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 1tu2_3_B DATA FIRST_RESID 1 DATA SEQUENCE YPFWAQQTYP ETPREPTGRI VCANCHLAAK PTEVEVPQSV LPDTVFKAVV DATA SEQUENCE KIPYDTSVQQ VGADGSKVGL NVGAVLMLPE GFKIAPEDRI PEELKEEIGD DATA SEQUENCE VYFQPYGEDK DNIVIVGPLP GEQYQEIVFP VLSPNPANDK NIHFGKYSVH DATA SEQUENCE VGGNRGRGQV YPTGEKSNNN LYSAAATGTI SKIAKQEGED GSVKYLVDIK DATA SEQUENCE TESGEVVSDT IPAGPELIVS EGQAVTAGDA LTNNPNVGGF GQLDAEIVLQ DATA SEQUENCE DANR 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 Y HA 0.000 4.629 4.550 0.131 0.000 0.201 1 Y C 0.000 176.010 175.900 0.183 0.000 1.272 1 Y CA 0.000 58.176 58.100 0.128 0.000 1.940 1 Y CB 0.000 38.324 38.460 -0.227 0.000 1.050 2 P HA -0.278 4.311 4.420 0.282 0.000 0.216 2 P C 0.260 177.766 177.300 0.344 0.000 1.150 2 P CA 1.953 65.233 63.100 0.301 0.000 0.843 2 P CB 0.444 32.291 31.700 0.245 0.000 0.787 3 F N -2.745 117.262 119.950 0.095 0.000 2.171 3 F HA -0.224 4.333 4.527 0.051 0.000 0.300 3 F C 1.061 176.924 175.800 0.106 0.000 1.090 3 F CA 2.773 60.780 58.000 0.013 0.000 1.293 3 F CB -0.418 38.485 39.000 -0.161 0.000 1.013 3 F HN -0.014 8.467 8.300 0.340 0.023 0.486 4 W N -1.729 119.619 121.300 0.080 0.000 2.355 4 W HA -0.413 4.095 4.660 -0.253 0.000 0.309 4 W C 1.864 178.411 176.519 0.046 0.000 1.206 4 W CA 2.944 60.269 57.345 -0.035 0.000 1.284 4 W CB -0.998 28.527 29.460 0.108 0.000 1.145 4 W HN -0.722 7.535 8.180 0.128 0.000 0.502 5 A N -2.238 120.833 122.820 0.418 0.000 1.917 5 A HA -0.533 4.137 4.320 0.584 0.000 0.219 5 A C 2.276 180.110 177.584 0.417 0.000 1.182 5 A CA 3.202 55.512 52.037 0.454 0.000 0.633 5 A CB -0.844 18.370 19.000 0.358 0.000 0.819 5 A HN -0.529 7.882 8.150 0.434 0.000 0.448 6 Q N -2.312 117.611 119.800 0.205 0.000 2.020 6 Q HA -0.459 3.434 4.340 -0.745 0.000 0.202 6 Q C 3.524 179.400 176.000 -0.206 0.000 0.982 6 Q CA 3.031 58.704 55.803 -0.217 0.000 0.838 6 Q CB -0.066 28.599 28.738 -0.122 0.000 0.899 6 Q HN -0.032 8.324 8.270 0.257 0.068 0.423 7 Q N -1.009 118.637 119.800 -0.257 0.000 2.181 7 Q HA -0.253 3.933 4.340 -0.257 0.000 0.205 7 Q C 1.636 177.534 176.000 -0.170 0.000 0.980 7 Q CA 2.687 58.326 55.803 -0.274 0.000 0.862 7 Q CB 0.385 28.892 28.738 -0.385 0.000 0.905 7 Q HN -0.006 8.001 8.270 -0.322 0.071 0.429 8 T N -3.107 111.363 114.554 -0.139 0.000 3.337 8 T HA 0.131 4.300 4.350 -0.303 0.000 0.299 8 T C -1.086 173.195 174.700 -0.698 0.000 0.998 8 T CA 0.231 62.108 62.100 -0.372 0.000 0.948 8 T CB 0.755 69.358 68.868 -0.442 0.000 1.170 8 T HN -0.540 7.674 8.240 -0.004 0.023 0.508 9 Y N -1.224 119.100 120.300 0.042 0.000 2.712 9 Y HA 0.417 5.004 4.550 0.061 0.000 0.287 9 Y C -2.334 173.665 175.900 0.164 0.000 0.944 9 Y CA -2.609 55.552 58.100 0.102 0.000 1.122 9 Y CB -0.219 38.327 38.460 0.143 0.000 1.182 9 Y HN -0.347 8.021 8.280 0.147 0.000 0.632 10 P HA -0.160 4.113 4.420 -0.245 0.000 0.218 10 P C -0.393 177.072 177.300 0.275 0.000 1.148 10 P CA 1.390 64.520 63.100 0.050 0.000 0.822 10 P CB 0.336 31.995 31.700 -0.067 0.000 0.784 11 E N -4.816 115.508 120.200 0.205 0.000 2.548 11 E HA 0.073 4.536 4.350 0.189 0.000 0.206 11 E C -0.627 176.068 176.600 0.158 0.000 1.005 11 E CA -0.400 56.102 56.400 0.170 0.000 0.951 11 E CB 0.573 30.332 29.700 0.099 0.000 1.035 11 E HN -0.187 8.252 8.360 0.160 0.017 0.470 12 T N 0.177 114.859 114.554 0.214 0.000 3.866 12 T HA 0.360 4.758 4.350 0.080 0.000 0.241 12 T C -1.701 173.060 174.700 0.102 0.000 1.017 12 T CA -1.747 60.439 62.100 0.144 0.000 1.300 12 T CB 0.399 69.367 68.868 0.167 0.000 0.968 12 T HN -0.581 7.729 8.240 0.309 0.116 0.595 13 P HA -0.005 4.347 4.420 -0.113 0.000 0.224 13 P C -1.446 175.762 177.300 -0.153 0.000 1.157 13 P CA 0.998 64.024 63.100 -0.124 0.000 0.799 13 P CB 0.676 32.142 31.700 -0.390 0.000 0.809 14 R N -0.189 120.235 120.500 -0.126 0.000 2.369 14 R HA 0.136 4.499 4.340 -0.139 -0.106 0.310 14 R C -0.589 175.650 176.300 -0.103 0.000 1.141 14 R CA -0.950 55.066 56.100 -0.141 0.000 1.116 14 R CB -0.015 30.166 30.300 -0.198 0.000 1.135 14 R HN -0.405 7.805 8.270 -0.101 0.000 0.529 15 E N 6.256 126.402 120.200 -0.091 0.000 2.436 15 E HA -0.066 4.263 4.350 -0.035 0.000 0.262 15 E C -0.049 176.520 176.600 -0.051 0.000 1.063 15 E CA -0.887 55.479 56.400 -0.058 0.000 0.944 15 E CB 0.021 29.685 29.700 -0.060 0.000 0.950 15 E HN 0.062 8.358 8.360 -0.107 0.000 0.444 16 P HA -0.149 4.250 4.420 -0.035 0.000 0.223 16 P C -0.227 177.056 177.300 -0.028 0.000 1.144 16 P CA 1.840 64.924 63.100 -0.027 0.000 0.783 16 P CB -0.004 31.689 31.700 -0.011 0.000 0.771 17 T N -7.314 107.224 114.554 -0.026 0.000 3.155 17 T HA -0.121 4.221 4.350 -0.014 0.000 0.264 17 T C 1.439 176.123 174.700 -0.026 0.000 1.160 17 T CA 0.224 62.312 62.100 -0.020 0.000 1.075 17 T CB -0.490 68.369 68.868 -0.015 0.000 0.921 17 T HN -0.622 7.573 8.240 -0.026 0.029 0.533 18 G N 2.192 110.961 108.800 -0.052 0.000 2.179 18 G HA2 -0.475 3.401 3.960 -0.141 0.000 0.260 18 G HA3 -0.475 3.462 3.960 -0.038 0.000 0.260 18 G C -0.924 173.948 174.900 -0.047 0.000 0.977 18 G CA 0.034 45.091 45.100 -0.072 0.000 0.641 18 G HN 0.249 8.318 8.290 -0.063 0.183 0.533 19 R N -0.865 119.617 120.500 -0.029 0.000 2.532 19 R HA 0.185 4.734 4.340 0.046 -0.182 0.272 19 R C -0.895 175.391 176.300 -0.023 0.000 1.032 19 R CA -0.825 55.278 56.100 0.006 0.000 1.089 19 R CB 1.834 32.139 30.300 0.010 0.000 1.098 19 R HN -0.868 7.311 8.270 -0.035 0.070 0.526 20 I N -0.714 119.871 120.570 0.026 0.000 2.437 20 I HA 0.488 4.791 4.170 -0.103 -0.195 0.298 20 I C 1.852 177.846 176.117 -0.205 0.000 0.984 20 I CA -1.430 59.837 61.300 -0.055 0.000 1.214 20 I CB 2.033 40.085 38.000 0.086 0.000 1.365 20 I HN -0.390 8.045 8.210 0.134 -0.144 0.469 21 V N 2.550 122.289 119.914 -0.292 0.000 2.568 21 V HA -0.338 3.557 4.120 -0.375 0.000 0.253 21 V C 1.547 177.402 176.094 -0.398 0.000 1.072 21 V CA 3.596 65.645 62.300 -0.419 0.000 1.084 21 V CB -0.328 31.063 31.823 -0.721 0.000 0.676 21 V HN 0.126 8.158 8.190 -0.263 0.000 0.469 22 C N 0.021 119.041 119.300 -0.466 0.000 2.375 22 C HA -0.448 3.868 4.460 -0.241 0.000 0.274 22 C C 2.053 176.725 174.990 -0.530 0.000 1.190 22 C CA 3.935 62.612 59.018 -0.567 0.000 1.775 22 C CB -2.639 24.308 27.740 -1.322 0.000 2.067 22 C HN -0.053 7.904 8.230 -0.433 0.014 0.463 23 A N -0.081 122.385 122.820 -0.590 0.000 1.927 23 A HA -0.328 4.086 4.320 -0.121 -0.167 0.220 23 A C 1.753 179.246 177.584 -0.152 0.000 1.185 23 A CA 3.156 55.063 52.037 -0.217 0.000 0.639 23 A CB -0.714 18.266 19.000 -0.033 0.000 0.820 23 A HN 0.105 7.843 8.150 -0.679 0.005 0.451 24 N N -2.149 116.439 118.700 -0.186 0.000 2.096 24 N HA -0.305 4.367 4.740 -0.113 0.000 0.195 24 N C 1.198 176.614 175.510 -0.156 0.000 1.017 24 N CA 2.614 55.574 53.050 -0.150 0.000 0.870 24 N CB -0.450 37.938 38.487 -0.166 0.000 1.024 24 N HN -0.205 7.928 8.380 -0.233 0.107 0.434 25 C N -3.420 115.754 119.300 -0.210 0.000 2.378 25 C HA 0.029 4.338 4.460 -0.251 0.000 0.389 25 C C -0.245 174.536 174.990 -0.348 0.000 1.394 25 C CA 0.891 59.733 59.018 -0.295 0.000 2.275 25 C CB 0.762 28.278 27.740 -0.374 0.000 2.567 25 C HN -0.403 7.684 8.230 -0.219 0.012 0.556 26 H N 3.415 122.387 119.070 -0.163 0.000 3.291 26 H HA 0.155 4.822 4.556 -0.093 -0.167 0.256 26 H C 0.682 175.979 175.328 -0.052 0.000 1.315 26 H CA 0.709 56.695 56.048 -0.102 0.000 1.521 26 H CB -2.096 27.614 29.762 -0.087 0.000 1.621 26 H HN -0.022 8.102 8.280 -0.261 0.000 0.498 27 L N 3.237 124.467 121.223 0.011 0.000 2.068 27 L HA -0.022 4.324 4.340 0.010 0.000 0.204 27 L C 1.096 178.001 176.870 0.058 0.000 1.076 27 L CA 1.456 56.303 54.840 0.011 0.000 0.753 27 L CB 0.561 42.599 42.059 -0.035 0.000 0.910 27 L HN -0.460 8.040 8.230 -0.036 -0.292 0.439 28 A N -0.912 121.944 122.820 0.060 0.000 2.507 28 A HA -0.094 4.250 4.320 0.040 0.000 0.235 28 A C -1.375 176.262 177.584 0.089 0.000 1.070 28 A CA 0.110 52.182 52.037 0.058 0.000 0.768 28 A CB 0.880 19.906 19.000 0.043 0.000 1.011 28 A HN -0.345 7.835 8.150 0.049 0.000 0.502 29 A N 1.654 124.509 122.820 0.059 0.000 2.318 29 A HA 0.712 5.261 4.320 0.076 -0.183 0.317 29 A C -0.839 176.753 177.584 0.013 0.000 1.159 29 A CA -1.093 50.973 52.037 0.047 0.000 0.799 29 A CB 1.923 20.943 19.000 0.033 0.000 1.194 29 A HN 0.315 8.489 8.150 0.041 0.000 0.479 30 K N 2.048 122.437 120.400 -0.019 0.000 2.480 30 K HA 0.517 4.832 4.320 -0.008 0.000 0.258 30 K C -2.932 173.630 176.600 -0.063 0.000 0.990 30 K CA -3.301 52.973 56.287 -0.021 0.000 0.857 30 K CB 2.714 35.217 32.500 0.006 0.000 1.384 30 K HN 0.321 8.422 8.250 -0.044 0.122 0.446 31 P HA 0.207 4.577 4.420 -0.083 0.000 0.278 31 P C -1.387 175.868 177.300 -0.075 0.000 1.238 31 P CA -0.439 62.624 63.100 -0.061 0.000 0.794 31 P CB 0.780 32.462 31.700 -0.029 0.000 0.955 32 T N 2.365 116.856 114.554 -0.106 0.000 2.876 32 T HA 0.529 4.947 4.350 -0.050 -0.099 0.289 32 T C -1.238 173.428 174.700 -0.057 0.000 1.014 32 T CA -0.386 61.661 62.100 -0.089 0.000 0.986 