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 2vg4_1_A DATA FIRST_RESID 13 DATA SEQUENCE FPQLPPAPDD YPTFPDTSTW PVVFPELPAA PYGGPCRPPQ HTSKAAAPRI DATA SEQUENCE PADRLPNHVA IVMDGNGRWA TQRGLARTEG HKMGEAVVID IACGAIELGI DATA SEQUENCE KWLSLYAFST ENWKRSPEEV RFLMGFNRDV VRRRRDTLKK LGVRIRWVGS DATA SEQUENCE RPRLWRSVIN ELAVAEEMTK SNDVITINYC VNYGGRTEIT EATREIAREV DATA SEQUENCE AAGRLNPERI TESTIARHLQ RPDIPDVDLF LRTSGEQRSS NFMLWQAAYA DATA SEQUENCE EYIFQDKLWP DYDRRDLWAA CEEYASRTRR FGSA 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 13 F HA 0.000 4.513 4.527 -0.024 0.000 0.279 13 F C 0.000 175.780 175.800 -0.033 0.000 0.967 13 F CA 0.000 57.983 58.000 -0.029 0.000 1.383 13 F CB 0.000 38.976 39.000 -0.040 0.000 1.145 14 P HA -0.013 4.442 4.420 0.059 0.000 0.245 14 P C -0.954 176.366 177.300 0.034 0.000 1.203 14 P CA 0.133 63.277 63.100 0.074 0.000 0.792 14 P CB 0.526 32.265 31.700 0.065 0.000 0.997 15 Q N -1.525 118.286 119.800 0.017 0.000 2.361 15 Q HA -0.153 4.306 4.340 -0.061 -0.156 0.276 15 Q C 0.475 176.456 176.000 -0.031 0.000 1.022 15 Q CA 0.334 56.108 55.803 -0.049 0.000 0.898 15 Q CB 0.137 28.800 28.738 -0.126 0.000 1.246 15 Q HN -0.406 7.850 8.270 0.043 0.040 0.410 16 L N 4.693 125.891 121.223 -0.042 0.000 2.482 16 L HA -0.036 4.287 4.340 -0.029 0.000 0.273 16 L C -1.165 175.673 176.870 -0.054 0.000 1.228 16 L CA -1.184 53.632 54.840 -0.040 0.000 0.827 16 L CB -0.832 41.203 42.059 -0.039 0.000 1.099 16 L HN -0.237 7.968 8.230 -0.042 0.000 0.494 17 P HA 0.348 4.741 4.420 -0.044 0.000 0.290 17 P C -2.330 174.936 177.300 -0.057 0.000 1.276 17 P CA -2.350 60.722 63.100 -0.047 0.000 0.808 17 P CB -0.444 31.236 31.700 -0.034 0.000 0.966 18 P HA -0.260 4.149 4.420 -0.018 0.000 0.258 18 P C -0.851 176.425 177.300 -0.040 0.000 1.136 18 P CA 0.656 63.739 63.100 -0.028 0.000 0.761 18 P CB -0.236 31.456 31.700 -0.012 0.000 0.724 19 A N 5.966 128.758 122.820 -0.046 0.000 2.561 19 A HA -0.082 4.111 4.320 -0.212 0.000 0.234 19 A C -1.738 175.825 177.584 -0.034 0.000 1.055 19 A CA -0.964 51.005 52.037 -0.113 0.000 0.756 19 A CB -0.032 18.911 19.000 -0.096 0.000 0.986 19 A HN 0.163 8.304 8.150 -0.015 0.000 0.505 20 P HA -0.105 4.328 4.420 0.020 0.000 0.266 20 P C -0.007 177.340 177.300 0.078 0.000 1.186 20 P CA -0.363 62.757 63.100 0.034 0.000 0.767 20 P CB 0.669 32.408 31.700 0.064 0.000 0.820 21 D N 0.985 121.422 120.400 0.061 0.000 2.228 21 D HA -0.411 4.266 4.640 0.062 0.000 0.203 21 D C 0.287 176.632 176.300 0.075 0.000 0.988 21 D CA 3.092 57.128 54.000 0.061 0.000 0.864 21 D CB 0.172 40.996 40.800 0.042 0.000 0.928 21 D HN 0.382 8.780 8.370 0.047 0.000 0.469 22 D N -5.230 115.223 120.400 0.088 0.000 2.342 22 D HA -0.162 4.508 4.640 0.050 0.000 0.221 22 D C -0.231 176.128 176.300 0.098 0.000 1.101 22 D CA -1.002 53.042 54.000 0.072 0.000 0.837 22 D CB -1.143 39.687 40.800 0.050 0.000 0.938 22 D HN -0.117 8.264 8.370 0.093 0.045 0.508 23 Y N 2.969 123.269 120.300 -0.001 0.000 2.336 23 Y HA -0.089 4.454 4.550 -0.012 0.000 0.331 23 Y C -2.369 173.520 175.900 -0.018 0.000 1.211 23 Y CA -0.515 57.580 58.100 -0.007 0.000 1.346 23 Y CB 0.320 38.783 38.460 0.005 0.000 1.271 23 Y HN -0.586 7.793 8.280 0.260 0.057 0.538 24 P HA 0.055 4.382 4.420 -0.156 0.000 0.267 24 P C -1.640 175.627 177.300 -0.054 0.000 1.201 24 P CA 0.052 63.025 63.100 -0.212 0.000 0.775 24 P CB 0.628 32.103 31.700 -0.376 0.000 0.854 25 T N -4.231 110.302 114.554 -0.035 0.000 2.938 25 T HA 0.950 5.603 4.350 0.079 -0.256 0.285 25 T C -0.814 173.939 174.700 0.088 0.000 1.028 25 T CA -2.016 60.100 62.100 0.027 0.000 1.005 25 T CB 3.645 72.497 68.868 -0.026 0.000 1.157 25 T HN -0.245 7.958 8.240 -0.063 0.000 0.550 26 F N -1.354 118.547 119.950 -0.081 0.000 2.654 26 F HA 0.394 4.883 4.527 -0.064 0.000 0.314 26 F C -3.250 172.532 175.800 -0.029 0.000 1.116 26 F CA -1.674 56.298 58.000 -0.047 0.000 1.017 26 F CB 3.346 42.352 39.000 0.011 0.000 1.285 26 F HN -0.289 8.081 8.300 0.116 0.000 0.448 27 P HA 0.247 3.624 4.420 -1.739 0.000 0.289 27 P C -2.399 174.613 177.300 -0.481 0.000 1.293 27 P CA -1.189 61.274 63.100 -1.063 0.000 0.897 27 P CB 1.520 32.585 31.700 -1.059 0.000 1.166 28 D N 0.877 121.043 120.400 -0.390 0.000 2.499 28 D HA 0.177 4.710 4.640 -0.178 0.000 0.225 28 D C -0.013 176.201 176.300 -0.144 0.000 1.124 28 D CA -1.857 52.023 54.000 -0.200 0.000 0.938 28 D CB -0.511 40.210 40.800 -0.131 0.000 1.014 28 D HN 0.351 8.455 8.370 -0.444 0.000 0.517 29 T N 2.201 116.685 114.554 -0.117 0.000 3.473 29 T HA 0.087 4.425 4.350 -0.019 0.000 0.247 29 T C 0.544 175.260 174.700 0.026 0.000 1.010 29 T CA 0.125 62.204 62.100 -0.034 0.000 0.940 29 T CB -0.893 67.956 68.868 -0.031 0.000 1.068 29 T HN 0.202 8.366 8.240 -0.127 0.000 0.604 30 S N 1.011 116.719 115.700 0.013 0.000 2.404 30 S HA -0.044 4.452 4.470 0.043 0.000 0.223 30 S C 0.857 175.500 174.600 0.073 0.000 1.040 30 S CA 1.039 59.261 58.200 0.036 0.000 0.957 30 S CB 0.473 63.681 63.200 0.013 0.000 0.826 30 S HN -0.316 8.049 8.310 -0.013 -0.063 0.491 31 T N 2.308 116.905 114.554 0.070 0.000 2.918 31 T HA 0.098 4.524 4.350 0.127 0.000 0.283 31 T C -2.197 172.627 174.700 0.207 0.000 1.001 31 T CA -0.308 61.859 62.100 0.111 0.000 1.041 31 T CB 1.374 70.277 68.868 0.058 0.000 1.028 31 T HN -0.561 7.702 8.240 0.038 0.000 0.511 32 W N 4.143 125.467 121.300 0.040 0.000 3.425 32 W HA 0.308 5.118 4.660 0.064 -0.112 0.318 32 W C -2.072 174.496 176.519 0.082 0.000 1.201 32 W CA -1.947 55.437 57.345 0.064 0.000 1.212 32 W CB 2.277 31.779 29.460 0.071 0.000 1.355 32 W HN 0.194 8.560 8.180 0.310 0.000 0.515 33 P HA 0.039 3.068 4.420 -2.318 0.000 0.265 33 P C -1.684 175.368 177.300 -0.414 0.000 1.193 33 P CA -0.450 61.895 63.100 -1.258 0.000 0.765 33 P CB 0.543 31.642 31.700 -1.001 0.000 0.823 34 V N 1.973 121.723 119.914 -0.273 0.000 2.752 34 V HA -0.334 3.858 4.120 -0.064 -0.111 0.306 34 V C 0.803 176.883 176.094 -0.024 0.000 1.099 34 V CA 0.395 62.634 62.300 -0.101 0.000 1.240 34 V CB -0.424 31.304 31.823 -0.158 0.000 0.887 34 V HN 0.135 8.129 8.190 -0.326 0.000 0.499 35 V N 6.043 125.962 119.914 0.009 0.000 2.488 35 V HA -0.107 4.060 4.120 0.079 0.000 0.277 35 V C -0.898 175.324 176.094 0.213 0.000 1.046 35 V CA 0.039 62.385 62.300 0.077 0.000 0.986 35 V CB -0.018 31.823 31.823 0.029 0.000 0.989 35 V HN 0.476 8.655 8.190 -0.018 0.000 0.475 36 F N 10.136 130.173 119.950 0.145 0.000 2.444 36 F HA 0.153 4.945 4.527 0.441 0.000 0.360 36 F C -1.409 174.441 175.800 0.083 0.000 1.106 36 F CA -3.135 54.989 58.000 0.207 0.000 1.170 36 F CB 1.179 40.216 39.000 0.061 0.000 1.113 36 F HN 0.080 8.597 8.300 0.363 0.000 0.521 37 P HA -0.111 4.198 4.420 -0.185 0.000 0.265 37 P C -1.699 175.410 177.300 -0.319 0.000 1.187 37 P CA -0.217 62.683 63.100 -0.334 0.000 0.766 37 P CB 0.734 32.203 31.700 -0.385 0.000 0.820 38 E N 2.171 122.269 120.200 -0.169 0.000 2.220 38 E HA -0.109 4.195 4.350 -0.077 0.000 0.272 38 E C -0.541 175.945 176.600 -0.190 0.000 1.099 38 E CA -0.058 56.269 56.400 -0.122 0.000 0.907 38 E CB -0.168 29.487 29.700 -0.075 0.000 1.022 38 E HN 0.143 8.421 8.360 -0.136 0.000 0.428 39 L N 7.250 128.363 121.223 -0.184 0.000 2.399 39 L HA 0.242 4.329 4.340 -0.422 0.000 0.266 39 L C -1.505 175.267 176.870 -0.163 0.000 1.114 39 L CA -2.132 52.551 54.840 -0.261 0.000 0.804 39 L CB -0.386 41.575 42.059 -0.163 0.000 1.146 39 L HN 0.085 8.243 8.230 -0.119 0.000 0.451 40 P HA -0.042 4.344 4.420 -0.057 0.000 0.267 40 P C -0.898 176.412 177.300 0.016 0.000 1.201 40 P CA -0.122 62.949 63.100 -0.048 0.000 0.775 40 P CB 0.430 32.148 31.700 0.030 0.000 0.854 41 A N 1.074 123.907 122.820 0.022 0.000 2.296 41 A HA -0.018 4.310 4.320 0.013 0.000 0.264 41 A C -0.330 177.294 177.584 0.066 0.000 1.097 41 A CA -0.194 51.861 52.037 0.029 0.000 0.811 41 A CB 0.461 19.474 19.000 0.021 0.000 1.072 41 A HN 0.020 8.180 8.150 0.016 0.000 0.495 42 A N 0.187 123.051 122.820 0.073 0.000 2.311 42 A HA 0.319 4.710 4.320 0.118 0.000 0.334 42 A C -1.873 175.833 177.584 0.203 0.000 1.139 42 A CA -1.208 50.908 52.037 0.131 0.000 0.830 42 A CB -0.050 19.035 19.000 0.142 0.000 1.234 42 A HN 0.138 8.314 8.150 0.042 0.000 0.483 43 P HA -0.035 4.451 4.420 0.108 0.000 0.217 43 P C -0.789 176.584 177.300 0.121 0.000 1.150 43 P CA 1.817 64.994 63.100 0.129 0.000 0.832 43 P CB -0.086 31.650 31.700 0.059 0.000 0.787 44 Y N -4.289 116.016 120.300 0.009 0.000 2.773 44 Y HA 0.773 5.287 4.550 0.013 0.043 0.323 44 Y C -0.050 175.854 175.900 0.007 0.000 1.183 44 Y CA -1.419 56.688 58.100 0.010 0.000 1.144 44 Y CB 0.666 39.133 38.460 0.012 0.000 1.340 44 Y HN -0.042 7.959 8.280 -0.465 0.000 0.531 45 G N -1.993 106.881 108.800 0.122 0.000 2.539 45 G HA2 0.345 4.489 3.960 0.305 0.000 0.686 45 G HA3 0.345 4.393 3.960 0.147 0.000 0.686 45 G C -1.918 173.164 174.900 0.304 0.000 1.258 45 G CA -0.185 45.063 45.100 0.246 0.000 0.846 45 G HN 1.018 9.340 8.290 0.052 0.000 0.647 46 G N -0.812 108.084 108.800 0.159 0.000 2.861 46 G HA2 -0.031 3.983 3.960 0.090 0.000 0.160 46 G HA3 -0.031 3.999 3.960 0.116 0.000 0.160 46 G C -2.936 171.992 174.900 0.046 0.000 1.570 46 G CA 0.133 45.295 45.100 0.103 0.000 0.925 46 G HN 0.116 8.479 8.290 0.121 0.000 0.754 47 P HA 0.157 4.787 4.420 0.015 -0.201 0.276 47 P C -0.972 176.354 177.300 0.043 0.000 1.243 47 P CA -0.494 62.621 63.100 0.025 0.000 0.768 47 P CB 0.293 32.002 31.700 0.015 0.000 0.856 48 C N 3.741 123.073 119.300 0.054 0.000 2.657 48 C HA -0.136 4.384 4.460 0.099 0.000 0.404 48 C C 0.294 175.349 174.990 0.108 0.000 1.291 48 C CA 0.274 59.349 59.018 