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 2gc3_1_A DATA FIRST_RESID 0 DATA SEQUENCE MMYKEPFGVK VDFETGIIEG AKKSVRRLSD MEGYFVDERA WKELVEKEDP DATA SEQUENCE VVYEVYAVEQ EEKEGDLNFA TTVLYPGKVG KEFFFTKGHF HAKLDRAEVY DATA SEQUENCE VALKGKGGML LQTPEGDAKW ISMEPGTVVY VPPYWAHRTV NIGDEPFIFL DATA SEQUENCE AIYPADAGHD YGTIAEKGFS KIVIEENGEV KVVDNPRW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 0 M C 0.000 175.961 176.300 -0.565 0.000 1.140 0 M CA 0.000 55.097 55.300 -0.338 0.000 0.988 0 M CB 0.000 32.407 32.600 -0.322 0.000 1.302 1 M N 1.706 121.037 119.600 -0.449 0.000 2.180 1 M HA 0.499 4.980 4.480 0.001 0.000 0.358 1 M C -1.894 174.120 176.300 -0.478 0.000 1.233 1 M CA -0.169 54.915 55.300 -0.360 0.000 1.114 1 M CB 0.893 33.401 32.600 -0.153 0.000 1.594 1 M HN 0.532 8.822 8.290 -0.000 0.000 0.467 2 Y N 1.682 121.994 120.300 0.019 0.000 2.429 2 Y HA 0.436 4.987 4.550 0.001 0.000 0.342 2 Y C -0.131 175.788 175.900 0.032 0.000 1.004 2 Y CA -1.122 56.992 58.100 0.022 0.000 1.075 2 Y CB 1.277 39.748 38.460 0.019 0.000 1.214 2 Y HN 0.498 8.778 8.280 -0.000 0.000 0.455 3 K N 1.025 121.544 120.400 0.198 0.000 2.168 3 K HA 0.167 4.488 4.320 0.001 0.000 0.258 3 K C -0.491 176.203 176.600 0.155 0.000 1.010 3 K CA -0.712 55.663 56.287 0.148 0.000 0.929 3 K CB 0.582 33.163 32.500 0.134 0.000 0.998 3 K HN 0.509 8.759 8.250 -0.000 0.000 0.479 4 E N 2.472 122.767 120.200 0.159 0.000 2.290 4 E HA 0.121 4.472 4.350 0.001 0.000 0.277 4 E C -2.329 174.399 176.600 0.213 0.000 1.035 4 E CA -1.799 54.700 56.400 0.165 0.000 0.873 4 E CB 0.406 30.200 29.700 0.156 0.000 1.029 4 E HN 0.179 8.539 8.360 -0.000 0.000 0.419 5 P HA 0.204 4.624 4.420 -0.000 0.000 0.271 5 P C -1.168 176.222 177.300 0.151 0.000 1.218 5 P CA 0.002 63.123 63.100 0.035 0.000 0.780 5 P CB 0.255 31.945 31.700 -0.015 0.000 0.901 6 F N -1.344 118.632 119.950 0.042 0.000 2.645 6 F HA 0.790 5.318 4.527 0.001 0.000 0.310 6 F C -0.392 175.435 175.800 0.045 0.000 1.102 6 F CA -1.204 56.824 58.000 0.045 0.000 0.952 6 F CB 1.093 40.129 39.000 0.060 0.000 1.326 6 F HN 0.374 8.674 8.300 -0.000 0.000 0.456 7 G N 0.745 109.696 108.800 0.253 0.000 2.452 7 G HA2 0.657 4.617 3.960 0.001 0.000 0.324 7 G HA3 0.657 4.617 3.960 0.001 0.000 0.324 7 G C -1.488 173.584 174.900 0.287 0.000 1.214 7 G CA -0.898 44.304 45.100 0.171 0.000 0.947 7 G HN 1.322 9.612 8.290 -0.000 0.000 0.478 8 V N -0.818 119.256 119.914 0.267 0.000 2.823 8 V HA 0.671 4.791 4.120 0.001 0.000 0.312 8 V C -0.335 175.842 176.094 0.137 0.000 1.072 8 V CA -1.586 60.854 62.300 0.233 0.000 0.937 8 V CB 1.853 33.878 31.823 0.337 0.000 1.013 8 V HN 0.642 8.832 8.190 -0.000 0.000 0.430 9 K N 2.309 122.764 120.400 0.092 0.000 2.276 9 K HA 0.644 4.964 4.320 0.001 0.000 0.283 9 K C -0.896 175.749 176.600 0.075 0.000 1.044 9 K CA -0.390 55.927 56.287 0.051 0.000 0.944 9 K CB 1.738 34.245 32.500 0.012 0.000 1.012 9 K HN 0.635 8.885 8.250 -0.000 0.000 0.472 10 V N 3.129 123.104 119.914 0.102 0.000 2.435 10 V HA 0.062 4.183 4.120 0.001 0.000 0.290 10 V C -0.177 176.021 176.094 0.173 0.000 1.030 10 V CA -0.732 61.666 62.300 0.163 0.000 0.881 10 V CB 1.507 33.493 31.823 0.272 0.000 0.983 10 V HN 0.728 8.918 8.190 -0.000 0.000 0.445 11 D N 3.633 124.103 120.400 0.116 0.000 2.339 11 D HA 0.194 4.835 4.640 0.001 0.000 0.241 11 D C 0.470 176.923 176.300 0.255 0.000 1.183 11 D CA -0.240 53.824 54.000 0.106 0.000 0.859 11 D CB 1.012 41.816 40.800 0.008 0.000 1.067 11 D HN 0.340 8.710 8.370 -0.000 0.000 0.484 12 F N 2.015 121.945 119.950 -0.033 0.000 2.407 12 F HA -0.036 4.492 4.527 0.002 0.000 0.299 12 F C 2.158 177.944 175.800 -0.022 0.000 1.097 12 F CA 0.435 58.421 58.000 -0.023 0.000 1.422 12 F CB -0.093 38.901 39.000 -0.011 0.000 1.067 12 F HN 0.439 8.739 8.300 -0.000 0.000 0.539 13 E N -0.603 119.692 120.200 0.159 0.000 2.112 13 E HA -0.091 4.260 4.350 0.001 0.000 0.190 13 E C 2.163 178.781 176.600 0.030 0.000 0.979 13 E CA 1.863 58.308 56.400 0.075 0.000 0.814 13 E CB -0.578 29.152 29.700 0.049 0.000 0.762 13 E HN 0.452 8.812 8.360 -0.000 0.000 0.460 14 T N -4.151 110.413 114.554 0.017 0.000 2.969 14 T HA 0.335 4.686 4.350 0.001 0.000 0.250 14 T C 1.573 176.245 174.700 -0.045 0.000 1.021 14 T CA 0.767 62.856 62.100 -0.018 0.000 1.003 14 T CB 0.757 69.609 68.868 -0.028 0.000 1.040 14 T HN 0.217 8.457 8.240 -0.000 0.000 0.492 15 G N 1.782 110.552 108.800 -0.049 0.000 2.184 15 G HA2 -0.220 3.740 3.960 0.001 0.000 0.264 15 G HA3 -0.220 3.740 3.960 0.001 0.000 0.264 15 G C 0.071 174.822 174.900 -0.247 0.000 0.975 15 G CA 0.177 45.225 45.100 -0.086 0.000 0.642 15 G HN 0.683 8.973 8.290 -0.000 0.000 0.536 16 I N 1.269 121.615 120.570 -0.374 0.000 2.588 16 I HA 0.317 4.488 4.170 0.001 0.000 0.283 16 I C 0.747 176.609 176.117 -0.424 0.000 1.119 16 I CA 0.044 60.883 61.300 -0.768 0.000 1.419 16 I CB 0.748 38.442 38.000 -0.510 0.000 1.394 16 I HN 0.014 8.224 8.210 -0.000 0.000 0.562 17 I N 6.182 126.481 120.570 -0.451 0.000 2.382 17 I HA 0.208 4.379 4.170 0.001 0.000 0.285 17 I C -0.062 176.035 176.117 -0.034 0.000 1.007 17 I CA -0.800 60.450 61.300 -0.083 0.000 1.142 17 I CB 1.026 39.082 38.000 0.093 0.000 1.289 17 I HN 0.483 8.693 8.210 -0.000 0.000 0.453 18 E N 4.540 124.731 120.200 -0.014 0.000 2.384 18 E HA 0.182 4.532 4.350 0.001 0.000 0.266 18 E C 1.133 177.749 176.600 0.027 0.000 1.012 18 E CA 0.691 57.098 56.400 0.011 0.000 0.901 18 E CB 1.091 30.793 29.700 0.003 0.000 0.967 18 E HN 0.952 9.312 8.360 -0.000 0.000 0.435 19 G N 1.918 110.735 108.800 0.029 0.000 2.225 19 G HA2 -0.306 3.655 3.960 0.001 0.000 0.254 19 G HA3 -0.306 3.655 3.960 0.001 0.000 0.254 19 G C 0.547 175.449 174.900 0.002 0.000 0.988 19 G CA 0.193 45.293 45.100 0.000 0.000 0.625 19 G HN 0.816 9.106 8.290 -0.000 0.000 0.527 20 A N 0.043 122.893 122.820 0.049 0.000 2.346 20 A HA 0.639 4.960 4.320 0.001 0.000 0.252 20 A C 0.635 178.254 177.584 0.059 0.000 1.089 20 A CA 0.744 52.811 52.037 0.052 0.000 0.797 20 A CB 0.328 19.398 19.000 0.116 0.000 1.047 20 A HN 0.692 8.842 8.150 -0.000 0.000 0.494 21 K N 1.072 121.482 120.400 0.016 0.000 2.315 21 K HA 0.110 4.431 4.320 0.001 0.000 0.291 21 K C -0.043 176.535 176.600 -0.037 0.000 1.074 21 K CA 0.031 56.313 56.287 -0.008 0.000 0.936 21 K CB 0.112 32.600 32.500 -0.020 0.000 1.049 21 K HN 0.581 8.831 8.250 -0.000 0.000 0.471 22 K N 2.774 123.130 120.400 -0.073 0.000 2.258 22 K HA 0.147 4.468 4.320 0.001 0.000 0.284 22 K C -1.087 175.386 176.600 -0.212 0.000 1.051 22 K CA -0.352 55.787 56.287 -0.247 0.000 0.923 22 K CB 0.937 33.293 32.500 -0.240 0.000 1.046 22 K HN 0.510 8.760 8.250 -0.000 0.000 0.474 23 S N 2.175 