32 T CB 3.042 71.812 68.868 -0.164 0.000 1.021 32 T HN 0.140 8.308 8.240 -0.121 0.000 0.458 33 E N 6.086 126.273 120.200 -0.021 0.000 2.235 33 E HA 0.395 4.729 4.350 -0.027 0.000 0.265 33 E C -2.086 174.512 176.600 -0.004 0.000 0.940 33 E CA -1.903 54.489 56.400 -0.014 0.000 0.819 33 E CB 3.094 32.795 29.700 0.001 0.000 1.206 33 E HN 0.511 8.869 8.360 -0.003 0.000 0.409 34 V N 1.493 121.401 119.914 -0.009 0.000 2.655 34 V HA 0.499 4.805 4.120 0.026 -0.171 0.301 34 V C -0.910 175.187 176.094 0.004 0.000 1.082 34 V CA -1.363 60.938 62.300 0.000 0.000 0.899 34 V CB 2.426 34.233 31.823 -0.027 0.000 1.014 34 V HN 0.240 8.420 8.190 -0.017 0.000 0.429 35 E N 7.789 128.006 120.200 0.028 0.000 2.214 35 E HA 0.284 4.641 4.350 0.012 0.000 0.274 35 E C -1.646 174.982 176.600 0.047 0.000 0.977 35 E CA -0.966 55.451 56.400 0.029 0.000 0.827 35 E CB 2.309 32.031 29.700 0.037 0.000 1.130 35 E HN 0.091 8.478 8.360 0.045 0.000 0.394 36 V N 1.293 121.229 119.914 0.037 0.000 3.012 36 V HA 0.222 4.416 4.120 0.124 0.000 0.307 36 V C -2.074 174.033 176.094 0.022 0.000 1.166 36 V CA -3.226 59.109 62.300 0.059 0.000 0.974 36 V CB 4.024 35.863 31.823 0.027 0.000 1.040 36 V HN 0.141 8.342 8.190 0.018 0.000 0.428 37 P HA 0.038 4.461 4.420 0.004 0.000 0.270 37 P C -0.538 176.724 177.300 -0.063 0.000 1.223 37 P CA -0.684 62.400 63.100 -0.026 0.000 0.785 37 P CB 1.135 32.807 31.700 -0.046 0.000 0.923 38 Q N -0.337 119.438 119.800 -0.042 0.000 2.084 38 Q HA -0.245 4.070 4.340 -0.041 0.000 0.202 38 Q C 0.399 176.366 176.000 -0.055 0.000 0.978 38 Q CA 2.488 58.267 55.803 -0.041 0.000 0.844 38 Q CB 0.476 29.200 28.738 -0.025 0.000 0.898 38 Q HN 0.383 8.637 8.270 -0.026 0.000 0.426 39 S N -5.707 109.955 115.700 -0.063 0.000 2.607 39 S HA 0.476 5.033 4.470 -0.055 -0.119 0.273 39 S C -1.470 173.078 174.600 -0.087 0.000 1.148 39 S CA -1.758 56.408 58.200 -0.057 0.000 0.833 39 S CB 3.282 66.471 63.200 -0.017 0.000 1.130 39 S HN -0.776 7.499 8.310 -0.057 0.000 0.470 40 V N -5.306 114.567 119.914 -0.068 0.000 3.147 40 V HA 0.423 4.516 4.120 -0.045 0.000 0.306 40 V C -2.414 173.697 176.094 0.028 0.000 1.209 40 V CA -1.806 60.453 62.300 -0.068 0.000 1.023 40 V CB 2.717 34.399 31.823 -0.235 0.000 1.059 40 V HN 0.221 8.400 8.190 -0.018 0.000 0.435 41 L N 1.389 122.641 121.223 0.049 0.000 2.360 41 L HA 0.757 5.317 4.340 0.112 -0.153 0.271 41 L C -1.268 175.655 176.870 0.089 0.000 1.057 41 L CA -3.994 50.896 54.840 0.084 0.000 0.803 41 L CB 0.207 42.303 42.059 0.062 0.000 1.207 41 L HN 0.304 8.560 8.230 0.043 0.000 0.445 42 P HA -0.177 4.434 4.420 -0.014 -0.199 0.266 42 P C 0.224 177.538 177.300 0.024 0.000 1.180 42 P CA 0.578 63.708 63.100 0.050 0.000 0.765 42 P CB 0.243 31.996 31.700 0.089 0.000 0.806 43 D N -0.139 120.247 120.400 -0.022 0.000 2.697 43 D HA -0.420 4.291 4.640 -0.029 -0.089 0.235 43 D C -1.082 175.235 176.300 0.029 0.000 1.167 43 D CA 1.608 55.602 54.000 -0.010 0.000 0.656 43 D CB -0.630 40.165 40.800 -0.009 0.000 1.025 43 D HN 0.047 8.371 8.370 -0.077 0.000 0.419 44 T N -5.352 109.242 114.554 0.066 0.000 2.909 44 T HA 0.292 4.683 4.350 0.068 0.000 0.299 44 T C -1.506 173.288 174.700 0.157 0.000 1.073 44 T CA -2.127 60.032 62.100 0.099 0.000 0.999 44 T CB 3.257 72.191 68.868 0.110 0.000 1.098 44 T HN -0.106 8.179 8.240 0.074 0.000 0.477 45 V N 3.884 123.869 119.914 0.119 0.000 2.607 45 V HA 0.437 4.759 4.120 0.050 -0.173 0.289 45 V C -0.074 176.137 176.094 0.196 0.000 1.053 45 V CA -0.863 61.489 62.300 0.087 0.000 0.996 45 V CB 0.268 32.099 31.823 0.014 0.000 0.995 45 V HN 0.492 8.735 8.190 0.089 0.000 0.476 46 F N 5.152 125.130 119.950 0.047 0.000 2.726 46 F HA 0.597 5.152 4.527 0.046 0.000 0.324 46 F C -2.319 173.512 175.800 0.051 0.000 1.140 46 F CA -1.999 56.032 58.000 0.052 0.000 0.964 46 F CB 2.858 41.897 39.000 0.065 0.000 1.399 46 F HN 0.523 8.621 8.300 -0.338 0.000 0.491 47 K N -2.082 118.432 120.400 0.190 0.000 2.413 47 K HA 0.579 5.008 4.320 -0.109 -0.175 0.257 47 K C -0.975 175.738 176.600 0.188 0.000 0.946 47 K CA -1.870 54.453 56.287 0.060 0.000 0.823 47 K CB 1.629 34.182 32.500 0.089 0.000 1.109 47 K HN 0.003 8.491 8.250 0.397 0.000 0.427 48 A N 6.066 128.948 122.820 0.103 0.000 2.294 48 A HA 0.280 4.718 4.320 0.197 0.000 0.316 48 A C -1.764 175.923 177.584 0.172 0.000 1.359 48 A CA -0.936 51.189 52.037 0.145 0.000 0.956 48 A CB 0.941 19.965 19.000 0.040 0.000 1.155 48 A HN 0.406 8.539 8.150 -0.029 0.000 0.544 49 V N 6.786 126.794 119.914 0.157 0.000 2.432 49 V HA 0.668 5.102 4.120 0.248 -0.166 0.275 49 V C -2.010 174.179 176.094 0.158 0.000 1.043 49 V CA -1.933 60.473 62.300 0.176 0.000 0.925 49 V CB 1.815 33.715 31.823 0.128 0.000 0.985 49 V HN -0.408 7.862 8.190 0.134 0.000 0.466 50 V N 9.777 129.823 119.914 0.220 0.000 2.581 50 V HA 0.345 4.642 4.120 0.095 -0.121 0.303 50 V C -1.548 174.633 176.094 0.145 0.000 1.041 50 V CA -1.051 61.347 62.300 0.164 0.000 0.907 50 V CB 2.766 34.725 31.823 0.227 0.000 0.994 50 V HN 0.876 9.248 8.190 0.303 0.000 0.442 51 K N 4.528 124.983 120.400 0.091 0.000 2.259 51 K HA 0.510 4.894 4.320 0.106 0.000 0.249 51 K C -1.124 175.521 176.600 0.075 0.000 0.942 51 K CA -1.452 54.885 56.287 0.083 0.000 0.816 51 K CB 3.208 35.741 32.500 0.055 0.000 1.155 51 K HN 0.706 8.878 8.250 0.063 0.116 0.428 52 I N 1.170 121.800 120.570 0.100 0.000 2.926 52 I HA 0.496 4.705 4.170 0.064 0.000 0.295 52 I C -2.178 174.044 176.117 0.174 0.000 1.463 52 I CA -2.460 58.906 61.300 0.110 0.000 0.892 52 I CB 0.896 38.972 38.000 0.127 0.000 1.874 52 I HN -0.097 8.179 8.210 0.111 0.000 0.620 53 P HA 0.334 4.786 4.420 0.053 0.000 0.276 53 P C -1.996 175.436 177.300 0.219 0.000 1.252 53 P CA -1.166 61.994 63.100 0.101 0.000 0.802 53 P CB 0.489 32.204 31.700 0.026 0.000 1.035 54 Y N -3.402 116.905 120.300 0.012 0.000 2.620 54 Y HA 0.137 4.692 4.550 0.008 0.000 0.331 54 Y C -2.572 173.336 175.900 0.013 0.000 1.173 54 Y CA -1.106 57.001 58.100 0.012 0.000 1.076 54 Y CB 0.924 39.394 38.460 0.018 0.000 1.336 54 Y HN -0.495 7.736 8.280 -0.308 -0.136 0.459 55 D N 1.327 121.762 120.400 0.059 0.000 2.402 55 D HA -0.074 4.511 4.640 -0.092 0.000 0.268 55 D C 1.505 177.773 176.300 -0.053 0.000 1.294 55 D CA 0.451 54.438 54.000 -0.023 0.000 0.945 55 D CB 0.113 40.941 40.800 0.045 0.000 1.112 55 D HN 0.033 8.499 8.370 0.159 0.000 0.517 56 T N 4.655 119.065 114.554 -0.241 0.000 2.915 56 T HA -0.248 3.966 4.350 -0.226 0.000 0.269 56 T C 0.946 175.661 174.700 0.025 0.000 1.071 56 T CA 2.270 64.252 62.100 -0.195 0.000 1.132 56 T CB -0.276 68.450 68.868 -0.238 0.000 0.878 56 T HN 0.065 8.155 8.240 -0.251 0.000 0.479 57 S N 2.188 117.897 115.700 0.016 0.000 2.442 57 S HA -0.112 4.379 4.470 0.035 0.000 0.236 57 S C 0.806 175.451 174.600 0.075 0.000 1.007 57 S CA 1.614 59.838 58.200 0.040 0.000 0.965 57 S CB -0.104 63.110 63.200 0.023 0.000 0.773 57 S HN -0.475 8.026 8.310 -0.013 -0.198 0.504 58 V N -0.921 119.062 119.914 0.115 0.000 3.332 58 V HA -0.147 4.022 4.120 0.083 0.000 0.305 58 V C -1.141 175.020 176.094 0.113 0.000 1.114 58 V CA 1.204 63.573 62.300 0.115 0.000 1.194 58 V CB 0.436 32.344 31.823 0.142 0.000 1.027 58 V HN -0.832 7.402 8.190 0.132 0.034 0.492 59 Q N -0.692 119.156 119.800 0.080 0.000 2.456 59 Q HA 0.242 4.632 4.340 0.083 0.000 0.283 59 Q C -1.249 174.783 176.000 0.053 0.000 1.084 59 Q CA -1.056 54.789 55.803 0.070 0.000 0.801 59 Q CB 3.323 32.096 28.738 0.059 0.000 1.434 59 Q HN -0.260 8.052 8.270 0.069 0.000 0.419 60 Q N -1.178 118.649 119.800 0.045 0.000 2.359 60 Q HA 0.429 4.790 4.340 0.034 0.000 0.275 60 Q C -1.536 174.491 176.000 0.044 0.000 1.082 60 Q CA -2.249 53.576 55.803 0.036 0.000 0.849 60 Q CB 3.433 32.184 28.738 0.020 0.000 1.377 60 Q HN 0.707 9.007 8.270 0.050 0.000 0.452 61 V N 1.118 121.060 119.914 0.046 0.000 2.508 61 V HA 0.000 4.251 4.120 0.051 -0.100 0.281 61 V C 0.602 176.733 176.094 0.062 0.000 1.041 61 V CA 1.947 64.279 62.300 0.054 0.000 1.016 61 V CB -0.034 31.824 31.823 0.058 0.000 0.984 61 V HN 0.647 8.862 8.190 0.042 0.000 0.478 62 G N 4.956 113.796 108.800 0.067 0.000 2.653 62 G HA2 0.051 4.062 3.960 0.085 0.000 0.265 62 G HA3 0.051 4.059 3.960 0.080 0.000 0.265 62 G C 0.298 175.257 174.900 0.097 0.000 1.237 62 G CA -1.148 44.001 45.100 0.082 0.000 0.946 62 G HN 0.451 8.778 8.290 0.062 0.000 0.522 63 A N -0.459 122.435 122.820 0.123 0.000 1.940 63 A HA -0.201 4.367 4.320 0.159 -0.153 0.219 63 A C 0.799 178.452 177.584 0.115 0.000 1.176 63 A CA 2.528 54.653 52.037 0.146 0.000 0.631 63 A CB -0.061 19.049 19.000 0.183 0.000 0.814 63 A HN 0.513 8.740 8.150 0.130 0.000 0.446 64 D N -6.861 113.594 120.400 0.092 0.000 2.349 64 D HA -0.104 4.579 4.640 0.071 0.000 0.224 64 D C 0.796 177.131 176.300 0.058 0.000 1.029 64 D CA -0.276 53.767 54.000 0.071 0.000 0.879 64 D CB -0.022 40.815 40.800 0.061 0.000 0.906 64 D HN -0.115 8.293 8.370 0.091 0.017 0.528 65 G N -0.942 107.894 108.800 0.060 0.000 2.376 65 G HA2 -0.307 3.682 