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 2kz1_1_B DATA FIRST_RESID 11 DATA SEQUENCE ScTFKISLRN FRSILSWELK NHSIVPTHYT LLYTIMSKPE DLKVVKNcAN DATA SEQUENCE TTRSFcDLTD EWRSTHEAYV TVLEGFSGNT TLFScSHNFW LAIDMSFEPP DATA SEQUENCE EFEIVGFTNH INVMVKFPSI VEEELQFDLS LVIEEQSEGI VKKHKPEIKG DATA SEQUENCE NMSGNFTYII DKLIPNTNYc VSVYLEHSDE QAVIKSPLKc TLLPPG 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 11 S HA 0.000 4.383 4.470 -0.145 0.000 0.327 11 S C 0.000 174.482 174.600 -0.196 0.000 1.055 11 S CA 0.000 58.090 58.200 -0.184 0.000 1.107 11 S CB 0.000 63.125 63.200 -0.125 0.000 0.593 12 c N 3.144 121.598 118.600 -0.243 0.000 4.365 12 c HA -0.240 4.059 4.570 -0.451 0.000 0.299 12 c C -0.494 173.195 174.090 -0.669 0.000 1.409 12 c CA 0.331 56.415 56.329 -0.409 0.000 2.007 12 c CB -2.590 39.826 42.510 -0.158 0.000 1.264 12 c HN 0.264 8.369 8.230 -0.207 0.000 0.777 13 T N 2.975 117.268 114.554 -0.434 0.000 2.723 13 T HA 0.027 4.281 4.350 -0.160 0.000 0.297 13 T C -1.268 173.262 174.700 -0.284 0.000 0.925 13 T CA 1.266 63.209 62.100 -0.261 0.000 1.030 13 T CB 0.216 69.032 68.868 -0.087 0.000 0.905 13 T HN -0.524 7.523 8.240 -0.298 0.014 0.502 14 F N 7.164 127.222 119.950 0.180 0.000 2.420 14 F HA 0.547 5.318 4.527 0.178 -0.136 0.342 14 F C 0.092 175.926 175.800 0.057 0.000 1.113 14 F CA -1.222 56.880 58.000 0.170 0.000 1.059 14 F CB 2.120 41.282 39.000 0.270 0.000 1.128 14 F HN 0.231 8.560 8.300 0.048 0.000 0.475 15 K N 3.446 123.918 120.400 0.120 0.000 2.443 15 K HA 0.429 4.699 4.320 -0.083 0.000 0.252 15 K C -2.337 174.165 176.600 -0.164 0.000 0.933 15 K CA -1.294 54.962 56.287 -0.051 0.000 0.792 15 K CB 4.297 36.790 32.500 -0.012 0.000 1.185 15 K HN 0.662 9.021 8.250 0.182 0.000 0.425 16 I N 4.639 125.045 120.570 -0.274 0.000 2.530 16 I HA 0.621 4.806 4.170 -0.219 -0.147 0.297 16 I C -1.525 174.494 176.117 -0.164 0.000 1.011 16 I CA -2.089 59.057 61.300 -0.256 0.000 1.107 16 I CB 2.913 40.698 38.000 -0.357 0.000 1.285 16 I HN 0.330 8.366 8.210 -0.290 0.000 0.436 17 S N 6.456 122.060 115.700 -0.159 0.000 2.547 17 S HA 0.361 4.779 4.470 -0.086 0.000 0.281 17 S C -2.015 172.490 174.600 -0.158 0.000 1.118 17 S CA -1.244 56.883 58.200 -0.121 0.000 0.947 17 S CB 3.372 66.512 63.200 -0.100 0.000 1.053 17 S HN 0.667 8.864 8.310 -0.187 0.000 0.482 18 L N 5.285 126.406 121.223 -0.170 0.000 2.259 18 L HA 0.415 4.781 4.340 -0.265 -0.185 0.288 18 L C -1.707 175.054 176.870 -0.181 0.000 1.051 18 L CA -0.763 53.903 54.840 -0.290 0.000 0.824 18 L CB 1.733 43.446 42.059 -0.576 0.000 1.206 18 L HN 0.704 8.859 8.230 -0.124 0.000 0.429 19 R N 6.975 127.399 120.500 -0.127 0.000 2.233 19 R HA 0.156 4.558 4.340 0.102 0.000 0.334 19 R C -1.053 175.220 176.300 -0.044 0.000 1.037 19 R CA -0.829 55.257 56.100 -0.023 0.000 0.920 19 R CB 0.281 30.530 30.300 -0.086 0.000 1.137 19 R HN 0.738 8.900 8.270 -0.180 0.000 0.492 20 N N 7.420 126.246 118.700 0.209 0.000 2.648 20 N HA -0.354 4.670 4.740 0.473 0.000 0.265 20 N C -1.204 174.095 175.510 -0.352 0.000 1.100 20 N CA 1.050 54.159 53.050 0.098 0.000 0.715 20 N CB -1.869 36.528 38.487 -0.150 0.000 0.881 20 N HN 0.675 9.364 8.380 0.515 0.000 0.548 21 F N -11.421 108.727 119.950 0.330 0.000 3.021 21 F HA -0.521 4.020 4.527 0.023 0.000 0.294 21 F C -2.167 173.600 175.800 -0.055 0.000 0.761 21 F CA 1.231 59.308 58.000 0.128 0.000 1.102 21 F CB -2.105 37.036 39.000 0.235 0.000 1.380 21 F HN 0.217 8.863 8.300 0.577 0.000 0.387 22 R N 0.728 121.099 120.500 -0.215 0.000 2.338 22 R HA 0.226 4.496 4.340 -0.117 0.000 0.317 22 R C -0.802 175.355 176.300 -0.240 0.000 0.968 22 R CA -1.463 54.510 56.100 -0.212 0.000 0.849 22 R CB 2.159 32.292 30.300 -0.279 0.000 1.128 22 R HN -0.816 7.082 8.270 -0.268 0.212 0.448 23 S N 4.299 119.822 115.700 -0.295 0.000 2.465 23 S HA 0.233 4.637 4.470 -0.304 -0.117 0.279 23 S C -0.891 173.464 174.600 -0.408 0.000 1.201 23 S CA 0.129 58.098 58.200 -0.384 0.000 1.053 23 S CB 0.113 62.976 63.200 -0.561 0.000 0.953 23 S HN 0.513 8.647 8.310 -0.294 0.000 0.488 24 I N 5.548 125.933 120.570 -0.307 0.000 2.418 24 I HA 0.478 4.665 4.170 -0.247 -0.166 0.287 24 I C -1.602 174.382 176.117 -0.221 0.000 1.008 24 I CA -0.928 60.226 61.300 -0.243 0.000 1.104 24 I CB 1.750 39.633 38.000 -0.195 0.000 1.264 24 I HN 0.770 8.818 8.210 -0.270 0.000 0.438 25 L N 5.355 126.470 121.223 -0.181 0.000 2.329 25 L HA 0.837 5.230 4.340 -0.148 -0.142 0.279 25 L C -0.949 175.866 176.870 -0.091 0.000 1.014 25 L CA -1.570 53.205 54.840 -0.109 0.000 0.814 25 L CB 1.573 43.602 42.059 -0.049 0.000 1.257 25 L HN 0.753 8.883 8.230 -0.168 0.000 0.424 26 S N 0.209 115.849 115.700 -0.100 0.000 2.542 26 S HA 0.742 4.896 4.470 -0.745 -0.131 0.293 26 S C -1.502 173.099 174.600 0.000 0.000 1.089 26 S CA -0.824 57.197 58.200 -0.297 0.000 0.961 26 S CB 3.822 66.873 63.200 -0.249 0.000 1.062 26 S HN 0.791 9.066 8.310 -0.057 0.000 0.483 27 W N 0.053 121.416 121.300 0.106 0.000 2.471 27 W HA 0.641 5.518 4.660 0.139 -0.134 0.318 27 W C -0.660 175.821 176.519 -0.063 0.000 1.034 27 W CA -2.431 54.961 57.345 0.077 0.000 1.224 27 W CB 1.077 30.618 29.460 0.134 0.000 1.335 27 W HN -0.021 7.444 8.180 -1.191 0.000 0.452 28 E N 4.286 124.516 120.200 0.050 0.000 2.089 28 E HA 0.291 4.641 4.350 0.001 0.000 0.284 28 E C -1.668 174.931 176.600 -0.002 0.000 1.023 28 E CA -0.957 55.443 56.400 0.000 0.000 0.819 28 E CB 0.894 30.582 29.700 -0.019 0.000 1.076 28 E HN 0.806 9.076 8.360 0.024 0.105 0.396 29 L N 4.513 125.765 121.223 0.047 0.000 2.362 29 L HA 0.290 4.643 4.340 0.022 0.000 0.275 29 L C 0.075 177.002 176.870 0.095 0.000 0.998 29 L CA -1.949 52.939 54.840 0.080 0.000 0.820 29 L CB 1.742 43.910 42.059 0.181 0.000 1.270 29 L HN 0.283 8.551 8.230 0.063 0.000 0.415 30 K N 2.975 123.408 120.400 0.054 0.000 2.144 30 K HA 0.162 4.524 4.320 0.070 0.000 0.270 30 K C -0.214 176.448 176.600 0.105 0.000 1.005 30 K CA -1.484 54.841 56.287 0.063 0.000 0.932 30 K CB 0.989 33.506 32.500 0.028 0.000 1.021 30 K HN 0.450 8.702 8.250 0.004 0.000 0.462 31 N N 2.228 120.995 118.700 0.111 0.000 2.621 31 N HA 0.146 4.976 4.740 0.150 0.000 0.237 31 N C -0.306 175.272 175.510 0.114 0.000 0.997 31 N CA -0.653 52.472 53.050 0.124 0.000 0.918 31 N CB 0.599 39.152 38.487 0.111 0.000 1.122 31 N HN 0.206 8.641 8.380 0.093 0.000 0.510 32 H N 4.191 123.281 119.070 0.032 0.000 2.294 32 H HA -0.031 4.534 4.556 0.014 0.000 0.306 32 H C -0.023 175.321 175.328 0.027 0.000 1.065 32 H CA 2.450 58.509 56.048 0.019 0.000 1.343 32 H CB 0.811 30.574 29.762 0.003 0.000 1.396 32 H HN 0.555 8.964 8.280 0.215 0.000 0.506 33 S N -1.448 114.314 115.700 0.104 0.000 3.313 33 S HA -0.000 4.450 4.470 -0.033 0.000 0.247 33 S C -0.378 174.262 174.600 0.067 0.000 1.058 33 S CA 0.192 58.416 58.200 0.041 0.000 0.794 33 S CB 1.424 64.674 63.200 0.082 0.000 0.842 33 S HN 0.073 8.505 8.310 0.204 0.000 0.526 34 I N 3.827 124.459 120.570 0.102 0.000 2.474 34 I HA -0.011 4.205 4.170 0.077 0.000 