.158 0.000 0.934 269 S CB -0.228 63.031 63.200 0.098 0.000 0.766 269 S HN 0.519 9.017 8.310 0.313 0.000 0.533 270 S N 0.020 115.768 115.700 0.079 0.000 2.603 270 S HA 0.010 4.479 4.470 -0.003 0.000 0.220 270 S C 0.221 174.844 174.600 0.039 0.000 0.967 270 S CA 1.118 59.338 58.200 0.033 0.000 0.920 270 S CB 0.698 63.922 63.200 0.041 0.000 0.773 270 S HN -0.345 8.286 8.310 0.130 -0.243 0.529 271 M N 2.125 121.784 119.600 0.099 0.000 2.644 271 M HA 0.122 4.663 4.480 0.101 0.000 0.316 271 M C -1.041 175.307 176.300 0.080 0.000 1.200 271 M CA -0.997 54.390 55.300 0.145 0.000 0.944 271 M CB 1.899 34.673 32.600 0.289 0.000 1.691 271 M HN -0.625 7.693 8.290 0.157 0.065 0.471 272 D N 1.258 121.739 120.400 0.135 0.000 2.372 272 D HA 0.032 4.688 4.640 0.027 0.000 0.243 272 D C -0.931 175.670 176.300 0.502 0.000 1.121 272 D CA 0.635 54.744 54.000 0.180 0.000 0.898 272 D CB 0.896 41.830 40.800 0.223 0.000 1.202 272 D HN 0.037 8.488 8.370 0.135 0.000 0.428 273 W N -1.131 120.376 121.300 0.344 0.000 2.606 273 W HA 0.655 5.748 4.660 0.392 -0.197 0.332 273 W C -0.331 176.454 176.519 0.443 0.000 1.052 273 W CA -2.664 54.925 57.345 0.408 0.000 1.223 273 W CB 2.249 31.982 29.460 0.455 0.000 1.383 273 W HN 0.374 8.814 8.180 0.434 0.000 0.524 274 V N 1.855 122.155 119.914 0.643 0.000 2.735 274 V HA 0.490 4.963 4.120 0.330 -0.155 0.310 274 V C -1.519 174.764 176.094 0.315 0.000 1.061 274 V CA -1.189 61.361 62.300 0.417 0.000 0.913 274 V CB 3.379 35.411 31.823 0.348 0.000 1.005 274 V HN 0.120 8.716 8.190 0.677 0.000 0.428 275 V N 5.182 125.106 119.914 0.018 0.000 2.513 275 V HA 0.736 4.893 4.120 -0.305 -0.220 0.299 275 V C -1.923 173.926 176.094 -0.409 0.000 1.035 275 V CA -1.879 60.177 62.300 -0.407 0.000 0.889 275 V CB 2.522 33.731 31.823 -1.023 0.000 0.988 275 V HN 0.563 8.768 8.190 0.025 0.000 0.440 276 H N 5.775 124.500 119.070 -0.576 0.000 2.667 276 H HA 0.581 5.364 4.556 0.102 -0.166 0.353 276 H C -1.626 173.537 175.328 -0.273 0.000 1.072 276 H CA -2.477 53.492 56.048 -0.131 0.000 1.214 276 H CB 3.647 33.557 29.762 0.248 0.000 1.600 276 H HN 0.332 8.306 8.280 -0.510 0.000 0.527 277 W N 5.142 126.643 121.300 0.335 0.000 2.632 277 W HA 0.958 5.875 4.660 0.016 -0.248 0.328 277 W C -1.198 175.525 176.519 0.340 0.000 1.044 277 W CA -2.109 55.323 57.345 0.146 0.000 1.225 277 W CB 3.330 32.775 29.460 -0.024 0.000 1.396 277 W HN 0.631 9.311 8.180 0.832 0.000 0.499 278 Y N -3.219 117.326 120.300 0.408 0.000 2.581 278 Y HA 0.887 5.931 4.550 0.518 -0.183 0.337 278 Y C -2.795 173.290 175.900 0.308 0.000 1.108 278 Y CA -1.627 56.707 58.100 0.391 0.000 1.033 278 Y CB 2.420 40.985 38.460 0.175 0.000 1.318 278 Y HN 0.565 8.872 8.280 0.046 0.000 0.459 279 N N -0.065 118.822 118.700 0.312 0.000 3.344 279 N HA 0.247 5.031 4.740 0.072 0.000 0.296 279 N C 0.133 175.719 175.510 0.128 0.000 1.571 279 N CA -1.649 51.438 53.050 0.061 0.000 0.844 279 N CB 1.803 40.125 38.487 -0.275 0.000 1.718 279 N HN 0.031 8.651 8.380 0.400 0.000 0.589 280 D N -0.665 119.765 120.400 0.049 0.000 2.310 280 D HA -0.128 4.566 4.640 0.090 0.000 0.212 280 D C 0.644 176.974 176.300 0.050 0.000 0.965 280 D CA 3.574 57.610 54.000 0.059 0.000 0.879 280 D CB -0.685 40.133 40.800 0.030 0.000 0.921 280 D HN 0.320 8.689 8.370 -0.000 0.000 0.510 281 A N -3.028 119.811 122.820 0.031 0.000 1.984 281 A HA 0.018 4.357 4.320 0.031 0.000 0.214 281 A C -1.323 176.292 177.584 0.052 0.000 1.173 281 A CA 0.924 52.983 52.037 0.037 0.000 0.673 281 A CB 1.032 20.047 19.000 0.024 0.000 0.830 281 A HN -0.488 7.860 8.150 0.004 -0.196 0.453 282 A N -5.523 117.361 122.820 0.106 0.000 2.608 282 A HA 0.663 5.117 4.320 -0.068 -0.175 0.292 282 A C -2.813 174.814 177.584 0.071 0.000 1.066 282 A CA -0.599 51.458 52.037 0.033 0.000 0.676 282 A CB 3.003 22.059 19.000 0.094 0.000 1.277 282 A HN -0.610 7.819 8.150 0.144 -0.193 0.413 283 Q N -1.325 118.316 119.800 -0.265 0.000 2.372 283 Q HA 1.081 5.740 4.340 0.232 -0.180 0.273 283 Q C -1.687 173.923 176.000 -0.651 0.000 1.078 283 Q CA -1.825 53.930 55.803 -0.081 0.000 0.806 283 Q CB 3.415 32.295 28.738 0.237 0.000 1.332 283 Q HN 0.143 8.142 8.270 -0.452 0.000 0.435 284 Y N -0.661 119.749 120.300 0.183 0.000 2.588 284 Y HA 0.217 4.473 4.550 -0.489 0.000 0.343 284 Y C -1.990 174.121 175.900 0.351 0.000 1.065 284 Y CA -0.385 57.685 58.100 -0.051 0.000 1.038 284 Y CB 5.003 43.446 38.460 -0.028 0.000 1.297 284 Y HN 0.534 9.101 8.280 0.478 0.000 0.467 285 W N -2.580 119.020 121.300 0.500 0.000 3.059 285 W HA 0.938 6.014 4.660 0.398 -0.177 0.329 285 W C -2.136 174.558 176.519 0.293 0.000 1.246 285 W CA -1.597 55.945 57.345 0.327 0.000 1.190 285 W CB 2.534 31.986 29.460 -0.015 0.000 1.423 285 W HN 0.189 8.292 8.180 -0.128 0.000 0.571 286 T N -1.403 113.461 114.554 0.516 0.000 2.942 286 T HA 0.226 4.815 4.350 0.400 0.000 0.327 286 T C -1.904 172.946 174.700 0.251 0.000 1.360 286 T CA -1.097 61.240 62.100 0.396 0.000 1.055 286 T CB 2.536 71.675 68.868 0.452 0.000 1.261 286 T HN 0.172 8.654 8.240 0.403 0.000 0.485 287 Y N 4.445 124.940 120.300 0.324 0.000 2.457 287 Y HA 0.362 5.255 4.550 0.303 -0.160 0.341 287 Y C 0.964 177.047 175.900 0.306 0.000 1.240 287 Y CA 0.839 59.113 58.100 0.290 0.000 1.437 287 Y CB 0.751 39.352 38.460 0.235 0.000 1.328 287 Y HN 0.356 8.839 8.280 0.338 0.000 0.588 288 T N -0.961 113.902 114.554 0.515 0.000 2.902 288 T HA 0.203 4.931 4.350 0.466 -0.099 0.280 288 T C 0.369 175.253 174.700 0.307 0.000 0.992 288 T CA -1.368 61.002 62.100 0.450 0.000 1.015 288 T CB 2.127 71.314 68.868 0.532 0.000 1.044 288 T HN -0.059 8.516 8.240 0.559 0.000 0.520 289 S N 0.164 116.005 115.700 0.234 0.000 2.617 289 S HA 0.159 4.683 4.470 0.090 0.000 0.259 289 S C 2.127 176.739 174.600 0.020 0.000 1.301 289 S CA -0.506 57.761 58.200 0.112 0.000 0.984 289 S CB 1.351 64.609 63.200 0.096 0.000 0.954 289 S HN 0.071 8.537 8.310 0.260 0.000 0.572 290 S N 0.794 116.461 115.700 -0.055 0.000 2.419 290 S HA -0.137 4.159 4.470 -0.289 0.000 0.233 290 S C 0.906 175.424 174.600 -0.136 0.000 1.016 290 S CA 2.404 60.505 58.200 -0.166 0.000 0.974 290 S CB -0.596 62.531 63.200 -0.122 0.000 0.786 290 S HN 0.450 8.739 8.310 -0.034 0.000 0.492 291 S N -0.037 115.655 115.700 -0.012 0.000 2.603 291 S HA 0.011 4.507 4.470 0.043 0.000 0.220 291 S C 1.158 175.854 174.600 0.161 0.000 0.967 291 S CA 0.097 58.329 58.200 0.054 0.000 0.920 291 S CB 0.336 63.567 63.200 0.053 0.000 0.773 291 S HN -0.676 7.618 8.310 0.008 0.021 0.529 292 G N 1.458 110.391 108.800 0.222 0.000 2.195 292 G HA2 -0.422 4.021 3.960 0.505 0.000 0.246 292 G HA3 -0.422 3.928 3.960 0.649 0.000 0.246 292 G C -0.322 174.789 174.900 0.352 0.000 0.984 292 G CA -0.006 45.364 45.100 0.450 0.000 0.633 292 G HN -0.189 8.001 8.290 0.137 0.182 0.525 293 S N 3.695 119.519 115.700 0.207 0.000 2.560 293 S HA 0.285 4.914 4.470 -0.006 -0.163 0.284 293 S C -0.891 173.853 174.600 0.241 0.000 1.327 293 S CA 1.734 59.997 58.200 0.105 0.000 1.055 293 S CB 0.753 63.980 63.200 0.046 0.000 0.868 293 S HN -0.875 7.474 8.310 0.165 0.061 0.506 294 F N 0.120 120.158 119.950 0.147 0.000 2.654 294 F HA 0.463 5.105 4.527 0.192 0.000 0.308 294 F C -2.220 173.679 175.800 0.165 0.000 1.108 294 F CA -1.238 56.877 58.000 0.191 0.000 0.957 294 F CB 2.959 42.112 39.000 0.256 0.000 1.309 294 F HN 0.313 8.359 8.300 -0.425 0.000 0.446 295 T N 2.840 117.625 114.554 0.385 0.000 2.928 295 T HA 0.497 5.108 4.350 0.202 -0.141 0.296 295 T C -0.394 174.472 174.700 0.276 0.000 1.000 295 T CA -0.871 61.373 62.100 0.240 0.000 0.989 295 T CB 2.787 71.702 68.868 0.078 0.000 1.005 295 T HN 0.091 8.576 8.240 0.409 0.000 0.442 296 S N 7.020 122.779 115.700 0.098 0.000 2.584 296 S HA 0.079 4.578 4.470 0.047 0.000 0.270 296 S C -1.547 172.950 174.600 -0.173 0.000 1.346 296 S CA -1.572 56.502 58.200 -0.210 0.000 1.018 296 S CB -0.835 61.721 63.200 -1.074 0.000 0.899 296 S HN 0.519 8.851 8.310 0.036 0.000 0.542 297 P HA -0.085 4.277 4.420 -0.097 0.000 0.272 297 P C -1.432 175.660 177.300 -0.347 0.000 1.248 297 P CA -0.272 62.725 63.100 -0.172 0.000 0.799 297 P CB 0.576 32.222 31.700 -0.090 0.000 0.997 298 A N -1.659 120.998 122.820 -0.271 0.000 2.491 298 A HA -0.115 4.134 4.320 -0.331 -0.128 0.261 298 A C -0.265 177.023 177.584 -0.492 0.000 1.101 298 A CA 0.756 52.602 52.037 -0.319 0.000 0.772 298 A CB 0.465 19.346 19.000 -0.199 0.000 1.043 298 A HN 0.175 8.212 8.150 -0.187 0.000 0.501 299 M N 5.062 124.279 119.600 -0.638 0.000 2.404 299 M HA 0.243 3.920 4.480 -1.338 0.000 0.338 299 M C -0.189 175.905 176.300 -0.344 0.000 1.150 299 M CA -1.150 53.606 55.300 -0.907 0.000 1.016 299 M CB 3.404 35.295 32.600 -1.181 0.000 1.672 299 M HN 0.672 8.640 8.290 -0.536 0.000 0.448 300 K N 3.667 124.026 120.400 -0.069 0.000 2.485 300 K HA 0.018 4.339 4.320 0.002 0.000 0.277 300 K C -1.622 175.050 176.600 0.120 0.000 0.990 300 K CA -0.178 56.152 56.287 0.073 0.000 0.994 300 K CB -0.833 31.781 32.500 0.190 0.000 0.906 300 K HN -0.209 8.089 8.250 0.080 0.000 0.488 301 P HA -0.388 4.187 4.420 0.062 -0.117 0.268 301 P C -0.493 176.870 177.300 0.104 0.000 1.208 301 P CA 0.029 63.170 63.100 0.068 0.000 0.777 301 P CB 0.375 32.084 31.700 0.015 0.000 0.875 302 G N 0.654 109.512 108.800 0.096 0.000 2.362 302 G HA2 -0.130 3.733 3.960 -0.162 0.000 0.288 302 G HA3 -0.130 3.797 3.960 -0.054 0.000 0.288 302 G C -2.987 171.878 174.900 -0.058 0.000 1.305 302 G CA -0.095 44.974 45.100 -0.052 0.000 0.910 302 G HN -0.251 8.108 8.290 0.115 0.000 0.518 303 T N 2.165 116.590 114.554 -0.216 0.000 2.794 303 T HA 0.688 5.228 4.350 0.029 -0.172 0.280 303 T C -1.012 173.499 174.700 -0.316 0.000 0.987 303 T CA 0.112 62.137 62.100 -0.126 0.000 0.993 303 T CB 1.417 70.236 68.868 -0.082 0.000 0.939 303 T HN 0.024 8.109 8.240 -0.258 0.000 0.449 304 Y N 5.646 125.947 120.300 0.002 0.000 2.499 304 Y HA 0.090 4.720 4.550 -0.057 -0.114 0.347 304 Y C -0.515 175.322 175.900 -0.107 0.000 0.987 304 Y CA -1.261 56.830 58.100 -0.015 0.000 1.044 304 Y CB 3.946 42.491 38.460 0.143 0.000 1.245 304 Y HN 0.798 9.214 8.280 0.225 0.000 0.461 305 T N 4.176 118.601 114.554 -0.216 0.000 2.884 305 T HA 0.087 4.437 4.350 -0.229 -0.138 0.298 305 T C -1.172 173.341 174.700 -0.311 0.000 0.998 305 T CA 1.907 63.771 62.100 -0.394 0.000 1.124 305 T CB 0.603 68.967 68.868 -0.841 0.000 0.931 305 T HN 0.271 8.285 8.240 -0.377 0.000 0.531 306 M N 7.838 127.304 119.600 -0.223 0.000 2.190 306 M HA 0.682 5.074 4.480 -0.483 -0.203 0.312 306 M C -2.546 173.552 176.300 -0.336 0.000 0.990 306 M CA -1.000 54.102 55.300 -0.330 0.000 0.927 306 M CB 3.230 35.715 32.600 -0.191 0.000 1.571 306 M HN 0.417 8.596 8.290 -0.185 0.000 0.427 307 V N 7.024 126.691 119.914 -0.412 0.000 2.604 307 V HA 0.626 4.725 4.120 -0.331 -0.177 0.305 307 V C -2.127 173.711 176.094 -0.427 0.000 1.043 307 V CA -1.771 60.290 62.300 -0.399 0.000 0.888 307 V CB 3.282 34.843 31.823 -0.437 0.000 0.995 307 V HN 0.824 8.721 8.190 -0.489 0.000 0.429 308 Y N 8.075 128.054 120.300 -0.534 0.000 2.334 308 Y HA 0.614 5.121 4.550 -0.333 -0.157 0.336 308 Y C -2.403 173.265 175.900 -0.385 0.000 0.960 308 Y CA -3.938 53.924 58.100 -0.397 0.000 1.164 308 Y CB 2.297 40.570 38.460 -0.312 0.000 1.155 308 Y HN 0.275 8.395 8.280 -0.266 0.000 0.478 309 Y N 6.205 126.570 120.300 0.108 0.000 2.446 309 Y HA 0.528 5.235 4.550 -0.058 -0.191 0.338 309 Y C -0.707 175.188 175.900 -0.008 0.000 1.055 309 Y CA -2.405 55.716 58.100 0.035 0.000 1.101 309 Y CB 3.315 41.927 38.460 0.253 0.000 1.221 309 Y HN 0.596 9.095 8.280 0.364 0.000 0.460 310 Q N 0.592 120.470 119.800 0.130 0.000 2.314 310 Q HA 0.437 5.186 4.340 0.443 -0.144 0.259 310 Q C 0.737 176.908 176.000 0.284 0.000 0.951 310 Q CA -1.732 54.225 55.803 0.256 0.000 0.909 310 Q CB 1.292 30.111 28.738 0.135 0.000 1.236 310 Q HN 0.022 8.355 8.270 0.105 0.000 0.444 311 G N 8.141 117.106 108.800 0.275 0.000 2.602 311 G HA2 -0.543 3.453 3.960 0.059 0.000 0.310 311 G HA3 -0.543 3.465 3.960 0.080 0.000 0.310 311 G C -0.961 173.862 174.900 -0.128 0.000 1.183 311 G CA 1.285 46.437 45.100 0.085 0.000 0.979 311 G HN 0.712 9.216 8.290 0.357 0.000 0.545 312 E N 1.666 121.703 120.200 -0.270 0.000 2.603 312 E HA 0.133 3.925 4.350 -0.931 0.000 0.211 312 E C -0.671 175.981 176.600 0.085 0.000 0.995 312 E CA -0.995 55.066 56.400 -0.565 0.000 0.990 312 E CB 1.367 30.542 29.700 -0.874 0.000 1.036 312 E HN -0.151 8.012 8.360 -0.138 0.113 0.475 313 Y N 1.997 122.392 120.300 0.158 0.000 2.367 313 Y HA 0.015 4.691 4.550 0.211 0.000 0.342 313 Y C -2.228 173.807 175.900 0.225 0.000 0.979 313 Y CA -0.561 57.663 58.100 0.207 0.000 1.161 313 Y CB 1.445 40.000 38.460 0.159 0.000 1.155 313 Y HN -0.275 8.209 8.280 0.340 0.000 0.503 314 A N 8.133 130.854 122.820 -0.165 0.000 2.451 314 A HA -0.015 4.253 4.320 -0.337 -0.150 0.266 314 A C -0.407 176.973 177.584 -0.340 0.000 1.119 314 A CA 0.141 51.994 52.037 -0.307 0.000 0.786 314 A CB 0.199 18.992 19.000 -0.345 0.000 1.061 314 A HN 0.476 8.448 8.150 -0.296 0.000 0.503 315 V N -0.155 119.581 119.914 -0.298 0.000 3.565 315 V HA 0.194 4.234 4.120 -0.133 0.000 0.260 315 V C -1.267 174.695 176.094 -0.220 0.000 1.231 315 V CA 0.047 62.197 62.300 -0.249 0.000 1.100 315 V CB 1.193 32.783 31.823 -0.389 0.000 0.807 315 V HN 0.290 8.248 8.190 -0.386 0.000 0.454 316 A N -1.018 121.675 122.820 -0.212 0.000 2.605 316 A HA 0.306 4.558 4.320 -0.114 0.000 0.294 316 A C -2.514 174.988 177.584 -0.137 0.000 1.062 316 A CA 0.493 52.462 52.037 -0.115 0.000 0.682 316 A CB 2.086 21.085 19.000 -0.001 0.000 1.278 316 A HN -0.809 7.182 8.150 -0.265 0.000 0.410 317 T N 1.393 115.879 114.554 -0.113 0.000 2.909 317 T HA 0.996 5.470 4.350 -0.154 -0.216 0.299 317 T C -0.789 173.859 174.700 -0.087 0.000 1.073 317 T CA -0.903 61.123 62.100 -0.123 0.000 0.999 317 T CB 3.209 72.006 68.868 -0.118 0.000 1.098 317 T HN -0.136 8.048 8.240 -0.094 0.000 0.477 318 S N 2.627 118.273 115.700 -0.090 0.000 2.880 318 S HA 0.469 4.912 4.470 -0.045 0.000 0.308 318 S C -2.147 172.425 174.600 -0.047 0.000 1.195 318 S CA -1.159 57.010 58.200 -0.051 0.000 0.866 318 S CB 1.000 64.186 63.200 -0.023 0.000 1.254 318 S HN 0.581 8.820 8.310 -0.117 0.000 0.571 319 S N 0.156 115.852 115.700 -0.006 0.000 2.569 319 S HA 1.005 5.664 4.470 0.016 -0.179 0.280 319 S C -2.247 172.398 174.600 0.075 0.000 1.111 319 S CA -1.257 56.954 58.200 0.019 0.000 0.887 319 S CB 3.523 66.718 63.200 -0.008 0.000 1.095 319 S HN 0.069 8.381 8.310 0.004 0.000 0.476 320 V N -1.176 118.816 119.914 0.129 0.000 3.077 320 V HA 0.398 4.582 4.120 0.108 0.000 0.299 320 V C -2.603 173.586 176.094 0.160 0.000 1.276 320 V CA -1.480 60.910 62.300 0.151 0.000 0.993 320 V CB 4.386 36.343 31.823 0.224 0.000 1.076 320 V HN 0.399 8.676 8.190 0.145 0.000 0.434 321 T N 8.023 122.639 114.554 0.104 0.000 2.856 321 T HA 0.688 5.292 4.350 0.133 -0.175 0.283 321 T C -1.062 173.675 174.700 0.062 0.000 1.008 321 T CA -1.046 61.109 62.100 0.092 0.000 0.997 321 T CB 1.644 70.537 68.868 0.043 0.000 0.992 321 T HN -0.039 8.249 8.240 0.080 0.000 0.454 322 V N 5.447 125.407 119.914 0.076 0.000 2.555 322 V HA 0.201 4.297 4.120 -0.040 0.000 0.302 322 V C -1.460 174.633 176.094 -0.001 0.000 1.038 322 V CA -1.998 60.301 62.300 -0.002 0.000 0.887 322 V CB 2.406 34.195 31.823 -0.058 0.000 0.991 322 V HN 0.822 9.090 8.190 0.131 0.000 0.434 323 S N 4.753 120.433 115.700 -0.033 0.000 2.536 323 S HA 0.333 4.791 4.470 -0.019 0.000 0.298 323 S C -0.819 173.751 174.600 -0.050 0.000 1.083 323 S CA -1.713 56.469 58.200 -0.030 0.000 0.995 323 S CB 2.871 66.056 63.200 -0.025 0.000 1.058 323 S HN 0.538 8.819 8.310 -0.048 0.000 0.488 324 A N 2.865 125.659 122.820 -0.044 0.000 2.546 324 A HA -0.272 4.027 4.320 -0.070 -0.020 0.243 324 A C 1.067 178.620 177.584 -0.053 0.000 1.063 324 A CA 1.260 53.265 52.037 -0.054 0.000 0.757 324 A CB -0.429 18.545 19.000 -0.043 0.000 0.991 324 A HN 0.442 8.571 8.150 -0.034 0.000 0.503 325 G N 4.242 113.004 108.800 -0.064 0.000 2.176 325 G HA2 -0.462 3.470 3.960 -0.045 0.000 0.253 325 G HA3 -0.462 3.463 3.960 -0.057 0.000 0.253 325 G C -0.850 174.016 174.900 -0.056 0.000 0.979 325 G CA -0.077 44.990 45.100 -0.055 0.000 0.641 325 G HN 0.464 8.602 8.290 -0.076 0.106 0.530 326 S N 0.975 116.637 115.700 -0.064 0.000 2.600 326 S HA 0.279 4.716 4.470 -0.055 0.000 0.300 326 S C -1.390 173.162 174.600 -0.080 0.000 1.087 326 S CA -0.917 57.247 58.200 -0.061 0.000 0.965 326 S CB 2.810 65.981 63.200 -0.048 0.000 1.089 326 S HN -0.535 7.673 8.310 -0.070 0.061 0.496 327 T N 5.239 119.750 114.554 -0.072 0.000 2.758 327 T HA 0.407 4.882 4.350 -0.107 -0.189 0.285 327 T C -0.164 174.498 174.700 -0.063 0.000 0.981 327 T CA -0.040 62.011 62.100 -0.083 0.000 0.965 327 T CB 1.051 69.873 68.868 -0.077 0.000 0.927 327 T HN 0.283 8.487 8.240 -0.060 0.000 0.448 328 T N 11.220 125.734 114.554 -0.065 0.000 2.761 328 T HA 0.071 4.406 4.350 -0.024 0.000 0.296 328 T C -0.810 173.882 174.700 -0.013 0.000 0.934 328 T CA 0.159 62.240 62.100 -0.031 0.000 1.091 328 T CB 0.637 69.494 68.868 -0.019 0.000 0.896 328 T HN 0.706 8.893 8.240 -0.089 0.000 0.515 329 T N 9.022 123.570 114.554 -0.009 0.000 2.749 329 T HA 