0.096 0.000 2.218 48 C CB 1.640 29.449 27.740 0.115 0.000 2.687 48 C HN -0.009 8.247 8.230 0.044 0.000 0.634 49 R N 2.785 123.363 120.500 0.131 0.000 2.543 49 R HA 0.108 4.472 4.340 0.040 0.000 0.277 49 R C -1.854 174.571 176.300 0.209 0.000 1.074 49 R CA -1.198 54.948 56.100 0.077 0.000 1.076 49 R CB 0.378 30.588 30.300 -0.151 0.000 0.993 49 R HN 0.418 8.781 8.270 0.154 0.000 0.459 50 P HA 0.242 4.809 4.420 0.244 0.000 0.279 50 P C -2.248 175.218 177.300 0.277 0.000 1.239 50 P CA -1.776 61.451 63.100 0.212 0.000 0.789 50 P CB -0.510 31.280 31.700 0.149 0.000 0.933 51 P HA -0.139 4.578 4.420 0.402 -0.056 0.267 51 P C -0.526 176.924 177.300 0.250 0.000 1.201 51 P CA 0.024 63.259 63.100 0.225 0.000 0.775 51 P CB 0.807 32.472 31.700 -0.057 0.000 0.854 52 Q N -0.925 119.042 119.800 0.279 0.000 2.306 52 Q HA 0.096 4.584 4.340 0.247 0.000 0.241 52 Q C -0.447 175.687 176.000 0.223 0.000 0.948 52 Q CA -1.347 54.599 55.803 0.237 0.000 0.886 52 Q CB 1.233 30.095 28.738 0.208 0.000 1.227 52 Q HN -0.240 8.230 8.270 0.333 0.000 0.457 53 H N 3.563 122.703 119.070 0.117 0.000 2.983 53 H HA -0.063 4.749 4.556 0.077 -0.210 0.361 53 H C 2.021 177.378 175.328 0.049 0.000 1.145 53 H CA 0.925 57.008 56.048 0.059 0.000 1.404 53 H CB 1.443 31.189 29.762 -0.027 0.000 1.356 53 H HN 0.481 8.956 8.280 0.326 0.000 0.612 54 T N 3.061 117.233 114.554 -0.638 0.000 2.929 54 T HA -0.214 4.006 4.350 -0.217 0.000 0.271 54 T C 0.875 175.417 174.700 -0.264 0.000 1.085 54 T CA 2.743 64.600 62.100 -0.404 0.000 1.125 54 T CB -0.249 68.364 68.868 -0.426 0.000 0.874 54 T HN 0.363 7.945 8.240 -1.097 0.000 0.494 55 S N -0.476 115.079 115.700 -0.243 0.000 2.501 55 S HA -0.044 4.421 4.470 -0.009 0.000 0.220 55 S C 0.318 174.973 174.600 0.091 0.000 0.997 55 S CA 0.793 59.012 58.200 0.032 0.000 0.919 55 S CB 0.729 64.065 63.200 0.227 0.000 0.778 55 S HN -0.634 7.375 8.310 -0.436 0.039 0.523 56 K N -2.497 117.974 120.400 0.119 0.000 3.230 56 K HA -0.390 4.071 4.320 0.150 -0.051 0.285 56 K C -0.699 176.003 176.600 0.169 0.000 1.196 56 K CA 0.618 56.985 56.287 0.134 0.000 0.838 56 K CB -2.636 29.915 32.500 0.084 0.000 1.262 56 K HN -0.334 7.814 8.250 0.114 0.170 0.492 57 A N -0.930 122.026 122.820 0.228 0.000 2.466 57 A HA -0.146 4.292 4.320 0.196 0.000 0.238 57 A C -1.662 176.127 177.584 0.343 0.000 1.074 57 A CA 0.852 53.046 52.037 0.261 0.000 0.774 57 A CB 0.737 19.903 19.000 0.276 0.000 1.015 57 A HN -0.463 7.803 8.150 0.258 0.039 0.498 58 A N 0.063 123.031 122.820 0.248 0.000 2.355 58 A HA 0.403 4.808 4.320 0.142 0.000 0.324 58 A C -0.916 176.507 177.584 -0.270 0.000 1.117 58 A CA -1.111 50.972 52.037 0.077 0.000 0.785 58 A CB 2.238 21.237 19.000 -0.001 0.000 1.254 58 A HN 0.053 8.318 8.150 0.192 0.000 0.453 59 A N 0.267 122.633 122.820 -0.757 0.000 2.492 59 A HA 0.014 2.779 4.320 -2.592 0.000 0.236 59 A C -1.977 175.193 177.584 -0.690 0.000 1.078 59 A CA -0.780 50.424 52.037 -1.389 0.000 0.773 59 A CB -0.867 17.511 19.000 -1.036 0.000 1.023 59 A HN -0.023 7.813 8.150 -0.524 0.000 0.504 60 P HA 0.099 4.360 4.420 -0.266 0.000 0.296 60 P C -1.416 175.683 177.300 -0.336 0.000 1.306 60 P CA -0.867 62.027 63.100 -0.344 0.000 0.818 60 P CB 1.264 32.818 31.700 -0.243 0.000 0.969 61 R N 2.117 122.432 120.500 -0.309 0.000 2.446 61 R HA -0.206 4.067 4.340 -0.403 -0.176 0.325 61 R C -0.674 175.288 176.300 -0.564 0.000 0.997 61 R CA 0.617 56.449 56.100 -0.447 0.000 1.010 61 R CB -0.360 29.667 30.300 -0.455 0.000 0.946 61 R HN 0.196 8.311 8.270 -0.259 0.000 0.422 62 I N 6.099 126.353 120.570 -0.526 0.000 2.534 62 I HA 0.239 4.158 4.170 -0.419 0.000 0.288 62 I C -2.345 173.612 176.117 -0.267 0.000 1.077 62 I CA -3.753 57.319 61.300 -0.380 0.000 1.051 62 I CB 2.552 40.448 38.000 -0.174 0.000 1.234 62 I HN -0.435 7.769 8.210 -0.437 -0.256 0.425 63 P HA -0.032 4.748 4.420 0.600 0.000 0.266 63 P C -0.148 177.238 177.300 0.143 0.000 1.193 63 P CA -0.181 63.063 63.100 0.239 0.000 0.770 63 P CB 0.762 32.610 31.700 0.246 0.000 0.836 64 A N 1.658 124.579 122.820 0.167 0.000 2.125 64 A HA -0.222 4.153 4.320 0.093 0.000 0.219 64 A C 0.462 178.101 177.584 0.092 0.000 1.156 64 A CA 2.213 54.313 52.037 0.107 0.000 0.671 64 A CB -0.476 18.579 19.000 0.092 0.000 0.794 64 A HN 0.385 8.661 8.150 0.211 0.000 0.459 65 D N -6.636 113.820 120.400 0.093 0.000 2.354 65 D HA -0.079 4.603 4.640 0.071 0.000 0.209 65 D C 0.236 176.582 176.300 0.077 0.000 1.015 65 D CA 0.979 55.023 54.000 0.075 0.000 0.867 65 D CB -0.734 40.102 40.800 0.059 0.000 0.933 65 D HN 0.062 8.445 8.370 0.108 0.051 0.520 66 R N -2.163 118.385 120.500 0.081 0.000 2.312 66 R HA 0.081 4.456 4.340 0.059 0.000 0.205 66 R C 0.649 177.046 176.300 0.161 0.000 0.904 66 R CA -0.321 55.825 56.100 0.077 0.000 1.052 66 R CB 0.636 30.956 30.300 0.033 0.000 1.014 66 R HN -0.730 7.478 8.270 0.081 0.110 0.503 67 L N 1.584 122.896 121.223 0.150 0.000 2.418 67 L HA 0.169 4.612 4.340 0.172 0.000 0.265 67 L C -2.205 174.768 176.870 0.172 0.000 1.143 67 L CA -2.026 52.907 54.840 0.155 0.000 0.809 67 L CB -0.105 42.004 42.059 0.084 0.000 1.124 67 L HN -0.751 7.503 8.230 0.117 0.046 0.456 68 P HA -0.010 4.252 4.420 -0.263 0.000 0.271 68 P C -1.103 176.183 177.300 -0.023 0.000 1.226 68 P CA -0.351 62.612 63.100 -0.228 0.000 0.765 68 P CB 0.654 32.055 31.700 -0.498 0.000 0.835 69 N N 2.591 121.312 118.700 0.034 0.000 2.223 69 N HA -0.282 4.546 4.740 0.147 0.000 0.185 69 N C -1.194 174.449 175.510 0.221 0.000 1.016 69 N CA 1.379 54.502 53.050 0.121 0.000 0.863 69 N CB 1.169 39.701 38.487 0.075 0.000 0.983 69 N HN -0.047 8.522 8.380 0.025 -0.173 0.429 70 H N -2.864 116.194 119.070 -0.020 0.000 3.172 70 H HA 0.369 5.207 4.556 0.131 -0.204 0.322 70 H C -1.809 173.464 175.328 -0.091 0.000 1.003 70 H CA -1.664 54.383 56.048 -0.001 0.000 1.466 70 H CB 1.773 31.474 29.762 -0.102 0.000 1.673 70 H HN -0.793 7.633 8.280 0.057 -0.111 0.512 71 V N 7.963 127.802 119.914 -0.125 0.000 2.364 71 V HA 0.256 4.330 4.120 -0.323 -0.148 0.272 71 V C -1.584 174.288 176.094 -0.371 0.000 1.036 71 V CA -1.153 60.997 62.300 -0.251 0.000 0.880 71 V CB -0.033 31.740 31.823 -0.084 0.000 0.991 71 V HN 0.168 8.391 8.190 0.056 0.000 0.460 72 A N 8.884 131.357 122.820 -0.578 0.000 2.290 72 A HA 0.455 4.664 4.320 -0.408 -0.133 0.310 72 A C -2.085 175.247 177.584 -0.419 0.000 1.202 72 A CA -1.585 50.097 52.037 -0.591 0.000 0.837 72 A CB 2.148 20.510 19.000 -1.064 0.000 1.139 72 A HN 0.248 8.023 8.150 -0.626 0.000 0.509 73 I N 2.715 123.205 120.570 -0.135 0.000 2.447 73 I HA 0.278 4.513 4.170 -0.173 -0.169 0.287 73 I C -1.480 174.514 176.117 -0.205 0.000 1.023 73 I CA -1.062 60.150 61.300 -0.147 0.000 1.083 73 I CB 3.191 41.138 38.000 -0.088 0.000 1.245 73 I HN 0.219 8.428 8.210 -0.001 0.000 0.434 74 V N 8.701 128.502 119.914 -0.189 0.000 2.304 74 V HA 0.111 4.032 4.120 -0.330 0.000 0.262 74 V C -1.319 174.569 176.094 -0.343 0.000 1.061 74 V CA -0.930 61.245 62.300 -0.209 0.000 0.872 74 V CB -0.275 31.600 31.823 0.086 0.000 1.077 74 V HN 0.516 8.638 8.190 -0.114 0.000 0.480 75 M N 7.474 126.679 119.600 -0.658 0.000 2.252 75 M HA -0.159 3.572 4.480 -1.249 0.000 0.348 75 M C -1.370 174.639 176.300 -0.484 0.000 1.334 75 M CA 1.480 56.155 55.300 -1.041 0.000 1.071 75 M CB 0.395 32.043 32.600 -1.586 0.000 1.763 75 M HN -0.195 7.693 8.290 -0.670 0.000 0.452 76 D N 3.150 123.405 120.400 -0.242 0.000 2.937 76 D HA 0.100 4.691 4.640 -0.082 0.000 0.215 76 D C -0.588 175.752 176.300 0.066 0.000 1.274 76 D CA 0.039 54.005 54.000 -0.057 0.000 0.869 76 D CB 3.013 43.804 40.800 -0.015 0.000 1.675 76 D HN -0.093 8.180 8.370 -0.162 0.000 0.538 77 G N 4.026 112.857 108.800 0.053 0.000 2.143 77 G HA2 -0.355 3.683 3.960 0.130 0.000 0.175 77 G HA3 -0.355 3.645 3.960 0.067 0.000 0.175 77 G C -0.147 174.813 174.900 0.101 0.000 1.004 77 G CA 0.277 45.431 45.100 0.091 0.000 0.671 77 G HN 0.413 8.714 8.290 0.018 0.000 0.512 78 N N 0.844 119.537 118.700 -0.012 0.000 2.109 78 N HA -0.255 4.482 4.740 -0.004 0.000 0.188 78 N C 1.601 176.999 175.510 -0.186 0.000 1.034 78 N CA 3.276 56.238 53.050 -0.147 0.000 0.846 78 N CB -0.129 38.061 38.487 -0.496 0.000 1.010 78 N HN 0.161 8.519 8.380 -0.037 0.000 0.425 79 G N 0.429 109.059 108.800 -0.284 0.000 2.442 79 G HA2 -0.276 3.633 3.960 -0.085 0.000 0.219 79 G HA3 -0.276 3.798 3.960 -0.169 -0.216 0.219 79 G C 1.305 176.186 174.900 -0.031 0.000 1.141 79 G CA 2.151 47.168 45.100 -0.138 0.000 0.763 79 G HN 0.510 8.612 8.290 -0.314 0.000 0.554 80 R N -0.251 120.256 120.500 0.013 0.000 2.200 80 R HA -0.093 4.248 4.340 0.002 0.000 0.208 80 R C 1.713 178.055 176.300 0.070 0.000 1.033 80 R CA 1.921 58.039 56.100 0.032 0.000 1.000 80 R CB -0.252 30.071 30.300 0.038 0.000 0.906 80 R HN -0.005 8.263 8.270 0.015 0.011 0.462 81 W N 0.937 122.200 121.300 -0.062 0.000 2.409 81 W HA -0.317 4.326 4.660 -0.028 0.000 0.299 81 W C 0.769 177.251 176.519 -0.063 0.000 1.203 81 W CA 4.354 61.672 57.345 -0.045 0.000 1.298 81 W CB -0.048 29.394 29.460 -0.031 0.000 1.127 81 W HN -0.360 7.864 8.180 0.262 0.114 0.528 82 A N -2.803 120.099 122.820 0.137 0.000 1.898 82 A HA -0.315 3.956 4.320 -0.082 0.000 0.216 82 A C 2.247 179.749 177.584 -0.138 0.000 1.181 82 A CA 3.174 55.197 52.037 -0.024 0.000 0.620 82 A CB -0.883 18.127 19.000 0.017 0.000 0.819 82 A HN -0.337 7.936 8.150 0.205 0.000 0.442 83 T N 0.621 115.118 114.554 -0.094 0.000 2.915 83 T HA -0.232 4.063 4.350 -0.092 0.000 0.269 83 T C 2.185 176.813 174.700 -0.120 0.000 1.071 83 T CA 4.058 66.102 62.100 -0.094 0.000 1.132 83 T CB -0.004 68.828 68.868 -0.060 0.000 0.878 83 T HN -0.540 7.665 8.240 -0.058 0.000 0.479 84 Q N 0.020 119.723 119.800 -0.161 0.000 2.482 84 Q HA -0.098 4.166 4.340 -0.127 0.000 0.209 84 Q C 1.008 176.882 176.000 -0.209 0.000 0.961 84 Q CA 1.926 57.626 55.803 -0.170 0.000 0.945 84 Q CB -0.381 28.246 28.738 -0.185 0.000 1.012 84 Q HN -0.455 7.708 8.270 -0.179 0.000 0.515 85 R N -2.778 117.580 120.500 -0.236 0.000 2.509 85 R HA 0.184 4.389 4.340 -0.225 0.000 0.297 85 R C -0.002 176.200 176.300 -0.164 0.000 0.951 85 R CA -0.240 55.715 56.100 -0.242 0.000 1.103 85 R CB 0.849 30.929 30.300 -0.366 0.000 1.283 85 R HN -0.306 7.738 8.270 -0.223 0.092 0.534 86 G N -0.086 108.634 108.800 -0.133 0.000 2.132 86 G HA2 -0.378 3.526 3.960 -0.093 0.000 0.228 86 G HA3 -0.378 3.529 3.960 -0.088 0.000 0.228 86 G C -0.595 174.247 174.900 -0.096 0.000 1.000 86 G CA 0.298 45.338 45.100 -0.100 0.000 0.693 86 G HN -0.469 7.740 8.290 -0.134 0.000 0.515 87 L N -1.793 119.365 121.223 -0.109 0.000 2.298 87 L HA 0.260 4.543 4.340 -0.095 0.000 0.268 87 L C -0.827 175.986 176.870 -0.095 0.000 1.010 87 L CA -1.506 53.273 54.840 -0.101 0.000 0.812 87 L CB 1.837 43.834 42.059 -0.105 0.000 1.331 87 L HN -0.792 7.365 8.230 -0.121 0.000 0.450 88 A N -0.997 121.758 122.820 -0.108 0.000 2.354 88 A HA 0.148 4.409 4.320 -0.098 0.000 0.269 88 A C 1.220 178.730 177.584 -0.124 0.000 1.109 88 A CA -0.164 51.802 52.037 -0.119 0.000 0.800 88 A CB 0.672 19.580 19.000 -0.153 0.000 1.045 88 A HN 0.294 8.375 8.150 -0.116 0.000 0.489 89 R N 2.350 122.790 120.500 -0.099 0.000 2.165 89 R HA -0.426 4.030 4.340 -0.073 -0.160 0.254 89 R C 2.058 178.291 176.300 -0.111 0.000 1.153 89 R CA 3.601 59.652 56.100 -0.081 0.000 0.971 89 R CB -0.405 29.875 30.300 -0.032 0.000 0.878 89 R HN 0.659 8.878 8.270 -0.085 0.000 0.449 90 T N -6.180 108.260 114.554 -0.189 0.000 3.035 90 T HA -0.150 4.259 4.350 0.099 0.000 0.268 90 T C 1.054 175.535 174.700 -0.365 0.000 1.109 90 T CA 2.492 64.398 62.100 -0.323 0.000 1.119 90 T CB -0.680 67.559 68.868 -1.048 0.000 0.900 90 T HN -0.130 7.944 8.240 -0.233 0.027 0.503 91 E N -0.052 119.976 120.200 -0.287 0.000 2.208 91 E HA -0.162 4.000 4.350 -0.314 0.000 0.193 91 E C 2.150 178.704 176.600 -0.076 0.000 0.988 91 E CA 2.428 58.694 56.400 -0.222 0.000 0.828 91 E CB -0.493 29.105 29.700 -0.170 0.000 0.763 91 E HN -0.419 7.754 8.360 -0.248 0.038 0.478 92 G N -1.556 107.237 108.800 -0.011 0.000 2.418 92 G HA2 -0.244 3.994 3.960 0.064 0.000 0.217 92 G HA3 -0.244 3.837 3.960 0.203 0.000 0.217 92 G C 1.566 176.423 174.900 -0.072 0.000 1.158 92 G CA 1.902 47.033 45.100 0.050 0.000 0.771 92 G HN -0.542 7.703 8.290 -0.049 0.016 0.545 93 H N 0.645 119.744 119.070 0.049 0.000 2.489 93 H HA -0.241 4.569 4.556 0.169 -0.152 0.293 93 H C 1.745 177.128 175.328 0.092 0.000 1.066 93 H CA 2.488 58.602 56.048 0.111 0.000 1.305 93 H CB -0.331 29.529 29.762 0.163 0.000 1.386 93 H HN -0.175 8.025 8.280 -0.134 0.000 0.551 94 K N -1.790 118.647 120.400 0.062 0.000 2.167 94 K HA -0.181 4.303 4.320 0.272 0.000 0.203 94 K C 1.570 178.383 176.600 0.354 0.000 1.052 94 K CA 2.427 58.799 56.287 0.141 0.000 0.956 94 K CB 0.064 32.362 32.500 -0.337 0.000 0.735 94 K HN -0.557 7.529 8.250 -0.010 0.158 0.451 95 M N -2.647 116.995 119.600 0.070 0.000 2.659 95 M HA 0.021 4.543 4.480 0.071 0.000 0.243 95 M C 1.520 177.813 176.300 -0.011 0.000 1.111 95 M CA -0.508 54.761 55.300 -0.052 0.000 1.070 95 M CB -1.483 30.810 32.600 -0.513 0.000 1.525 95 M HN -0.552 7.626 8.290 -0.034 0.092 0.517 96 G N -0.859 108.061 108.800 0.200 0.000 2.459 96 G HA2 -0.193 4.089 3.960 0.536 0.000 0.213 96 G HA3 -0.193 3.906 3.960 0.231 0.000 0.213 96 G C 0.282 175.457 174.900 0.457 0.000 1.155 96 G CA 1.098 46.423 45.100 0.375 0.000 0.811 96 G HN -0.703 7.542 8.290 0.268 0.206 0.534 97 E N 2.914 123.419 120.200 0.508 0.000 2.160 97 E HA -0.423 4.168 4.350 0.402 0.000 0.195 97 E C 1.398 178.187 176.600 0.315 0.000 0.991 97 E CA 3.126 59.781 56.400 0.426 0.000 0.810 97 E CB -0.233 29.747 29.700 0.467 0.000 0.742 97 E HN -0.469 8.249 8.360 0.596 0.000 0.466 98 A N -1.715 121.263 122.820 0.263 0.000 1.930 98 A HA -0.126 4.386 4.320 0.319 0.000 0.215 98 A C 2.246 179.956 177.584 0.210 0.000 1.176 98 A CA 3.039 55.201 52.037 0.209 0.000 0.632 98 A CB -0.799 18.216 19.000 0.026 0.000 0.819 98 A HN 0.170 8.458 8.150 0.262 0.019 0.445 99 V N -0.456 119.498 119.914 0.068 0.000 2.427 99 V HA -0.404 3.657 4.120 -0.097 0.000 0.248 99 V C 1.896 178.043 176.094 0.089 0.000 1.051 99 V CA 3.821 66.057 62.300 -0.108 0.000 1.048 99 V CB -0.136 31.314 31.823 -0.623 0.000 0.666 99 V HN -0.819 7.314 8.190 0.052 0.088 0.456 100 V N 0.934 121.053 119.914 0.341 0.000 2.219 100 V HA -0.516 3.971 4.120 0.612 0.000 0.248 100 V C 1.914 178.173 176.094 0.275 0.000 1.053 100 V CA 4.991 67.558 62.300 0.446 0.000 1.009 100 V CB -0.345 31.732 31.823 0.424 0.000 0.636 100 V HN -0.149 8.272 8.190 0.385 0.000 0.445 101 I N -2.279 118.431 120.570 0.232 0.000 2.335 101 I HA -0.507 3.680 4.170 0.028 0.000 0.251 101 I C 2.276 178.455 176.117 0.104 0.000 1.129 101 I CA 2.187 63.547 61.300 0.101 0.000 1.402 101 I CB -1.714 36.309 38.000 0.038 0.000 1.069 101 I HN -0.869 7.501 8.210 0.267 0.000 0.424 102 D N 1.117 121.694 120.400 0.295 0.000 2.077 102 D HA -0.304 4.540 4.640 0.341 0.000 0.193 102 D C 2.422 178.769 176.300 0.079 0.000 0.989 102 D CA 3.454 57.611 54.000 0.262 0.000 0.831 102 D CB 0.019 40.955 40.800 0.227 0.000 0.979 102 D HN -0.574 7.914 8.370 0.366 0.101 0.449 103 I N -0.318 120.291 120.570 0.064 0.000 2.315 103 I HA -0.514 3.628 4.170 -0.046 0.000 0.251 103 I C 1.627 177.805 176.117 0.101 0.000 1.125 103 I CA 3.297 64.635 61.300 0.063 0.000 1.392 103 I CB -0.295 37.837 38.000 0.219 0.000 1.065 103 I HN -0.245 8.018 8.210 0.087 0.000 0.424 104 A N -0.545 122.342 122.820 0.112 0.000 1.873 104 A HA -0.250 4.132 4.320 0.103 0.000 0.215 104 A C 1.815 179.444 177.584 0.074 0.000 1.186 104 A CA 3.423 55.512 52.037 0.087 0.000 0.616 104 A CB -1.139 17.890 19.000 0.049 0.000 0.823 104 A HN -0.154 7.959 8.150 0.121 0.109 0.442 105 C N -2.715 116.621 119.300 0.060 0.000 2.432 105 C HA -0.310 4.202 4.460 0.087 0.000 0.282 105 C C 2.380 177.468 174.990 0.163 0.000 1.388 105 C CA 4.735 63.808 59.018 0.091 0.000 1.777 105 C CB -0.355 27.432 27.740 0.079 0.000 1.882 105 C HN -0.220 8.036 8.230 0.043 0.000 0.520 106 G N -1.217 107.667 108.800 0.139 0.000 2.408 106 G HA2 -0.211 3.747 3.960 -0.004 0.000 0.215 106 G HA3 -0.211 4.011 3.960 0.436 0.000 0.215 106 G C 0.758 175.943 174.900 0.475 0.000 1.156 106 G CA 1.354 46.610 45.100 0.259 0.000 0.793 106 G HN -0.214 7.967 8.290 0.081 0.157 0.535 107 A N 2.552 125.533 122.820 0.268 0.000 1.898 107 A HA -0.272 4.216 4.320 0.281 0.000 0.216 107 A C 1.606 179.290 177.584 0.166 0.000 1.181 107 A CA 2.669 54.843 52.037 0.228 0.000 0.620 107 A CB -0.334 18.759 19.000 0.155 0.000 0.819 107 A HN -0.342 7.922 8.150 0.191 0.000 0.442 108 I N -1.337 119.312 120.570 0.132 0.000 2.091 108 I HA -0.602 3.603 4.170 0.059 0.000 0.239 108 I C 2.688 178.859 176.117 0.090 0.000 1.061 108 I CA 4.252 65.604 61.300 0.086 0.000 1.317 108 I CB -0.080 37.962 38.000 0.070 0.000 1.031 108 I HN -0.494 7.793 8.210 0.129 0.000 0.401 109 E N -1.424 118.862 120.200 0.142 0.000 2.130 109 E HA -0.420 3.961 4.350 0.051 0.000 0.196 109 E C 2.175 178.769 176.600 -0.010 0.000 0.998 109 E CA 2.896 59.355 56.400 0.099 0.000 0.806 109 E CB -0.091 29.750 29.700 0.234 0.000 0.738 109 E HN -0.684 7.791 8.360 0.192 0.000 0.459 110 L N -3.168 118.077 121.223 0.038 0.000 2.313 110 L HA -0.092 4.070 4.340 -0.297 0.000 0.214 110 L C 0.146 176.990 176.870 -0.043 0.000 1.119 110 L CA 0.607 55.384 54.840 -0.104 0.000 0.809 110 L CB 0.763 42.831 42.059 0.016 0.000 0.933 110 L HN -0.523 7.678 8.230 0.170 0.130 0.449 111 G N -1.655 107.155 108.800 0.016 0.000 2.356 111 G HA2 -0.323 3.647 3.960 0.016 0.000 0.233 111 G HA3 -0.323 3.653 3.960 0.026 0.000 0.233 111 G C -0.696 174.233 174.900 0.048 0.000 1.105 111 G CA -0.116 44.999 45.100 0.025 0.000 0.861 111 G HN -0.547 7.738 8.290 0.039 0.028 0.493 112 I N -0.847 119.762 120.570 0.065 0.000 2.377 112 I HA -0.010 4.214 4.170 0.090 0.000 0.293 112 I C -0.818 175.343 176.117 0.073 0.000 0.987 112 I CA -0.802 60.549 61.300 0.086 0.000 1.185 112 I CB 1.703 39.766 38.000 0.105 0.000 1.341 112 I HN -0.464 7.787 8.210 0.069 0.000 0.455 113 K N 2.333 122.804 120.400 0.118 0.000 2.242 113 K HA 0.252 4.538 4.320 -0.057 0.000 0.200 113 K C -0.561 175.956 176.600 -0.138 0.000 1.050 113 K CA -0.123 56.187 56.287 0.039 0.000 0.981 113 K CB 1.452 34.077 32.500 0.210 0.000 0.795 113 K HN -0.019 8.334 8.250 0.173 0.000 0.477 114 W N -3.231 118.103 121.300 0.056 0.000 2.839 114 W HA 0.403 5.251 4.660 0.047 -0.160 0.334 114 W C -2.049 174.598 176.519 0.213 0.000 1.064 114 W CA -0.679 56.719 57.345 0.089 0.000 1.236 114 W CB 3.093 32.524 29.460 -0.048 0.000 1.405 114 W HN -0.335 8.089 8.180 0.407 0.000 0.478 115 L N 3.920 125.348 121.223 0.342 0.000 2.441 115 L HA 0.848 5.520 4.340 0.200 -0.213 0.270 115 L C -2.182 174.821 176.870 0.222 0.000 0.973 115 L CA -1.052 53.925 54.840 0.229 0.000 0.842 115 L CB 3.613 45.759 42.059 0.146 0.000 1.239 115 L HN 0.560 8.948 8.230 0.264 0.000 0.406 116 S N 7.025 122.819 115.700 0.158 0.000 2.489 116 S HA 0.452 5.174 4.470 0.193 -0.136 0.291 116 S C -1.547 173.142 174.600 0.149 0.000 1.151 116 S CA -0.497 57.799 58.200 0.160 0.000 1.082 116 S CB 1.362 64.592 63.200 0.051 0.000 1.019 116 S HN 0.268 8.610 8.310 0.052 0.000 0.492 