117.721 115.700 -0.257 0.000 2.532 23 S HA 0.485 4.956 4.470 0.001 0.000 0.301 23 S C -1.025 173.419 174.600 -0.260 0.000 1.083 23 S CA -0.876 57.197 58.200 -0.211 0.000 1.025 23 S CB 1.977 65.074 63.200 -0.171 0.000 1.056 23 S HN 0.386 8.696 8.310 -0.000 0.000 0.494 24 V N 3.092 122.861 119.914 -0.242 0.000 2.540 24 V HA 0.534 4.655 4.120 0.001 0.000 0.302 24 V C -0.476 175.416 176.094 -0.335 0.000 1.035 24 V CA -0.854 61.285 62.300 -0.268 0.000 0.873 24 V CB 1.632 33.337 31.823 -0.196 0.000 0.992 24 V HN 0.722 8.912 8.190 -0.000 0.000 0.428 25 R N 4.246 124.448 120.500 -0.497 0.000 2.310 25 R HA 0.575 4.916 4.340 0.001 0.000 0.324 25 R C -0.284 175.803 176.300 -0.356 0.000 0.955 25 R CA -0.523 55.270 56.100 -0.513 0.000 0.830 25 R CB 1.897 31.636 30.300 -0.935 0.000 1.154 25 R HN 0.655 8.925 8.270 -0.000 0.000 0.458 26 R N 1.062 121.420 120.500 -0.236 0.000 2.549 26 R HA 0.215 4.556 4.340 0.001 0.000 0.259 26 R C 1.431 177.648 176.300 -0.137 0.000 1.095 26 R CA -0.852 55.133 56.100 -0.192 0.000 1.148 26 R CB 0.624 30.830 30.300 -0.156 0.000 1.181 26 R HN 0.224 8.494 8.270 -0.000 0.000 0.571 27 L N 1.161 122.289 121.223 -0.159 0.000 2.079 27 L HA -0.205 4.136 4.340 0.001 0.000 0.210 27 L C 2.184 179.137 176.870 0.139 0.000 1.081 27 L CA 2.074 56.863 54.840 -0.085 0.000 0.752 27 L CB -0.628 41.261 42.059 -0.284 0.000 0.896 27 L HN 0.816 9.046 8.230 -0.000 0.000 0.433 28 S N -1.908 113.792 115.700 -0.000 0.000 2.465 28 S HA -0.174 4.297 4.470 0.001 0.000 0.241 28 S C 1.444 176.191 174.600 0.245 0.000 1.000 28 S CA 1.237 59.520 58.200 0.138 0.000 0.964 28 S CB -0.635 62.561 63.200 -0.007 0.000 0.763 28 S HN 0.511 8.821 8.310 -0.000 0.000 0.512 29 D N 0.907 121.383 120.400 0.126 0.000 2.349 29 D HA 0.183 4.823 4.640 0.001 0.000 0.224 29 D C 0.540 176.900 176.300 0.101 0.000 1.029 29 D CA 0.563 54.600 54.000 0.063 0.000 0.879 29 D CB 0.047 40.806 40.800 -0.070 0.000 0.906 29 D HN 0.523 8.893 8.370 -0.000 0.000 0.528 30 M N 0.717 120.476 119.600 0.266 0.000 3.004 30 M HA 0.133 4.614 4.480 0.001 0.000 0.365 30 M C 0.025 176.506 176.300 0.300 0.000 1.317 30 M CA -0.282 55.171 55.300 0.255 0.000 0.821 30 M CB 1.358 34.101 32.600 0.238 0.000 1.387 30 M HN -0.224 8.066 8.290 -0.000 0.000 0.501 31 E N 0.564 120.828 120.200 0.108 0.000 2.414 31 E HA 0.215 4.566 4.350 0.001 0.000 0.263 31 E C 1.176 177.641 176.600 -0.226 0.000 1.000 31 E CA 1.194 57.283 56.400 -0.517 0.000 0.914 31 E CB 0.528 30.026 29.700 -0.338 0.000 0.948 31 E HN 0.628 8.988 8.360 -0.000 0.000 0.444 32 G N 3.127 111.682 108.800 -0.408 0.000 2.143 32 G HA2 -0.318 3.643 3.960 0.001 0.000 0.248 32 G HA3 -0.318 3.643 3.960 0.001 0.000 0.248 32 G C 0.233 174.993 174.900 -0.234 0.000 0.991 32 G CA 0.676 45.623 45.100 -0.254 0.000 0.689 32 G HN 0.655 8.945 8.290 -0.000 0.000 0.522 33 Y N -1.175 119.065 120.300 -0.100 0.000 2.500 33 Y HA 0.505 5.055 4.550 0.001 0.000 0.284 33 Y C 1.421 177.326 175.900 0.008 0.000 1.118 33 Y CA 0.191 58.279 58.100 -0.020 0.000 1.241 33 Y CB 0.324 38.783 38.460 -0.001 0.000 1.171 33 Y HN 0.214 8.494 8.280 -0.000 0.000 0.540 34 F N -1.101 119.010 119.950 0.268 0.000 2.397 34 F HA 0.257 4.783 4.527 -0.001 0.000 0.331 34 F C 1.104 177.002 175.800 0.164 0.000 1.090 34 F CA -0.637 57.523 58.000 0.266 0.000 1.065 34 F CB 1.045 40.160 39.000 0.193 0.000 1.184 34 F HN -0.370 7.930 8.300 -0.000 0.000 0.499 35 V N -0.040 120.089 119.914 0.358 0.000 2.287 35 V HA -0.242 3.879 4.120 0.001 0.000 0.248 35 V C 0.839 177.046 176.094 0.189 0.000 1.053 35 V CA 1.750 64.183 62.300 0.221 0.000 1.027 35 V CB -0.388 31.550 31.823 0.191 0.000 0.646 35 V HN 0.685 8.875 8.190 -0.000 0.000 0.447 36 D N -0.289 120.241 120.400 0.216 0.000 2.494 36 D HA 0.106 4.747 4.640 0.001 0.000 0.217 36 D C 1.079 177.504 176.300 0.209 0.000 1.153 36 D CA -0.037 54.064 54.000 0.168 0.000 0.954 36 D CB 1.278 42.155 40.800 0.129 0.000 1.034 36 D HN 0.236 8.606 8.370 -0.000 0.000 0.518 37 E N 2.688 122.998 120.200 0.183 0.000 2.152 37 E HA -0.064 4.287 4.350 0.001 0.000 0.192 37 E C 1.744 178.514 176.600 0.285 0.000 0.983 37 E CA 0.941 57.476 56.400 0.226 0.000 0.818 37 E CB 0.269 30.039 29.700 0.117 0.000 0.758 37 E HN 0.379 8.739 8.360 -0.000 0.000 0.467 38 R N -0.404 120.205 120.500 0.181 0.000 2.075 38 R HA -0.027 4.314 4.340 0.001 0.000 0.232 38 R C 2.295 178.668 176.300 0.122 0.000 1.126 38 R CA 1.069 57.254 56.100 0.141 0.000 0.963 38 R CB -0.349 30.004 30.300 0.088 0.000 0.858 38 R HN 0.169 8.439 8.270 -0.000 0.000 0.435 39 A N 0.653 123.543 122.820 0.116 0.000 1.908 39 A HA -0.221 4.100 4.320 0.001 0.000 0.218 39 A C 1.900 179.526 177.584 0.070 0.000 1.181 39 A CA 1.336 53.414 52.037 0.069 0.000 0.627 39 A CB -0.906 18.128 19.000 0.057 0.000 0.818 39 A HN 0.610 8.760 8.150 -0.000 0.000 0.445 40 W N 0.927 122.211 121.300 -0.027 0.000 2.333 40 W HA -0.261 4.399 4.660 -0.000 0.000 0.316 40 W C 2.183 178.688 176.519 -0.023 0.000 1.215 40 W CA 2.575 59.894 57.345 -0.045 0.000 1.278 40 W CB -0.146 29.337 29.460 0.039 0.000 1.154 40 W HN 0.250 8.430 8.180 -0.000 0.000 0.486 41 K N 0.734 121.221 120.400 0.145 0.000 2.026 41 K HA -0.255 4.066 4.320 0.001 0.000 0.208 41 K C 2.137 178.621 176.600 -0.194 0.000 1.048 41 K CA 2.232 58.477 56.287 -0.070 0.000 0.929 41 K CB -0.733 31.875 32.500 0.181 0.000 0.713 41 K HN 0.350 8.600 8.250 -0.000 0.000 0.439 42 E N -0.402 119.740 120.200 -0.097 0.000 2.077 42 E HA -0.187 4.164 4.350 0.001 0.000 0.193 42 E C 1.817 178.326 176.600 -0.151 0.000 0.989 42 E CA 1.023 57.366 56.400 -0.096 0.000 0.800 42 E CB -0.073 29.599 29.700 -0.047 0.000 0.746 42 E HN 0.220 8.580 8.360 -0.000 0.000 0.452 43 L N 0.459 121.566 121.223 -0.194 0.000 2.093 43 L HA -0.116 4.225 4.340 0.001 0.000 0.208 43 L C 2.274 178.972 176.870 -0.286 0.000 1.085 43 L CA 1.145 55.860 54.840 -0.208 0.000 0.755 43 L CB -0.504 41.438 42.059 -0.195 0.000 0.904 43 L HN 0.052 8.282 8.230 -0.000 0.000 0.435 44 V N -0.419 119.211 119.914 -0.474 0.000 2.343 44 V HA -0.273 3.848 4.120 0.001 0.000 0.247 44 V C 2.451 178.370 176.094 -0.291 0.000 1.051 44 V CA 1.816 63.825 62.300 -0.485 0.000 1.036 44 V CB -0.514 30.811 31.823 -0.829 0.000 0.654 44 V HN 0.486 8.676 8.190 -0.000 0.000 0.451 45 E N -0.175 119.878 120.200 -0.245 0.000 2.106 45 E HA -0.218 4.133 4.350 0.001 0.000 0.192 45 E C 2.290 178.823 176.600 -0.113 0.000 0.984 45 E CA 1.088 57.398 56.400 -0.149 0.000 0.806 45 E CB -0.116 29.516 29.700 -0.113 0.000 0.750 45 E HN 0.559 8.919 8.360 -0.000 0.000 0.458 46 K N 0.036 120.367 120.400 -0.114 0.000 2.116 46 K HA -0.102 4.219 4.320 0.001 0.000 0.203 46 K C 1.945 178.498 