0.415 4.982 4.350 -0.025 -0.232 0.295 329 T C -0.302 174.417 174.700 0.031 0.000 0.936 329 T CA 0.350 62.444 62.100 -0.010 0.000 1.060 329 T CB 0.657 69.508 68.868 -0.027 0.000 0.904 329 T HN 0.306 8.539 8.240 -0.012 0.000 0.500 330 K N 8.160 128.602 120.400 0.071 0.000 2.615 330 K HA 0.218 4.594 4.320 0.093 0.000 0.249 330 K C -1.768 174.944 176.600 0.186 0.000 0.977 330 K CA -0.807 55.561 56.287 0.136 0.000 0.833 330 K CB 2.546 35.171 32.500 0.209 0.000 1.208 330 K HN 0.332 8.617 8.250 0.057 0.000 0.443 331 N N 5.227 123.995 118.700 0.114 0.000 2.458 331 N HA 0.146 5.077 4.740 0.174 -0.087 0.271 331 N C -1.239 174.335 175.510 0.107 0.000 1.210 331 N CA -0.379 52.742 53.050 0.120 0.000 0.978 331 N CB 1.638 40.153 38.487 0.047 0.000 1.206 331 N HN 0.041 8.467 8.380 0.077 0.000 0.536 332 I N -1.649 118.951 120.570 0.051 0.000 2.752 332 I HA 0.307 4.477 4.170 -0.000 0.000 0.295 332 I C -2.456 173.606 176.117 -0.091 0.000 1.219 332 I CA -1.056 60.223 61.300 -0.035 0.000 1.030 332 I CB 3.561 41.500 38.000 -0.101 0.000 1.259 332 I HN -0.160 8.079 8.210 0.048 0.000 0.423 333 S N 5.700 121.410 115.700 0.016 0.000 2.550 333 S HA 1.100 5.818 4.470 0.130 -0.170 0.270 333 S C -1.236 173.433 174.600 0.115 0.000 1.145 333 S CA -1.700 56.552 58.200 0.086 0.000 0.852 333 S CB 3.623 66.846 63.200 0.038 0.000 1.119 333 S HN 0.078 8.406 8.310 0.030 0.000 0.465 334 G N -0.479 108.385 108.800 0.108 0.000 2.356 334 G HA2 0.294 4.221 3.960 -0.055 0.000 0.294 334 G HA3 0.294 4.237 3.960 -0.028 0.000 0.294 334 G C -2.864 171.965 174.900 -0.119 0.000 1.423 334 G CA 0.413 45.495 45.100 -0.029 0.000 0.806 334 G HN -0.096 8.288 8.290 0.157 0.000 0.527 335 S N -2.108 113.513 115.700 -0.131 0.000 2.596 335 S HA 0.172 4.528 4.470 -0.191 0.000 0.270 335 S C -1.081 173.430 174.600 -0.149 0.000 1.155 335 S CA -1.169 56.943 58.200 -0.147 0.000 0.827 335 S CB 2.957 66.100 63.200 -0.094 0.000 1.130 335 S HN -0.064 8.178 8.310 -0.113 0.000 0.467 336 V N 1.897 121.706 119.914 -0.175 0.000 2.488 336 V HA -0.088 3.893 4.120 -0.233 0.000 0.277 336 V C 0.081 176.010 176.094 -0.276 0.000 1.046 336 V CA 0.737 62.880 62.300 -0.263 0.000 0.986 336 V CB 0.245 31.818 31.823 -0.417 0.000 0.989 336 V HN 0.266 8.356 8.190 -0.165 0.000 0.475 337 K N 8.452 128.671 120.400 -0.302 0.000 2.323 337 K HA 0.410 4.569 4.320 -0.269 0.000 0.259 337 K C -0.311 176.015 176.600 -0.457 0.000 0.947 337 K CA -0.596 55.512 56.287 -0.298 0.000 0.819 337 K CB 1.268 33.646 32.500 -0.203 0.000 1.109 337 K HN 0.322 8.393 8.250 -0.298 0.000 0.429 338 T N -0.886 113.320 114.554 -0.579 0.000 2.964 338 T HA 0.403 3.959 4.350 -1.324 0.000 0.161 338 T C -0.337 173.791 174.700 -0.953 0.000 0.859 338 T CA -1.354 60.035 62.100 -1.185 0.000 1.015 338 T CB 1.399 69.492 68.868 -1.292 0.000 2.138 338 T HN 0.189 8.151 8.240 -0.463 0.000 0.367 339 G N 0.920 109.348 108.800 -0.621 0.000 2.393 339 G HA2 0.094 4.267 3.960 0.118 0.000 0.264 339 G HA3 0.094 3.999 3.960 -0.092 0.000 0.264 339 G C -1.989 172.906 174.900 -0.009 0.000 1.221 339 G CA 0.813 45.850 45.100 -0.106 0.000 0.912 339 G HN -0.429 7.501 8.290 -0.599 0.000 0.483 340 T N 5.852 120.458 114.554 0.087 0.000 2.738 340 T HA 0.026 4.397 4.350 0.035 0.000 0.293 340 T C -0.239 174.519 174.700 0.097 0.000 0.913 340 T CA 1.059 63.198 62.100 0.065 0.000 1.103 340 T CB -0.256 68.647 68.868 0.057 0.000 0.880 340 T HN 0.025 8.337 8.240 0.121 0.000 0.526 341 T N 9.730 124.320 114.554 0.061 0.000 2.814 341 T HA -0.068 4.450 4.350 0.090 -0.114 0.297 341 T C -0.241 174.476 174.700 0.027 0.000 0.956 341 T CA 1.174 63.306 62.100 0.053 0.000 1.123 341 T CB 0.180 69.065 68.868 0.028 0.000 0.902 341 T HN 0.427 8.689 8.240 0.038 0.000 0.528 342 I N 8.567 129.119 120.570 -0.031 0.000 2.296 342 I HA -0.202 4.002 4.170 0.056 0.000 0.242 342 I C 0.039 176.196 176.117 0.068 0.000 1.087 342 I CA 1.970 63.268 61.300 -0.004 0.000 1.393 342 I CB 0.873 38.837 38.000 -0.059 0.000 1.093 342 I HN 0.520 8.681 8.210 -0.083 0.000 0.421 343 F N -4.999 114.912 119.950 -0.066 0.000 2.645 343 F HA 0.521 5.032 4.527 -0.026 0.000 0.310 343 F C -2.745 173.019 175.800 -0.060 0.000 1.102 343 F CA -1.750 56.213 58.000 -0.062 0.000 0.952 343 F CB 2.479 41.424 39.000 -0.092 0.000 1.326 343 F HN -0.695 7.318 8.300 -0.479 0.000 0.456 344 K N 1.933 122.477 120.400 0.240 0.000 2.513 344 K HA 0.574 5.065 4.320 0.021 -0.159 0.251 344 K C -1.619 174.984 176.600 0.006 0.000 0.939 344 K CA -0.732 55.596 56.287 0.068 0.000 0.793 344 K CB 3.923 36.414 32.500 -0.015 0.000 1.241 344 K HN -0.010 8.404 8.250 0.274 0.000 0.431 345 I N 5.616 126.088 120.570 -0.164 0.000 2.411 345 I HA 0.195 4.114 4.170 -0.419 0.000 0.284 345 I C -1.295 174.505 176.117 -0.527 0.000 1.012 345 I CA -0.970 60.051 61.300 -0.466 0.000 1.119 345 I CB 1.616 39.108 38.000 -0.847 0.000 1.261 345 I HN 0.668 8.778 8.210 -0.166 0.000 0.448 346 G N 5.824 114.314 108.800 -0.516 0.000 2.698 346 G HA2 -0.295 3.524 3.960 -0.234 0.000 0.225 346 G HA3 -0.295 3.422 3.960 -0.405 0.000 0.225 346 G C -1.553 173.165 174.900 -0.303 0.000 1.345 346 G CA -0.295 44.578 45.100 -0.377 0.000 0.871 346 G HN 0.071 8.073 8.290 -0.480 0.000 0.540 347 E N -1.638 118.416 120.200 -0.244 0.000 2.312 347 E HA 0.261 4.433 4.350 -0.296 0.000 0.267 347 E C -0.758 175.638 176.600 -0.339 0.000 0.894 347 E CA -1.793 54.453 56.400 -0.256 0.000 0.773 347 E CB 3.589 33.229 29.700 -0.099 0.000 1.241 347 E HN 0.189 8.466 8.360 -0.138 0.000 0.432 348 W N 2.314 123.529 121.300 -0.142 0.000 2.110 348 W HA -0.080 4.427 4.660 -0.255 0.000 0.450 348 W C -0.406 175.996 176.519 -0.195 0.000 0.893 348 W CA -0.341 56.824 57.345 -0.301 0.000 1.688 348 W CB -0.803 28.296 29.460 -0.602 0.000 1.779 348 W HN 0.514 8.628 8.180 -0.110 0.000 0.300 349 D N -3.224 117.250 120.400 0.123 0.000 2.556 349 D HA 0.156 5.053 4.640 0.181 -0.149 0.237 349 D C 0.863 177.245 176.300 0.137 0.000 1.296 349 D CA -1.822 52.257 54.000 0.132 0.000 0.807 349 D CB 1.194 42.021 40.800 0.046 0.000 1.084 349 D HN -0.593 8.021 8.370 0.079 -0.197 0.510 350 G N -0.525 108.426 108.800 0.251 0.000 2.179 350 G HA2 -0.543 3.513 3.960 0.159 0.000 0.257 350 G HA3 -0.543 3.700 3.960 0.278 -0.116 0.257 350 G C -1.323 173.618 174.900 0.068 0.000 1.010 350 G CA 1.156 46.373 45.100 0.196 0.000 0.736 350 G HN -0.454 8.335 8.290 0.346 -0.291 0.513 351 Q N -2.624 117.162 119.800 -0.023 0.000 2.456 351 Q HA 0.383 4.579 4.340 -0.240 0.000 0.284 351 Q C -2.569 173.306 176.000 -0.208 0.000 1.061 351 Q CA -3.071 52.611 55.803 -0.201 0.000 0.799 351 Q CB 2.565 31.124 28.738 -0.299 0.000 1.445 351 Q HN -0.591 7.995 8.270 -0.007 -0.320 0.411 352 P HA 0.350 4.558 4.420 -0.564 -0.126 0.253 352 P C -0.983 176.318 177.300 0.001 0.000 1.459 352 P CA -0.374 62.533 63.100 -0.322 0.000 0.908 352 P CB -0.317 31.210 31.700 -0.288 0.000 1.470 353 T N -2.490 112.053 114.554 -0.019 0.000 2.908 353 T HA -0.300 4.039 4.350 -0.019 0.000 0.301 353 T C 0.983 175.771 174.700 0.146 0.000 1.019 353 T CA 1.600 63.712 62.100 0.020 0.000 1.152 353 T CB 0.093 68.931 68.868 -0.049 0.000 0.966 353 T HN -0.397 7.692 8.240 -0.093 0.096 0.540 354 G N 3.878 112.726 108.800 0.081 0.000 2.241 354 G HA2 -0.324 3.604 3.960 -0.053 0.000 0.244 354 G HA3 -0.324 3.622 3.960 -0.024 0.000 0.244 354 G C -0.772 174.123 174.900 -0.008 0.000 0.998 354 G CA 0.181 45.283 45.100 0.003 0.000 0.621 354 G HN 0.151 8.469 8.290 0.047 0.000 0.519 355 F N 0.480 120.399 119.950 -0.051 0.000 2.403 355 F HA -0.050 4.652 4.527 0.008 -0.170 0.320 355 F C 0.657 176.444 175.800 -0.021 0.000 1.176 355 F CA 0.268 58.267 58.000 -0.003 0.000 1.206 355 F CB 0.932 39.966 39.000 0.056 0.000 1.235 355 F HN -0.629 7.929 8.300 0.543 0.067 0.565 356 R N 0.835 121.429 120.500 0.157 0.000 2.504 356 R HA -0.381 3.931 4.340 -0.048 0.000 0.291 356 R C 0.029 176.275 176.300 -0.090 0.000 0.974 356 R CA 2.389 58.481 56.100 -0.012 0.000 1.077 356 R CB 0.110 30.375 30.300 -0.060 0.000 0.926 356 R HN 0.206 8.594 8.270 0.197 0.000 0.407 357 N N 0.184 118.783 118.700 -0.168 0.000 2.936 357 N HA -0.413 4.378 4.740 -0.207 -0.175 0.236 357 N C 0.396 175.864 175.510 -0.070 0.000 0.930 357 N CA 2.649 55.571 53.050 -0.214 0.000 0.966 357 N CB -1.759 36.410 38.487 -0.531 0.000 1.090 357 N HN 0.738 9.029 8.380 -0.148 0.000 0.592 358 A N -0.733 122.084 122.820 -0.006 0.000 1.883 358 A HA -0.296 4.031 4.320 0.011 0.000 0.217 358 A C 0.901 178.457 177.584 -0.046 0.000 1.186 358 A CA 3.361 55.396 52.037 -0.003 0.000 0.624 358 A CB -0.143 18.868 19.000 0.017 0.000 0.822 358 A HN -0.444 