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 2jtc_5_A DATA FIRST_RESID 1 DATA SEQUENCE QPVVKSLLDS KGIHYNQGNP YNLLTPVIEK VKPGEQSFVG QHAATGSVAT DATA SEQUENCE ATAQIMKYHN YPNKGLKDYT YTLSSNNPYF NHPKNLFAAI STRQYNWNNI DATA SEQUENCE LPTYSGRESN VQKMAISELM ADVGISVDMD YGPSSGSAGS SRVQRALKEN DATA SEQUENCE FGYNQSVHQI NRGDFSKQDW EAQIDKELSQ NQPVYYQGVG KVGGHAFVID DATA SEQUENCE GADGRNFYHV NWGWGGVSDG FFRLDALNPS ALGTGGGAGG FNGYQSAVVG DATA SEQUENCE IKP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 4.320 4.340 -0.034 0.000 0.214 1 Q C 0.000 175.949 176.000 -0.084 0.000 1.003 1 Q CA 0.000 55.765 55.803 -0.063 0.000 1.022 1 Q CB 0.000 28.682 28.738 -0.093 0.000 1.108 2 P HA 0.211 4.594 4.420 -0.061 0.000 0.297 2 P C -2.004 175.237 177.300 -0.099 0.000 1.303 2 P CA -0.824 62.235 63.100 -0.068 0.000 0.753 2 P CB 1.034 32.708 31.700 -0.043 0.000 1.281 3 V N -2.482 117.386 119.914 -0.077 0.000 2.628 3 V HA 0.072 4.203 4.120 -0.123 -0.085 0.306 3 V C -0.822 175.242 176.094 -0.051 0.000 1.045 3 V CA -1.164 61.086 62.300 -0.082 0.000 0.905 3 V CB 2.332 34.116 31.823 -0.064 0.000 0.997 3 V HN -0.089 8.067 8.190 -0.057 0.000 0.436 4 V N 6.034 125.924 119.914 -0.040 0.000 2.686 4 V HA 0.200 4.316 4.120 -0.006 0.000 0.306 4 V C -0.872 175.243 176.094 0.035 0.000 1.065 4 V CA -1.760 60.537 62.300 -0.005 0.000 0.894 4 V CB 3.151 34.972 31.823 -0.004 0.000 1.004 4 V HN 1.263 9.294 8.190 -0.057 0.125 0.424 5 K N 4.423 124.838 120.400 0.025 0.000 2.140 5 K HA 0.136 4.511 4.320 0.091 0.000 0.237 5 K C -0.023 176.557 176.600 -0.034 0.000 1.045 5 K CA -1.079 55.226 56.287 0.031 0.000 0.896 5 K CB 0.754 33.258 32.500 0.006 0.000 1.122 5 K HN 0.238 8.495 8.250 0.011 0.000 0.503 6 S N -0.364 115.229 115.700 -0.178 0.000 2.423 6 S HA 0.076 4.573 4.470 -0.362 -0.244 0.302 6 S C 1.780 176.239 174.600 -0.235 0.000 1.143 6 S CA -0.436 57.488 58.200 -0.461 0.000 1.080 6 S CB -0.827 61.623 63.200 -1.251 0.000 1.081 6 S HN 0.246 8.467 8.310 -0.147 0.000 0.522 7 L N 7.891 129.027 121.223 -0.145 0.000 2.012 7 L HA -0.331 4.080 4.340 0.119 0.000 0.210 7 L C 1.684 178.618 176.870 0.106 0.000 1.073 7 L CA 3.142 57.977 54.840 -0.009 0.000 0.748 7 L CB -0.552 41.285 42.059 -0.370 0.000 0.891 7 L HN 1.102 9.124 8.230 -0.149 0.118 0.431 8 L N -3.111 118.058 121.223 -0.090 0.000 2.042 8 L HA -0.437 3.934 4.340 0.051 0.000 0.210 8 L C 2.261 179.018 176.870 -0.190 0.000 1.076 8 L CA 2.944 57.724 54.840 -0.100 0.000 0.749 8 L CB -0.903 41.040 42.059 -0.193 0.000 0.893 8 L HN -0.587 7.793 8.230 -0.179 -0.258 0.432 9 D N -0.797 119.469 120.400 -0.223 0.000 2.144 9 D HA -0.216 4.334 4.640 -0.151 0.000 0.200 9 D C 3.156 179.404 176.300 -0.087 0.000 0.978 9 D CA 3.044 56.947 54.000 -0.161 0.000 0.833 9 D CB -0.378 40.302 40.800 -0.200 0.000 0.961 9 D HN 0.362 8.479 8.370 -0.285 0.082 0.470 10 S N 0.141 115.799 115.700 -0.069 0.000 2.465 10 S HA -0.188 4.260 4.470 -0.037 0.000 0.241 10 S C 0.912 175.469 174.600 -0.071 0.000 1.000 10 S CA 2.938 61.115 58.200 -0.039 0.000 0.964 10 S CB 0.000 63.205 63.200 0.008 0.000 0.763 10 S HN 0.221 8.275 8.310 -0.077 0.210 0.512 11 K N -1.182 119.159 120.400 -0.097 0.000 2.506 11 K HA 0.166 4.406 4.320 -0.133 0.000 0.204 11 K C -1.223 175.307 176.600 -0.116 0.000 1.045 11 K CA -1.093 55.107 56.287 -0.145 0.000 1.074 11 K CB 0.620 32.968 32.500 -0.254 0.000 0.842 11 K HN -0.750 7.252 8.250 -0.084 0.197 0.514 12 G N -0.035 108.717 108.800 -0.081 0.000 2.422 12 G HA2 -0.380 3.673 3.960 0.155 0.000 0.301 12 G HA3 -0.380 3.634 3.960 0.090 0.000 0.301 12 G C -0.047 174.749 174.900 -0.174 0.000 0.981 12 G CA 1.128 46.234 45.100 0.009 0.000 0.994 12 G HN 0.226 8.257 8.290 -0.067 0.219 0.514 13 I N 0.484 120.781 120.570 -0.455 0.000 2.308 13 I HA -0.273 3.802 4.170 -0.313 -0.093 0.293 13 I C -0.658 175.010 176.117 -0.748 0.000 1.078 13 I CA 0.014 61.018 61.300 -0.493 0.000 1.292 13 I CB 0.078 37.821 38.000 -0.427 0.000 1.423 13 I HN 0.265 8.100 8.210 -0.413 0.128 0.493 14 H N 7.754 126.820 119.070 -0.008 0.000 2.761 14 H HA 0.358 4.935 4.556 0.035 0.000 0.263 14 H C -1.058 174.463 175.328 0.322 0.000 1.292 14 H CA -1.211 54.900 56.048 0.104 0.000 1.540 14 H CB 0.312 30.154 29.762 0.135 0.000 1.569 14 H HN 1.086 9.245 8.280 0.038 0.144 0.510 15 Y N 2.199 122.537 120.300 0.063 0.000 2.436 15 Y HA 0.109 4.564 4.550 -0.158 0.000 0.336 15 Y C -1.070 174.469 175.900 -0.601 0.000 1.318 15 Y CA -2.012 55.907 58.100 -0.302 0.000 1.493 15 Y CB 2.053 40.353 38.460 -0.266 0.000 1.547 15 Y HN -0.425 8.113 8.280 0.055 -0.224 0.549 16 N N -4.218 113.750 118.700 -1.221 0.000 3.506 16 N HA 0.240 4.829 4.740 -0.252 0.000 0.331 16 N C -1.449 173.765 175.510 -0.493 0.000 1.631 16 N CA -0.901 51.804 53.050 -0.574 0.000 0.786 16 N CB 3.385 41.751 38.487 -0.203 0.000 2.023 16 N HN 0.017 6.845 8.380 -2.586 0.000 0.621 17 Q N -4.726 114.947 119.800 -0.211 0.000 2.288 17 Q HA 0.316 4.578 4.340 -0.130 0.000 0.256 17 Q C 0.629 176.650 176.000 0.035 0.000 0.835 17 Q CA 0.767 56.489 55.803 -0.135 0.000 0.958 17 Q CB 1.808 30.378 28.738 -0.280 0.000 1.125 17 Q HN 0.181 8.398 8.270 -0.088 0.000 0.513 18 G N -0.795 108.079 108.800 0.124 0.000 2.780 18 G HA2 0.001 4.037 3.960 0.127 0.000 0.198 18 G HA3 0.001 4.065 3.960 0.173 0.000 0.198 18 G C -0.172 174.841 174.900 0.188 0.000 1.067 18 G CA -0.437 44.759 45.100 0.159 0.000 0.765 18 G HN 0.134 8.507 8.290 0.138 0.000 0.581 19 N N 1.344 120.215 118.700 0.286 0.000 2.286 19 N HA -0.168 4.674 4.740 0.170 0.000 0.231 19 N C -0.818 174.722 175.510 0.049 0.000 1.217 19 N CA 1.167 54.367 53.050 0.250 0.000 0.833 19 N CB -0.140 38.620 38.487 0.455 0.000 0.873 19 N HN -0.211 8.356 8.380 0.313 0.000 0.370 20 P HA 0.067 4.338 4.420 -0.249 0.000 0.242 20 P C 0.346 177.305 177.300 -0.568 0.000 1.197 20 P CA 1.730 64.579 63.100 -0.417 0.000 0.765 20 P CB -0.101 31.285 31.700 -0.522 0.000 0.936 21 Y N -1.786 118.349 120.300 -0.276 0.000 2.337 21 Y HA -0.190 4.115 4.550 -0.408 0.000 0.293 21 Y C 1.305 177.089 175.900 -0.193 0.000 1.123 21 Y CA 2.349 60.270 58.100 -0.298 0.000 1.201 21 Y CB -0.337 37.971 38.460 -0.253 0.000 1.011 21 Y HN -0.257 7.849 8.280 -0.121 0.101 0.545 22 N N -1.732 116.979 118.700 0.018 0.000 2.313 22 N HA -0.030 4.708 4.740 -0.003 0.000 0.207 22 N C -0.002 175.375 175.510 -0.222 0.000 1.141 22 N CA -0.543 52.490 53.050 -0.028 0.000 0.830 22 N CB -0.963 37.559 38.487 0.059 0.000 1.008 22 N HN -0.490 7.929 8.380 0.064 0.000 0.481 23 L N -2.069 118.989 121.223 -0.275 0.000 2.622 23 L HA -0.099 3.921 4.340 -0.534 0.000 0.233 23 L C 0.197 176.776 176.870 -0.485 0.000 1.156 23 L CA 1.600 56.190 54.840 -0.417 0.000 0.866 23 L CB -0.131 41.758 42.059 -0.283 0.000 0.980 23 L HN -0.823 7.073 8.230 -0.227 0.198 0.448 24 L N -5.180 115.838 121.223 -0.340 0.000 3.039 24 L HA 0.097 4.320 4.340 -0.195 0.000 0.269 24 L C -0.315 176.478 176.870 -0.129 0.000 1.169 24 L CA -0.830 53.886 54.840 -0.206 0.000 0.986 24 L CB 1.438 43.419 42.059 -0.129 0.000 1.377 24 L HN -0.672 7.315 8.230 -0.265 0.085 0.575 25 T N -3.419 111.056 114.554 -0.130 0.000 2.795 25 T HA 0.068 4.236 4.350 -0.304 0.000 0.314 25 T C -1.465 173.244 174.700 0.015 0.000 1.069 25 T CA -2.040 59.974 62.100 -0.144 0.000 1.071 25 T CB -0.028 68.824 68.868 -0.026 0.000 0.988 25 T HN -0.644 7.364 8.240 -0.183 0.122 0.543 26 P HA 0.055 4.491 4.420 0.027 0.000 0.276 26 P C -1.072 176.316 177.300 0.146 0.000 1.230 26 P CA -0.381 62.698 63.100 -0.036 0.000 0.776 26 P CB 0.552 32.141 31.700 -0.185 0.000 0.888 27 V N 2.095 122.033 119.914 0.040 0.000 2.732 27 V HA 0.086 4.265 4.120 -0.194 -0.176 0.297 27 V C 0.209 176.280 176.094 -0.039 0.000 1.060 27 V CA -0.252 61.969 62.300 -0.132 0.000 1.038 27 V CB 1.102 32.728 31.823 -0.328 0.000 1.003 27 V HN -0.075 8.132 8.190 0.028 0.000 0.481 28 I N 3.803 124.279 120.570 -0.157 0.000 2.638 28 I HA -0.241 3.257 4.170 -1.120 0.000 0.286 28 I C -0.342 175.508 176.117 -0.444 0.000 1.088 28 I CA 1.169 62.193 61.300 -0.461 0.000 1.397 28 I CB 1.025 38.947 38.000 -0.131 0.000 1.414 28 I HN 0.323 8.361 8.210 -0.099 0.113 0.566 29 E N 5.356 125.178 120.200 -0.630 0.000 2.500 29 E HA 0.175 4.399 4.350 -0.211 0.000 0.217 29 E C -0.526 175.955 176.600 -0.198 0.000 0.848 29 E CA 0.379 56.588 56.400 -0.319 0.000 1.217 29 E CB 2.733 32.264 29.700 -0.282 0.000 1.217 29 E HN -0.035 7.697 8.360 -1.046 0.000 0.573 30 K N -0.679 119.602 120.400 -0.200 0.000 2.346 30 K HA 0.300 4.573 4.320 -0.079 0.000 0.238 30 K C -1.445 175.151 176.600 -0.006 0.000 1.039 30 K CA -1.549 54.682 56.287 -0.092 0.000 0.861 30 K CB 3.693 36.129 32.500 -0.107 0.000 1.278 30 K HN 0.106 8.070 8.250 -0.321 0.093 0.460 31 V N 0.172 120.070 119.914 -0.026 0.000 2.513 31 V HA 0.030 4.249 4.120 0.165 0.000 0.299 31 V C -1.034 175.011 176.094 -0.081 0.000 1.035 31 V CA -1.917 60.394 62.300 0.018 0.000 0.889 31 V CB 1.845 33.655 31.823 -0.022 0.000 0.988 31 V HN 0.108 8.266 8.190 -0.054 0.000 0.440 32 K N 7.331 127.672 120.400 -0.098 0.000 2.322 32 K HA 0.204 4.346 4.320 -0.296 0.000 0.283 