176.600 -0.078 0.000 1.052 46 K CA 1.186 57.423 56.287 -0.083 0.000 0.952 46 K CB 0.242 32.698 32.500 -0.073 0.000 0.729 46 K HN 0.065 8.315 8.250 -0.000 0.000 0.446 47 E N -0.412 119.730 120.200 -0.097 0.000 2.652 47 E HA -0.088 4.263 4.350 0.001 0.000 0.197 47 E C -0.942 175.598 176.600 -0.101 0.000 0.936 47 E CA 0.154 56.506 56.400 -0.081 0.000 1.638 47 E CB 0.642 30.306 29.700 -0.059 0.000 1.884 47 E HN 0.006 8.366 8.360 -0.000 0.000 1.005 48 D N 2.728 123.041 120.400 -0.146 0.000 2.980 48 D HA -0.116 4.525 4.640 0.001 0.000 0.218 48 D C -2.456 173.762 176.300 -0.136 0.000 1.225 48 D CA 0.546 54.443 54.000 -0.172 0.000 0.804 48 D CB 0.070 40.771 40.800 -0.165 0.000 0.906 48 D HN 0.169 8.539 8.370 -0.000 0.000 0.396 49 P HA 0.121 4.541 4.420 -0.000 0.000 0.274 49 P C -0.064 177.146 177.300 -0.150 0.000 1.237 49 P CA -0.650 62.404 63.100 -0.075 0.000 0.793 49 P CB 0.771 32.511 31.700 0.066 0.000 0.977 50 V N 2.484 122.267 119.914 -0.218 0.000 2.585 50 V HA -0.049 4.071 4.120 0.001 0.000 0.296 50 V C 1.800 177.734 176.094 -0.267 0.000 1.035 50 V CA 0.343 62.437 62.300 -0.344 0.000 1.084 50 V CB 0.729 32.191 31.823 -0.601 0.000 0.953 50 V HN 0.357 8.547 8.190 -0.000 0.000 0.483 51 V N 4.676 124.467 119.914 -0.204 0.000 2.436 51 V HA 0.146 4.266 4.120 0.001 0.000 0.240 51 V C 0.230 176.560 176.094 0.395 0.000 1.040 51 V CA 0.994 63.268 62.300 -0.044 0.000 1.052 51 V CB -0.267 31.467 31.823 -0.148 0.000 0.707 51 V HN 0.931 9.121 8.190 -0.000 0.000 0.469 52 Y N -1.414 118.938 120.300 0.086 0.000 2.609 52 Y HA 0.793 5.345 4.550 0.003 0.000 0.336 52 Y C -0.914 175.042 175.900 0.094 0.000 1.129 52 Y CA -1.460 56.765 58.100 0.208 0.000 1.040 52 Y CB 1.148 39.736 38.460 0.212 0.000 1.310 52 Y HN 0.028 8.308 8.280 -0.000 0.000 0.460 53 E N 1.524 121.879 120.200 0.258 0.000 2.195 53 E HA 0.673 5.024 4.350 0.001 0.000 0.271 53 E C -1.478 175.125 176.600 0.004 0.000 0.923 53 E CA -1.279 55.128 56.400 0.011 0.000 0.790 53 E CB 3.030 32.753 29.700 0.039 0.000 1.155 53 E HN 0.490 8.850 8.360 -0.000 0.000 0.402 54 V N 2.772 122.577 119.914 -0.182 0.000 2.604 54 V HA 0.321 4.441 4.120 0.001 0.000 0.305 54 V C -1.345 174.546 176.094 -0.339 0.000 1.043 54 V CA -0.857 61.384 62.300 -0.100 0.000 0.888 54 V CB 0.919 32.761 31.823 0.033 0.000 0.995 54 V HN 0.606 8.796 8.190 -0.000 0.000 0.429 55 Y N 2.745 123.067 120.300 0.037 0.000 2.447 55 Y HA 0.732 5.282 4.550 0.000 0.000 0.325 55 Y C 0.404 176.312 175.900 0.014 0.000 0.976 55 Y CA -0.483 57.632 58.100 0.024 0.000 1.280 55 Y CB 1.661 40.140 38.460 0.030 0.000 1.104 55 Y HN 0.711 8.991 8.280 -0.000 0.000 0.486 56 A N 2.558 125.427 122.820 0.082 0.000 2.317 56 A HA 0.795 5.116 4.320 0.001 0.000 0.327 56 A C -1.005 176.517 177.584 -0.102 0.000 1.178 56 A CA -0.706 51.344 52.037 0.022 0.000 0.817 56 A CB 0.804 19.850 19.000 0.078 0.000 1.189 56 A HN 0.468 8.618 8.150 -0.000 0.000 0.489 57 V N 3.664 123.382 119.914 -0.326 0.000 2.304 57 V HA 0.306 4.426 4.120 0.001 0.000 0.278 57 V C -0.196 175.696 176.094 -0.338 0.000 1.018 57 V CA -0.280 61.758 62.300 -0.437 0.000 0.814 57 V CB 0.491 31.776 31.823 -0.897 0.000 1.021 57 V HN 0.960 9.150 8.190 -0.000 0.000 0.440 58 E N 3.428 123.544 120.200 -0.140 0.000 2.195 58 E HA 0.567 4.918 4.350 0.001 0.000 0.271 58 E C -0.906 175.681 176.600 -0.022 0.000 0.923 58 E CA -0.889 55.468 56.400 -0.072 0.000 0.790 58 E CB 2.190 31.895 29.700 0.007 0.000 1.155 58 E HN 0.494 8.854 8.360 -0.000 0.000 0.402 59 Q N 1.318 121.111 119.800 -0.011 0.000 2.194 59 Q HA 0.180 4.520 4.340 0.001 0.000 0.245 59 Q C -0.065 175.948 176.000 0.023 0.000 0.993 59 Q CA -0.585 55.231 55.803 0.021 0.000 0.930 59 Q CB 0.739 29.494 28.738 0.028 0.000 1.238 59 Q HN 0.572 8.842 8.270 -0.000 0.000 0.486 60 E N 0.276 120.493 120.200 0.028 0.000 2.418 60 E HA 0.015 4.365 4.350 0.001 0.000 0.261 60 E C -0.786 175.831 176.600 0.028 0.000 1.070 60 E CA 0.039 56.456 56.400 0.029 0.000 0.931 60 E CB 0.333 30.049 29.700 0.026 0.000 0.954 60 E HN 0.355 8.715 8.360 -0.000 0.000 0.439 61 E N 2.093 122.313 120.200 0.033 0.000 1.795 61 E HA 0.065 4.415 4.350 0.001 0.000 0.261 61 E C -0.545 176.070 176.600 0.026 0.000 1.238 61 E CA 0.230 56.650 56.400 0.033 0.000 1.001 61 E CB 0.260 29.986 29.700 0.043 0.000 1.065 61 E HN 0.207 8.567 8.360 -0.000 0.000 0.418 62 K N 2.134 122.547 120.400 0.020 0.000 2.375 62 K HA 0.251 4.572 4.320 0.001 0.000 0.249 62 K C -0.401 176.208 176.600 0.015 0.000 0.942 62 K CA -0.802 55.496 56.287 0.019 0.000 0.806 62 K CB 2.196 34.708 32.500 0.020 0.000 1.227 62 K HN 0.296 8.546 8.250 -0.000 0.000 0.430 63 E N 0.111 120.320 120.200 0.016 0.000 2.465 63 E HA 0.022 4.373 4.350 0.001 0.000 0.260 63 E C 0.826 177.434 176.600 0.014 0.000 0.980 63 E CA 0.992 57.401 56.400 0.015 0.000 0.927 63 E CB 0.299 30.010 29.700 0.017 0.000 0.934 63 E HN 0.901 9.261 8.360 -0.000 0.000 0.459 64 G N 3.059 111.866 108.800 0.011 0.000 2.234 64 G HA2 -0.235 3.726 3.960 0.001 0.000 0.235 64 G HA3 -0.235 3.726 3.960 0.001 0.000 0.235 64 G C 0.188 175.091 174.900 0.006 0.000 0.997 64 G CA 0.145 45.251 45.100 0.011 0.000 0.623 64 G HN 0.592 8.882 8.290 -0.000 0.000 0.514 65 D N 0.085 120.487 120.400 0.004 0.000 2.388 65 D HA 0.728 5.369 4.640 0.001 0.000 0.254 65 D C 0.345 176.632 176.300 -0.022 0.000 1.111 65 D CA -0.213 53.787 54.000 -0.001 0.000 0.993 65 D CB 0.933 41.738 40.800 0.009 0.000 1.118 65 D HN 0.248 8.618 8.370 -0.000 0.000 0.502 66 L N 2.040 123.245 121.223 -0.031 0.000 2.408 66 L HA 0.395 4.736 4.340 0.001 0.000 0.268 66 L C -0.417 176.388 176.870 -0.107 0.000 0.986 66 L CA -0.999 53.800 54.840 -0.069 0.000 0.820 66 L CB 1.998 44.035 42.059 -0.036 0.000 1.303 66 L HN 0.234 8.464 8.230 -0.000 0.000 0.411 67 N N 1.915 120.422 118.700 -0.321 0.000 2.472 67 N HA 0.719 5.460 4.740 0.001 0.000 0.289 67 N C -1.057 174.184 175.510 -0.448 0.000 1.156 67 N CA -0.239 52.508 53.050 -0.504 0.000 0.940 67 N CB 1.879 39.782 38.487 -0.973 0.000 1.200 67 N HN 0.406 8.786 8.380 -0.000 0.000 0.511 68 F N -1.676 118.083 119.950 -0.319 0.000 2.613 68 F HA 0.918 5.446 4.527 0.001 0.000 0.310 68 F C -1.185 174.671 175.800 0.093 0.000 1.085 68 F CA -1.262 56.674 58.000 -0.106 0.000 0.945 68 F CB 1.274 40.249 39.000 -0.042 0.000 1.298 68 F HN 0.492 8.792 8.300 -0.000 0.000 0.455 69 A N 1.223 124.249 122.820 0.344 0.000 2.566 69 A HA 0.714 5.035 4.320 0.001 0.000 0.297 69 A C -0.727 176.996 177.584 0.233 0.000 1.059 69 A CA -0.335 51.858 52.037 0.260 0.000 0.691 69 A CB 1.156 20.345 19.000 0.315 0.000 1.282 69 A HN 1.270 9.420 8.150 -0.000 0.000 0.401 70 T N -0.561 114.102 114.554 0.182 0.000 