0.287 34 I C -1.419 174.764 176.117 0.111 0.000 1.048 34 I CA 0.219 61.578 61.300 0.098 0.000 1.383 34 I CB 0.622 38.689 38.000 0.111 0.000 1.412 34 I HN -0.436 7.850 8.210 0.128 0.000 0.531 35 V N 6.054 126.021 119.914 0.090 0.000 2.266 35 V HA 0.362 4.559 4.120 0.128 0.000 0.271 35 V C -2.352 173.782 176.094 0.066 0.000 1.032 35 V CA -3.246 59.112 62.300 0.095 0.000 0.806 35 V CB 0.305 32.174 31.823 0.077 0.000 1.052 35 V HN 0.186 8.420 8.190 0.073 0.000 0.449 36 P HA 0.319 4.658 4.420 -0.135 0.000 0.287 36 P C -0.584 176.575 177.300 -0.234 0.000 1.307 36 P CA -0.375 62.644 63.100 -0.136 0.000 0.777 36 P CB 0.464 32.054 31.700 -0.182 0.000 0.883 37 T N 3.326 117.788 114.554 -0.154 0.000 3.057 37 T HA 0.007 4.345 4.350 -0.020 0.000 0.254 37 T C -1.135 173.479 174.700 -0.144 0.000 1.094 37 T CA 0.555 62.615 62.100 -0.067 0.000 1.088 37 T CB 0.138 69.038 68.868 0.054 0.000 0.934 37 T HN 0.525 8.737 8.240 -0.046 0.000 0.497 38 H N -2.309 116.516 119.070 -0.409 0.000 2.569 38 H HA 0.831 5.444 4.556 -0.168 -0.158 0.357 38 H C -1.790 173.221 175.328 -0.528 0.000 1.153 38 H CA -2.508 53.349 56.048 -0.318 0.000 1.193 38 H CB 1.729 31.394 29.762 -0.160 0.000 1.602 38 H HN -0.649 7.291 8.280 -0.503 0.038 0.523 39 Y N -2.368 118.023 120.300 0.152 0.000 2.644 39 Y HA 0.354 4.912 4.550 0.015 0.000 0.338 39 Y C -1.370 174.545 175.900 0.024 0.000 1.119 39 Y CA -1.241 56.887 58.100 0.046 0.000 1.060 39 Y CB 4.708 43.171 38.460 0.004 0.000 1.294 39 Y HN 0.328 8.735 8.280 0.212 0.000 0.472 40 T N 1.891 116.512 114.554 0.113 0.000 2.991 40 T HA 0.493 5.046 4.350 0.033 -0.184 0.303 40 T C -2.258 172.356 174.700 -0.145 0.000 1.015 40 T CA -0.592 61.526 62.100 0.030 0.000 1.007 40 T CB 2.595 71.549 68.868 0.144 0.000 1.034 40 T HN -0.009 8.292 8.240 0.102 0.000 0.446 41 L N 7.367 128.487 121.223 -0.173 0.000 2.313 41 L HA 0.579 4.747 4.340 -0.286 0.000 0.283 41 L C -2.769 174.109 176.870 0.014 0.000 1.013 41 L CA -1.393 53.326 54.840 -0.201 0.000 0.816 41 L CB 2.413 44.317 42.059 -0.258 0.000 1.236 41 L HN -0.075 8.111 8.230 -0.073 0.000 0.419 42 L N 4.197 125.444 121.223 0.040 0.000 2.323 42 L HA 0.629 5.162 4.340 0.188 -0.080 0.265 42 L C -1.664 175.338 176.870 0.220 0.000 1.012 42 L CA -1.024 53.889 54.840 0.123 0.000 0.820 42 L CB 3.094 45.176 42.059 0.038 0.000 1.334 42 L HN 0.354 8.568 8.230 -0.027 0.000 0.427 43 Y N -4.484 115.853 120.300 0.062 0.000 2.689 43 Y HA 0.979 5.710 4.550 0.062 -0.144 0.333 43 Y C -2.276 173.671 175.900 0.078 0.000 1.190 43 Y CA -2.343 55.812 58.100 0.091 0.000 1.063 43 Y CB 3.394 41.969 38.460 0.191 0.000 1.294 43 Y HN 1.138 9.332 8.280 0.040 0.110 0.466 44 T N -1.100 113.495 114.554 0.069 0.000 2.686 44 T HA 0.254 4.483 4.350 -0.202 0.000 0.308 44 T C -2.024 172.673 174.700 -0.005 0.000 1.667 44 T CA -1.308 60.754 62.100 -0.064 0.000 0.987 44 T CB 1.962 70.760 68.868 -0.115 0.000 1.652 44 T HN -0.296 8.123 8.240 0.297 0.000 0.496 45 I N -3.577 116.897 120.570 -0.160 0.000 2.970 45 I HA 0.235 4.001 4.170 -0.674 0.000 0.310 45 I C -0.438 175.504 176.117 -0.290 0.000 1.010 45 I CA -0.855 60.221 61.300 -0.375 0.000 1.228 45 I CB 1.271 39.068 38.000 -0.339 0.000 1.433 45 I HN 0.345 8.475 8.210 -0.134 0.000 0.573 46 M N -1.601 117.787 119.600 -0.352 0.000 2.541 46 M HA -0.038 4.322 4.480 -0.199 0.000 0.252 46 M C 1.459 177.660 176.300 -0.166 0.000 1.125 46 M CA 2.143 57.294 55.300 -0.247 0.000 1.091 46 M CB 0.240 32.664 32.600 -0.294 0.000 1.420 46 M HN 0.311 8.587 8.290 -0.472 -0.268 0.486 47 S N 2.467 118.065 115.700 -0.170 0.000 2.353 47 S HA -0.190 4.225 4.470 -0.092 0.000 0.222 47 S C -0.219 174.329 174.600 -0.086 0.000 1.035 47 S CA 2.541 60.674 58.200 -0.112 0.000 1.025 47 S CB 0.338 63.473 63.200 -0.109 0.000 0.902 47 S HN -0.288 8.075 8.310 -0.221 -0.185 0.440 48 K N -2.774 117.570 120.400 -0.092 0.000 2.615 48 K HA 0.373 4.655 4.320 -0.063 0.000 0.249 48 K C -1.997 174.557 176.600 -0.076 0.000 0.977 48 K CA -2.087 54.157 56.287 -0.071 0.000 0.833 48 K CB 2.061 34.526 32.500 -0.058 0.000 1.208 48 K HN -0.374 7.808 8.250 -0.113 0.000 0.443 49 P HA 0.127 4.502 4.420 -0.075 0.000 0.254 49 P C -1.301 175.966 177.300 -0.055 0.000 1.631 49 P CA 0.131 63.192 63.100 -0.064 0.000 0.861 49 P CB -0.528 31.140 31.700 -0.053 0.000 1.663 50 E N -1.447 118.720 120.200 -0.056 0.000 2.389 50 E HA -0.023 4.303 4.350 -0.041 0.000 0.199 50 E C -0.073 176.495 176.600 -0.053 0.000 0.978 50 E CA 0.333 56.705 56.400 -0.047 0.000 0.912 50 E CB 0.631 30.307 29.700 -0.040 0.000 0.907 50 E HN -0.243 7.945 8.360 -0.061 0.136 0.494 51 D N 1.269 121.628 120.400 -0.068 0.000 2.557 51 D HA 0.181 4.781 4.640 -0.066 0.000 0.236 51 D C -1.421 174.811 176.300 -0.114 0.000 1.154 51 D CA -1.472 52.480 54.000 -0.080 0.000 0.985 51 D CB -0.650 40.104 40.800 -0.078 0.000 1.010 51 D HN -0.612 7.714 8.370 -0.073 0.000 0.516 52 L N 2.783 123.947 121.223 -0.098 0.000 2.361 52 L HA 0.011 4.265 4.340 -0.143 0.000 0.278 52 L C 0.088 176.869 176.870 -0.149 0.000 1.113 52 L CA 0.418 55.188 54.840 -0.117 0.000 0.849 52 L CB -0.298 41.720 42.059 -0.067 0.000 1.155 52 L HN -0.344 7.843 8.230 -0.073 0.000 0.452 53 K N 5.580 125.819 120.400 -0.269 0.000 2.318 53 K HA 0.329 4.560 4.320 -0.148 0.000 0.249 53 K C -2.134 174.362 176.600 -0.173 0.000 0.942 53 K CA -1.392 54.728 56.287 -0.279 0.000 0.808 53 K CB 3.902 36.122 32.500 -0.466 0.000 1.189 53 K HN 0.580 8.616 8.250 -0.357 0.000 0.428 54 V N 2.022 121.933 119.914 -0.006 0.000 2.555 54 V HA 0.293 4.509 4.120 0.160 0.000 0.302 54 V C -0.946 175.261 176.094 0.188 0.000 1.038 54 V CA -2.519 59.846 62.300 0.108 0.000 0.887 54 V CB 2.427 34.285 31.823 0.058 0.000 0.991 54 V HN 0.221 8.403 8.190 -0.012 0.000 0.434 55 V N 9.033 129.091 119.914 0.239 0.000 2.508 55 V HA -0.019 4.229 4.120 0.213 0.000 0.281 55 V C -0.243 175.907 176.094 0.094 0.000 1.041 55 V CA 0.082 62.487 62.300 0.175 0.000 1.016 55 V CB -0.043 31.840 31.823 0.099 0.000 0.984 55 V HN -0.052 8.286 8.190 0.247 0.000 0.478 56 K N 7.727 128.169 120.400 0.070 0.000 2.414 56 K HA -0.147 4.195 4.320 0.037 0.000 0.272 56 K C 0.629 177.245 176.600 0.027 0.000 0.993 56 K CA 1.383 57.694 56.287 0.040 0.000 0.964 56 K CB 0.128 32.647 32.500 0.032 0.000 0.925 56 K HN 0.381 8.680 8.250 0.082 0.000 0.487 57 N N -1.214 117.496 118.700 0.017 0.000 2.884 57 N HA -0.349 4.390 4.740 -0.001 0.000 0.210 57 N C -0.522 175.000 175.510 0.020 0.000 0.941 57 N CA 2.033 55.087 53.050 0.007 0.000 1.131 57 N CB -1.264 37.221 38.487 -0.003 0.000 0.965 57 N HN 0.574 8.962 8.380 0.013 0.000 0.591 58 c N -1.512 117.117 118.600 0.048 0.000 2.625 58 c HA 0.116 4.754 4.570 0.112 0.000 0.285 58 c C -0.973 173.173 174.090 0.093 0.000 1.279 58 c CA -1.998 54.391 56.329 0.100 0.000 1.698 58 c CB -2.256 40.335 42.510 0.135 0.000 1.821 58 c HN 0.140 8.244 8.230 0.045 0.153 0.600 59 A N -0.201 122.650 122.820 0.051 0.000 2.317 59 A HA 0.103 4.444 4.320 0.035 0.000 0.327 59 A C -1.135 