32 K C -1.818 174.758 176.600 -0.040 0.000 1.042 32 K CA -2.564 53.598 56.287 -0.208 0.000 0.958 32 K CB 0.957 33.286 32.500 -0.286 0.000 0.984 32 K HN 0.388 8.718 8.250 0.133 0.000 0.473 33 P HA -0.019 4.393 4.420 -0.013 0.000 0.271 33 P C 0.177 177.483 177.300 0.009 0.000 1.233 33 P CA 0.466 63.557 63.100 -0.015 0.000 0.764 33 P CB -0.314 31.375 31.700 -0.018 0.000 0.825 34 G N 3.674 112.486 108.800 0.020 0.000 2.148 34 G HA2 -0.338 3.635 3.960 0.023 0.000 0.203 34 G HA3 -0.338 3.641 3.960 0.033 0.000 0.203 34 G C -1.300 173.639 174.900 0.064 0.000 0.993 34 G CA -0.286 44.834 45.100 0.033 0.000 0.661 34 G HN 0.484 8.781 8.290 0.011 0.000 0.518 35 E N -1.871 118.377 120.200 0.081 0.000 2.442 35 E HA 0.275 4.700 4.350 0.126 0.000 0.271 35 E C -1.645 174.974 176.600 0.033 0.000 1.002 35 E CA -1.511 54.974 56.400 0.143 0.000 0.864 35 E CB 1.834 31.742 29.700 0.347 0.000 1.573 35 E HN -0.590 7.759 8.360 0.055 0.043 0.456 36 Q N -0.641 119.116 119.800 -0.070 0.000 2.370 36 Q HA 0.044 4.266 4.340 -0.197 0.000 0.186 36 Q C -1.041 174.583 176.000 -0.627 0.000 1.093 36 Q CA -0.239 55.363 55.803 -0.335 0.000 1.142 36 Q CB 0.887 29.395 28.738 -0.384 0.000 1.175 36 Q HN 0.055 8.364 8.270 0.065 0.000 0.625 37 S N -1.965 113.388 115.700 -0.578 0.000 2.537 37 S HA -0.007 4.292 4.470 -0.284 0.000 0.275 37 S C -0.645 173.541 174.600 -0.691 0.000 1.272 37 S CA 0.057 57.987 58.200 -0.450 0.000 1.050 37 S CB 0.282 63.349 63.200 -0.222 0.000 0.961 37 S HN -0.018 8.031 8.310 -0.435 0.000 0.496 38 F N 4.584 124.580 119.950 0.078 0.000 2.735 38 F HA 0.188 4.738 4.527 0.038 0.000 0.308 38 F C -0.756 175.044 175.800 -0.001 0.000 1.112 38 F CA -1.118 56.918 58.000 0.059 0.000 1.235 38 F CB 0.679 39.742 39.000 0.106 0.000 1.027 38 F HN 0.467 8.811 8.300 0.074 0.000 0.528 39 V N 1.196 121.153 119.914 0.072 0.000 2.763 39 V HA -0.511 3.626 4.120 -0.047 -0.046 0.306 39 V C 1.211 177.292 176.094 -0.022 0.000 1.059 39 V CA 3.107 65.399 62.300 -0.013 0.000 1.138 39 V CB -0.026 31.769 31.823 -0.046 0.000 0.940 39 V HN -0.687 7.457 8.190 0.018 0.057 0.489 40 G N 4.771 113.531 108.800 -0.066 0.000 2.179 40 G HA2 -0.454 3.440 3.960 -0.109 0.000 0.260 40 G HA3 -0.454 3.478 3.960 -0.047 0.000 0.260 40 G C -0.805 174.058 174.900 -0.062 0.000 0.977 40 G CA -0.122 44.934 45.100 -0.073 0.000 0.641 40 G HN 0.729 8.859 8.290 -0.104 0.097 0.533 41 Q N 0.593 120.388 119.800 -0.010 0.000 2.279 41 Q HA -0.004 4.377 4.340 0.067 0.000 0.256 41 Q C -0.286 175.718 176.000 0.007 0.000 0.937 41 Q CA -0.717 55.115 55.803 0.049 0.000 0.933 41 Q CB 1.012 29.839 28.738 0.147 0.000 1.189 41 Q HN -0.460 7.718 8.270 0.007 0.096 0.417 42 H N 5.519 124.621 119.070 0.053 0.000 3.017 42 H HA -0.151 4.433 4.556 0.047 0.000 0.276 42 H C -0.269 175.096 175.328 0.061 0.000 1.062 42 H CA 0.597 56.673 56.048 0.047 0.000 1.486 42 H CB 0.365 30.145 29.762 0.030 0.000 1.507 42 H HN 0.489 8.875 8.280 0.176 0.000 0.508 43 A N 5.430 128.379 122.820 0.215 0.000 2.536 43 A HA -0.029 4.472 4.320 0.101 -0.120 0.234 43 A C -1.152 176.571 177.584 0.232 0.000 1.076 43 A CA 0.560 52.726 52.037 0.215 0.000 0.769 43 A CB 0.955 20.190 19.000 0.392 0.000 1.020 43 A HN 0.407 8.579 8.150 0.204 0.100 0.508 44 A N -0.433 122.496 122.820 0.181 0.000 2.280 44 A HA 0.165 4.663 4.320 0.122 -0.105 0.268 44 A C 1.111 178.822 177.584 0.211 0.000 1.111 44 A CA -0.367 51.750 52.037 0.133 0.000 0.814 44 A CB 1.011 20.030 19.000 0.031 0.000 1.093 44 A HN -0.184 8.036 8.150 0.117 0.000 0.498 45 T N -3.345 111.279 114.554 0.117 0.000 2.978 45 T HA -0.165 4.388 4.350 0.338 0.000 0.262 45 T C 0.239 174.938 174.700 -0.002 0.000 1.063 45 T CA 0.709 62.893 62.100 0.141 0.000 1.140 45 T CB 0.826 69.730 68.868 0.060 0.000 0.886 45 T HN 0.319 8.465 8.240 0.051 0.124 0.470 46 G N -0.545 108.198 108.800 -0.095 0.000 2.911 46 G HA2 -0.256 3.809 3.960 -0.167 0.000 0.686 46 G HA3 -0.256 3.583 3.960 -0.164 0.023 0.686 46 G C 0.607 175.387 174.900 -0.200 0.000 1.136 46 G CA -0.378 44.626 45.100 -0.160 0.000 0.764 46 G HN -0.821 7.407 8.290 -0.103 0.000 0.626 47 S N 5.654 121.192 115.700 -0.270 0.000 2.353 47 S HA -0.355 3.883 4.470 -0.387 0.000 0.222 47 S C 1.901 176.385 174.600 -0.193 0.000 1.035 47 S CA 3.473 61.465 58.200 -0.346 0.000 1.025 47 S CB -0.186 62.666 63.200 -0.580 0.000 0.902 47 S HN 0.323 8.484 8.310 -0.249 0.000 0.440 48 V N 2.734 122.580 119.914 -0.114 0.000 2.250 48 V HA -0.527 3.692 4.120 0.165 0.000 0.250 48 V C 2.027 178.141 176.094 0.033 0.000 1.060 48 V CA 4.003 66.330 62.300 0.045 0.000 1.030 48 V CB -1.307 30.533 31.823 0.029 0.000 0.643 48 V HN 0.014 8.129 8.190 -0.125 0.000 0.445 49 A N -1.438 121.353 122.820 -0.049 0.000 1.858 49 A HA -0.383 3.911 4.320 -0.044 0.000 0.216 49 A C 1.968 179.541 177.584 -0.019 0.000 1.190 49 A CA 3.014 55.028 52.037 -0.039 0.000 0.617 49 A CB -0.780 18.200 19.000 -0.034 0.000 0.827 49 A HN 0.396 8.495 8.150 -0.085 0.000 0.443 50 T N 2.401 116.923 114.554 -0.053 0.000 2.833 50 T HA -0.367 3.999 4.350 0.026 0.000 0.269 50 T C 2.093 176.789 174.700 -0.007 0.000 1.054 50 T CA 5.369 67.446 62.100 -0.038 0.000 1.135 50 T CB -0.106 68.670 68.868 -0.154 0.000 0.869 50 T HN 0.408 8.425 8.240 -0.095 0.166 0.466 51 A N 1.253 124.053 122.820 -0.032 0.000 1.898 51 A HA -0.223 4.056 4.320 -0.068 0.000 0.216 51 A C 1.752 179.362 177.584 0.043 0.000 1.181 51 A CA 3.113 55.131 52.037 -0.032 0.000 0.620 51 A CB -0.708 18.215 19.000 -0.129 0.000 0.819 51 A HN 0.762 8.652 8.150 -0.049 0.231 0.442 52 T N 1.542 116.150 114.554 0.090 0.000 2.732 52 T HA -0.358 3.990 4.350 -0.003 0.000 0.261 52 T C 1.850 176.512 174.700 -0.063 0.000 1.040 52 T CA 4.934 67.023 62.100 -0.017 0.000 1.145 52 T CB -0.130 68.665 68.868 -0.123 0.000 0.866 52 T HN -0.235 7.986 8.240 0.096 0.076 0.427 53 A N 0.832 123.651 122.820 -0.001 0.000 1.948 53 A HA -0.392 3.923 4.320 -0.008 0.000 0.220 53 A C 2.062 179.785 177.584 0.231 0.000 1.177 53 A CA 3.272 55.376 52.037 0.113 0.000 0.636 53 A CB -1.052 18.063 19.000 0.191 0.000 0.815 53 A HN 0.791 8.826 8.150 0.004 0.117 0.449 54 Q N -1.824 118.034 119.800 0.097 0.000 2.050 54 Q HA -0.378 3.472 4.340 -0.816 0.000 0.202 54 Q C 2.530 178.408 176.000 -0.203 0.000 0.980 54 Q CA 3.519 59.148 55.803 -0.289 0.000 0.840 54 Q CB -0.154 28.414 28.738 -0.283 0.000 0.898 54 Q HN -0.436 7.885 8.270 0.104 0.011 0.424 55 I N -0.249 120.235 120.570 -0.144 0.000 2.546 55 I HA -0.423 3.617 4.170 -0.217 0.000 0.255 55 I C 1.944 177.991 176.117 -0.118 0.000 1.163 55 I CA 3.242 64.439 61.300 -0.173 0.000 1.457 55 I CB -0.441 37.458 38.000 -0.167 0.000 1.092 55 I HN -0.854 7.213 8.210 -0.109 0.078 0.434 56 M N 0.382 119.930 119.600 -0.087 0.000 2.132 56 M HA -0.304 4.246 4.480 0.116 0.000 0.263 56 M C 2.398 178.655 176.300 -0.071 0.000 1.065 56 M CA 3.932 59.230 55.300 -0.003 0.000 1.122 56 M CB 0.139 32.696 32.600 -0.071 0.000 1.365 56 M HN 0.644 8.637 8.290 -0.084 0.246 0.411 57 K N 0.380 120.786 120.400 0.011 0.000 2.062 57 K HA -0.166 4.348 4.320 -0.000 -0.194 0.205 57 K C 1.911 178.361 176.600 -0.250 0.000 1.051 57 K CA 1.909 58.185 56.287 -0.018 0.000 0.941 57 K CB -0.571 32.008 32.500 0.133 0.000 0.719 57 K HN 0.273 8.355 8.250 0.062 0.205 0.440 58 Y N -1.841 118.242 120.300 -0.362 0.000 2.241 58 Y HA -0.360 3.977 4.550 -0.356 0.000 0.286 58 Y C 1.352 176.951 175.900 -0.502 0.000 1.166 58 Y CA 3.013 60.838 58.100 -0.458 0.000 1.203 58 Y CB 0.213 38.323 38.460 -0.583 0.000 0.977 58 Y HN 0.140 8.157 8.280 -0.125 0.189 0.529 59 H N -5.372 113.636 119.070 -0.103 0.000 2.729 59 H HA 0.112 4.556 4.556 -0.187 0.000 0.263 59 H C -0.815 174.185 175.328 -0.547 0.000 0.961 59 H CA 1.081 57.026 56.048 -0.170 0.000 1.217 59 H CB 1.693 31.536 29.762 0.134 0.000 1.447 59 H HN -0.682 7.356 8.280 -0.186 0.131 0.496 60 N N -2.578 115.542 118.700 -0.967 0.000 2.699 60 N HA -0.401 1.134 4.740 -5.387 -0.027 0.256 60 N C -1.445 173.147 175.510 -1.530 0.000 0.993 60 N CA 1.344 52.814 53.050 -2.633 0.000 0.759 60 N CB -1.923 35.581 38.487 -1.637 0.000 0.906 60 N HN 0.385 8.094 8.380 -0.772 0.207 0.541 61 Y N 0.271 120.134 120.300 -0.727 0.000 2.144 61 Y HA -0.021 4.337 4.550 -0.321 0.000 0.279 61 Y C -1.694 174.316 175.900 0.184 0.000 1.099 61 Y CA 1.292 59.204 58.100 -0.313 0.000 1.087 61 Y CB -0.204 37.801 38.460 -0.758 0.000 1.007 61 Y HN -0.758 7.299 8.280 -0.372 0.000 0.482 62 P HA -0.025 4.061 4.420 -0.556 0.000 0.273 62 P C -1.330 176.278 177.300 0.514 0.000 1.319 62 P CA 0.246 63.316 63.100 -0.049 0.000 0.885 62 P CB -1.045 30.812 31.700 0.261 0.000 1.015 63 N N 0.841 119.762 118.700 0.367 0.000 2.381 63 N HA -0.306 4.645 4.740 0.132 -0.131 0.182 63 N C -0.756 174.802 175.510 0.081 0.000 1.025 63 N CA 2.205 55.405 53.050 0.251 0.000 0.888 63 N CB 1.140 39.760 38.487 0.221 0.000 0.965 63 N HN -0.024 8.461 8.380 0.176 0.000 0.438 64 K N -3.410 117.039 120.400 0.081 0.000 2.422 64 K HA 0.287 4.697 4.320 -0.134 -0.170 0.251 64 K C -0.878 175.726 176.600 0.006 0.000 0.933 64 K CA -1.816 54.452 56.287 -0.032 0.000 