2.928 70 T HA 0.788 5.139 4.350 0.001 0.000 0.284 70 T C -0.067 174.610 174.700 -0.038 0.000 1.008 70 T CA -0.409 61.714 62.100 0.038 0.000 1.057 70 T CB 1.463 70.362 68.868 0.051 0.000 1.018 70 T HN 0.655 8.895 8.240 -0.000 0.000 0.493 71 T N 1.466 115.765 114.554 -0.424 0.000 2.886 71 T HA 0.547 4.897 4.350 0.001 0.000 0.292 71 T C -0.751 173.676 174.700 -0.454 0.000 1.012 71 T CA -0.663 61.183 62.100 -0.423 0.000 0.982 71 T CB 1.566 70.061 68.868 -0.622 0.000 1.018 71 T HN 0.622 8.862 8.240 -0.000 0.000 0.451 72 V N 4.159 124.041 119.914 -0.053 0.000 2.313 72 V HA 0.411 4.532 4.120 0.001 0.000 0.278 72 V C -0.258 175.970 176.094 0.223 0.000 1.017 72 V CA -0.728 61.585 62.300 0.021 0.000 0.823 72 V CB 1.133 33.028 31.823 0.120 0.000 1.010 72 V HN 0.717 8.907 8.190 -0.000 0.000 0.443 73 L N 5.807 127.158 121.223 0.213 0.000 2.262 73 L HA 0.523 4.864 4.340 0.001 0.000 0.288 73 L C -0.570 176.570 176.870 0.450 0.000 1.035 73 L CA -0.472 54.635 54.840 0.445 0.000 0.820 73 L CB 0.811 43.173 42.059 0.504 0.000 1.204 73 L HN 0.549 8.779 8.230 -0.000 0.000 0.424 74 Y N 5.836 126.367 120.300 0.385 0.000 2.379 74 Y HA 0.154 4.705 4.550 0.003 0.000 0.337 74 Y C -1.630 174.458 175.900 0.313 0.000 1.238 74 Y CA -1.618 56.682 58.100 0.333 0.000 1.405 74 Y CB 0.407 39.075 38.460 0.346 0.000 1.310 74 Y HN 0.473 8.753 8.280 -0.000 0.000 0.569 75 P HA 0.341 4.761 4.420 -0.000 0.000 0.275 75 P C -0.250 176.865 177.300 -0.308 0.000 1.227 75 P CA 0.031 63.162 63.100 0.051 0.000 0.781 75 P CB 1.508 33.232 31.700 0.040 0.000 0.906 76 G N 1.195 109.655 108.800 -0.566 0.000 2.328 76 G HA2 0.340 4.301 3.960 0.001 0.000 0.299 76 G HA3 0.340 4.301 3.960 0.001 0.000 0.299 76 G C -2.019 172.381 174.900 -0.833 0.000 1.435 76 G CA -0.770 43.617 45.100 -1.187 0.000 0.865 76 G HN 0.430 8.720 8.290 -0.000 0.000 0.601 77 K N -0.628 119.445 120.400 -0.545 0.000 2.426 77 K HA 0.656 4.977 4.320 0.001 0.000 0.251 77 K C -1.090 175.495 176.600 -0.024 0.000 0.941 77 K CA -0.907 55.277 56.287 -0.171 0.000 0.808 77 K CB 3.186 35.538 32.500 -0.247 0.000 1.265 77 K HN 0.288 8.538 8.250 -0.000 0.000 0.432 78 V N 3.079 122.965 119.914 -0.047 0.000 2.294 78 V HA 0.333 4.454 4.120 0.001 0.000 0.272 78 V C 0.846 176.918 176.094 -0.038 0.000 1.027 78 V CA 0.471 62.682 62.300 -0.147 0.000 0.823 78 V CB 0.017 31.484 31.823 -0.592 0.000 1.030 78 V HN 1.138 9.328 8.190 -0.000 0.000 0.457 79 G N 5.834 114.614 108.800 -0.033 0.000 2.574 79 G HA2 -0.328 3.633 3.960 0.001 0.000 0.301 79 G HA3 -0.328 3.633 3.960 0.001 0.000 0.301 79 G C 0.812 175.667 174.900 -0.074 0.000 1.166 79 G CA 0.785 45.870 45.100 -0.024 0.000 0.971 79 G HN 0.586 8.876 8.290 -0.000 0.000 0.542 80 K N 1.296 121.654 120.400 -0.071 0.000 2.353 80 K HA 0.246 4.567 4.320 0.001 0.000 0.195 80 K C 0.835 177.290 176.600 -0.241 0.000 1.031 80 K CA 0.320 56.513 56.287 -0.156 0.000 1.079 80 K CB 0.609 33.050 32.500 -0.098 0.000 0.857 80 K HN 0.497 8.747 8.250 -0.000 0.000 0.535 81 E N 1.085 121.237 120.200 -0.079 0.000 2.130 81 E HA 0.122 4.473 4.350 0.001 0.000 0.284 81 E C -0.918 175.746 176.600 0.106 0.000 1.018 81 E CA -0.528 55.910 56.400 0.064 0.000 0.817 81 E CB 0.447 30.338 29.700 0.319 0.000 1.078 81 E HN -0.080 8.280 8.360 -0.000 0.000 0.396 82 F N 3.361 123.446 119.950 0.225 0.000 2.553 82 F HA 0.023 4.555 4.527 0.009 0.000 0.356 82 F C 0.803 176.853 175.800 0.418 0.000 1.142 82 F CA -0.358 57.781 58.000 0.231 0.000 1.322 82 F CB 0.310 39.411 39.000 0.169 0.000 1.126 82 F HN 0.442 8.742 8.300 -0.000 0.000 0.599 83 F N 3.214 123.372 119.950 0.347 0.000 2.629 83 F HA 0.102 4.630 4.527 0.002 0.000 0.369 83 F C 0.176 176.171 175.800 0.325 0.000 1.125 83 F CA -0.566 57.589 58.000 0.258 0.000 1.330 83 F CB -0.555 38.600 39.000 0.258 0.000 1.071 83 F HN 0.255 8.555 8.300 -0.000 0.000 0.595 84 F N -1.171 119.085 119.950 0.510 0.000 2.685 84 F HA 0.628 5.154 4.527 -0.002 0.000 0.315 84 F C -0.519 175.303 175.800 0.036 0.000 1.126 84 F CA -1.956 56.179 58.000 0.225 0.000 0.950 84 F CB 0.151 39.214 39.000 0.106 0.000 1.360 84 F HN 0.352 8.652 8.300 -0.000 0.000 0.469 85 T N -1.530 113.137 114.554 0.188 0.000 2.904 85 T HA 0.302 4.653 4.350 0.001 0.000 0.290 85 T C 0.774 175.563 174.700 0.148 0.000 1.018 85 T CA -0.536 61.431 62.100 -0.221 0.000 1.075 85 T CB 1.303 69.976 68.868 -0.325 0.000 0.986 85 T HN 0.791 9.031 8.240 -0.000 0.000 0.523 86 K N 1.407 121.920 120.400 0.188 0.000 2.059 86 K HA 0.064 4.385 4.320 0.001 0.000 0.212 86 K C 1.206 178.005 176.600 0.331 0.000 1.050 86 K CA 1.459 57.825 56.287 0.131 0.000 0.927 86 K CB -0.943 31.634 32.500 0.127 0.000 0.714 86 K HN 1.155 9.405 8.250 -0.000 0.000 0.447 87 G N 1.599 110.600 108.800 0.335 0.000 2.719 87 G HA2 -0.144 3.817 3.960 0.001 0.000 0.686 87 G HA3 -0.144 3.817 3.960 0.001 0.000 0.686 87 G C -1.011 174.040 174.900 0.252 0.000 1.201 87 G CA -0.247 44.983 45.100 0.217 0.000 0.768 87 G HN 0.543 8.833 8.290 -0.000 0.000 0.629 88 H N -0.352 118.594 119.070 -0.207 0.000 3.068 88 H HA 0.658 5.215 4.556 0.002 0.000 0.342 88 H C -1.236 173.734 175.328 -0.597 0.000 1.284 88 H CA -1.167 54.661 56.048 -0.366 0.000 1.181 88 H CB 0.716 30.137 29.762 -0.567 0.000 1.898 88 H HN 0.464 8.744 8.280 -0.000 0.000 0.540 89 F N 0.680 120.494 119.950 -0.227 0.000 2.368 89 F HA 0.306 4.835 4.527 0.003 0.000 0.315 89 F C 1.185 176.946 175.800 -0.066 0.000 1.145 89 F CA -0.139 57.732 58.000 -0.215 0.000 1.095 89 F CB 0.640 39.586 39.000 -0.090 0.000 1.286 89 F HN 0.495 8.795 8.300 -0.000 0.000 0.530 90 H N -0.389 118.850 119.070 0.282 0.000 2.511 90 H HA 0.391 4.948 4.556 0.001 0.000 0.346 90 H C 0.598 175.990 175.328 0.106 0.000 1.128 90 H CA -0.232 55.904 56.048 0.147 0.000 1.342 90 H CB 1.374 31.207 29.762 0.119 0.000 1.470 90 H HN 0.738 9.018 8.280 -0.000 0.000 0.546 91 A N 2.968 125.902 122.820 0.190 0.000 1.902 91 A HA -0.104 4.217 4.320 0.001 0.000 0.217 91 A C 0.743 178.388 177.584 0.101 0.000 1.181 91 A CA 1.037 53.145 52.037 0.118 0.000 0.623 91 A CB -0.179 18.877 19.000 0.093 0.000 0.818 91 A HN 0.629 8.779 8.150 -0.000 0.000 0.443 92 K N 0.940 121.400 120.400 0.101 0.000 2.250 92 K HA 0.323 4.644 4.320 0.001 0.000 0.285 92 K C 0.429 177.094 176.600 0.108 0.000 1.097 92 K CA -0.317 56.019 56.287 0.080 0.000 0.913 92 K CB 0.881 33.409 32.500 0.047 0.000 1.179 92 K HN 0.315 8.565 8.250 -0.000 0.000 0.462 93 L N 2.377 123.659 121.223 0.100 0.000 2.131 93 L HA -0.181 4.160 4.340 0.001 0.000 0.210 93 L C 1.321 178.139 176.870 -0.086 0.000 1.092 93 L CA 1.656 56.566 54.840 0.115 0.000 0.759 93 L CB -0.077 42.095 42.059 0.189 0.000 0.903 93 L HN 0.727 