117 L N 3.255 124.541 121.223 0.104 0.000 2.376 117 L HA 0.432 4.850 4.340 -0.105 -0.141 0.275 117 L C -1.493 175.223 176.870 -0.257 0.000 0.987 117 L CA -0.933 53.858 54.840 -0.081 0.000 0.828 117 L CB 2.850 44.867 42.059 -0.070 0.000 1.249 117 L HN 0.202 8.495 8.230 0.103 0.000 0.409 118 Y N 5.604 125.476 120.300 -0.713 0.000 2.636 118 Y HA -0.128 3.916 4.550 -0.844 0.000 0.334 118 Y C -0.868 174.680 175.900 -0.587 0.000 1.286 118 Y CA -0.916 56.639 58.100 -0.909 0.000 1.688 118 Y CB 0.147 37.752 38.460 -1.424 0.000 1.662 118 Y HN -0.337 7.657 8.280 -0.475 0.000 0.465 119 A N 4.926 127.473 122.820 -0.454 0.000 1.969 119 A HA -0.216 3.870 4.320 -0.390 0.000 0.218 119 A C -0.931 176.480 177.584 -0.289 0.000 1.169 119 A CA 1.384 53.171 52.037 -0.418 0.000 0.635 119 A CB 1.112 19.766 19.000 -0.576 0.000 0.810 119 A HN -0.062 7.820 8.150 -0.447 0.000 0.445 120 F N -3.044 116.583 119.950 -0.539 0.000 2.656 120 F HA 0.238 4.596 4.527 -0.575 -0.175 0.326 120 F C -2.318 173.210 175.800 -0.453 0.000 1.109 120 F CA -0.715 56.978 58.000 -0.512 0.000 1.086 120 F CB 2.657 41.429 39.000 -0.381 0.000 1.324 120 F HN -0.803 7.300 8.300 -0.328 0.000 0.511 121 S N 4.450 119.704 115.700 -0.744 0.000 2.745 121 S HA 0.782 5.500 4.470 0.097 -0.191 0.292 121 S C 1.305 175.849 174.600 -0.093 0.000 1.133 121 S CA -2.142 55.903 58.200 -0.259 0.000 0.998 121 S CB 2.900 65.934 63.200 -0.277 0.000 1.087 121 S HN -0.141 7.717 8.310 -1.144 -0.234 0.551 122 T N -3.608 111.051 114.554 0.175 0.000 3.227 122 T HA 0.075 4.945 4.350 0.528 -0.204 0.257 122 T C 0.689 175.550 174.700 0.268 0.000 1.162 122 T CA 1.411 63.708 62.100 0.330 0.000 1.051 122 T CB -0.229 68.820 68.868 0.302 0.000 0.953 122 T HN 0.195 8.573 8.240 0.230 0.000 0.535 123 E N 0.166 120.370 120.200 0.007 0.000 2.539 123 E HA 0.214 4.636 4.350 0.120 0.000 0.215 123 E C 0.242 176.739 176.600 -0.172 0.000 0.965 123 E CA 0.346 56.745 56.400 -0.000 0.000 1.019 123 E CB 0.658 30.360 29.700 0.003 0.000 1.059 123 E HN -0.589 7.593 8.360 -0.123 0.105 0.496 124 N N 0.951 119.317 118.700 -0.557 0.000 2.521 124 N HA -0.103 4.351 4.740 -0.476 0.000 0.188 124 N C 1.421 176.664 175.510 -0.444 0.000 1.146 124 N CA 1.730 54.340 53.050 -0.733 0.000 0.893 124 N CB -0.048 37.512 38.487 -1.544 0.000 0.975 124 N HN -0.684 7.242 8.380 -0.757 0.000 0.451 125 W N -2.453 118.828 121.300 -0.032 0.000 2.595 125 W HA -0.173 4.584 4.660 0.161 0.000 0.257 125 W C 0.741 177.289 176.519 0.049 0.000 1.267 125 W CA 0.891 58.294 57.345 0.097 0.000 1.300 125 W CB -0.653 28.889 29.460 0.137 0.000 1.120 125 W HN -0.112 7.966 8.180 -0.061 0.065 0.618 126 K N -3.487 117.024 120.400 0.186 0.000 2.147 126 K HA -0.266 4.137 4.320 0.138 0.000 0.205 126 K C 0.877 177.527 176.600 0.084 0.000 1.049 126 K CA 1.450 57.807 56.287 0.117 0.000 0.936 126 K CB -0.120 32.417 32.500 0.061 0.000 0.722 126 K HN -0.800 7.494 8.250 0.130 0.033 0.446 127 R N -2.298 118.231 120.500 0.048 0.000 2.995 127 R HA -0.140 4.217 4.340 0.028 0.000 0.287 127 R C 0.255 176.604 176.300 0.081 0.000 1.168 127 R CA -0.168 55.953 56.100 0.036 0.000 1.183 127 R CB 0.521 30.815 30.300 -0.009 0.000 1.157 127 R HN -0.751 7.510 8.270 0.015 0.019 0.577 128 S N -1.022 114.720 115.700 0.070 0.000 2.593 128 S HA 0.204 4.727 4.470 0.088 0.000 0.269 128 S C -0.203 174.472 174.600 0.124 0.000 1.334 128 S CA -1.510 56.742 58.200 0.086 0.000 1.015 128 S CB 0.409 63.646 63.200 0.062 0.000 0.912 128 S HN 0.208 8.550 8.310 0.053 0.000 0.541 129 P HA -0.100 4.455 4.420 0.226 0.000 0.223 129 P C 1.185 178.587 177.300 0.171 0.000 1.151 129 P CA 2.088 65.297 63.100 0.181 0.000 0.787 129 P CB 0.058 31.854 31.700 0.160 0.000 0.788 130 E N -2.554 117.722 120.200 0.126 0.000 2.107 130 E HA -0.229 4.201 4.350 0.134 0.000 0.191 130 E C 2.238 178.913 176.600 0.125 0.000 0.982 130 E CA 3.546 60.014 56.400 0.115 0.000 0.809 130 E CB -0.579 29.162 29.700 0.068 0.000 0.756 130 E HN 0.599 8.991 8.360 0.107 0.032 0.459 131 E N -0.436 119.827 120.200 0.106 0.000 2.122 131 E HA -0.234 4.194 4.350 0.131 0.000 0.190 131 E C 1.967 178.640 176.600 0.123 0.000 0.977 131 E CA 2.509 58.977 56.400 0.114 0.000 0.820 131 E CB 0.113 29.856 29.700 0.073 0.000 0.770 131 E HN -0.798 7.619 8.360 0.094 0.000 0.462 132 V N -0.185 119.796 119.914 0.111 0.000 2.490 132 V HA -0.453 3.709 4.120 0.070 0.000 0.250 132 V C 1.598 177.666 176.094 -0.043 0.000 1.061 132 V CA 4.880 67.230 62.300 0.083 0.000 1.064 132 V CB -0.210 31.742 31.823 0.216 0.000 0.670 132 V HN -0.120 8.147 8.190 0.128 0.000 0.461 133 R N -0.402 120.148 120.500 0.084 0.000 2.153 133 R HA -0.239 4.080 4.340 -0.035 0.000 0.218 133 R C 2.119 178.397 176.300 -0.036 0.000 1.072 133 R CA 2.935 59.083 56.100 0.081 0.000 0.990 133 R CB -0.171 30.323 30.300 0.323 0.000 0.889 133 R HN -0.494 7.853 8.270 0.157 0.016 0.452 134 F N 0.816 120.721 119.950 -0.076 0.000 2.187 134 F HA -0.184 4.338 4.527 -0.008 0.000 0.295 134 F C 0.905 176.650 175.800 -0.093 0.000 1.091 134 F CA 2.893 60.860 58.000 -0.055 0.000 1.308 134 F CB 0.468 39.445 39.000 -0.039 0.000 1.030 134 F HN -0.791 7.544 8.300 0.229 0.103 0.487 135 L N -1.488 119.617 121.223 -0.196 0.000 2.056 135 L HA -0.527 3.638 4.340 -0.292 0.000 0.207 135 L C 2.127 178.740 176.870 -0.428 0.000 1.078 135 L CA 3.235 57.909 54.840 -0.277 0.000 0.749 135 L CB -0.437 41.553 42.059 -0.116 0.000 0.901 135 L HN -0.165 8.046 8.230 -0.032 0.000 0.433 136 M N -2.386 116.794 119.600 -0.700 0.000 2.080 136 M HA -0.283 3.677 4.480 -0.866 0.000 0.260 136 M C 2.821 178.723 176.300 -0.663 0.000 1.068 136 M CA 2.602 57.299 55.300 -1.004 0.000 1.109 136 M CB -0.866 30.429 32.600 -2.176 0.000 1.342 136 M HN -0.493 7.369 8.290 -0.713 0.000 0.405 137 G N -3.550 104.913 108.800 -0.562 0.000 2.623 137 G HA2 -0.171 3.758 3.960 -0.052 0.000 0.214 137 G HA3 -0.171 3.761 3.960 -0.048 0.000 0.214 137 G C 0.804 175.626 174.900 -0.129 0.000 1.138 137 G CA 1.191 46.190 45.100 -0.168 0.000 0.794 137 G HN -0.542 7.363 8.290 -0.642 0.000 0.535 138 F N 3.103 122.792 119.950 -0.435 0.000 2.416 138 F HA -0.013 4.352 4.527 -0.271 0.000 0.296 138 F C 0.448 176.127 175.800 -0.202 0.000 1.099 138 F CA 0.971 58.740 58.000 -0.385 0.000 1.427 138 F CB 0.766 39.320 39.000 -0.743 0.000 1.079 138 F HN -0.357 7.637 8.300 -0.291 0.131 0.536 139 N N 0.696 119.238 118.700 -0.263 0.000 2.216 139 N HA -0.313 4.291 4.740 -0.227 0.000 0.183 139 N C 1.654 177.037 175.510 -0.212 0.000 1.017 139 N CA 3.861 56.788 53.050 -0.204 0.000 0.861 139 N CB -0.018 38.421 38.487 -0.079 0.000 0.986 139 N HN -0.210 8.036 8.380 -0.222 0.000 0.428 140 R N -0.212 120.181 120.500 -0.179 0.000 2.083 140 R HA -0.393 3.877 4.340 -0.117 0.000 0.237 140 R C 1.176 177.387 176.300 -0.148 0.000 1.137 140 R CA 3.612 59.637 56.100 -0.125 0.000 0.951 140 R CB -0.100 30.174 30.300 -0.044 0.000 0.851 140 R HN -0.704 7.456 8.270 -0.183 0.000 0.434 141 D N -0.999 119.301 120.400 -0.168 0.000 2.091 141 D HA -0.160 4.412 4.640 -0.113 0.000 0.199 141 D C 2.367 178.516 176.300 -0.250 0.000 0.980 141 D CA 2.977 56.881 54.000 -0.159 0.000 0.831 141 D CB -0.373 40.373 40.800 -0.089 0.000 0.987 141 D HN -0.737 7.529 8.370 -0.173 0.000 0.460 142 V N 1.307 120.971 119.914 -0.417 0.000 2.226 142 V HA -0.530 3.343 4.120 -0.412 0.000 0.254 142 V C 2.123 178.017 176.094 -0.333 0.000 1.065 142 V CA 4.198 66.231 62.300 -0.445 0.000 1.039 142 V CB -0.173 31.294 31.823 -0.593 0.000 0.653 142 V HN -0.449 7.415 8.190 -0.543 0.000 0.450 143 V N -1.605 118.106 119.914 -0.337 0.000 2.231 143 V HA -0.596 3.297 4.120 -0.378 0.000 0.250 143 V C 1.616 177.574 176.094 -0.226 0.000 1.058 143 V CA 4.478 66.591 62.300 -0.311 0.000 1.022 143 V CB -0.228 31.437 31.823 -0.263 0.000 0.640 143 V HN -0.539 7.447 8.190 -0.341 0.000 0.445 144 R N -1.978 118.414 120.500 -0.180 0.000 2.127 144 R HA -0.374 3.891 4.340 -0.126 0.000 0.238 144 R C 1.944 178.159 176.300 -0.141 0.000 1.134 144 R CA 2.626 58.644 56.100 -0.137 0.000 0.975 144 R CB -0.136 30.102 30.300 -0.104 0.000 0.865 144 R HN -0.872 7.292 8.270 -0.177 0.000 0.447 145 R N -3.537 116.864 120.500 -0.166 0.000 2.148 145 R HA -0.195 4.066 4.340 -0.131 0.000 0.223 145 R C 1.611 177.803 176.300 -0.180 0.000 1.088 145 R CA 2.270 58.275 56.100 -0.159 0.000 0.985 145 R CB 0.052 30.246 30.300 -0.177 0.000 0.880 145 R HN -0.171 7.870 8.270 -0.188 0.117 0.451 146 R N -3.900 116.470 120.500 -0.215 0.000 2.335 146 R HA 0.214 4.387 4.340 -0.278 0.000 0.210 146 R C 1.580 177.736 176.300 -0.240 0.000 0.892 146 R CA -1.144 54.803 56.100 -0.255 0.000 1.048 146 R CB -0.515 29.622 30.300 -0.271 0.000 1.067 146 R HN -0.393 7.608 8.270 -0.223 0.135 0.524 147 R N 0.116 120.498 120.500 -0.197 0.000 2.117 147 R HA -0.374 3.863 4.340 -0.170 0.000 0.243 147 R C 1.386 177.597 176.300 -0.149 0.000 1.143 147 R CA 4.471 60.473 56.100 -0.164 0.000 0.968 147 R CB -0.308 29.914 30.300 -0.131 0.000 0.863 147 R HN -0.442 7.716 8.270 -0.187 0.000 0.444 148 D N -3.917 116.394 120.400 -0.148 0.000 2.301 148 D HA 0.008 4.585 4.640 -0.106 0.000 0.206 148 D C 1.853 178.062 176.300 -0.152 0.000 0.979 148 D CA 3.138 57.064 54.000 -0.123 0.000 0.874 148 D CB -0.972 39.772 40.800 -0.094 0.000 0.968 148 D HN 0.260 8.514 8.370 -0.153 0.024 0.510 149 T N 3.809 118.219 114.554 -0.239 0.000 2.668 149 T HA -0.274 3.901 4.350 -0.292 0.000 0.262 149 T C 1.558 176.065 174.700 -0.322 0.000 1.045 149 T CA 4.408 66.278 62.100 -0.384 0.000 1.152 149 T CB -0.050 68.347 68.868 -0.784 0.000 0.864 149 T HN -0.812 7.276 8.240 -0.252 0.000 0.419 