0.798 64 K CB 3.758 36.238 32.500 -0.034 0.000 1.238 64 K HN -0.888 7.375 8.250 0.096 0.045 0.428 65 G N 1.245 109.971 108.800 -0.124 0.000 2.559 65 G HA2 -0.035 4.062 3.960 0.230 0.000 0.235 65 G HA3 -0.035 3.987 3.960 -0.120 -0.135 0.235 65 G C -0.319 174.583 174.900 0.004 0.000 1.266 65 G CA -0.007 45.084 45.100 -0.014 0.000 0.847 65 G HN 0.075 8.059 8.290 -0.281 0.137 0.583 66 L N 2.971 124.205 121.223 0.019 0.000 2.116 66 L HA 0.074 4.421 4.340 0.012 0.000 0.200 66 L C 0.041 176.906 176.870 -0.008 0.000 1.084 66 L CA 1.515 56.360 54.840 0.008 0.000 0.766 66 L CB 0.759 42.840 42.059 0.036 0.000 0.930 66 L HN 0.060 8.312 8.230 0.036 0.000 0.453 67 K N -1.918 118.460 120.400 -0.037 0.000 2.482 67 K HA 0.156 4.484 4.320 0.013 0.000 0.251 67 K C -1.686 174.909 176.600 -0.008 0.000 0.936 67 K CA -1.586 54.699 56.287 -0.004 0.000 0.791 67 K CB 2.329 34.840 32.500 0.019 0.000 1.213 67 K HN -0.819 7.376 8.250 -0.091 0.000 0.428 68 D N 4.911 125.333 120.400 0.036 0.000 2.390 68 D HA -0.077 4.719 4.640 -0.100 -0.215 0.236 68 D C -0.941 175.423 176.300 0.107 0.000 1.189 68 D CA 1.561 55.581 54.000 0.033 0.000 0.887 68 D CB 0.473 41.431 40.800 0.264 0.000 1.198 68 D HN 0.133 8.540 8.370 0.061 0.000 0.444 69 Y N 0.292 120.535 120.300 -0.094 0.000 2.470 69 Y HA 0.232 4.829 4.550 0.078 0.000 0.341 69 Y C -2.440 173.533 175.900 0.122 0.000 1.021 69 Y CA -0.379 57.734 58.100 0.022 0.000 1.025 69 Y CB 4.648 43.086 38.460 -0.037 0.000 1.266 69 Y HN 0.613 8.803 8.280 -0.149 0.000 0.448 70 T N 5.563 120.056 114.554 -0.102 0.000 2.900 70 T HA 0.851 5.595 4.350 0.374 -0.170 0.303 70 T C -2.337 172.443 174.700 0.132 0.000 1.142 70 T CA -2.656 59.563 62.100 0.198 0.000 1.007 70 T CB 1.799 70.822 68.868 0.259 0.000 1.156 70 T HN -0.121 7.680 8.240 -0.732 0.000 0.490 71 Y N 0.857 121.219 120.300 0.104 0.000 2.609 71 Y HA 0.408 4.969 4.550 0.018 0.000 0.336 71 Y C -2.680 173.271 175.900 0.084 0.000 1.129 71 Y CA -1.761 56.395 58.100 0.094 0.000 1.040 71 Y CB 2.327 40.921 38.460 0.224 0.000 1.310 71 Y HN 0.714 9.008 8.280 0.024 0.000 0.460 72 T N 3.410 117.982 114.554 0.031 0.000 2.806 72 T HA -0.012 4.330 4.350 -0.198 -0.110 0.290 72 T C -0.981 173.748 174.700 0.047 0.000 0.966 72 T CA 0.389 62.450 62.100 -0.065 0.000 1.060 72 T CB 0.497 69.375 68.868 0.017 0.000 0.927 72 T HN 0.111 8.462 8.240 0.185 0.000 0.485 73 L N 6.261 127.448 121.223 -0.061 0.000 2.554 73 L HA -0.181 4.359 4.340 0.334 0.000 0.293 73 L C -0.445 176.556 176.870 0.217 0.000 1.252 73 L CA 1.031 55.954 54.840 0.139 0.000 0.862 73 L CB 0.973 43.055 42.059 0.040 0.000 1.113 73 L HN 0.973 8.957 8.230 -0.184 0.136 0.510 74 S N 2.844 118.690 115.700 0.243 0.000 2.560 74 S HA -0.119 4.424 4.470 0.122 0.000 0.284 74 S C 1.145 175.803 174.600 0.097 0.000 1.327 74 S CA 0.602 58.896 58.200 0.156 0.000 1.055 74 S CB 0.566 63.852 63.200 0.143 0.000 0.868 74 S HN 0.400 8.877 8.310 0.279 0.000 0.506 75 S N 7.463 123.108 115.700 -0.091 0.000 2.595 75 S HA -0.144 3.665 4.470 -1.101 0.000 0.235 75 S C 0.419 174.801 174.600 -0.363 0.000 0.974 75 S CA 2.115 60.005 58.200 -0.517 0.000 0.942 75 S CB -0.568 62.438 63.200 -0.323 0.000 0.766 75 S HN 0.609 8.895 8.310 -0.041 0.000 0.536 76 N N -1.814 116.899 118.700 0.022 0.000 2.299 76 N HA -0.045 4.759 4.740 0.106 0.000 0.187 76 N C -0.683 174.994 175.510 0.279 0.000 1.099 76 N CA 0.627 53.757 53.050 0.134 0.000 0.867 76 N CB 1.472 40.016 38.487 0.095 0.000 0.974 76 N HN -0.346 7.977 8.380 0.058 0.092 0.477 77 N N 1.872 120.840 118.700 0.446 0.000 2.416 77 N HA 0.122 5.093 4.740 0.386 0.000 0.265 77 N C -1.223 174.432 175.510 0.241 0.000 1.195 77 N CA -1.301 52.004 53.050 0.426 0.000 0.943 77 N CB 0.522 39.284 38.487 0.458 0.000 1.115 77 N HN -0.466 8.024 8.380 0.471 0.172 0.481 78 P HA 0.244 4.568 4.420 -0.160 0.000 0.256 78 P C -1.453 175.571 177.300 -0.460 0.000 1.384 78 P CA 0.252 63.184 63.100 -0.279 0.000 0.879 78 P CB -0.441 31.036 31.700 -0.373 0.000 1.403 79 Y N -2.688 117.700 120.300 0.147 0.000 2.498 79 Y HA 0.003 4.698 4.550 -0.012 -0.152 0.259 79 Y C -1.256 174.520 175.900 -0.208 0.000 1.086 79 Y CA 1.070 59.191 58.100 0.036 0.000 1.287 79 Y CB 1.417 39.963 38.460 0.143 0.000 1.146 79 Y HN 0.018 8.690 8.280 0.287 -0.220 0.523 80 F N -3.827 116.150 119.950 0.045 0.000 2.598 80 F HA 0.103 4.640 4.527 0.017 0.000 0.327 80 F C 0.465 176.155 175.800 -0.183 0.000 1.057 80 F CA -1.667 56.323 58.000 -0.017 0.000 0.957 80 F CB 2.149 41.175 39.000 0.043 0.000 1.278 80 F HN -0.982 7.724 8.300 0.496 -0.108 0.484 81 N N 1.316 120.055 118.700 0.064 0.000 2.002 81 N HA -0.318 4.379 4.740 -0.072 0.000 0.199 81 N C 0.180 175.602 175.510 -0.145 0.000 1.067 81 N CA 3.540 56.573 53.050 -0.029 0.000 0.870 81 N CB 0.235 38.753 38.487 0.052 0.000 1.073 81 N HN 0.372 8.831 8.380 0.133 0.000 0.432 82 H N -7.620 111.532 119.070 0.136 0.000 1.796 82 H HA 0.118 4.753 4.556 0.131 0.000 0.115 82 H C -1.945 173.422 175.328 0.065 0.000 1.085 82 H CA 1.149 57.260 56.048 0.105 0.000 0.417 82 H CB -0.249 29.561 29.762 0.079 0.000 0.315 82 H HN -0.188 8.175 8.280 0.139 0.000 0.208 83 P HA 0.111 4.580 4.420 0.082 0.000 0.225 83 P C -1.860 175.476 177.300 0.060 0.000 1.768 83 P CA -0.187 62.971 63.100 0.096 0.000 0.943 83 P CB -2.232 29.512 31.700 0.073 0.000 1.936 84 K N 3.107 123.537 120.400 0.051 0.000 2.347 84 K HA 0.154 4.477 4.320 0.005 0.000 0.262 84 K C -2.131 174.386 176.600 -0.138 0.000 1.052 84 K CA -1.545 54.730 56.287 -0.020 0.000 0.946 84 K CB 0.322 32.809 32.500 -0.022 0.000 1.220 84 K HN 0.299 8.496 8.250 0.092 0.109 0.450 85 N N 5.726 124.345 118.700 -0.134 0.000 2.421 85 N HA 0.690 5.411 4.740 -0.353 -0.193 0.285 85 N C -0.606 174.759 175.510 -0.241 0.000 1.027 85 N CA -0.985 51.931 53.050 -0.225 0.000 0.918 85 N CB 1.190 39.608 38.487 -0.116 0.000 1.152 85 N HN 0.027 8.363 8.380 -0.074 0.000 0.485 86 L N 1.436 122.399 121.223 -0.433 0.000 2.325 86 L HA 0.331 4.622 4.340 -0.083 0.000 0.278 86 L C -1.465 175.447 176.870 0.070 0.000 1.023 86 L CA -0.742 53.981 54.840 -0.195 0.000 0.811 86 L CB 2.731 44.650 42.059 -0.235 0.000 1.249 86 L HN 0.858 8.507 8.230 -0.806 0.098 0.431 87 F N 3.159 123.111 119.950 0.003 0.000 2.547 87 F HA 0.587 5.329 4.527 0.096 -0.158 0.316 87 F C -1.911 173.941 175.800 0.088 0.000 1.121 87 F CA -1.808 56.224 58.000 0.053 0.000 0.911 87 F CB 3.825 42.824 39.000 -0.001 0.000 1.179 87 F HN 0.060 8.470 8.300 0.183 0.000 0.443 88 A N 6.614 128.949 122.820 -0.808 0.000 2.256 88 A HA 0.389 4.405 4.320 -0.506 0.000 0.317 88 A C -1.440 175.444 177.584 -1.168 0.000 1.318 88 A CA -1.637 49.983 52.037 -0.697 0.000 0.894 88 A CB 1.506 20.390 19.000 -0.193 0.000 1.165 88 A HN 1.234 8.956 8.150 -0.499 0.129 0.525 89 A N 6.951 129.178 122.820 -0.988 0.000 2.900 89 A HA -0.001 4.157 4.320 -0.432 -0.096 0.246 89 A C 0.543 177.980 177.584 -0.245 0.000 1.725 89 A CA -0.350 51.405 52.037 -0.470 0.000 1.400 89 A CB -2.045 16.935 19.000 -0.034 0.000 0.973 89 A HN 0.875 8.614 8.150 -0.686 0.000 0.635 90 I N 2.696 123.113 120.570 -0.255 0.000 2.118 90 I HA -0.568 3.480 4.170 -0.204 0.000 0.241 90 I C 1.587 177.633 176.117 -0.118 0.000 1.070 90 I CA 4.047 65.246 61.300 -0.168 0.000 1.327 90 I CB -0.470 37.444 38.000 -0.143 0.000 1.034 90 I HN 0.626 8.526 8.210 -0.344 0.104 0.405 91 S N -2.289 113.376 115.700 -0.057 0.000 2.423 91 S HA -0.407 4.241 4.470 -0.024 -0.193 0.238 91 S C 0.755 175.333 174.600 -0.037 0.000 1.028 91 S CA 2.750 60.937 58.200 -0.022 0.000 1.000 91 S CB -0.339 62.876 63.200 0.024 0.000 0.797 91 S HN 0.450 8.889 8.310 -0.041 -0.153 0.487 92 T N -4.569 109.953 114.554 -0.052 0.000 3.174 92 T HA 0.107 4.427 4.350 -0.051 0.000 0.269 92 T C 0.259 174.880 174.700 -0.132 0.000 1.017 92 T CA -1.448 60.616 62.100 -0.061 0.000 0.899 92 T CB 0.380 69.240 68.868 -0.014 0.000 1.077 92 T HN -0.315 7.843 8.240 -0.055 0.049 0.552 93 R N 1.337 121.709 120.500 -0.213 0.000 2.539 93 R HA 0.006 4.151 4.340 -0.325 0.000 0.275 93 R C -0.606 175.461 176.300 -0.387 0.000 1.077 93 R CA -0.601 55.270 56.100 -0.382 0.000 1.097 93 R CB 0.935 30.844 30.300 -0.651 0.000 1.018 93 R HN 0.258 8.202 8.270 -0.188 0.213 0.483 94 Q N 4.118 123.684 119.800 -0.390 0.000 2.508 94 Q HA 0.236 4.445 4.340 -0.218 0.000 0.247 94 Q C -1.292 174.516 176.000 -0.320 0.000 1.047 94 Q CA -1.867 53.772 55.803 -0.272 0.000 0.783 94 Q CB 0.154 28.795 28.738 -0.163 0.000 1.172 94 Q HN 0.620 8.653 8.270 -0.395 0.000 0.515 95 Y N 5.225 125.346 120.300 -0.298 0.000 2.613 95 Y HA -0.109 4.114 4.550 -0.545 0.000 0.354 95 Y C -0.706 174.798 175.900 -0.660 0.000 1.063 95 Y CA -1.071 56.661 58.100 -0.613 0.000 1.384 95 Y CB -0.607 37.305 38.460 -0.913 0.000 1.199 95 Y HN 0.445 8.471 8.280 -0.283 0.084 0.517 96 N N 4.517 123.069 118.700 -0.247 0.000 2.605 96 N HA -0.063 4.625 4.740 -0.086 0.000 0.258 96 N C 0.130 175.587 175.510 -0.088 0.000 1.156 96 N CA -0.890 52.083 53.050 -0.129 0.000 1.008 96 N CB -0.675 37.785 38.487 -0.045 0.000 1.354 96 N HN -0.152 8.123 8.380 -0.175 0.000 0.509 97 W