3.960 0.049 0.000 0.208 65 G HA3 -0.307 3.676 3.960 0.040 0.000 0.208 65 G C -0.370 174.557 174.900 0.044 0.000 1.032 65 G CA -0.366 44.763 45.100 0.048 0.000 0.641 65 G HN -0.434 7.850 8.290 0.070 0.048 0.503 66 S N 1.729 117.456 115.700 0.045 0.000 2.580 66 S HA -0.143 4.349 4.470 0.036 0.000 0.266 66 S C -0.771 173.856 174.600 0.045 0.000 1.354 66 S CA 0.727 58.952 58.200 0.041 0.000 1.008 66 S CB 0.882 64.106 63.200 0.041 0.000 0.898 66 S HN -0.497 8.021 8.310 0.047 -0.180 0.555 67 K N 1.489 121.914 120.400 0.042 0.000 2.156 67 K HA 0.692 5.215 4.320 0.048 -0.175 0.271 67 K C -0.481 176.148 176.600 0.048 0.000 0.995 67 K CA -0.406 55.908 56.287 0.045 0.000 0.890 67 K CB 1.497 34.022 32.500 0.042 0.000 1.073 67 K HN 0.208 8.481 8.250 0.038 0.000 0.454 68 V N 2.135 122.081 119.914 0.054 0.000 3.188 68 V HA 0.241 4.394 4.120 0.055 0.000 0.305 68 V C -0.675 175.458 176.094 0.064 0.000 1.232 68 V CA -1.607 60.727 62.300 0.058 0.000 1.043 68 V CB 5.069 36.929 31.823 0.061 0.000 1.068 68 V HN 0.482 8.704 8.190 0.054 0.000 0.439 69 G N -0.020 108.825 108.800 0.074 0.000 2.647 69 G HA2 0.023 4.045 3.960 0.104 0.000 0.271 69 G HA3 0.023 4.048 3.960 0.109 0.000 0.271 69 G C -1.015 173.932 174.900 0.079 0.000 1.300 69 G CA -0.139 45.017 45.100 0.095 0.000 0.997 69 G HN 0.055 8.387 8.290 0.070 0.000 0.533 70 L N -1.385 119.885 121.223 0.079 0.000 2.358 70 L HA 0.248 4.587 4.340 -0.002 0.000 0.268 70 L C -0.400 176.500 176.870 0.050 0.000 1.032 70 L CA -0.930 53.905 54.840 -0.007 0.000 0.805 70 L CB 2.170 44.078 42.059 -0.251 0.000 1.253 70 L HN 0.233 8.554 8.230 0.151 0.000 0.452 71 N N -0.987 117.736 118.700 0.038 0.000 2.457 71 N HA 0.319 5.270 4.740 0.121 -0.138 0.290 71 N C -1.980 173.563 175.510 0.055 0.000 1.232 71 N CA -0.478 52.624 53.050 0.087 0.000 0.852 71 N CB 3.787 42.346 38.487 0.120 0.000 1.313 71 N HN 0.055 8.444 8.380 0.015 0.000 0.522 72 V N -2.149 117.822 119.914 0.095 0.000 2.962 72 V HA 0.517 4.795 4.120 0.035 -0.137 0.313 72 V C -1.546 174.596 176.094 0.079 0.000 1.099 72 V CA -2.353 59.996 62.300 0.082 0.000 0.971 72 V CB 4.294 36.203 31.823 0.143 0.000 1.028 72 V HN 0.775 8.931 8.190 0.121 0.106 0.430 73 G N 1.933 110.778 108.800 0.074 0.000 2.645 73 G HA2 0.832 4.899 3.960 0.066 0.000 0.292 73 G HA3 0.832 4.847 3.960 0.092 0.000 0.292 73 G C -3.250 171.728 174.900 0.130 0.000 1.415 73 G CA -0.251 44.901 45.100 0.088 0.000 0.785 73 G HN -0.094 8.233 8.290 0.062 0.000 0.483 74 A N -2.666 120.255 122.820 0.169 0.000 2.566 74 A HA 0.609 5.136 4.320 0.201 -0.087 0.290 74 A C -3.292 174.407 177.584 0.192 0.000 1.071 74 A CA -0.363 51.799 52.037 0.209 0.000 0.658 74 A CB 3.866 23.037 19.000 0.284 0.000 1.285 74 A HN 0.483 8.726 8.150 0.154 0.000 0.427 75 V N -0.876 119.112 119.914 0.124 0.000 2.638 75 V HA 0.507 4.670 4.120 0.073 0.000 0.306 75 V C -2.892 173.153 176.094 -0.081 0.000 1.052 75 V CA -1.613 60.705 62.300 0.030 0.000 0.885 75 V CB 4.217 36.019 31.823 -0.035 0.000 0.999 75 V HN 0.201 8.469 8.190 0.130 0.000 0.424 76 L N 8.815 129.921 121.223 -0.194 0.000 2.356 76 L HA 0.592 4.771 4.340 -0.268 0.000 0.277 76 L C -2.446 174.297 176.870 -0.211 0.000 0.996 76 L CA -1.152 53.487 54.840 -0.334 0.000 0.822 76 L CB 4.046 45.625 42.059 -0.800 0.000 1.256 76 L HN 0.484 8.637 8.230 -0.128 0.000 0.413 77 M N 5.804 125.318 119.600 -0.144 0.000 2.114 77 M HA 0.225 4.648 4.480 -0.096 0.000 0.332 77 M C -1.681 174.562 176.300 -0.096 0.000 1.014 77 M CA -0.370 54.876 55.300 -0.090 0.000 0.956 77 M CB 1.131 33.710 32.600 -0.035 0.000 1.551 77 M HN 0.346 8.558 8.290 -0.130 0.000 0.427 78 L N 3.793 124.954 121.223 -0.103 0.000 2.313 78 L HA 0.540 4.738 4.340 -0.237 0.000 0.268 78 L C -2.065 174.716 176.870 -0.149 0.000 1.010 78 L CA -3.189 51.547 54.840 -0.173 0.000 0.814 78 L CB 0.398 42.379 42.059 -0.131 0.000 1.304 78 L HN -0.044 8.142 8.230 -0.073 0.000 0.441 79 P HA 0.098 4.479 4.420 -0.066 0.000 0.273 79 P C -0.875 176.440 177.300 0.023 0.000 1.250 79 P CA -1.031 61.985 63.100 -0.140 0.000 0.793 79 P CB 0.650 32.135 31.700 -0.359 0.000 1.011 80 E N 0.094 120.309 120.200 0.025 0.000 2.398 80 E HA -0.206 4.174 4.350 0.050 0.000 0.263 80 E C 1.031 177.661 176.600 0.050 0.000 1.046 80 E CA 1.665 58.089 56.400 0.040 0.000 0.908 80 E CB 0.342 30.052 29.700 0.017 0.000 0.963 80 E HN 0.122 8.486 8.360 0.007 0.000 0.431 81 G N 2.217 111.027 108.800 0.017 0.000 2.420 81 G HA2 -0.327 3.579 3.960 -0.090 0.000 0.221 81 G HA3 -0.327 3.548 3.960 -0.142 0.000 0.221 81 G C -0.513 174.338 174.900 -0.082 0.000 1.117 81 G CA -0.381 44.675 45.100 -0.074 0.000 0.657 81 G HN 0.496 8.797 8.290 0.019 0.000 0.512 82 F N 3.896 123.787 119.950 -0.099 0.000 2.410 82 F HA 0.079 4.583 4.527 -0.038 0.000 0.334 82 F C -1.058 174.710 175.800 -0.054 0.000 1.134 82 F CA 0.994 58.959 58.000 -0.059 0.000 1.227 82 F CB 1.427 40.402 39.000 -0.042 0.000 1.194 82 F HN -0.869 7.607 8.300 0.434 0.084 0.571 83 K N -3.280 117.188 120.400 0.112 0.000 2.672 83 K HA 0.339 4.686 4.320 0.046 0.000 0.295 83 K C -1.923 174.667 176.600 -0.017 0.000 1.042 83 K CA -1.409 54.900 56.287 0.038 0.000 0.869 83 K CB 3.101 35.613 32.500 0.019 0.000 1.541 83 K HN -0.317 7.997 8.250 0.106 0.000 0.396 84 I N 0.102 120.657 120.570 -0.026 0.000 2.775 84 I HA -0.169 3.917 4.170 -0.140 0.000 0.290 84 I C -0.044 176.038 176.117 -0.058 0.000 1.203 84 I CA 0.553 61.812 61.300 -0.069 0.000 1.433 84 I CB 0.616 38.590 38.000 -0.042 0.000 1.354 84 I HN 0.415 8.626 8.210 0.003 0.000 0.579 85 A N 8.801 131.566 122.820 -0.091 0.000 2.388 85 A HA 0.198 4.488 4.320 -0.051 0.000 0.257 85 A C -1.937 175.636 177.584 -0.019 0.000 1.095 85 A CA -1.776 50.225 52.037 -0.059 0.000 0.791 85 A CB -0.774 18.178 19.000 -0.079 0.000 1.029 85 A HN 0.103 8.167 8.150 -0.143 0.000 0.489 86 P HA 0.153 4.585 4.420 0.020 0.000 0.276 86 P C -0.260 177.049 177.300 0.015 0.000 1.261 86 P CA -1.119 61.987 63.100 0.010 0.000 0.800 86 P CB 0.900 32.604 31.700 0.007 0.000 1.066 87 E N -0.617 119.597 120.200 0.023 0.000 2.072 87 E HA -0.404 3.965 4.350 0.031 0.000 0.191 87 E C 1.830 178.441 176.600 0.018 0.000 0.985 87 E CA 3.540 59.955 56.400 0.025 0.000 0.801 87 E CB -0.459 29.257 29.700 0.026 0.000 0.750 87 E HN 0.347 8.721 8.360 0.024 0.000 0.452 88 D N -3.047 117.362 120.400 0.014 0.000 2.182 88 D HA -0.257 4.391 4.640 0.013 0.000 0.201 88 D C 0.667 176.975 176.300 0.012 0.000 0.986 88 D CA 2.395 56.402 54.000 0.012 0.000 0.847 88 D CB -1.033 39.772 40.800 0.009 0.000 0.942 88 D HN 0.383 8.761 8.370 0.013 0.000 0.467 89 R N -1.851 118.655 120.500 0.010 0.000 2.310 89 R HA 0.049 4.396 4.340 0.012 0.000 0.202 89 R C 0.111 176.418 176.300 0.012 0.000 0.933 89 R CA -0.879 55.227 56.100 0.010 0.000 1.054 89 R CB 0.312 30.615 30.300 0.005 0.000 0.985 89 R HN -0.731 7.525 8.270 0.009 0.019 0.489 90 I N 3.094 123.672 120.570 0.014 0.000 2.322 90 I HA 0.141 4.318 4.170 0.012 0.000 0.292 90 I C -2.334 173.796 176.117 0.022 0.000 1.060 90 I CA -2.279 59.032 61.300 0.017 0.000 1.309 90 I CB 0.642 38.656 38.000 0.023 0.000 1.415 90 I HN -0.537 7.510 8.210 0.015 0.172 0.492 91 P HA 0.197 4.630 4.420 0.021 0.000 0.275 91 P C 0.539 177.854 177.300 0.025 0.000 1.266 91 P CA -0.946 62.168 63.100 0.024 0.000 0.793 91 P CB 1.140 32.856 31.700 0.026 0.000 1.074 92 E N 0.051 120.265 120.200 0.023 0.000 2.106 92 E HA -0.396 3.969 4.350 0.024 0.000 0.192 92 E C 2.270 178.885 176.600 0.025 0.000 0.984 92 E CA 3.851 60.265 56.400 0.023 0.000 0.806 92 E CB -0.439 29.272 29.700 0.019 0.000 0.750 92 E HN 0.534 8.907 8.360 0.021 0.000 0.458 93 E N -0.520 119.695 120.200 0.025 0.000 2.051 93 E HA -0.259 4.105 4.350 0.025 0.000 0.192 93 E C 2.599 179.219 176.600 0.033 0.000 0.991 93 E CA 3.385 59.801 56.400 0.027 0.000 0.799 93 E CB -0.812 28.905 29.700 0.027 0.000 0.748 93 E HN 0.282 8.657 8.360 0.025 0.000 0.449 94 L N -0.755 120.489 121.223 0.035 0.000 2.093 94 L HA -0.115 4.251 4.340 0.044 0.000 0.208 94 L C 1.580 178.477 176.870 0.045 0.000 1.085 94 L CA 2.187 57.051 54.840 0.041 0.000 0.755 94 L CB -0.327 41.754 42.059 0.037 0.000 0.904 94 L HN -0.243 8.007 8.230 0.033 0.000 0.435 95 K N -0.750 119.674 120.400 0.040 0.000 2.026 95 K HA -0.438 3.913 4.320 0.051 0.000 0.208 95 K C 2.071 178.697 176.600 0.044 0.000 1.048 95 K CA 3.664 59.977 56.287 0.043 0.000 0.929 95 K CB -0.178 32.342 32.500 0.034 0.000 0.713 95 K HN 0.017 8.177 8.250 0.034 0.111 0.439 96 E N -2.764 117.458 120.200 0.037 0.000 2.150 96 E HA -0.261 4.111 4.350 0.036 0.000 0.193 96 E C 2.696 179.323 176.600 0.044 0.000 0.985 96 E CA 2.526 58.947 56.400 0.036 0.000 0.814 96 E CB -0.611 29.104 29.700 0.026 0.000 0.752 96 E HN -0.371 8.009 8.360 0.033 0.000 0.466 97 E N 0.010 120.239 120.200 0.048 0.000 2.077 97 E HA -0.287 4.092 4.350 0.048 0.000 0.193 97 E C 2.206 178.856 176.600 0.083 0.000 0.989 97 E CA 2.339 58.773 56.400 0.058 0.000 0.800 97 E CB -0.079 29.656 29.700 0.058 0.000 