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 2rmk_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQAIKCVVVG DGAVGKTCLL ISYTTNAFPG EYIPTVFDNY SANVMVDGKP DATA SEQUENCE VNLGLWDTAG LEDYDRLRPL SYPQTDVFLI CFSLVSPASF ENVRAKWYPE DATA SEQUENCE VRHHCPNTPI ILVGTKLDLR DDKDTIEKLK EKKLTPITYP QGLAMAKEIG DATA SEQUENCE AVKYLECSAL TQRGLKTVFD EAIRAVLCPP PVKKRKRKCL LL 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 M HA 0.000 4.484 4.480 0.007 0.000 0.227 1 M C 0.000 176.309 176.300 0.014 0.000 1.140 1 M CA 0.000 55.306 55.300 0.009 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 Q N 6.768 126.576 119.800 0.014 0.000 2.318 2 Q HA -0.136 4.216 4.340 0.020 0.000 0.270 2 Q C -1.745 174.269 176.000 0.023 0.000 1.237 2 Q CA 0.050 55.864 55.803 0.018 0.000 0.937 2 Q CB 0.208 28.956 28.738 0.016 0.000 1.375 2 Q HN 0.524 8.801 8.270 0.011 0.000 0.452 3 A N 7.209 130.049 122.820 0.033 0.000 2.249 3 A HA 0.620 5.132 4.320 0.038 -0.169 0.314 3 A C -1.289 176.335 177.584 0.065 0.000 1.290 3 A CA -1.029 51.037 52.037 0.048 0.000 0.893 3 A CB 1.317 20.354 19.000 0.060 0.000 1.165 3 A HN -0.030 8.140 8.150 0.033 0.000 0.530 4 I N 3.403 124.016 120.570 0.072 0.000 2.474 4 I HA 0.195 4.414 4.170 0.082 0.000 0.294 4 I C -1.338 174.870 176.117 0.152 0.000 1.005 4 I CA -2.199 59.154 61.300 0.088 0.000 1.113 4 I CB 2.831 40.868 38.000 0.061 0.000 1.289 4 I HN 0.377 8.621 8.210 0.057 0.000 0.436 5 K N 6.104 126.616 120.400 0.185 0.000 2.267 5 K HA 0.124 4.762 4.320 0.529 0.000 0.282 5 K C -1.713 175.050 176.600 0.272 0.000 1.078 5 K CA -0.218 56.265 56.287 0.327 0.000 0.903 5 K CB 0.152 32.785 32.500 0.222 0.000 1.111 5 K HN 0.341 8.993 8.250 0.131 -0.323 0.475 6 C N 6.426 125.923 119.300 0.328 0.000 2.319 6 C HA 0.763 5.557 4.460 0.190 -0.221 0.323 6 C C -2.067 173.130 174.990 0.346 0.000 1.277 6 C CA -2.389 56.777 59.018 0.248 0.000 1.517 6 C CB 2.145 29.990 27.740 0.175 0.000 2.206 6 C HN 0.067 8.514 8.230 0.362 0.000 0.486 7 V N 8.979 129.072 119.914 0.299 0.000 2.417 7 V HA 0.420 4.944 4.120 0.404 -0.162 0.291 7 V C -1.316 174.917 176.094 0.232 0.000 1.024 7 V CA -1.499 60.994 62.300 0.322 0.000 0.861 7 V CB 2.138 34.142 31.823 0.303 0.000 0.985 7 V HN -0.217 8.110 8.190 0.228 0.000 0.436 8 V N 8.709 128.747 119.914 0.207 0.000 2.383 8 V HA 0.063 4.249 4.120 0.111 0.000 0.275 8 V C -1.797 174.359 176.094 0.103 0.000 1.036 8 V CA -0.107 62.275 62.300 0.136 0.000 0.889 8 V CB 0.254 32.154 31.823 0.128 0.000 0.985 8 V HN -0.064 8.269 8.190 0.238 0.000 0.459 9 V N 6.472 126.406 119.914 0.033 0.000 3.007 9 V HA 0.424 4.561 4.120 0.029 0.000 0.311 9 V C -2.469 173.579 176.094 -0.077 0.000 1.120 9 V CA -2.680 59.594 62.300 -0.044 0.000 0.980 9 V CB 4.127 35.834 31.823 -0.194 0.000 1.033 9 V HN -0.305 7.902 8.190 0.028 0.000 0.429 10 G N 2.948 111.771 108.800 0.040 0.000 2.768 10 G HA2 0.115 4.220 3.960 0.131 0.000 0.297 10 G HA3 0.115 4.158 3.960 0.137 0.000 0.297 10 G C -1.997 173.095 174.900 0.320 0.000 1.430 10 G CA 0.002 45.196 45.100 0.157 0.000 1.030 10 G HN -0.149 8.196 8.290 0.092 0.000 0.553 11 D N 2.831 123.518 120.400 0.479 0.000 2.350 11 D HA -0.216 4.665 4.640 0.401 0.000 0.216 11 D C 0.890 177.328 176.300 0.230 0.000 0.968 11 D CA 1.123 55.360 54.000 0.393 0.000 0.894 11 D CB 0.458 41.481 40.800 0.373 0.000 0.909 11 D HN 0.113 8.817 8.370 0.556 0.000 0.520 12 G N -1.278 107.647 108.800 0.208 0.000 2.716 12 G HA2 -0.056 3.985 3.960 0.134 0.000 0.251 12 G HA3 -0.056 3.980 3.960 0.127 0.000 0.251 12 G C 0.019 174.983 174.900 0.107 0.000 1.224 12 G CA -0.837 44.348 45.100 0.141 0.000 0.891 12 G HN -0.526 7.847 8.290 0.238 0.059 0.561 13 A N -0.417 122.449 122.820 0.077 0.000 1.898 13 A HA -0.151 4.207 4.320 0.063 0.000 0.216 13 A C -0.802 176.814 177.584 0.054 0.000 1.181 13 A CA 1.833 53.906 52.037 0.060 0.000 0.620 13 A CB 0.120 19.148 19.000 0.047 0.000 0.819 13 A HN 0.462 8.656 8.150 0.073 0.000 0.442 14 V N -9.635 110.306 119.914 0.044 0.000 3.112 14 V HA 0.116 4.259 4.120 0.039 0.000 0.310 14 V C -0.880 175.222 176.094 0.014 0.000 1.364 14 V CA -1.614 60.704 62.300 0.031 0.000 1.058 14 V CB 3.369 35.206 31.823 0.023 0.000 1.079 14 V HN -0.568 7.648 8.190 0.043 0.000 0.463 15 G N -1.756 107.040 108.800 -0.007 0.000 2.192 15 G HA2 -0.181 3.729 3.960 -0.082 0.000 0.193 15 G HA3 -0.181 3.757 3.960 -0.036 0.000 0.193 15 G C 0.425 175.321 174.900 -0.007 0.000 0.999 15 G CA 0.343 45.422 45.100 -0.036 0.000 0.659 15 G HN 0.363 8.652 8.290 -0.003 0.000 0.503 16 K N 0.827 121.241 120.400 0.024 0.000 2.031 16 K HA -0.240 4.110 4.320 0.051 0.000 0.205 16 K C 0.865 177.504 176.600 0.065 0.000 1.049 16 K CA 2.898 59.215 56.287 0.050 0.000 0.939 16 K CB -0.362 32.174 32.500 0.060 0.000 0.717 16 K HN 0.029 8.242 8.250 0.026 0.053 0.438 17 T N 0.238 114.825 114.554 0.054 0.000 2.978 17 T HA -0.113 4.299 4.350 0.104 0.000 0.262 17 T C 1.469 176.216 174.700 0.078 0.000 1.063 17 T CA 3.343 65.488 62.100 0.074 0.000 1.140 17 T CB -0.547 68.351 68.868 0.050 0.000 0.886 17 T HN -0.143 8.120 8.240 0.038 0.000 0.470 18 C N 1.330 120.643 119.300 0.021 0.000 2.413 18 C HA -0.335 4.149 4.460 0.040 0.000 0.277 18 C C 1.259 176.260 174.990 0.019 0.000 1.265 18 C CA 3.323 62.322 59.018 -0.031 0.000 1.752 18 C CB -0.468 27.124 27.740 -0.247 0.000 1.998 18 C HN 0.290 8.519 8.230 -0.001 0.000 0.489 19 L N 0.351 121.597 121.223 0.038 0.000 2.017 19 L HA -0.287 4.091 4.340 0.064 0.000 0.208 19 L C 1.896 178.912 176.870 0.243 0.000 1.073 19 L CA 3.377 58.277 54.840 0.099 0.000 0.745 19 L CB -0.452 41.645 42.059 0.063 0.000 0.894 19 L HN -0.785 7.442 8.230 0.021 0.015 0.432 20 L N -2.165 119.204 121.223 0.243 0.000 2.027 20 L HA -0.380 4.159 4.340 0.331 0.000 0.206 20 L C 2.769 179.774 176.870 0.224 0.000 1.074 20 L CA 2.985 57.977 54.840 0.254 0.000 0.745 20 L CB -0.203 41.984 42.059 0.213 0.000 0.898 20 L HN -0.937 7.405 8.230 0.187 0.000 0.433 21 I N -1.046 119.667 120.570 0.238 0.000 2.286 21 I HA -0.381 3.965 4.170 0.292 0.000 0.248 21 I C 2.338 178.577 176.117 0.203 0.000 1.115 21 I CA 2.131 63.573 61.300 0.236 0.000 1.392 21 I CB -0.566 37.555 38.000 0.202 0.000 1.065 21 I HN 0.156 8.493 8.210 0.212 0.000 0.418 22 S N 0.482 116.318 115.700 0.227 0.000 2.382 22 S HA -0.377 4.241 4.470 0.246 0.000 0.228 22 S C 1.437 176.155 174.600 0.197 0.000 1.027 22 S CA 3.746 62.087 58.200 0.234 0.000 0.991 22 S CB -0.169 63.174 63.200 0.237 0.000 0.823 22 S HN -0.133 8.292 8.310 0.217 0.015 0.469 23 Y N -1.125 119.226 120.300 0.085 0.000 2.395 23 Y HA -0.056 4.527 4.550 0.055 0.000 0.293 23 Y C 1.133 176.983 175.900 -0.084 0.000 1.123 23 Y CA 2.357 60.465 58.100 0.014 0.000 1.227 23 Y CB 0.301 38.757 38.460 -0.007 0.000 1.012 23 Y HN -0.741 7.730 8.280 0.338 0.011 