N 4.126 125.490 121.300 0.106 0.000 2.632 97 W HA -0.180 4.531 4.660 0.087 0.000 0.248 97 W C -0.311 176.245 176.519 0.063 0.000 1.259 97 W CA 1.497 58.890 57.345 0.079 0.000 1.288 97 W CB -0.261 29.233 29.460 0.056 0.000 1.136 97 W HN 0.138 8.265 8.180 -0.089 0.000 0.640 98 N N -4.220 114.619 118.700 0.232 0.000 2.392 98 N HA -0.036 4.797 4.740 0.155 0.000 0.177 98 N C 0.666 176.248 175.510 0.120 0.000 1.066 98 N CA 1.490 54.631 53.050 0.152 0.000 0.895 98 N CB -0.359 38.190 38.487 0.105 0.000 0.988 98 N HN -0.446 8.122 8.380 0.176 -0.082 0.457 99 N N -1.049 117.720 118.700 0.115 0.000 2.414 99 N HA 0.068 4.863 4.740 0.093 0.000 0.177 99 N C 0.196 175.813 175.510 0.177 0.000 1.062 99 N CA 0.558 53.671 53.050 0.105 0.000 0.890 99 N CB 2.332 40.855 38.487 0.059 0.000 1.070 99 N HN -0.128 8.283 8.380 0.107 0.034 0.454 100 I N 3.017 123.712 120.570 0.208 0.000 2.553 100 I HA -0.184 4.189 4.170 0.339 0.000 0.295 100 I C -0.704 175.665 176.117 0.420 0.000 1.128 100 I CA 0.315 61.814 61.300 0.332 0.000 2.128 100 I CB -2.288 35.894 38.000 0.303 0.000 1.543 100 I HN -0.140 8.175 8.210 0.176 0.000 0.970 101 L N 2.981 124.381 121.223 0.296 0.000 2.536 101 L HA -0.095 4.256 4.340 0.018 0.000 0.294 101 L C 0.133 177.109 176.870 0.177 0.000 1.257 101 L CA 0.220 55.031 54.840 -0.048 0.000 0.850 101 L CB -0.783 40.881 42.059 -0.659 0.000 1.105 101 L HN 0.152 8.533 8.230 0.352 0.060 0.517 102 P HA 0.075 4.617 4.420 0.204 0.000 0.227 102 P C -0.700 176.752 177.300 0.254 0.000 1.161 102 P CA 1.502 64.696 63.100 0.157 0.000 0.788 102 P CB 0.405 32.085 31.700 -0.033 0.000 0.822 103 T N -2.361 112.268 114.554 0.125 0.000 2.971 103 T HA 0.350 5.276 4.350 0.592 -0.221 0.304 103 T C -1.567 173.122 174.700 -0.019 0.000 1.038 103 T CA -1.186 61.084 62.100 0.282 0.000 1.007 103 T CB 1.516 70.578 68.868 0.323 0.000 1.055 103 T HN -0.725 7.416 8.240 -0.108 0.034 0.451 104 Y N 6.816 127.349 120.300 0.388 0.000 2.409 104 Y HA 0.222 4.956 4.550 0.101 -0.124 0.343 104 Y C -0.366 175.640 175.900 0.178 0.000 0.973 104 Y CA -1.252 56.946 58.100 0.163 0.000 1.064 104 Y CB 2.930 41.307 38.460 -0.137 0.000 1.207 104 Y HN 0.151 8.932 8.280 0.835 0.000 0.452 105 S N 0.721 116.559 115.700 0.230 0.000 2.556 105 S HA 0.159 4.746 4.470 0.195 0.000 0.216 105 S C 0.498 175.189 174.600 0.150 0.000 0.970 105 S CA -0.306 57.998 58.200 0.172 0.000 0.912 105 S CB 1.973 65.235 63.200 0.103 0.000 0.790 105 S HN 0.073 8.778 8.310 0.181 -0.287 0.504 106 G N 0.609 109.498 108.800 0.148 0.000 2.143 106 G HA2 -0.385 3.584 3.960 0.016 0.000 0.249 106 G HA3 -0.385 3.623 3.960 0.080 0.000 0.249 106 G C -0.217 174.716 174.900 0.056 0.000 0.981 106 G CA 0.726 45.870 45.100 0.073 0.000 0.665 106 G HN 0.287 8.626 8.290 0.201 0.071 0.528 107 R N -2.045 118.497 120.500 0.070 0.000 2.535 107 R HA 0.075 4.437 4.340 0.038 0.000 0.323 107 R C -0.613 175.716 176.300 0.050 0.000 0.979 107 R CA -0.801 55.329 56.100 0.049 0.000 1.120 107 R CB 0.682 31.010 30.300 0.046 0.000 1.306 107 R HN -0.577 7.690 8.270 0.093 0.059 0.540 108 E N 0.358 120.602 120.200 0.074 0.000 2.391 108 E HA 0.006 4.387 4.350 0.051 0.000 0.255 108 E C -0.325 176.306 176.600 0.052 0.000 1.187 108 E CA -0.111 56.334 56.400 0.074 0.000 0.941 108 E CB 0.388 30.171 29.700 0.138 0.000 1.010 108 E HN -0.461 7.903 8.360 0.100 0.056 0.458 109 S N -0.557 115.169 115.700 0.043 0.000 2.592 109 S HA -0.224 4.257 4.470 0.018 0.000 0.256 109 S C 1.043 175.653 174.600 0.017 0.000 1.369 109 S CA 1.647 59.862 58.200 0.026 0.000 0.984 109 S CB 1.129 64.344 63.200 0.023 0.000 0.919 109 S HN 0.124 8.461 8.310 0.045 0.000 0.576 110 N N 0.690 119.390 118.700 -0.000 0.000 2.300 110 N HA -0.133 4.584 4.740 -0.038 0.000 0.179 110 N C 2.023 177.519 175.510 -0.022 0.000 1.016 110 N CA 2.904 55.940 53.050 -0.022 0.000 0.876 110 N CB -0.070 38.404 38.487 -0.023 0.000 0.979 110 N HN 0.415 8.796 8.380 0.002 0.000 0.432 111 V N 0.518 120.429 119.914 -0.005 0.000 2.219 111 V HA -0.544 3.567 4.120 -0.015 0.000 0.248 111 V C 1.488 177.588 176.094 0.010 0.000 1.053 111 V CA 5.808 68.107 62.300 -0.002 0.000 1.009 111 V CB -0.154 31.674 31.823 0.008 0.000 0.636 111 V HN -0.084 8.106 8.190 0.001 0.000 0.445 112 Q N -2.872 116.958 119.800 0.051 0.000 2.124 112 Q HA -0.395 4.102 4.340 0.112 -0.089 0.202 112 Q C 2.303 178.352 176.000 0.083 0.000 0.977 112 Q CA 3.618 59.497 55.803 0.128 0.000 0.850 112 Q CB -0.588 28.273 28.738 0.204 0.000 0.901 112 Q HN 0.186 8.486 8.270 0.051 0.000 0.429 113 K N 0.187 120.577 120.400 -0.016 0.000 2.057 113 K HA -0.344 3.676 4.320 -0.500 0.000 0.207 113 K C 2.386 178.840 176.600 -0.244 0.000 1.049 113 K CA 3.170 59.313 56.287 -0.241 0.000 0.931 113 K CB -0.247 32.143 32.500 -0.183 0.000 0.714 113 K HN -0.705 7.465 8.250 0.015 0.089 0.440 114 M N 0.141 119.659 119.600 -0.137 0.000 2.149 114 M HA -0.340 4.055 4.480 -0.141 0.000 0.261 114 M C 1.843 178.073 176.300 -0.116 0.000 1.064 114 M CA 3.532 58.760 55.300 -0.121 0.000 1.102 114 M CB 0.183 32.736 32.600 -0.077 0.000 1.369 114 M HN 0.611 8.652 8.290 -0.091 0.194 0.408 115 A N 0.089 122.858 122.820 -0.084 0.000 1.834 115 A HA -0.373 3.918 4.320 -0.049 0.000 0.216 115 A C 1.542 179.077 177.584 -0.082 0.000 1.203 115 A CA 3.145 55.151 52.037 -0.052 0.000 0.621 115 A CB -0.855 18.154 19.000 0.014 0.000 0.841 115 A HN -0.191 7.823 8.150 -0.061 0.099 0.446 116 I N -1.707 118.767 120.570 -0.160 0.000 2.264 116 I HA -0.423 3.668 4.170 -0.132 0.000 0.248 116 I C 1.052 177.008 176.117 -0.267 0.000 1.111 116 I CA 1.100 62.235 61.300 -0.276 0.000 1.382 116 I CB -0.320 37.256 38.000 -0.707 0.000 1.060 116 I HN -0.546 7.577 8.210 -0.145 0.000 0.418 117 S N 1.087 116.600 115.700 -0.311 0.000 2.374 117 S HA -0.402 4.156 4.470 -0.218 -0.219 0.227 117 S C 2.344 176.878 174.600 -0.109 0.000 1.037 117 S CA 3.040 61.107 58.200 -0.221 0.000 1.024 117 S CB -0.492 62.566 63.200 -0.236 0.000 0.861 117 S HN 0.188 8.268 8.310 -0.370 0.008 0.456 118 E N 2.944 123.097 120.200 -0.079 0.000 2.072 118 E HA -0.281 4.051 4.350 -0.029 0.000 0.191 118 E C 1.932 178.582 176.600 0.083 0.000 0.985 118 E CA 2.740 59.130 56.400 -0.016 0.000 0.801 118 E CB 0.098 29.776 29.700 -0.037 0.000 0.750 118 E HN -0.503 7.794 8.360 -0.101 0.002 0.452 119 L N 1.305 122.597 121.223 0.115 0.000 1.990 119 L HA -0.356 4.222 4.340 0.398 0.000 0.213 119 L C 1.804 178.730 176.870 0.094 0.000 1.072 119 L CA 3.520 58.457 54.840 0.162 0.000 0.755 119 L CB -0.152 41.910 42.059 0.006 0.000 0.889 119 L HN -0.202 7.986 8.230 0.047 0.069 0.432 120 M N -2.005 117.615 119.600 0.033 0.000 2.080 120 M HA -0.498 4.012 4.480 0.049 0.000 0.260 120 M C 2.322 178.688 176.300 0.109 0.000 1.068 120 M CA 3.644 58.976 55.300 0.053 0.000 1.109 120 M CB -0.837 31.785 32.600 0.036 0.000 1.342 120 M HN 0.300 8.580 8.290 -0.016 0.000 0.405 121 A N 0.175 123.045 122.820 0.083 0.000 1.933 121 A HA -0.244 4.157 4.320 0.134 0.000 0.218 121 A C 2.332 180.004 177.584 0.148 0.000 1.175 121 A CA 2.914 55.008 52.037 0.094 0.000 0.628 121 A CB -0.649 18.353 19.000 0.004 0.000 0.814 121 A HN 0.308 8.414 8.150 0.039 0.067 0.444 122 D N -0.328 120.173 120.400 0.168 0.000 2.097 122 D HA -0.250 4.489 4.640 0.166 0.000 0.197 122 D C 2.496 179.001 176.300 0.342 0.000 0.984 122 D CA 3.189 57.345 54.000 0.259 0.000 0.826 122 D CB -0.536 40.524 40.800 0.433 0.000 0.973 122 D HN 0.569 8.814 8.370 0.153 0.218 0.460 123 V N 1.312 121.398 119.914 0.288 0.000 2.229 123 V HA -0.308 4.036 4.120 0.373 0.000 0.243 123 V C 2.489 178.640 176.094 0.096 0.000 1.042 123 V CA 3.328 65.745 62.300 0.196 0.000 1.000 123 V CB -0.425 31.407 31.823 0.016 0.000 0.637 123 V HN 0.766 8.953 8.190 0.220 0.136 0.446 124 G N -1.149 107.714 108.800 0.106 0.000 2.505 124 G HA2 -0.382 3.550 3.960 -0.045 0.000 0.220 124 G HA3 -0.382 3.737 3.960 0.228 -0.023 0.220 124 G C 1.341 176.281 174.900 0.067 0.000 1.145 124 G CA 2.496 47.646 45.100 0.084 0.000 0.761 124 G HN 0.606 8.846 8.290 0.125 0.125 0.571 125 I N 2.187 122.887 120.570 0.216 0.000 2.133 125 I HA -0.504 3.870 4.170 0.340 0.000 0.238 125 I C 1.632 177.692 176.117 -0.096 0.000 1.074 125 I CA 3.567 65.007 61.300 0.233 0.000 1.342 125 I CB 0.025 38.225 38.000 0.334 0.000 1.053 125 I HN -0.186 8.059 8.210 0.250 0.115 0.404 126 S N 0.924 116.523 115.700 -0.168 0.000 2.423 126 S HA -0.283 3.421 4.470 -1.372 -0.057 0.238 126 S C 1.198 175.317 174.600 -0.803 0.000 1.028 126 S CA 3.398 61.180 58.200 -0.697 0.000 1.000 126 S CB 0.275 63.331 63.200 -0.241 0.000 0.797 126 S HN 0.452 8.657 8.310 0.030 0.123 0.487 127 V N -6.714 112.950 119.914 -0.417 0.000 3.110 127 V HA 0.337 4.233 4.120 -0.374 0.000 0.368 127 V C -0.967 174.885 176.094 -0.404 0.000 1.332 127 V CA -1.345 60.740 62.300 -0.358 0.000 1.287 127 V CB -0.461 31.219 31.823 -0.240 0.000 1.277 127 V HN -0.376 7.514 8.190 -0.264 0.142 0.502 128 D N -2.470 117.590 120.400 -0.566 0.000 2.702 128 D HA -0.488 2.861 4.640 -2.152 0.000 0.233 128 D C -0.962 174.840 176.300 -0.831 0.000 1.164 128 D CA 1.765 55.154 