0.746 97 E HN -0.741 7.562 8.360 0.045 0.084 0.452 98 I N -8.354 112.268 120.570 0.087 0.000 3.176 98 I HA -0.250 3.991 4.170 0.118 0.000 0.275 98 I C 0.410 176.589 176.117 0.103 0.000 1.298 98 I CA 0.456 61.817 61.300 0.102 0.000 1.445 98 I CB -0.164 37.910 38.000 0.124 0.000 1.075 98 I HN -0.668 7.588 8.210 0.076 0.000 0.482 99 G N 1.216 110.078 108.800 0.103 0.000 2.596 99 G HA2 -0.496 3.517 3.960 0.088 0.000 0.304 99 G HA3 -0.496 3.595 3.960 0.218 0.000 0.304 99 G C -0.738 174.206 174.900 0.074 0.000 1.189 99 G CA 1.161 46.334 45.100 0.121 0.000 0.986 99 G HN -0.179 7.976 8.290 0.082 0.184 0.548 100 D N 2.143 122.582 120.400 0.064 0.000 2.992 100 D HA 0.127 4.763 4.640 -0.007 0.000 0.372 100 D C 0.163 176.417 176.300 -0.075 0.000 1.374 100 D CA -1.087 52.913 54.000 -0.000 0.000 0.769 100 D CB -0.700 40.109 40.800 0.015 0.000 1.215 100 D HN -0.282 8.168 8.370 0.133 0.000 0.473 101 V N -2.731 117.055 119.914 -0.213 0.000 3.385 101 V HA 0.132 4.078 4.120 -0.291 0.000 0.301 101 V C -1.404 174.488 176.094 -0.336 0.000 1.082 101 V CA -1.249 60.797 62.300 -0.423 0.000 1.085 101 V CB 0.805 32.129 31.823 -0.830 0.000 1.152 101 V HN -0.551 7.529 8.190 -0.183 0.000 0.465 102 Y N -3.796 116.139 120.300 -0.608 0.000 2.400 102 Y HA 0.280 4.644 4.550 -0.311 0.000 0.335 102 Y C -1.893 173.776 175.900 -0.385 0.000 1.066 102 Y CA -2.037 55.828 58.100 -0.391 0.000 1.285 102 Y CB -0.545 37.782 38.460 -0.222 0.000 1.103 102 Y HN -0.101 7.739 8.280 -0.734 0.000 0.490 103 F N 4.398 124.241 119.950 -0.177 0.000 2.495 103 F HA 0.218 4.745 4.527 -0.268 -0.161 0.365 103 F C 0.484 176.243 175.800 -0.069 0.000 1.090 103 F CA 0.246 58.147 58.000 -0.164 0.000 1.235 103 F CB 0.381 39.352 39.000 -0.049 0.000 1.119 103 F HN 0.031 8.169 8.300 -0.270 0.000 0.562 104 Q N 2.037 121.895 119.800 0.097 0.000 2.257 104 Q HA 0.525 4.947 4.340 0.137 0.000 0.262 104 Q C -2.033 174.070 176.000 0.171 0.000 0.997 104 Q CA -3.075 52.804 55.803 0.126 0.000 0.873 104 Q CB 1.141 29.937 28.738 0.096 0.000 1.312 104 Q HN 0.233 8.533 8.270 0.050 0.000 0.450 105 P HA 0.234 4.886 4.420 0.174 -0.128 0.274 105 P C -1.108 176.322 177.300 0.216 0.000 1.237 105 P CA -0.742 62.459 63.100 0.168 0.000 0.793 105 P CB 1.055 32.829 31.700 0.124 0.000 0.977 106 Y N 2.330 122.684 120.300 0.091 0.000 2.224 106 Y HA -0.303 4.317 4.550 0.115 0.000 0.289 106 Y C -0.434 175.526 175.900 0.100 0.000 1.146 106 Y CA 2.274 60.433 58.100 0.099 0.000 1.182 106 Y CB 1.049 39.559 38.460 0.082 0.000 0.983 106 Y HN 0.072 8.548 8.280 0.326 0.000 0.524 107 G N -4.240 104.613 108.800 0.089 0.000 2.696 107 G HA2 0.256 4.192 3.960 -0.040 0.000 0.295 107 G HA3 0.256 4.201 3.960 -0.025 0.000 0.295 107 G C -2.277 172.654 174.900 0.052 0.000 1.398 107 G CA -0.832 44.268 45.100 0.000 0.000 0.920 107 G HN -1.035 7.369 8.290 0.191 0.001 0.492 108 E N -0.809 119.413 120.200 0.037 0.000 2.097 108 E HA -0.358 4.023 4.350 0.052 0.000 0.196 108 E C 0.610 177.237 176.600 0.046 0.000 1.000 108 E CA 2.620 59.046 56.400 0.043 0.000 0.804 108 E CB 0.260 29.979 29.700 0.031 0.000 0.740 108 E HN 0.183 8.556 8.360 0.023 0.000 0.454 109 D N -4.824 115.601 120.400 0.042 0.000 2.117 109 D HA -0.212 4.450 4.640 0.037 0.000 0.198 109 D C 0.631 176.967 176.300 0.061 0.000 0.982 109 D CA 1.762 55.789 54.000 0.045 0.000 0.828 109 D CB -0.708 40.116 40.800 0.039 0.000 0.967 109 D HN -0.221 8.171 8.370 0.035 -0.001 0.464 110 K N 0.739 121.192 120.400 0.088 0.000 2.278 110 K HA 0.053 4.428 4.320 0.091 0.000 0.237 110 K C 0.440 177.104 176.600 0.107 0.000 1.229 110 K CA -0.534 55.821 56.287 0.113 0.000 1.155 110 K CB -2.231 30.383 32.500 0.189 0.000 1.590 110 K HN -0.791 7.421 8.250 0.088 0.091 0.290 111 D N 1.864 122.310 120.400 0.075 0.000 2.144 111 D HA -0.298 4.387 4.640 0.076 0.000 0.199 111 D C 0.881 177.221 176.300 0.067 0.000 0.984 111 D CA 3.201 57.242 54.000 0.068 0.000 0.834 111 D CB -0.158 40.670 40.800 0.046 0.000 0.955 111 D HN 0.097 8.457 8.370 0.063 0.048 0.465 112 N N -2.824 115.914 118.700 0.063 0.000 2.550 112 N HA -0.191 4.719 4.740 0.062 -0.132 0.186 112 N C -1.185 174.343 175.510 0.031 0.000 1.110 112 N CA 0.911 53.994 53.050 0.055 0.000 0.912 112 N CB -0.048 38.472 38.487 0.055 0.000 0.968 112 N HN 0.326 8.730 8.380 0.063 0.014 0.448 113 I N -0.905 119.698 120.570 0.056 0.000 2.404 113 I HA 0.453 4.749 4.170 -0.027 -0.142 0.293 113 I C -1.241 174.927 176.117 0.084 0.000 0.992 113 I CA -0.715 60.603 61.300 0.031 0.000 1.149 113 I CB 2.175 40.189 38.000 0.023 0.000 1.315 113 I HN -0.715 7.394 8.210 0.090 0.155 0.446 114 V N 2.526 122.473 119.914 0.055 0.000 2.686 114 V HA 0.850 5.232 4.120 0.190 -0.148 0.306 114 V C -2.399 173.835 176.094 0.233 0.000 1.065 114 V CA -2.336 60.054 62.300 0.150 0.000 0.894 114 V CB 3.035 34.927 31.823 0.115 0.000 1.004 114 V HN 0.553 8.731 8.190 -0.021 0.000 0.424 115 I N 5.224 125.970 120.570 0.294 0.000 3.067 115 I HA 0.593 5.046 4.170 0.288 -0.110 0.312 115 I C -1.685 174.570 176.117 0.230 0.000 1.073 115 I CA -2.399 59.066 61.300 0.275 0.000 1.016 115 I CB 4.457 42.607 38.000 0.249 0.000 1.227 115 I HN 0.502 8.876 8.210 0.272 0.000 0.456 116 V N -2.289 117.697 119.914 0.119 0.000 3.077 116 V HA 0.347 4.216 4.120 -0.417 0.000 0.299 116 V C -1.846 174.173 176.094 -0.124 0.000 1.276 116 V CA -1.507 60.686 62.300 -0.178 0.000 0.993 116 V CB 2.872 34.492 31.823 -0.338 0.000 1.076 116 V HN -0.034 8.262 8.190 0.176 0.000 0.434 117 G N -0.359 108.309 108.800 -0.219 0.000 2.362 117 G HA2 -0.131 3.867 3.960 -0.061 0.000 0.656 117 G HA3 -0.131 3.844 3.960 0.027 0.000 0.656 117 G C -3.074 171.836 174.900 0.017 0.000 1.376 117 G CA -0.782 44.289 45.100 -0.049 0.000 0.971 117 G HN 0.241 8.274 8.290 -0.429 0.000 0.636 118 P HA 0.375 5.020 4.420 0.127 -0.149 0.279 118 P C -1.229 176.108 177.300 0.062 0.000 1.239 118 P CA -0.695 62.478 63.100 0.122 0.000 0.789 118 P CB 0.888 32.729 31.700 0.235 0.000 0.933 119 L N 1.420 122.678 121.223 0.057 0.000 2.393 119 L HA 0.566 4.942 4.340 0.060 0.000 0.260 119 L C -2.521 174.453 176.870 0.173 0.000 1.002 119 L CA -3.267 51.610 54.840 0.062 0.000 0.818 119 L CB 3.897 45.885 42.059 -0.118 0.000 1.369 119 L HN 0.454 8.729 8.230 0.074 0.000 0.412 120 P HA -0.079 4.557 4.420 0.164 -0.116 0.266 120 P C 0.381 177.830 177.300 0.249 0.000 1.195 120 P CA -0.094 63.130 63.100 0.207 0.000 0.768 120 P CB 0.559 32.359 31.700 0.165 0.000 0.838 121 G N 0.669 109.603 108.800 0.224 0.000 2.396 121 G HA2 -0.269 3.862 3.960 0.285 0.000 0.214 121 G HA3 -0.269 3.931 3.960 0.400 0.000 0.214 121 G C 0.704 175.720 174.900 0.193 0.000 1.166 121 G CA 0.973 46.245 45.100 0.287 0.000 0.793 121 G HN 0.004 8.416 8.290 0.202 0.000 0.533 122 E N 0.495 120.775 120.200 0.134 0.000 2.108 122 E HA -0.524 3.818 4.350 -0.014 0.000 0.203 122 E C 2.530 179.091 176.600 -0.065 0.000 1.022 122 E CA 3.288 59.699 56.400 0.018 0.000 0.823 122 E CB -0.835 28.874 29.700 0.015 0.000 0.744 122 E HN 0.178 8.641 8.360 0.172 0.000 0.456 123 Q N -2.147 117.579 119.800 -0.123 0.000 2.096 123 Q HA -0.091 4.042 4.340 -0.345 0.000 0.197 123 Q C 1.158 176.820 176.000 -0.563 0.000 0.964 123 Q CA 2.526 58.074 55.803 -0.424 0.000 0.838 123 Q CB 0.854 29.201 28.738 -0.652 0.000 0.906 123 Q HN 0.166 8.417 8.270 -0.035 -0.002 0.444 124 Y N -3.519 116.804 120.300 0.039 0.000 2.631 124 Y HA 0.358 5.018 4.550 0.022 -0.097 0.361 124 Y C 0.833 176.774 175.900 0.068 0.000 0.941 124 Y CA -1.215 56.906 58.100 0.035 0.000 1.327 124 Y CB -1.060 37.407 38.460 0.011 0.000 1.299 124 Y HN -0.583 7.675 8.280 0.083 0.072 0.578 125 Q N -0.845 119.038 119.800 0.139 0.000 2.020 125 Q HA -0.248 4.225 4.340 0.222 0.000 0.202 125 Q C 0.217 176.303 176.000 0.144 0.000 0.982 125 Q CA 3.286 59.179 55.803 0.150 0.000 0.838 125 Q CB 0.658 29.430 28.738 0.056 0.000 0.899 125 Q HN -0.409 7.893 8.270 0.052 0.000 0.423 126 E N -3.488 116.779 120.200 0.112 0.000 2.283 126 E HA 0.436 5.026 4.350 0.138 -0.157 0.271 126 E C -1.349 175.353 176.600 0.171 0.000 1.031 126 E CA -1.121 55.355 56.400 0.126 0.000 0.868 126 E CB 1.724 31.476 29.700 0.087 0.000 1.094 126 E HN -0.421 7.983 8.360 0.073 0.000 0.401 127 I N -0.266 120.414 120.570 0.183 0.000 2.686 127 I HA 0.276 4.541 4.170 0.158 0.000 0.295 127 I C -2.251 173.964 176.117 0.163 0.000 1.114 127 I CA -0.992 60.398 61.300 0.150 0.000 1.038 127 I CB 4.685 42.745 38.000 0.101 0.000 1.238 127 I HN 0.546 8.872 8.210 0.195 0.000 0.420 128 V N 5.577 125.550 119.914 0.099 0.000 2.334 128 V HA 0.117 4.354 4.120 0.195 0.000 0.281 128 V C -1.343 174.787 176.094 0.060 0.000 1.016 128 V CA -0.576 61.803 62.300 0.131 0.000 0.832 128 V CB 0.536 32.422 31.823 0.106 0.000 0.999 128 V HN 0.313 8.547 8.190 0.074 0.000 0.439 129 F N 7.340 127.252 119.950 -0.063 0.000 2.371 129 F HA 0.356 4.487 4.527 -0.661 0.000 0.363 129 F C -1.856 173.709 175.800 -0.392 0.000 1.122 129 F CA -2.665 55.098 58.000 -0.395 0.000 1.129 129 F CB 0.787 39.542 