0.552 24 T N -0.342 114.137 114.554 -0.124 0.000 3.051 24 T HA -0.033 4.065 4.350 -0.420 0.000 0.255 24 T C 1.102 175.731 174.700 -0.119 0.000 1.085 24 T CA 2.294 64.265 62.100 -0.215 0.000 1.109 24 T CB 0.617 69.403 68.868 -0.137 0.000 0.921 24 T HN -0.362 7.782 8.240 0.053 0.128 0.488 25 T N -3.011 111.526 114.554 -0.028 0.000 3.003 25 T HA 0.147 4.476 4.350 -0.035 0.000 0.261 25 T C 0.203 174.892 174.700 -0.019 0.000 1.003 25 T CA -0.504 61.590 62.100 -0.010 0.000 0.917 25 T CB 1.861 70.754 68.868 0.041 0.000 1.084 25 T HN -0.053 8.104 8.240 0.017 0.093 0.522 26 N N -1.640 117.051 118.700 -0.015 0.000 2.900 26 N HA -0.427 4.432 4.740 0.016 -0.109 0.240 26 N C -1.702 173.830 175.510 0.037 0.000 0.953 26 N CA 1.614 54.664 53.050 0.001 0.000 0.950 26 N CB -1.514 36.952 38.487 -0.036 0.000 1.102 26 N HN -0.027 8.262 8.380 -0.021 0.078 0.593 27 A N -3.432 119.420 122.820 0.054 0.000 2.521 27 A HA 0.101 4.461 4.320 0.066 0.000 0.298 27 A C -1.805 175.799 177.584 0.034 0.000 1.044 27 A CA -0.397 51.650 52.037 0.016 0.000 0.911 27 A CB 1.481 20.435 19.000 -0.078 0.000 1.376 27 A HN -0.817 7.263 8.150 0.060 0.107 0.392 28 F N 3.534 123.503 119.950 0.031 0.000 2.502 28 F HA 0.281 4.830 4.527 0.036 0.000 0.371 28 F C -0.647 175.168 175.800 0.025 0.000 1.083 28 F CA -3.069 54.952 58.000 0.034 0.000 1.174 28 F CB -0.189 38.837 39.000 0.044 0.000 1.096 28 F HN 0.247 8.751 8.300 0.341 0.000 0.545 29 P HA -0.034 4.317 4.420 -0.115 0.000 0.229 29 P C -0.485 176.838 177.300 0.037 0.000 1.160 29 P CA 0.122 63.202 63.100 -0.033 0.000 0.777 29 P CB 0.284 31.983 31.700 -0.001 0.000 0.814 30 G N -0.231 108.682 108.800 0.188 0.000 3.050 30 G HA2 -0.321 3.872 3.960 0.388 0.000 0.234 30 G HA3 -0.321 3.746 3.960 0.178 0.000 0.234 30 G C -1.309 173.685 174.900 0.157 0.000 1.521 30 G CA -0.508 44.734 45.100 0.236 0.000 1.090 30 G HN -0.266 8.133 8.290 0.264 0.049 0.556 31 E N -0.454 119.816 120.200 0.117 0.000 7.535 31 E HA -0.255 4.075 4.350 -0.033 0.000 0.448 31 E C -0.512 176.121 176.600 0.055 0.000 0.360 31 E CA 0.201 56.611 56.400 0.016 0.000 0.661 31 E CB 0.134 29.807 29.700 -0.045 0.000 0.961 31 E HN 0.123 8.564 8.360 0.135 0.000 0.270 32 Y N 0.621 120.941 120.300 0.032 0.000 2.467 32 Y HA 0.108 4.674 4.550 0.026 0.000 0.250 32 Y C -1.025 174.881 175.900 0.009 0.000 1.155 32 Y CA -1.115 56.999 58.100 0.023 0.000 1.249 32 Y CB 0.278 38.752 38.460 0.023 0.000 1.146 32 Y HN -0.122 7.872 8.280 -0.477 0.000 0.524 33 I N 2.158 122.487 120.570 -0.402 0.000 2.845 33 I HA -0.168 3.853 4.170 -0.248 0.000 0.296 33 I C -1.229 174.822 176.117 -0.110 0.000 1.216 33 I CA -1.993 59.147 61.300 -0.267 0.000 1.438 33 I CB -0.364 37.473 38.000 -0.271 0.000 1.342 33 I HN -0.492 7.324 8.210 -0.564 0.056 0.577 34 P HA 0.026 4.400 4.420 -0.077 0.000 0.271 34 P C -1.588 175.621 177.300 -0.151 0.000 1.244 34 P CA -0.500 62.538 63.100 -0.103 0.000 0.793 34 P CB 0.700 32.333 31.700 -0.111 0.000 0.984 35 T N 0.797 115.238 114.554 -0.187 0.000 2.795 35 T HA 0.094 4.352 4.350 -0.153 0.000 0.282 35 T C -0.482 174.037 174.700 -0.301 0.000 0.980 35 T CA -0.111 61.878 62.100 -0.185 0.000 1.012 35 T CB 1.162 69.971 68.868 -0.097 0.000 0.936 35 T HN -0.129 7.992 8.240 -0.198 0.000 0.457 36 V N 4.323 124.041 119.914 -0.326 0.000 3.165 36 V HA 0.105 4.072 4.120 -0.255 0.000 0.231 36 V C -0.151 175.819 176.094 -0.207 0.000 1.365 36 V CA -0.614 61.486 62.300 -0.334 0.000 1.286 36 V CB 1.597 33.147 31.823 -0.456 0.000 1.081 36 V HN 0.257 8.246 8.190 -0.334 0.000 0.477 37 F N -1.187 118.789 119.950 0.044 0.000 2.331 37 F HA -0.057 4.525 4.527 0.092 0.000 0.293 37 F C -0.405 175.475 175.800 0.134 0.000 1.277 37 F CA 0.274 58.320 58.000 0.077 0.000 1.204 37 F CB 0.648 39.672 39.000 0.040 0.000 1.374 37 F HN -0.309 7.651 8.300 -0.567 0.000 0.520 38 D N -3.198 117.463 120.400 0.435 0.000 2.119 38 D HA -0.061 4.869 4.640 0.483 0.000 0.311 38 D C -1.323 175.302 176.300 0.542 0.000 1.155 38 D CA 0.281 54.593 54.000 0.521 0.000 1.036 38 D CB 1.577 42.692 40.800 0.525 0.000 1.855 38 D HN -0.010 8.630 8.370 0.450 0.000 0.523 39 N N 0.600 119.567 118.700 0.446 0.000 2.332 39 N HA -0.196 4.783 4.740 0.399 0.000 0.274 39 N C -1.154 174.451 175.510 0.159 0.000 1.351 39 N CA 1.485 54.712 53.050 0.295 0.000 0.875 39 N CB -0.489 38.116 38.487 0.195 0.000 1.140 39 N HN -0.066 8.553 8.380 0.398 0.000 0.489 40 Y N 4.049 124.192 120.300 -0.261 0.000 2.266 40 Y HA 0.003 4.449 4.550 -0.173 0.000 0.321 40 Y C -2.209 173.446 175.900 -0.408 0.000 1.194 40 Y CA -1.131 56.804 58.100 -0.274 0.000 1.430 40 Y CB 0.804 39.138 38.460 -0.209 0.000 1.240 40 Y HN -0.369 7.720 8.280 -0.318 0.000 0.420 41 S N 4.853 120.319 115.700 -0.391 0.000 2.638 41 S HA 1.059 5.363 4.470 -0.518 -0.145 0.298 41 S C -1.380 172.962 174.600 -0.430 0.000 1.111 41 S CA -1.939 56.011 58.200 -0.416 0.000 1.027 41 S CB 3.324 66.396 63.200 -0.214 0.000 1.064 41 S HN -0.126 8.068 8.310 -0.193 0.000 0.525 42 A N -0.477 122.126 122.820 -0.361 0.000 2.515 42 A HA 0.237 4.396 4.320 -0.268 0.000 0.298 42 A C -2.701 174.786 177.584 -0.161 0.000 1.059 42 A CA -0.847 51.017 52.037 -0.288 0.000 0.698 42 A CB 3.085 21.876 19.000 -0.347 0.000 1.289 42 A HN 0.625 8.580 8.150 -0.325 0.000 0.404 43 N N 2.325 120.952 118.700 -0.122 0.000 2.499 43 N HA 0.256 5.100 4.740 -0.055 -0.138 0.281 43 N C -1.059 174.443 175.510 -0.012 0.000 1.098 43 N CA -0.233 52.778 53.050 -0.065 0.000 0.979 43 N CB 1.751 40.200 38.487 -0.064 0.000 1.121 43 N HN 0.142 8.434 8.380 -0.147 0.000 0.466 44 V N 5.737 125.667 119.914 0.027 0.000 2.876 44 V HA 0.385 4.602 4.120 0.162 0.000 0.312 44 V C -2.526 173.603 176.094 0.059 0.000 1.085 44 V CA -2.457 59.904 62.300 0.101 0.000 0.945 44 V CB 4.066 35.954 31.823 0.108 0.000 1.017 44 V HN 0.368 8.560 8.190 0.004 0.000 0.428 45 M N 7.635 127.278 119.600 0.072 0.000 2.066 45 M HA 0.267 4.764 4.480 0.028 0.000 0.340 45 M C -1.763 174.563 176.300 0.044 0.000 1.053 45 M CA -0.715 54.611 55.300 0.043 0.000 0.983 45 M CB 0.560 33.180 32.600 0.033 0.000 1.520 45 M HN 0.530 8.888 8.290 0.113 0.000 0.428 46 V N 8.399 128.330 119.914 0.029 0.000 2.376 46 V HA 0.457 4.741 4.120 0.026 -0.147 0.287 46 V C -0.803 175.300 176.094 0.015 0.000 1.015 46 V CA -1.321 60.993 62.300 0.023 0.000 0.834 46 V CB 1.032 32.867 31.823 0.020 0.000 1.001 46 V HN -0.107 8.098 8.190 0.024 0.000 0.428 47 D N 9.224 129.632 120.400 0.013 0.000 3.059 47 D HA -0.337 4.308 4.640 0.008 0.000 0.220 47 D C -0.510 175.795 176.300 0.008 0.000 1.169 47 D CA 1.336 55.341 54.000 0.009 0.000 0.902 47 D CB -0.601 40.203 40.800 0.007 0.000 1.116 47 D HN 1.011 9.390 8.370 0.015 0.000 0.417 48 G N -7.047 101.758 108.800 0.009 0.000 2.132 48 G HA2 -0.424 3.540 3.960 0.007 0.000 0.234 48 G