8.957 8.230 -0.000 0.000 0.435 94 D N -1.164 119.092 120.400 -0.239 0.000 2.319 94 D HA -0.067 4.574 4.640 0.001 0.000 0.230 94 D C 0.600 176.780 176.300 -0.201 0.000 1.094 94 D CA -0.132 53.529 54.000 -0.565 0.000 0.856 94 D CB -0.195 40.331 40.800 -0.457 0.000 0.915 94 D HN -0.022 8.348 8.370 -0.000 0.000 0.517 95 R N 0.784 121.283 120.500 -0.002 0.000 2.347 95 R HA 0.615 4.955 4.340 0.001 0.000 0.304 95 R C 0.263 176.677 176.300 0.189 0.000 1.072 95 R CA -0.189 55.958 56.100 0.077 0.000 0.980 95 R CB 0.819 31.125 30.300 0.010 0.000 0.986 95 R HN 0.193 8.463 8.270 -0.000 0.000 0.448 96 A N 2.252 125.120 122.820 0.081 0.000 2.249 96 A HA 0.556 4.876 4.320 0.001 0.000 0.281 96 A C -0.469 177.160 177.584 0.075 0.000 1.127 96 A CA -0.166 51.882 52.037 0.019 0.000 0.833 96 A CB 0.560 19.554 19.000 -0.010 0.000 1.140 96 A HN 0.695 8.845 8.150 -0.000 0.000 0.502 97 E N -1.465 118.710 120.200 -0.042 0.000 2.392 97 E HA 0.544 4.894 4.350 0.001 0.000 0.279 97 E C -2.138 174.486 176.600 0.041 0.000 0.964 97 E CA -0.541 55.888 56.400 0.048 0.000 0.777 97 E CB 2.222 31.960 29.700 0.063 0.000 1.249 97 E HN 0.411 8.771 8.360 -0.000 0.000 0.449 98 V N 3.402 123.382 119.914 0.108 0.000 2.531 98 V HA 0.440 4.561 4.120 0.001 0.000 0.301 98 V C -1.358 174.814 176.094 0.129 0.000 1.034 98 V CA -0.649 61.735 62.300 0.140 0.000 0.865 98 V CB 1.125 33.019 31.823 0.120 0.000 0.995 98 V HN 0.573 8.763 8.190 -0.000 0.000 0.424 99 Y N 2.947 123.231 120.300 -0.025 0.000 2.393 99 Y HA 0.685 5.236 4.550 0.002 0.000 0.341 99 Y C -0.015 175.869 175.900 -0.025 0.000 0.988 99 Y CA -0.945 57.139 58.100 -0.026 0.000 1.078 99 Y CB 2.272 40.631 38.460 -0.169 0.000 1.203 99 Y HN 0.363 8.643 8.280 -0.000 0.000 0.453 100 V N 3.257 123.254 119.914 0.138 0.000 2.378 100 V HA 0.659 4.780 4.120 0.001 0.000 0.288 100 V C -0.098 176.027 176.094 0.052 0.000 1.016 100 V CA -1.199 61.137 62.300 0.060 0.000 0.840 100 V CB 1.144 32.969 31.823 0.004 0.000 0.994 100 V HN 0.896 9.086 8.190 -0.000 0.000 0.431 101 A N 4.983 127.830 122.820 0.045 0.000 2.409 101 A HA 0.699 5.020 4.320 0.001 0.000 0.262 101 A C 0.611 178.177 177.584 -0.030 0.000 1.113 101 A CA -0.129 51.941 52.037 0.054 0.000 0.790 101 A CB 0.383 19.485 19.000 0.171 0.000 1.046 101 A HN 0.907 9.057 8.150 -0.000 0.000 0.496 102 L N 1.074 122.234 121.223 -0.105 0.000 2.547 102 L HA 0.369 4.710 4.340 0.001 0.000 0.218 102 L C 0.923 177.745 176.870 -0.080 0.000 1.048 102 L CA 0.562 55.260 54.840 -0.235 0.000 0.859 102 L CB 0.104 41.841 42.059 -0.537 0.000 1.128 102 L HN 0.678 8.908 8.230 -0.000 0.000 0.483 103 K N -0.448 119.950 120.400 -0.003 0.000 2.546 103 K HA 0.516 4.836 4.320 0.001 0.000 0.264 103 K C -0.583 176.134 176.600 0.196 0.000 0.937 103 K CA 0.118 56.450 56.287 0.074 0.000 0.833 103 K CB 2.333 34.859 32.500 0.042 0.000 1.378 103 K HN 0.078 8.328 8.250 -0.000 0.000 0.432 104 G N 2.273 111.183 108.800 0.183 0.000 2.660 104 G HA2 -0.187 3.773 3.960 0.001 0.000 0.215 104 G HA3 -0.187 3.773 3.960 0.001 0.000 0.215 104 G C -1.400 173.617 174.900 0.196 0.000 1.345 104 G CA -0.301 44.929 45.100 0.216 0.000 0.877 104 G HN 0.583 8.873 8.290 -0.000 0.000 0.549 105 K N -0.080 120.339 120.400 0.031 0.000 2.507 105 K HA 0.665 4.986 4.320 0.001 0.000 0.251 105 K C 0.390 176.639 176.600 -0.585 0.000 0.943 105 K CA 0.142 56.312 56.287 -0.196 0.000 0.794 105 K CB 1.182 33.610 32.500 -0.119 0.000 1.188 105 K HN 1.813 10.063 8.250 -0.000 0.000 0.428 106 G N 1.452 109.728 108.800 -0.873 0.000 2.696 106 G HA2 0.683 4.643 3.960 0.001 0.000 0.151 106 G HA3 0.683 4.643 3.960 0.001 0.000 0.151 106 G C -0.678 173.830 174.900 -0.654 0.000 1.197 106 G CA -0.172 44.317 45.100 -1.018 0.000 1.053 106 G HN 0.906 9.196 8.290 -0.000 0.000 0.546 107 G N -1.190 107.211 108.800 -0.664 0.000 2.322 107 G HA2 0.557 4.518 3.960 0.001 0.000 0.295 107 G HA3 0.557 4.518 3.960 0.001 0.000 0.295 107 G C -1.665 172.813 174.900 -0.704 0.000 1.369 107 G CA -0.095 44.473 45.100 -0.886 0.000 0.821 107 G HN 0.877 9.167 8.290 -0.000 0.000 0.536 108 M N 0.819 119.857 119.600 -0.936 0.000 2.326 108 M HA 0.640 5.120 4.480 0.001 0.000 0.306 108 M C -1.319 174.747 176.300 -0.390 0.000 1.054 108 M CA -0.833 54.126 55.300 -0.568 0.000 0.922 108 M CB 1.749 33.982 32.600 -0.612 0.000 1.632 108 M HN 0.423 8.713 8.290 -0.000 0.000 0.436 109 L N 5.598 126.694 121.223 -0.212 0.000 2.289 109 L HA 0.550 4.891 4.340 0.001 0.000 0.285 109 L C -1.349 175.436 176.870 -0.141 0.000 1.049 109 L CA -0.664 54.085 54.840 -0.151 0.000 0.804 109 L CB 1.370 43.190 42.059 -0.398 0.000 1.195 109 L HN 0.649 8.879 8.230 -0.000 0.000 0.428 110 L N 3.904 125.198 121.223 0.119 0.000 2.370 110 L HA 0.606 4.947 4.340 0.001 0.000 0.266 110 L C -0.598 176.603 176.870 0.553 0.000 1.002 110 L CA -0.316 54.719 54.840 0.325 0.000 0.818 110 L CB 2.085 44.204 42.059 0.100 0.000 1.325 110 L HN 0.585 8.815 8.230 -0.000 0.000 0.418 111 Q N -0.136 119.927 119.800 0.439 0.000 2.353 111 Q HA 0.622 4.962 4.340 0.001 0.000 0.275 111 Q C -1.084 174.799 176.000 -0.195 0.000 1.029 111 Q CA -0.935 54.928 55.803 0.100 0.000 0.848 111 Q CB 2.010 30.658 28.738 -0.150 0.000 1.390 111 Q HN 0.628 8.898 8.270 -0.000 0.000 0.401 112 T N -1.382 112.856 114.554 -0.527 0.000 2.788 112 T HA 0.335 4.686 4.350 0.001 0.000 0.287 112 T C -1.832 172.831 174.700 -0.062 0.000 1.007 112 T CA -1.316 60.483 62.100 -0.501 0.000 1.005 112 T CB 0.558 68.979 68.868 -0.744 0.000 1.012 112 T HN 0.488 8.728 8.240 -0.000 0.000 0.530 113 P HA -0.053 4.367 4.420 -0.000 0.000 0.221 113 P C 1.223 178.482 177.300 -0.068 0.000 1.145 113 P CA 0.924 63.957 63.100 -0.112 0.000 0.795 113 P CB 0.000 31.537 31.700 -0.272 0.000 0.775 114 E N -1.424 118.718 120.200 -0.097 0.000 2.204 114 E HA -0.018 4.332 4.350 0.001 0.000 0.194 114 E C 1.446 178.075 176.600 0.049 0.000 0.989 114 E CA 0.988 57.360 56.400 -0.045 0.000 0.824 114 E CB -0.444 29.207 29.700 -0.082 0.000 0.756 114 E HN 0.267 8.627 8.360 -0.000 0.000 0.477 115 G N 1.828 110.639 108.800 0.017 0.000 2.163 115 G HA2 -0.160 3.801 3.960 0.001 0.000 0.213 115 G HA3 -0.160 3.801 3.960 0.001 0.000 0.213 115 G C -0.456 174.350 174.900 -0.158 0.000 0.991 115 G CA -0.103 45.013 45.100 0.027 0.000 0.653 115 G HN 0.125 8.415 8.290 -0.000 0.000 0.518 116 D N 1.391 121.717 120.400 -0.123 0.000 2.348 116 D HA 0.560 5.201 4.640 0.001 0.000 0.253 116 D C 0.645 176.936 176.300 -0.016 0.000 1.161 116 D CA 1.058 55.008 54.000 -0.083 0.000 0.876 116 D CB 1.520 42.289 40.800 -0.052 0.000 1.160 116 D HN 0.679 9.049 8.370 -0.000 0.000 0.459 117 A N 2.476 125.319 122.820 0.038 0.000 2.320 117 A HA 