54.000 -1.018 0.000 0.638 128 D CB -2.030 38.488 40.800 -0.469 0.000 1.041 128 D HN 0.572 8.451 8.370 -0.549 0.162 0.422 129 M N -0.631 118.552 119.600 -0.695 0.000 2.260 129 M HA -0.335 3.871 4.480 -0.456 0.000 0.348 129 M C -1.359 174.489 176.300 -0.753 0.000 1.342 129 M CA 0.171 55.076 55.300 -0.659 0.000 1.040 129 M CB 0.355 32.494 32.600 -0.769 0.000 1.810 129 M HN 0.281 8.113 8.290 -0.590 0.104 0.453 130 D N 7.142 127.267 120.400 -0.458 0.000 2.343 130 D HA -0.016 4.579 4.640 -0.075 0.000 0.255 130 D C -1.544 174.570 176.300 -0.310 0.000 1.187 130 D CA -0.383 53.486 54.000 -0.219 0.000 0.875 130 D CB 1.224 41.999 40.800 -0.041 0.000 1.136 130 D HN 0.316 8.348 8.370 -0.355 0.125 0.469 131 Y N 3.379 123.733 120.300 0.090 0.000 2.353 131 Y HA 0.044 4.624 4.550 0.051 0.000 0.340 131 Y C -0.601 175.382 175.900 0.139 0.000 0.972 131 Y CA -0.678 57.474 58.100 0.086 0.000 1.157 131 Y CB 1.341 39.847 38.460 0.078 0.000 1.157 131 Y HN -0.096 8.255 8.280 0.118 0.000 0.495 132 G N 1.600 110.425 108.800 0.042 0.000 2.815 132 G HA2 0.448 4.093 3.960 -0.524 0.000 0.305 132 G HA3 0.448 3.752 3.960 -1.093 0.000 0.305 132 G C -2.658 171.963 174.900 -0.466 0.000 1.277 132 G CA -0.989 43.766 45.100 -0.574 0.000 0.795 132 G HN -0.520 7.799 8.290 0.049 0.000 0.528 133 P HA -0.045 4.225 4.420 -0.251 0.000 0.218 133 P C -1.156 175.978 177.300 -0.276 0.000 1.149 133 P CA 0.970 63.773 63.100 -0.494 0.000 0.817 133 P CB 0.343 31.418 31.700 -1.042 0.000 0.785 134 S N -1.156 114.363 115.700 -0.303 0.000 2.509 134 S HA 0.226 4.669 4.470 -0.045 0.000 0.297 134 S C -1.199 173.343 174.600 -0.096 0.000 1.118 134 S CA -0.630 57.502 58.200 -0.113 0.000 1.074 134 S CB 2.279 65.443 63.200 -0.060 0.000 1.038 134 S HN -0.307 7.695 8.310 -0.478 0.021 0.498 135 S N 4.349 120.011 115.700 -0.063 0.000 2.594 135 S HA 0.263 4.831 4.470 -0.098 -0.157 0.322 135 S C -1.134 173.400 174.600 -0.111 0.000 1.085 135 S CA -0.628 57.513 58.200 -0.098 0.000 1.116 135 S CB 1.853 65.003 63.200 -0.084 0.000 0.979 135 S HN 0.128 8.403 8.310 -0.059 0.000 0.465 136 G N 2.437 111.185 108.800 -0.086 0.000 2.379 136 G HA2 0.313 4.258 3.960 -0.025 0.000 0.327 136 G HA3 0.313 4.282 3.960 0.014 0.000 0.327 136 G C -1.844 172.999 174.900 -0.094 0.000 1.145 136 G CA -1.317 43.759 45.100 -0.041 0.000 0.905 136 G HN 0.264 8.510 8.290 -0.073 0.000 0.466 137 S N 3.749 119.400 115.700 -0.082 0.000 2.786 137 S HA 0.340 4.712 4.470 -0.163 0.000 0.302 137 S C -0.420 174.156 174.600 -0.039 0.000 1.080 137 S CA -2.366 55.764 58.200 -0.118 0.000 0.925 137 S CB 1.233 64.337 63.200 -0.160 0.000 1.325 137 S HN 0.154 8.439 8.310 -0.042 0.000 0.576 138 A N -1.347 121.442 122.820 -0.051 0.000 1.881 138 A HA 0.306 4.645 4.320 0.031 0.000 0.210 138 A C -0.884 176.719 177.584 0.032 0.000 1.239 138 A CA 0.988 53.024 52.037 -0.002 0.000 0.629 138 A CB 1.146 20.130 19.000 -0.026 0.000 0.906 138 A HN 0.345 8.434 8.150 -0.101 0.000 0.460 139 G N -4.435 104.367 108.800 0.003 0.000 2.204 139 G HA2 -0.307 3.761 3.960 0.208 0.000 0.153 139 G HA3 -0.307 3.953 3.960 0.177 -0.193 0.153 139 G C 0.153 175.003 174.900 -0.084 0.000 1.295 139 G CA -0.087 45.079 45.100 0.109 0.000 1.257 139 G HN -0.825 7.429 8.290 -0.060 0.000 0.495 140 S N 3.649 119.359 115.700 0.018 0.000 2.369 140 S HA -0.485 3.630 4.470 -0.593 0.000 0.225 140 S C 2.003 176.488 174.600 -0.192 0.000 1.043 140 S CA 4.731 62.818 58.200 -0.189 0.000 1.074 140 S CB 0.085 63.295 63.200 0.017 0.000 0.962 140 S HN 0.424 8.876 8.310 0.236 0.000 0.433 141 S N 1.098 116.743 115.700 -0.092 0.000 2.392 141 S HA -0.333 4.100 4.470 -0.061 0.000 0.232 141 S C 2.042 176.579 174.600 -0.104 0.000 1.041 141 S CA 2.703 60.858 58.200 -0.074 0.000 1.026 141 S CB -0.298 62.876 63.200 -0.042 0.000 0.845 141 S HN 0.344 8.627 8.310 -0.046 0.000 0.465 142 R N 1.014 121.428 120.500 -0.142 0.000 2.066 142 R HA -0.108 4.147 4.340 -0.141 0.000 0.224 142 R C 2.218 178.375 176.300 -0.239 0.000 1.122 142 R CA 1.822 57.815 56.100 -0.178 0.000 0.974 142 R CB -0.404 29.782 30.300 -0.190 0.000 0.871 142 R HN -0.573 7.504 8.270 -0.136 0.112 0.435 143 V N 1.072 120.771 119.914 -0.359 0.000 2.244 143 V HA -0.294 3.623 4.120 -0.338 0.000 0.244 143 V C 1.963 177.854 176.094 -0.339 0.000 1.042 143 V CA 3.875 65.891 62.300 -0.473 0.000 1.006 143 V CB -0.559 30.616 31.823 -1.080 0.000 0.641 143 V HN 0.907 8.678 8.190 -0.389 0.185 0.446 144 Q N -1.162 118.440 119.800 -0.331 0.000 2.181 144 Q HA -0.371 3.857 4.340 -0.186 0.000 0.205 144 Q C 1.839 177.786 176.000 -0.088 0.000 0.980 144 Q CA 3.299 58.993 55.803 -0.183 0.000 0.862 144 Q CB -0.948 27.708 28.738 -0.137 0.000 0.905 144 Q HN 0.730 8.630 8.270 -0.398 0.131 0.429 145 R N -0.024 120.422 120.500 -0.089 0.000 2.055 145 R HA -0.248 4.091 4.340 -0.001 0.000 0.226 145 R C 1.589 177.871 176.300 -0.030 0.000 1.135 145 R CA 2.776 58.856 56.100 -0.032 0.000 0.959 145 R CB -0.024 30.263 30.300 -0.022 0.000 0.854 145 R HN -0.716 7.459 8.270 -0.131 0.016 0.431 146 A N 0.090 122.856 122.820 -0.091 0.000 1.933 146 A HA -0.227 3.984 4.320 -0.182 0.000 0.218 146 A C 2.156 179.792 177.584 0.087 0.000 1.175 146 A CA 3.053 55.025 52.037 -0.108 0.000 0.628 146 A CB -0.581 18.337 19.000 -0.136 0.000 0.814 146 A HN 0.648 8.583 8.150 -0.136 0.134 0.444 147 L N -2.883 118.423 121.223 0.138 0.000 2.012 147 L HA -0.504 4.155 4.340 0.531 0.000 0.210 147 L C 2.499 179.576 176.870 0.345 0.000 1.073 147 L CA 3.469 58.460 54.840 0.251 0.000 0.748 147 L CB -0.317 41.700 42.059 -0.070 0.000 0.891 147 L HN 0.758 8.853 8.230 -0.002 0.134 0.431 148 K N -1.778 118.737 120.400 0.190 0.000 2.166 148 K HA -0.118 4.469 4.320 0.287 -0.095 0.201 148 K C 3.084 179.767 176.600 0.137 0.000 1.052 148 K CA 2.905 59.309 56.287 0.196 0.000 0.969 148 K CB 0.130 32.705 32.500 0.124 0.000 0.761 148 K HN -0.706 7.606 8.250 0.103 0.000 0.459 149 E N -0.300 119.944 120.200 0.073 0.000 2.028 149 E HA -0.247 4.141 4.350 0.062 0.000 0.191 149 E C 1.882 178.466 176.600 -0.026 0.000 0.988 149 E CA 2.706 59.133 56.400 0.045 0.000 0.799 149 E CB 0.004 29.745 29.700 0.069 0.000 0.755 149 E HN 0.478 8.766 8.360 0.061 0.109 0.447 150 N N -2.977 115.600 118.700 -0.205 0.000 2.368 150 N HA -0.028 4.683 4.740 -0.257 -0.125 0.178 150 N C 0.664 175.847 175.510 -0.545 0.000 1.021 150 N CA 2.715 55.463 53.050 -0.503 0.000 0.875 150 N CB 1.653 39.553 38.487 -0.979 0.000 1.020 150 N HN -0.325 7.810 8.380 -0.215 0.116 0.433 151 F N -4.259 115.850 119.950 0.265 0.000 2.660 151 F HA 0.243 4.950 4.527 0.299 0.000 0.302 151 F C 0.161 176.246 175.800 0.474 0.000 1.103 151 F CA -0.642 57.597 58.000 0.399 0.000 1.340 151 F CB -0.418 38.946 39.000 0.607 0.000 1.048 151 F HN -0.181 7.961 8.300 -0.263 0.000 0.551 152 G N -1.224 107.825 108.800 0.415 0.000 2.449 152 G HA2 -0.488 3.805 3.960 0.274 0.000 0.304 152 G HA3 -0.488 3.681 3.960 0.349 0.000 0.304 152 G C -0.060 175.158 174.900 0.530 0.000 0.962 152 G CA 0.912 46.251 45.100 0.397 0.000 0.943 152 G HN -0.624 7.726 8.290 0.232 0.079 0.514 153 Y N -1.233 119.279 120.300 0.353 0.000 2.459 153 Y HA -0.342 4.145 4.550 -0.104 0.000 0.349 153 Y C 0.649 176.530 175.900 -0.032 0.000 1.266 153 Y CA 1.557 59.717 58.100 0.099 0.000 1.483 153 Y CB 0.290 38.809 38.460 0.099 0.000 1.362 153 Y HN 0.007 8.634 8.280 0.811 0.139 0.628 154 N N 0.758 119.427 118.700 -0.053 0.000 2.293 154 N HA -0.310 4.389 4.740 -0.069 0.000 0.253 154 N C 1.399 176.934 175.510 0.041 0.000 1.248 154 N CA 1.225 54.246 53.050 -0.047 0.000 0.845 154 N CB 1.491 39.921 38.487 -0.095 0.000 1.073 154 N HN -0.113 8.027 8.380 -0.200 0.121 0.464 155 Q N 6.042 125.861 119.800 0.032 0.000 2.376 155 Q HA -0.363 4.017 4.340 0.067 0.000 0.211 155 Q C 1.312 177.338 176.000 0.043 0.000 0.986 155 Q CA 2.455 58.284 55.803 0.044 0.000 0.886 155 Q CB -0.570 28.182 28.738 0.024 0.000 0.927 155 Q HN 0.613 8.891 8.270 0.012 0.000 0.457 156 S N -0.808 114.908 115.700 0.026 0.000 2.462 156 S HA -0.330 4.118 4.470 -0.036 0.000 0.243 156 S C 0.728 175.436 174.600 0.179 0.000 1.003 156 S CA 2.261 60.478 58.200 0.029 0.000 0.970 156 S CB -0.586 62.620 63.200 0.010 0.000 0.762 156 S HN 0.481 9.292 8.310 0.009 -0.495 0.510 157 V N 5.028 125.034 119.914 0.154 0.000 2.509 157 V HA -0.347 4.022 4.120 0.135 -0.168 0.297 157 V C -0.764 175.461 176.094 0.218 0.000 1.014 157 V CA 2.493 64.885 62.300 0.153 0.000 1.127 157 V CB -0.133 31.728 31.823 0.063 0.000 0.925 157 V HN -0.326 7.759 8.190 0.106 0.169 0.480 158 H N 4.330 123.372 119.070 -0.047 0.000 2.961 158 H HA 0.467 5.006 4.556 -0.028 0.000 0.371 158 H C -2.203 173.092 175.328 -0.054 0.000 1.190 158 H CA -2.949 53.076 56.048 -0.038 0.000 1.138 158 H CB 1.970 31.718 29.762 -0.024 0.000 1.816 158 H HN 0.130 8.337 8.280 -0.122 0.000 0.551 159 Q N 1.445 121.227 119.800 -0.030 0.000 2.226 159 Q HA 0.739 5.144 4.340 -0.165 -0.165 0.256 159 Q C -0.838 175.153 176.000 -0.016 0.000 0.962 159 Q CA -1.473 54.283 55.803 -0.079 0.000 0.887 159 Q CB 2.776 31.499 28.738 -0.024 0.000 1.282 159 Q HN 0.171 