176.449 177.584 0.001 0.000 1.178 59 A CA -1.094 50.958 52.037 0.025 0.000 0.817 59 A CB 1.266 20.270 19.000 0.008 0.000 1.189 59 A HN -0.583 7.488 8.150 0.037 0.101 0.489 60 N N -0.656 118.032 118.700 -0.019 0.000 2.707 60 N HA -0.521 4.218 4.740 -0.001 0.000 0.253 60 N C -0.917 174.588 175.510 -0.007 0.000 0.998 60 N CA 1.508 54.531 53.050 -0.045 0.000 0.751 60 N CB -2.226 36.172 38.487 -0.149 0.000 0.920 60 N HN 0.244 8.614 8.380 -0.017 0.000 0.539 61 T N -1.052 113.540 114.554 0.063 0.000 2.950 61 T HA 0.335 4.690 4.350 0.009 0.000 0.288 61 T C -0.369 174.395 174.700 0.107 0.000 1.035 61 T CA -1.943 60.190 62.100 0.056 0.000 1.028 61 T CB 1.592 70.488 68.868 0.047 0.000 1.109 61 T HN -0.834 7.465 8.240 0.106 0.004 0.514 62 T N 1.176 115.766 114.554 0.060 0.000 3.144 62 T HA 0.252 4.850 4.350 0.110 -0.182 0.249 62 T C -0.101 174.640 174.700 0.069 0.000 1.089 62 T CA -1.237 60.907 62.100 0.075 0.000 0.989 62 T CB -0.049 68.838 68.868 0.032 0.000 0.992 62 T HN 0.253 8.504 8.240 0.018 0.000 0.540 63 R N 2.635 123.149 120.500 0.023 0.000 2.410 63 R HA 0.098 4.306 4.340 -0.219 0.000 0.288 63 R C 0.012 176.292 176.300 -0.033 0.000 1.051 63 R CA -0.140 55.856 56.100 -0.173 0.000 1.021 63 R CB 1.070 31.113 30.300 -0.428 0.000 1.032 63 R HN -0.882 7.329 8.270 0.046 0.087 0.481 64 S N -0.666 114.905 115.700 -0.214 0.000 2.575 64 S HA -0.035 4.383 4.470 -0.087 0.000 0.215 64 S C -1.291 172.728 174.600 -0.969 0.000 0.966 64 S CA 0.736 58.733 58.200 -0.339 0.000 0.911 64 S CB 0.375 63.503 63.200 -0.120 0.000 0.780 64 S HN 0.348 8.492 8.310 -0.276 0.000 0.514 65 F N -4.325 115.211 119.950 -0.691 0.000 2.613 65 F HA 0.887 4.829 4.527 -1.206 -0.138 0.310 65 F C -1.583 174.036 175.800 -0.303 0.000 1.085 65 F CA -2.426 55.148 58.000 -0.710 0.000 0.945 65 F CB 2.855 41.606 39.000 -0.416 0.000 1.298 65 F HN -0.833 6.821 8.300 -0.952 0.075 0.455 66 c N 3.328 121.922 118.600 -0.009 0.000 2.482 66 c HA 0.389 4.973 4.570 0.024 0.000 0.317 66 c C -2.222 171.862 174.090 -0.010 0.000 1.197 66 c CA -1.172 55.200 56.329 0.072 0.000 1.432 66 c CB 2.237 44.885 42.510 0.230 0.000 2.062 66 c HN 0.767 8.962 8.230 -0.057 0.000 0.471 67 D N 6.912 127.290 120.400 -0.036 0.000 2.342 67 D HA 0.854 5.531 4.640 -0.208 -0.162 0.243 67 D C -1.090 175.090 176.300 -0.199 0.000 1.019 67 D CA -1.315 52.605 54.000 -0.132 0.000 0.864 67 D CB 2.913 43.672 40.800 -0.068 0.000 1.315 67 D HN 0.243 8.610 8.370 -0.006 0.000 0.468 68 L N -3.807 117.232 121.223 -0.307 0.000 2.341 68 L HA 0.493 4.708 4.340 -0.209 0.000 0.254 68 L C -1.660 175.069 176.870 -0.234 0.000 1.040 68 L CA -0.827 53.827 54.840 -0.311 0.000 0.837 68 L CB 1.704 43.438 42.059 -0.542 0.000 1.425 68 L HN -0.004 8.014 8.230 -0.355 0.000 0.414 69 T N -1.259 113.210 114.554 -0.142 0.000 3.280 69 T HA 0.138 4.469 4.350 -0.032 0.000 0.256 69 T C 0.542 175.241 174.700 -0.001 0.000 0.995 69 T CA 0.816 62.893 62.100 -0.039 0.000 1.144 69 T CB 1.279 70.157 68.868 0.016 0.000 1.140 69 T HN 0.675 9.315 8.240 -0.133 -0.479 0.423 70 D N -1.221 119.182 120.400 0.005 0.000 2.469 70 D HA 0.138 4.809 4.640 0.052 0.000 0.213 70 D C 0.588 176.925 176.300 0.062 0.000 1.135 70 D CA -0.134 53.891 54.000 0.042 0.000 0.834 70 D CB 0.156 40.985 40.800 0.048 0.000 1.009 70 D HN -0.147 8.218 8.370 -0.009 0.000 0.507 71 E N -0.812 119.397 120.200 0.015 0.000 2.153 71 E HA -0.231 4.196 4.350 0.128 0.000 0.194 71 E C 0.524 177.242 176.600 0.197 0.000 0.988 71 E CA 1.964 58.404 56.400 0.066 0.000 0.811 71 E CB 0.051 29.699 29.700 -0.086 0.000 0.746 71 E HN 0.073 8.348 8.360 -0.051 0.055 0.466 72 W N -1.303 119.848 121.300 -0.249 0.000 2.292 72 W HA 0.271 4.666 4.660 -0.441 0.000 0.352 72 W C 0.211 176.738 176.519 0.013 0.000 0.962 72 W CA -2.271 54.883 57.345 -0.317 0.000 1.496 72 W CB -1.292 27.848 29.460 -0.534 0.000 1.381 72 W HN -0.214 7.982 8.180 0.058 0.018 0.363 73 R N 2.404 123.096 120.500 0.320 0.000 2.161 73 R HA -0.009 4.431 4.340 0.166 0.000 0.213 73 R C 1.002 177.430 176.300 0.213 0.000 1.055 73 R CA 0.105 56.338 56.100 0.221 0.000 0.996 73 R CB 0.576 30.980 30.300 0.172 0.000 0.901 73 R HN -0.211 8.284 8.270 0.375 0.000 0.456 74 S N 2.015 117.888 115.700 0.290 0.000 4.087 74 S HA 0.151 4.666 4.470 0.074 0.000 0.213 74 S C -0.106 174.574 174.600 0.132 0.000 1.415 74 S CA -0.301 57.952 58.200 0.088 0.000 0.893 74 S CB -0.604 62.439 63.200 -0.262 0.000 1.529 74 S HN 0.033 8.653 8.310 0.517 0.000 0.457 75 T N 1.495 116.147 114.554 0.162 0.000 3.072 75 T HA -0.082 4.380 4.350 0.187 0.000 0.266 75 T C 0.263 175.087 174.700 0.207 0.000 1.127 75 T CA 2.367 64.557 62.100 0.149 0.000 1.107 75 T CB 0.202 69.100 68.868 0.050 0.000 0.910 75 T HN -0.210 8.067 8.240 0.142 0.048 0.513 76 H N -0.874 118.238 119.070 0.070 0.000 2.550 76 H HA 0.368 5.082 4.556 0.262 0.000 0.304 76 H C -1.894 173.512 175.328 0.130 0.000 1.086 76 H CA -1.108 55.038 56.048 0.164 0.000 1.089 76 H CB -0.132 29.709 29.762 0.133 0.000 1.528 76 H HN -0.423 7.919 8.280 0.213 0.065 0.539 77 E N -2.315 117.784 120.200 -0.168 0.000 2.458 77 E HA 0.286 4.216 4.350 -0.699 0.000 0.278 77 E C -2.796 173.000 176.600 -1.339 0.000 1.004 77 E CA -1.595 54.366 56.400 -0.733 0.000 0.823 77 E CB 4.229 33.581 29.700 -0.580 0.000 1.396 77 E HN -0.726 7.477 8.360 -0.107 0.093 0.463 78 A N 0.932 122.808 122.820 -1.574 0.000 2.280 78 A HA 0.394 4.098 4.320 -1.182 -0.094 0.320 78 A C -1.057 176.051 177.584 -0.792 0.000 1.366 78 A CA -1.072 50.160 52.037 -1.341 0.000 0.938 78 A CB 0.719 18.765 19.000 -1.589 0.000 1.157 78 A HN 0.212 7.594 8.150 -1.280 0.000 0.536 79 Y N 4.182 124.094 120.300 -0.647 0.000 2.393 79 Y HA -0.095 4.305 4.550 -0.487 -0.142 0.338 79 Y C 0.204 175.928 175.900 -0.293 0.000 1.029 79 Y CA 0.502 58.245 58.100 -0.595 0.000 1.239 79 Y CB 0.557 38.263 38.460 -1.257 0.000 1.170 79 Y HN -0.203 7.784 8.280 -0.489 0.000 0.515 80 V N 5.058 124.944 119.914 -0.046 0.000 2.686 80 V HA -0.040 4.088 4.120 0.013 0.000 0.295 80 V C -0.317 175.837 176.094 0.100 0.000 1.055 80 V CA 0.477 62.784 62.300 0.013 0.000 1.050 80 V CB -0.208 31.597 31.823 -0.030 0.000 0.984 80 V HN 0.031 8.166 8.190 -0.091 0.000 0.482 81 T N 6.976 121.586 114.554 0.093 0.000 2.797 81 T HA 0.304 4.705 4.350 0.085 0.000 0.279 81 T C -1.907 172.730 174.700 -0.105 0.000 0.991 81 T CA -0.493 61.615 62.100 0.013 0.000 0.979 81 T CB 1.995 70.837 68.868 -0.044 0.000 0.943 81 T HN 0.377 8.560 8.240 0.095 0.114 0.444 82 V N 6.544 126.395 119.914 -0.104 0.000 2.686 82 V HA 0.790 5.057 4.120 -0.046 -0.174 0.306 82 V C -3.257 172.778 176.094 -0.099 0.000 1.065 82 V CA -2.505 59.753 62.300 -0.070 0.000 0.894 82 V CB 3.936 35.754 31.823 -0.009 0.000 1.004 82 V HN 0.062 8.220 8.190 -0.054 0.000 0.424 83 L N 8.116 129.322 121.223 -0.029 0.000 2.362 83 L HA 0.642 5.006 4.340 -0.181 -0.132 0.275 83 L C -2.441 174.379 176.870 -0.084 0.000 0.998 83 L CA -1.324 53.471 54.840 -0.076 0.000 0.820 83 L CB 3.960 46.048 42.059 