39.000 -0.408 0.000 1.173 129 F HN -0.040 8.520 8.300 0.434 0.000 0.489 130 P HA 0.127 4.549 4.420 -0.218 -0.132 0.269 130 P C -0.937 176.142 177.300 -0.369 0.000 1.209 130 P CA -0.553 62.398 63.100 -0.250 0.000 0.776 130 P CB 0.417 32.026 31.700 -0.151 0.000 0.876 131 V N -0.829 118.750 119.914 -0.559 0.000 2.668 131 V HA 0.415 4.472 4.120 -0.321 -0.129 0.304 131 V C -2.347 173.492 176.094 -0.425 0.000 1.071 131 V CA -1.714 60.246 62.300 -0.568 0.000 0.894 131 V CB 4.079 35.541 31.823 -0.601 0.000 1.008 131 V HN 0.392 8.204 8.190 -0.630 0.000 0.425 132 L N 8.859 129.999 121.223 -0.138 0.000 2.331 132 L HA 0.398 4.859 4.340 -0.008 -0.126 0.278 132 L C -0.977 175.906 176.870 0.021 0.000 1.106 132 L CA -1.059 53.759 54.840 -0.037 0.000 0.824 132 L CB 2.162 44.191 42.059 -0.050 0.000 1.142 132 L HN 0.125 8.287 8.230 -0.113 0.000 0.443 133 S N 6.474 122.236 115.700 0.104 0.000 2.565 133 S HA 0.358 4.608 4.470 -0.366 0.000 0.274 133 S C -1.976 172.389 174.600 -0.391 0.000 1.309 133 S CA -2.023 56.094 58.200 -0.138 0.000 1.043 133 S CB -0.271 62.969 63.200 0.066 0.000 0.939 133 S HN 0.301 8.714 8.310 0.173 0.000 0.504 134 P HA 0.104 4.324 4.420 -0.333 0.000 0.289 134 P C -1.656 175.451 177.300 -0.321 0.000 1.299 134 P CA -0.779 62.034 63.100 -0.478 0.000 0.766 134 P CB 1.311 32.659 31.700 -0.587 0.000 1.226 135 N N -3.236 115.321 118.700 -0.239 0.000 2.491 135 N HA 0.259 4.903 4.740 -0.161 0.000 0.274 135 N C -0.603 174.779 175.510 -0.213 0.000 1.023 135 N CA -3.235 49.711 53.050 -0.173 0.000 0.902 135 N CB 1.944 40.377 38.487 -0.090 0.000 1.267 135 N HN 0.019 8.261 8.380 -0.230 0.000 0.503 136 P HA -0.057 4.343 4.420 -0.316 -0.170 0.216 136 P C 0.940 178.155 177.300 -0.141 0.000 1.150 136 P CA 1.939 64.848 63.100 -0.319 0.000 0.837 136 P CB 0.655 32.003 31.700 -0.588 0.000 0.786 137 A N -1.754 121.032 122.820 -0.056 0.000 1.908 137 A HA -0.238 4.094 4.320 0.020 0.000 0.218 137 A C 1.063 178.633 177.584 -0.023 0.000 1.181 137 A CA 2.465 54.502 52.037 0.002 0.000 0.627 137 A CB -0.614 18.412 19.000 0.042 0.000 0.818 137 A HN -0.087 8.152 8.150 -0.041 -0.114 0.445 138 N N -2.229 116.443 118.700 -0.047 0.000 2.327 138 N HA 0.006 4.727 4.740 -0.032 0.000 0.231 138 N C -1.306 174.161 175.510 -0.072 0.000 1.130 138 N CA 0.092 53.113 53.050 -0.048 0.000 0.845 138 N CB 0.754 39.215 38.487 -0.043 0.000 1.073 138 N HN -0.590 8.012 8.380 -0.059 -0.257 0.496 139 D N -0.874 119.470 120.400 -0.094 0.000 2.362 139 D HA 0.075 4.664 4.640 -0.087 0.000 0.228 139 D C -0.075 176.142 176.300 -0.139 0.000 1.326 139 D CA -0.109 53.822 54.000 -0.116 0.000 0.927 139 D CB 1.087 41.793 40.800 -0.156 0.000 1.501 139 D HN -0.158 7.973 8.370 -0.091 0.184 0.519 140 K N 3.698 124.047 120.400 -0.085 0.000 2.009 140 K HA -0.300 3.996 4.320 -0.042 0.000 0.210 140 K C 1.004 177.521 176.600 -0.138 0.000 1.049 140 K CA 2.741 58.994 56.287 -0.056 0.000 0.929 140 K CB -0.054 32.450 32.500 0.008 0.000 0.714 140 K HN 0.244 8.459 8.250 -0.058 0.000 0.440 141 N N -4.539 114.078 118.700 -0.138 0.000 2.334 141 N HA -0.228 4.498 4.740 -0.022 0.000 0.187 141 N C 0.353 175.482 175.510 -0.635 0.000 1.016 141 N CA 1.686 54.624 53.050 -0.188 0.000 0.879 141 N CB 0.165 38.613 38.487 -0.066 0.000 0.965 141 N HN -0.145 8.182 8.380 -0.089 0.000 0.438 142 I N -1.388 118.826 120.570 -0.593 0.000 2.612 142 I HA -0.138 3.766 4.170 -0.443 0.000 0.295 142 I C -1.260 174.341 176.117 -0.859 0.000 1.011 142 I CA -0.520 60.430 61.300 -0.584 0.000 1.326 142 I CB 1.523 39.326 38.000 -0.329 0.000 1.427 142 I HN -0.736 7.337 8.210 -0.396 -0.100 0.537 143 H N 5.526 124.606 119.070 0.017 0.000 2.977 143 H HA 0.197 4.610 4.556 -0.238 0.000 0.350 143 H C -0.907 174.361 175.328 -0.100 0.000 1.238 143 H CA -1.525 54.473 56.048 -0.083 0.000 1.124 143 H CB 3.682 33.473 29.762 0.048 0.000 1.866 143 H HN 0.048 8.368 8.280 0.066 0.000 0.550 144 F N 0.339 120.437 119.950 0.247 0.000 2.468 144 F HA -0.083 4.645 4.527 0.198 -0.081 0.356 144 F C 0.549 176.409 175.800 0.101 0.000 1.167 144 F CA 0.470 58.569 58.000 0.165 0.000 1.135 144 F CB -0.553 38.503 39.000 0.094 0.000 1.197 144 F HN 0.245 8.611 8.300 0.109 0.000 0.569 145 G N 2.454 111.356 108.800 0.171 0.000 2.608 145 G HA2 0.090 4.036 3.960 -0.024 0.000 0.291 145 G HA3 0.090 3.907 3.960 -0.238 0.000 0.291 145 G C -2.810 171.891 174.900 -0.333 0.000 1.425 145 G CA -0.654 44.373 45.100 -0.121 0.000 0.787 145 G HN -0.508 7.964 8.290 0.303 0.000 0.484 146 K N -0.480 119.724 120.400 -0.327 0.000 2.276 146 K HA 0.060 4.434 4.320 -0.120 -0.125 0.259 146 K C -0.687 175.580 176.600 -0.554 0.000 1.001 146 K CA 1.304 57.428 56.287 -0.271 0.000 0.927 146 K CB 0.926 33.330 32.500 -0.159 0.000 0.969 146 K HN 0.104 8.209 8.250 -0.242 0.000 0.490 147 Y N -1.684 118.597 120.300 -0.031 0.000 2.552 147 Y HA 0.086 4.620 4.550 -0.027 0.000 0.337 147 Y C -1.581 174.248 175.900 -0.117 0.000 1.094 147 Y CA -1.267 56.796 58.100 -0.062 0.000 1.028 147 Y CB 4.689 43.091 38.460 -0.096 0.000 1.321 147 Y HN -0.293 7.987 8.280 0.001 0.000 0.456 148 S N 0.915 116.656 115.700 0.068 0.000 2.632 148 S HA 0.453 4.950 4.470 -0.122 -0.101 0.271 148 S C -0.821 173.696 174.600 -0.138 0.000 1.260 148 S CA -0.827 57.325 58.200 -0.081 0.000 1.010 148 S CB 2.067 65.221 63.200 -0.077 0.000 0.965 148 S HN 0.201 8.598 8.310 0.146 0.000 0.534 149 V N -0.565 119.198 119.914 -0.252 0.000 2.498 149 V HA 0.547 4.707 4.120 -0.153 -0.131 0.283 149 V C -1.881 174.053 176.094 -0.266 0.000 1.015 149 V CA -1.409 60.766 62.300 -0.209 0.000 0.867 149 V CB 1.497 33.210 31.823 -0.183 0.000 1.025 149 V HN 0.097 8.090 8.190 -0.328 0.000 0.441 150 H N 8.707 127.719 119.070 -0.095 0.000 2.508 150 H HA 0.674 5.321 4.556 -0.071 -0.134 0.358 150 H C -1.247 174.018 175.328 -0.105 0.000 1.212 150 H CA 0.252 56.251 56.048 -0.082 0.000 1.356 150 H CB 2.238 31.963 29.762 -0.063 0.000 1.525 150 H HN -0.144 8.200 8.280 0.108 0.000 0.578 151 V N -1.697 118.239 119.914 0.038 0.000 3.087 151 V HA 0.583 4.807 4.120 -0.057 -0.138 0.306 151 V C -2.592 173.512 176.094 0.018 0.000 1.187 151 V CA -1.879 60.403 62.300 -0.030 0.000 0.999 151 V CB 4.444 36.214 31.823 -0.089 0.000 1.049 151 V HN 0.017 8.251 8.190 0.073 0.000 0.431 152 G N 2.684 111.524 108.800 0.066 0.000 2.566 152 G HA2 0.643 4.759 3.960 0.021 0.000 0.311 152 G HA3 0.643 4.884 3.960 0.468 0.000 0.311 152 G C -2.668 172.331 174.900 0.165 0.000 1.322 152 G CA -0.975 44.249 45.100 0.207 0.000 0.969 152 G HN 0.870 9.182 8.290 0.036 0.000 0.490 153 G N 1.089 109.887 108.800 -0.003 0.000 2.737 153 G HA2 0.511 4.676 3.960 0.142 0.000 0.290 153 G HA3 0.511 4.462 3.960 -0.014 0.000 0.290 153 G C -2.812 172.138 174.900 0.084 0.000 1.482 153 G CA -0.793 44.338 45.100 0.052 0.000 1.017 153 G HN 0.350 8.366 8.290 -0.457 0.000 0.529 154 N N 5.314 124.109 118.700 0.158 0.000 2.443 154 N HA 0.648 5.602 4.740 0.159 -0.118 0.293 154 N C -1.634 173.854 175.510 -0.038 0.000 1.159 154 N CA -1.161 51.928 53.050 0.064 0.000 0.904 154 N CB 3.693 42.073 38.487 -0.179 0.000 1.214 154 N HN 0.504 8.969 8.380 0.142 0.000 0.513 155 R N 0.531 120.968 120.500 -0.104 0.000 2.604 155 R HA 0.782 5.209 4.340 -0.126 -0.163 0.281 155 R C -0.772 175.424 176.300 -0.173 0.000 1.020 155 R CA -1.969 54.030 56.100 -0.167 0.000 0.899 155 R CB 3.181 33.309 30.300 -0.285 0.000 1.205 155 R HN 0.210 8.421 8.270 -0.098 0.000 0.450 156 G N 4.252 112.961 108.800 -0.151 0.000 2.828 156 G HA2 -0.487 3.527 3.960 -0.068 0.000 0.463 156 G HA3 -0.487 3.410 3.960 -0.105 0.000 0.463 156 G C -1.218 173.691 174.900 0.015 0.000 1.394 156 G CA -0.314 44.737 45.100 -0.082 0.000 0.862 156 G HN 0.444 8.650 8.290 -0.139 0.000 0.540 157 R N 0.700 121.221 120.500 0.035 0.000 2.490 157 R HA 0.106 4.487 4.340 0.069 0.000 0.278 157 R C 0.555 176.892 176.300 0.061 0.000 1.069 157 R CA -0.399 55.729 56.100 0.047 0.000 1.080 157 R CB 0.865 31.173 30.300 0.013 0.000 1.030 157 R HN 0.001 8.551 8.270 0.014 -0.272 0.491 158 G N -0.301 108.453 108.800 -0.076 0.000 2.543 158 G HA2 0.157 4.053 3.960 -0.107 0.000 0.290 158 G HA3 0.157 3.579 3.960 -0.897 0.000 0.290 158 G C -0.948 173.756 174.900 -0.327 0.000 1.310 158 G CA -0.664 44.222 45.100 -0.356 0.000 1.025 158 G HN 0.003 8.228 8.290 -0.108 0.000 0.502 159 Q N -3.679 115.913 119.800 -0.347 0.000 2.396 159 Q HA 0.175 4.365 4.340 -0.249 0.000 0.220 159 Q C 0.016 175.789 176.000 -0.378 0.000 0.900 159 Q CA 0.670 56.298 55.803 -0.291 0.000 0.925 159 Q CB 1.940 30.555 28.738 -0.205 0.000 1.065 159 Q HN -0.160 7.880 8.270 -0.383 0.000 0.535 160 V N -4.094 115.553 119.914 -0.446 0.000 2.789 160 V HA 0.555 4.603 4.120 -0.367 -0.148 0.311 160 V C -1.663 174.107 176.094 -0.540 0.000 1.073 160 V CA -2.153 59.902 62.300 -0.407 0.000 0.921 160 V CB 2.853 34.529 31.823 -0.245 0.000 1.009 160 V HN -0.979 6.930 8.190 -0.469 0.000 0.426 161 Y N 5.764 125.875 120.300 -0.316 0.000 2.334 161 Y HA 0.326 4.442 4.550 -0.723 0.000 