7.657 8.150 0.019 0.060 0.444 359 A N -2.390 120.401 122.820 -0.049 0.000 1.930 359 A HA -0.373 3.914 4.320 -0.056 0.000 0.217 359 A C 2.202 179.744 177.584 -0.070 0.000 1.175 359 A CA 2.731 54.735 52.037 -0.054 0.000 0.627 359 A CB -0.910 18.065 19.000 -0.041 0.000 0.815 359 A HN 0.535 8.660 8.150 -0.042 0.000 0.443 360 N N -1.759 116.891 118.700 -0.082 0.000 2.244 360 N HA -0.267 4.409 4.740 -0.106 0.000 0.183 360 N C 2.176 177.603 175.510 -0.140 0.000 1.016 360 N CA 2.469 55.455 53.050 -0.108 0.000 0.866 360 N CB -0.790 37.628 38.487 -0.114 0.000 0.980 360 N HN -0.339 7.992 8.380 -0.082 0.000 0.430 361 Q N 0.757 120.501 119.800 -0.093 0.000 2.226 361 Q HA -0.185 4.212 4.340 -0.112 -0.124 0.204 361 Q C 1.721 177.641 176.000 -0.132 0.000 0.975 361 Q CA 2.859 58.612 55.803 -0.083 0.000 0.866 361 Q CB -0.341 28.416 28.738 0.032 0.000 0.915 361 Q HN -0.333 7.876 8.270 -0.065 0.023 0.440 362 L N -3.511 117.646 121.223 -0.111 0.000 2.275 362 L HA -0.184 4.137 4.340 -0.032 0.000 0.215 362 L C 0.826 177.571 176.870 -0.208 0.000 1.119 362 L CA 2.188 56.968 54.840 -0.101 0.000 0.790 362 L CB -0.187 41.819 42.059 -0.087 0.000 0.919 362 L HN -0.667 7.486 8.230 -0.096 0.020 0.443 363 R N -7.282 113.010 120.500 -0.348 0.000 2.549 363 R HA 0.211 4.361 4.340 -0.316 0.000 0.361 363 R C -1.258 174.611 176.300 -0.719 0.000 0.969 363 R CA -1.436 54.422 56.100 -0.402 0.000 1.158 363 R CB 1.670 31.864 30.300 -0.178 0.000 1.456 363 R HN -0.296 7.620 8.270 -0.324 0.160 0.540 364 M N -7.215 111.785 119.600 -1.000 0.000 2.732 364 M HA 0.209 4.112 4.480 -0.963 0.000 0.272 364 M C -3.056 172.909 176.300 -0.559 0.000 1.203 364 M CA -0.557 54.267 55.300 -0.793 0.000 0.841 364 M CB 2.844 35.280 32.600 -0.273 0.000 1.685 364 M HN -0.742 7.028 8.290 -0.867 0.000 0.492 365 H N 1.769 120.698 119.070 -0.234 0.000 2.562 365 H HA 0.387 4.923 4.556 -0.034 0.000 0.352 365 H C -0.562 174.664 175.328 -0.169 0.000 1.125 365 H CA 0.208 56.209 56.048 -0.077 0.000 1.379 365 H CB 2.451 32.228 29.762 0.025 0.000 1.464 365 H HN 0.090 8.418 8.280 0.080 0.000 0.563 366 P HA -0.139 4.253 4.420 -0.047 0.000 0.221 366 P C 0.244 177.255 177.300 -0.481 0.000 1.145 366 P CA 2.127 64.868 63.100 -0.598 0.000 0.795 366 P CB 0.251 31.065 31.700 -1.477 0.000 0.775 367 S N -5.533 110.011 115.700 -0.260 0.000 2.562 367 S HA -0.180 4.371 4.470 0.134 0.000 0.221 367 S C -0.174 174.500 174.600 0.123 0.000 0.975 367 S CA 0.073 58.332 58.200 0.098 0.000 0.918 367 S CB 0.074 63.449 63.200 0.293 0.000 0.772 367 S HN -0.586 7.715 8.310 0.039 0.033 0.531 368 D N 3.103 123.556 120.400 0.089 0.000 2.488 368 D HA -0.094 4.584 4.640 0.064 0.000 0.238 368 D C 1.838 178.163 176.300 0.041 0.000 1.138 368 D CA 1.452 55.486 54.000 0.057 0.000 0.873 368 D CB 1.511 42.325 40.800 0.025 0.000 1.183 368 D HN -0.714 7.543 8.370 0.073 0.158 0.458 369 S N 7.299 123.019 115.700 0.034 0.000 2.469 369 S HA -0.275 4.213 4.470 0.031 0.000 0.238 369 S C 0.950 175.547 174.600 -0.005 0.000 0.998 369 S CA 2.306 60.519 58.200 0.021 0.000 0.957 369 S CB -0.170 63.042 63.200 0.019 0.000 0.764 369 S HN 0.762 9.093 8.310 0.035 0.000 0.514 370 R N -0.888 119.602 120.500 -0.016 0.000 2.276 370 R HA -0.006 4.313 4.340 -0.036 0.000 0.203 370 R C 0.310 176.566 176.300 -0.074 0.000 1.017 370 R CA 0.273 56.350 56.100 -0.038 0.000 1.010 370 R CB 0.224 30.504 30.300 -0.034 0.000 0.900 370 R HN -0.574 7.961 8.270 -0.008 -0.271 0.469 371 M N -1.618 117.931 119.600 -0.085 0.000 2.248 371 M HA -0.168 4.193 4.480 -0.197 0.000 0.337 371 M C 0.545 176.719 176.300 -0.209 0.000 1.121 371 M CA 0.177 55.372 55.300 -0.176 0.000 1.155 371 M CB -0.002 32.496 32.600 -0.171 0.000 1.514 371 M HN -0.737 7.484 8.290 -0.053 0.036 0.452 372 S N 2.759 118.285 115.700 -0.291 0.000 2.600 372 S HA 0.086 4.448 4.470 -0.180 0.000 0.265 372 S C -0.352 174.032 174.600 -0.359 0.000 1.325 372 S CA -0.070 57.972 58.200 -0.263 0.000 1.002 372 S CB 0.616 63.676 63.200 -0.234 0.000 0.921 372 S HN -0.034 8.346 8.310 -0.318 -0.260 0.554 373 S N 0.264 115.837 115.700 -0.210 0.000 2.552 373 S HA -0.078 4.343 4.470 -0.083 0.000 0.289 373 S C 1.407 175.903 174.600 -0.174 0.000 1.304 373 S CA 0.345 58.466 58.200 -0.132 0.000 1.063 373 S CB 0.531 63.706 63.200 -0.040 0.000 0.848 373 S HN -0.088 8.130 8.310 -0.153 0.000 0.499 374 W N 6.007 127.330 121.300 0.037 0.000 2.518 374 W HA -0.124 4.577 4.660 0.070 0.000 0.273 374 W C 0.244 176.783 176.519 0.033 0.000 1.247 374 W CA 1.322 58.705 57.345 0.063 0.000 1.288 374 W CB 0.577 30.108 29.460 0.118 0.000 1.107 374 W HN 0.606 8.926 8.180 0.233 0.000 0.586 375 G N -2.435 106.486 108.800 0.202 0.000 2.384 375 G HA2 -0.179 3.891 3.960 0.100 0.000 0.204 375 G HA3 -0.179 3.820 3.960 0.065 0.000 0.204 375 G C -2.921 172.034 174.900 0.092 0.000 1.237 375 G CA -1.018 44.147 45.100 0.108 0.000 1.060 375 G HN -0.785 7.614 8.290 0.182 0.000 0.514 376 P HA -0.026 4.420 4.420 0.043 0.000 0.268 376 P C -0.813 176.497 177.300 0.018 0.000 1.204 376 P CA 0.143 63.264 63.100 0.036 0.000 0.768 376 P CB 0.416 32.129 31.700 0.023 0.000 0.842 377 L N 3.320 124.540 121.223 -0.005 0.000 2.346 377 L HA 0.325 4.661 4.340 -0.007 0.000 0.274 377 L C -0.286 176.574 176.870 -0.017 0.000 1.007 377 L CA -1.010 53.820 54.840 -0.018 0.000 0.818 377 L CB 2.178 44.214 42.059 -0.039 0.000 1.284 377 L HN 0.191 8.410 8.230 -0.019 0.000 0.424 378 T N 3.545 118.100 114.554 0.001 0.000 2.767 378 T HA 0.432 4.995 4.350 0.036 -0.192 0.284 378 T C -0.961 173.770 174.700 0.052 0.000 0.973 378 T CA -0.275 61.840 62.100 0.025 0.000 0.996 378 T CB 0.821 69.695 68.868 0.011 0.000 0.927 378 T HN 0.182 8.420 8.240 -0.003 0.000 0.456 379 Y N 9.588 129.869 120.300 -0.033 0.000 2.335 379 Y HA 0.029 4.568 4.550 -0.018 0.000 0.339 379 Y C -1.989 173.894 175.900 -0.028 0.000 0.987 379 Y CA -1.371 56.724 58.100 -0.008 0.000 1.140 379 Y CB 2.508 41.030 38.460 0.104 0.000 1.173 379 Y HN 0.603 9.003 8.280 0.200 0.000 0.486 380 T N 10.244 124.582 114.554 -0.359 0.000 2.756 380 T HA 0.291 4.758 4.350 -0.106 -0.181 0.290 380 T C -0.820 173.644 174.700 -0.394 0.000 0.985 380 T CA -0.502 61.449 62.100 -0.248 0.000 0.955 380 T CB 0.939 69.704 68.868 -0.172 0.000 0.930 380 T HN 0.518 8.457 8.240 -0.502 0.000 0.451 381 V N 8.092 127.893 119.914 -0.188 0.000 2.493 381 V HA -0.321 3.722 4.120 -0.129 0.000 0.292 381 V C 0.902 176.936 176.094 -0.100 0.000 1.016 381 V CA 2.163 64.387 62.300 -0.126 0.000 1.097 381 V CB -0.461 31.301 31.823 -0.101 0.000 0.947 381 V HN 0.263 8.400 8.190 -0.088 0.000 0.479 382 G N 6.575 115.309 108.800 -0.110 0.000 2.194 382 G HA2 -0.343 3.590 3.960 -0.044 0.000 0.236 382 G HA3 -0.343 3.588 3.960 -0.048 0.000 0.236 382 G C -0.323 174.511 174.900 -0.110 0.000 0.987 382 G CA 0.769 45.825 45.100 -0.073 0.000 0.635 382 G HN 0.700 8.914 8.290 -0.126 0.000 0.520 383 S N 0.403 115.991 115.700 -0.186 0.000 3.056 383 S HA 0.062 4.453 4.470 -0.131 0.000 0.255 383 S C 0.364 174.821 174.600 -0.237 0.000 1.079 383 S CA -0.213 57.881 58.200 -0.177 0.000 0.810 383 S CB 2.166 65.274 63.200 -0.153 0.000 0.810 383 S HN -0.145 7.953 8.310 -0.252 0.060 0.477 384 S N 3.946 119.397 115.700 -0.414 0.000 2.576 384 S HA -0.107 4.183 4.470 -0.300 0.000 0.276 384 S C -1.335 173.062 174.600 -0.339 0.000 1.339 384 S CA 0.962 58.882 58.200 -0.467 0.000 1.039 384 S CB 0.865 63.535 63.200 -0.883 0.000 0.902 384 S HN -0.485 7.510 8.310 -0.524 0.000 0.516 385 A N 2.570 125.298 122.820 -0.153 0.000 2.286 385 A HA 0.207 4.494 4.320 -0.056 0.000 0.286 385 A C 0.695 178.327 177.584 0.080 0.000 1.097 385 A CA -1.042 50.965 52.037 -0.049 0.000 0.821 385 A CB 1.461 20.430 19.000 -0.051 0.000 1.076 385 A HN -0.133 8.161 8.150 -0.133 -0.224 0.490 386 L N -0.959 120.281 121.223 0.028 0.000 2.127 386 L HA -0.223 4.103 4.340 -0.023 0.000 0.211 386 L C 1.030 177.854 176.870 -0.076 0.000 1.089 386 L CA 2.610 57.402 54.840 -0.079 0.000 0.757 386 L CB -0.574 41.320 42.059 -0.275 0.000 0.899 386 L HN 0.499 8.714 8.230 -0.024 0.000 0.434 387 T N -6.704 107.826 114.554 -0.040 0.000 3.163 387 T HA -0.200 4.213 4.350 -0.024 -0.077 0.260 387 T C 0.733 175.438 174.700 0.007 0.000 1.156 387 T CA 2.259 64.345 62.100 -0.025 0.000 1.072 387 T CB -1.539 67.304 68.868 -0.042 0.000 0.937 387 T HN -0.099 8.100 8.240 -0.043 0.015 0.528 388 D N 1.769 122.211 120.400 0.070 0.000 2.360 388 D HA 0.059 4.716 4.640 0.028 0.000 0.210 388 D C -0.589 175.823 176.300 0.187 0.000 1.047 388 D CA 0.467 54.523 54.000 0.094 0.000 0.854 388 D CB 0.716 41.556 40.800 0.066 0.000 0.936 388 D HN -0.136 8.105 8.370 0.101 0.190 0.514 389 F N 2.288 122.263 119.950 0.041 0.000 2.410 389 F HA 0.257 4.782 4.527 -0.004 0.000 0.349 389 F C -2.103 173.739 175.800 0.070 0.000 1.117 389 F CA -2.477 55.493 58.000 -0.050 0.000 1.104 389 F CB 2.459 41.206 39.000 -0.422 0.000 1.122 389 F HN -0.452 7.881 8.300 0.247 0.115 0.483 390 P HA 0.018 4.528 4.420 0.150 0.000 0.271 390 P C -1.316 176.242 177.300 0.430 0.000 1.216 390 P CA -0.422 62.778 63.100 0.166 0.000 0.771 390 P CB 0.956 32.748 31.700 0.154 0.000 0.864 391 M N -1.028 118.833 119.600 0.436 0.000 2.358 391 M HA -0.280 4.317 4.480 0.196 0.000 0.264 391 M C -1.086 175.402 176.300 0.314 0.000 1.064 391 M CA 2.662 58.154 55.300 0.319 0.000 1.093 391 M CB -0.111 32.629 32.600 0.233 0.000 1.401 391 M HN -0.172 8.331 8.290 0.356 0.000 0.440 392 A N -4.189 118.856 122.820 0.375 0.000 2.587 392 A HA 0.554 4.884 4.320 -0.184 -0.121 0.293 392 A C -2.223 175.279 177.584 -0.138 0.000 1.087 392 A CA -1.263 50.729 52.037 -0.075 0.000 0.692 392 A CB 3.183 21.929 19.000 -0.424 0.000 1.291 392 A HN -0.901 7.541 8.150 0.548 0.037 0.407 393 V N 0.036 119.586 119.914 -0.608 0.000 2.487 393 V HA 0.350 4.566 4.120 -0.130 -0.174 0.298 393 V C -2.422 173.261 176.094 -0.685 0.000 1.028 393 V CA -2.462 59.572 62.300 -0.443 0.000 0.860 393 V CB 2.625 34.265 31.823 -0.304 0.000 0.991 393 V HN -0.099 7.494 8.190 -0.995 0.000 0.427 394 F N 7.243 127.039 119.950 -0.257 0.000 2.458 394 F HA 0.476 5.009 4.527 -0.216 -0.136 0.336 394 F C 0.827 176.527 175.800 -0.167 0.000 1.114 394 F CA -1.711 56.152 58.000 -0.228 0.000 0.987 394 F CB 2.329 41.163 39.000 -0.277 0.000 1.130 394 F HN 0.834 9.600 8.300 0.153 -0.374 0.458 395 K N 5.079 125.499 120.400 0.034 0.000 2.160 395 K HA -0.296 4.021 4.320 -0.006 0.000 0.206 395 K C 0.319 176.917 176.600 -0.004 0.000 1.047 395 K CA 2.896 59.187 56.287 0.006 0.000 0.930 395 K CB 0.033 32.538 32.500 0.007 0.000 0.720 395 K HN 0.465 8.735 8.250 0.032 0.000 0.450 396 S N -3.677 112.012 115.700 -0.019 0.000 2.754 396 S HA 0.187 4.623 4.470 -0.057 0.000 0.247 396 S C -0.694 173.816 174.600 -0.150 0.000 1.031 396 S CA -0.452 57.704 58.200 -0.073 0.000 1.014 396 S CB 1.201 64.352 63.200 -0.083 0.000 0.918 396 S HN -0.563 7.717 8.310 0.001 0.030 0.519 397 V N 1.186 121.016 119.914 -0.140 0.000 3.054 397 V HA 0.031 3.999 4.120 -0.255 0.000 0.227 397 V C -0.535 175.527 176.094 -0.053 0.000 1.252 397 V CA 1.567 63.734 62.300 -0.221 0.000 1.279 397 V CB 1.283 32.785 31.823 -0.535 0.000 1.118 397 V HN -0.447 7.608 8.190 -0.055 0.103 0.504 398 N N -2.653 116.071 118.700 0.040 0.000 2.451 398 N HA -0.012 4.770 4.740 0.070 0.000 0.271 398 N C -1.350 174.197 175.510 0.061 0.000 1.410 398 N CA -1.571 51.534 53.050 0.092 0.000 0.884 398 N CB 0.464 39.078 38.487 0.212 0.000 1.332 398 N HN -0.579 7.843 8.380 0.069 0.000 0.498 399 N N 1.739 120.457 118.700 0.031 0.000 2.514 399 N HA 0.187 4.939 4.740 0.020 0.000 0.277 399 N C -1.655 173.867 175.510 0.020 0.000 1.126 399 N CA -2.504 50.557 53.050 0.019 0.000 0.978 399 N CB 1.048 39.539 38.487 0.007 0.000 1.106 399 N HN -0.522 7.871 8.380 0.021 0.000 0.461 400 P HA 0.159 4.603 4.420 0.040 0.000 0.286 400 P C -1.722 175.597 177.300 0.033 0.000 1.292 400 P CA -0.984 62.140 63.100 0.039 0.000 0.842 400 P CB 2.500 34.230 31.700 0.051 0.000 1.207 401 V N -0.671 119.270 119.914 0.045 0.000 2.465 401 V HA 0.137 4.223 4.120 -0.056 0.000 0.279 401 V C -0.256 175.862 176.094 0.040 0.000 1.045 401 V CA 0.112 62.402 62.300 -0.015 0.000 0.938 401 V CB 0.821 32.586 31.823 -0.097 0.000 0.986 401 V HN 0.134 8.374 8.190 0.082 0.000 0.467 402 T N 9.692 124.262 114.554 0.028 0.000 2.797 402 T HA 0.630 5.213 4.350 0.103 -0.172 0.279 402 T C -1.038 173.731 174.700 0.115 0.000 0.991 402 T CA -0.042 62.105 62.100 0.078 0.000 0.979 402 T CB 1.622 70.525 68.868 0.058 0.000 0.943 402 T HN -0.121 8.118 8.240 -0.002 0.000 0.444 403 I N 6.755 127.425 120.570 0.166 0.000 2.406 403 I HA 0.732 5.251 4.170 0.219 -0.218 0.290 403 I C -1.478 174.750 176.117 0.185 0.000 0.999 403 I CA -1.426 59.992 61.300 0.196 0.000 1.124 403 I CB 2.827 40.938 38.000 0.185 0.000 1.289 403 I HN 0.954 9.270 8.210 0.177 0.000 0.441 404 K N 6.307 126.786 120.400 0.132 0.000 2.244 404 K HA 0.943 5.503 4.320 0.080 -0.191 0.260 404 K C -0.978 175.697 176.600 0.126 0.000 0.951 404 K CA -2.371 53.967 56.287 0.085 0.000 0.826 404 K CB 1.967 34.472 32.500 0.009 0.000 1.108 404 K HN 0.510 8.828 8.250 0.114 0.000 0.433 405 F N 1.194 121.118 119.950 -0.043 0.000 2.631 405 F HA 0.464 4.948 4.527 -0.072 0.000 0.308 405 F C -2.461 173.355 175.800 0.026 0.000 1.097 405 F CA -1.463 56.514 58.000 -0.039 0.000 0.952 405 F CB 2.795 41.765 39.000 -0.051 0.000 1.307 405 F HN 0.223 8.449 8.300 -0.123 0.000 0.450 406 T N 3.225 117.840 114.554 0.103 0.000 2.795 406 T HA 0.473 4.977 4.350 -0.110 -0.219 0.282 406 T C -0.504 174.298 174.700 0.170 0.000 0.980 406 T CA -0.315 61.797 62.100 0.019 0.000 1.012 406 T CB 0.710 69.599 68.868 0.034 0.000 0.936 406 T HN 0.162 8.525 8.240 0.206 0.000 0.457 407 A N 8.011 130.876 122.820 0.074 0.000 2.356 407 A HA 0.767 5.387 4.320 0.236 -0.159 0.323 407 A C -1.217 176.416 177.584 0.081 0.000 1.119 407 A CA -2.360 49.772 52.037 0.158 0.000 0.790 407 A CB 3.428 22.538 19.000 0.183 0.000 1.273 407 A HN 0.498 8.629 8.150 -0.031 0.000 0.452 408 T N -1.361 113.245 114.554 0.087 0.000 2.862 408 T HA 0.344 4.719 4.350 0.042 0.000 0.276 408 T C 1.182 175.909 174.700 0.046 0.000 0.974 408 T CA -2.173 59.960 62.100 0.054 0.000 0.966 408 T CB 1.411 70.310 68.868 0.052 0.000 1.072 408 T HN 0.111 8.708 8.240 0.107 -0.292 0.538 409 S N 1.712 117.431 115.700 0.031 0.000 2.419 409 S HA -0.243 4.241 4.470 0.023 0.000 0.233 409 S C 1.018 175.635 174.600 0.028 0.000 1.016 409 S CA 3.096 61.311 58.200 0.025 0.000 0.974 409 S CB -1.051 62.160 63.200 0.017 0.000 0.786 409 S HN 0.429 8.755 8.310 0.027 0.000 0.492 410 A N 0.009 122.848 122.820 0.033 0.000 2.206 410 A HA -0.088 4.247 4.320 0.026 0.000 0.211 410 A C 0.708 178.316 177.584 0.039 0.000 1.158 410 A CA 1.296 53.352 52.037 0.032 0.000 0.761 410 A CB -0.575 18.444 19.000 0.031 0.000 0.801 410 A HN -0.670 7.477 8.150 0.035 0.025 0.473 411 Q N -3.194 116.638 119.800 0.054 0.000 2.188 411 Q HA 0.190 4.697 4.340 0.056 -0.133 0.212 411 Q C 0.684 176.725 176.000 0.069 0.000 0.846 411 Q CA -0.152 55.692 55.803 0.068 0.000 0.989 411 Q CB 0.726 29.528 28.738 0.107 0.000 1.114 411 Q HN -0.544 7.591 8.270 0.057 0.169 0.488 412 T N -2.422 112.160 114.554 0.046 0.000 3.144 412 T HA 0.039 4.419 4.350 0.050 0.000 0.249 412 T C 0.080 174.789 174.700 0.014 0.000 1.089 412 T CA -0.031 62.090 62.100 0.035 0.000 0.989 412 T CB 0.523 69.405 68.868 0.023 0.000 0.992 412 T HN -0.476 7.730 8.240 0.038 0.056 0.540 413 G N 1.038 109.844 108.800 0.009 0.000 2.553 413 G HA2 -0.006 3.950 3.960 -0.006 0.000 0.278 413 G HA3 -0.006 3.947 3.960 -0.012 0.000 0.278 413 G C -1.524 173.360 174.900 -0.027 0.000 1.349 413 G CA -1.380 43.715 45.100 -0.008 0.000 1.037 413 G HN -0.424 7.824 8.290 0.016 0.052 0.508 414 A N -1.618 121.177 122.820 -0.042 0.000 2.507 414 A HA 0.091 4.564 4.320 -0.085 -0.205 0.235 414 A C -1.062 176.472 177.584 -0.085 0.000 1.070 414 A CA 0.988 52.983 52.037 -0.070 0.000 0.768 414 A CB 0.713 19.673 19.000 -0.066 0.000 1.011 414 A HN 0.032 8.160 8.150 -0.035 0.000 0.502 415 A N 0.234 122.977 122.820 -0.129 0.000 2.588 415 A HA 0.521 4.796 4.320 -0.212 -0.082 0.290 415 A C -2.163 175.245 177.584 -0.294 0.000 1.136 415 A CA -0.803 51.112 52.037 -0.203 0.000 0.681 415 A CB 3.530 22.429 19.000 -0.168 0.000 1.282 415 A HN 0.259 8.328 8.150 -0.134 0.000 0.421 416 T N 0.827 115.054 114.554 -0.545 0.000 2.812 416 T HA 0.621 4.936 4.350 -0.350 -0.174 0.282 416 T C -1.696 172.662 174.700 -0.571 0.000 0.990 416 T CA -0.544 61.196 62.100 -0.601 0.000 0.960 416 T CB 2.509 70.810 68.868 -0.944 0.000 0.948 416 T HN 0.353 8.166 8.240 -0.712 0.000 0.438 417 L N 8.108 129.183 121.223 -0.247 0.000 2.260 417 L HA 0.353 4.709 4.340 -0.183 -0.126 0.289 417 L C -2.473 174.404 176.870 0.012 0.000 1.057 417 L CA -1.021 53.750 54.840 -0.116 0.000 0.811 417 L CB 1.825 43.887 42.059 0.006 0.000 1.184 417 L HN 0.549 8.684 8.230 -0.158 0.000 0.429 418 R N 8.293 128.863 120.500 0.117 0.000 2.310 418 R HA 0.476 5.210 4.340 0.232 -0.254 0.324 418 R C -1.675 174.826 176.300 0.335 0.000 0.955 418 R CA -1.535 54.732 56.100 0.279 0.000 0.830 418 R CB 2.129 32.707 30.300 0.462 0.000 1.154 418 R HN 0.875 9.208 8.270 0.105 0.000 0.458 419 I N 