0.048 0.000 1.270 83 L HN -0.111 8.173 8.230 0.091 0.000 0.415 84 E N 5.355 125.472 120.200 -0.138 0.000 2.092 84 E HA 0.349 4.511 4.350 -0.314 0.000 0.271 84 E C -0.612 175.782 176.600 -0.343 0.000 0.919 84 E CA -1.401 54.849 56.400 -0.251 0.000 0.760 84 E CB 1.567 31.199 29.700 -0.113 0.000 1.106 84 E HN 0.134 8.422 8.360 -0.119 0.000 0.408 85 G N 2.849 111.255 108.800 -0.657 0.000 2.356 85 G HA2 0.305 4.172 3.960 -0.155 0.000 0.300 85 G HA3 0.305 3.520 3.960 -1.242 0.000 0.300 85 G C -2.441 172.063 174.900 -0.660 0.000 1.107 85 G CA -0.591 44.110 45.100 -0.664 0.000 0.960 85 G HN 0.536 8.366 8.290 -0.767 0.000 0.418 86 F N 5.629 125.349 119.950 -0.384 0.000 2.427 86 F HA 0.335 4.862 4.527 -0.219 -0.132 0.346 86 F C 0.337 175.864 175.800 -0.455 0.000 1.120 86 F CA -1.035 56.753 58.000 -0.353 0.000 1.033 86 F CB 2.339 41.183 39.000 -0.260 0.000 1.126 86 F HN -0.014 8.212 8.300 -0.125 0.000 0.462 87 S N 6.329 122.001 115.700 -0.046 0.000 3.315 87 S HA 0.182 4.603 4.470 -0.082 0.000 0.195 87 S C -0.009 174.664 174.600 0.122 0.000 1.394 87 S CA -0.199 57.997 58.200 -0.006 0.000 0.983 87 S CB -0.821 62.394 63.200 0.025 0.000 1.370 87 S HN 0.861 9.065 8.310 -0.005 0.103 0.491 88 G N 6.256 115.239 108.800 0.306 0.000 5.347 88 G HA2 -0.467 3.725 3.960 0.386 0.000 0.299 88 G HA3 -0.467 3.598 3.960 0.174 0.000 0.299 88 G C -0.877 174.176 174.900 0.254 0.000 1.492 88 G CA 1.049 46.344 45.100 0.325 0.000 0.991 88 G HN 0.156 8.610 8.290 0.339 0.039 0.749 89 N N 1.051 119.857 118.700 0.178 0.000 2.390 89 N HA 0.223 5.048 4.740 0.141 0.000 0.259 89 N C -1.882 173.730 175.510 0.170 0.000 1.395 89 N CA 0.458 53.592 53.050 0.140 0.000 0.852 89 N CB 2.335 40.861 38.487 0.064 0.000 1.371 89 N HN -0.087 8.351 8.380 0.150 0.032 0.491 90 T N 0.387 115.069 114.554 0.214 0.000 3.041 90 T HA 0.163 4.614 4.350 0.168 0.000 0.321 90 T C -1.829 172.912 174.700 0.068 0.000 1.184 90 T CA -0.736 61.453 62.100 0.149 0.000 1.050 90 T CB 2.027 70.939 68.868 0.074 0.000 1.159 90 T HN -0.642 7.742 8.240 0.240 0.000 0.469 91 T N 7.261 121.762 114.554 -0.089 0.000 2.901 91 T HA 0.081 4.127 4.350 -0.757 -0.151 0.301 91 T C -0.811 173.739 174.700 -0.249 0.000 1.012 91 T CA 1.523 63.350 62.100 -0.454 0.000 1.135 91 T CB 0.484 69.002 68.868 -0.583 0.000 0.936 91 T HN 0.464 8.698 8.240 -0.009 0.000 0.539 92 L N 7.225 128.275 121.223 -0.288 0.000 2.347 92 L HA 0.256 4.590 4.340 -0.010 0.000 0.196 92 L C -1.363 175.532 176.870 0.040 0.000 1.072 92 L CA 0.909 55.710 54.840 -0.066 0.000 0.817 92 L CB 1.698 43.792 42.059 0.058 0.000 1.029 92 L HN 0.893 8.724 8.230 -0.477 0.113 0.478 93 F N -7.028 112.860 119.950 -0.103 0.000 2.662 93 F HA 0.398 4.885 4.527 -0.067 0.000 0.312 93 F C -2.465 173.287 175.800 -0.079 0.000 1.113 93 F CA -1.598 56.359 58.000 -0.070 0.000 0.951 93 F CB 1.939 40.920 39.000 -0.031 0.000 1.344 93 F HN -0.645 7.225 8.300 -0.717 0.000 0.462 94 S N 1.140 116.933 115.700 0.153 0.000 2.737 94 S HA 0.674 5.393 4.470 0.038 -0.226 0.269 94 S C -0.629 174.081 174.600 0.183 0.000 1.150 94 S CA -0.342 57.907 58.200 0.082 0.000 1.077 94 S CB 1.712 64.895 63.200 -0.029 0.000 1.075 94 S HN -0.056 8.391 8.310 0.228 0.000 0.476 95 c N 4.475 123.245 118.600 0.283 0.000 2.365 95 c HA 0.375 5.058 4.570 0.189 0.000 0.349 95 c C -0.774 173.481 174.090 0.275 0.000 1.191 95 c CA -0.892 55.604 56.329 0.279 0.000 2.114 95 c CB 1.871 44.581 42.510 0.333 0.000 2.367 95 c HN 0.327 8.765 8.230 0.347 0.000 0.530 96 S N 2.211 118.030 115.700 0.197 0.000 2.472 96 S HA 0.613 5.278 4.470 0.124 -0.120 0.303 96 S C -1.108 173.584 174.600 0.153 0.000 1.099 96 S CA -0.695 57.586 58.200 0.135 0.000 1.077 96 S CB 1.562 64.790 63.200 0.047 0.000 1.031 96 S HN 0.143 8.545 8.310 0.152 0.000 0.487 97 H N 3.465 122.571 119.070 0.060 0.000 2.966 97 H HA 0.349 4.902 4.556 -0.005 0.000 0.330 97 H C -2.269 173.001 175.328 -0.098 0.000 1.292 97 H CA -0.541 55.512 56.048 0.008 0.000 1.127 97 H CB 4.541 34.406 29.762 0.172 0.000 1.863 97 H HN 0.767 9.125 8.280 0.129 0.000 0.543 98 N N -1.400 117.377 118.700 0.127 0.000 2.371 98 N HA 0.131 4.903 4.740 0.053 0.000 0.280 98 N C -2.118 173.244 175.510 -0.248 0.000 1.084 98 N CA -0.007 53.027 53.050 -0.026 0.000 0.892 98 N CB 3.187 41.647 38.487 -0.046 0.000 1.653 98 N HN 0.044 8.760 8.380 0.559 0.000 0.480 99 F N 1.932 121.937 119.950 0.091 0.000 2.556 99 F HA 0.287 4.930 4.527 0.192 0.000 0.314 99 F C -1.221 174.610 175.800 0.053 0.000 1.106 99 F CA -0.854 57.220 58.000 0.123 0.000 0.911 99 F CB 4.074 43.154 39.000 0.134 0.000 1.190 99 F HN -0.338 8.067 8.300 0.175 0.000 0.448 100 W N 2.250 123.689 121.300 0.232 0.000 2.314 100 W HA 0.187 4.900 4.660 0.088 0.000 0.310 100 W C 0.089 176.696 176.519 0.147 0.000 1.075 100 W CA -0.744 56.680 57.345 0.131 0.000 1.253 100 W CB 1.582 31.088 29.460 0.077 0.000 1.238 100 W HN 0.302 8.788 8.180 0.511 0.000 0.440 101 L N 6.611 128.101 121.223 0.445 0.000 2.131 101 L HA -0.305 4.211 4.340 0.294 0.000 0.210 101 L C 1.156 178.213 176.870 0.312 0.000 1.092 101 L CA 2.682 57.727 54.840 0.342 0.000 0.759 101 L CB -0.105 42.110 42.059 0.260 0.000 0.903 101 L HN 0.534 8.911 8.230 0.244 0.000 0.435 102 A N -5.136 117.924 122.820 0.401 0.000 2.235 102 A HA -0.167 4.049 4.320 -0.174 0.000 0.208 102 A C -0.423 177.169 177.584 0.015 0.000 1.172 102 A CA 1.223 53.249 52.037 -0.019 0.000 0.786 102 A CB -0.608 18.248 19.000 -0.239 0.000 0.804 102 A HN -0.028 8.620 8.150 0.861 0.019 0.479 103 I N -4.166 116.513 120.570 0.181 0.000 3.883 103 I HA -0.144 4.094 4.170 0.114 0.000 0.305 103 I C -0.719 175.516 176.117 0.197 0.000 1.247 103 I CA 1.763 63.162 61.300 0.164 0.000 1.350 103 I CB 2.131 40.238 38.000 0.179 0.000 1.194 103 I HN -0.461 7.730 8.210 0.317 0.210 0.441 104 D N -0.059 120.483 120.400 0.237 0.000 2.541 104 D HA -0.096 4.662 4.640 0.197 0.000 0.261 104 D C 0.346 176.751 176.300 0.174 0.000 1.415 104 D CA 1.399 55.525 54.000 0.211 0.000 1.059 104 D CB 1.397 42.340 40.800 0.238 0.000 0.971 104 D HN -0.265 8.274 8.370 0.281 0.000 0.308 105 M N -1.842 117.850 119.600 0.152 0.000 2.297 105 M HA -0.293 4.223 4.480 0.060 0.000 0.200 105 M C -1.151 175.206 176.300 0.096 0.000 0.414 105 M CA 0.112 55.482 55.300 0.115 0.000 0.449 105 M CB -0.849 31.867 32.600 0.193 0.000 1.436 105 M HN 0.031 8.418 8.290 0.161 0.000 0.912 106 S N 0.869 116.612 115.700 0.071 0.000 2.611 106 S HA -0.188 4.372 4.470 0.150 0.000 0.317 106 S C -1.021 173.645 174.600 0.111 0.000 1.208 106 S CA 1.712 59.971 58.200 0.098 0.000 1.217 106 S CB -0.355 62.881 63.200 0.060 0.000 1.085 106 S HN -0.101 8.568 8.310 0.058 -0.324 0.529 107 F N 7.450 127.479 119.950 0.131 0.000 2.291 107 F HA 0.378 5.145 4.527 0.142 -0.154 0.368 107 F C -0.619 175.266 175.800 0.143 0.000 1.085 107 F CA -2.031 56.059 58.000 0.150 0.000 1.165 107 F CB 0.862 39.972 39.000 0.183 0.000 1.429 107 F HN -0.184 8.321 8.300 0.342 0.000 0.503 108 E N 4.609 125.035 120.200 0.377 0.000 