8.482 8.270 0.069 0.000 0.449 160 I N -2.419 118.134 120.570 -0.028 0.000 2.686 160 I HA 0.420 4.740 4.170 0.249 0.000 0.295 160 I C -1.928 174.417 176.117 0.381 0.000 1.114 160 I CA -1.547 59.812 61.300 0.100 0.000 1.038 160 I CB 3.571 41.353 38.000 -0.365 0.000 1.238 160 I HN 1.225 9.270 8.210 -0.068 0.124 0.420 161 N N 5.583 124.609 118.700 0.543 0.000 2.546 161 N HA 0.316 5.248 4.740 0.140 -0.108 0.238 161 N C 0.455 175.933 175.510 -0.053 0.000 0.984 161 N CA -0.850 52.355 53.050 0.258 0.000 0.935 161 N CB 1.362 39.970 38.487 0.201 0.000 1.122 161 N HN 0.461 9.345 8.380 0.840 0.000 0.510 162 R N 7.891 127.761 120.500 -1.050 0.000 2.140 162 R HA -0.333 2.091 4.340 -3.192 0.000 0.250 162 R C 1.800 177.737 176.300 -0.606 0.000 1.150 162 R CA 2.821 57.783 56.100 -1.897 0.000 0.966 162 R CB -0.443 28.939 30.300 -1.530 0.000 0.869 162 R HN 0.562 8.334 8.270 -0.725 0.063 0.445 163 G N -2.474 106.160 108.800 -0.277 0.000 2.470 163 G HA2 -0.215 3.677 3.960 -0.113 0.000 0.220 163 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.220 163 G C 0.397 175.273 174.900 -0.039 0.000 1.121 163 G CA 1.577 46.623 45.100 -0.091 0.000 0.766 163 G HN -0.354 7.781 8.290 -0.243 0.009 0.553 164 D N -0.932 119.470 120.400 0.004 0.000 2.369 164 D HA 0.172 4.769 4.640 -0.072 0.000 0.211 164 D C -0.933 175.259 176.300 -0.181 0.000 1.077 164 D CA 0.157 54.121 54.000 -0.061 0.000 0.842 164 D CB 0.608 41.365 40.800 -0.072 0.000 0.947 164 D HN 0.289 8.492 8.370 0.043 0.193 0.509 165 F N -0.712 119.217 119.950 -0.035 0.000 2.613 165 F HA 0.161 4.754 4.527 0.110 0.000 0.342 165 F C -1.506 174.322 175.800 0.047 0.000 1.066 165 F CA -1.375 56.682 58.000 0.095 0.000 1.002 165 F CB 4.046 43.272 39.000 0.376 0.000 1.319 165 F HN -0.629 7.577 8.300 0.149 0.184 0.495 166 S N 0.073 115.976 115.700 0.338 0.000 2.462 166 S HA 0.237 4.781 4.470 0.123 0.000 0.294 166 S C 0.672 175.432 174.600 0.266 0.000 1.144 166 S CA -1.407 56.915 58.200 0.204 0.000 1.088 166 S CB 1.593 64.883 63.200 0.151 0.000 1.009 166 S HN 0.098 8.681 8.310 0.455 0.000 0.484 167 K N 5.357 125.868 120.400 0.185 0.000 2.117 167 K HA -0.604 3.885 4.320 0.282 0.000 0.215 167 K C 1.524 178.272 176.600 0.247 0.000 1.053 167 K CA 4.129 60.548 56.287 0.221 0.000 0.935 167 K CB -0.242 32.335 32.500 0.129 0.000 0.719 167 K HN 0.767 9.085 8.250 0.114 0.000 0.460 168 Q N -4.568 115.342 119.800 0.183 0.000 1.967 168 Q HA -0.221 4.196 4.340 0.128 0.000 0.202 168 Q C 2.212 178.318 176.000 0.176 0.000 0.985 168 Q CA 2.988 58.881 55.803 0.150 0.000 0.839 168 Q CB -0.793 28.012 28.738 0.111 0.000 0.906 168 Q HN 0.204 8.559 8.270 0.156 0.008 0.423 169 D N 0.140 120.671 120.400 0.218 0.000 2.309 169 D HA -0.214 4.525 4.640 0.164 0.000 0.212 169 D C 1.978 178.433 176.300 0.259 0.000 0.968 169 D CA 2.772 56.917 54.000 0.242 0.000 0.882 169 D CB -0.641 40.358 40.800 0.332 0.000 0.918 169 D HN -0.113 8.387 8.370 0.216 0.000 0.503 170 W N 0.415 121.763 121.300 0.080 0.000 2.407 170 W HA -0.339 4.225 4.660 -0.160 0.000 0.305 170 W C 1.034 177.511 176.519 -0.069 0.000 1.196 170 W CA 2.847 60.179 57.345 -0.022 0.000 1.311 170 W CB 0.888 30.383 29.460 0.057 0.000 1.135 170 W HN 0.481 8.663 8.180 0.433 0.259 0.514 171 E N -1.824 118.361 120.200 -0.026 0.000 2.150 171 E HA -0.406 3.683 4.350 -0.434 0.000 0.193 171 E C 2.159 178.682 176.600 -0.129 0.000 0.985 171 E CA 2.747 59.036 56.400 -0.186 0.000 0.814 171 E CB -0.251 29.450 29.700 0.003 0.000 0.752 171 E HN -0.207 8.258 8.360 0.175 0.000 0.466 172 A N 0.188 122.978 122.820 -0.050 0.000 1.892 172 A HA -0.450 3.874 4.320 0.007 0.000 0.218 172 A C 2.223 179.743 177.584 -0.106 0.000 1.188 172 A CA 3.822 55.842 52.037 -0.030 0.000 0.631 172 A CB -0.942 18.069 19.000 0.017 0.000 0.822 172 A HN -0.158 7.977 8.150 0.006 0.019 0.447 173 Q N -2.373 117.291 119.800 -0.227 0.000 2.084 173 Q HA -0.285 3.956 4.340 -0.165 0.000 0.202 173 Q C 2.665 178.485 176.000 -0.301 0.000 0.978 173 Q CA 2.944 58.569 55.803 -0.296 0.000 0.844 173 Q CB -0.129 28.276 28.738 -0.555 0.000 0.898 173 Q HN -0.675 7.441 8.270 -0.258 -0.000 0.426 174 I N 0.676 121.018 120.570 -0.379 0.000 2.188 174 I HA -0.530 3.471 4.170 -0.282 0.000 0.237 174 I C 1.720 177.792 176.117 -0.075 0.000 1.073 174 I CA 4.563 65.691 61.300 -0.287 0.000 1.359 174 I CB -0.162 37.579 38.000 -0.430 0.000 1.083 174 I HN -0.788 7.043 8.210 -0.478 0.093 0.412 175 D N 0.290 120.719 120.400 0.048 0.000 2.133 175 D HA -0.477 4.326 4.640 0.271 0.000 0.192 175 D C 2.161 178.488 176.300 0.044 0.000 1.001 175 D CA 4.292 58.394 54.000 0.169 0.000 0.844 175 D CB -0.104 40.811 40.800 0.191 0.000 0.944 175 D HN 0.423 8.677 8.370 -0.009 0.110 0.447 176 K N -0.738 119.663 120.400 0.002 0.000 2.044 176 K HA -0.397 3.923 4.320 0.001 0.000 0.210 176 K C 2.225 178.817 176.600 -0.012 0.000 1.049 176 K CA 3.393 59.676 56.287 -0.008 0.000 0.927 176 K CB -0.423 32.068 32.500 -0.017 0.000 0.713 176 K HN -0.332 7.911 8.250 -0.015 -0.002 0.443 177 E N -1.688 118.491 120.200 -0.034 0.000 2.049 177 E HA -0.265 4.070 4.350 -0.025 0.000 0.198 177 E C 2.796 179.380 176.600 -0.027 0.000 1.007 177 E CA 2.773 59.148 56.400 -0.040 0.000 0.809 177 E CB -0.715 28.932 29.700 -0.088 0.000 0.749 177 E HN -0.816 7.437 8.360 -0.059 0.072 0.450 178 L N -1.954 119.262 121.223 -0.011 0.000 2.141 178 L HA -0.357 4.100 4.340 -0.035 -0.137 0.209 178 L C 2.423 179.293 176.870 0.001 0.000 1.094 178 L CA 2.856 57.694 54.840 -0.003 0.000 0.763 178 L CB -0.684 41.404 42.059 0.047 0.000 0.908 178 L HN 0.300 8.466 8.230 0.001 0.065 0.437 179 S N -1.168 114.535 115.700 0.006 0.000 2.402 179 S HA -0.326 4.143 4.470 -0.002 0.000 0.233 179 S C 0.802 175.403 174.600 0.002 0.000 1.030 179 S CA 2.780 60.980 58.200 0.001 0.000 1.003 179 S CB -0.028 63.172 63.200 0.000 0.000 0.813 179 S HN 0.541 8.630 8.310 0.011 0.228 0.477 180 Q N -0.001 119.802 119.800 0.003 0.000 2.237 180 Q HA 0.151 4.498 4.340 0.012 0.000 0.252 180 Q C -0.848 175.168 176.000 0.027 0.000 0.877 180 Q CA -0.938 54.872 55.803 0.012 0.000 1.011 180 Q CB -0.142 28.600 28.738 0.007 0.000 1.118 180 Q HN -0.674 7.461 8.270 -0.000 0.135 0.458 181 N N -2.017 116.695 118.700 0.019 0.000 2.707 181 N HA -0.474 4.293 4.740 -0.007 -0.031 0.253 181 N C -1.706 173.806 175.510 0.003 0.000 0.998 181 N CA 1.704 54.770 53.050 0.027 0.000 0.751 181 N CB -2.047 36.496 38.487 0.094 0.000 0.920 181 N HN 0.439 8.649 8.380 0.010 0.175 0.539 182 Q N -2.745 117.028 119.800 -0.046 0.000 2.339 182 Q HA 0.407 4.720 4.340 -0.046 0.000 0.268 182 Q C -2.443 173.460 176.000 -0.163 0.000 1.027 182 Q CA -3.125 52.643 55.803 -0.059 0.000 0.759 182 Q CB 2.804 31.554 28.738 0.021 0.000 1.244 182 Q HN -0.309 7.849 8.270 -0.038 0.090 0.464 183 P HA 0.099 4.521 4.420 -0.225 -0.137 0.273 183 P C -1.834 175.355 177.300 -0.185 0.000 1.250 183 P CA -0.768 62.154 63.100 -0.296 0.000 0.793 183 P CB 1.115 32.529 31.700 -0.477 0.000 1.011 184 V N -2.535 117.281 119.914 -0.164 0.000 2.540 184 V HA 0.188 4.214 4.120 -0.158 0.000 0.302 184 V C -0.717 175.277 176.094 -0.167 0.000 1.035 184 V CA -1.249 60.956 62.300 -0.159 0.000 0.873 184 V CB 3.293 35.018 31.823 -0.163 0.000 0.992 184 V HN 0.323 8.306 8.190 -0.154 0.115 0.428 185 Y N 10.123 130.265 120.300 -0.265 0.000 2.436 185 Y HA 0.085 4.464 4.550 -0.284 0.000 0.343 185 Y C -2.660 173.022 175.900 -0.364 0.000 1.008 185 Y CA -1.058 56.865 58.100 -0.294 0.000 1.241 185 Y CB 0.346 38.643 38.460 -0.271 0.000 1.153 185 Y HN 0.494 8.746 8.280 -0.047 0.000 0.521 186 Y N 8.863 128.332 120.300 -1.384 0.000 2.562 186 Y HA 0.285 4.337 4.550 -0.829 0.000 0.343 186 Y C -2.558 172.426 175.900 -1.526 0.000 1.025 186 Y CA -1.688 55.581 58.100 -1.385 0.000 1.082 186 Y CB 4.783 42.164 38.460 -1.799 0.000 1.264 186 Y HN 1.118 8.611 8.280 -1.143 0.101 0.478 187 Q N 0.524 119.875 119.800 -0.747 0.000 2.468 187 Q HA 0.645 4.988 4.340 -0.155 -0.096 0.263 187 Q C -2.305 173.709 176.000 0.024 0.000 0.979 187 Q CA -0.840 54.794 55.803 -0.282 0.000 0.932 187 Q CB 4.420 32.970 28.738 -0.313 0.000 1.462 187 Q HN 0.211 7.841 8.270 -1.067 0.000 0.403 188 G N 2.767 111.674 108.800 0.180 0.000 2.547 188 G HA2 0.448 4.547 3.960 0.124 0.000 0.327 188 G HA3 0.448 4.486 3.960 0.095 -0.022 0.327 188 G C -1.126 173.757 174.900 -0.029 0.000 1.118 188 G CA -1.131 44.027 45.100 0.096 0.000 1.022 188 G HN 0.491 8.927 8.290 0.244 0.000 0.464 189 V N 5.745 125.714 119.914 0.091 0.000 3.376 189 V HA 0.333 4.845 4.120 0.262 -0.235 0.303 189 V C 0.614 176.871 176.094 0.272 0.000 1.100 189 V CA -0.064 62.361 62.300 0.208 0.000 1.126 189 V CB 0.399 32.369 31.823 0.245 0.000 1.085 189 V HN 0.092 8.265 8.190 0.098 0.076 0.480 190 G N 1.197 110.228 108.800 0.386 0.000 2.818 190 G HA2 0.192 4.346 3.960 0.166 0.000 0.109 190 G HA3 0.192 4.504 3.960 0.587 0.000 0.109 190 G C -0.778 174.220 174.900 0.164 0.000 1.206 190 G CA 0.979 46.276 45.100 0.328 0.000 1.243 190 G HN -0.501 8.012 8.290 0.372 0.000 0.609 191 K N 1.366 121.792 120.400 0.043 0.000 2.166 191 K HA 0.110 