7.603 128.369 120.570 0.328 0.000 2.388 419 I HA 0.319 4.708 4.170 0.364 0.000 0.281 419 I C -1.268 175.073 176.117 0.374 0.000 1.046 419 I CA -0.837 60.676 61.300 0.354 0.000 1.187 419 I CB 0.503 38.688 38.000 0.308 0.000 1.351 419 I HN 0.846 9.237 8.210 0.302 0.000 0.472 420 G N 7.101 116.161 108.800 0.434 0.000 2.372 420 G HA2 0.545 4.897 3.960 0.653 0.000 0.283 420 G HA3 0.545 4.752 3.960 0.411 0.000 0.283 420 G C -1.629 173.429 174.900 0.265 0.000 1.177 420 G CA -0.863 44.507 45.100 0.451 0.000 0.842 420 G HN 0.753 9.290 8.290 0.412 0.000 0.503 421 T N 1.656 116.321 114.554 0.185 0.000 2.910 421 T HA 0.722 5.297 4.350 0.097 -0.167 0.287 421 T C 0.549 175.318 174.700 0.115 0.000 1.050 421 T CA -2.799 59.359 62.100 0.096 0.000 1.011 421 T CB 3.538 72.390 68.868 -0.026 0.000 1.195 421 T HN 0.014 8.365 8.240 0.185 0.000 0.540 422 T N -2.888 111.723 114.554 0.094 0.000 3.056 422 T HA 0.178 4.596 4.350 0.114 0.000 0.243 422 T C -1.218 173.529 174.700 0.078 0.000 0.995 422 T CA 0.544 62.708 62.100 0.106 0.000 1.091 422 T CB 1.951 70.911 68.868 0.153 0.000 0.990 422 T HN 0.494 8.785 8.240 0.085 0.000 0.464 423 L N 1.077 122.344 121.223 0.074 0.000 2.526 423 L HA 0.344 4.712 4.340 0.047 0.000 0.263 423 L C -2.795 174.124 176.870 0.081 0.000 0.943 423 L CA 0.141 55.015 54.840 0.058 0.000 0.859 423 L CB 2.997 45.078 42.059 0.036 0.000 1.313 423 L HN -0.869 7.410 8.230 0.082 0.000 0.406 424 S N 4.260 120.012 115.700 0.086 0.000 2.681 424 S HA 0.621 5.322 4.470 0.141 -0.146 0.299 424 S C -1.437 173.257 174.600 0.156 0.000 1.113 424 S CA -1.808 56.460 58.200 0.114 0.000 1.013 424 S CB 2.602 65.850 63.200 0.080 0.000 1.076 424 S HN -0.111 8.240 8.310 0.069 0.000 0.534 425 F N 1.829 121.765 119.950 -0.023 0.000 2.569 425 F HA 0.193 4.705 4.527 -0.024 0.000 0.312 425 F C -0.599 175.189 175.800 -0.019 0.000 1.109 425 F CA -0.179 57.804 58.000 -0.028 0.000 0.919 425 F CB 3.841 42.818 39.000 -0.038 0.000 1.211 425 F HN -0.088 8.323 8.300 0.186 0.000 0.446 426 A N 6.852 129.221 122.820 -0.751 0.000 2.745 426 A HA -0.367 3.633 4.320 -0.534 0.000 0.296 426 A C -0.363 177.101 177.584 -0.200 0.000 1.500 426 A CA 0.946 52.670 52.037 -0.522 0.000 0.766 426 A CB -1.520 17.185 19.000 -0.493 0.000 1.030 426 A HN 1.203 8.742 8.150 -1.018 0.000 0.489 427 G N -6.402 102.314 108.800 -0.140 0.000 2.159 427 G HA2 -0.486 3.430 3.960 -0.073 0.000 0.256 427 G HA3 -0.486 3.438 3.960 -0.060 0.000 0.256 427 G C 0.205 175.087 174.900 -0.028 0.000 0.977 427 G CA -0.391 44.668 45.100 -0.070 0.000 0.652 427 G HN 0.381 8.561 8.290 -0.153 0.018 0.531 428 G N 0.869 109.673 108.800 0.007 0.000 2.313 428 G HA2 0.018 4.187 3.960 0.109 0.000 0.250 428 G HA3 0.018 4.154 3.960 0.045 -0.149 0.250 428 G C -1.665 173.265 174.900 0.051 0.000 1.281 428 G CA 0.043 45.183 45.100 0.066 0.000 0.917 428 G HN -0.493 7.759 8.290 0.006 0.042 0.501 429 R N 0.960 121.435 120.500 -0.041 0.000 2.734 429 R HA 0.539 4.490 4.340 -0.648 0.000 0.271 429 R C -3.461 172.617 176.300 -0.370 0.000 1.021 429 R CA -3.231 52.616 56.100 -0.422 0.000 0.893 429 R CB 0.196 30.187 30.300 -0.514 0.000 1.244 429 R HN -0.462 7.798 8.270 -0.017 0.000 0.464 430 P HA 0.549 5.181 4.420 0.019 -0.201 0.288 430 P C -0.951 176.221 177.300 -0.214 0.000 1.267 430 P CA -1.152 61.783 63.100 -0.275 0.000 0.815 430 P CB 1.240 32.753 31.700 -0.312 0.000 0.989 431 Q N 2.591 122.360 119.800 -0.052 0.000 2.337 431 Q HA 0.279 4.595 4.340 -0.041 0.000 0.270 431 Q C -1.829 174.192 176.000 0.034 0.000 1.043 431 Q CA -1.219 54.569 55.803 -0.025 0.000 0.794 431 Q CB 3.266 31.987 28.738 -0.029 0.000 1.281 431 Q HN 0.347 8.618 8.270 0.002 0.000 0.446 432 A N 6.385 129.233 122.820 0.047 0.000 2.337 432 A HA 1.088 5.690 4.320 0.114 -0.213 0.329 432 A C -1.309 176.316 177.584 0.068 0.000 1.146 432 A CA -2.164 49.930 52.037 0.095 0.000 0.800 432 A CB 3.097 22.180 19.000 0.139 0.000 1.220 432 A HN 0.539 8.709 8.150 0.032 0.000 0.472 433 T N 4.486 119.095 114.554 0.091 0.000 2.807 433 T HA 0.738 5.283 4.350 0.049 -0.165 0.279 433 T C -1.003 173.792 174.700 0.159 0.000 0.993 433 T CA -0.238 61.913 62.100 0.085 0.000 0.970 433 T CB 1.825 70.727 68.868 0.057 0.000 0.950 433 T HN 0.286 8.591 8.240 0.108 0.000 0.441 434 I N 7.078 127.773 120.570 0.209 0.000 2.411 434 I HA 0.527 5.012 4.170 0.242 -0.170 0.284 434 I C -0.593 175.647 176.117 0.205 0.000 1.012 434 I CA -1.105 60.342 61.300 0.245 0.000 1.119 434 I CB 0.601 38.778 38.000 0.294 0.000 1.261 434 I HN 0.574 8.919 8.210 0.225 0.000 0.448 435 N N 8.640 127.428 118.700 0.146 0.000 1.347 435 N HA -0.406 4.376 4.740 0.070 0.000 0.141 435 N C -0.140 175.430 175.510 0.100 0.000 0.677 435 N CA 2.534 55.642 53.050 0.097 0.000 1.016 435 N CB -1.142 37.392 38.487 0.078 0.000 1.268 435 N HN 0.803 9.269 8.380 0.144 0.000 0.487 436 S N 2.255 118.020 115.700 0.108 0.000 2.582 436 S HA -0.019 4.494 4.470 0.072 0.000 0.234 436 S C -1.665 173.018 174.600 0.138 0.000 0.961 436 S CA 0.154 58.411 58.200 0.096 0.000 0.953 436 S CB 0.675 63.918 63.200 0.073 0.000 0.800 436 S HN 0.067 8.444 8.310 0.111 0.000 0.471 437 Y N 3.509 123.832 120.300 0.039 0.000 2.331 437 Y HA 0.130 4.699 4.550 0.031 0.000 0.338 437 Y C -2.539 173.386 175.900 0.043 0.000 0.992 437 Y CA -0.199 57.924 58.100 0.038 0.000 1.121 437 Y CB 1.929 40.413 38.460 0.040 0.000 1.184 437 Y HN -0.099 8.272 8.280 0.260 0.066 0.469 438 T N 10.368 124.580 114.554 -0.571 0.000 2.770 438 T HA 0.311 4.631 4.350 -0.255 -0.123 0.283 438 T C -0.337 173.978 174.700 -0.643 0.000 0.988 438 T CA -0.797 61.047 62.100 -0.426 0.000 0.957 438 T CB 1.546 70.285 68.868 -0.215 0.000 0.930 438 T HN 0.204 8.086 8.240 -0.598 0.000 0.443 439 G N 5.955 114.537 108.800 -0.363 0.000 2.594 439 G HA2 -0.001 3.926 3.960 -0.055 0.000 0.243 439 G HA3 -0.001 3.816 3.960 -0.239 0.000 0.243 439 G C -0.674 174.150 174.900 -0.126 0.000 1.229 439 G CA -0.670 44.315 45.100 -0.193 0.000 0.843 439 G HN 0.244 8.408 8.290 -0.210 0.000 0.578 440 S N 0.485 116.149 115.700 -0.060 0.000 2.576 440 S HA -0.217 4.222 4.470 -0.051 0.000 0.272 440 S C -0.593 173.993 174.600 -0.023 0.000 1.352 440 S CA 0.432 58.611 58.200 -0.035 0.000 1.021 440 S CB 0.913 64.113 63.200 -0.002 0.000 0.887 440 S HN 0.094 8.387 8.310 -0.029 0.000 0.542 441 A N 2.067 124.872 122.820 -0.025 0.000 2.310 441 A HA 0.252 4.549 4.320 -0.038 0.000 0.300 441 A C -1.865 175.712 177.584 -0.012 0.000 1.269 441 A CA -2.205 49.815 52.037 -0.028 0.000 0.909 441 A CB -0.610 18.372 19.000 -0.030 0.000 1.144 441 A HN 0.121 8.255 8.150 -0.026 0.000 0.540 442 P HA 0.015 4.472 4.420 0.061 0.000 0.272 442 P C -1.007 176.307 177.300 0.023 0.000 1.223 442 P CA -0.695 62.430 63.100 0.043 0.000 0.784 442 P CB 0.610 32.376 31.700 0.110 0.000 0.923 443 A N 1.198 124.044 122.820 0.043 0.000 2.386 443 A HA -0.103 4.221 4.320 0.008 0.000 0.246 443 A C -0.253 177.349 177.584 0.031 0.000 1.089 443 A CA -0.073 51.979 52.037 0.024 0.000 0.790 443 A CB 0.501 19.513 19.000 0.019 0.000 1.042 443 A HN -0.052 8.130 8.150 0.054 0.000 0.497 444 A N 1.295 124.119 122.820 0.007 0.000 2.498 444 A HA -0.018 4.300 4.320 -0.003 0.000 0.239 444 A C -1.089 176.507 177.584 0.019 0.000 1.068 444 A CA -0.951 51.086 52.037 0.001 0.000 0.766 444 A CB -0.405 18.583 19.000 -0.020 0.000 1.003 444 A HN 0.100 8.249 8.150 -0.002 0.000 0.497 445 P HA 0.046 4.487 4.420 0.035 0.000 0.277 445 P C -0.708 176.590 177.300 -0.004 0.000 1.271 445 P CA -0.939 62.179 63.100 0.031 0.000 0.795 445 P CB 0.814 32.549 31.700 0.057 0.000 1.101 446 T N 1.206 115.753 114.554 -0.012 0.000 2.902 446 T HA -0.106 4.227 4.350 -0.027 0.000 0.301 446 T C -0.276 174.407 174.700 -0.029 0.000 1.012 446 T CA 1.328 63.414 62.100 -0.024 0.000 1.151 446 T CB 0.362 69.214 68.868 -0.026 0.000 0.946 446 T HN 0.145 8.378 8.240 -0.011 0.000 0.542 447 N N 4.156 122.830 118.700 -0.043 0.000 2.408 447 N HA -0.049 4.652 4.740 -0.065 0.000 0.257 447 N C 0.174 175.656 175.510 -0.046 0.000 1.064 447 N CA -0.487 52.527 53.050 -0.060 0.000 0.952 447 N CB 0.112 38.550 38.487 -0.083 0.000 1.093 447 N HN 0.124 8.479 8.380 -0.043 0.000 0.490 448 L N 4.368 125.573 121.223 -0.031 0.000 2.552 448 L HA -0.032 4.296 4.340 -0.019 0.000 0.227 448 L C -0.368 176.500 176.870 -0.003 0.000 1.146 448 L CA 0.025 54.858 54.840 -0.011 0.000 0.858 448 L CB -0.187 41.880 42.059 0.013 0.000 0.969 448 L HN 0.486 8.700 8.230 -0.028 0.000 0.451 449 D N -3.287 117.097 120.400 -0.027 0.000 2.689 449 D HA -0.313 4.294 4.640 -0.054 0.000 0.237 449 D C -1.319 175.010 176.300 0.048 0.000 1.148 449 