150 L N -0.614 120.429 121.223 -0.300 0.000 2.013 150 L HA -0.479 3.730 4.340 -0.220 0.000 0.212 150 L C 1.374 178.159 176.870 -0.141 0.000 1.073 150 L CA 3.065 57.777 54.840 -0.213 0.000 0.753 150 L CB -0.641 41.302 42.059 -0.192 0.000 0.890 150 L HN 0.042 8.085 8.230 -0.312 0.000 0.432 151 K N -0.899 119.425 120.400 -0.127 0.000 2.015 151 K HA -0.414 3.856 4.320 -0.084 0.000 0.216 151 K C 2.720 179.276 176.600 -0.072 0.000 1.052 151 K CA 3.273 59.505 56.287 -0.091 0.000 0.937 151 K CB -0.311 32.139 32.500 -0.084 0.000 0.719 151 K HN -0.512 7.653 8.250 -0.140 0.000 0.446 152 K N -2.223 118.135 120.400 -0.070 0.000 2.209 152 K HA -0.209 4.088 4.320 -0.038 0.000 0.204 152 K C 2.092 178.681 176.600 -0.018 0.000 1.048 152 K CA 2.383 58.646 56.287 -0.040 0.000 0.940 152 K CB -0.349 32.136 32.500 -0.025 0.000 0.729 152 K HN -0.683 7.515 8.250 -0.086 0.000 0.451 153 L N -6.492 114.713 121.223 -0.030 0.000 2.418 153 L HA -0.042 4.452 4.340 0.030 -0.137 0.218 153 L C 0.742 177.606 176.870 -0.011 0.000 1.125 153 L CA 0.691 55.529 54.840 -0.002 0.000 0.835 153 L CB 0.719 42.769 42.059 -0.015 0.000 0.953 153 L HN -0.681 7.366 8.230 -0.060 0.147 0.454 154 G N -4.669 104.112 108.800 -0.033 0.000 2.164 154 G HA2 -0.231 3.711 3.960 -0.030 0.000 0.154 154 G HA3 -0.231 3.707 3.960 -0.037 0.000 0.154 154 G C -0.845 174.017 174.900 -0.063 0.000 1.014 154 G CA -0.473 44.604 45.100 -0.039 0.000 0.683 154 G HN -0.718 7.513 8.290 -0.043 0.033 0.500 155 V N 1.661 121.532 119.914 -0.071 0.000 2.649 155 V HA 0.168 4.417 4.120 -0.094 -0.185 0.292 155 V C -1.278 174.759 176.094 -0.095 0.000 1.055 155 V CA -0.170 62.078 62.300 -0.087 0.000 1.023 155 V CB 0.211 31.983 31.823 -0.085 0.000 0.992 155 V HN -0.812 7.336 8.190 -0.070 0.000 0.480 156 R N 6.023 126.451 120.500 -0.119 0.000 2.320 156 R HA 0.283 4.665 4.340 -0.087 -0.094 0.319 156 R C -1.923 174.324 176.300 -0.089 0.000 0.969 156 R CA -1.538 54.495 56.100 -0.111 0.000 0.857 156 R CB 1.500 31.712 30.300 -0.146 0.000 1.160 156 R HN 0.289 8.473 8.270 -0.144 0.000 0.491 157 I N 5.912 126.451 120.570 -0.052 0.000 2.750 157 I HA 0.961 5.359 4.170 0.006 -0.224 0.308 157 I C -2.367 173.767 176.117 0.028 0.000 1.016 157 I CA -2.708 58.586 61.300 -0.011 0.000 1.098 157 I CB 4.285 42.263 38.000 -0.037 0.000 1.279 157 I HN 0.107 8.285 8.210 -0.054 0.000 0.454 158 R N 1.963 122.519 120.500 0.093 0.000 2.741 158 R HA 0.348 4.773 4.340 0.141 0.000 0.276 158 R C -2.651 173.803 176.300 0.257 0.000 1.028 158 R CA -1.563 54.626 56.100 0.148 0.000 0.865 158 R CB 2.021 32.391 30.300 0.118 0.000 1.268 158 R HN -0.424 7.917 8.270 0.118 0.000 0.475 159 W N 2.020 123.386 121.300 0.109 0.000 2.311 159 W HA 0.152 5.080 4.660 0.192 -0.152 0.310 159 W C -1.659 174.959 176.519 0.165 0.000 1.274 159 W CA -0.588 56.847 57.345 0.151 0.000 1.215 159 W CB 0.656 30.189 29.460 0.122 0.000 1.227 159 W HN 0.459 8.893 8.180 0.423 0.000 0.523 160 V N 9.291 129.005 119.914 -0.334 0.000 2.378 160 V HA 0.474 4.250 4.120 -0.574 0.000 0.288 160 V C -1.145 174.621 176.094 -0.546 0.000 1.016 160 V CA -1.872 60.160 62.300 -0.447 0.000 0.840 160 V CB 0.293 32.091 31.823 -0.042 0.000 0.994 160 V HN -0.205 7.946 8.190 -0.065 0.000 0.431 161 G N 5.455 113.733 108.800 -0.871 0.000 2.317 161 G HA2 0.120 4.329 3.960 0.007 0.000 0.293 161 G HA3 0.120 4.111 3.960 0.052 0.000 0.293 161 G C -2.602 172.156 174.900 -0.236 0.000 1.287 161 G CA 0.432 45.368 45.100 -0.273 0.000 0.850 161 G HN 0.036 7.917 8.290 -1.125 -0.267 0.515 162 S N -0.857 114.989 115.700 0.245 0.000 2.651 162 S HA 0.334 4.922 4.470 0.196 0.000 0.291 162 S C -0.392 174.550 174.600 0.571 0.000 1.141 162 S CA -1.837 56.545 58.200 0.302 0.000 1.027 162 S CB 1.968 65.288 63.200 0.200 0.000 1.043 162 S HN 0.120 8.522 8.310 0.338 0.111 0.530 163 R N 2.073 122.833 120.500 0.434 0.000 2.128 163 R HA 0.228 4.803 4.340 0.391 0.000 0.211 163 R C -1.608 174.819 176.300 0.211 0.000 1.067 163 R CA 1.461 57.773 56.100 0.353 0.000 1.010 163 R CB -0.870 29.600 30.300 0.282 0.000 0.922 163 R HN 0.404 8.868 8.270 0.324 0.000 0.457 164 P HA -0.090 4.360 4.420 0.050 0.000 0.258 164 P C -1.110 176.222 177.300 0.053 0.000 1.187 164 P CA 1.403 64.552 63.100 0.083 0.000 0.767 164 P CB -0.615 31.121 31.700 0.061 0.000 0.770 165 R N -1.577 118.907 120.500 -0.026 0.000 3.892 165 R HA -0.368 3.887 4.340 -0.142 0.000 0.441 165 R C -1.492 174.868 176.300 0.100 0.000 1.052 165 R CA 0.845 56.849 56.100 -0.160 0.000 1.190 165 R CB -0.644 29.280 30.300 -0.627 0.000 1.808 165 R HN 0.231 8.492 8.270 -0.015 0.000 0.538 166 L N -0.013 121.364 121.223 0.257 0.000 2.290 166 L HA 0.155 4.811 4.340 0.526 0.000 0.284 166 L C -0.273 176.768 176.870 0.285 0.000 1.078 166 L CA -0.646 54.401 54.840 0.345 0.000 0.815 166 L CB 0.666 42.851 42.059 0.211 0.000 1.162 166 L HN -0.763 7.529 8.230 0.195 0.055 0.435 167 W N 7.394 128.700 121.300 0.010 0.000 2.476 167 W HA -0.159 4.484 4.660 -0.028 0.000 0.338 167 W C 1.613 178.063 176.519 -0.115 0.000 1.328 167 W CA -0.055 57.262 57.345 -0.047 0.000 1.300 167 W CB -0.202 29.226 29.460 -0.054 0.000 1.252 167 W HN 0.231 8.807 8.180 0.660 0.000 0.568 168 R N 5.554 126.084 120.500 0.050 0.000 2.139 168 R HA -0.508 3.785 4.340 -0.079 0.000 0.243 168 R C 1.101 177.372 176.300 -0.048 0.000 1.145 168 R CA 3.722 59.797 56.100 -0.041 0.000 0.976 168 R CB -0.168 30.099 30.300 -0.056 0.000 0.866 168 R HN 0.547 8.824 8.270 0.012 0.000 0.449 169 S N -3.964 111.746 115.700 0.016 0.000 2.442 169 S HA -0.205 4.252 4.470 -0.021 0.000 0.236 169 S C 1.801 176.383 174.600 -0.031 0.000 1.007 169 S CA 2.682 60.887 58.200 0.009 0.000 0.965 169 S CB -0.707 62.536 63.200 0.072 0.000 0.773 169 S HN -0.002 8.320 8.310 0.062 0.025 0.504 170 V N 1.779 121.663 119.914 -0.050 0.000 2.488 170 V HA -0.292 3.761 4.120 -0.111 0.000 0.246 170 V C 1.543 177.481 176.094 -0.259 0.000 1.046 170 V CA 3.695 65.910 62.300 -0.141 0.000 1.053 170 V CB -0.052 31.668 31.823 -0.173 0.000 0.679 170 V HN -0.509 7.649 8.190 -0.003 0.030 0.458 171 I N -0.818 119.537 120.570 -0.358 0.000 2.493 171 I HA -0.501 3.243 4.170 -0.709 0.000 0.254 171 I C 1.615 177.602 176.117 -0.217 0.000 1.160 171 I CA 3.331 64.341 61.300 -0.484 0.000 1.445 171 I CB -0.574 37.110 38.000 -0.527 0.000 1.086 171 I HN -0.899 7.044 8.210 -0.303 0.086 0.433 172 N N 0.137 118.752 118.700 -0.141 0.000 2.124 172 N HA -0.200 4.500 4.740 -0.066 0.000 0.188 172 N C 2.139 177.610 175.510 -0.064 0.000 1.045 172 N CA 2.796 55.798 53.050 -0.079 0.000 0.846 172 N CB -0.764 37.687 38.487 -0.061 0.000 1.020 172 N HN -0.528 7.744 8.380 -0.139 0.025 0.432 173 E N 0.056 120.212 120.200 -0.073 0.000 2.187 173 E HA -0.332 3.979 4.350 -0.064 0.000 0.199 173 E C 2.583 179.144 176.600 -0.066 0.000 1.004 173 E CA 2.857 59.214 56.400 -0.072 0.000 0.813 173 E CB -0.389 29.258 29.700 -0.088 0.000 0.736 173 E HN -0.681 7.631 8.360 -0.078 0.000 0.468 174 L N -2.849 118.342 121.223 -0.053 0.000 2.270 174 L HA -0.196 4.127 4.340 -0.028 0.000 0.210 174 L C 1.540 178.432 176.870 0.037 0.000 1.104 174 L CA 2.145 56.984 54.840 -0.002 0.000 0.804 174 L CB -0.311 41.793 42.059 0.075 0.000 0.937 174 L HN -0.615 7.546 8.230 -0.070 0.027 0.450 175 A N -1.022 121.814 122.820 0.026 0.000 2.067 175 A HA -0.162 4.198 4.320 0.067 0.000 0.217 175 A C 1.919 179.509 177.584 0.010 0.000 1.156 175 A CA 2.529 54.590 52.037 0.039 0.000 0.683 175 A CB -0.619 18.404 19.000 0.038 0.000 0.808 175 A HN -0.438 7.619 8.150 0.001 0.093 0.455 176 V N -0.855 119.052 119.914 -0.012 0.000 2.358 176 V HA -0.425 3.684 4.120 -0.018 0.000 0.246 176 V C 1.641 177.718 176.094 -0.028 0.000 1.047 176 V CA 3.364 65.650 62.300 -0.024 0.000 1.035 176 V CB -1.119 30.681 31.823 -0.038 0.000 0.658 176 V HN -0.147 7.942 8.190 -0.020 0.088 0.452 177 A N -1.702 121.097 122.820 -0.035 0.000 2.015 177 A HA -0.165 4.119 4.320 -0.060 0.000 0.219 177 A C 1.754 179.323 177.584 -0.025 0.000 1.163 177 A CA 2.619 54.628 52.037 -0.047 0.000 0.646 177 A CB -0.644 18.314 19.000 -0.071 0.000 0.806 177 A HN -0.344 7.697 8.150 -0.034 0.088 0.448 178 E N -1.476 118.727 120.200 0.004 0.000 2.158 178 E HA -0.155 4.375 4.350 0.012 -0.173 0.191 178 E C 1.565 178.168 176.600 0.005 0.000 0.982 178 E CA 2.175 58.586 56.400 0.018 0.000 0.823 178 E CB 0.191 29.924 29.700 0.055 0.000 0.766 178 E HN -0.163 7.993 8.360 0.013 0.212 0.468 179 E N -1.092 119.108 120.200 0.001 0.000 2.152 179 E HA -0.198 4.153 4.350 0.002 0.000 0.192 179 E C 2.322 178.914 176.600 -0.013 0.000 0.983 179 E CA 2.069 58.467 56.400 -0.003 0.000 0.818 179 E CB -0.278 29.420 29.700 -0.003 0.000 0.758 179 E HN -0.717 7.644 8.360 0.000 0.000 0.467 180 M N -3.375 116.211 119.600 -0.023 0.000 2.288 180 M HA -0.086 4.377 4.480 -0.028 0.000 0.266 180 M C 0.928 177.207 176.300 -0.034 0.000 1.072 180 M CA 3.353 58.634 55.300 -0.031 0.000 1.132 180 M CB 0.706 33.279 32.600 -0.043 0.000 1.386 180 M HN -0.724 7.551 8.290 -0.025 0.000 0.432 181 T N -6.707 107.826 114.554 -0.035 0.000 3.132 181 T HA 0.075 4.398 4.350 -0.045 0.000 0.274 181 T C 0.399 175.076 174.700 -0.038 0.000 1.011 181 T CA -0.437 61.637 62.100 -0.043 0.000 0.899 181 T CB -0.214 68.621 68.868 -0.055 0.000 1.089 181 T HN -0.585 7.606 8.240 -0.030 0.030 0.543 182 K N 0.941 121.327 120.400 -0.025 0.000 2.632 182 K HA -0.071 4.235 4.320 -0.022 0.000 0.196 182 K C -0.763 175.824 176.600 -0.022 0.000 1.023 182 K CA 1.677 57.953 56.287 -0.019 0.000 1.098 182 K CB -0.965 31.532 32.500 -0.004 0.000 0.862 182 K HN -0.576 7.662 8.250 -0.020 0.000 0.504 183 