2.288 108 E HA 0.313 4.826 4.350 0.272 0.000 0.200 108 E C -1.102 175.642 176.600 0.240 0.000 0.880 108 E CA 0.353 56.912 56.400 0.264 0.000 0.971 108 E CB -0.754 29.047 29.700 0.169 0.000 0.954 108 E HN -0.224 8.338 8.360 0.336 0.000 0.489 109 P HA -0.118 4.338 4.420 0.060 0.000 0.218 109 P C -2.047 175.313 177.300 0.101 0.000 1.154 109 P CA 0.922 64.095 63.100 0.122 0.000 0.872 109 P CB -1.194 30.575 31.700 0.115 0.000 0.790 110 P HA -0.210 4.215 4.420 0.008 0.000 0.260 110 P C -1.046 176.252 177.300 -0.003 0.000 1.172 110 P CA 0.223 63.335 63.100 0.021 0.000 0.760 110 P CB 0.326 31.970 31.700 -0.093 0.000 0.773 111 E N 3.969 124.107 120.200 -0.103 0.000 2.354 111 E HA 0.007 4.125 4.350 -0.388 0.000 0.269 111 E C -1.417 175.085 176.600 -0.163 0.000 1.036 111 E CA -0.342 55.923 56.400 -0.226 0.000 0.876 111 E CB 1.608 31.195 29.700 -0.187 0.000 1.009 111 E HN 0.174 8.478 8.360 -0.092 0.000 0.416 112 F N 0.209 120.075 119.950 -0.139 0.000 2.556 112 F HA 0.710 5.240 4.527 -0.176 -0.108 0.314 112 F C -1.854 173.906 175.800 -0.068 0.000 1.106 112 F CA -2.782 55.135 58.000 -0.138 0.000 0.911 112 F CB 2.878 41.788 39.000 -0.149 0.000 1.190 112 F HN 0.068 7.764 8.300 -1.007 0.000 0.448 113 E N 0.329 120.592 120.200 0.105 0.000 2.299 113 E HA 0.478 4.851 4.350 0.038 0.000 0.265 113 E C -1.882 174.795 176.600 0.129 0.000 0.911 113 E CA -1.650 54.792 56.400 0.069 0.000 0.789 113 E CB 4.878 34.589 29.700 0.018 0.000 1.246 113 E HN 0.729 9.041 8.360 0.108 0.113 0.427 114 I N -3.560 117.079 120.570 0.115 0.000 2.644 114 I HA 0.855 5.306 4.170 0.148 -0.192 0.291 114 I C -1.380 174.792 176.117 0.091 0.000 1.180 114 I CA -1.603 59.791 61.300 0.158 0.000 1.040 114 I CB 3.099 41.283 38.000 0.308 0.000 1.255 114 I HN 0.164 8.416 8.210 0.071 0.000 0.422 115 V N 4.946 124.878 119.914 0.030 0.000 2.409 115 V HA 0.305 4.330 4.120 -0.158 0.000 0.291 115 V C -0.859 175.069 176.094 -0.277 0.000 1.020 115 V CA -1.422 60.769 62.300 -0.181 0.000 0.848 115 V CB 2.271 33.902 31.823 -0.321 0.000 0.990 115 V HN 0.910 9.024 8.190 0.063 0.114 0.430 116 G N 4.882 113.546 108.800 -0.227 0.000 2.329 116 G HA2 0.512 4.429 3.960 -0.071 0.000 0.309 116 G HA3 0.512 4.543 3.960 0.118 0.000 0.309 116 G C -0.967 173.702 174.900 -0.384 0.000 1.110 116 G CA -0.974 44.050 45.100 -0.126 0.000 0.923 116 G HN 0.232 8.403 8.290 -0.197 0.000 0.430 117 F N 6.163 126.002 119.950 -0.186 0.000 2.355 117 F HA 0.104 4.532 4.527 -0.165 0.000 0.340 117 F C 0.260 175.950 175.800 -0.184 0.000 1.067 117 F CA -0.733 57.102 58.000 -0.275 0.000 1.116 117 F CB 1.725 40.313 39.000 -0.688 0.000 1.582 117 F HN 0.293 8.513 8.300 -0.134 0.000 0.512 118 T N -1.516 113.092 114.554 0.089 0.000 2.867 118 T HA -0.221 4.159 4.350 0.050 0.000 0.268 118 T C 0.131 174.864 174.700 0.054 0.000 1.057 118 T CA 3.349 65.485 62.100 0.060 0.000 1.136 118 T CB 0.157 69.067 68.868 0.070 0.000 0.874 118 T HN -0.030 8.299 8.240 0.149 0.000 0.466 119 N N -5.855 112.881 118.700 0.061 0.000 2.008 119 N HA -0.022 4.756 4.740 0.064 0.000 0.228 119 N C -2.290 173.296 175.510 0.128 0.000 1.375 119 N CA -0.147 52.961 53.050 0.096 0.000 0.856 119 N CB 1.557 40.117 38.487 0.121 0.000 1.096 119 N HN -0.323 8.045 8.380 0.016 0.021 0.489 120 H N -4.355 114.758 119.070 0.071 0.000 2.865 120 H HA 0.754 5.408 4.556 -0.036 -0.119 0.372 120 H C -2.092 173.299 175.328 0.105 0.000 1.173 120 H CA -2.106 53.961 56.048 0.031 0.000 1.147 120 H CB 2.647 32.397 29.762 -0.021 0.000 1.805 120 H HN -0.715 7.447 8.280 -0.196 0.000 0.553 121 I N -0.736 119.856 120.570 0.036 0.000 2.378 121 I HA 0.329 4.611 4.170 -0.063 -0.150 0.291 121 I C -1.249 174.901 176.117 0.056 0.000 0.992 121 I CA -1.164 60.086 61.300 -0.084 0.000 1.154 121 I CB 2.312 40.037 38.000 -0.458 0.000 1.315 121 I HN 0.818 8.929 8.210 0.019 0.110 0.448 122 N N 7.776 126.571 118.700 0.159 0.000 2.527 122 N HA 0.363 5.312 4.740 0.171 -0.106 0.236 122 N C -0.777 174.817 175.510 0.140 0.000 0.999 122 N CA -0.832 52.342 53.050 0.207 0.000 0.935 122 N CB 0.780 39.500 38.487 0.389 0.000 1.132 122 N HN 0.826 9.168 8.380 0.113 0.106 0.511 123 V N 4.932 124.930 119.914 0.140 0.000 2.498 123 V HA 0.045 4.367 4.120 0.158 -0.107 0.279 123 V C -1.635 174.579 176.094 0.201 0.000 1.048 123 V CA 0.232 62.637 62.300 0.174 0.000 0.967 123 V CB 1.072 33.024 31.823 0.214 0.000 0.988 123 V HN 1.105 9.267 8.190 0.122 0.102 0.473 124 M N 9.549 129.247 119.600 0.163 0.000 2.007 124 M HA 0.516 5.317 4.480 0.188 -0.208 0.285 124 M C -2.138 174.218 176.300 0.094 0.000 0.893 124 M CA -1.520 53.867 55.300 0.144 0.000 0.925 124 M CB 2.429 35.094 32.600 0.108 0.000 1.568 124 M HN 1.059 9.334 8.290 0.150 0.105 0.414 125 V N 8.153 128.110 119.914 0.071 0.000 2.465 125 V HA 0.044 4.117 4.120 -0.078 0.000 0.279 125 V C -1.002 174.956 176.094 -0.226 0.000 1.045 125 V CA -0.179 62.029 62.300 -0.152 0.000 0.938 125 V CB 0.876 32.433 31.823 -0.443 0.000 0.986 125 V HN 0.828 9.027 8.190 0.186 0.103 0.467 126 K N 8.239 128.484 120.400 -0.260 0.000 2.206 126 K HA 0.204 4.494 4.320 -0.050 0.000 0.268 126 K C -1.401 175.068 176.600 -0.218 0.000 1.111 126 K CA -0.967 55.228 56.287 -0.154 0.000 0.955 126 K CB -0.974 31.477 32.500 -0.081 0.000 1.406 126 K HN 0.735 8.741 8.250 -0.231 0.106 0.427 127 F N 3.608 123.587 119.950 0.048 0.000 2.399 127 F HA 0.242 4.746 4.527 -0.038 0.000 0.328 127 F C -1.719 174.129 175.800 0.080 0.000 1.084 127 F CA -2.734 55.278 58.000 0.020 0.000 1.053 127 F CB 0.674 39.680 39.000 0.010 0.000 1.209 127 F HN -0.033 8.233 8.300 0.106 0.098 0.502 128 P HA -0.065 4.495 4.420 0.234 0.000 0.263 128 P C -1.472 176.008 177.300 0.300 0.000 1.195 128 P CA -0.470 62.823 63.100 0.322 0.000 0.762 128 P CB 0.011 31.984 31.700 0.454 0.000 0.799 129 S N 2.245 118.079 115.700 0.222 0.000 2.465 129 S HA 0.052 4.900 4.470 0.156 -0.284 0.307 129 S C -0.543 174.156 174.600 0.166 0.000 1.187 129 S CA -0.019 58.282 58.200 0.168 0.000 1.141 129 S CB -0.229 63.044 63.200 0.123 0.000 1.108 129 S HN 0.199 8.626 8.310 0.195 0.000 0.525 130 I N 3.657 124.304 120.570 0.129 0.000 2.913 130 I HA 0.267 4.471 4.170 0.057 0.000 0.302 130 I C -2.370 173.761 176.117 0.023 0.000 1.246 130 I CA -1.365 59.970 61.300 0.058 0.000 1.010 130 I CB 3.765 41.751 38.000 -0.025 0.000 1.259 130 I HN -0.463 7.824 8.210 0.128 0.000 0.434 131 V N 5.015 124.927 119.914 -0.004 0.000 2.455 131 V HA 0.030 4.154 4.120 0.008 0.000 0.273 131 V C 0.583 176.668 176.094 -0.014 0.000 1.045 131 V CA 0.296 62.594 62.300 -0.004 0.000 0.976 131 V CB 0.454 32.275 31.823 -0.004 0.000 0.993 131 V HN 0.568 8.749 8.190 -0.015 0.000 0.475 132 E N 7.933 128.133 120.200 -0.000 0.000 2.268 132 E HA -0.306 4.054 4.350 0.017 0.000 0.195 132 E C 1.222 177.825 176.600 0.005 0.000 0.995 132 E CA 2.542 58.947 56.400 0.008 0.000 0.836 132 E CB -0.379 29.327 29.700 0.009 0.000 0.763 132 E HN 0.794 9.156 8.360 0.003 0.000 0.491 133 E N -1.365 118.834 120.200 -0.002 0.000 2.494 