0.325 161 Y C 0.483 176.084 175.900 -0.497 0.000 1.308 161 Y CA -1.291 56.502 58.100 -0.512 0.000 1.389 161 Y CB -0.577 37.639 38.460 -0.406 0.000 1.328 161 Y HN 0.474 8.660 8.280 -0.156 0.000 0.532 162 P HA -0.222 4.061 4.420 -0.228 0.000 0.218 162 P C -0.062 177.130 177.300 -0.180 0.000 1.146 162 P CA 2.150 65.055 63.100 -0.325 0.000 0.813 162 P CB -0.071 31.369 31.700 -0.434 0.000 0.778 163 T N -7.336 107.130 114.554 -0.146 0.000 3.160 163 T HA -0.077 4.221 4.350 -0.086 0.000 0.257 163 T C 1.203 175.866 174.700 -0.061 0.000 1.147 163 T CA -0.261 61.785 62.100 -0.089 0.000 1.064 163 T CB 0.156 68.974 68.868 -0.082 0.000 0.949 163 T HN -0.557 7.561 8.240 -0.167 0.022 0.526 164 G N 0.974 109.737 108.800 -0.062 0.000 2.195 164 G HA2 -0.418 3.499 3.960 -0.073 0.000 0.246 164 G HA3 -0.418 3.513 3.960 -0.048 0.000 0.246 164 G C -0.385 174.498 174.900 -0.029 0.000 0.984 164 G CA -0.325 44.742 45.100 -0.054 0.000 0.633 164 G HN 0.064 8.121 8.290 -0.083 0.183 0.525 165 E N 0.865 121.080 120.200 0.025 0.000 2.390 165 E HA -0.038 4.330 4.350 0.029 0.000 0.261 165 E C -0.695 175.956 176.600 0.086 0.000 1.076 165 E CA 0.203 56.646 56.400 0.072 0.000 0.905 165 E CB 0.850 30.614 29.700 0.107 0.000 0.984 165 E HN -0.510 7.803 8.360 0.029 0.064 0.427 166 K N 1.918 122.337 120.400 0.032 0.000 2.107 166 K HA 0.103 4.453 4.320 -0.150 -0.120 0.251 166 K C 0.132 176.768 176.600 0.060 0.000 1.012 166 K CA 0.487 56.734 56.287 -0.066 0.000 0.920 166 K CB 0.946 33.317 32.500 -0.215 0.000 1.033 166 K HN 0.287 8.556 8.250 0.033 0.000 0.478 167 S N 1.331 116.981 115.700 -0.084 0.000 2.739 167 S HA 0.258 4.923 4.470 0.325 0.000 0.306 167 S C -0.568 174.114 174.600 0.137 0.000 1.115 167 S CA -1.566 56.660 58.200 0.043 0.000 0.985 167 S CB 2.570 65.599 63.200 -0.285 0.000 1.133 167 S HN 0.304 8.491 8.310 -0.206 0.000 0.541 168 N N -1.230 117.587 118.700 0.195 0.000 2.410 168 N HA -0.031 4.947 4.740 0.398 0.000 0.231 168 N C -1.376 174.221 175.510 0.144 0.000 1.172 168 N CA -0.144 53.045 53.050 0.231 0.000 0.849 168 N CB -1.168 37.422 38.487 0.171 0.000 1.116 168 N HN 0.247 8.745 8.380 0.196 0.000 0.485 169 N N 0.148 118.890 118.700 0.069 0.000 2.660 169 N HA 0.028 4.803 4.740 0.058 0.000 0.316 169 N C -2.341 173.169 175.510 0.000 0.000 1.774 169 N CA 0.094 53.164 53.050 0.033 0.000 0.946 169 N CB -0.085 38.403 38.487 0.001 0.000 1.322 169 N HN -0.713 7.586 8.380 0.028 0.097 0.492 170 N N -3.009 115.705 118.700 0.024 0.000 3.116 170 N HA -0.014 4.702 4.740 -0.041 0.000 0.244 170 N C -2.714 172.776 175.510 -0.033 0.000 1.485 170 N CA -0.877 52.141 53.050 -0.053 0.000 0.884 170 N CB 1.872 40.263 38.487 -0.160 0.000 1.415 170 N HN -0.688 7.756 8.380 0.108 0.000 0.524 171 L N -0.253 120.917 121.223 -0.088 0.000 2.331 171 L HA 0.099 4.472 4.340 0.056 0.000 0.278 171 L C -1.620 175.161 176.870 -0.148 0.000 1.106 171 L CA -0.102 54.715 54.840 -0.038 0.000 0.824 171 L CB 1.295 43.330 42.059 -0.040 0.000 1.142 171 L HN 0.126 8.290 8.230 -0.110 0.000 0.443 172 Y N 5.870 126.164 120.300 -0.011 0.000 2.595 172 Y HA 0.138 4.679 4.550 -0.014 0.000 0.336 172 Y C -1.064 174.828 175.900 -0.014 0.000 0.996 172 Y CA -0.988 57.105 58.100 -0.012 0.000 1.260 172 Y CB -0.123 38.332 38.460 -0.009 0.000 1.108 172 Y HN 0.002 8.441 8.280 0.265 0.000 0.509 173 S N 3.805 119.519 115.700 0.024 0.000 2.608 173 S HA 0.098 4.718 4.470 0.030 -0.132 0.261 173 S C -0.410 174.215 174.600 0.042 0.000 1.314 173 S CA -0.912 57.302 58.200 0.023 0.000 0.992 173 S CB 1.053 64.245 63.200 -0.013 0.000 0.935 173 S HN -0.186 8.088 8.310 -0.060 0.000 0.564 174 A N -1.072 121.763 122.820 0.025 0.000 2.407 174 A HA -0.029 4.306 4.320 0.025 0.000 0.248 174 A C -0.338 177.252 177.584 0.010 0.000 1.082 174 A CA -0.112 51.935 52.037 0.018 0.000 0.785 174 A CB 0.971 19.975 19.000 0.007 0.000 1.020 174 A HN 0.248 8.409 8.150 0.017 0.000 0.489 175 A N 0.615 123.439 122.820 0.007 0.000 2.684 175 A HA 0.217 4.536 4.320 -0.001 0.000 0.288 175 A C -2.129 175.452 177.584 -0.005 0.000 1.337 175 A CA -0.582 51.455 52.037 0.000 0.000 0.946 175 A CB -0.394 18.608 19.000 0.002 0.000 1.093 175 A HN -0.133 8.269 8.150 0.007 -0.247 0.543 176 A N -3.378 119.439 122.820 -0.005 0.000 2.590 176 A HA 0.174 4.490 4.320 -0.007 0.000 0.296 176 A C -1.451 176.129 177.584 -0.006 0.000 1.050 176 A CA -0.112 51.920 52.037 -0.007 0.000 0.697 176 A CB 1.627 20.620 19.000 -0.011 0.000 1.277 176 A HN -0.653 7.413 8.150 -0.003 0.082 0.411 177 T N 3.286 117.836 114.554 -0.006 0.000 2.874 177 T HA 0.331 4.857 4.350 -0.004 -0.178 0.281 177 T C 0.273 174.970 174.700 -0.006 0.000 0.994 177 T CA 0.640 62.737 62.100 -0.005 0.000 1.015 177 T CB 1.559 70.425 68.868 -0.004 0.000 1.028 177 T HN 0.156 8.393 8.240 -0.006 0.000 0.523 178 G N 1.486 110.283 108.800 -0.005 0.000 2.350 178 G HA2 -0.045 3.924 3.960 -0.004 0.000 0.282 178 G HA3 -0.045 3.978 3.960 -0.007 -0.067 0.282 178 G C -3.132 171.765 174.900 -0.004 0.000 1.314 178 G CA 0.106 45.203 45.100 -0.005 0.000 0.915 178 G HN 0.146 8.434 8.290 -0.004 0.000 0.499 179 T N 0.329 114.880 114.554 -0.004 0.000 2.932 179 T HA 0.646 5.141 4.350 -0.003 -0.146 0.289 179 T C -0.911 173.786 174.700 -0.005 0.000 1.039 179 T CA -3.002 59.096 62.100 -0.003 0.000 1.024 179 T CB 1.936 70.804 68.868 -0.001 0.000 1.090 179 T HN -0.190 8.047 8.240 -0.004 0.000 0.496 180 I N 4.633 125.200 120.570 -0.004 0.000 2.315 180 I HA 0.321 4.641 4.170 -0.013 -0.158 0.291 180 I C 0.175 176.291 176.117 -0.001 0.000 1.006 180 I CA -0.546 60.750 61.300 -0.007 0.000 1.265 180 I CB 0.931 38.927 38.000 -0.007 0.000 1.387 180 I HN -0.034 8.175 8.210 -0.002 0.000 0.475 181 S N 8.339 124.039 115.700 -0.000 0.000 2.503 181 S HA 0.144 4.619 4.470 0.008 0.000 0.215 181 S C -0.276 174.334 174.600 0.016 0.000 1.003 181 S CA 0.886 59.090 58.200 0.008 0.000 0.910 181 S CB 0.954 64.160 63.200 0.009 0.000 0.790 181 S HN 0.410 8.716 8.310 -0.006 0.000 0.514 182 K N 0.014 120.426 120.400 0.019 0.000 2.587 182 K HA 0.291 4.739 4.320 0.034 -0.108 0.276 182 K C -2.635 173.990 176.600 0.041 0.000 0.956 182 K CA 0.034 56.343 56.287 0.038 0.000 0.857 182 K CB 2.993 35.531 32.500 0.062 0.000 1.431 182 K HN -0.785 7.470 8.250 0.008 0.000 0.420 183 I N 0.817 121.419 120.570 0.053 0.000 2.894 183 I HA 0.453 4.801 4.170 0.059 -0.143 0.302 183 I C -1.697 174.466 176.117 0.077 0.000 1.188 183 I CA -1.183 60.151 61.300 0.057 0.000 1.014 183 I CB 4.626 42.643 38.000 0.030 0.000 1.242 183 I HN -0.136 8.281 8.210 0.049 -0.177 0.430 184 A N 5.273 128.151 122.820 0.096 0.000 2.512 184 A HA 0.197 4.546 4.320 0.048 0.000 0.290 184 A C -2.375 175.250 177.584 0.069 0.000 1.041 184 A CA 0.021 52.102 52.037 0.075 0.000 0.911 184 A CB 1.801 20.844 19.000 0.072 0.000 1.407 184 A HN 0.450 8.664 8.150 0.107 0.000 0.398 185 K N 3.942 124.366 120.400 0.040 0.000 2.368 185 K HA -0.156 4.186 4.320 0.037 0.000 0.282 185 K C -0.343 176.269 176.600 0.021 0.000 1.035 185 K CA 0.527 56.831 56.287 0.030 0.000 0.973 185 K CB 0.535 33.046 32.500 0.018 0.000 0.957 185 K HN 0.403 8.672 8.250 0.032 0.000 0.474 186 Q N 3.117 122.928 119.800 0.017 0.000 2.399 186 Q HA 0.323 4.660 4.340 -0.004 0.000 0.276 186 Q C -1.455 174.545 176.000 0.001 0.000 1.098 186 Q CA -1.783 54.020 55.803 0.000 0.000 0.827 186 Q CB 3.808 32.537 28.738 -0.016 0.000 1.386 186 Q HN 0.197 8.482 8.270 0.025 0.000 0.443 187 E N 0.461 120.659 120.200 -0.004 0.000 2.191 187 E HA 0.285 4.636 4.350 0.003 0.000 0.278 187 E C -1.010 175.588 176.600 -0.003 0.000 0.972 187 E CA -0.625 55.775 56.400 -0.001 0.000 0.804 187 E CB 1.665 31.366 29.700 0.000 0.000 1.110 187 E HN 0.221 8.576 8.360 -0.008 0.000 0.394 188 G N 3.844 112.644 108.800 0.001 0.000 2.495 188 G HA2 0.205 4.162 3.960 -0.005 0.000 0.219 188 G HA3 0.205 4.166 3.960 0.002 0.000 0.219 188 G C -0.270 174.631 174.900 0.003 0.000 1.875 188 G CA 0.629 45.729 45.100 -0.000 0.000 0.757 188 G HN 0.129 8.421 8.290 0.004 0.000 0.682 189 E N -0.480 119.725 120.200 0.007 0.000 3.596 189 E HA 0.073 4.428 4.350 0.007 0.000 0.188 189 E C 0.936 177.544 176.600 0.013 0.000 1.232 189 E CA 0.088 56.493 56.400 0.009 0.000 1.460 189 E CB 1.201 30.907 29.700 0.010 0.000 1.513 189 E HN 0.223 8.588 8.360 0.009 0.000 0.530 190 D N -0.159 120.252 120.400 0.017 0.000 2.162 190 D HA 0.015 4.667 4.640 0.021 0.000 0.205 190 D C -0.014 176.298 176.300 0.020 0.000 0.964 190 D CA 1.475 55.488 54.000 0.021 0.000 0.847 190 D CB 0.669 41.486 40.800 0.028 0.000 0.988 190 D HN 0.029 8.410 8.370 0.017 0.000 0.480 191 G N -2.539 106.272 108.800 0.018 0.000 2.663 191 G HA2 0.093 4.062 3.960 0.015 0.000 0.299 191 G HA3 0.093 4.064 3.960 0.018 0.000 0.299 191 G C -1.965 172.941 174.900 0.010 0.000 1.372 191 G CA -0.658 44.451 45.100 0.015 0.000 0.781 191 G HN -0.663 7.637 8.290 0.017 0.000 0.491 192 S N -0.162 115.542 115.700 0.007 0.000 2.564 192 S HA 0.068 4.672 4.470 0.005 -0.131 0.278 192 S C -0.413 174.188 