0.616 4.936 4.320 0.001 0.000 0.334 117 A C -0.090 177.631 177.584 0.228 0.000 1.147 117 A CA -0.654 51.474 52.037 0.152 0.000 0.820 117 A CB 1.447 20.476 19.000 0.048 0.000 1.218 117 A HN 0.356 8.506 8.150 -0.000 0.000 0.482 118 K N 0.982 121.536 120.400 0.256 0.000 2.422 118 K HA 0.431 4.752 4.320 0.001 0.000 0.251 118 K C -1.666 175.012 176.600 0.130 0.000 0.933 118 K CA -0.445 55.924 56.287 0.137 0.000 0.798 118 K CB 1.278 33.763 32.500 -0.025 0.000 1.238 118 K HN 0.800 9.050 8.250 -0.000 0.000 0.428 119 W N 7.555 128.809 121.300 -0.078 0.000 2.475 119 W HA 0.524 5.172 4.660 -0.020 0.000 0.317 119 W C -1.500 174.942 176.519 -0.127 0.000 1.046 119 W CA -0.879 56.399 57.345 -0.111 0.000 1.215 119 W CB 0.835 30.242 29.460 -0.089 0.000 1.335 119 W HN 0.336 8.516 8.180 -0.000 0.000 0.471 120 I N 5.320 125.309 120.570 -0.969 0.000 2.439 120 I HA 0.084 4.255 4.170 0.001 0.000 0.285 120 I C 0.434 175.835 176.117 -1.194 0.000 1.021 120 I CA -0.550 60.241 61.300 -0.848 0.000 1.091 120 I CB 1.402 39.073 38.000 -0.549 0.000 1.242 120 I HN 0.238 8.448 8.210 -0.000 0.000 0.439 121 S N 7.108 122.290 115.700 -0.864 0.000 2.560 121 S HA 0.418 4.888 4.470 0.001 0.000 0.284 121 S C 0.053 174.413 174.600 -0.399 0.000 1.327 121 S CA 0.039 57.905 58.200 -0.557 0.000 1.055 121 S CB 0.429 63.519 63.200 -0.182 0.000 0.868 121 S HN 0.447 8.757 8.310 -0.000 0.000 0.506 122 M N 2.858 122.256 119.600 -0.336 0.000 2.204 122 M HA 0.426 4.907 4.480 0.001 0.000 0.293 122 M C -0.665 175.593 176.300 -0.071 0.000 0.994 122 M CA -0.388 54.818 55.300 -0.157 0.000 0.925 122 M CB 2.099 34.687 32.600 -0.021 0.000 1.577 122 M HN 0.520 8.810 8.290 -0.000 0.000 0.439 123 E N 2.693 122.895 120.200 0.005 0.000 2.378 123 E HA 0.586 4.937 4.350 0.001 0.000 0.265 123 E C -2.580 174.071 176.600 0.086 0.000 0.932 123 E CA -1.738 54.688 56.400 0.043 0.000 0.795 123 E CB 1.851 31.553 29.700 0.003 0.000 1.296 123 E HN 0.242 8.602 8.360 -0.000 0.000 0.438 124 P HA 0.046 4.466 4.420 -0.000 0.000 0.262 124 P C 0.339 177.663 177.300 0.040 0.000 1.182 124 P CA 1.312 64.451 63.100 0.066 0.000 0.761 124 P CB 0.439 32.176 31.700 0.062 0.000 0.795 125 G N 1.730 110.545 108.800 0.025 0.000 2.217 125 G HA2 -0.223 3.738 3.960 0.001 0.000 0.246 125 G HA3 -0.223 3.738 3.960 0.001 0.000 0.246 125 G C 0.305 175.211 174.900 0.010 0.000 0.990 125 G CA -0.001 45.110 45.100 0.019 0.000 0.627 125 G HN 0.585 8.875 8.290 -0.000 0.000 0.522 126 T N 1.696 116.257 114.554 0.012 0.000 2.799 126 T HA 0.462 4.813 4.350 0.001 0.000 0.296 126 T C 0.406 175.105 174.700 -0.002 0.000 0.947 126 T CA 0.135 62.230 62.100 -0.009 0.000 1.141 126 T CB 2.013 70.864 68.868 -0.028 0.000 0.891 126 T HN 0.458 8.698 8.240 -0.000 0.000 0.533 127 V N 5.112 125.021 119.914 -0.008 0.000 2.394 127 V HA 0.361 4.482 4.120 0.001 0.000 0.282 127 V C 0.121 176.209 176.094 -0.010 0.000 1.031 127 V CA -0.689 61.616 62.300 0.009 0.000 0.881 127 V CB 1.594 33.428 31.823 0.017 0.000 0.982 127 V HN 0.651 8.841 8.190 -0.000 0.000 0.451 128 V N 5.317 125.229 119.914 -0.003 0.000 2.417 128 V HA 0.318 4.439 4.120 0.001 0.000 0.291 128 V C -0.686 175.415 176.094 0.012 0.000 1.024 128 V CA -0.808 61.453 62.300 -0.065 0.000 0.861 128 V CB 1.519 33.209 31.823 -0.221 0.000 0.985 128 V HN 0.795 8.985 8.190 -0.000 0.000 0.436 129 Y N 5.134 125.360 120.300 -0.124 0.000 2.452 129 Y HA 0.515 5.065 4.550 -0.001 0.000 0.348 129 Y C -0.107 175.686 175.900 -0.179 0.000 0.985 129 Y CA -0.374 57.661 58.100 -0.109 0.000 1.214 129 Y CB 1.153 39.554 38.460 -0.099 0.000 1.136 129 Y HN 0.427 8.707 8.280 -0.000 0.000 0.523 130 V N 10.103 129.643 119.914 -0.623 0.000 2.368 130 V HA 0.267 4.388 4.120 0.001 0.000 0.266 130 V C -2.052 173.515 176.094 -0.879 0.000 1.045 130 V CA -1.817 60.087 62.300 -0.660 0.000 0.899 130 V CB 0.494 31.997 31.823 -0.532 0.000 1.006 130 V HN 0.717 8.907 8.190 -0.000 0.000 0.470 131 P HA 0.327 4.747 4.420 -0.000 0.000 0.276 131 P C -2.714 174.576 177.300 -0.017 0.000 1.261 131 P CA -2.085 60.738 63.100 -0.462 0.000 0.800 131 P CB -0.180 31.481 31.700 -0.064 0.000 1.066 132 P HA -0.100 4.320 4.420 -0.000 0.000 0.263 132 P C -0.562 176.783 177.300 0.074 0.000 1.175 132 P CA 1.031 64.060 63.100 -0.118 0.000 0.761 132 P CB -0.334 31.179 31.700 -0.310 0.000 0.794 133 Y N -1.904 118.528 120.300 0.219 0.000 4.884 133 Y HA -0.186 4.364 4.550 0.001 0.000 0.276 133 Y C -0.053 175.956 175.900 0.182 0.000 0.915 133 Y CA 0.574 58.763 58.100 0.149 0.000 1.768 133 Y CB -2.844 35.619 38.460 0.005 0.000 1.172 133 Y HN 0.382 8.662 8.280 -0.000 0.000 0.470 134 W N 1.795 123.208 121.300 0.188 0.000 2.335 134 W HA 0.740 5.404 4.660 0.006 0.000 0.307 134 W C 0.523 176.982 176.519 -0.100 0.000 1.117 134 W CA -0.413 56.973 57.345 0.068 0.000 1.228 134 W CB 0.754 30.207 29.460 -0.012 0.000 1.240 134 W HN 0.230 8.410 8.180 -0.000 0.000 0.468 135 A N 4.725 127.286 122.820 -0.432 0.000 2.466 135 A HA 0.369 4.690 4.320 0.001 0.000 0.238 135 A C -0.195 177.276 177.584 -0.189 0.000 1.074 135 A CA 0.102 51.581 52.037 -0.931 0.000 0.774 135 A CB 0.014 17.909 19.000 -1.843 0.000 1.015 135 A HN 0.685 8.835 8.150 -0.000 0.000 0.498 136 H N 0.402 119.321 119.070 -0.251 0.000 2.954 136 H HA 0.715 5.272 4.556 0.001 0.000 0.361 136 H C -0.877 174.315 175.328 -0.227 0.000 1.122 136 H CA -0.838 55.085 56.048 -0.209 0.000 1.217 136 H CB 1.058 30.622 29.762 -0.330 0.000 1.776 136 H HN 0.829 9.109 8.280 -0.000 0.000 0.533 137 R N 1.961 122.281 120.500 -0.299 0.000 2.604 137 R HA 0.390 4.730 4.340 0.001 0.000 0.281 137 R C -1.217 174.903 176.300 -0.299 0.000 1.020 137 R CA -0.451 55.429 56.100 -0.367 0.000 0.899 137 R CB 2.016 31.845 30.300 -0.785 0.000 1.205 137 R HN 0.864 9.134 8.270 -0.000 0.000 0.450 138 T N 0.152 114.629 114.554 -0.128 0.000 2.902 138 T HA 0.596 4.947 4.350 0.001 0.000 0.283 138 T C -0.305 174.510 174.700 0.192 0.000 1.009 138 T CA -0.660 61.426 62.100 -0.023 0.000 1.051 138 T CB 1.764 70.611 68.868 -0.036 0.000 0.999 138 T HN 0.221 8.461 8.240 -0.000 0.000 0.474 139 V N 2.786 122.840 119.914 0.234 0.000 2.588 139 V HA 0.498 4.618 4.120 0.001 0.000 0.304 139 V C -0.424 175.763 176.094 0.153 0.000 1.042 139 V CA -1.062 61.424 62.300 0.310 0.000 0.877 139 V CB 1.857 33.894 31.823 0.358 0.000 0.996 139 V HN 0.986 9.176 8.190 -0.000 0.000 0.425 140 N N 4.122 122.949 118.700 0.211 0.000 2.462 140 N HA 0.339 5.079 4.740 0.001 0.000 0.242 140 N C 0.396 175.767 175.510 -0.232 0.000 1.010 140 N CA -0.507 52.562 53.050 0.032 0.000 0.939 140 N CB 1.209 39.863 38.487 0.277 0.000 1.127 140 N HN 0.806 9.186 8.380 -0.000 0.000 0.509 141 I N 0.433 120.693 