133 E HA -0.122 4.229 4.350 0.002 0.000 0.193 133 E C 0.047 176.642 176.600 -0.008 0.000 1.074 133 E CA 0.898 57.297 56.400 -0.002 0.000 0.867 133 E CB -0.649 29.051 29.700 -0.001 0.000 0.924 133 E HN 0.457 8.773 8.360 -0.003 0.043 0.502 134 E N -1.833 118.356 120.200 -0.019 0.000 2.810 134 E HA 0.121 4.459 4.350 -0.020 0.000 0.214 134 E C -1.210 175.357 176.600 -0.055 0.000 0.980 134 E CA -0.214 56.167 56.400 -0.031 0.000 1.159 134 E CB 1.214 30.893 29.700 -0.035 0.000 1.047 134 E HN -0.380 7.765 8.360 -0.021 0.203 0.484 135 L N -1.114 120.083 121.223 -0.043 0.000 2.676 135 L HA 0.139 4.435 4.340 -0.074 0.000 0.262 135 L C -1.927 174.941 176.870 -0.004 0.000 0.932 135 L CA 0.709 55.512 54.840 -0.060 0.000 0.932 135 L CB 2.706 44.689 42.059 -0.127 0.000 1.355 135 L HN -0.833 7.385 8.230 -0.020 0.000 0.421 136 Q N 6.521 126.309 119.800 -0.019 0.000 2.344 136 Q HA 0.002 4.365 4.340 0.037 0.000 0.253 136 Q C -1.677 174.351 176.000 0.047 0.000 1.050 136 Q CA 0.592 56.402 55.803 0.011 0.000 0.912 136 Q CB 0.021 28.748 28.738 -0.018 0.000 1.258 136 Q HN 0.261 8.505 8.270 -0.044 0.000 0.443 137 F N 7.862 127.810 119.950 -0.002 0.000 2.771 137 F HA 0.222 4.773 4.527 0.039 0.000 0.365 137 F C -1.634 174.187 175.800 0.035 0.000 1.169 137 F CA -1.318 56.697 58.000 0.025 0.000 1.093 137 F CB 1.698 40.717 39.000 0.031 0.000 1.363 137 F HN 0.006 8.429 8.300 0.205 0.000 0.496 138 D N 7.213 127.845 120.400 0.385 0.000 2.396 138 D HA 0.258 5.005 4.640 0.177 0.000 0.225 138 D C -1.487 175.022 176.300 0.348 0.000 1.121 138 D CA -0.545 53.617 54.000 0.271 0.000 0.853 138 D CB 0.279 41.221 40.800 0.237 0.000 1.043 138 D HN 0.130 8.717 8.370 0.361 0.000 0.500 139 L N -1.556 119.776 121.223 0.181 0.000 2.838 139 L HA 0.458 4.999 4.340 0.335 0.000 0.266 139 L C -1.977 174.892 176.870 -0.002 0.000 1.040 139 L CA -0.833 54.094 54.840 0.145 0.000 0.906 139 L CB 2.912 44.987 42.059 0.027 0.000 1.501 139 L HN -0.555 7.727 8.230 0.088 0.000 0.407 140 S N 0.663 116.351 115.700 -0.020 0.000 2.718 140 S HA 0.348 4.763 4.470 -0.092 0.000 0.294 140 S C -1.009 173.491 174.600 -0.166 0.000 1.157 140 S CA -1.090 57.058 58.200 -0.087 0.000 1.121 140 S CB 1.309 64.468 63.200 -0.068 0.000 1.015 140 S HN 0.115 8.445 8.310 0.033 0.000 0.479 141 L N 7.567 128.655 121.223 -0.224 0.000 2.410 141 L HA 0.042 4.313 4.340 -0.303 -0.112 0.273 141 L C -1.398 175.231 176.870 -0.402 0.000 1.144 141 L CA 0.573 55.218 54.840 -0.324 0.000 0.863 141 L CB 0.252 42.078 42.059 -0.390 0.000 1.140 141 L HN 0.756 8.867 8.230 -0.197 0.000 0.463 142 V N 6.342 125.924 119.914 -0.554 0.000 2.448 142 V HA 0.320 4.318 4.120 -0.424 -0.133 0.295 142 V C -0.976 174.814 176.094 -0.507 0.000 1.025 142 V CA -2.102 59.830 62.300 -0.613 0.000 0.859 142 V CB 1.849 33.088 31.823 -0.973 0.000 0.988 142 V HN 1.089 8.799 8.190 -0.608 0.115 0.431 143 I N 7.180 127.574 120.570 -0.293 0.000 2.301 143 I HA 0.306 4.490 4.170 -0.173 -0.119 0.292 143 I C -0.640 175.531 176.117 0.090 0.000 1.046 143 I CA -2.716 58.509 61.300 -0.126 0.000 1.282 143 I CB -1.450 36.489 38.000 -0.101 0.000 1.409 143 I HN 1.140 9.078 8.210 -0.274 0.108 0.484 144 E N 9.330 129.617 120.200 0.143 0.000 2.313 144 E HA 0.163 4.782 4.350 0.236 -0.127 0.276 144 E C -1.566 175.143 176.600 0.183 0.000 1.031 144 E CA -0.364 56.164 56.400 0.213 0.000 0.857 144 E CB 2.135 31.965 29.700 0.217 0.000 1.040 144 E HN 0.611 9.024 8.360 0.089 0.000 0.408 145 E N 6.241 126.561 120.200 0.200 0.000 2.238 145 E HA 0.389 4.866 4.350 0.212 0.000 0.267 145 E C -2.291 174.403 176.600 0.157 0.000 0.887 145 E CA -1.478 55.047 56.400 0.209 0.000 0.769 145 E CB 4.200 34.074 29.700 0.290 0.000 1.187 145 E HN 0.831 9.183 8.360 0.175 0.113 0.416 146 Q N 7.416 127.318 119.800 0.169 0.000 3.605 146 Q HA 0.571 5.203 4.340 0.102 -0.231 0.222 146 Q C -1.021 175.068 176.000 0.150 0.000 0.915 146 Q CA -1.203 54.676 55.803 0.126 0.000 0.731 146 Q CB 1.944 30.735 28.738 0.088 0.000 1.423 146 Q HN 0.559 8.963 8.270 0.222 0.000 0.446 147 S N 6.516 122.306 115.700 0.150 0.000 2.416 147 S HA 0.285 4.996 4.470 0.208 -0.117 0.287 147 S C 0.465 175.124 174.600 0.098 0.000 1.139 147 S CA 0.240 58.533 58.200 0.154 0.000 1.058 147 S CB 0.537 63.820 63.200 0.138 0.000 0.967 147 S HN 0.131 8.520 8.310 0.133 0.000 0.495 148 E N 5.065 125.315 120.200 0.083 0.000 2.971 148 E HA -0.460 4.104 4.350 0.043 -0.189 0.278 148 E C -0.230 176.395 176.600 0.042 0.000 1.009 148 E CA 1.566 57.997 56.400 0.053 0.000 0.862 148 E CB -1.780 27.950 29.700 0.049 0.000 1.436 148 E HN 1.225 9.606 8.360 0.093 0.035 0.434 149 G N -5.054 103.773 108.800 0.045 0.000 2.213 149 G HA2 -0.444 3.535 3.960 0.031 0.000 0.226 149 G HA3 -0.444 3.533 3.960 0.027 0.000 0.226 149 G C -0.558 174.364 174.900 0.037 0.000 0.992 149 G CA -0.024 45.097 45.100 0.034 0.000 0.632 149 G HN 0.276 8.563 8.290 0.057 0.038 0.511 150 I N 3.748 124.346 120.570 0.047 0.000 2.421 150 I HA -0.177 4.013 4.170 0.033 0.000 0.291 150 I C -0.660 175.488 176.117 0.051 0.000 1.089 150 I CA 0.687 62.013 61.300 0.045 0.000 1.354 150 I CB -0.205 37.825 38.000 0.049 0.000 1.413 150 I HN -0.303 7.752 8.210 0.054 0.187 0.513 151 V N 8.796 128.731 119.914 0.035 0.000 2.461 151 V HA 0.190 4.506 4.120 0.049 -0.168 0.275 151 V C -0.353 175.754 176.094 0.022 0.000 1.047 151 V CA -0.020 62.299 62.300 0.033 0.000 0.955 151 V CB 0.509 32.341 31.823 0.014 0.000 0.988 151 V HN 0.313 8.519 8.190 0.026 0.000 0.471 152 K N 8.640 129.057 120.400 0.029 0.000 2.482 152 K HA 0.466 4.752 4.320 -0.056 0.000 0.257 152 K C -2.274 174.293 176.600 -0.054 0.000 0.969 152 K CA -1.440 54.825 56.287 -0.037 0.000 0.842 152 K CB 4.428 36.911 32.500 -0.028 0.000 1.359 152 K HN 1.030 9.209 8.250 0.060 0.107 0.441 153 K N 1.690 121.976 120.400 -0.191 0.000 2.482 153 K HA 0.615 5.107 4.320 0.042 -0.147 0.251 153 K C -1.483 174.936 176.600 -0.301 0.000 0.936 153 K CA -1.184 55.045 56.287 -0.097 0.000 0.791 153 K CB 2.949 35.496 32.500 0.077 0.000 1.213 153 K HN 0.148 8.239 8.250 -0.265 0.000 0.428 154 H N 4.002 123.085 119.070 0.022 0.000 2.658 154 H HA 0.339 4.911 4.556 0.026 0.000 0.337 154 H C -1.530 173.695 175.328 -0.173 0.000 1.009 154 H CA -0.486 55.559 56.048 -0.006 0.000 1.231 154 H CB 3.226 33.081 29.762 0.155 0.000 1.508 154 H HN 0.818 9.061 8.280 0.121 0.110 0.517 155 K N 5.624 125.993 120.400 -0.052 0.000 2.473 155 K HA 0.635 4.943 4.320 -0.226 -0.124 0.246 155 K C -2.065 174.484 176.600 -0.085 0.000 1.011 155 K CA -3.196 53.009 56.287 -0.138 0.000 0.984 155 K CB -0.207 32.211 32.500 -0.137 0.000 1.250 155 K HN 0.272 8.524 8.250 0.003 0.000 0.454 156 P HA 0.093 4.524 4.420 0.017 0.000 0.328 156 P C -1.025 176.295 177.300 0.034 0.000 1.305 156 P CA -1.415 61.673 63.100 -0.020 0.000 0.745 156 P CB 0.949 32.610 31.700 -0.065 0.000 1.462 157 E N 0.056 120.278 120.200 0.037 0.000 2.104 157 E HA -0.066 4.288 4.350 0.007 0.000 0.278 157 E C -0.291 176.322 176.600 0.022 0.000 