D CA 1.479 55.468 54.000 -0.017 0.000 0.656 449 D CB -1.550 39.240 40.800 -0.016 0.000 1.050 449 D HN -0.303 8.303 8.370 -0.057 -0.271 0.426 450 S N -2.342 113.422 115.700 0.106 0.000 2.543 450 S HA 0.074 4.631 4.470 0.144 0.000 0.273 450 S C -1.247 173.512 174.600 0.265 0.000 1.152 450 S CA -0.836 57.457 58.200 0.155 0.000 0.910 450 S CB 2.149 65.416 63.200 0.113 0.000 1.105 450 S HN -0.238 8.137 8.310 0.108 0.000 0.465 451 R N 3.895 124.493 120.500 0.163 0.000 2.784 451 R HA -0.025 4.231 4.340 -0.141 0.000 0.266 451 R C -0.308 175.897 176.300 -0.159 0.000 1.044 451 R CA 0.738 56.791 56.100 -0.079 0.000 1.151 451 R CB 0.584 30.745 30.300 -0.232 0.000 1.037 451 R HN 0.275 8.615 8.270 0.116 0.000 0.478 452 G N 0.211 108.869 108.800 -0.237 0.000 3.824 452 G HA2 -0.007 3.884 3.960 -0.116 0.000 0.198 452 G HA3 -0.007 3.828 3.960 -0.209 0.000 0.198 452 G C 0.482 175.276 174.900 -0.177 0.000 1.400 452 G CA 0.633 45.623 45.100 -0.183 0.000 0.912 452 G HN 0.336 8.429 8.290 -0.328 0.000 0.638 453 V N 2.913 122.726 119.914 -0.169 0.000 2.594 453 V HA -0.218 4.012 4.120 -0.063 -0.147 0.253 453 V C 0.899 176.899 176.094 -0.156 0.000 1.069 453 V CA 2.404 64.633 62.300 -0.118 0.000 1.082 453 V CB -0.091 31.665 31.823 -0.111 0.000 0.680 453 V HN 0.296 8.372 8.190 -0.190 0.000 0.469 454 T N -7.627 106.783 114.554 -0.239 0.000 3.129 454 T HA -0.107 3.997 4.350 -0.410 0.000 0.251 454 T C -0.382 174.283 174.700 -0.058 0.000 1.117 454 T CA 1.108 63.048 62.100 -0.267 0.000 1.034 454 T CB -0.728 67.992 68.868 -0.247 0.000 0.968 454 T HN -0.021 8.024 8.240 -0.284 0.024 0.526 455 R N 0.321 120.748 120.500 -0.121 0.000 2.690 455 R HA 0.230 4.557 4.340 -0.022 0.000 0.419 455 R C -0.671 175.669 176.300 0.067 0.000 1.090 455 R CA -1.057 54.945 56.100 -0.164 0.000 1.064 455 R CB 0.104 29.897 30.300 -0.845 0.000 1.391 455 R HN -0.340 7.644 8.270 -0.170 0.184 0.586 456 G N -2.324 106.588 108.800 0.188 0.000 2.160 456 G HA2 -0.385 3.735 3.960 0.266 0.000 0.251 456 G HA3 -0.385 3.880 3.960 0.090 -0.250 0.251 456 G C -1.090 173.849 174.900 0.065 0.000 1.008 456 G CA 0.300 45.494 45.100 0.157 0.000 0.724 456 G HN -0.068 8.308 8.290 0.144 0.000 0.514 457 A N -1.475 121.342 122.820 -0.004 0.000 2.384 457 A HA 0.443 4.677 4.320 -0.143 0.000 0.312 457 A C -2.907 174.653 177.584 -0.040 0.000 1.113 457 A CA -1.344 50.629 52.037 -0.106 0.000 0.779 457 A CB 2.592 21.474 19.000 -0.197 0.000 1.307 457 A HN -0.722 7.412 8.150 -0.026 0.000 0.436 458 Y N -4.250 116.001 120.300 -0.082 0.000 2.772 458 Y HA 0.181 4.692 4.550 -0.065 0.000 0.287 458 Y C -1.324 174.540 175.900 -0.059 0.000 0.985 458 Y CA -0.796 57.262 58.100 -0.069 0.000 1.207 458 Y CB 1.073 39.491 38.460 -0.070 0.000 1.425 458 Y HN 0.286 8.073 8.280 -0.822 0.000 0.587 459 R N 4.176 124.256 120.500 -0.699 0.000 2.429 459 R HA 0.037 4.253 4.340 -0.207 0.000 0.302 459 R C -1.237 174.971 176.300 -0.153 0.000 1.268 459 R CA -0.479 55.392 56.100 -0.381 0.000 1.090 459 R CB -1.701 28.325 30.300 -0.457 0.000 1.102 459 R HN -0.328 7.404 8.270 -0.897 0.000 0.522 460 G N 2.008 110.780 108.800 -0.047 0.000 2.940 460 G HA2 0.272 4.281 3.960 0.002 0.000 0.164 460 G HA3 0.272 4.217 3.960 -0.024 0.000 0.164 460 G C -0.637 174.265 174.900 0.003 0.000 1.326 460 G CA -1.293 43.798 45.100 -0.014 0.000 1.020 460 G HN -0.564 7.721 8.290 -0.009 0.000 0.586 461 L N -0.774 120.452 121.223 0.005 0.000 2.554 461 L HA -0.087 4.252 4.340 -0.001 0.000 0.226 461 L C 0.761 177.628 176.870 -0.005 0.000 1.137 461 L CA -0.180 54.658 54.840 -0.004 0.000 0.863 461 L CB 0.093 42.142 42.059 -0.017 0.000 0.985 461 L HN 0.143 8.377 8.230 0.006 0.000 0.451 462 G N -1.054 107.756 108.800 0.017 0.000 2.246 462 G HA2 -0.402 3.577 3.960 0.033 0.000 0.273 462 G HA3 -0.402 3.780 3.960 0.069 -0.181 0.273 462 G C -0.033 174.859 174.900 -0.013 0.000 1.055 462 G CA 0.330 45.450 45.100 0.033 0.000 0.851 462 G HN -0.511 7.754 8.290 0.028 0.042 0.500 463 E N -1.468 118.699 120.200 -0.054 0.000 2.452 463 E HA -0.184 4.021 4.350 -0.243 0.000 0.261 463 E C -0.698 175.751 176.600 -0.251 0.000 0.987 463 E CA 0.811 57.083 56.400 -0.213 0.000 0.926 463 E CB 0.700 30.252 29.700 -0.245 0.000 0.934 463 E HN -0.138 8.206 8.360 -0.026 0.000 0.452 464 V N 3.086 122.771 119.914 -0.381 0.000 2.604 464 V HA 0.203 4.450 4.120 -0.024 -0.141 0.305 464 V C -0.642 175.184 176.094 -0.446 0.000 1.043 464 V CA -0.494 61.683 62.300 -0.204 0.000 0.888 464 V CB 2.047 33.856 31.823 -0.024 0.000 0.995 464 V HN 0.151 8.092 8.190 -0.415 0.000 0.429 465 Y N 6.805 127.120 120.300 0.024 0.000 2.326 465 Y HA 0.139 4.685 4.550 -0.007 0.000 0.331 465 Y C -1.411 174.519 175.900 0.050 0.000 0.962 465 Y CA -1.285 56.817 58.100 0.003 0.000 1.167 465 Y CB 2.233 40.660 38.460 -0.055 0.000 1.148 465 Y HN 0.587 8.985 8.280 0.196 0.000 0.463 466 D N 3.504 123.989 120.400 0.141 0.000 2.163 466 D HA 0.598 5.487 4.640 0.121 -0.176 0.248 466 D C -0.485 175.873 176.300 0.097 0.000 1.035 466 D CA -1.014 53.050 54.000 0.107 0.000 0.872 466 D CB 2.654 43.493 40.800 0.066 0.000 1.183 466 D HN 0.198 8.627 8.370 0.098 0.000 0.445 467 V N 3.658 123.617 119.914 0.074 0.000 2.444 467 V HA 0.207 4.388 4.120 0.102 0.000 0.294 467 V C -1.244 174.877 176.094 0.045 0.000 1.022 467 V CA -1.133 61.222 62.300 0.091 0.000 0.850 467 V CB 2.993 34.895 31.823 0.133 0.000 0.992 467 V HN 0.726 8.948 8.190 0.053 0.000 0.426 468 S N 6.172 121.907 115.700 0.058 0.000 2.448 468 S HA 0.094 4.526 4.470 -0.064 0.000 0.279 468 S C -0.143 174.437 174.600 -0.034 0.000 1.195 468 S CA -0.169 58.027 58.200 -0.007 0.000 1.051 468 S CB 0.050 63.253 63.200 0.004 0.000 0.948 468 S HN 0.355 8.718 8.310 0.089 0.000 0.493 469 I N 8.257 128.752 120.570 -0.126 0.000 2.312 469 I HA 0.352 4.266 4.170 -0.425 0.000 0.290 469 I C -2.374 173.585 176.117 -0.262 0.000 1.008 469 I CA -2.649 58.504 61.300 -0.245 0.000 1.226 469 I CB 1.500 39.425 38.000 -0.124 0.000 1.371 469 I HN 0.538 8.669 8.210 -0.130 0.000 0.468 470 P HA 0.135 4.450 4.420 -0.175 0.000 0.272 470 P C -0.591 176.616 177.300 -0.156 0.000 1.223 470 P CA -0.535 62.423 63.100 -0.237 0.000 0.784 470 P CB 0.828 32.367 31.700 -0.269 0.000 0.923 471 S N 0.954 116.596 115.700 -0.096 0.000 2.558 471 S HA -0.612 3.768 4.470 -0.052 0.059 0.293 471 S C 1.526 176.094 174.600 -0.053 0.000 1.292 471 S CA 2.047 60.211 58.200 -0.059 0.000 1.063 471 S CB 0.120 63.296 63.200 -0.040 0.000 0.831 471 S HN -0.067 8.191 8.310 -0.087 0.000 0.499 472 G N 7.828 116.608 108.800 -0.033 0.000 2.176 472 G HA2 -0.345 3.602 3.960 -0.022 0.000 0.253 472 G HA3 -0.345 3.608 3.960 -0.011 0.000 0.253 472 G C 0.158 175.046 174.900 -0.021 0.000 0.979 472 G CA 0.587 45.675 45.100 -0.021 0.000 0.641 472 G HN 0.659 8.934 8.290 -0.024 0.000 0.530 473 T N 1.470 116.001 114.554 -0.039 0.000 2.939 473 T HA -0.116 4.230 4.350 -0.008 0.000 0.254 473 T C 0.469 175.182 174.700 0.022 0.000 1.041 473 T CA 2.674 64.759 62.100 -0.025 0.000 1.142 473 T CB 0.799 69.604 68.868 -0.105 0.000 0.874 473 T HN -0.611 7.538 8.240 -0.057 0.056 0.452 474 I N 2.042 122.635 120.570 0.039 0.000 2.588 474 I HA -0.216 4.157 4.170 0.092 -0.148 0.283 474 I C -1.266 174.871 176.117 0.032 0.000 1.119 474 I CA 0.795 62.142 61.300 0.079 0.000 1.419 474 I CB 0.508 38.597 38.000 0.148 0.000 1.394 474 I HN -0.122 8.101 8.210 0.023 0.000 0.562 475 V N 2.137 122.051 119.914 -0.000 0.000 2.815 475 V HA 0.288 4.408 4.120 -0.001 0.000 0.314 475 V C -1.441 174.640 176.094 -0.022 0.000 1.064 475 V CA -3.196 59.096 62.300 -0.014 0.000 0.952 475 V CB 2.446 34.253 31.823 -0.027 0.000 1.020 475 V HN -0.071 8.416 8.190 -0.026 -0.312 0.439 476 A N 1.362 124.176 122.820 -0.010 0.000 2.492 476 A HA -0.105 4.375 4.320 0.003 -0.158 0.254 476 A C 0.047 177.613 177.584 -0.029 0.000 1.091 476 A CA 0.609 52.642 52.037 -0.007 0.000 0.768 476 A CB 0.236 19.237 19.000 0.001 0.000 1.028 476 A HN 0.135 8.282 8.150 -0.005 0.000 0.498 477 G N 5.543 114.321 108.800 -0.037 0.000 2.418 477 G HA2 -0.192 3.737 3.960 -0.053 0.000 0.206 477 G HA3 -0.192 3.743 3.960 -0.042 0.000 0.206 477 G C -1.431 173.400 174.900 -0.115 0.000 1.202 477 G CA -0.621 44.445 45.100 -0.057 0.000 1.061 477 G HN 0.318 8.594 8.290 -0.024 0.000 0.563 478 T N 5.438 119.919 114.554 -0.123 0.000 2.884 478 T HA 0.104 4.475 4.350 -0.217 -0.151 0.298 478 T C -0.658 173.885 174.700 -0.262 0.000 0.998 478 T CA 0.734 62.724 62.100 -0.183 0.000 1.124 478 T CB 0.346 69.144 68.868 -0.116 0.000 0.931 478 T HN 0.126 8.310 8.240 -0.093 0.000 0.531 479 N N 6.217 124.635 118.700 -0.470 0.000 