174.600 0.001 0.000 1.333 192 S CA 0.483 58.686 58.200 0.004 0.000 1.048 192 S CB 0.885 64.087 63.200 0.004 0.000 0.900 192 S HN 0.040 8.354 8.310 0.008 0.000 0.505 193 V N 1.703 121.622 119.914 0.009 0.000 2.385 193 V HA 0.158 4.281 4.120 0.005 0.000 0.269 193 V C -1.691 174.427 176.094 0.039 0.000 1.043 193 V CA -0.809 61.504 62.300 0.020 0.000 0.906 193 V CB 1.265 33.110 31.823 0.036 0.000 0.995 193 V HN -0.112 8.084 8.190 0.009 0.000 0.467 194 K N 9.137 129.548 120.400 0.020 0.000 2.205 194 K HA 0.244 4.594 4.320 0.049 0.000 0.279 194 K C -1.642 175.016 176.600 0.096 0.000 1.027 194 K CA -1.122 55.185 56.287 0.033 0.000 0.932 194 K CB 1.568 34.053 32.500 -0.026 0.000 1.032 194 K HN -0.219 8.020 8.250 -0.019 0.000 0.466 195 Y N 6.148 126.429 120.300 -0.031 0.000 2.524 195 Y HA 0.157 4.690 4.550 -0.028 0.000 0.344 195 Y C -2.369 173.521 175.900 -0.017 0.000 1.012 195 Y CA -0.652 57.434 58.100 -0.024 0.000 1.068 195 Y CB 4.300 42.750 38.460 -0.017 0.000 1.249 195 Y HN -0.360 8.024 8.280 0.173 0.000 0.468 196 L N -2.042 118.911 121.223 -0.449 0.000 2.999 196 L HA 0.729 5.177 4.340 -0.075 -0.153 0.274 196 L C -2.989 173.701 176.870 -0.300 0.000 1.044 196 L CA -1.164 53.543 54.840 -0.221 0.000 0.943 196 L CB 3.155 45.147 42.059 -0.112 0.000 1.522 196 L HN 0.252 7.857 8.230 -1.042 0.000 0.400 197 V N -7.010 112.823 119.914 -0.136 0.000 3.114 197 V HA 0.666 4.821 4.120 -0.151 -0.126 0.308 197 V C -1.652 174.406 176.094 -0.060 0.000 1.168 197 V CA -1.890 60.345 62.300 -0.108 0.000 1.015 197 V CB 3.433 35.223 31.823 -0.055 0.000 1.050 197 V HN -0.378 7.765 8.190 -0.077 0.000 0.433 198 D N 0.594 120.965 120.400 -0.048 0.000 2.619 198 D HA 0.646 5.418 4.640 -0.024 -0.147 0.241 198 D C -1.560 174.729 176.300 -0.019 0.000 1.087 198 D CA -0.842 53.141 54.000 -0.029 0.000 0.851 198 D CB 4.665 45.449 40.800 -0.028 0.000 1.474 198 D HN 0.109 8.447 8.370 -0.054 0.000 0.478 199 I N 1.419 121.983 120.570 -0.011 0.000 2.337 199 I HA 0.382 4.548 4.170 -0.007 0.000 0.285 199 I C -1.337 174.777 176.117 -0.006 0.000 1.041 199 I CA -1.936 59.360 61.300 -0.007 0.000 1.199 199 I CB 1.440 39.438 38.000 -0.002 0.000 1.370 199 I HN 0.720 8.924 8.210 -0.010 0.000 0.470 200 K N 11.355 131.751 120.400 -0.006 0.000 2.021 200 K HA -0.026 4.407 4.320 -0.005 -0.117 0.238 200 K C 0.149 176.747 176.600 -0.003 0.000 1.149 200 K CA 0.358 56.642 56.287 -0.005 0.000 1.105 200 K CB -2.108 30.389 32.500 -0.005 0.000 1.246 200 K HN 0.592 8.838 8.250 -0.007 0.000 0.307 201 T N 4.087 118.640 114.554 -0.002 0.000 2.737 201 T HA -0.374 3.975 4.350 -0.001 0.000 0.269 201 T C 1.842 176.541 174.700 -0.001 0.000 1.040 201 T CA 4.303 66.402 62.100 -0.001 0.000 1.142 201 T CB -0.200 68.668 68.868 -0.001 0.000 0.861 201 T HN 0.316 8.531 8.240 -0.003 0.024 0.456 202 E N 1.009 121.208 120.200 -0.002 0.000 2.038 202 E HA -0.233 4.116 4.350 -0.001 0.000 0.195 202 E C 0.315 176.914 176.600 -0.002 0.000 1.000 202 E CA 2.741 59.140 56.400 -0.002 0.000 0.803 202 E CB -0.255 29.444 29.700 -0.002 0.000 0.750 202 E HN 0.409 8.757 8.360 -0.002 0.011 0.448 203 S N -2.999 112.700 115.700 -0.002 0.000 2.605 203 S HA 0.022 4.491 4.470 -0.002 0.000 0.217 203 S C 0.512 175.111 174.600 -0.001 0.000 0.958 203 S CA 0.062 58.260 58.200 -0.002 0.000 0.919 203 S CB -0.103 63.096 63.200 -0.002 0.000 0.780 203 S HN -0.643 7.666 8.310 -0.003 0.000 0.507 204 G N 2.592 111.391 108.800 -0.001 0.000 2.367 204 G HA2 -0.424 3.535 3.960 -0.000 0.000 0.295 204 G HA3 -0.424 3.536 3.960 0.000 0.000 0.295 204 G C -1.883 173.017 174.900 -0.001 0.000 1.019 204 G CA 0.380 45.480 45.100 -0.000 0.000 1.224 204 G HN -0.184 7.923 8.290 -0.001 0.182 0.510 205 E N -0.326 119.873 120.200 -0.002 0.000 2.392 205 E HA 0.199 4.549 4.350 -0.001 0.000 0.279 205 E C -2.221 174.377 176.600 -0.004 0.000 0.964 205 E CA -1.513 54.885 56.400 -0.002 0.000 0.777 205 E CB 3.199 32.897 29.700 -0.003 0.000 1.249 205 E HN -0.543 7.816 8.360 -0.002 0.000 0.449 206 V N 3.654 123.566 119.914 -0.004 0.000 2.628 206 V HA 0.739 5.025 4.120 -0.009 -0.172 0.306 206 V C -0.852 175.234 176.094 -0.013 0.000 1.045 206 V CA -1.516 60.780 62.300 -0.007 0.000 0.905 206 V CB 2.441 34.263 31.823 -0.002 0.000 0.997 206 V HN 0.250 8.439 8.190 -0.002 0.000 0.436 207 V N 1.728 121.628 119.914 -0.024 0.000 3.102 207 V HA 0.555 4.660 4.120 -0.025 0.000 0.312 207 V C -2.458 173.597 176.094 -0.064 0.000 1.135 207 V CA -2.277 60.004 62.300 -0.033 0.000 1.022 207 V CB 4.156 35.963 31.823 -0.027 0.000 1.056 207 V HN 0.346 8.520 8.190 -0.027 0.000 0.436 208 S N 1.229 116.878 115.700 -0.086 0.000 2.259 208 S HA 0.275 4.720 4.470 -0.206 -0.099 0.181 208 S C -0.885 173.614 174.600 -0.168 0.000 1.589 208 S CA -1.638 56.455 58.200 -0.178 0.000 1.234 208 S CB -0.224 62.842 63.200 -0.222 0.000 1.119 208 S HN 0.122 8.395 8.310 -0.061 0.000 0.458 209 D N 5.601 125.924 120.400 -0.128 0.000 2.364 209 D HA -0.109 4.503 4.640 -0.047 0.000 0.236 209 D C -0.761 175.456 176.300 -0.137 0.000 1.221 209 D CA 1.162 55.111 54.000 -0.084 0.000 0.891 209 D CB 1.024 41.801 40.800 -0.039 0.000 1.190 209 D HN -0.146 8.157 8.370 -0.112 0.000 0.449 210 T N -0.577 113.926 114.554 -0.085 0.000 2.900 210 T HA 0.228 4.491 4.350 -0.145 0.000 0.295 210 T C -0.929 173.670 174.700 -0.167 0.000 1.044 210 T CA -0.737 61.298 62.100 -0.109 0.000 0.995 210 T CB 2.465 71.305 68.868 -0.047 0.000 1.072 210 T HN 0.064 8.286 8.240 -0.030 0.000 0.473 211 I N 3.810 124.244 120.570 -0.227 0.000 2.498 211 I HA 0.549 4.212 4.170 -0.845 0.000 0.290 211 I C -2.633 173.262 176.117 -0.369 0.000 1.032 211 I CA -3.019 58.007 61.300 -0.457 0.000 1.073 211 I CB 3.225 41.045 38.000 -0.301 0.000 1.251 211 I HN -0.074 8.048 8.210 -0.146 0.000 0.426 212 P HA 0.209 4.554 4.420 -0.126 0.000 0.297 212 P C -1.848 175.381 177.300 -0.119 0.000 1.303 212 P CA -1.219 61.761 63.100 -0.199 0.000 0.753 212 P CB 0.553 32.173 31.700 -0.132 0.000 1.281 213 A N -1.494 121.300 122.820 -0.042 0.000 2.371 213 A HA -0.020 4.329 4.320 -0.022 -0.042 0.257 213 A C 0.523 178.109 177.584 0.003 0.000 1.089 213 A CA 0.322 52.350 52.037 -0.015 0.000 0.794 213 A CB 0.608 19.612 19.000 0.006 0.000 1.029 213 A HN 0.068 8.204 8.150 -0.023 0.000 0.488 214 G N 0.037 108.843 108.800 0.010 0.000 2.953 214 G HA2 -0.191 3.787 3.960 0.030 0.000 0.201 214 G HA3 -0.191 3.793 3.960 0.040 0.000 0.201 214 G C -2.073 172.844 174.900 0.029 0.000 1.501 214 G CA -0.149 44.968 45.100 0.028 0.000 1.094 214 G HN 0.296 8.589 8.290 0.005 0.000 0.555 215 P HA 0.073 4.523 4.420 0.050 0.000 0.273 215 P C -1.661 175.651 177.300 0.020 0.000 1.258 215 P CA -0.168 62.955 63.100 0.038 0.000 0.802 215 P CB 0.499 32.233 31.700 0.057 0.000 1.040 216 E N -4.056 116.158 120.200 0.025 0.000 2.383 216 E HA 0.168 4.523 4.350 0.009 0.000 0.275 216 E C -1.498 175.113 176.600 0.019 0.000 0.918 216 E CA -1.616 54.794 56.400 0.017 0.000 0.764 216 E CB 2.110 31.821 29.700 0.018 0.000 1.252 216 E HN -0.112 8.269 8.360 0.035 0.000 0.449 217 L N 1.316 122.547 121.223 0.013 0.000 2.453 217 L HA -0.121 4.229 4.340 0.017 0.000 0.261 217 L C 0.241 177.121 176.870 0.017 0.000 1.179 217 L CA 1.337 56.185 54.840 0.014 0.000 0.813 217 L CB 0.620 42.684 42.059 0.009 0.000 1.110 217 L HN 0.527 8.763 8.230 0.011 0.000 0.466 218 I N 0.622 121.203 120.570 0.018 0.000 2.685 218 I HA -0.072 4.107 4.170 0.015 0.000 0.251 218 I C 0.635 176.760 176.117 0.012 0.000 1.102 218 I CA 1.894 63.204 61.300 0.015 0.000 1.442 218 I CB 1.030 39.041 38.000 0.017 0.000 1.194 218 I HN 0.226 8.449 8.210 0.020 0.000 0.448 219 V N -3.126 116.794 119.914 0.011 0.000 3.264 219 V HA 0.004 4.129 4.120 0.008 0.000 0.304 219 V C -1.290 174.808 176.094 0.007 0.000 1.086 219 V CA 0.131 62.436 62.300 0.008 0.000 1.090 219 V CB 0.793 32.619 31.823 0.006 0.000 1.112 219 V HN -0.891 7.306 8.190 0.012 0.000 0.472 220 S N 0.153 115.856 115.700 0.006 0.000 2.811 220 S HA 0.175 4.649 4.470 0.007 0.000 0.311 220 S C -1.135 173.468 174.600 0.005 0.000 1.152 220 S CA -1.358 56.846 58.200 0.006 0.000 0.864 220 S CB 2.378 65.582 63.200 0.007 0.000 1.226 220 S HN -0.126 8.187 8.310 0.005 0.000 0.541 221 E N 0.253 120.457 120.200 0.007 0.000 2.408 221 E HA -0.343 4.010 4.350 0.005 0.000 0.259 221 E C 0.594 177.197 176.600 0.006 0.000 1.110 221 E CA 1.303 57.707 56.400 0.007 0.000 0.929 221 E CB 0.146 29.852 29.700 0.010 0.000 0.971 221 E HN 0.137 8.502 8.360 0.009 0.000 0.438 222 G N 0.848 109.651 108.800 0.005 0.000 2.175 222 G HA2 -0.435 3.568 3.960 0.004 0.000 0.265 222 G HA3 -0.435 3.528 3.960 0.005 0.000 0.265 222 G C -0.644 174.258 174.900 0.003 0.000 0.979 222 G CA 0.543 45.646 45.100 0.004 0.000 0.663 222 G HN 0.535 8.720 8.290 0.004 0.107 0.533 223 Q N 0.295 120.096 119.800 0.002 0.000 2.243 223 Q HA 0.091 4.433 4.340 0.003 0.000 0.252 223 Q C -1.249 174.751 176.000 0.001 0.000 0.909 223 Q CA -1.113 54.691 55.803 0.002 0.000 0.922 223 Q CB 2.023 30.763 28.738 0.003 