1.127 157 E CA 0.167 56.574 56.400 0.011 0.000 0.897 157 E CB -1.095 28.597 29.700 -0.013 0.000 1.043 157 E HN 0.168 8.550 8.360 0.037 0.000 0.410 158 I N 0.967 121.563 120.570 0.043 0.000 2.617 158 I HA -0.088 4.228 4.170 0.242 0.000 0.256 158 I C 0.444 176.553 176.117 -0.015 0.000 1.167 158 I CA -0.027 61.315 61.300 0.069 0.000 1.469 158 I CB 0.402 38.397 38.000 -0.009 0.000 1.098 158 I HN -0.069 8.152 8.210 0.018 0.000 0.436 159 K N 0.634 121.017 120.400 -0.027 0.000 2.430 159 K HA -0.268 4.035 4.320 -0.029 0.000 0.280 159 K C 1.131 177.702 176.600 -0.048 0.000 1.063 159 K CA 1.403 57.671 56.287 -0.032 0.000 1.071 159 K CB -1.110 31.377 32.500 -0.021 0.000 0.899 159 K HN -0.492 7.721 8.250 -0.019 0.025 0.473 160 G N 5.289 114.062 108.800 -0.045 0.000 2.155 160 G HA2 -0.408 3.532 3.960 -0.034 0.000 0.257 160 G HA3 -0.408 3.524 3.960 -0.048 0.000 0.257 160 G C -0.274 174.574 174.900 -0.087 0.000 0.983 160 G CA 0.602 45.672 45.100 -0.050 0.000 0.676 160 G HN 0.622 9.068 8.290 -0.035 -0.177 0.528 161 N N -1.151 117.476 118.700 -0.122 0.000 2.193 161 N HA 0.030 4.629 4.740 -0.234 0.000 0.210 161 N C -0.789 174.660 175.510 -0.101 0.000 1.215 161 N CA 0.520 53.414 53.050 -0.259 0.000 0.901 161 N CB 1.850 39.991 38.487 -0.577 0.000 1.060 161 N HN 0.046 8.215 8.380 -0.089 0.158 0.508 162 M N -0.417 119.185 119.600 0.002 0.000 2.475 162 M HA 0.169 4.788 4.480 0.232 0.000 0.261 162 M C -0.835 175.471 176.300 0.009 0.000 1.177 162 M CA 0.330 55.624 55.300 -0.010 0.000 0.979 162 M CB 0.195 32.611 32.600 -0.307 0.000 1.482 162 M HN -0.832 7.433 8.290 -0.042 0.000 0.484 163 S N -2.379 113.354 115.700 0.055 0.000 2.593 163 S HA 0.172 4.687 4.470 0.075 0.000 0.217 163 S C 0.081 174.759 174.600 0.131 0.000 0.966 163 S CA 0.393 58.638 58.200 0.075 0.000 0.914 163 S CB 0.378 63.600 63.200 0.037 0.000 0.776 163 S HN -0.056 8.181 8.310 0.029 0.091 0.523 164 G N 0.284 109.198 108.800 0.191 0.000 2.825 164 G HA2 -0.059 4.205 3.960 0.206 0.000 0.100 164 G HA3 -0.059 3.979 3.960 0.131 0.000 0.100 164 G C -3.079 171.960 174.900 0.232 0.000 1.195 164 G CA 0.373 45.589 45.100 0.192 0.000 1.317 164 G HN -0.671 7.678 8.290 0.225 0.076 0.632 165 N N 2.172 120.960 118.700 0.147 0.000 2.399 165 N HA 0.247 5.311 4.740 0.130 -0.246 0.259 165 N C -1.042 174.576 175.510 0.180 0.000 1.160 165 N CA -0.707 52.426 53.050 0.138 0.000 0.946 165 N CB -0.593 37.945 38.487 0.086 0.000 1.156 165 N HN -0.062 8.382 8.380 0.108 0.000 0.489 166 F N 7.580 127.601 119.950 0.120 0.000 2.468 166 F HA 0.112 4.723 4.527 0.140 0.000 0.356 166 F C -0.524 175.342 175.800 0.110 0.000 1.167 166 F CA -0.381 57.705 58.000 0.144 0.000 1.135 166 F CB 0.606 39.747 39.000 0.236 0.000 1.197 166 F HN 0.757 9.162 8.300 0.346 0.103 0.569 167 T N 11.502 126.147 114.554 0.150 0.000 2.728 167 T HA 0.525 5.280 4.350 0.240 -0.262 0.296 167 T C -1.225 173.645 174.700 0.283 0.000 0.940 167 T CA -0.200 62.015 62.100 0.192 0.000 1.013 167 T CB 0.358 69.277 68.868 0.085 0.000 0.912 167 T HN -0.013 8.195 8.240 -0.053 0.000 0.484 168 Y N 8.594 129.004 120.300 0.184 0.000 2.406 168 Y HA 0.227 4.838 4.550 0.102 0.000 0.340 168 Y C -2.717 173.222 175.900 0.065 0.000 0.975 168 Y CA -1.509 56.679 58.100 0.146 0.000 1.056 168 Y CB 3.808 42.410 38.460 0.237 0.000 1.210 168 Y HN 0.902 9.290 8.280 0.367 0.112 0.448 169 I N 6.618 126.928 120.570 -0.434 0.000 2.339 169 I HA 0.684 4.986 4.170 -0.161 -0.230 0.290 169 I C -0.662 175.102 176.117 -0.588 0.000 0.994 169 I CA -2.613 58.477 61.300 -0.350 0.000 1.191 169 I CB 0.483 38.358 38.000 -0.208 0.000 1.343 169 I HN 0.226 8.120 8.210 -0.527 0.000 0.458 170 I N 8.738 129.073 120.570 -0.392 0.000 2.339 170 I HA 0.121 3.988 4.170 -0.505 0.000 0.290 170 I C -1.660 174.343 176.117 -0.190 0.000 0.994 170 I CA -0.675 60.397 61.300 -0.381 0.000 1.191 170 I CB 0.870 38.657 38.000 -0.354 0.000 1.343 170 I HN 0.815 8.772 8.210 -0.243 0.107 0.458 171 D N 7.119 127.429 120.400 -0.149 0.000 2.846 171 D HA 0.324 4.950 4.640 -0.023 0.000 0.273 171 D C -0.319 175.961 176.300 -0.033 0.000 1.145 171 D CA -2.286 51.679 54.000 -0.058 0.000 1.091 171 D CB 2.783 43.552 40.800 -0.051 0.000 1.364 171 D HN 0.199 8.454 8.370 -0.190 0.000 0.613 172 K N -3.511 116.883 120.400 -0.009 0.000 3.339 172 K HA -0.317 4.007 4.320 0.007 0.000 0.299 172 K C -0.577 176.034 176.600 0.017 0.000 1.270 172 K CA 1.031 57.322 56.287 0.007 0.000 0.875 172 K CB -1.160 31.348 32.500 0.012 0.000 1.298 172 K HN 0.203 8.450 8.250 -0.005 0.000 0.485 173 L N -3.567 117.666 121.223 0.017 0.000 2.299 173 L HA 0.265 4.623 4.340 0.030 0.000 0.268 173 L C -0.704 176.184 176.870 0.030 0.000 1.012 173 L CA -1.343 53.512 54.840 0.025 0.000 0.816 173 L CB 2.670 44.740 42.059 0.018 0.000 1.355 173 L HN -0.428 7.777 8.230 0.014 0.033 0.457 174 I N -5.203 115.388 120.570 0.035 0.000 2.846 174 I HA 0.600 4.790 4.170 0.033 0.000 0.307 174 I C -2.514 173.627 176.117 0.040 0.000 1.053 174 I CA -3.707 57.614 61.300 0.034 0.000 1.050 174 I CB 1.128 39.146 38.000 0.030 0.000 1.239 174 I HN -0.010 8.223 8.210 0.039 0.000 0.439 175 P HA -0.120 4.388 4.420 0.043 -0.063 0.267 175 P C -0.578 176.745 177.300 0.038 0.000 1.201 175 P CA 1.109 64.232 63.100 0.038 0.000 0.775 175 P CB 0.222 31.941 31.700 0.031 0.000 0.854 176 N N -1.128 117.596 118.700 0.040 0.000 2.816 176 N HA -0.347 4.411 4.740 0.030 0.000 0.247 176 N C -1.873 173.666 175.510 0.049 0.000 1.100 176 N CA 1.170 54.241 53.050 0.035 0.000 0.687 176 N CB -0.767 37.735 38.487 0.025 0.000 1.003 176 N HN 0.168 8.486 8.380 0.041 0.087 0.554 177 T N -2.828 111.773 114.554 0.078 0.000 2.821 177 T HA 0.168 4.568 4.350 0.084 0.000 0.307 177 T C -0.794 174.001 174.700 0.159 0.000 1.034 177 T CA -1.918 60.249 62.100 0.112 0.000 0.953 177 T CB 0.409 69.352 68.868 0.124 0.000 0.968 177 T HN -0.193 8.097 8.240 0.085 0.000 0.462 178 N N 5.925 124.677 118.700 0.086 0.000 2.408 178 N HA 0.235 5.100 4.740 -0.068 -0.165 0.257 178 N C -1.049 174.501 175.510 0.067 0.000 1.064 178 N CA -0.538 52.516 53.050 0.008 0.000 0.952 178 N CB 0.485 38.955 38.487 -0.029 0.000 1.093 178 N HN 0.481 8.900 8.380 0.065 0.000 0.490 179 Y N -1.167 119.143 120.300 0.017 0.000 2.393 179 Y HA 0.882 5.687 4.550 0.034 -0.235 0.341 179 Y C -1.501 174.420 175.900 0.034 0.000 0.988 179 Y CA -3.835 54.284 58.100 0.030 0.000 1.078 179 Y CB 1.879 40.361 38.460 0.038 0.000 1.203 179 Y HN 0.691 8.665 8.280 -0.510 0.000 0.453 180 c N 4.435 123.118 118.600 0.138 0.000 2.271 180 c HA 0.534 5.261 4.570 0.026 -0.142 0.323 180 c C -0.488 173.695 174.090 0.154 0.000 1.245 180 c CA -0.874 55.507 56.329 0.087 0.000 1.548 180 c CB -0.335 42.203 42.510 0.047 0.000 2.214 180 c HN 0.185 8.407 8.230 0.173 0.112 0.477 181 V N 9.584 129.603 119.914 0.175 0.000 2.439 181 V HA 0.517 5.017 4.120 0.141 -0.295 0.282 181 V C -1.209 174.883 176.094 -0.003 0.000 1.039 181 V CA -1.009 61.372 62.300 0.134 0.000 0.913 181 V CB 2.867 34.801 31.823 0.185 