S N -3.234 112.449 115.700 -0.028 0.000 2.744 183 S HA 0.183 4.639 4.470 -0.023 0.000 0.265 183 S C -0.411 174.169 174.600 -0.035 0.000 1.065 183 S CA -0.025 58.160 58.200 -0.026 0.000 1.191 183 S CB 1.175 64.365 63.200 -0.016 0.000 1.150 183 S HN 0.063 8.255 8.310 -0.032 0.099 0.646 184 N N 3.641 122.313 118.700 -0.046 0.000 2.453 184 N HA -0.013 4.701 4.740 -0.044 0.000 0.253 184 N C -1.060 174.403 175.510 -0.079 0.000 1.252 184 N CA 1.103 54.119 53.050 -0.056 0.000 0.917 184 N CB 0.631 39.081 38.487 -0.063 0.000 1.117 184 N HN -0.711 7.640 8.380 -0.048 0.000 0.442 185 D N -5.358 114.995 120.400 -0.078 0.000 2.755 185 D HA -0.012 4.541 4.640 -0.146 0.000 0.293 185 D C -0.013 176.231 176.300 -0.093 0.000 1.642 185 D CA -0.385 53.553 54.000 -0.102 0.000 0.825 185 D CB -0.008 40.748 40.800 -0.074 0.000 1.303 185 D HN 0.113 8.445 8.370 -0.062 0.000 0.434 186 V N 0.568 120.437 119.914 -0.076 0.000 2.295 186 V HA -0.211 3.883 4.120 -0.043 0.000 0.246 186 V C -0.263 175.780 176.094 -0.086 0.000 1.049 186 V CA 3.618 65.883 62.300 -0.058 0.000 1.024 186 V CB 0.614 32.416 31.823 -0.035 0.000 0.648 186 V HN -0.295 7.854 8.190 -0.069 0.000 0.447 187 I N -6.007 114.487 120.570 -0.127 0.000 2.984 187 I HA 0.214 4.359 4.170 -0.224 -0.109 0.303 187 I C -2.772 173.190 176.117 -0.258 0.000 1.381 187 I CA -1.377 59.816 61.300 -0.179 0.000 0.988 187 I CB 3.991 41.939 38.000 -0.086 0.000 1.307 187 I HN -0.520 7.616 8.210 -0.123 0.000 0.460 188 T N 7.602 121.913 114.554 -0.405 0.000 2.807 188 T HA 0.483 4.813 4.350 -0.313 -0.167 0.279 188 T C -1.253 173.336 174.700 -0.185 0.000 0.993 188 T CA -0.447 61.399 62.100 -0.424 0.000 0.970 188 T CB 1.446 69.749 68.868 -0.941 0.000 0.950 188 T HN 0.107 8.061 8.240 -0.477 0.000 0.441 189 I N 6.035 126.567 120.570 -0.065 0.000 2.404 189 I HA 0.547 5.000 4.170 0.095 -0.225 0.293 189 I C -1.194 174.993 176.117 0.117 0.000 0.992 189 I CA -1.589 59.749 61.300 0.063 0.000 1.149 189 I CB 2.497 40.550 38.000 0.089 0.000 1.315 189 I HN 0.173 8.338 8.210 -0.076 0.000 0.446 190 N N 5.930 124.736 118.700 0.177 0.000 2.527 190 N HA 0.289 5.131 4.740 0.171 0.000 0.236 190 N C -1.107 174.527 175.510 0.207 0.000 0.999 190 N CA -1.109 52.050 53.050 0.183 0.000 0.935 190 N CB 0.654 39.245 38.487 0.173 0.000 1.132 190 N HN 0.145 8.642 8.380 0.194 0.000 0.511 191 Y N 7.279 127.642 120.300 0.104 0.000 2.613 191 Y HA 0.038 4.646 4.550 0.097 0.000 0.354 191 Y C -0.819 175.183 175.900 0.169 0.000 1.063 191 Y CA 0.360 58.531 58.100 0.119 0.000 1.384 191 Y CB -0.058 38.469 38.460 0.112 0.000 1.199 191 Y HN -0.160 8.327 8.280 0.344 0.000 0.517 192 C N 8.929 128.202 119.300 -0.044 0.000 2.442 192 C HA 0.445 5.288 4.460 0.143 -0.298 0.362 192 C C -1.441 173.626 174.990 0.128 0.000 1.242 192 C CA 0.223 59.292 59.018 0.085 0.000 1.741 192 C CB -0.757 27.023 27.740 0.066 0.000 2.378 192 C HN 0.284 8.422 8.230 -0.153 0.000 0.549 193 V N 5.119 125.255 119.914 0.370 0.000 2.638 193 V HA 0.182 4.569 4.120 0.260 -0.111 0.306 193 V C -0.791 175.639 176.094 0.559 0.000 1.052 193 V CA -1.545 60.992 62.300 0.395 0.000 0.885 193 V CB 3.137 35.167 31.823 0.345 0.000 0.999 193 V HN -0.247 8.212 8.190 0.447 0.000 0.424 194 N N 3.451 122.440 118.700 0.482 0.000 2.710 194 N HA -0.437 4.695 4.740 0.653 0.000 0.249 194 N C -1.226 174.579 175.510 0.493 0.000 1.059 194 N CA 1.453 54.836 53.050 0.555 0.000 0.720 194 N CB -0.914 37.897 38.487 0.541 0.000 0.983 194 N HN 0.586 9.258 8.380 0.486 0.000 0.544 195 Y N 0.031 120.544 120.300 0.356 0.000 2.336 195 Y HA 0.032 4.730 4.550 0.248 0.000 0.335 195 Y C -1.705 174.414 175.900 0.364 0.000 1.046 195 Y CA 0.486 58.785 58.100 0.331 0.000 1.198 195 Y CB 1.510 40.199 38.460 0.382 0.000 1.182 195 Y HN -0.615 7.998 8.280 0.585 0.017 0.502 196 G N 5.245 113.912 108.800 -0.222 0.000 2.617 196 G HA2 0.275 4.240 3.960 0.008 0.000 0.306 196 G HA3 0.275 4.331 3.960 0.159 0.000 0.306 196 G C -1.540 173.115 174.900 -0.409 0.000 1.360 196 G CA -1.531 43.511 45.100 -0.098 0.000 0.983 196 G HN -0.030 8.019 8.290 -0.400 0.000 0.496 197 G N 2.508 111.252 108.800 -0.093 0.000 2.453 197 G HA2 -0.282 3.798 3.960 0.138 0.000 0.215 197 G HA3 -0.282 3.628 3.960 -0.083 0.000 0.215 197 G C 0.931 175.819 174.900 -0.020 0.000 1.201 197 G CA 1.530 46.622 45.100 -0.013 0.000 0.784 197 G HN 0.033 8.510 8.290 0.106 -0.123 0.545 198 R N 0.340 120.854 120.500 0.024 0.000 2.120 198 R HA -0.250 4.118 4.340 0.047 0.000 0.234 198 R C 2.437 178.733 176.300 -0.007 0.000 1.123 198 R CA 3.325 59.442 56.100 0.029 0.000 0.975 198 R CB -0.311 30.016 30.300 0.046 0.000 0.866 198 R HN -0.758 7.710 8.270 0.047 -0.170 0.446 199 T N -0.212 114.321 114.554 -0.034 0.000 2.904 199 T HA -0.279 4.066 4.350 -0.008 0.000 0.267 199 T C 1.594 176.249 174.700 -0.074 0.000 1.059 199 T CA 4.310 66.390 62.100 -0.034 0.000 1.137 199 T CB -0.678 68.183 68.868 -0.011 0.000 0.879 199 T HN -0.171 8.020 8.240 -0.043 0.024 0.467 200 E N 2.116 122.229 120.200 -0.145 0.000 2.158 200 E HA -0.154 4.419 4.350 -0.135 -0.305 0.191 200 E C 2.190 178.725 176.600 -0.108 0.000 0.982 200 E CA 2.699 59.008 56.400 -0.153 0.000 0.823 200 E CB -0.162 29.394 29.700 -0.239 0.000 0.766 200 E HN -0.665 7.466 8.360 -0.184 0.119 0.468 201 I N -1.554 118.968 120.570 -0.082 0.000 2.617 201 I HA -0.323 3.751 4.170 -0.160 0.000 0.256 201 I C 1.462 177.535 176.117 -0.074 0.000 1.167 201 I CA 3.427 64.672 61.300 -0.091 0.000 1.469 201 I CB -0.083 37.912 38.000 -0.008 0.000 1.098 201 I HN -0.532 7.642 8.210 -0.061 0.000 0.436 202 T N 1.814 116.342 114.554 -0.044 0.000 2.777 202 T HA -0.309 4.024 4.350 -0.028 0.000 0.266 202 T C 2.223 176.900 174.700 -0.038 0.000 1.040 202 T CA 5.020 67.101 62.100 -0.031 0.000 1.141 202 T CB -0.263 68.598 68.868 -0.011 0.000 0.868 202 T HN -0.231 7.902 8.240 -0.038 0.084 0.444 203 E N 0.946 121.121 120.200 -0.042 0.000 2.204 203 E HA -0.278 4.060 4.350 -0.019 0.000 0.195 203 E C 1.531 178.105 176.600 -0.043 0.000 0.990 203 E CA 2.876 59.257 56.400 -0.033 0.000 0.821 203 E CB -0.307 29.374 29.700 -0.031 0.000 0.750 203 E HN -0.412 7.833 8.360 -0.049 0.086 0.477 204 A N -2.178 120.601 122.820 -0.069 0.000 2.030 204 A HA 0.165 4.541 4.320 -0.038 -0.078 0.215 204 A C 1.555 179.074 177.584 -0.109 0.000 1.164 204 A CA 2.051 54.044 52.037 -0.074 0.000 0.697 204 A CB -0.280 18.654 19.000 -0.111 0.000 0.827 204 A HN -0.613 7.457 8.150 -0.084 0.030 0.457 205 T N 0.726 115.219 114.554 -0.102 0.000 2.881 205 T HA -0.339 3.939 4.350 -0.119 0.000 0.270 205 T C 1.771 176.414 174.700 -0.095 0.000 1.068 205 T CA 5.111 67.152 62.100 -0.099 0.000 1.131 205 T CB -0.225 68.604 68.868 -0.064 0.000 0.871 205 T HN -0.500 7.686 8.240 -0.090 0.000 0.479 206 R N -0.951 119.503 120.500 -0.076 0.000 2.265 206 R HA 0.206 4.555 4.340 -0.067 -0.050 0.194 206 R C 1.885 178.141 176.300 -0.074 0.000 0.931 206 R CA 1.518 57.580 56.100 -0.064 0.000 1.032 206 R CB -0.649 29.629 30.300 -0.036 0.000 0.980 206 R HN -0.669 7.539 8.270 -0.066 0.022 0.497 207 E N 1.310 121.462 120.200 -0.080 0.000 2.171 207 E HA -0.281 4.048 4.350 -0.035 0.000 0.197 207 E C 1.709 178.181 176.600 -0.213 0.000 0.997 207 E CA 3.145 59.496 56.400 -0.080 0.000 0.810 207 E CB -0.467 29.225 29.700 -0.014 0.000 0.738 207 E HN -0.635 7.602 8.360 -0.070 0.081 0.467 208 I N -1.634 118.763 120.570 -0.289 0.000 2.385 208 I HA -0.321 3.536 4.170 -0.522 0.000 0.244 208 I C 1.187 177.193 176.117 -0.184 0.000 1.089 208 I CA 3.350 64.433 61.300 -0.361 0.000 1.410 208 I CB 0.157 37.960 38.000 -0.327 0.000 1.117 208 I HN -0.422 7.589 8.210 -0.228 0.062 0.429 209 A N -0.819 121.927 122.820 -0.123 0.000 2.024 209 A HA -0.319 3.959 4.320 -0.070 0.000 0.220 209 A C 2.060 179.608 177.584 -0.061 0.000 1.164 209 A CA 3.154 55.146 52.037 -0.075 0.000 0.643 209 A CB -0.901 18.067 19.000 -0.054 0.000 0.806 209 A HN -0.101 7.868 8.150 -0.119 0.109 0.451 210 R N -2.197 118.264 120.500 -0.065 0.000 2.066 210 R HA -0.327 3.994 4.340 -0.031 0.000 0.232 210 R C 2.600 178.877 176.300 -0.038 0.000 1.131 210 R CA 3.562 59.637 56.100 -0.042 0.000 0.955 210 R CB -0.184 30.097 30.300 -0.032 0.000 0.851 210 R HN -0.327 7.873 8.270 -0.078 0.024 0.432 211 E N -0.590 119.576 120.200 -0.057 0.000 2.077 211 E HA -0.258 4.081 4.350 -0.018 0.000 0.193 211 E C 2.585 179.165 176.600 -0.033 0.000 0.989 211 E CA 2.633 59.010 56.400 -0.038 0.000 0.800 211 E CB -0.542 29.130 29.700 -0.047 0.000 0.746 211 E HN -0.765 7.544 8.360 -0.085 0.000 0.452 212 V N -0.003 119.882 119.914 -0.048 0.000 2.469 212 V HA -0.338 3.766 4.120 -0.027 0.000 0.251 212 V C 2.643 178.723 176.094 -0.022 0.000 1.064 212 V CA 4.039 66.319 62.300 -0.034 0.000 1.066 212 V CB -0.452 31.347 31.823 -0.040 0.000 0.667 212 V HN -0.060 8.090 8.190 -0.068 0.000 0.461 213 A N 0.525 123.331 122.820 -0.023 0.000 1.968 213 A HA -0.145 4.167 4.320 -0.014 0.000 0.217 213 A C 0.621 178.198 177.584 -0.010 0.000 1.169 213 A CA 2.681 54.709 52.037 -0.015 0.000 0.638 213 A CB -0.629 18.362 19.000 -0.016 0.000 0.812 213 A HN -0.466 7.553 8.150 -0.029 0.114 0.446 214 A N -3.701 119.113 122.820 -0.010 0.000 2.291 214 A HA 0.095 4.414 4.320 -0.003 0.000 0.220 214 A C 0.133 177.715 177.584 -0.003 0.000 1.262 214 A CA -0.781 51.254 52.037 -0.004 0.000 0.867 214 A CB -0.579 18.420 19.000 -0.001 0.000 0.888 214 A HN -0.543 7.503 8.150 -0.013 0.096 0.487 215 G N -1.474 107.323 108.800 -0.005 0.000 2.352 215 G HA2 -0.370 3.589 3.960 -0.002 0.000 0.295 215 G HA3 -0.370 3.669 3.960 -0.005 -0.082 0.295 215 G C 0.602 175.502 174.900 0.000 