HA3 -0.424 3.539 3.960 0.005 0.000 0.234 48 G C -0.893 174.011 174.900 0.006 0.000 0.989 48 G CA -0.153 44.951 45.100 0.007 0.000 0.676 48 G HN 0.227 8.471 8.290 0.013 0.053 0.522 49 K N 1.229 121.634 120.400 0.008 0.000 2.367 49 K HA 0.478 4.801 4.320 0.005 0.000 0.263 49 K C -2.369 174.236 176.600 0.008 0.000 1.000 49 K CA -3.304 52.987 56.287 0.007 0.000 0.891 49 K CB 1.338 33.843 32.500 0.008 0.000 1.117 49 K HN -0.344 7.741 8.250 0.010 0.171 0.443 50 P HA -0.062 4.360 4.420 0.004 0.000 0.263 50 P C -1.616 175.686 177.300 0.005 0.000 1.195 50 P CA 0.279 63.380 63.100 0.003 0.000 0.762 50 P CB 0.162 31.861 31.700 -0.002 0.000 0.799 51 V N 3.747 123.665 119.914 0.005 0.000 2.638 51 V HA 0.137 4.318 4.120 0.007 -0.057 0.306 51 V C -1.901 174.190 176.094 -0.004 0.000 1.052 51 V CA -1.321 60.983 62.300 0.006 0.000 0.885 51 V CB 3.963 35.794 31.823 0.013 0.000 0.999 51 V HN 0.163 8.357 8.190 0.006 0.000 0.424 52 N N 6.159 124.857 118.700 -0.003 0.000 2.470 52 N HA 0.005 4.725 4.740 -0.034 0.000 0.268 52 N C -2.156 173.341 175.510 -0.020 0.000 1.136 52 N CA 0.144 53.185 53.050 -0.016 0.000 0.961 52 N CB 1.368 39.855 38.487 0.000 0.000 1.067 52 N HN 0.413 8.679 8.380 0.005 0.117 0.468 53 L N 6.382 127.564 121.223 -0.069 0.000 2.313 53 L HA 0.446 4.764 4.340 -0.036 0.000 0.283 53 L C -1.501 175.262 176.870 -0.177 0.000 1.013 53 L CA -1.243 53.538 54.840 -0.098 0.000 0.816 53 L CB 3.675 45.640 42.059 -0.156 0.000 1.236 53 L HN 0.148 8.323 8.230 -0.092 0.000 0.419 54 G N 5.379 114.107 108.800 -0.120 0.000 2.377 54 G HA2 0.532 4.187 3.960 -0.507 0.000 0.316 54 G HA3 0.532 4.551 3.960 0.099 0.000 0.316 54 G C -1.903 172.545 174.900 -0.754 0.000 1.115 54 G CA -1.102 43.798 45.100 -0.334 0.000 0.952 54 G HN 0.607 8.898 8.290 0.001 0.000 0.441 55 L N 4.390 125.004 121.223 -1.015 0.000 2.257 55 L HA 0.278 4.390 4.340 -0.379 0.000 0.290 55 L C -0.397 176.014 176.870 -0.765 0.000 1.044 55 L CA -0.712 53.724 54.840 -0.674 0.000 0.810 55 L CB 0.534 42.332 42.059 -0.434 0.000 1.193 55 L HN 0.065 7.703 8.230 -0.986 0.000 0.425 56 W N 3.224 124.612 121.300 0.147 0.000 2.687 56 W HA 0.344 5.105 4.660 0.167 0.000 0.328 56 W C -1.732 174.872 176.519 0.142 0.000 1.012 56 W CA -1.604 55.831 57.345 0.150 0.000 1.262 56 W CB 1.882 31.422 29.460 0.132 0.000 1.331 56 W HN -0.237 7.963 8.180 0.032 0.000 0.433 57 D N 1.198 121.774 120.400 0.294 0.000 2.278 57 D HA 0.388 5.290 4.640 0.204 -0.140 0.245 57 D C -0.437 175.952 176.300 0.149 0.000 1.052 57 D CA -1.345 52.774 54.000 0.198 0.000 0.834 57 D CB 2.238 43.126 40.800 0.146 0.000 1.194 57 D HN -0.033 8.506 8.370 0.283 0.000 0.481 58 T N 3.189 117.814 114.554 0.117 0.000 2.856 58 T HA 0.091 4.466 4.350 0.043 0.000 0.292 58 T C -0.269 174.437 174.700 0.009 0.000 0.980 58 T CA -0.751 61.381 62.100 0.054 0.000 1.091 58 T CB 0.731 69.624 68.868 0.041 0.000 0.936 58 T HN -0.293 8.026 8.240 0.132 0.000 0.503 59 A N 6.738 129.519 122.820 -0.065 0.000 2.313 59 A HA 0.102 4.392 4.320 -0.050 0.000 0.261 59 A C 0.370 177.920 177.584 -0.056 0.000 1.090 59 A CA -0.158 51.823 52.037 -0.095 0.000 0.807 59 A CB 0.931 19.796 19.000 -0.227 0.000 1.055 59 A HN -0.047 8.039 8.150 -0.106 0.000 0.492 60 G N -0.099 108.684 108.800 -0.028 0.000 3.401 60 G HA2 0.021 3.998 3.960 0.029 0.000 0.251 60 G HA3 0.021 3.995 3.960 0.023 0.000 0.251 60 G C -1.138 173.766 174.900 0.007 0.000 0.960 60 G CA -0.238 44.867 45.100 0.009 0.000 1.900 60 G HN 0.348 8.619 8.290 -0.031 0.000 0.645 61 L N 1.811 123.031 121.223 -0.005 0.000 2.362 61 L HA 0.273 4.652 4.340 0.065 0.000 0.275 61 L C -0.342 176.594 176.870 0.110 0.000 0.998 61 L CA -0.841 54.035 54.840 0.060 0.000 0.820 61 L CB 1.657 43.755 42.059 0.064 0.000 1.270 61 L HN -0.536 7.588 8.230 -0.032 0.086 0.415 62 E N 2.566 122.825 120.200 0.098 0.000 2.122 62 E HA -0.171 4.215 4.350 0.060 0.000 0.190 62 E C 1.111 177.761 176.600 0.084 0.000 0.977 62 E CA 1.624 58.068 56.400 0.072 0.000 0.820 62 E CB 0.411 30.135 29.700 0.040 0.000 0.770 62 E HN 0.289 8.702 8.360 0.087 0.000 0.462 63 D N -1.153 119.309 120.400 0.103 0.000 2.221 63 D HA -0.241 4.397 4.640 -0.002 0.000 0.204 63 D C 1.187 177.478 176.300 -0.016 0.000 0.982 63 D CA 2.520 56.537 54.000 0.029 0.000 0.857 63 D CB 0.038 40.837 40.800 -0.001 0.000 0.934 63 D HN 0.215 8.660 8.370 0.124 0.000 0.475 64 Y N -2.134 118.155 120.300 -0.018 0.000 2.471 64 Y HA -0.159 4.378 4.550 -0.021 0.000 0.321 64 Y C -0.270 175.614 175.900 -0.027 0.000 1.195 64 Y CA -0.130 57.957 58.100 -0.022 0.000 1.272 64 Y CB -1.484 36.963 38.460 -0.021 0.000 1.097 64 Y HN -0.363 8.122 8.280 0.398 0.034 0.507 65 D N -0.538 119.901 120.400 0.065 0.000 2.123 65 D HA -0.355 4.298 4.640 0.022 0.000 0.196 65 D C 1.814 178.118 176.300 0.007 0.000 0.992 65 D CA 2.878 56.892 54.000 0.023 0.000 0.833 65 D CB -0.253 40.548 40.800 0.002 0.000 0.954 65 D HN -0.391 7.873 8.370 0.045 0.133 0.455 66 R N -0.662 119.833 120.500 -0.009 0.000 2.100 66 R HA 0.004 4.338 4.340 -0.010 0.000 0.220 66 R C 1.005 177.306 176.300 0.002 0.000 1.091 66 R CA 0.994 57.086 56.100 -0.015 0.000 0.986 66 R CB 0.061 30.340 30.300 -0.035 0.000 0.888 66 R HN -0.419 7.829 8.270 -0.025 0.007 0.444 67 L N -1.593 119.637 121.223 0.012 0.000 2.682 67 L HA -0.003 4.362 4.340 0.042 0.000 0.240 67 L C -0.857 176.091 176.870 0.130 0.000 1.178 67 L CA -1.212 53.670 54.840 0.070 0.000 0.970 67 L CB -1.291 40.811 42.059 0.071 0.000 1.179 67 L HN -0.174 7.981 8.230 -0.018 0.064 0.435 68 R N -0.961 119.583 120.500 0.074 0.000 2.756 68 R HA -0.062 4.335 4.340 0.059 -0.022 0.264 68 R C -1.864 174.457 176.300 0.035 0.000 1.026 68 R CA -1.434 54.688 56.100 0.037 0.000 1.121 68 R CB -1.230 29.048 30.300 -0.037 0.000 0.999 68 R HN -1.020 7.139 8.270 0.044 0.137 0.449 69 P HA -0.085 4.375 4.420 0.067 0.000 0.255 69 P C 0.529 177.840 177.300 0.018 0.000 1.173 69 P CA 0.219 63.353 63.100 0.056 0.000 0.780 69 P CB 0.235 32.008 31.700 0.121 0.000 0.758 70 L N 3.108 124.308 121.223 -0.038 0.000 2.191 70 L HA -0.342 3.982 4.340 -0.026 0.000 0.212 70 L C 1.886 178.668 176.870 -0.147 0.000 1.103 70 L CA 2.864 57.660 54.840 -0.073 0.000 0.769 70 L CB -0.191 41.817 42.059 -0.086 0.000 0.908 70 L HN 0.383 8.596 8.230 -0.028 0.000 0.438 71 S N -1.763 113.759 115.700 -0.297 0.000 2.387 71 S HA -0.332 3.873 4.470 -0.441 0.000 0.226 71 S C 1.182 175.682 174.600 -0.166 0.000 1.026 71 S CA 3.464 61.389 58.200 -0.458 0.000 0.972 71 S CB -0.116 62.375 63.200 -1.182 0.000 0.814 71 S HN -0.391 7.701 8.310 -0.301 0.038 0.477 72 Y N 3.063 123.274 120.300 -0.147 0.000 2.038 72 Y HA -0.376 4.159 4.550 -0.025 0.000 0.266 72 Y C -1.177 174.688 175.900 -0.059 0.000 1.220 72 Y CA 4.520 62.581 58.100 -0.065 0.000 1.107 72 Y CB -2.022 36.407 38.460 -0.050 0.000 0.932 72 Y HN -0.715 7.519 8.280 0.088 0.099 0.500 73 P HA -0.308 4.101 4.420 -0.018 0.000 0.215 73 P C 1.051 178.314 177.300 -0.062 0.000 1.157 73 P CA 2.330 65.427 63.100 -0.006 0.000 0.868 73 P CB -0.465 31.254 31.700 0.031 0.000 0.788 74 Q N -4.894 114.867 119.800 -0.064 0.000 2.297 74 Q HA -0.156 4.162 4.340 -0.036 0.000 0.204 74 Q C 0.536 176.505 176.000 -0.052 0.000 0.962 74 Q CA 0.307 56.076 55.803 -0.057 0.000 0.879 74 Q CB -0.473 28.223 28.738 -0.070 0.000 0.947 74 Q HN -0.602 7.626 8.270 -0.069 0.000 0.462 75 T N 3.337 117.844 114.554 -0.078 0.000 2.656 75 T HA -0.372 4.097 4.350 0.022 -0.106 0.258 75 T C 0.492 175.190 174.700 -0.003 0.000 1.020 75 T CA 2.858 64.939 62.100 -0.031 0.000 1.191 75 T CB -0.267 68.553 68.868 -0.080 0.000 1.004 75 T HN -0.051 7.967 8.240 -0.112 0.154 0.498 76 D N 6.578 126.997 120.400 0.032 0.000 2.178 76 D HA -0.149 4.498 4.640 0.012 0.000 0.201 76 D C -0.439 175.864 176.300 0.005 0.000 0.980 76 D CA 3.033 57.046 54.000 0.022 0.000 0.842 76 D CB 0.563 41.384 40.800 0.035 0.000 0.948 76 D HN 0.244 8.650 8.370 0.061 0.000 0.472 77 V N -4.044 115.877 119.914 0.012 0.000 2.882 77 V HA 0.257 4.324 4.120 -0.089 0.000 0.295 77 V C -2.915 173.172 176.094 -0.010 0.000 1.273 77 V CA -1.459 60.810 62.300 -0.051 0.000 0.949 77 V CB 1.944 33.716 31.823 -0.085 0.000 1.071 77 V HN -0.733 7.466 8.190 0.046 0.019 0.432 78 F N 6.768 126.663 119.950 -0.091 0.000 2.458 78 F HA 0.715 5.333 4.527 -0.061 -0.127 0.330 78 F C -2.037 173.709 175.800 -0.089 0.000 1.082 78 F CA -3.081 54.857 58.000 -0.103 0.000 0.995 78 F CB 1.842 40.725 39.000 -0.195 0.000 1.170 78 F HN 0.037 8.125 8.300 -0.354 0.000 0.478 79 L N -0.120 121.148 121.223 0.075 0.000 2.307 79 L HA 0.278 4.676 4.340 -0.137 -0.140 0.282 79 L C -0.427 176.483 176.870 0.066 0.000 1.051 79 L CA -1.113 53.712 54.840 -0.025 0.000 0.804 79 L CB 1.192 43.214 42.059 -0.062 0.000 1.197 79 L HN 0.047 8.372 8.230 0.158 0.000 0.431 80 I N 3.168 123.767 120.570 0.048 0.000 2.287 80 I HA 0.158 4.332 4.170 0.007 0.000 0.290 80 I C -0.715 175.524 176.117 0.205 0.000 1.069 80 I CA -0.137 61.228 61.300 0.109 0.000 1.237 80 I CB -0.024 38.079 38.000 0.172 0.000 1.418 80 I HN -0.203 8.005 8.210 -0.004 0.000 0.481 81 C N 7.830 127.216 119.300 0.143 0.000 2.330 81 C HA 0.205 4.853 4.460 0.072 -0.145 0.344 81 C C -1.312 173.853 174.990 0.292 0.000 1.273 81 C CA 0.074 59.173 59.018 0.135 0.000 1.879 81 C CB 0.838 28.602 27.740 0.040 0.000 2.376 81 C HN 0.109 8.372 8.230 0.055 0.000 0.534 82 F N 1.607 121.598 119.950 0.069 0.000 2.711 82 F HA 0.395 4.990 4.527 0.114 0.000 0.313 82 F C -2.858 172.971 175.800 0.048 0.000 1.141 82 F CA -1.759 56.299 58.000 0.098 0.000 0.941 82 F CB 1.745 40.845 39.000 0.167 0.000 1.349 82 F HN -0.387 7.784 8.300 -0.216 0.000 0.464 83 S N 0.118 115.900 115.700 0.137 0.000 2.465 83 S HA 0.287 4.679 4.470 -0.130 0.000 0.279 83 S C 0.079 174.702 174.600 0.038 0.000 1.201 83 S CA 0.024 58.225 58.200 0.002 0.000 1.053 83 S CB 0.791 64.033 63.200 0.069 0.000 0.953 83 S HN 0.200 8.706 8.310 0.327 0.000 0.488 84 L N 4.646 125.784 121.223 -0.141 0.000 2.056 84 L HA -0.201 4.148 4.340 0.015 0.000 0.207 84 L C 2.024 178.912 176.870 0.030 0.000 1.078 84 L CA 2.863 57.663 54.840 -0.066 0.000 0.749 84 L CB -0.161 41.813 42.059 -0.141 0.000 0.901 84 L HN 0.458 8.556 8.230 -0.221 0.000 0.433 85 V N -9.136 110.786 119.914 0.014 0.000 3.026 85 V HA -0.250 3.889 4.120 0.031 0.000 0.265 85 V C -0.897 175.234 176.094 0.062 0.000 1.121 85 V CA 1.302 63.621 62.300 0.032 0.000 1.142 85 V CB -0.389 31.444 31.823 0.018 0.000 0.730 85 V HN 0.079 8.259 8.190 -0.016 0.000 0.503 86 S N -1.668 114.088 115.700 0.092 0.000 2.594 86 S HA 0.495 5.020 4.470 0.091 0.000 0.322 86 S C -1.249 173.454 174.600 0.172 0.000 1.085 86 S CA -3.370 54.899 58.200 0.114 0.000 1.116 86 S CB 1.831 65.096 63.200 0.108 0.000 0.979 86 S HN -0.952 7.237 8.310 0.095 0.179 0.465 87 P HA -0.101 4.483 4.420 0.273 0.000 0.222 87 P C 0.635 178.042 177.300 0.178 0.000 1.147 87 P CA 2.035 65.252 63.100 0.195 0.000 0.790 87 P CB 0.055 31.835 31.700 0.134 0.000 0.780 88 A N -3.125 119.775 122.820 0.132 0.000 1.902 88 A HA -0.118 4.414 4.320 0.067 -0.173 0.217 88 A C 2.195 179.856 177.584 0.128 0.000 1.181 88 A CA 2.967 55.064 52.037 0.099 0.000 0.623 88 A CB -0.814 18.233 19.000 0.078 0.000 0.818 88 A HN 0.171 8.354 8.150 0.121 0.040 0.443 89 S N -0.388 115.429 115.700 0.194 0.000 2.383 89 S HA -0.216 4.632 4.470 0.204 -0.255 0.229 89 S C 1.665 176.410 174.600 0.243 0.000 1.030 89 S CA 2.737 61.090 58.200 0.254 0.000 1.002 89 S CB -0.520 62.890 63.200 0.350 0.000 0.829 89 S HN -0.607 7.822 8.310 0.198 0.000 0.467 90 F N 2.825 122.768 119.950 -0.010 0.000 2.259 90 F HA -0.131 3.933 4.527 -0.771 0.000 0.298 90 F C 0.957 176.631 175.800 -0.210 0.000 1.088 90 F CA 0.687 58.486 58.000 -0.336 0.000 1.358 90 F CB 0.222 39.072 39.000 -0.249 0.000 1.040 90 F HN -0.860 7.567 8.300 0.374 0.097 0.505 91 E N -0.632 119.536 120.200 -0.054 0.000 2.152 91 E HA -0.327 3.867 4.350 -0.259 0.000 0.192 91 E C 1.149 177.682 176.600 -0.112 0.000 0.983 91 E CA 2.778 59.096 56.400 -0.137 0.000 0.818 91 E CB -0.194 29.476 29.700 -0.051 0.000 0.758 91 E HN 0.057 8.324 8.360 0.078 0.140 0.467 92 N N -2.546 116.132 118.700 -0.037 0.000 2.409 92 N HA 0.025 4.731 4.740 -0.057 0.000 0.174 92 N C 2.089 177.604 175.510 0.009 0.000 1.037 92 N CA 1.993 55.028 53.050 -0.026 0.000 0.898 92 N CB 1.548 40.035 38.487 0.000 0.000 1.010 92 N HN -0.354 7.914 8.380 0.012 0.119 0.445 93 V N -1.457 118.512 119.914 0.091 0.000 2.287 93 V HA -0.409 4.093 4.120 0.637 0.000 0.248 93 V C 1.407 177.646 176.094 0.242 0.000 1.053 93 V CA 4.077 66.567 62.300 0.317 0.000 1.027 93 V CB -1.054 30.901 31.823 0.220 0.000 0.646 93 V HN -0.268 7.951 8.190 0.049 0.000 0.447 94 R N 0.474 120.973 120.500 -0.003 0.000 2.189 94 R HA -0.223 4.169 4.340 0.087 0.000 0.218 94 R C 0.921 177.226 176.300 0.008 0.000 1.074 94 R CA 2.513 58.591 56.100 -0.036 0.000 0.991 94 R CB -0.542 29.594 30.300 -0.274 0.000 0.883 94 R HN -0.547 7.639 8.270 -0.139 0.000 0.457 95 A N -1.070 121.728 122.820 -0.037 0.000 1.872 95 A HA -0.094 4.204 4.320 -0.038 0.000 0.214 95 A C 0.883 178.441 177.584 -0.044 0.000 1.187 95 A CA 2.506 54.516 52.037 -0.045 0.000 0.614 95 A CB 0.050 19.005 19.000 -0.074 0.000 0.826 95 A HN 0.026 7.978 8.150 -0.057 0.164 0.442 96 K N -3.912 116.416 120.400 -0.121 0.000 2.262 96 K HA 0.147 4.372 4.320 -0.158 0.000 0.200 96 K C 1.667 178.151 176.600 -0.194 0.000 1.058 96 K CA 1.398 57.539 56.287 -0.243 0.000 0.974 96 K CB 0.668 32.881 32.500 -0.478 0.000 0.910 96 K HN -0.172 8.002 8.250 -0.127 0.000 0.484 97 W N -1.134 120.208 121.300 0.070 0.000 2.402 97 