0.000 1.215 223 Q HN -0.799 7.415 8.270 0.002 0.058 0.427 224 A N 4.994 127.814 122.820 0.001 0.000 2.440 224 A HA 0.112 4.567 4.320 -0.001 -0.135 0.251 224 A C -0.506 177.078 177.584 -0.000 0.000 1.089 224 A CA -0.100 51.937 52.037 0.000 0.000 0.779 224 A CB 0.431 19.432 19.000 0.000 0.000 1.022 224 A HN 0.303 8.454 8.150 0.002 0.000 0.492 225 V N 0.298 120.211 119.914 -0.001 0.000 2.823 225 V HA 0.400 4.520 4.120 0.000 0.000 0.312 225 V C -0.752 175.341 176.094 -0.001 0.000 1.072 225 V CA -1.801 60.498 62.300 -0.001 0.000 0.937 225 V CB 3.654 35.476 31.823 -0.002 0.000 1.013 225 V HN 0.787 8.975 8.190 -0.002 0.000 0.430 226 T N 3.919 118.473 114.554 -0.001 0.000 2.925 226 T HA 0.370 4.719 4.350 -0.002 0.000 0.285 226 T C -0.798 173.900 174.700 -0.002 0.000 1.021 226 T CA -1.682 60.416 62.100 -0.002 0.000 1.042 226 T CB 1.565 70.433 68.868 -0.002 0.000 1.037 226 T HN -0.065 8.400 8.240 0.000 -0.224 0.481 227 A N 2.753 125.571 122.820 -0.003 0.000 2.531 227 A HA -0.490 3.902 4.320 -0.004 -0.075 0.236 227 A C 0.965 178.547 177.584 -0.004 0.000 1.062 227 A CA 1.321 53.356 52.037 -0.004 0.000 0.760 227 A CB -0.286 18.711 19.000 -0.005 0.000 0.995 227 A HN 0.015 8.163 8.150 -0.004 0.000 0.501 228 G N 3.513 112.310 108.800 -0.004 0.000 2.184 228 G HA2 -0.466 3.543 3.960 -0.009 0.000 0.264 228 G HA3 -0.466 3.488 3.960 -0.009 0.000 0.264 228 G C -0.462 174.435 174.900 -0.004 0.000 0.975 228 G CA -0.126 44.970 45.100 -0.007 0.000 0.642 228 G HN 0.253 8.446 8.290 -0.003 0.095 0.536 229 D N 2.016 122.416 120.400 0.001 0.000 2.344 229 D HA 0.063 4.704 4.640 0.001 0.000 0.244 229 D C -0.977 175.329 176.300 0.010 0.000 1.134 229 D CA -0.058 53.944 54.000 0.004 0.000 0.930 229 D CB 0.974 41.777 40.800 0.004 0.000 1.175 229 D HN -0.519 7.795 8.370 0.001 0.057 0.437 230 A N 1.113 123.940 122.820 0.012 0.000 2.438 230 A HA -0.070 4.264 4.320 0.024 0.000 0.280 230 A C 0.022 177.624 177.584 0.028 0.000 1.160 230 A CA 0.710 52.759 52.037 0.021 0.000 0.821 230 A CB -0.260 18.751 19.000 0.018 0.000 1.101 230 A HN 0.457 8.612 8.150 0.008 0.000 0.515 231 L N 2.329 123.578 121.223 0.044 0.000 2.095 231 L HA -0.043 4.312 4.340 0.025 0.000 0.204 231 L C 0.816 177.712 176.870 0.044 0.000 1.080 231 L CA 1.773 56.637 54.840 0.040 0.000 0.759 231 L CB 0.385 42.472 42.059 0.046 0.000 0.914 231 L HN 0.190 8.453 8.230 0.056 0.000 0.439 232 T N -4.751 109.844 114.554 0.068 0.000 2.948 232 T HA 0.127 4.604 4.350 0.044 -0.101 0.285 232 T C 0.046 174.779 174.700 0.054 0.000 1.019 232 T CA -1.890 60.249 62.100 0.064 0.000 1.013 232 T CB 2.417 71.345 68.868 0.099 0.000 1.117 232 T HN -0.780 7.515 8.240 0.092 0.000 0.533 233 N N -0.698 118.030 118.700 0.046 0.000 2.326 233 N HA -0.123 4.636 4.740 0.031 0.000 0.239 233 N C -0.668 174.869 175.510 0.045 0.000 1.301 233 N CA 0.936 54.009 53.050 0.038 0.000 0.909 233 N CB 0.670 39.177 38.487 0.033 0.000 1.156 233 N HN -0.121 8.284 8.380 0.042 0.000 0.462 234 N N -0.347 118.373 118.700 0.033 0.000 2.406 234 N HA 0.057 4.817 4.740 0.034 0.000 0.251 234 N C -1.170 174.359 175.510 0.032 0.000 1.069 234 N CA -2.679 50.388 53.050 0.028 0.000 0.947 234 N CB 0.419 38.914 38.487 0.014 0.000 1.111 234 N HN 0.192 8.588 8.380 0.027 0.000 0.497 235 P HA -0.024 4.418 4.420 0.037 0.000 0.257 235 P C -1.206 176.112 177.300 0.030 0.000 1.281 235 P CA -0.268 62.856 63.100 0.039 0.000 0.826 235 P CB 0.386 32.117 31.700 0.052 0.000 1.237 236 N N 1.948 120.661 118.700 0.020 0.000 2.416 236 N HA -0.112 4.637 4.740 0.014 0.000 0.265 236 N C 0.694 176.215 175.510 0.017 0.000 1.195 236 N CA 0.037 53.095 53.050 0.014 0.000 0.943 236 N CB 0.140 38.631 38.487 0.005 0.000 1.115 236 N HN 0.224 9.009 8.380 0.018 -0.394 0.481 237 V N 1.860 121.783 119.914 0.014 0.000 3.542 237 V HA 0.226 4.360 4.120 0.024 0.000 0.296 237 V C -1.398 174.691 176.094 -0.007 0.000 1.364 237 V CA -1.271 61.039 62.300 0.016 0.000 1.118 237 V CB -0.348 31.493 31.823 0.029 0.000 0.972 237 V HN -0.208 7.989 8.190 0.012 0.000 0.430 238 G N -1.087 107.699 108.800 -0.023 0.000 2.990 238 G HA2 0.487 4.385 3.960 -0.103 0.000 0.208 238 G HA3 0.487 4.526 3.960 -0.086 -0.130 0.208 238 G C -2.263 172.636 174.900 -0.002 0.000 1.334 238 G CA -1.115 43.949 45.100 -0.060 0.000 1.024 238 G HN -0.169 8.359 8.290 -0.006 -0.242 0.574 239 G N -3.006 105.801 108.800 0.013 0.000 2.335 239 G HA2 0.177 4.206 3.960 0.116 0.000 0.291 239 G HA3 0.177 4.173 3.960 0.061 0.000 0.291 239 G C -3.454 171.524 174.900 0.131 0.000 1.261 239 G CA 0.560 45.707 45.100 0.080 0.000 0.871 239 G HN -0.389 7.884 8.290 -0.027 0.000 0.491 240 F N 0.455 120.392 119.950 -0.021 0.000 2.599 240 F HA 0.816 5.421 4.527 -0.079 -0.125 0.311 240 F C -1.999 173.791 175.800 -0.016 0.000 1.076 240 F CA -2.337 55.641 58.000 -0.038 0.000 0.937 240 F CB 4.237 43.232 39.000 -0.008 0.000 1.282 240 F HN 0.049 8.460 8.300 0.186 0.000 0.460 241 G N 2.125 110.160 108.800 -1.275 0.000 2.694 241 G HA2 0.505 4.099 3.960 -0.609 0.000 0.290 241 G HA3 0.505 4.277 3.960 -0.493 -0.108 0.290 241 G C -3.758 170.480 174.900 -1.103 0.000 1.386 241 G CA -0.844 43.730 45.100 -0.878 0.000 0.872 241 G HN 0.041 7.382 8.290 -1.582 0.000 0.475 242 Q N -1.896 117.596 119.800 -0.514 0.000 2.522 242 Q HA 0.550 4.815 4.340 -0.277 -0.091 0.285 242 Q C -2.275 173.649 176.000 -0.127 0.000 0.982 242 Q CA -0.790 54.843 55.803 -0.284 0.000 0.805 242 Q CB 3.502 32.163 28.738 -0.130 0.000 1.457 242 Q HN -0.017 8.043 8.270 -0.350 0.000 0.394 243 L N -1.950 119.234 121.223 -0.065 0.000 2.828 243 L HA 0.479 4.796 4.340 -0.038 0.000 0.264 243 L C -2.803 174.034 176.870 -0.055 0.000 1.106 243 L CA -0.494 54.315 54.840 -0.051 0.000 0.955 243 L CB 4.590 46.608 42.059 -0.069 0.000 1.558 243 L HN 0.099 8.299 8.230 -0.050 0.000 0.386 244 D N -3.718 116.616 120.400 -0.111 0.000 2.596 244 D HA 0.744 5.404 4.640 -0.224 -0.155 0.234 244 D C -1.758 174.436 176.300 -0.177 0.000 1.181 244 D CA -1.593 52.269 54.000 -0.230 0.000 0.856 244 D CB 3.195 43.701 40.800 -0.489 0.000 1.498 244 D HN -0.135 8.181 8.370 -0.090 0.000 0.446 245 A N -0.084 122.625 122.820 -0.184 0.000 2.430 245 A HA 0.410 4.667 4.320 -0.105 0.000 0.300 245 A C -2.512 174.991 177.584 -0.135 0.000 1.124 245 A CA -0.971 50.990 52.037 -0.126 0.000 0.766 245 A CB 3.720 22.667 19.000 -0.089 0.000 1.328 245 A HN 0.431 8.448 8.150 -0.223 0.000 0.424 246 E N -0.354 119.788 120.200 -0.097 0.000 2.202 246 E HA 0.713 5.176 4.350 -0.091 -0.167 0.272 246 E C -1.674 174.885 176.600 -0.069 0.000 0.951 246 E CA -1.487 54.864 56.400 -0.082 0.000 0.813 246 E CB 2.794 32.454 29.700 -0.067 0.000 1.151 246 E HN 0.080 8.391 8.360 -0.081 0.000 0.398 247 I N 2.524 123.065 120.570 -0.048 0.000 2.619 247 I HA 0.252 4.381 4.170 -0.069 0.000 0.292 247 I C -2.688 173.449 176.117 0.034 0.000 1.100 247 I CA -1.873 59.396 61.300 -0.052 0.000 1.043 247 I CB 4.580 42.500 38.000 -0.133 0.000 1.239 247 I HN 0.432 8.630 8.210 -0.020 0.000 0.420 248 V N 7.735 127.664 119.914 0.026 0.000 2.318 248 V HA 0.154 4.328 4.120 0.090 0.000 0.271 248 V C -1.347 174.837 176.094 0.150 0.000 1.030 248 V CA -1.806 60.541 62.300 0.078 0.000 0.844 248 V CB -0.351 31.491 31.823 0.032 0.000 1.015 248 V HN -0.072 8.106 8.190 -0.021 0.000 0.460 249 L N 8.444 129.850 121.223 0.304 0.000 2.477 249 L HA -0.020 4.576 4.340 0.244 -0.110 0.272 249 L C -1.478 175.608 176.870 0.360 0.000 1.157 249 L CA 0.350 55.388 54.840 0.330 0.000 0.889 249 L CB 0.163 42.470 42.059 0.413 0.000 1.158 249 L HN -0.359 8.119 8.230 0.412 0.000 0.473 250 Q N 7.299 127.279 119.800 0.299 0.000 2.337 250 Q HA 0.178 4.620 4.340 0.170 0.000 0.266 250 Q C -1.466 174.577 176.000 0.072 0.000 1.023 250 Q CA -1.532 54.378 55.803 0.179 0.000 0.829 250 Q CB 3.635 32.411 28.738 0.064 0.000 1.306 250 Q HN 0.378 8.796 8.270 0.246 0.000 0.449 251 D N 5.278 125.467 120.400 -0.352 0.000 2.389 251 D HA -0.014 3.838 4.640 -1.312 0.000 0.247 251 D C -0.129 175.974 176.300 -0.329 0.000 1.128 251 D CA 0.232 53.718 54.000 -0.857 0.000 0.884 251 D CB 1.393 41.579 40.800 -1.023 0.000 1.194 251 D HN 0.306 8.518 8.370 -0.263 0.000 0.441 252 A N 6.072 128.765 122.820 -0.213 0.000 1.940 252 A HA -0.223 4.062 4.320 -0.058 0.000 0.219 252 A C 0.313 177.833 177.584 -0.107 0.000 1.176 252 A CA 1.749 53.730 52.037 -0.094 0.000 0.631 252 A CB 0.280 19.256 19.000 -0.040 0.000 0.814 252 A HN 0.417 8.435 8.150 -0.219 0.000 0.446 253 N N -1.774 116.837 118.700 -0.148 0.000 2.476 253 N HA 0.092 4.784 4.740 -0.080 0.000 0.287 253 N C -1.195 174.236 175.510 -0.132 0.000 1.262 253 N CA -0.530 52.452 53.050 -0.114 0.000 0.980 253 N CB 1.136 39.563 38.487 -0.100 0.000 1.163 253 N HN -0.229 8.339 8.380 -0.198 -0.308 0.592 254 R N 0.000 120.443 120.500 -0.096 0.000 2.786 254 R HA 0.000 4.274 4.340 -0.109 0.000 0.208 254 R CA 0.000 56.048 56.100 -0.087 0.000 0.921 254 R CB 0.000 30.264 30.300 -0.060 0.000 0.687 254 R HN 0.000 8.225 8.270 -0.076 0.000 0.535