0.000 0.983 181 V HN 0.725 8.922 8.190 0.168 0.094 0.460 182 S N 4.976 120.640 115.700 -0.060 0.000 2.568 182 S HA 0.341 4.609 4.470 -0.336 0.000 0.293 182 S C -1.660 172.811 174.600 -0.214 0.000 1.089 182 S CA -1.567 56.530 58.200 -0.172 0.000 0.945 182 S CB 2.357 65.537 63.200 -0.033 0.000 1.077 182 S HN -0.084 8.236 8.310 0.017 0.000 0.485 183 V N 6.368 126.056 119.914 -0.376 0.000 2.326 183 V HA 0.454 4.435 4.120 -0.232 0.000 0.281 183 V C -1.103 174.989 176.094 -0.003 0.000 1.015 183 V CA -0.601 61.532 62.300 -0.278 0.000 0.823 183 V CB 0.474 31.998 31.823 -0.498 0.000 1.009 183 V HN 0.536 8.434 8.190 -0.487 0.000 0.436 184 Y N 5.114 125.348 120.300 -0.110 0.000 2.665 184 Y HA 0.623 5.244 4.550 0.017 -0.061 0.336 184 Y C -3.048 172.841 175.900 -0.019 0.000 1.085 184 Y CA -3.113 54.971 58.100 -0.027 0.000 1.096 184 Y CB 3.293 41.744 38.460 -0.014 0.000 1.301 184 Y HN 0.403 8.635 8.280 -0.080 0.000 0.493 185 L N -6.233 114.998 121.223 0.013 0.000 2.424 185 L HA 0.885 5.185 4.340 -0.298 -0.139 0.258 185 L C -1.439 175.464 176.870 0.054 0.000 0.995 185 L CA -0.947 53.839 54.840 -0.089 0.000 0.821 185 L CB 4.059 46.120 42.059 0.004 0.000 1.383 185 L HN -0.163 8.224 8.230 0.262 0.000 0.410 186 E N -3.478 116.728 120.200 0.010 0.000 2.312 186 E HA 0.469 4.914 4.350 0.158 0.000 0.267 186 E C -1.829 174.853 176.600 0.137 0.000 0.894 186 E CA -1.698 54.760 56.400 0.097 0.000 0.773 186 E CB 3.399 33.138 29.700 0.065 0.000 1.241 186 E HN 0.323 8.532 8.360 -0.075 0.106 0.432 187 H N 4.328 123.425 119.070 0.045 0.000 3.022 187 H HA 0.381 4.959 4.556 0.036 0.000 0.180 187 H C 0.351 175.692 175.328 0.021 0.000 1.111 187 H CA 1.133 57.206 56.048 0.041 0.000 1.304 187 H CB 2.346 32.148 29.762 0.067 0.000 1.290 187 H HN -0.170 8.231 8.280 0.202 0.000 0.441 188 S N -0.423 115.291 115.700 0.024 0.000 2.406 188 S HA -0.088 4.288 4.470 -0.157 0.000 0.224 188 S C -0.209 174.382 174.600 -0.014 0.000 1.030 188 S CA 1.074 59.242 58.200 -0.053 0.000 0.958 188 S CB 1.004 64.205 63.200 0.002 0.000 0.811 188 S HN 0.199 8.646 8.310 0.229 0.000 0.489 189 D N -1.338 119.082 120.400 0.034 0.000 2.768 189 D HA 0.119 4.772 4.640 0.022 0.000 0.327 189 D C -1.642 174.701 176.300 0.072 0.000 1.302 189 D CA -0.317 53.705 54.000 0.036 0.000 0.897 189 D CB 1.823 42.638 40.800 0.025 0.000 1.420 189 D HN -0.591 7.822 8.370 0.072 0.000 0.494 190 E N 0.393 120.636 120.200 0.072 0.000 2.346 190 E HA -0.091 4.349 4.350 0.151 0.000 0.317 190 E C -0.737 175.914 176.600 0.085 0.000 1.404 190 E CA 0.510 56.973 56.400 0.104 0.000 1.534 190 E CB -0.877 28.879 29.700 0.092 0.000 1.309 190 E HN 0.274 8.665 8.360 0.052 0.000 0.499 191 Q N -0.523 119.335 119.800 0.097 0.000 2.462 191 Q HA 0.119 4.498 4.340 0.065 0.000 0.224 191 Q C 0.821 176.885 176.000 0.107 0.000 0.911 191 Q CA 0.703 56.556 55.803 0.085 0.000 0.925 191 Q CB 1.439 30.222 28.738 0.076 0.000 1.063 191 Q HN -0.128 8.142 8.270 0.112 0.067 0.572 192 A N 2.404 125.309 122.820 0.142 0.000 3.033 192 A HA 0.130 4.538 4.320 0.148 0.000 0.250 192 A C -0.868 176.833 177.584 0.195 0.000 1.633 192 A CA -0.953 51.183 52.037 0.165 0.000 1.290 192 A CB -1.412 17.697 19.000 0.182 0.000 1.048 192 A HN -0.007 8.233 8.150 0.149 0.000 0.648 193 V N -1.699 118.290 119.914 0.125 0.000 2.054 193 V HA 0.034 4.225 4.120 0.118 0.000 0.243 193 V C -1.071 175.042 176.094 0.033 0.000 1.480 193 V CA -0.913 61.406 62.300 0.033 0.000 1.440 193 V CB -1.475 30.280 31.823 -0.112 0.000 1.489 193 V HN -0.133 8.022 8.190 0.093 0.090 0.502 194 I N 6.124 126.785 120.570 0.152 0.000 2.382 194 I HA -0.078 4.152 4.170 0.101 0.000 0.297 194 I C -1.188 174.998 176.117 0.115 0.000 1.172 194 I CA -1.944 59.441 61.300 0.141 0.000 1.825 194 I CB -3.405 34.713 38.000 0.196 0.000 1.509 194 I HN 0.327 8.631 8.210 0.251 0.056 0.842 195 K N 6.890 127.295 120.400 0.008 0.000 2.245 195 K HA -0.181 4.118 4.320 -0.036 0.000 0.281 195 K C -0.274 176.342 176.600 0.025 0.000 1.079 195 K CA 0.188 56.455 56.287 -0.034 0.000 1.000 195 K CB -0.767 31.670 32.500 -0.105 0.000 1.038 195 K HN -0.206 7.983 8.250 -0.020 0.049 0.430 196 S N 6.935 122.661 115.700 0.043 0.000 2.593 196 S HA 0.152 4.695 4.470 0.123 0.000 0.269 196 S C -1.397 173.277 174.600 0.125 0.000 1.334 196 S CA -1.388 56.871 58.200 0.098 0.000 1.015 196 S CB -0.984 62.277 63.200 0.101 0.000 0.912 196 S HN -0.412 7.916 8.310 0.030 0.000 0.541 197 P HA -0.185 4.302 4.420 0.111 0.000 0.251 197 P C -1.420 176.024 177.300 0.241 0.000 1.154 197 P CA 0.823 64.036 63.100 0.189 0.000 0.805 197 P CB -0.512 31.291 31.700 0.172 0.000 0.759 198 L N 3.245 124.544 121.223 0.126 0.000 2.584 198 L HA -0.210 4.382 4.340 0.096 -0.195 0.272 198 L C 0.776 177.727 176.870 0.135 0.000 1.195 198 L CA 0.739 55.643 54.840 0.108 0.000 0.920 198 L CB -0.188 41.903 42.059 0.052 0.000 1.173 198 L HN -0.186 8.094 8.230 0.083 0.000 0.489 199 K N 5.985 126.504 120.400 0.198 0.000 2.267 199 K HA 0.148 4.520 4.320 0.087 0.000 0.282 199 K C -1.540 175.074 176.600 0.024 0.000 1.078 199 K CA -0.691 55.679 56.287 0.139 0.000 0.903 199 K CB 0.392 33.037 32.500 0.241 0.000 1.111 199 K HN 0.463 8.854 8.250 0.235 0.000 0.475 200 c N 7.549 126.120 118.600 -0.048 0.000 2.325 200 c HA 0.705 5.419 4.570 -0.175 -0.249 0.347 200 c C 0.114 174.048 174.090 -0.261 0.000 1.263 200 c CA -0.566 55.674 56.329 -0.148 0.000 1.806 200 c CB -0.594 41.859 42.510 -0.094 0.000 2.405 200 c HN 0.793 9.007 8.230 -0.028 0.000 0.537 201 T N 8.058 122.284 114.554 -0.547 0.000 2.886 201 T HA 0.269 4.421 4.350 -0.330 0.000 0.292 201 T C -2.195 172.110 174.700 -0.659 0.000 1.012 201 T CA -0.757 60.992 62.100 -0.584 0.000 0.982 201 T CB 2.817 71.331 68.868 -0.589 0.000 1.018 201 T HN 0.970 8.643 8.240 -0.770 0.105 0.451 202 L N 6.388 127.432 121.223 -0.299 0.000 2.313 202 L HA 0.367 4.784 4.340 -0.125 -0.152 0.283 202 L C -1.058 175.785 176.870 -0.046 0.000 1.013 202 L CA -1.133 53.623 54.840 -0.140 0.000 0.816 202 L CB 1.838 43.846 42.059 -0.085 0.000 1.236 202 L HN 0.196 8.290 8.230 -0.227 0.000 0.419 203 L N 2.632 123.892 121.223 0.062 0.000 2.416 203 L HA 0.607 4.954 4.340 0.011 0.000 0.262 203 L C -2.003 174.883 176.870 0.026 0.000 1.093 203 L CA -3.310 51.565 54.840 0.058 0.000 0.801 203 L CB -1.089 41.040 42.059 0.117 0.000 1.191 203 L HN -0.154 8.148 8.230 0.120 0.000 0.459 204 P HA 0.005 4.427 4.420 0.004 0.000 0.257 204 P C -2.055 175.257 177.300 0.020 0.000 1.153 204 P CA -0.070 63.037 63.100 0.012 0.000 0.762 204 P CB -0.913 30.799 31.700 0.019 0.000 0.743 205 P HA 0.057 4.607 4.420 0.021 -0.117 0.279 205 P C -1.125 176.185 177.300 0.017 0.000 1.282 205 P CA -0.868 62.242 63.100 0.016 0.000 0.788 205 P CB 1.118 32.824 31.700 0.009 0.000 1.139 206 G N 0.000 108.810 108.800 0.017 0.000 5.446 206 G HA2 0.000 nan 3.960 nan 0.000 0.244 206 G HA3 0.000 3.971 3.960 0.018 0.000 0.244 206 G CA 0.000 45.109 45.100 0.016 0.000 0.502 206 G HN 0.000 8.300 8.290 0.016 0.000 0.925