W HA -0.354 4.326 4.660 0.034 0.000 0.286 97 W C 1.617 178.212 176.519 0.126 0.000 1.221 97 W CA 2.759 60.157 57.345 0.087 0.000 1.257 97 W CB 0.073 29.621 29.460 0.145 0.000 1.120 97 W HN -0.483 7.635 8.180 -0.104 0.000 0.551 98 Y N -0.624 119.799 120.300 0.205 0.000 2.184 98 Y HA -0.247 4.406 4.550 0.171 0.000 0.290 98 Y C -1.023 174.881 175.900 0.007 0.000 1.129 98 Y CA 4.128 62.294 58.100 0.110 0.000 1.144 98 Y CB -2.050 36.435 38.460 0.041 0.000 0.995 98 Y HN -0.386 8.128 8.280 0.389 0.000 0.513 99 P HA -0.217 3.924 4.420 -0.464 0.000 0.220 99 P C 1.409 178.407 177.300 -0.503 0.000 1.148 99 P CA 2.799 65.691 63.100 -0.347 0.000 0.803 99 P CB -0.689 30.903 31.700 -0.181 0.000 0.782 100 E N -1.029 119.084 120.200 -0.145 0.000 2.051 100 E HA -0.162 4.316 4.350 0.213 0.000 0.189 100 E C 2.273 178.917 176.600 0.073 0.000 0.979 100 E CA 1.924 58.357 56.400 0.054 0.000 0.803 100 E CB -0.443 29.329 29.700 0.120 0.000 0.761 100 E HN -0.813 7.477 8.360 -0.051 0.039 0.451 101 V N -0.872 119.055 119.914 0.021 0.000 2.407 101 V HA -0.475 3.673 4.120 0.046 0.000 0.248 101 V C 2.211 178.300 176.094 -0.008 0.000 1.055 101 V CA 3.648 65.971 62.300 0.039 0.000 1.049 101 V CB -0.204 31.696 31.823 0.129 0.000 0.662 101 V HN -0.752 7.459 8.190 0.035 0.000 0.455 102 R N -1.305 119.073 120.500 -0.203 0.000 2.148 102 R HA -0.253 3.996 4.340 -0.153 0.000 0.227 102 R C 1.162 177.427 176.300 -0.060 0.000 1.103 102 R CA 2.479 58.441 56.100 -0.231 0.000 0.983 102 R CB -1.100 28.901 30.300 -0.500 0.000 0.874 102 R HN -0.269 7.792 8.270 -0.329 0.012 0.451 103 H N -2.661 116.418 119.070 0.015 0.000 2.421 103 H HA -0.231 4.310 4.556 -0.024 0.000 0.298 103 H C 1.028 176.358 175.328 0.005 0.000 1.087 103 H CA 1.897 57.959 56.048 0.024 0.000 1.330 103 H CB 0.156 29.957 29.762 0.065 0.000 1.388 103 H HN -0.344 7.750 8.280 -0.078 0.139 0.526 104 H N -3.283 115.850 119.070 0.106 0.000 2.486 104 H HA 0.014 4.606 4.556 0.059 0.000 0.287 104 H C 0.324 175.673 175.328 0.035 0.000 1.010 104 H CA 0.675 56.760 56.048 0.063 0.000 1.324 104 H CB 1.938 31.737 29.762 0.061 0.000 1.446 104 H HN -0.662 7.856 8.280 0.424 0.017 0.537 105 C N -0.150 119.237 119.300 0.145 0.000 4.300 105 C HA -0.141 4.344 4.460 0.042 0.000 0.304 105 C C -0.809 174.226 174.990 0.075 0.000 1.367 105 C CA 0.101 59.161 59.018 0.070 0.000 2.032 105 C CB -1.062 26.703 27.740 0.042 0.000 1.285 105 C HN -0.157 8.090 8.230 0.155 0.076 0.737 106 P HA -0.062 4.401 4.420 0.071 0.000 0.230 106 P C -0.684 176.644 177.300 0.046 0.000 1.158 106 P CA 1.419 64.561 63.100 0.069 0.000 0.769 106 P CB 0.261 31.998 31.700 0.062 0.000 0.807 107 N N -4.506 114.219 118.700 0.042 0.000 2.753 107 N HA -0.300 4.459 4.740 0.031 0.000 0.251 107 N C -1.572 173.952 175.510 0.024 0.000 1.097 107 N CA 0.861 53.929 53.050 0.031 0.000 0.786 107 N CB -0.847 37.655 38.487 0.026 0.000 1.137 107 N HN 0.241 8.580 8.380 0.047 0.069 0.566 108 T N 1.170 115.742 114.554 0.029 0.000 2.851 108 T HA 0.079 4.433 4.350 0.007 0.000 0.298 108 T C -1.472 173.222 174.700 -0.011 0.000 0.977 108 T CA -1.443 60.666 62.100 0.015 0.000 1.126 108 T CB 0.822 69.708 68.868 0.029 0.000 0.916 108 T HN -0.097 8.113 8.240 0.043 0.055 0.529 109 P HA -0.031 4.357 4.420 -0.053 0.000 0.269 109 P C -1.708 175.488 177.300 -0.174 0.000 1.215 109 P CA -0.256 62.800 63.100 -0.074 0.000 0.780 109 P CB 0.664 32.328 31.700 -0.061 0.000 0.898 110 I N -6.565 113.875 120.570 -0.216 0.000 2.534 110 I HA 0.407 4.199 4.170 -0.631 0.000 0.288 110 I C -1.796 174.148 176.117 -0.287 0.000 1.077 110 I CA -1.901 59.140 61.300 -0.431 0.000 1.051 110 I CB 3.121 40.825 38.000 -0.492 0.000 1.234 110 I HN -0.071 8.057 8.210 -0.136 0.000 0.425 111 I N 3.502 123.884 120.570 -0.314 0.000 2.664 111 I HA 0.651 4.919 4.170 -0.105 -0.161 0.308 111 I C -0.911 175.142 176.117 -0.107 0.000 0.984 111 I CA -2.641 58.559 61.300 -0.167 0.000 1.213 111 I CB 1.938 39.841 38.000 -0.162 0.000 1.379 111 I HN -0.271 7.677 8.210 -0.438 0.000 0.501 112 L N 2.286 123.518 121.223 0.015 0.000 2.365 112 L HA 0.290 4.714 4.340 0.141 0.000 0.273 112 L C -1.650 175.290 176.870 0.116 0.000 1.000 112 L CA -0.815 54.121 54.840 0.161 0.000 0.819 112 L CB 2.941 45.215 42.059 0.358 0.000 1.284 112 L HN 0.309 8.550 8.230 0.017 0.000 0.418 113 V N 2.048 122.031 119.914 0.115 0.000 2.680 113 V HA 0.581 4.767 4.120 -0.123 -0.139 0.309 113 V C -0.867 175.119 176.094 -0.181 0.000 1.052 113 V CA -2.103 60.160 62.300 -0.061 0.000 0.908 113 V CB 3.359 35.107 31.823 -0.125 0.000 1.001 113 V HN 0.494 8.810 8.190 0.210 0.000 0.431 114 G N 4.063 112.686 108.800 -0.295 0.000 4.662 114 G HA2 0.426 3.824 3.960 -0.937 0.000 0.328 114 G HA3 0.426 4.147 3.960 -0.398 0.000 0.328 114 G C -0.657 174.029 174.900 -0.357 0.000 1.451 114 G CA -1.083 43.719 45.100 -0.496 0.000 1.154 114 G HN -0.058 8.086 8.290 -0.242 0.000 0.547 115 T N -0.587 113.779 114.554 -0.314 0.000 2.716 115 T HA -0.246 4.140 4.350 -0.167 -0.136 0.335 115 T C -0.198 174.392 174.700 -0.183 0.000 1.081 115 T CA 0.603 62.582 62.100 -0.202 0.000 1.073 115 T CB 0.876 69.654 68.868 -0.150 0.000 0.993 115 T HN -0.650 7.385 8.240 -0.342 0.000 0.547 116 K N -1.675 118.647 120.400 -0.129 0.000 4.361 116 K HA -0.305 4.081 4.320 -0.082 -0.115 0.294 116 K C -1.244 175.302 176.600 -0.090 0.000 0.970 116 K CA 0.575 56.804 56.287 -0.098 0.000 0.913 116 K CB -1.110 31.338 32.500 -0.087 0.000 1.583 116 K HN 0.396 8.574 8.250 -0.120 0.000 0.438 117 L N -1.693 119.485 121.223 -0.076 0.000 2.416 117 L HA 0.024 4.319 4.340 -0.075 0.000 0.216 117 L C 0.702 177.551 176.870 -0.034 0.000 1.098 117 L CA 2.090 56.892 54.840 -0.063 0.000 0.840 117 L CB -0.166 41.854 42.059 -0.064 0.000 0.981 117 L HN 0.087 8.275 8.230 -0.069 0.000 0.462 118 D N -1.218 119.170 120.400 -0.020 0.000 2.149 118 D HA -0.267 4.373 4.640 0.000 0.000 0.198 118 D C 0.865 177.163 176.300 -0.002 0.000 0.990 118 D CA 3.083 57.082 54.000 -0.002 0.000 0.839 118 D CB -0.751 40.059 40.800 0.018 0.000 0.948 118 D HN -0.461 7.894 8.370 -0.024 0.000 0.460 119 L N -8.587 112.631 121.223 -0.008 0.000 2.607 119 L HA 0.263 4.604 4.340 0.003 0.000 0.228 119 L C 1.205 178.070 176.870 -0.008 0.000 1.123 119 L CA -0.189 54.649 54.840 -0.004 0.000 0.890 119 L CB -1.279 40.779 42.059 -0.002 0.000 1.103 119 L HN -0.538 7.667 8.230 -0.017 0.014 0.468 120 R N -0.283 120.206 120.500 -0.019 0.000 2.173 120 R HA -0.115 4.217 4.340 -0.012 0.000 0.208 120 R C 0.600 176.895 176.300 -0.009 0.000 1.035 120 R CA 1.919 58.007 56.100 -0.019 0.000 1.004 120 R CB 0.336 30.611 30.300 -0.041 0.000 0.917 120 R HN -0.738 7.318 8.270 -0.025 0.199 0.462 121 D N -1.771 118.624 120.400 -0.009 0.000 2.525 121 D HA 0.119 4.758 4.640 -0.001 0.000 0.229 121 D C -1.654 