120.570 -0.518 0.000 3.956 141 I HA 0.491 4.662 4.170 0.001 0.000 0.333 141 I C 0.743 176.520 176.117 -0.566 0.000 1.302 141 I CA -0.497 60.159 61.300 -1.072 0.000 1.122 141 I CB 0.294 37.746 38.000 -0.913 0.000 1.013 141 I HN 0.253 8.463 8.210 -0.000 0.000 0.405 142 G N 0.634 109.275 108.800 -0.263 0.000 2.795 142 G HA2 0.322 4.282 3.960 0.001 0.000 0.267 142 G HA3 0.322 4.282 3.960 0.001 0.000 0.267 142 G C -0.558 174.332 174.900 -0.016 0.000 1.362 142 G CA -0.339 44.698 45.100 -0.104 0.000 1.048 142 G HN 0.250 8.540 8.290 -0.000 0.000 0.547 143 D N 0.271 120.675 120.400 0.007 0.000 2.772 143 D HA 0.181 4.822 4.640 0.001 0.000 0.272 143 D C 0.013 176.328 176.300 0.025 0.000 1.314 143 D CA 0.161 54.174 54.000 0.022 0.000 0.835 143 D CB 0.642 41.455 40.800 0.021 0.000 1.080 143 D HN 0.667 9.037 8.370 -0.000 0.000 0.482 144 E N -0.964 119.256 120.200 0.034 0.000 2.416 144 E HA 0.414 4.765 4.350 0.001 0.000 0.280 144 E C -3.250 173.378 176.600 0.047 0.000 1.055 144 E CA -2.133 54.285 56.400 0.030 0.000 0.825 144 E CB 1.167 30.885 29.700 0.029 0.000 1.312 144 E HN -0.326 8.034 8.360 -0.000 0.000 0.452 145 P HA -0.037 4.383 4.420 -0.000 0.000 0.262 145 P C -1.178 176.207 177.300 0.142 0.000 1.182 145 P CA 0.161 63.250 63.100 -0.019 0.000 0.761 145 P CB 0.018 31.596 31.700 -0.203 0.000 0.795 146 F N 5.791 125.773 119.950 0.054 0.000 2.404 146 F HA 0.430 4.962 4.527 0.009 0.000 0.358 146 F C -0.417 175.459 175.800 0.125 0.000 1.120 146 F CA -1.050 57.020 58.000 0.116 0.000 1.144 146 F CB -0.160 38.949 39.000 0.182 0.000 1.133 146 F HN 0.138 8.438 8.300 -0.000 0.000 0.495 147 I N 8.536 128.991 120.570 -0.192 0.000 2.436 147 I HA 0.425 4.596 4.170 0.001 0.000 0.289 147 I C -1.022 174.884 176.117 -0.351 0.000 1.010 147 I CA -0.789 60.321 61.300 -0.317 0.000 1.098 147 I CB 1.413 39.315 38.000 -0.164 0.000 1.266 147 I HN 0.515 8.725 8.210 -0.000 0.000 0.434 148 F N 5.161 124.897 119.950 -0.356 0.000 2.645 148 F HA 0.773 5.300 4.527 0.000 0.000 0.310 148 F C -1.679 174.036 175.800 -0.142 0.000 1.102 148 F CA -1.329 56.500 58.000 -0.286 0.000 0.952 148 F CB 1.409 40.221 39.000 -0.313 0.000 1.326 148 F HN 0.245 8.545 8.300 -0.000 0.000 0.456 149 L N 2.573 123.862 121.223 0.111 0.000 2.322 149 L HA 0.934 5.275 4.340 0.001 0.000 0.281 149 L C -0.939 176.000 176.870 0.115 0.000 1.014 149 L CA -0.595 54.299 54.840 0.089 0.000 0.815 149 L CB 1.405 43.478 42.059 0.023 0.000 1.247 149 L HN 1.017 9.247 8.230 -0.000 0.000 0.421 150 A N 5.653 128.528 122.820 0.091 0.000 2.342 150 A HA 0.830 5.151 4.320 0.001 0.000 0.323 150 A C -1.066 176.623 177.584 0.176 0.000 1.125 150 A CA -0.422 51.557 52.037 -0.096 0.000 0.785 150 A CB 0.760 19.533 19.000 -0.380 0.000 1.221 150 A HN 0.624 8.774 8.150 -0.000 0.000 0.463 151 I N 2.895 123.545 120.570 0.134 0.000 2.418 151 I HA 0.538 4.708 4.170 0.001 0.000 0.287 151 I C -0.907 175.327 176.117 0.195 0.000 1.008 151 I CA -0.238 61.148 61.300 0.143 0.000 1.104 151 I CB 1.450 39.485 38.000 0.058 0.000 1.264 151 I HN 0.642 8.852 8.210 -0.000 0.000 0.438 152 Y N 4.263 124.578 120.300 0.026 0.000 2.562 152 Y HA 0.799 5.349 4.550 0.001 0.000 0.345 152 Y C -3.099 172.779 175.900 -0.036 0.000 1.045 152 Y CA -3.909 54.177 58.100 -0.024 0.000 1.028 152 Y CB 0.462 38.894 38.460 -0.046 0.000 1.297 152 Y HN 0.283 8.563 8.280 -0.000 0.000 0.463 153 P HA 0.106 4.526 4.420 -0.000 0.000 0.265 153 P C 0.396 177.672 177.300 -0.040 0.000 1.193 153 P CA 0.791 63.871 63.100 -0.033 0.000 0.765 153 P CB 1.094 32.778 31.700 -0.028 0.000 0.823 154 A N 3.893 126.677 122.820 -0.061 0.000 2.024 154 A HA -0.199 4.121 4.320 0.001 0.000 0.220 154 A C 1.435 179.029 177.584 0.015 0.000 1.164 154 A CA 2.051 54.067 52.037 -0.035 0.000 0.643 154 A CB -0.925 18.060 19.000 -0.026 0.000 0.806 154 A HN 0.637 8.787 8.150 -0.000 0.000 0.451 155 D N -1.254 119.150 120.400 0.005 0.000 2.368 155 D HA 0.403 5.044 4.640 0.001 0.000 0.218 155 D C 1.278 177.574 176.300 -0.006 0.000 1.112 155 D CA 0.635 54.643 54.000 0.013 0.000 0.834 155 D CB -0.255 40.553 40.800 0.015 0.000 0.953 155 D HN 0.262 8.632 8.370 -0.000 0.000 0.505 156 A N 0.866 123.653 122.820 -0.055 0.000 1.898 156 A HA 0.377 4.698 4.320 0.001 0.000 0.216 156 A C 1.663 179.186 177.584 -0.101 0.000 1.181 156 A CA 1.257 53.189 52.037 -0.175 0.000 0.620 156 A CB -1.139 17.514 19.000 -0.577 0.000 0.819 156 A HN 0.691 8.841 8.150 -0.000 0.000 0.442 157 G N -1.833 106.915 108.800 -0.086 0.000 2.806 157 G HA2 -0.110 3.850 3.960 0.001 0.000 0.236 157 G HA3 -0.110 3.850 3.960 0.001 0.000 0.236 157 G C -0.513 174.255 174.900 -0.221 0.000 1.387 157 G CA 0.205 45.290 45.100 -0.025 0.000 0.884 157 G HN 1.059 9.349 8.290 -0.000 0.000 0.560 158 H N -0.340 118.728 119.070 -0.004 0.000 2.667 158 H HA 0.585 5.142 4.556 0.001 0.000 0.353 158 H C -0.939 174.308 175.328 -0.135 0.000 1.072 158 H CA -0.292 55.628 56.048 -0.213 0.000 1.214 158 H CB 2.127 31.588 29.762 -0.501 0.000 1.600 158 H HN 0.543 8.823 8.280 -0.000 0.000 0.527 159 D N 2.547 122.933 120.400 -0.024 0.000 2.446 159 D HA 0.114 4.755 4.640 0.001 0.000 0.251 159 D C -0.346 175.989 176.300 0.057 0.000 1.137 159 D CA -0.344 53.700 54.000 0.074 0.000 0.890 159 D CB 0.224 41.111 40.800 0.146 0.000 1.071 159 D HN 0.536 8.906 8.370 -0.000 0.000 0.528 160 Y N 1.392 121.834 120.300 0.237 0.000 2.490 160 Y HA 0.177 4.727 4.550 0.000 0.000 0.285 160 Y C 2.357 178.369 175.900 0.187 0.000 1.117 160 Y CA 0.430 58.673 58.100 0.237 0.000 1.262 160 Y CB 0.479 39.071 38.460 0.221 0.000 1.043 160 Y HN 0.496 8.776 8.280 -0.000 0.000 0.553 161 G N -0.116 108.849 108.800 0.274 0.000 2.433 161 G HA2 -0.259 3.702 3.960 0.001 0.000 0.216 161 G HA3 -0.259 3.702 3.960 0.001 0.000 0.216 161 G C 1.717 176.679 174.900 0.104 0.000 1.186 161 G CA 1.715 46.914 45.100 0.164 0.000 0.779 161 G HN 0.278 8.568 8.290 -0.000 0.000 0.543 162 T N 1.845 116.465 114.554 0.110 0.000 2.665 162 T HA -0.146 4.204 4.350 0.001 0.000 0.268 162 T C 2.325 177.067 174.700 0.071 0.000 1.035 162 T CA 1.265 63.415 62.100 0.083 0.000 1.151 162 T CB -0.129 68.815 68.868 0.126 0.000 0.862 162 T HN 0.098 8.338 8.240 -0.000 0.000 0.438 163 I N 1.666 122.297 120.570 0.102 0.000 2.252 163 I HA -0.049 4.122 4.170 0.001 0.000 0.245 163 I C 2.953 179.043 176.117 -0.046 0.000 1.102 163 I CA 0.902 62.226 61.300 0.041 0.000 1.385 163 I CB -1.750 36.311 38.000 0.101 0.000 1.064 163 I HN 0.195 8.405 8.210 -0.000 0.000 0.414 164 A N 0.409 123.199 122.820 -0.049 0.000 1.978 164 A HA -0.212 4.109 4.320 0.001 0.000 0.220 164 A C 2.271 179.655 177.584 -0.334 0.000 1.170 164 A CA 1.722 53.545 52.037 -0.358 