2.312 479 N HA 0.367 5.046 4.740 -0.288 -0.112 0.296 479 N C -1.805 173.524 175.510 -0.302 0.000 1.193 479 N CA -0.781 51.965 53.050 -0.505 0.000 0.773 479 N CB 4.926 42.778 38.487 -1.059 0.000 1.435 479 N HN 0.513 8.550 8.380 -0.571 0.000 0.484 480 T N 2.680 117.195 114.554 -0.065 0.000 2.879 480 T HA 0.615 5.192 4.350 0.089 -0.173 0.290 480 T C -1.768 173.047 174.700 0.191 0.000 0.993 480 T CA -0.352 61.791 62.100 0.073 0.000 0.975 480 T CB 1.823 70.718 68.868 0.045 0.000 0.981 480 T HN 0.325 8.827 8.240 -0.037 -0.284 0.439 481 I N 7.631 128.362 120.570 0.268 0.000 2.404 481 I HA 0.695 5.237 4.170 0.257 -0.218 0.293 481 I C -1.313 174.926 176.117 0.204 0.000 0.992 481 I CA -1.420 60.046 61.300 0.276 0.000 1.149 481 I CB 3.166 41.387 38.000 0.368 0.000 1.315 481 I HN 0.939 9.315 8.210 0.277 0.000 0.446 482 T N 9.265 123.921 114.554 0.170 0.000 2.792 482 T HA 0.567 5.160 4.350 0.135 -0.162 0.280 482 T C -0.921 173.872 174.700 0.155 0.000 0.990 482 T CA -0.404 61.779 62.100 0.138 0.000 0.960 482 T CB 1.367 70.293 68.868 0.097 0.000 0.939 482 T HN 0.685 9.025 8.240 0.167 0.000 0.439 483 I N 7.898 128.574 120.570 0.177 0.000 2.359 483 I HA 0.183 4.599 4.170 0.198 -0.127 0.284 483 I C -2.011 174.210 176.117 0.173 0.000 1.018 483 I CA -0.881 60.551 61.300 0.220 0.000 1.173 483 I CB 0.866 39.085 38.000 0.366 0.000 1.326 483 I HN 0.847 9.159 8.210 0.169 0.000 0.462 484 N N 7.882 126.658 118.700 0.126 0.000 2.473 484 N HA 0.486 5.446 4.740 0.075 -0.175 0.291 484 N C -1.422 174.149 175.510 0.100 0.000 1.083 484 N CA -0.626 52.475 53.050 0.085 0.000 0.951 484 N CB 3.323 41.838 38.487 0.048 0.000 1.164 484 N HN 0.098 8.545 8.380 0.112 0.000 0.480 485 V N 4.635 124.592 119.914 0.072 0.000 2.461 485 V HA 0.360 4.766 4.120 0.169 -0.186 0.275 485 V C -0.519 175.594 176.094 0.032 0.000 1.047 485 V CA -0.942 61.410 62.300 0.086 0.000 0.955 485 V CB 1.099 32.921 31.823 -0.002 0.000 0.988 485 V HN -0.221 8.287 8.190 0.038 -0.296 0.471 486 I N 4.875 125.454 120.570 0.015 0.000 2.562 486 I HA 0.506 4.673 4.170 -0.005 0.000 0.301 486 I C -2.011 174.097 176.117 -0.016 0.000 1.003 486 I CA -1.649 59.645 61.300 -0.009 0.000 1.127 486 I CB 2.830 40.815 38.000 -0.025 0.000 1.304 486 I HN 0.463 8.679 8.210 0.010 0.000 0.446 487 S N 1.373 117.062 115.700 -0.018 0.000 2.608 487 S HA 0.070 4.522 4.470 -0.029 0.000 0.285 487 S C 0.383 174.968 174.600 -0.025 0.000 1.108 487 S CA -0.869 57.316 58.200 -0.025 0.000 0.858 487 S CB 2.107 65.293 63.200 -0.024 0.000 1.077 487 S HN 0.143 8.443 8.310 -0.016 0.000 0.450 488 G N 3.273 112.055 108.800 -0.030 0.000 2.744 488 G HA2 0.105 4.048 3.960 -0.029 0.000 0.211 488 G HA3 0.105 4.051 3.960 -0.024 0.000 0.211 488 G C -0.205 174.676 174.900 -0.031 0.000 1.143 488 G CA 0.224 45.307 45.100 -0.028 0.000 0.788 488 G HN 0.510 8.780 8.290 -0.033 0.000 0.534 489 S N 1.523 117.200 115.700 -0.038 0.000 2.669 489 S HA 0.311 4.757 4.470 -0.041 0.000 0.270 489 S C -1.154 173.431 174.600 -0.025 0.000 1.225 489 S CA -0.092 58.082 58.200 -0.043 0.000 0.991 489 S CB 1.876 65.031 63.200 -0.075 0.000 0.987 489 S HN -0.483 7.750 8.310 -0.041 0.052 0.552 490 S N -1.297 114.392 115.700 -0.018 0.000 2.618 490 S HA 0.126 4.596 4.470 -0.000 0.000 0.277 490 S C -1.114 173.495 174.600 0.014 0.000 1.138 490 S CA -0.880 57.317 58.200 -0.004 0.000 0.844 490 S CB 2.748 65.941 63.200 -0.011 0.000 1.127 490 S HN 0.036 8.332 8.310 -0.023 0.000 0.474 491 G N 0.400 109.212 108.800 0.021 0.000 2.601 491 G HA2 0.034 4.153 3.960 0.079 0.000 0.291 491 G HA3 0.034 4.013 3.960 0.032 0.000 0.291 491 G C -3.138 171.758 174.900 -0.007 0.000 1.456 491 G CA 0.186 45.307 45.100 0.036 0.000 0.804 491 G HN 0.116 8.411 8.290 0.009 0.000 0.499 492 D N 1.031 121.419 120.400 -0.019 0.000 2.304 492 D HA 0.262 4.854 4.640 -0.079 0.000 0.250 492 D C 0.876 177.097 176.300 -0.132 0.000 1.107 492 D CA 0.362 54.321 54.000 -0.068 0.000 0.885 492 D CB 0.681 41.449 40.800 -0.053 0.000 1.192 492 D HN 0.059 8.428 8.370 -0.001 0.000 0.436 493 T N -0.179 114.229 114.554 -0.243 0.000 8.188 493 T HA -0.501 3.516 4.350 -0.556 0.000 0.253 493 T C 0.500 174.826 174.700 -0.623 0.000 1.618 493 T CA 2.753 64.535 62.100 -0.531 0.000 1.500 493 T CB -1.121 67.363 68.868 -0.641 0.000 1.763 493 T HN 0.509 8.621 8.240 -0.214 0.000 0.450 494 Y N -0.090 119.971 120.300 -0.400 0.000 2.578 494 Y HA -0.038 3.942 4.550 -0.950 0.000 0.297 494 Y C 0.642 176.417 175.900 -0.208 0.000 1.176 494 Y CA 1.196 58.946 58.100 -0.584 0.000 1.315 494 Y CB -0.731 37.282 38.460 -0.745 0.000 1.031 494 Y HN 0.183 8.142 8.280 -0.535 0.000 0.524 495 L N -4.187 117.018 121.223 -0.029 0.000 2.628 495 L HA 0.177 4.479 4.340 -0.064 0.000 0.229 495 L C 0.039 177.054 176.870 0.242 0.000 1.137 495 L CA -0.672 54.211 54.840 0.070 0.000 0.909 495 L CB -0.142 41.969 42.059 0.087 0.000 1.137 495 L HN -0.329 7.819 8.230 -0.059 0.046 0.470 496 S N 2.449 118.230 115.700 0.134 0.000 2.593 496 S HA 0.051 4.666 4.470 0.119 -0.073 0.269 496 S C -1.450 173.292 174.600 0.237 0.000 1.334 496 S CA -2.241 56.041 58.200 0.137 0.000 1.015 496 S CB -0.958 62.267 63.200 0.041 0.000 0.912 496 S HN -0.498 7.690 8.310 0.044 0.148 0.541 497 P HA 0.001 4.699 4.420 0.160 -0.182 0.264 497 P C -1.454 175.886 177.300 0.067 0.000 1.183 497 P CA 0.828 63.998 63.100 0.118 0.000 0.763 497 P CB 0.265 31.983 31.700 0.030 0.000 0.807 498 N N -0.560 118.160 118.700 0.034 0.000 2.927 498 N HA 0.732 5.390 4.740 -0.326 -0.114 0.248 498 N C -2.209 173.207 175.510 -0.156 0.000 1.443 498 N CA -0.650 52.253 53.050 -0.245 0.000 0.870 498 N CB 4.139 42.270 38.487 -0.593 0.000 1.444 498 N HN -0.079 8.368 8.380 0.110 0.000 0.519 499 F N -6.527 113.192 119.950 -0.385 0.000 2.645 499 F HA 0.881 5.425 4.527 -0.248 -0.166 0.310 499 F C -2.488 173.045 175.800 -0.445 0.000 1.102 499 F CA -2.003 55.792 58.000 -0.341 0.000 0.952 499 F CB 3.276 42.101 39.000 -0.292 0.000 1.326 499 F HN -0.155 7.547 8.300 -0.997 0.000 0.456 500 I N -0.650 119.861 120.570 -0.098 0.000 2.353 500 I HA 0.294 4.472 4.170 -0.212 -0.135 0.293 500 I C -0.573 175.517 176.117 -0.045 0.000 0.992 500 I CA -1.036 60.190 61.300 -0.123 0.000 1.268 500 I CB 1.768 39.749 38.000 -0.032 0.000 1.387 500 I HN -0.024 8.203 8.210 0.028 0.000 0.478 501 F N 6.479 126.393 119.950 -0.060 0.000 2.429 501 F HA -0.033 4.556 4.527 0.103 0.000 0.348 501 F C -0.306 175.260 175.800 -0.389 0.000 1.109 501 F CA 1.665 59.581 58.000 -0.141 0.000 1.232 501 F CB 0.935 39.771 39.000 -0.273 0.000 1.157 501 F HN 0.259 8.600 8.300 0.068 0.000 0.564 502 D N 0.706 121.094 120.400 -0.019 0.000 2.652 502 D HA 0.136 4.878 4.640 -0.152 -0.193 0.261 502 D C -0.531 175.651 176.300 -0.198 0.000 1.024 502 D CA -0.294 53.646 54.000 -0.100 0.000 0.958 502 D CB 3.064 43.917 40.800 0.089 0.000 1.113 502 D HN 0.323 8.648 8.370 0.109 0.111 0.471 503 C N -3.324 115.817 119.300 -0.265 0.000 3.199 503 C HA 0.445 4.906 4.460 -0.282 -0.171 0.392 503 C C -2.510 172.277 174.990 -0.339 0.000 1.050 503 C CA -1.547 57.133 59.018 -0.564 0.000 1.222 503 C CB 2.483 29.210 27.740 -1.689 0.000 1.595 503 C HN -0.551 7.607 8.230 -0.120 0.000 0.560 504 V N 6.655 126.429 119.914 -0.233 0.000 2.409 504 V HA 0.827 5.214 4.120 0.100 -0.206 0.291 504 V C -2.039 174.035 176.094 -0.033 0.000 1.020 504 V CA -1.340 60.945 62.300 -0.025 0.000 0.848 504 V CB 2.007 33.832 31.823 0.003 0.000 0.990 504 V HN 0.260 8.268 8.190 -0.304 0.000 0.430 505 E N 7.625 127.859 120.200 0.057 0.000 2.275 505 E HA 0.592 4.987 4.350 -0.182 -0.154 0.270 505 E C -2.670 173.841 176.600 -0.148 0.000 0.882 505 E CA -1.877 54.512 56.400 -0.018 0.000 0.758 505 E CB 4.578 34.443 29.700 0.276 0.000 1.195 505 E HN 0.440 8.898 8.360 0.164 0.000 0.419 506 L N 7.024 127.873 121.223 -0.625 0.000 2.298 506 L HA 0.873 5.126 4.340 -0.454 -0.185 0.284 506 L C -2.256 174.440 176.870 -0.289 0.000 1.013 506 L CA -1.114 53.351 54.840 -0.625 0.000 0.824 506 L CB 2.473 43.823 42.059 -1.181 0.000 1.221 506 L HN 0.150 7.814 8.230 -0.944 0.000 0.418 507 F N 3.919 123.736 119.950 -0.221 0.000 2.629 507 F HA 0.883 5.452 4.527 -0.142 -0.127 0.316 507 F C -2.607 173.142 175.800 -0.086 0.000 1.081 507 F CA -2.595 55.325 58.000 -0.134 0.000 0.954 507 F CB 2.984 41.930 39.000 -0.090 0.000 1.337 507 F HN 0.613 8.544 8.300 -0.615 0.000 0.474 508 Q N 0.000 119.890 119.800 0.150 0.000 2.315 508 Q HA 0.000 4.317 4.340 -0.039 0.000 0.214 508 Q CA 0.000 55.838 55.803 0.058 0.000 1.022 508 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 508 Q HN 0.000 8.302 8.270 0.227 0.104 0.481