174.646 176.300 0.000 0.000 1.202 121 D CA -0.284 53.713 54.000 -0.004 0.000 0.828 121 D CB 0.831 41.626 40.800 -0.009 0.000 1.008 121 D HN -0.594 7.769 8.370 -0.012 0.000 0.493 122 D N 0.102 120.503 120.400 0.002 0.000 2.373 122 D HA 0.110 4.753 4.640 0.005 0.000 0.227 122 D C 0.288 176.592 176.300 0.007 0.000 1.091 122 D CA -0.660 53.343 54.000 0.005 0.000 0.840 122 D CB 1.577 42.382 40.800 0.007 0.000 1.060 122 D HN -0.868 7.418 8.370 0.001 0.085 0.502 123 K N 7.876 128.281 120.400 0.007 0.000 2.001 123 K HA -0.475 3.850 4.320 0.009 0.000 0.214 123 K C 0.947 177.553 176.600 0.010 0.000 1.050 123 K CA 3.684 59.976 56.287 0.008 0.000 0.934 123 K CB -0.070 32.435 32.500 0.007 0.000 0.718 123 K HN 0.441 8.694 8.250 0.006 0.000 0.443 124 D N -3.597 116.809 120.400 0.009 0.000 2.104 124 D HA -0.227 4.419 4.640 0.010 0.000 0.194 124 D C 2.214 178.520 176.300 0.011 0.000 0.994 124 D CA 3.487 57.493 54.000 0.010 0.000 0.830 124 D CB -0.399 40.407 40.800 0.010 0.000 0.959 124 D HN 0.141 8.516 8.370 0.009 0.000 0.452 125 T N 2.250 116.811 114.554 0.012 0.000 2.746 125 T HA -0.325 4.033 4.350 0.013 0.000 0.267 125 T C 1.995 176.704 174.700 0.014 0.000 1.039 125 T CA 4.984 67.091 62.100 0.013 0.000 1.142 125 T CB -0.029 68.846 68.868 0.012 0.000 0.866 125 T HN -0.212 8.352 8.240 0.011 -0.318 0.444 126 I N 1.238 121.816 120.570 0.014 0.000 2.264 126 I HA -0.591 3.589 4.170 0.018 0.000 0.248 126 I C 1.415 177.541 176.117 0.016 0.000 1.111 126 I CA 4.735 66.044 61.300 0.016 0.000 1.382 126 I CB -0.208 37.801 38.000 0.015 0.000 1.060 126 I HN 0.413 8.455 8.210 0.012 0.176 0.418 127 E N -1.466 118.742 120.200 0.014 0.000 2.153 127 E HA -0.419 3.940 4.350 0.014 0.000 0.194 127 E C 2.225 178.834 176.600 0.015 0.000 0.988 127 E CA 3.501 59.909 56.400 0.014 0.000 0.811 127 E CB -0.425 29.282 29.700 0.012 0.000 0.746 127 E HN 0.014 8.283 8.360 0.013 0.099 0.466 128 K N -1.645 118.764 120.400 0.015 0.000 2.097 128 K HA -0.184 4.145 4.320 0.014 0.000 0.205 128 K C 2.900 179.511 176.600 0.018 0.000 1.050 128 K CA 2.522 58.819 56.287 0.015 0.000 0.938 128 K CB -0.331 32.179 32.500 0.015 0.000 0.718 128 K HN -0.837 7.287 8.250 0.014 0.135 0.442 129 L N -0.831 120.404 121.223 0.020 0.000 2.083 129 L HA -0.362 3.993 4.340 0.025 0.000 0.209 129 L C 1.745 178.629 176.870 0.023 0.000 1.083 129 L CA 3.014 57.868 54.840 0.024 0.000 0.752 129 L CB -0.753 41.322 42.059 0.027 0.000 0.899 129 L HN -0.165 7.979 8.230 0.019 0.097 0.433 130 K N -2.321 118.091 120.400 0.020 0.000 2.152 130 K HA -0.250 4.082 4.320 0.021 0.000 0.206 130 K C 3.036 179.646 176.600 0.017 0.000 1.048 130 K CA 2.264 58.562 56.287 0.019 0.000 0.933 130 K CB -1.136 31.374 32.500 0.017 0.000 0.721 130 K HN -0.489 7.667 8.250 0.019 0.106 0.447 131 E N -1.076 119.134 120.200 0.016 0.000 2.204 131 E HA -0.195 4.163 4.350 0.014 0.000 0.195 131 E C 1.389 177.998 176.600 0.016 0.000 0.990 131 E CA 2.457 58.866 56.400 0.015 0.000 0.821 131 E CB -0.639 29.069 29.700 0.014 0.000 0.750 131 E HN -0.272 7.948 8.360 0.017 0.150 0.477 132 K N -3.775 116.636 120.400 0.019 0.000 2.399 132 K HA 0.069 4.400 4.320 0.018 0.000 0.204 132 K C -0.950 175.664 176.600 0.022 0.000 1.023 132 K CA -1.523 54.776 56.287 0.020 0.000 1.127 132 K CB -0.278 32.236 32.500 0.023 0.000 0.856 132 K HN -0.446 7.661 8.250 0.020 0.154 0.514 133 K N -4.670 115.743 120.400 0.021 0.000 3.160 133 K HA -0.411 3.921 4.320 0.020 0.000 0.280 133 K C -0.726 175.891 176.600 0.027 0.000 1.154 133 K CA 0.684 56.984 56.287 0.022 0.000 0.822 133 K CB -3.170 29.342 32.500 0.019 0.000 1.239 133 K HN -0.231 7.811 8.250 0.020 0.220 0.489 134 L N -2.154 119.088 121.223 0.031 0.000 2.330 134 L HA 0.282 4.648 4.340 0.042 0.000 0.271 134 L C -1.182 175.712 176.870 0.040 0.000 1.013 134 L CA -1.055 53.809 54.840 0.040 0.000 0.816 134 L CB 2.668 44.753 42.059 0.044 0.000 1.287 134 L HN -0.099 8.017 8.230 0.028 0.131 0.435 135 T N -3.846 110.737 114.554 0.048 0.000 2.900 135 T HA 0.417 4.790 4.350 0.039 0.000 0.295 135 T C -2.138 172.595 174.700 0.056 0.000 1.044 135 T CA -4.093 58.034 62.100 0.046 0.000 0.995 135 T CB 1.819 70.713 68.868 0.044 0.000 1.072 135 T HN -0.207 8.066 8.240 0.056 0.000 0.473 136 P HA 0.111 4.582 4.420 0.050 -0.022 0.274 136 P C -1.571 175.760 177.300 0.052 0.000 1.237 136 P CA -0.566 62.561 63.100 0.045 0.000 0.793 136 P CB 0.905 32.621 31.700 0.028 0.000 0.977 137 I N 0.407 121.004 120.570 0.046 0.000 2.519 137 I HA 0.017 4.225 4.170 0.062 0.000 0.287 137 I C -0.302 175.841 176.117 0.045 0.000 1.047 137 I CA -1.657 59.664 61.300 0.035 0.000 1.381 137 I CB 0.003 37.972 38.000 -0.052 0.000 1.417 137 I HN 0.236 8.334 8.210 0.036 0.134 0.540 138 T N 5.608 120.203 114.554 0.067 0.000 2.897 138 T HA -0.011 4.404 4.350 0.108 0.000 0.278 138 T C 1.081 175.886 174.700 0.176 0.000 0.981 138 T CA -2.008 60.158 62.100 0.111 0.000 0.973 138 T CB 2.270 71.200 68.868 0.103 0.000 1.092 138 T HN -0.203 8.076 8.240 0.065 0.000 0.543 139 Y N 3.954 124.318 120.300 0.106 0.000 2.163 139 Y HA 0.039 4.774 4.550 0.309 0.000 0.288 139 Y C -0.413 175.618 175.900 0.218 0.000 1.136 139 Y CA 4.891 63.107 58.100 0.194 0.000 1.147 139 Y CB -1.862 36.659 38.460 0.102 0.000 0.987 139 Y HN 0.450 8.908 8.280 0.296 0.000 0.509 140 P HA -0.192 4.223 4.420 -0.008 0.000 0.220 140 P C 1.555 178.836 177.300 -0.031 0.000 1.148 140 P CA 2.929 66.054 63.100 0.041 0.000 0.803 140 P CB -0.701 31.059 31.700 0.101 0.000 0.782 141 Q N -0.868 118.933 119.800 0.001 0.000 2.046 141 Q HA -0.247 4.112 4.340 0.033 0.000 0.200 141 Q C 2.152 178.133 176.000 -0.031 0.000 0.975 141 Q CA 2.947 58.766 55.803 0.025 0.000 0.836 141 Q CB -1.033 27.759 28.738 0.091 0.000 0.896 141 Q HN 0.177 8.439 8.270 0.046 0.036 0.428 142 G N -1.282 107.336 108.800 -0.303 0.000 2.408 142 G HA2 -0.222 3.635 3.960 -0.171 0.000 0.215 142 G HA3 -0.222 2.696 3.960 -1.736 0.000 0.215 142 G C 0.977 175.272 174.900 -1.008 0.000 1.156 142 G CA 1.177 45.759 45.100 -0.862 0.000 0.793 142 G HN -0.699 7.458 8.290 -0.222 0.000 0.535 143 L N 1.394 122.214 121.223 -0.671 0.000 2.043 143 L HA -0.399 3.832 4.340 -0.181 0.000 0.212 143 L C 1.516 178.267 176.870 -0.198 0.000 1.075 143 L CA 2.767 57.423 54.840 -0.307 0.000 0.752 143 L CB -0.045 41.880 42.059 -0.224 0.000 0.891 143 L HN -0.050 7.883 8.230 -0.496 0.000 0.432 144 A N -2.405 120.316 122.820 -0.165 0.000 1.930 144 A HA -0.307 3.961 4.320 -0.088 0.000 0.217 144 A C 1.784 179.284 177.584 -0.140 0.000 1.175 144 A CA 2.888 54.857 52.037 -0.113 0.000 0.627 144 A CB -0.679 18.272 19.000 -0.082 0.000 0.815 144 A HN -0.437 7.607 8.150 -0.168 0.005 0.443 145 M N -0.658 118.841 119.600 -0.169 0.000 2.159 145 M HA -0.347 4.161 4.480 -0.235 -0.169 0.263 145 M C 1.517 177.715 