0.000 0.636 164 A CB -0.488 18.477 19.000 -0.058 0.000 0.810 164 A HN 0.497 8.647 8.150 -0.000 0.000 0.448 165 E N -0.998 119.111 120.200 -0.151 0.000 2.102 165 E HA -0.021 4.330 4.350 0.001 0.000 0.190 165 E C 1.745 178.278 176.600 -0.111 0.000 0.971 165 E CA 1.013 57.339 56.400 -0.123 0.000 0.821 165 E CB 0.067 29.720 29.700 -0.078 0.000 0.777 165 E HN 0.579 8.939 8.360 -0.000 0.000 0.460 166 K N -0.544 119.815 120.400 -0.068 0.000 2.399 166 K HA 0.221 4.542 4.320 0.001 0.000 0.196 166 K C 0.750 177.437 176.600 0.145 0.000 1.103 166 K CA 0.370 56.645 56.287 -0.020 0.000 0.986 166 K CB 1.517 33.958 32.500 -0.098 0.000 0.952 166 K HN 0.170 8.420 8.250 -0.000 0.000 0.541 167 G N 1.727 110.578 108.800 0.086 0.000 2.598 167 G HA2 -0.292 3.668 3.960 0.001 0.000 0.244 167 G HA3 -0.292 3.668 3.960 0.001 0.000 0.244 167 G C -0.678 174.316 174.900 0.157 0.000 1.302 167 G CA -0.527 44.651 45.100 0.131 0.000 0.903 167 G HN 0.082 8.372 8.290 -0.000 0.000 0.575 168 F N 0.720 120.633 119.950 -0.061 0.000 2.432 168 F HA 0.560 5.090 4.527 0.004 0.000 0.329 168 F C 1.842 177.414 175.800 -0.380 0.000 1.076 168 F CA 0.301 58.164 58.000 -0.229 0.000 1.018 168 F CB 2.010 40.865 39.000 -0.242 0.000 1.201 168 F HN 0.667 8.967 8.300 -0.000 0.000 0.489 169 S N 0.079 115.331 115.700 -0.747 0.000 2.515 169 S HA 0.074 4.545 4.470 0.001 0.000 0.231 169 S C 0.355 174.729 174.600 -0.376 0.000 0.987 169 S CA 0.474 58.033 58.200 -1.068 0.000 0.936 169 S CB -0.317 61.900 63.200 -1.639 0.000 0.766 169 S HN 0.378 8.688 8.310 -0.000 0.000 0.528 170 K N 1.492 121.795 120.400 -0.163 0.000 2.316 170 K HA 0.584 4.905 4.320 0.001 0.000 0.251 170 K C -0.360 176.220 176.600 -0.034 0.000 0.934 170 K CA -0.701 55.541 56.287 -0.075 0.000 0.802 170 K CB 2.196 34.662 32.500 -0.057 0.000 1.171 170 K HN 0.424 8.675 8.250 -0.000 0.000 0.426 171 I N -1.844 118.713 120.570 -0.023 0.000 2.797 171 I HA 0.593 4.764 4.170 0.001 0.000 0.307 171 I C -0.512 175.586 176.117 -0.032 0.000 1.033 171 I CA -1.246 60.062 61.300 0.014 0.000 1.071 171 I CB 1.955 40.009 38.000 0.090 0.000 1.255 171 I HN 0.040 8.250 8.210 -0.000 0.000 0.445 172 V N 5.435 125.367 119.914 0.030 0.000 2.378 172 V HA 0.557 4.678 4.120 0.001 0.000 0.288 172 V C -0.001 176.207 176.094 0.189 0.000 1.016 172 V CA -0.381 61.916 62.300 -0.004 0.000 0.840 172 V CB 1.035 32.783 31.823 -0.125 0.000 0.994 172 V HN 0.747 8.937 8.190 -0.000 0.000 0.431 173 I N 0.661 121.290 120.570 0.098 0.000 3.042 173 I HA 0.761 4.931 4.170 0.001 0.000 0.310 173 I C -0.604 175.456 176.117 -0.095 0.000 1.117 173 I CA -0.907 60.359 61.300 -0.057 0.000 1.003 173 I CB 2.539 40.512 38.000 -0.046 0.000 1.228 173 I HN 0.539 8.749 8.210 -0.000 0.000 0.443 174 E N 2.048 122.027 120.200 -0.368 0.000 2.151 174 E HA 0.398 4.749 4.350 0.001 0.000 0.275 174 E C -1.341 175.194 176.600 -0.109 0.000 0.936 174 E CA -0.452 55.841 56.400 -0.179 0.000 0.777 174 E CB 1.397 30.944 29.700 -0.256 0.000 1.108 174 E HN 0.654 9.014 8.360 -0.000 0.000 0.401 175 E N 3.410 123.586 120.200 -0.040 0.000 2.263 175 E HA 0.207 4.558 4.350 0.001 0.000 0.268 175 E C -1.128 175.465 176.600 -0.013 0.000 0.884 175 E CA -0.484 55.898 56.400 -0.030 0.000 0.766 175 E CB 0.847 30.534 29.700 -0.023 0.000 1.196 175 E HN 0.714 9.074 8.360 -0.000 0.000 0.416 176 N N 2.472 121.164 118.700 -0.013 0.000 2.740 176 N HA -0.249 4.492 4.740 0.001 0.000 0.248 176 N C 0.419 175.930 175.510 0.002 0.000 1.062 176 N CA 0.394 53.441 53.050 -0.005 0.000 0.704 176 N CB -0.989 37.497 38.487 -0.003 0.000 0.968 176 N HN 0.884 9.264 8.380 -0.000 0.000 0.547 177 G N -0.511 108.292 108.800 0.004 0.000 2.198 177 G HA2 -0.352 3.609 3.960 0.001 0.000 0.260 177 G HA3 -0.352 3.609 3.960 0.001 0.000 0.260 177 G C -0.274 174.646 174.900 0.034 0.000 1.025 177 G CA 0.782 45.893 45.100 0.018 0.000 0.769 177 G HN 0.719 9.009 8.290 -0.000 0.000 0.507 178 E N -0.716 119.507 120.200 0.038 0.000 2.308 178 E HA 0.496 4.847 4.350 0.001 0.000 0.275 178 E C -0.097 176.549 176.600 0.077 0.000 0.890 178 E CA -0.906 55.520 56.400 0.045 0.000 0.754 178 E CB 2.052 31.764 29.700 0.020 0.000 1.207 178 E HN 0.122 8.482 8.360 -0.000 0.000 0.426 179 V N 4.457 124.429 119.914 0.096 0.000 2.470 179 V HA 0.205 4.325 4.120 0.001 0.000 0.276 179 V C -0.112 175.988 176.094 0.010 0.000 1.040 179 V CA 0.255 62.631 62.300 0.127 0.000 1.008 179 V CB 0.620 32.470 31.823 0.045 0.000 0.990 179 V HN 0.555 8.745 8.190 -0.000 0.000 0.477 180 K N 3.884 124.280 120.400 -0.007 0.000 2.397 180 K HA 0.616 4.936 4.320 0.001 0.000 0.253 180 K C -1.376 175.122 176.600 -0.171 0.000 0.932 180 K CA -0.783 55.454 56.287 -0.085 0.000 0.795 180 K CB 2.605 35.078 32.500 -0.045 0.000 1.159 180 K HN 0.391 8.641 8.250 -0.000 0.000 0.424 181 V N 3.979 123.732 119.914 -0.269 0.000 2.364 181 V HA 0.306 4.426 4.120 0.001 0.000 0.272 181 V C -0.041 175.956 176.094 -0.161 0.000 1.036 181 V CA -0.623 61.483 62.300 -0.323 0.000 0.880 181 V CB 0.907 32.406 31.823 -0.539 0.000 0.991 181 V HN 0.595 8.785 8.190 -0.000 0.000 0.460 182 V N 1.174 121.024 119.914 -0.108 0.000 3.130 182 V HA 0.682 4.803 4.120 0.001 0.000 0.310 182 V C -0.548 175.523 176.094 -0.038 0.000 1.158 182 V CA -1.192 61.075 62.300 -0.056 0.000 1.029 182 V CB 2.124 33.928 31.823 -0.032 0.000 1.057 182 V HN 0.564 8.754 8.190 -0.000 0.000 0.436 183 D N 2.748 123.136 120.400 -0.020 0.000 2.525 183 D HA 0.071 4.712 4.640 0.001 0.000 0.235 183 D C 0.147 176.461 176.300 0.023 0.000 1.137 183 D CA 0.811 54.806 54.000 -0.009 0.000 0.868 183 D CB 0.156 40.966 40.800 0.017 0.000 1.180 183 D HN 0.746 9.116 8.370 -0.000 0.000 0.465 184 N N 3.081 121.802 118.700 0.035 0.000 2.452 184 N HA 0.035 4.776 4.740 0.001 0.000 0.266 184 N C -1.798 173.798 175.510 0.143 0.000 1.175 184 N CA -1.543 51.567 53.050 0.100 0.000 0.945 184 N CB 1.091 39.659 38.487 0.136 0.000 1.063 184 N HN 0.054 8.434 8.380 -0.000 0.000 0.472 185 P HA -0.106 4.314 4.420 -0.000 0.000 0.216 185 P C 0.401 177.772 177.300 0.118 0.000 1.153 185 P CA 1.502 64.663 63.100 0.102 0.000 0.858 185 P CB 0.214 31.962 31.700 0.080 0.000 0.789 186 R N -2.521 118.058 120.500 0.131 0.000 2.328 186 R HA 0.032 4.372 4.340 0.001 0.000 0.200 186 R C 1.027 177.409 176.300 0.136 0.000 0.983 186 R CA -0.015 56.149 56.100 0.107 0.000 1.062 186 R CB -0.268 30.085 30.300 0.088 0.000 0.956 186 R HN 0.356 8.626 8.270 -0.000 0.000 0.479 187 W N 0.000 121.302 121.300 0.003 0.000 2.388 187 W HA 0.000 4.663 4.660 0.005 0.000 0.303 187 W CA 0.000 57.342 57.345 -0.005 0.000 1.226 187 W CB 0.000 29.461 29.460 0.002 0.000 1.126 187 W HN 0.000 8.180 8.180 -0.000 0.000 0.535