4.450 4.320 0.032 0.000 0.201 191 K C 1.282 177.883 176.600 0.000 0.000 1.052 191 K CA 2.026 58.310 56.287 -0.005 0.000 0.969 191 K CB 0.480 32.939 32.500 -0.068 0.000 0.761 191 K HN 0.359 8.587 8.250 -0.038 0.000 0.459 192 V N -6.747 113.132 119.914 -0.059 0.000 3.041 192 V HA -0.077 4.043 4.120 0.001 0.000 0.260 192 V C -0.084 176.075 176.094 0.108 0.000 1.105 192 V CA 0.344 62.641 62.300 -0.005 0.000 1.125 192 V CB -0.560 31.208 31.823 -0.092 0.000 0.730 192 V HN -0.097 7.974 8.190 -0.197 0.000 0.479 193 G N -3.339 105.574 108.800 0.190 0.000 2.315 193 G HA2 -0.191 3.868 3.960 0.164 0.000 0.296 193 G HA3 -0.191 3.958 3.960 0.147 -0.100 0.296 193 G C -1.648 173.418 174.900 0.276 0.000 1.289 193 G CA -0.768 44.448 45.100 0.194 0.000 0.996 193 G HN -0.653 7.728 8.290 0.223 0.042 0.487 194 G N 0.110 109.028 108.800 0.197 0.000 2.444 194 G HA2 -0.003 4.077 3.960 0.199 0.000 0.303 194 G HA3 -0.003 4.427 3.960 0.139 -0.387 0.303 194 G C -1.064 173.943 174.900 0.178 0.000 1.032 194 G CA -0.780 44.429 45.100 0.181 0.000 1.137 194 G HN -0.251 8.123 8.290 0.141 0.000 0.430 195 H N 8.098 127.229 119.070 0.102 0.000 2.899 195 H HA -0.227 4.401 4.556 0.119 0.000 0.303 195 H C -1.548 173.808 175.328 0.047 0.000 1.042 195 H CA 0.268 56.363 56.048 0.079 0.000 1.479 195 H CB 0.607 30.325 29.762 -0.074 0.000 1.493 195 H HN -0.555 7.879 8.280 0.257 0.000 0.534 196 A N 5.837 128.472 122.820 -0.309 0.000 2.322 196 A HA 0.801 4.936 4.320 -0.449 -0.084 0.327 196 A C -2.348 175.100 177.584 -0.227 0.000 1.134 196 A CA -1.955 49.856 52.037 -0.376 0.000 0.831 196 A CB 3.387 22.139 19.000 -0.414 0.000 1.288 196 A HN -0.387 7.507 8.150 -0.426 0.000 0.472 197 F N -6.897 112.890 119.950 -0.272 0.000 2.831 197 F HA 0.556 5.033 4.527 -0.181 -0.059 0.318 197 F C -3.070 172.565 175.800 -0.274 0.000 1.174 197 F CA -1.714 56.156 58.000 -0.217 0.000 0.918 197 F CB 2.217 41.089 39.000 -0.213 0.000 1.364 197 F HN 0.931 8.470 8.300 -1.060 0.124 0.475 198 V N -0.892 119.063 119.914 0.069 0.000 2.604 198 V HA 0.786 4.997 4.120 -0.212 -0.219 0.305 198 V C -0.651 175.467 176.094 0.040 0.000 1.043 198 V CA -2.400 59.860 62.300 -0.067 0.000 0.888 198 V CB 2.913 34.666 31.823 -0.117 0.000 0.995 198 V HN 0.078 8.237 8.190 0.142 0.116 0.429 199 I N 7.049 127.613 120.570 -0.011 0.000 2.315 199 I HA 0.453 4.874 4.170 0.033 -0.231 0.291 199 I C -0.493 175.604 176.117 -0.034 0.000 1.006 199 I CA -0.519 60.792 61.300 0.018 0.000 1.265 199 I CB 0.985 38.992 38.000 0.013 0.000 1.387 199 I HN 0.656 8.703 8.210 -0.091 0.109 0.475 200 D N 4.520 124.926 120.400 0.010 0.000 2.740 200 D HA 0.282 4.830 4.640 -0.154 0.000 0.301 200 D C -1.186 175.116 176.300 0.003 0.000 1.408 200 D CA -1.350 52.604 54.000 -0.076 0.000 0.808 200 D CB 0.686 41.392 40.800 -0.156 0.000 1.128 200 D HN 1.007 9.311 8.370 0.083 0.116 0.465 201 G N -2.796 106.079 108.800 0.124 0.000 2.523 201 G HA2 0.373 4.520 3.960 0.071 0.000 0.291 201 G HA3 0.373 4.468 3.960 0.215 -0.006 0.291 201 G C -2.546 172.443 174.900 0.148 0.000 1.450 201 G CA 0.132 45.323 45.100 0.151 0.000 0.790 201 G HN -0.746 7.650 8.290 0.177 0.000 0.496 202 A N -2.615 120.211 122.820 0.009 0.000 2.574 202 A HA 0.650 4.719 4.320 -0.683 -0.159 0.297 202 A C -2.417 175.046 177.584 -0.202 0.000 1.062 202 A CA -0.407 51.429 52.037 -0.334 0.000 0.686 202 A CB 3.729 22.508 19.000 -0.369 0.000 1.285 202 A HN 0.665 8.746 8.150 0.055 0.102 0.403 203 D N 2.579 122.810 120.400 -0.281 0.000 2.571 203 D HA 0.201 4.765 4.640 -0.126 0.000 0.239 203 D C 0.430 176.610 176.300 -0.199 0.000 1.267 203 D CA -1.714 52.185 54.000 -0.168 0.000 0.823 203 D CB 1.291 42.041 40.800 -0.084 0.000 1.056 203 D HN 0.409 8.499 8.370 -0.467 0.000 0.494 204 G N -2.128 106.526 108.800 -0.244 0.000 2.380 204 G HA2 -0.378 3.523 3.960 -0.195 0.000 0.298 204 G HA3 -0.378 3.478 3.960 -0.145 0.018 0.298 204 G C -0.174 174.587 174.900 -0.232 0.000 0.989 204 G CA 1.396 46.377 45.100 -0.199 0.000 0.836 204 G HN -0.025 8.030 8.290 -0.291 0.061 0.511 205 R N -2.043 118.242 120.500 -0.359 0.000 2.563 205 R HA 0.108 4.228 4.340 -0.367 0.000 0.443 205 R C -1.374 174.334 176.300 -0.986 0.000 0.956 205 R CA -1.519 54.267 56.100 -0.523 0.000 1.141 205 R CB 0.973 31.029 30.300 -0.407 0.000 1.553 205 R HN -0.761 7.268 8.270 -0.398 0.002 0.577 206 N N -2.917 115.391 118.700 -0.654 0.000 2.937 206 N HA -0.325 4.354 4.740 -0.102 0.000 0.248 206 N C -1.923 173.342 175.510 -0.408 0.000 1.069 206 N CA 1.523 54.289 53.050 -0.473 0.000 0.822 206 N CB -0.351 37.837 38.487 -0.497 0.000 1.122 206 N HN 0.332 8.855 8.380 -0.459 -0.418 0.554 207 F N -3.240 116.653 119.950 -0.095 0.000 2.493 207 F HA 0.223 4.828 4.527 0.129 0.000 0.329 207 F C -1.517 174.228 175.800 -0.091 0.000 1.126 207 F CA -2.273 55.720 58.000 -0.012 0.000 0.937 207 F CB 1.117 40.051 39.000 -0.110 0.000 1.146 207 F HN -0.891 7.060 8.300 -0.525 0.034 0.442 208 Y N -1.122 119.365 120.300 0.312 0.000 2.598 208 Y HA 0.278 5.032 4.550 0.271 -0.042 0.340 208 Y C -1.167 174.921 175.900 0.314 0.000 1.038 208 Y CA -1.757 56.496 58.100 0.255 0.000 1.100 208 Y CB 4.182 42.694 38.460 0.086 0.000 1.281 208 Y HN 0.160 8.832 8.280 0.654 0.000 0.488 209 H N 2.423 121.639 119.070 0.243 0.000 2.652 209 H HA 0.088 4.396 4.556 -0.413 0.000 0.298 209 H C -1.681 173.547 175.328 -0.167 0.000 1.076 209 H CA -0.053 55.892 56.048 -0.172 0.000 1.360 209 H CB 0.886 30.467 29.762 -0.300 0.000 1.421 209 H HN -0.076 8.394 8.280 0.410 0.056 0.464 210 V N 8.674 128.247 119.914 -0.570 0.000 2.581 210 V HA 0.500 4.688 4.120 -0.249 -0.218 0.303 210 V C -1.784 173.955 176.094 -0.593 0.000 1.041 210 V CA -2.313 59.670 62.300 -0.527 0.000 0.907 210 V CB 3.027 34.318 31.823 -0.888 0.000 0.994 210 V HN 0.927 8.566 8.190 -0.741 0.107 0.442 211 N N 4.734 123.250 118.700 -0.306 0.000 2.699 211 N HA 0.256 5.012 4.740 -0.203 -0.138 0.232 211 N C 0.035 175.509 175.510 -0.060 0.000 1.027 211 N CA -2.471 50.476 53.050 -0.171 0.000 0.920 211 N CB 0.081 38.526 38.487 -0.069 0.000 1.148 211 N HN 0.348 8.524 8.380 -0.130 0.126 0.509 212 W N 4.287 125.523 121.300 -0.107 0.000 2.026 212 W HA -0.283 4.355 4.660 -0.036 0.000 0.349 212 W C 0.966 177.473 176.519 -0.020 0.000 1.329 212 W CA 0.439 57.764 57.345 -0.034 0.000 1.423 212 W CB 0.596 30.060 29.460 0.006 0.000 1.324 212 W HN -0.042 8.042 8.180 -0.237 -0.045 0.671 213 G N -1.992 106.984 108.800 0.293 0.000 2.559 213 G HA2 -0.185 3.652 3.960 -0.205 0.000 0.216 213 G HA3 -0.185 3.424 3.960 -0.585 0.000 0.216 213 G C -1.755 172.891 174.900 -0.422 0.000 1.126 213 G CA 0.224 45.159 45.100 -0.274 0.000 0.778 213 G HN 0.347 8.976 8.290 0.566 0.000 0.543 214 W N -3.838 117.541 121.300 0.133 0.000 2.578 214 W HA 0.156 4.840 4.660 0.041 0.000 0.364 214 W C -0.838 175.734 176.519 0.088 0.000 1.144 214 W CA -1.365 56.027 57.345 0.079 0.000 1.242 214 W CB 1.855 31.355 29.460 0.066 0.000 1.382 214 W HN -0.893 7.456 8.180 0.402 0.073 0.625 215 G N -2.858 106.138 108.800 0.327 0.000 3.274 215 G HA2 0.164 4.271 3.960 0.244 0.000 0.250 215 G HA3 0.164 4.391 3.960 0.235 -0.126 0.250 215 G C -0.600 174.430 174.900 0.217 0.000 1.024 215 G CA -0.659 44.592 45.100 0.250 0.000 0.840 215 G HN -0.354 8.303 8.290 0.377 -0.141 0.522 216 G N -0.968 107.962 108.800 0.216 0.000 3.651 216 G HA2 0.310 4.328 3.960 0.097 0.000 0.267 216 G HA3 0.310 4.338 3.960 0.114 0.000 0.267 216 G C -0.449 174.497 174.900 0.076 0.000 1.009 216 G CA -0.908 44.267 45.100 0.123 0.000 0.866 216 G HN -0.155 8.259 8.290 0.294 0.052 0.488 217 V N 0.763 120.742 119.914 0.108 0.000 4.219 217 V HA 0.250 4.339 4.120 -0.052 0.000 0.275 217 V C -0.225 175.909 176.094 0.066 0.000 1.240 217 V CA -1.922 60.385 62.300 0.011 0.000 0.821 217 V CB 1.885 33.652 31.823 -0.094 0.000 1.250 217 V HN -0.583 7.734 8.190 0.213 0.000 0.428 218 S N 1.751 117.485 115.700 0.058 0.000 3.844 218 S HA -0.171 4.349 4.470 0.084 0.000 0.193 218 S C -1.598 173.088 174.600 0.142 0.000 1.255 218 S CA 0.693 58.955 58.200 0.104 0.000 1.028 218 S CB -1.311 61.945 63.200 0.092 0.000 1.436 218 S HN 0.185 8.482 8.310 -0.021 0.000 0.442 219 D N 1.455 121.912 120.400 0.095 0.000 2.295 219 D HA -0.053 4.509 4.640 -0.130 0.000 0.248 219 D C -0.391 175.808 176.300 -0.167 0.000 1.154 219 D CA 1.217 55.197 54.000 -0.033 0.000 0.857 219 D CB 0.970 41.808 40.800 0.064 0.000 1.117 219 D HN 0.007 8.358 8.370 0.098 0.078 0.468 220 G N 2.022 110.577 108.800 -0.410 0.000 2.441 220 G HA2 -0.034 3.430 3.960 -0.826 0.000 0.225 220 G HA3 -0.034 3.792 3.960 -0.223 0.000 0.225 220 G C -2.345 172.136 174.900 -0.698 0.000 1.200 220 G CA 0.481 45.243 45.100 -0.563 0.000 0.947 220 G HN -0.345 7.626 8.290 -0.532 0.000 0.484 221 F N 0.590 120.452 119.950 -0.147 0.000 2.471 221 F HA 0.673 5.375 4.527 -0.091 -0.230 0.365 221 F C 0.117 175.954 175.800 0.062 0.000 1.095 221 F CA 0.573 58.540 58.000 -0.055 0.000 1.174 221 F CB 0.116 39.103 39.000 -0.022 0.000 1.105 221 F HN -0.001 8.265 8.300 -0.057 0.000 0.535 222 F N 3.323 123.216 119.950 -0.094 0.000 2.814 222 