176.300 -0.170 0.000 1.063 145 M CA 1.583 56.766 55.300 -0.194 0.000 1.110 145 M CB -0.625 31.896 32.600 -0.132 0.000 1.374 145 M HN -0.745 7.326 8.290 -0.172 0.116 0.411 146 A N -2.244 120.486 122.820 -0.150 0.000 1.972 146 A HA -0.353 3.932 4.320 -0.058 0.000 0.219 146 A C 1.514 179.059 177.584 -0.064 0.000 1.169 146 A CA 3.251 55.242 52.037 -0.077 0.000 0.635 146 A CB -0.893 18.093 19.000 -0.023 0.000 0.810 146 A HN -0.113 7.805 8.150 -0.207 0.108 0.446 147 K N -2.391 117.963 120.400 -0.076 0.000 2.062 147 K HA -0.315 3.984 4.320 -0.036 0.000 0.205 147 K C 2.710 179.267 176.600 -0.072 0.000 1.051 147 K CA 3.348 59.600 56.287 -0.058 0.000 0.941 147 K CB -0.077 32.391 32.500 -0.054 0.000 0.719 147 K HN -0.565 7.502 8.250 -0.094 0.127 0.440 148 E N -1.181 118.947 120.200 -0.120 0.000 2.046 148 E HA -0.215 4.067 4.350 -0.115 0.000 0.190 148 E C 1.955 178.436 176.600 -0.198 0.000 0.982 148 E CA 2.362 58.665 56.400 -0.161 0.000 0.800 148 E CB -0.108 29.456 29.700 -0.226 0.000 0.756 148 E HN -0.818 7.461 8.360 -0.136 0.000 0.449 149 I N -7.488 112.944 120.570 -0.229 0.000 3.564 149 I HA 0.116 4.097 4.170 -0.315 0.000 0.294 149 I C 0.478 176.640 176.117 0.075 0.000 1.289 149 I CA -0.251 60.952 61.300 -0.163 0.000 1.325 149 I CB -0.399 37.503 38.000 -0.163 0.000 1.039 149 I HN -0.488 7.595 8.210 -0.211 0.000 0.474 150 G N -0.455 108.353 108.800 0.014 0.000 2.225 150 G HA2 -0.366 3.600 3.960 0.010 0.000 0.267 150 G HA3 -0.366 3.629 3.960 0.058 0.000 0.267 150 G C -0.255 174.658 174.900 0.021 0.000 1.024 150 G CA 0.299 45.418 45.100 0.030 0.000 0.784 150 G HN -0.557 7.501 8.290 -0.037 0.210 0.507 151 A N -1.307 121.515 122.820 0.004 0.000 2.498 151 A HA -0.199 4.163 4.320 -0.027 -0.057 0.239 151 A C 0.382 177.958 177.584 -0.012 0.000 1.068 151 A CA 0.128 52.157 52.037 -0.012 0.000 0.766 151 A CB 1.018 20.013 19.000 -0.007 0.000 1.003 151 A HN -0.374 7.664 8.150 -0.009 0.107 0.497 152 V N -0.856 119.039 119.914 -0.031 0.000 2.515 152 V HA -0.261 3.852 4.120 -0.013 0.000 0.250 152 V C 0.268 176.357 176.094 -0.007 0.000 1.058 152 V CA 1.929 64.215 62.300 -0.023 0.000 1.064 152 V CB 0.478 32.276 31.823 -0.042 0.000 0.675 152 V HN 0.139 8.293 8.190 -0.059 0.000 0.461 153 K N -2.482 117.917 120.400 -0.001 0.000 2.622 153 K HA 0.093 4.443 4.320 0.050 0.000 0.273 153 K C -3.014 173.630 176.600 0.074 0.000 0.957 153 K CA -0.498 55.806 56.287 0.028 0.000 0.861 153 K CB 2.489 34.986 32.500 -0.005 0.000 1.405 153 K HN -0.871 7.355 8.250 -0.015 0.015 0.406 154 Y N 3.279 123.552 120.300 -0.044 0.000 2.406 154 Y HA 0.407 5.082 4.550 -0.034 -0.146 0.340 154 Y C -2.286 173.601 175.900 -0.022 0.000 0.975 154 Y CA -1.663 56.412 58.100 -0.042 0.000 1.056 154 Y CB 1.697 40.124 38.460 -0.055 0.000 1.210 154 Y HN 0.080 8.440 8.280 0.132 0.000 0.448 155 L N 2.798 123.664 121.223 -0.594 0.000 2.403 155 L HA 0.718 4.645 4.340 -0.688 0.000 0.253 155 L C -2.299 174.279 176.870 -0.486 0.000 1.045 155 L CA -1.977 52.521 54.840 -0.571 0.000 0.845 155 L CB 4.461 46.364 42.059 -0.260 0.000 1.447 155 L HN 0.444 8.497 8.230 -0.294 0.000 0.411 156 E N -1.203 118.798 120.200 -0.331 0.000 2.227 156 E HA 0.319 4.612 4.350 -0.251 -0.094 0.268 156 E C -1.829 174.669 176.600 -0.170 0.000 0.907 156 E CA -1.703 54.559 56.400 -0.230 0.000 0.786 156 E CB 2.754 32.358 29.700 -0.159 0.000 1.191 156 E HN 0.094 8.295 8.360 -0.265 0.000 0.411 157 C N -1.514 117.692 119.300 -0.158 0.000 3.306 157 C HA 0.402 4.808 4.460 -0.090 0.000 0.335 157 C C -2.268 172.665 174.990 -0.095 0.000 1.382 157 C CA -2.233 56.717 59.018 -0.112 0.000 1.254 157 C CB 3.265 30.937 27.740 -0.114 0.000 1.555 157 C HN 0.239 8.243 8.230 -0.182 0.117 0.463 158 S N -2.330 113.340 115.700 -0.051 0.000 2.542 158 S HA 0.241 4.674 4.470 -0.061 0.000 0.293 158 S C -0.067 174.537 174.600 0.008 0.000 1.089 158 S CA -2.202 55.978 58.200 -0.033 0.000 0.961 158 S CB 2.723 65.914 63.200 -0.015 0.000 1.062 158 S HN 0.071 8.437 8.310 -0.033 -0.076 0.483 159 A N 6.364 129.184 122.820 -0.001 0.000 2.095 159 A HA 0.081 4.459 4.320 0.096 0.000 0.212 159 A C 0.118 177.806 177.584 0.174 0.000 1.162 159 A CA 1.687 53.755 52.037 0.052 0.000 0.753 159 A CB 0.105 19.064 19.000 -0.068 0.000 0.840 159 A HN 0.569 8.692 8.150 -0.045 0.000 0.468 160 L N -3.026 118.293 121.223 0.161 0.000 2.127 160 L HA -0.078 4.552 4.340 0.483 0.000 0.203 160 L C 1.515 178.474 176.870 0.148 0.000 1.080 160 L CA 2.680 57.679 54.840 0.266 0.000 0.768 160 L CB 0.397 42.586 42.059 0.216 0.000 0.924 160 L HN -0.580 7.691 8.230 0.068 0.000 0.444 161 T N -7.261 107.346 114.554 0.089 0.000 3.014 161 T HA -0.025 4.359 4.350 0.056 0.000 0.250 161 T C -0.191 174.540 174.700 0.053 0.000 1.060 161 T CA -0.233 61.901 62.100 0.057 0.000 1.040 161 T CB 1.364 70.251 68.868 0.032 0.000 0.971 161 T HN -0.555 7.728 8.240 0.073 0.000 0.497 162 Q N -2.315 117.523 119.800 0.064 0.000 2.470 162 Q HA -0.365 4.229 4.340 0.083 -0.205 0.294 162 Q C 0.009 176.034 176.000 0.041 0.000 1.356 162 Q CA 1.133 56.978 55.803 0.070 0.000 0.805 162 Q CB -2.358 26.431 28.738 0.085 0.000 1.157 162 Q HN -0.130 8.095 8.270 0.070 0.087 0.431 163 R N -2.587 117.922 120.500 0.014 0.000 2.154 163 R HA -0.247 4.089 4.340 -0.007 0.000 0.236 163 R C 0.782 177.076 176.300 -0.010 0.000 1.121 163 R CA 2.348 58.442 56.100 -0.009 0.000 0.915 163 R CB 0.013 30.293 30.300 -0.034 0.000 0.856 163 R HN -0.372 7.905 8.270 0.011 0.000 0.431 164 G N -3.377 105.410 108.800 -0.022 0.000 4.831 164 G HA2 0.282 4.243 3.960 0.003 0.000 0.231 164 G HA3 0.282 4.209 3.960 -0.054 0.000 0.231 164 G C -0.875 174.007 174.900 -0.031 0.000 1.006 164 G CA -0.849 44.236 45.100 -0.025 0.000 0.792 164 G HN -0.152 8.119 8.290 -0.032 0.000 0.546 165 L N -0.282 120.964 121.223 0.038 0.000 1.994 165 L HA -0.370 3.928 4.340 -0.071 0.000 0.208 165 L C 1.396 178.313 176.870 0.079 0.000 1.071 165 L CA 2.519 57.401 54.840 0.069 0.000 0.745 165 L CB -0.198 42.023 42.059 0.269 0.000 0.892 165 L HN -0.324 7.949 8.230 0.072 0.000 0.431 166 K N -2.864 117.670 120.400 0.224 0.000 2.152 166 K HA -0.339 4.062 4.320 0.135 0.000 0.206 166 K C 1.936 178.565 176.600 0.048 0.000 1.048 166 K CA 3.856 60.275 56.287 0.221 0.000 0.933 166 K CB -1.227 31.467 32.500 0.323 0.000 0.721 166 K HN 0.163 8.567 8.250 0.257 0.000 0.447 167 T N 0.301 114.849 114.554 -0.009 0.000 2.788 167 T HA -0.221 4.112 4.350 -0.029 0.000 0.268 167 T C 1.540 176.155 174.700 -0.142 0.000 1.044 167 T CA 4.299 66.364 62.100 -0.060 0.000 1.139 167 T CB -0.753 68.076 68.868 -0.066 0.000 0.867 167 T HN -0.046 8.081 8.240 0.009 0.118 0.454 168 V N 1.694 121.447 119.914 -0.268 0.000 2.261 168 V HA -0.441 3.489 4.120 -0.316 0.000 0.246 168 V C 1.919 177.739 176.094 -0.457 0.000 1.047 168 V CA 3.916 65.952 62.300 -0.440 0.000 1.015 168 V CB -0.995 30.395 31.823 -0.723 0.000 0.642 168 V HN -0.477 7.447 8.190 -0.249 0.116 0.446 169 F N -2.162 117.634 119.950 -0.258 0.000 2.146 169 F HA -0.330 4.068 4.527 -0.215 0.000 0.298 169 F C 2.012 177.705 175.800 -0.179 0.000 1.096 169 F CA 3.960 61.795 58.000 -0.275 0.000 1.275 169 F CB -1.068 37.620 39.000 -0.520 0.000 1.008 169 F HN -0.682 7.217 8.300 -0.667 0.000 0.480 170 D N -0.571 119.836 120.400 0.012 0.000 2.104 170 D HA -0.432 4.225 4.640 0.028 0.000 0.194 170 D C 1.859 178.150 176.300 -0.016 0.000 0.994 170 D CA 3.861 57.866 54.000 0.009 0.000 0.830 170 D CB -0.077 40.731 40.800 0.013 0.000 0.959 170 D HN 0.151 8.413 8.370 -0.007 0.104 0.452 171 E N -0.650 119.520 120.200 -0.049 0.000 2.152 171 E HA -0.277 4.053 4.350 -0.033 0.000 0.192 171 E C 2.465 179.032 176.600 -0.055 0.000 0.983 171 E CA 1.907 58.276 56.400 -0.052 0.000 0.818 171 E CB -0.411 29.247 29.700 -0.070 0.000 0.758 171 E HN -0.141 8.174 8.360 -0.074 0.000 0.467 172 A N -0.150 122.626 122.820 -0.073 0.000 1.902 172 A HA -0.230 4.041 4.320 -0.082 0.000 0.217 172 A C 2.150 179.719 177.584 -0.025 0.000 1.181 172 A CA 2.924 54.922 52.037 -0.065 0.000 0.623 172 A CB -0.715 18.238 19.000 -0.077 0.000 0.818 172 A HN -0.090 7.923 8.150 -0.097 0.078 0.443 173 I N -2.434 118.134 120.570 -0.002 0.000 2.179 173 I HA -0.610 3.571 4.170 0.018 0.000 0.242 173 I C 2.249 178.367 176.117 0.001 0.000 1.088 173 I CA 3.930 65.236 61.300 0.010 0.000 1.357 173 I CB -0.165 37.846 38.000 0.018 0.000 1.051 173 I HN -0.267 7.935 8.210 -0.000 0.008 0.409 174 R N -1.452 119.044 120.500 -0.006 0.000 2.127 174 R HA -0.440 3.899 4.340 -0.001 0.000 0.238 174 R C 2.119 178.412 176.300 -0.011 0.000 1.134 174 R CA 3.300 59.396 56.100 -0.006 0.000 0.975 174 R CB -0.673 29.621 30.300 -0.008 0.000 0.865 174 R HN -0.695 7.570 8.270 -0.008 0.000 0.447 175 A N -0.907 121.901 122.820 -0.022 0.000 2.042 175 A HA -0.211 4.091 4.320 -0.029 0.000 0.222 175 A C 1.239 178.811 177.584 -0.020 0.000 1.167 175 A CA 2.732 54.751 52.037 -0.030 0.000 0.649 175 A CB -0.502 18.466 19.000 -0.053 0.000 0.809 175 A HN -0.273 7.724 8.150 -0.026 0.138 0.457 176 V N -5.991 113.917 119.914 -0.010 0.000 2.795 176 V HA -0.019 4.097 4.120 -0.005 0.000 0.243 176 V C 1.147 177.242 176.094 0.002 0.000 1.069 176 V CA 1.797 64.096 62.300 -0.002 0.000 1.089 176 V CB 1.280 33.106 31.823 0.006 0.000 0.756 176 V HN -0.672 7.374 8.190 -0.008 0.140 0.471 177 L N -2.108 119.117 121.223 0.003 0.000 1.988 177 L HA -0.228 4.116 4.340 0.007 0.000 0.207 177 L C 1.212 178.084 176.870 0.003 0.000 1.071 177 L CA 2.540 57.383 54.840 0.005 0.000 0.744 177 L CB -0.754 41.309 42.059 0.005 0.000 0.893 177 L HN -0.787 7.372 8.230 0.002 0.072 0.433 178 C N -1.362 117.938 119.300 0.001 0.000 3.400 178 C HA 0.057 4.518 4.460 0.002 0.000 0.290 178 C C -1.353 173.638 174.990 0.000 0.000 1.318 178 C CA 0.279 59.298 59.018 0.001 0.000 1.725 178 C CB -1.046 26.694 27.740 0.000 0.000 2.171 178 C HN -0.024 8.205 8.230 -0.001 0.000 0.521 179 P HA -0.000 4.419 4.420 -0.000 0.000 0.273 179 P C -2.459 174.841 177.300 -0.001 0.000 1.248 179 P CA -0.453 62.645 63.100 -0.003 0.000 0.817 179 P CB -1.103 30.591 31.700 -0.009 0.000 0.995 180 P HA 0.031 4.455 4.420 0.005 0.000 0.265 180 P C -1.647 175.654 177.300 0.003 0.000 1.187 180 P CA -0.553 62.550 63.100 0.004 0.000 0.766 180 P CB -0.814 30.889 31.700 0.007 0.000 0.820 181 P HA -0.033 4.390 4.420 0.006 0.000 0.285 181 P C 0.260 177.564 177.300 0.008 0.000 1.282 181 P CA -0.608 62.496 63.100 0.007 0.000 0.778 181 P CB 0.877 32.582 31.700 0.009 0.000 1.222 182 V N -1.929 117.990 119.914 0.009 0.000 5.082 182 V HA 0.081 4.208 4.120 0.010 0.000 0.154 182 V C -0.589 175.512 176.094 0.012 0.000 0.918 182 V CA -0.920 61.386 62.300 0.010 0.000 1.435 182 V CB 1.567 33.395 31.823 0.009 0.000 2.319 182 V HN 0.020 8.217 8.190 0.010 0.000 0.393 183 K N 1.036 121.442 120.400 0.011 0.000 6.012 183 K HA -0.374 3.952 4.320 0.010 0.000 0.567 183 K C -1.898 174.710 176.600 0.013 0.000 1.451 183 K CA 0.552 56.846 56.287 0.011 0.000 1.465 183 K CB -0.779 31.728 32.500 0.012 0.000 1.828 183 K HN 0.217 8.473 8.250 0.011 0.000 0.335 184 K N 4.369 124.775 120.400 0.010 0.000 2.579 184 K HA 0.162 4.495 4.320 0.021 0.000 0.250 184 K C -1.473 175.136 176.600 0.015 0.000 0.952 184 K CA -0.565 55.732 56.287 0.016 0.000 0.857 184 K CB 1.319 33.829 32.500 0.017 0.000 1.123 184 K HN 0.103 8.356 8.250 0.006 0.000 0.433 185 R N 2.285 122.796 120.500 0.018 0.000 2.561 185 R HA 0.237 4.585 4.340 0.014 0.000 0.297 185 R C -0.829 175.484 176.300 0.022 0.000 0.969 185 R CA -0.665 55.445 56.100 0.016 0.000 0.879 185 R CB 1.828 32.135 30.300 0.012 0.000 1.178 185 R HN 0.222 8.504 8.270 0.020 0.000 0.445 186 K N 3.079 123.493 120.400 0.023 0.000 2.606 186 K HA 0.144 4.477 4.320 0.021 0.000 0.259 186 K C -1.106 175.508 176.600 0.022 0.000 1.001 186 K CA -0.560 55.742 56.287 0.026 0.000 0.881 186 K CB 1.100 33.622 32.500 0.037 0.000 1.288 186 K HN 0.238 8.500 8.250 0.021 0.000 0.452 187 R N 2.715 123.225 120.500 0.017 0.000 2.528 187 R HA 0.051 4.399 4.340 0.014 0.000 0.271 187 R C 0.934 177.243 176.300 0.014 0.000 1.056 187 R CA 0.075 56.183 56.100 0.014 0.000 1.117 187 R CB 0.604 30.910 30.300 0.010 0.000 1.085 187 R HN 0.271 8.550 8.270 0.015 0.000 0.530 188 K N 1.161 121.568 120.400 0.012 0.000 2.244 188 K HA 0.061 4.388 4.320 0.012 0.000 0.200 188 K C -0.002 176.602 176.600 0.006 0.000 1.052 188 K CA 0.432 56.726 56.287 0.010 0.000 0.980 188 K CB 0.270 32.777 32.500 0.011 0.000 0.838 188 K HN 0.382 8.639 8.250 0.011 0.000 0.481 189 C N -2.303 117.001 119.300 0.005 0.000 3.303 189 C HA 0.034 4.496 4.460 0.003 0.000 0.340 189 C C -0.901 174.091 174.990 0.003 0.000 1.274 189 C CA -1.053 57.967 59.018 0.003 0.000 1.234 189 C CB 1.612 29.353 27.740 0.002 0.000 1.532 189 C HN -0.614 7.620 8.230 0.006 0.000 0.483 190 L N 1.960 123.184 121.223 0.003 0.000 1.970 190 L HA -0.036 4.307 4.340 0.004 0.000 0.212 190 L C -0.389 176.483 176.870 0.003 0.000 1.071 190 L CA 1.799 56.641 54.840 0.003 0.000 0.751 190 L CB 0.193 42.253 42.059 0.002 0.000 0.889 190 L HN 0.134 8.366 8.230 0.002 0.000 0.432 191 L N -2.378 118.846 121.223 0.002 0.000 2.375 191 L HA 0.153 4.495 4.340 0.002 0.000 0.268 191 L C -0.171 176.700 176.870 0.001 0.000 1.058 191 L CA -0.847 53.994 54.840 0.002 0.000 0.803 191 L CB 0.104 42.164 42.059 0.001 0.000 1.212 191 L HN -0.278 7.952 8.230 0.001 0.000 0.451 192 L N 0.000 121.224 121.223 0.001 0.000 2.949 192 L HA 0.000 4.340 4.340 0.001 0.000 0.249 192 L CA 0.000 54.840 54.840 0.001 0.000 0.813 192 L CB 0.000 42.060 42.059 0.001 0.000 0.961 192 L HN 0.000 8.231 8.230 0.001 0.000 0.502