F HA 0.423 4.907 4.527 -0.073 0.000 0.353 222 F C -1.880 173.894 175.800 -0.044 0.000 1.177 222 F CA -1.998 55.911 58.000 -0.152 0.000 1.036 222 F CB 4.786 43.515 39.000 -0.451 0.000 1.455 222 F HN 0.187 8.572 8.300 0.142 0.000 0.520 223 R N -2.347 118.144 120.500 -0.015 0.000 2.782 223 R HA 0.352 4.775 4.340 0.138 0.000 0.258 223 R C -0.696 175.564 176.300 -0.066 0.000 1.055 223 R CA -0.744 55.373 56.100 0.029 0.000 1.065 223 R CB 2.435 32.745 30.300 0.016 0.000 1.172 223 R HN 0.419 8.626 8.270 -0.106 0.000 0.510 224 L N -2.540 118.642 121.223 -0.069 0.000 2.693 224 L HA 0.215 4.389 4.340 -0.277 0.000 0.235 224 L C 0.354 177.274 176.870 0.084 0.000 1.127 224 L CA -0.240 54.537 54.840 -0.106 0.000 0.914 224 L CB -0.432 41.556 42.059 -0.117 0.000 1.193 224 L HN 0.421 8.642 8.230 -0.015 0.000 0.502 225 D N -0.407 120.037 120.400 0.073 0.000 2.324 225 D HA -0.084 4.589 4.640 0.055 0.000 0.212 225 D C -0.456 175.882 176.300 0.063 0.000 0.984 225 D CA 1.758 55.799 54.000 0.068 0.000 0.885 225 D CB 0.758 41.596 40.800 0.063 0.000 0.996 225 D HN -0.050 8.296 8.370 0.052 0.056 0.505 226 A N 0.165 123.031 122.820 0.075 0.000 2.664 226 A HA 0.283 4.660 4.320 0.095 0.000 0.338 226 A C -1.324 176.374 177.584 0.191 0.000 1.280 226 A CA -0.905 51.195 52.037 0.105 0.000 0.809 226 A CB 0.357 19.404 19.000 0.079 0.000 1.114 226 A HN -0.358 7.830 8.150 0.063 0.000 0.479 227 L N 4.143 125.493 121.223 0.213 0.000 2.328 227 L HA 0.079 4.691 4.340 0.453 0.000 0.280 227 L C -0.740 176.315 176.870 0.308 0.000 1.111 227 L CA -0.817 54.246 54.840 0.372 0.000 0.909 227 L CB -1.878 40.431 42.059 0.418 0.000 1.277 227 L HN 0.161 8.492 8.230 0.169 0.000 0.433 228 N N 4.431 123.330 118.700 0.330 0.000 2.443 228 N HA 0.280 5.014 4.740 -0.011 0.000 0.269 228 N C -2.359 172.985 175.510 -0.277 0.000 0.985 228 N CA -2.913 50.172 53.050 0.059 0.000 0.921 228 N CB 0.578 39.142 38.487 0.129 0.000 1.195 228 N HN -0.586 8.129 8.380 0.558 0.000 0.492 229 P HA 0.236 3.652 4.420 -1.674 0.000 0.277 229 P C -0.894 176.124 177.300 -0.471 0.000 1.240 229 P CA -0.563 61.997 63.100 -0.899 0.000 0.798 229 P CB 0.905 32.122 31.700 -0.805 0.000 0.979 230 S N 0.417 115.825 115.700 -0.486 0.000 2.468 230 S HA -0.074 4.272 4.470 -0.208 0.000 0.226 230 S C 0.971 175.405 174.600 -0.278 0.000 1.051 230 S CA 0.942 58.964 58.200 -0.296 0.000 0.943 230 S CB 0.095 63.129 63.200 -0.277 0.000 0.810 230 S HN 0.015 7.927 8.310 -0.663 0.000 0.509 231 A N 2.722 125.328 122.820 -0.357 0.000 3.056 231 A HA 0.163 4.276 4.320 -0.345 0.000 0.274 231 A C -0.767 176.772 177.584 -0.075 0.000 1.661 231 A CA -0.114 51.700 52.037 -0.373 0.000 1.363 231 A CB -1.453 16.923 19.000 -1.039 0.000 1.139 231 A HN 0.135 8.045 8.150 -0.400 0.000 0.598 232 L N 2.307 123.480 121.223 -0.084 0.000 2.408 232 L HA 0.114 4.462 4.340 0.013 0.000 0.215 232 L C 0.099 176.944 176.870 -0.042 0.000 1.081 232 L CA -0.616 54.198 54.840 -0.043 0.000 0.840 232 L CB 1.395 43.405 42.059 -0.081 0.000 1.002 232 L HN -0.428 7.683 8.230 -0.125 0.044 0.468 233 G N -1.906 106.862 108.800 -0.054 0.000 2.825 233 G HA2 -0.369 3.567 3.960 -0.041 0.000 0.684 233 G HA3 -0.369 3.584 3.960 -0.012 0.000 0.684 233 G C -1.254 173.623 174.900 -0.037 0.000 1.528 233 G CA -0.284 44.794 45.100 -0.035 0.000 0.963 233 G HN -0.322 7.920 8.290 -0.079 0.000 0.577 234 T N 2.303 116.844 114.554 -0.022 0.000 3.264 234 T HA 0.155 4.483 4.350 -0.037 0.000 0.257 234 T C 0.198 174.894 174.700 -0.007 0.000 0.976 234 T CA 0.306 62.393 62.100 -0.022 0.000 0.908 234 T CB -0.068 68.791 68.868 -0.015 0.000 1.082 234 T HN 0.185 8.417 8.240 -0.012 0.000 0.567 235 G N 1.698 110.497 108.800 -0.001 0.000 2.601 235 G HA2 0.212 4.189 3.960 0.029 0.000 0.214 235 G HA3 0.212 4.199 3.960 0.045 0.000 0.214 235 G C 0.310 175.212 174.900 0.004 0.000 2.067 235 G CA -0.395 44.719 45.100 0.022 0.000 0.774 235 G HN -0.298 7.895 8.290 -0.009 0.091 0.729 236 G N 0.280 109.084 108.800 0.007 0.000 2.848 236 G HA2 -0.010 3.947 3.960 -0.004 0.000 0.208 236 G HA3 -0.010 3.957 3.960 0.011 0.000 0.208 236 G C -0.337 174.515 174.900 -0.081 0.000 1.152 236 G CA -0.317 44.776 45.100 -0.012 0.000 0.789 236 G HN 0.111 8.415 8.290 0.023 0.000 0.531 237 G N -0.989 107.748 108.800 -0.105 0.000 2.339 237 G HA2 0.132 3.898 3.960 -0.324 0.000 0.287 237 G HA3 0.132 3.972 3.960 -0.200 0.000 0.287 237 G C -1.630 173.158 174.900 -0.187 0.000 1.163 237 G CA -0.779 44.193 45.100 -0.213 0.000 0.872 237 G HN -0.553 7.600 8.290 -0.066 0.097 0.464 238 A N 4.241 126.913 122.820 -0.247 0.000 2.294 238 A HA 0.369 4.627 4.320 -0.104 0.000 0.330 238 A C 0.221 177.728 177.584 -0.129 0.000 1.133 238 A CA -1.209 50.737 52.037 -0.151 0.000 0.836 238 A CB 2.040 20.963 19.000 -0.128 0.000 1.190 238 A HN -0.021 7.901 8.150 -0.380 0.000 0.492 239 G N 0.127 108.886 108.800 -0.067 0.000 2.877 239 G HA2 -0.169 3.773 3.960 -0.031 0.000 0.211 239 G HA3 -0.169 3.780 3.960 -0.019 0.000 0.211 239 G C 0.156 175.055 174.900 -0.001 0.000 1.367 239 G CA 0.478 45.560 45.100 -0.031 0.000 0.807 239 G HN 0.194 8.451 8.290 -0.056 0.000 0.666 240 G N -0.717 108.091 108.800 0.013 0.000 2.225 240 G HA2 -0.119 3.884 3.960 0.072 0.000 0.245 240 G HA3 -0.119 3.863 3.960 0.038 0.000 0.245 240 G C -1.216 173.757 174.900 0.123 0.000 1.249 240 G CA -0.651 44.483 45.100 0.057 0.000 0.919 240 G HN -0.270 8.019 8.290 -0.000 0.000 0.486 241 F N 2.939 122.878 119.950 -0.019 0.000 2.879 241 F HA 0.250 4.767 4.527 -0.017 0.000 0.354 241 F C -1.566 174.241 175.800 0.010 0.000 1.291 241 F CA -2.492 55.499 58.000 -0.014 0.000 1.238 241 F CB 0.609 39.588 39.000 -0.036 0.000 1.005 241 F HN -0.139 8.302 8.300 0.235 0.000 0.508 242 N N 0.666 119.498 118.700 0.221 0.000 2.752 242 N HA 0.159 5.029 4.740 0.057 -0.095 0.260 242 N C -0.834 174.666 175.510 -0.017 0.000 1.562 242 N CA -0.760 52.335 53.050 0.075 0.000 0.788 242 N CB 0.757 39.266 38.487 0.036 0.000 1.192 242 N HN -0.531 7.896 8.380 0.174 0.057 0.503 243 G N 0.656 109.438 108.800 -0.030 0.000 2.473 243 G HA2 -0.080 3.662 3.960 -0.363 0.000 0.212 243 G HA3 -0.080 3.713 3.960 -0.279 0.000 0.212 243 G C -1.284 173.247 174.900 -0.616 0.000 1.211 243 G CA 1.066 45.969 45.100 -0.330 0.000 0.813 243 G HN 0.261 8.563 8.290 0.108 0.052 0.541 244 Y N -0.511 119.826 120.300 0.062 0.000 2.333 244 Y HA 0.138 4.691 4.550 0.005 0.000 0.324 244 Y C -1.710 174.191 175.900 0.003 0.000 1.033 244 Y CA -1.554 56.560 58.100 0.024 0.000 1.224 244 Y CB 0.480 38.958 38.460 0.030 0.000 1.120 244 Y HN -0.348 7.832 8.280 0.050 0.130 0.457 245 Q N 5.341 125.195 119.800 0.089 0.000 2.256 245 Q HA 0.452 4.944 4.340 0.037 -0.130 0.254 245 Q C -0.561 175.385 176.000 -0.090 0.000 0.916 245 Q CA 0.021 55.822 55.803 -0.002 0.000 0.932 245 Q CB 2.211 30.927 28.738 -0.037 0.000 1.207 245 Q HN 0.493 8.803 8.270 0.066 0.000 0.426 246 S N 2.080 117.696 115.700 -0.140 0.000 2.565 246 S HA 0.864 5.571 4.470 0.081 -0.189 0.269 246 S C -2.557 171.867 174.600 -0.293 0.000 1.153 246 S CA -0.960 57.201 58.200 -0.066 0.000 0.835 246 S CB 3.737 66.956 63.200 0.033 0.000 1.122 246 S HN 0.746 8.952 8.310 -0.173 0.000 0.462 247 A N -1.441 121.264 122.820 -0.190 0.000 2.569 247 A HA 0.692 4.838 4.320 -0.397 -0.064 0.290 247 A C -2.914 174.581 177.584 -0.147 0.000 1.136 247 A CA -1.507 50.302 52.037 -0.379 0.000 0.710 247 A CB 3.748 22.319 19.000 -0.715 0.000 1.303 247 A HN 1.177 9.231 8.150 0.067 0.136 0.413 248 V N 0.207 120.119 119.914 -0.003 0.000 2.350 248 V HA 0.756 4.919 4.120 -0.257 -0.198 0.285 248 V C -1.279 174.654 176.094 -0.269 0.000 1.014 248 V CA -0.645 61.562 62.300 -0.154 0.000 0.831 248 V CB 2.050 33.778 31.823 -0.158 0.000 1.000 248 V HN 0.955 9.097 8.190 0.140 0.132 0.433 249 V N 1.805 121.409 119.914 -0.517 0.000 2.667 249 V HA 0.553 4.506 4.120 -0.278 0.000 0.308 249 V C -0.175 175.693 176.094 -0.375 0.000 1.048 249 V CA -3.502 58.527 62.300 -0.451 0.000 0.928 249 V CB 1.902 33.426 31.823 -0.497 0.000 1.004 249 V HN 0.521 8.265 8.190 -0.744 0.000 0.444 250 G N 2.969 111.711 108.800 -0.096 0.000 2.392 250 G HA2 -0.296 3.866 3.960 0.062 0.000 0.215 250 G HA3 -0.296 3.801 3.960 0.229 0.000 0.215 250 G C -0.814 174.108 174.900 0.036 0.000 1.097 250 G CA 0.042 45.181 45.100 0.066 0.000 0.840 250 G HN 0.069 8.570 8.290 -0.097 -0.269 0.492 251 I N 0.780 121.360 120.570 0.016 0.000 2.310 251 I HA -0.000 4.207 4.170 0.063 0.000 0.287 251 I C -2.202 173.958 176.117 0.071 0.000 1.073 251 I CA -0.323 61.007 61.300 0.050 0.000 1.216 251 I CB -0.456 37.512 38.000 -0.054 0.000 1.415 251 I HN -0.826 7.522 8.210 0.013 -0.130 0.480 252 K N 3.674 124.094 120.400 0.033 0.000 2.578 252 K HA 0.387 4.287 4.320 -0.701 0.000 0.269 252 K C -2.970 173.397 176.600 -0.388 0.000 0.941 252 K CA -2.871 53.186 56.287 -0.383 0.000 0.847 252 K CB 1.291 33.526 32.500 -0.442 0.000 1.397 252 K HN -0.635 7.679 8.250 0.107 0.000 0.422 253 P HA 0.000 3.788 4.420 -1.053 0.000 0.216 253 P CA 0.000 62.543 63.100 -0.928 0.000 0.800 253 P CB 0.000 30.861 31.700 -1.398 0.000 0.726