0.000 0.991 215 G CA 1.243 46.342 45.100 -0.003 0.000 0.796 215 G HN -0.545 7.535 8.290 -0.008 0.205 0.511 216 R N -2.394 118.106 120.500 0.001 0.000 2.391 216 R HA -0.014 4.332 4.340 0.009 0.000 0.249 216 R C -1.247 175.059 176.300 0.011 0.000 0.957 216 R CA -0.330 55.775 56.100 0.008 0.000 1.093 216 R CB 0.452 30.760 30.300 0.013 0.000 1.156 216 R HN -0.191 8.031 8.270 -0.003 0.046 0.526 217 L N -2.407 118.817 121.223 0.002 0.000 2.611 217 L HA 0.143 4.491 4.340 0.013 0.000 0.260 217 L C -2.399 174.470 176.870 -0.003 0.000 0.924 217 L CA -0.324 54.518 54.840 0.003 0.000 0.901 217 L CB 3.377 45.431 42.059 -0.008 0.000 1.369 217 L HN -0.728 7.422 8.230 -0.002 0.078 0.415 218 N N 5.357 124.059 118.700 0.004 0.000 2.444 218 N HA 0.334 5.074 4.740 0.000 0.000 0.271 218 N C -0.530 174.980 175.510 0.000 0.000 1.069 218 N CA -2.696 50.356 53.050 0.003 0.000 0.965 218 N CB 0.698 39.190 38.487 0.008 0.000 1.092 218 N HN 0.184 8.570 8.380 0.010 0.000 0.476 219 P HA 0.053 4.467 4.420 -0.010 0.000 0.242 219 P C -0.485 176.816 177.300 0.003 0.000 1.197 219 P CA 0.966 64.063 63.100 -0.005 0.000 0.765 219 P CB 0.149 31.845 31.700 -0.007 0.000 0.936 220 E N -3.896 116.308 120.200 0.007 0.000 2.526 220 E HA 0.176 4.534 4.350 0.012 0.000 0.208 220 E C 0.132 176.742 176.600 0.016 0.000 0.997 220 E CA 0.048 56.455 56.400 0.011 0.000 0.961 220 E CB 0.218 29.924 29.700 0.010 0.000 1.030 220 E HN -0.505 7.961 8.360 0.007 -0.102 0.483 221 R N -0.922 119.588 120.500 0.017 0.000 2.586 221 R HA 0.171 4.524 4.340 0.023 0.000 0.336 221 R C -1.586 174.731 176.300 0.029 0.000 1.060 221 R CA -0.487 55.627 56.100 0.022 0.000 1.079 221 R CB 0.502 30.814 30.300 0.020 0.000 1.317 221 R HN -0.730 7.548 8.270 0.014 0.000 0.568 222 I N 0.061 120.648 120.570 0.028 0.000 2.416 222 I HA -0.176 4.018 4.170 0.039 0.000 0.288 222 I C -0.346 175.802 176.117 0.053 0.000 1.051 222 I CA 0.518 61.839 61.300 0.035 0.000 1.375 222 I CB 0.508 38.520 38.000 0.021 0.000 1.407 222 I HN -0.446 7.710 8.210 0.023 0.068 0.516 223 T N 8.346 122.942 114.554 0.070 0.000 2.888 223 T HA 0.271 4.674 4.350 0.088 0.000 0.288 223 T C -0.253 174.531 174.700 0.140 0.000 1.063 223 T CA -1.673 60.482 62.100 0.091 0.000 1.010 223 T CB 3.095 72.009 68.868 0.076 0.000 1.214 223 T HN -0.722 7.561 8.240 0.071 0.000 0.533 224 E N 1.578 121.896 120.200 0.197 0.000 2.209 224 E HA -0.251 4.389 4.350 0.482 0.000 0.196 224 E C 2.125 178.921 176.600 0.327 0.000 0.993 224 E CA 3.279 59.901 56.400 0.371 0.000 0.819 224 E CB -0.219 29.686 29.700 0.343 0.000 0.745 224 E HN 0.465 8.925 8.360 0.167 0.000 0.477 225 S N -0.372 115.438 115.700 0.183 0.000 2.371 225 S HA -0.169 4.385 4.470 0.139 0.000 0.224 225 S C 1.592 176.234 174.600 0.070 0.000 1.029 225 S CA 2.951 61.222 58.200 0.118 0.000 0.978 225 S CB -0.374 62.869 63.200 0.071 0.000 0.833 225 S HN -0.077 8.298 8.310 0.150 0.024 0.466 226 T N 4.756 119.361 114.554 0.086 0.000 2.665 226 T HA -0.322 4.099 4.350 0.119 0.000 0.268 226 T C 1.792 176.589 174.700 0.161 0.000 1.035 226 T CA 4.324 66.497 62.100 0.122 0.000 1.151 226 T CB -0.465 68.470 68.868 0.112 0.000 0.862 226 T HN -0.191 8.022 8.240 0.093 0.083 0.438 227 I N 0.353 120.934 120.570 0.017 0.000 2.226 227 I HA -0.408 3.693 4.170 -0.114 0.000 0.245 227 I C 1.866 177.796 176.117 -0.312 0.000 1.100 227 I CA 3.749 64.935 61.300 -0.190 0.000 1.374 227 I CB -0.296 37.412 38.000 -0.486 0.000 1.057 227 I HN -0.616 7.612 8.210 0.029 0.000 0.413 228 A N -0.523 122.151 122.820 -0.242 0.000 2.121 228 A HA -0.249 3.821 4.320 -0.417 0.000 0.218 228 A C 1.193 178.687 177.584 -0.151 0.000 1.154 228 A CA 2.642 54.556 52.037 -0.205 0.000 0.679 228 A CB -0.729 18.331 19.000 0.101 0.000 0.795 228 A HN -0.289 7.722 8.150 -0.091 0.085 0.458 229 R N -5.913 114.495 120.500 -0.154 0.000 2.300 229 R HA -0.116 4.104 4.340 -0.200 0.000 0.199 229 R C 0.694 176.736 176.300 -0.430 0.000 0.920 229 R CA 0.705 56.646 56.100 -0.266 0.000 1.046 229 R CB 0.342 30.455 30.300 -0.311 0.000 0.984 229 R HN -0.409 7.638 8.270 -0.112 0.156 0.493 230 H N -3.196 115.799 119.070 -0.125 0.000 2.785 230 H HA 0.107 4.614 4.556 -0.081 0.000 0.268 230 H C -1.306 173.941 175.328 -0.136 0.000 1.153 230 H CA -0.372 55.609 56.048 -0.112 0.000 1.111 230 H CB 0.999 30.696 29.762 -0.109 0.000 1.633 230 H HN -0.480 7.571 8.280 -0.099 0.170 0.576 231 L N -2.332 118.833 121.223 -0.096 0.000 2.464 231 L HA -0.132 4.140 4.340 -0.114 0.000 0.264 231 L C 0.766 177.597 176.870 -0.065 0.000 1.199 231 L CA -0.029 54.745 54.840 -0.111 0.000 0.818 231 L CB 0.421 42.391 42.059 -0.150 0.000 1.102 231 L HN -0.769 7.379 8.230 -0.137 0.000 0.473 232 Q N 1.122 120.885 119.800 -0.062 0.000 1.978 232 Q HA -0.334 3.980 4.340 -0.043 0.000 0.211 232 Q C 0.417 176.393 176.000 -0.040 0.000 1.013 232 Q CA 2.537 58.305 55.803 -0.058 0.000 0.869 232 Q CB 0.269 28.942 28.738 -0.110 0.000 0.953 232 Q HN 0.350 8.577 8.270 -0.071 0.000 0.415 233 R N -2.131 118.350 120.500 -0.031 0.000 2.215 233 R HA 0.377 4.719 4.340 0.003 0.000 0.337 233 R C -1.396 174.893 176.300 -0.018 0.000 1.010 233 R CA -3.013 53.085 56.100 -0.003 0.000 0.871 233 R CB -1.012 29.305 30.300 0.028 0.000 1.134 233 R HN 0.175 8.427 8.270 -0.030 0.000 0.477 234 P HA 0.305 4.679 4.420 -0.076 0.000 0.251 234 P C -0.688 176.574 177.300 -0.063 0.000 1.223 234 P CA 0.170 63.233 63.100 -0.062 0.000 0.796 234 P CB 0.582 32.233 31.700 -0.082 0.000 1.068 235 D N -3.507 116.873 120.400 -0.032 0.000 2.349 235 D HA -0.024 4.566 4.640 -0.082 0.000 0.214 235 D C -0.494 175.641 176.300 -0.276 0.000 1.063 235 D CA -1.156 52.812 54.000 -0.052 0.000 0.847 235 D CB -0.706 40.157 40.800 0.106 0.000 0.933 235 D HN 0.281 8.612 8.370 0.007 0.044 0.513 236 I N 3.076 123.490 120.570 -0.261 0.000 2.494 236 I HA 0.007 3.651 4.170 -0.876 0.000 0.289 236 I C -1.838 173.934 176.117 -0.576 0.000 1.106 236 I CA -1.097 59.896 61.300 -0.511 0.000 1.369 236 I CB -0.803 37.081 38.000 -0.194 0.000 1.410 236 I HN -0.829 7.253 8.210 -0.130 0.051 0.523 237 P HA 0.018 4.195 4.420 -0.405 0.000 0.286 237 P C -1.393 175.723 177.300 -0.306 0.000 1.293 237 P CA -0.970 61.782 63.100 -0.581 0.000 0.770 237 P CB 0.606 31.863 31.700 -0.739 0.000 1.206 238 D N -2.306 118.012 120.400 -0.138 0.000 2.362 238 D HA -0.111 4.671 4.640 0.027 -0.125 0.242 238 D C 0.236 176.600 176.300 0.107 0.000 1.132 238 D CA 0.236 54.235 54.000 -0.002 0.000 0.907 238 D CB 0.382 41.179 40.800 -0.004 0.000 1.195 238 D HN -0.087 8.192 8.370 -0.151 0.000 0.429 239 V N 2.348 122.314 119.914 0.086 0.000 2.408 239 V HA -0.201 3.870 4.120 -0.082 0.000 0.267 239 V C -0.142 175.884 176.094 -0.113 0.000 1.047 239 V CA 0.641 62.892 62.300 -0.082 0.000 0.937 239 V CB 0.034 31.692 31.823 -0.274 0.000 0.999 239 V HN -0.206 7.904 8.190 0.041 0.105 0.472 240 D N 7.344 127.654 120.400 -0.150 0.000 2.137 240 D HA -0.052 4.559 4.640 -0.048 0.000 0.202 240 D C -0.983 175.168 176.300 -0.250 0.000 0.970 240 D CA 3.077 56.983 54.000 -0.156 0.000 0.837 240 D CB 1.494 42.164 40.800 -0.218 0.000 0.981 240 D HN -0.026 8.248 8.370 -0.160 0.000 0.475 241 L N -3.000 118.011 121.223 -0.354 0.000 2.410 241 L HA 0.451 4.812 4.340 -0.222 -0.155 0.270 241 L C -2.870 173.852 176.870 -0.247 0.000 0.983 241 L CA -0.528 54.128 54.840 -0.307 0.000 0.822 241 L CB 3.542 45.350 42.059 -0.419 0.000 1.285 241 L HN -0.823 7.186 8.230 -0.368 0.000 0.409 242 F N 7.484 127.229 119.950 -0.341 0.000 2.310 242 F HA 0.456 4.985 4.527 -0.237 -0.143 0.365 242 F C -1.504 174.227 175.800 -0.115 0.000 1.080 242 F CA -2.179 55.655 58.000 -0.276 0.000 1.187 242 F CB 1.563 40.261 39.000 -0.503 0.000 1.465 242 F HN 0.275 8.511 8.300 -0.107 0.000 0.496 243 L N 5.791 126.992 121.223 -0.037 0.000 2.410 243 L HA 0.293 4.870 4.340 0.080 -0.189 0.273 243 L C -0.969 175.988 176.870 0.145 0.000 1.152 243 L CA -0.192 54.683 54.840 0.058 0.000 0.855 243 L CB 0.154 42.242 42.059 0.048 0.000 1.129 243 L HN -0.019 8.118 8.230 -0.155 0.000 0.463 244 R N 4.020 124.677 120.500 0.261 0.000 2.515 244 R HA 0.535 5.150 4.340 0.229 -0.139 0.291 244 R C -1.418 175.047 176.300 0.276 0.000 1.046 244 R CA -1.438 54.868 56.100 0.343 0.000 0.914 244 R CB 3.445 34.135 30.300 0.650 0.000 1.191 244 R HN -0.078 8.339 8.270 0.244 0.000 0.435 245 T N 7.665 122.302 114.554 0.138 0.000 2.928 245 T HA 0.539 5.089 4.350 0.139 -0.117 0.284 245 T C 0.342 175.118 174.700 0.126 0.000 1.008 245 T CA -0.458 61.710 62.100 0.113 0.000 1.057 245 T CB 1.571 70.474 68.868 0.057 0.000 1.018 245 T HN -0.228 8.061 8.240 0.082 0.000 0.493 246 S N 2.700 118.484 115.700 0.140 0.000 3.244 246 S HA -0.399 4.152 4.470 0.136 0.000 0.279 246 S C 0.389 175.047 174.600 0.097 0.000 1.293 246 S CA 0.859 59.133 58.200 0.123 0.000 0.990 246 S CB -0.779 62.485 63.200 0.107 0.000 1.202 246 S HN 0.429 8.832 8.310 0.155 0.000 0.666 247 G N -2.822 106.045 108.800 0.111 0.000 2.234 247 G HA2 -0.423 3.570 3.960 0.055 0.000 0.235 247 G HA3 -0.423 3.831 3.960 0.095 -0.237 0.235 247 G C 0.008 174.906 174.900 -0.003 0.000 0.997 247 G CA 0.047 45.190 45.100 0.071 0.000 0.623 247 G HN -0.129 8.210 8.290 0.147 0.039 0.514 248 E N 1.282 121.479 120.200 -0.004 0.000 2.392 248 E HA -0.064 4.218 4.350 -0.113 0.000 0.264 248 E C -0.873 175.572 176.600 -0.257 0.000 1.024 248 E CA -0.262 56.086 56.400 -0.086 0.000 0.903 248 E CB 0.503 30.189 29.700 -0.024 0.000 0.963 248 E HN -0.059 8.253 8.360 0.037 0.070 0.432 249 Q N 3.671 123.190 119.800 -0.469 0.000 2.788 249 Q HA 0.170 3.455 4.340 -1.759 0.000 0.261 249 Q C -1.443 174.216 176.000 -0.568 0.000 1.029 249 Q CA -0.518 54.654 55.803 -1.052 0.000 0.848 249 Q CB 0.299 28.364 28.738 -1.122 0.000 1.185 249 Q HN 0.465 8.527 8.270 -0.347 0.000 0.482 250 R N 0.036 120.375 120.500 -0.269 0.000 2.664 250 R HA 0.264 4.468 4.340 -0.225 0.000 0.266 250 R C -0.939 175.367 176.300 0.010 0.000 1.046 250 R CA -1.287 54.728 56.100 -0.142 0.000 0.885 250 R CB 1.775 32.019 30.300 -0.093 0.000 1.254 250 R HN -0.368 7.823 8.270 -0.132 0.000 0.465 251 S N -0.107 115.550 115.700 -0.071 0.000 2.425 251 S HA -0.162 4.355 4.470 0.078 0.000 0.225 251 S C 0.261 175.018 174.600 0.262 0.000 1.024 251 S CA 1.343 59.560 58.200 0.029 0.000 0.951 251 S CB 0.066 63.173 63.200 -0.155 0.000 0.796 251 S HN 0.377 8.600 8.310 -0.144 0.000 0.498 252 S N 1.261 117.060 115.700 0.165 0.000 3.711 252 S HA -0.239 4.319 4.470 0.146 0.000 0.374 252 S C -0.860 173.921 174.600 0.302 0.000 0.969 252 S CA 1.105 59.431 58.200 0.211 0.000 1.198 252 S CB -1.756 61.587 63.200 0.237 0.000 0.903 252 S HN 0.139 8.501 8.310 0.086 0.000 0.493 253 N N -5.191 113.655 118.700 0.243 0.000 2.800 253 N HA -0.409 4.462 4.740 0.217 0.000 0.250 253 N C -1.852 173.891 175.510 0.388 0.000 1.078 253 N CA 1.606 54.821 53.050 0.276 0.000 0.804 253 N CB -0.253 38.402 38.487 0.281 0.000 1.135 253 N HN 0.225 8.717 8.380 0.185 0.000 0.565 254 F N 0.891 120.893 119.950 0.085 0.000 2.410 254 F HA 0.099 4.432 4.527 -0.323 0.000 0.349 254 F C -0.383 175.483 175.800 0.110 0.000 1.117 254 F CA -0.708 57.191 58.000 -0.168 0.000 1.104 254 F CB 0.976 39.708 39.000 -0.448 0.000 1.122 254 F HN -0.988 7.519 8.300 0.399 0.033 0.483 255 M N 3.151 122.637 119.600 -0.190 0.000 3.051 255 M HA -0.414 4.299 4.480 0.103 -0.171 0.169 255 M C -0.159 176.204 176.300 0.106 0.000 1.287 255 M CA 0.262 55.491 55.300 -0.120 0.000 0.779 255 M CB -3.150 29.137 32.600 -0.522 0.000 1.235 255 M HN 0.457 8.612 8.290 -0.225 0.000 0.707 256 L N 1.724 123.082 121.223 0.225 0.000 1.988 256 L HA -0.236 4.183 4.340 0.132 0.000 0.207 256 L C 0.216 177.183 176.870 0.162 0.000 1.071 256 L CA 3.207 58.153 54.840 0.176 0.000 0.744 256 L CB -0.018 42.153 42.059 0.186 0.000 0.893 256 L HN -0.063 8.351 8.230 0.306 0.000 0.433 257 W N -3.217 118.105 121.300 0.037 0.000 2.354 257 W HA -0.453 4.213 4.660 0.009 0.000 0.315 257 W C 2.183 178.711 176.519 0.015 0.000 1.206 257 W CA 2.708 60.064 57.345 0.020 0.000 1.290 257 W CB 0.046 29.520 29.460 0.025 0.000 1.152 257 W HN -0.158 8.268 8.180 0.409 0.000 0.489 258 Q N -2.525 117.427 119.800 0.253 0.000 2.124 258 Q HA -0.274 4.169 4.340 0.171 0.000 0.202 258 Q C 1.623 177.641 176.000 0.030 0.000 0.977 258 Q CA 2.901 58.787 55.803 0.138 0.000 0.850 258 Q CB -0.391 28.415 28.738 0.113 0.000 0.901 258 Q HN 0.300 8.745 8.270 0.292 0.000 0.429 259 A N -3.537 119.287 122.820 0.006 0.000 2.415 259 A HA 0.276 4.580 4.320 -0.025 0.000 0.248 259 A C -0.129 177.413 177.584 -0.070 0.000 1.299 259 A CA -1.589 50.440 52.037 -0.013 0.000 0.899 259 A CB -1.092 17.968 19.000 0.100 0.000 0.997 259 A HN -0.423 7.744 8.150 0.028 0.000 0.506 260 A N 1.785 124.526 122.820 -0.131 0.000 1.863 260 A HA -0.301 3.856 4.320 -0.272 0.000 0.218 260 A C 1.493 178.885 177.584 -0.320 0.000 1.233 260 A CA 2.758 54.610 52.037 -0.309 0.000 0.655 260 A CB -0.259 18.413 19.000 -0.546 0.000 0.839 260 A HN -0.745 7.262 8.150 -0.128 0.066 0.454 261 Y N -1.872 118.367 120.300 -0.103 0.000 2.740 261 Y HA -0.047 4.468 4.550 -0.057 0.000 0.356 261 Y C -1.169 174.678 175.900 -0.088 0.000 1.101 261 Y CA -1.309 56.744 58.100 -0.078 0.000 1.477 261 Y CB -1.965 36.449 38.460 -0.078 0.000 1.296 261 Y HN -0.174 8.164 8.280 0.097 0.000 0.507 262 A N -0.520 122.260 122.820 -0.067 0.000 2.340 262 A HA 0.071 4.431 4.320 -0.096 -0.098 0.268 262 A C -0.955 176.463 177.584 -0.276 0.000 1.100 262 A CA -0.960 50.959 52.037 -0.197 0.000 0.803 262 A CB 1.620 20.420 19.000 -0.334 0.000 1.043 262 A HN -0.725 7.267 8.150 -0.115 0.088 0.488 263 E N 2.664 122.762 120.200 -0.171 0.000 2.227 263 E HA 0.162 4.491 4.350 -0.036 0.000 0.282 263 E C -1.248 175.205 176.600 -0.245 0.000 1.015 263 E CA -1.012 55.337 56.400 -0.086 0.000 0.823 263 E CB 2.193 31.963 29.700 0.117 0.000 1.081 263 E HN -0.253 8.051 8.360 -0.093 0.000 0.396 264 Y N 2.496 122.747 120.300 -0.082 0.000 2.361 264 Y HA 0.130 4.557 4.550 -0.205 0.000 0.332 264 Y C 0.306 175.942 175.900 -0.439 0.000 1.101 264 Y CA -0.580 57.339 58.100 -0.302 0.000 1.137 264 Y CB 2.035 40.239 38.460 -0.428 0.000 1.207 264 Y HN 0.267 8.605 8.280 0.096 0.000 0.463 265 I N 1.820 122.151 120.570 -0.398 0.000 2.534 265 I HA 0.180 4.193 4.170 -0.263 0.000 0.286 265 I C -2.282 173.651 176.117 -0.306 0.000 1.094 265 I CA -0.557 60.569 61.300 -0.289 0.000 1.055 265 I CB 3.339 41.316 38.000 -0.038 0.000 1.225 265 I HN 0.055 8.064 8.210 -0.335 0.000 0.435 266 F N 5.682 125.737 119.950 0.175 0.000 2.332 266 F HA 0.588 5.390 4.527 0.168 -0.175 0.368 266 F C 0.106 175.986 175.800 0.133 0.000 1.110 266 F CA -2.062 56.028 58.000 0.150 0.000 1.087 266 F CB 0.384 39.452 39.000 0.113 0.000 1.235 266 F HN 0.102 8.400 8.300 -0.003 0.000 0.470 267 Q N 4.298 124.269 119.800 0.284 0.000 2.259 267 Q HA 0.040 4.511 4.340 0.218 0.000 0.249 267 Q C 0.367 176.495 176.000 0.214 0.000 0.914 267 Q CA -0.077 55.868 55.803 0.237 0.000 0.904 267 Q CB 1.678 30.576 28.738 0.265 0.000 1.213 267 Q HN -0.243 8.191 8.270 0.273 0.000 0.428 268 D N 1.096 121.604 120.400 0.180 0.000 2.328 268 D HA -0.013 4.825 4.640 0.140 -0.114 0.221 268 D C -1.221 175.167 176.300 0.147 0.000 1.072 268 D CA 0.464 54.551 54.000 0.145 0.000 0.850 268 D CB 0.082 40.952 40.800 0.116 0.000 0.922 268 D HN 0.202 8.676 8.370 0.172 0.000 0.516 269 K N -0.402 120.107 120.400 0.181 0.000 2.234 269 K HA 0.024 4.448 4.320 0.173 0.000 0.277 269 K C -0.738 175.986 176.600 0.206 0.000 1.038 269 K CA -0.568 55.837 56.287 0.197 0.000 0.888 269 K CB 0.281 32.924 32.500 0.240 0.000 1.091 269 K HN -0.429 7.864 8.250 0.202 0.078 0.467 270 L N 5.782 127.130 121.223 0.207 0.000 2.514 270 L HA -0.302 4.161 4.340 0.204 0.000 0.280 270 L C 1.522 178.509 176.870 0.195 0.000 1.223 270 L CA 0.164 55.138 54.840 0.223 0.000 0.864 270 L CB -0.091 42.159 42.059 0.319 0.000 1.118 270 L HN 0.577 8.933 8.230 0.209 0.000 0.494 271 W N 4.161 125.439 121.300 -0.038 0.000 2.342 271 W HA -0.125 4.448 4.660 -0.145 0.000 0.297 271 W C -0.817 175.646 176.519 -0.092 0.000 1.213 271 W CA 4.363 61.650 57.345 -0.098 0.000 1.251 271 W CB -1.760 27.631 29.460 -0.115 0.000 1.136 271 W HN 0.089 8.459 8.180 0.317 0.000 0.526 272 P HA -0.048 4.011 4.420 -0.601 0.000 0.233 272 P C -0.899 176.061 177.300 -0.567 0.000 1.167 272 P CA 1.283 63.968 63.100 -0.693 0.000 0.770 272 P CB -0.378 30.485 31.700 -1.396 0.000 0.837 273 D N -2.844 117.404 120.400 -0.252 0.000 2.328 273 D HA 0.093 4.726 4.640 -0.011 0.000 0.221 273 D C -1.518 174.765 176.300 -0.028 0.000 1.072 273 D CA 0.326 54.317 54.000 -0.016 0.000 0.850 273 D CB 0.432 41.342 40.800 0.183 0.000 0.922 273 D HN -0.262 7.867 8.370 -0.162 0.143 0.516 274 Y N -0.322 119.789 120.300 -0.315 0.000 2.403 274 Y HA 0.015 4.556 4.550 -0.230 -0.129 0.323 274 Y C -1.574 174.092 175.900 -0.389 0.000 1.226 274 Y CA 0.682 58.566 58.100 -0.359 0.000 1.235 274 Y CB 2.679 40.795 38.460 -0.573 0.000 1.248 274 Y HN -0.757 7.232 8.280 -0.194 0.174 0.489 275 D N -1.527 118.406 120.400 -0.779 0.000 2.665 275 D HA 0.338 4.807 4.640 -0.462 -0.107 0.287 275 D C 0.601 176.400 176.300 -0.836 0.000 1.266 275 D CA -1.423 52.198 54.000 -0.631 0.000 0.830 275 D CB 2.750 43.259 40.800 -0.485 0.000 1.356 275 D HN -0.223 7.612 8.370 -1.248 -0.213 0.437 276 R N -1.462 118.583 120.500 -0.758 0.000 2.120 276 R HA -0.394 3.531 4.340 -0.692 0.000 0.234 276 R C 2.057 177.622 176.300 -1.224 0.000 1.123 276 R CA 3.253 58.812 56.100 -0.901 0.000 0.975 276 R CB -0.326 29.441 30.300 -0.888 0.000 0.866 276 R HN -0.099 7.972 8.270 -0.689 -0.215 0.446 277 R N -1.532 118.333 120.500 -1.060 0.000 2.159 277 R HA -0.305 3.656 4.340 -0.630 0.000 0.237 277 R C 2.273 178.338 176.300 -0.393 0.000 1.131 277 R CA 3.013 58.724 56.100 -0.649 0.000 0.982 277 R CB -0.608 29.451 30.300 -0.401 0.000 0.868 277 R HN -0.380 7.395 8.270 -1.037 -0.127 0.453 278 D N 0.041 120.107 120.400 -0.557 0.000 2.123 278 D HA -0.184 4.308 4.640 -0.246 0.000 0.200 278 D C 1.909 178.081 176.300 -0.214 0.000 0.976 278 D CA 3.393 57.125 54.000 -0.447 0.000 0.831 278 D CB -0.313 39.900 40.800 -0.979 0.000 0.974 278 D HN -0.383 7.558 8.370 -0.735 -0.013 0.469 279 L N 0.566 121.617 121.223 -0.286 0.000 2.046 279 L HA -0.234 4.204 4.340 0.164 0.000 0.208 279 L C 1.604 178.566 176.870 0.154 0.000 1.077 279 L CA 2.672 57.518 54.840 0.010 0.000 0.747 279 L CB -0.089 41.950 42.059 -0.033 0.000 0.896 279 L HN -0.891 6.942 8.230 -0.519 0.086 0.432 280 W N -2.806 118.472 121.300 -0.038 0.000 2.402 280 W HA -0.239 4.415 4.660 -0.010 0.000 0.286 280 W C 1.887 178.399 176.519 -0.011 0.000 1.221 280 W CA 1.308 58.637 57.345 -0.026 0.000 1.257 280 W CB -1.741 27.691 29.460 -0.047 0.000 1.120 280 W HN -0.252 7.853 8.180 -0.124 0.000 0.551 281 A N 0.242 123.177 122.820 0.192 0.000 1.858 281 A HA -0.292 4.102 4.320 0.122 0.000 0.216 281 A C 1.629 179.288 177.584 0.126 0.000 1.190 281 A CA 2.849 54.961 52.037 0.124 0.000 0.617 281 A CB -1.126 17.918 19.000 0.072 0.000 0.827 281 A HN -0.419 7.718 8.150 0.130 0.091 0.443 282 A N -0.722 122.179 122.820 0.135 0.000 1.865 282 A HA -0.298 4.098 4.320 0.125 0.000 0.217 282 A C 1.758 179.428 177.584 0.143 0.000 1.191 282 A CA 2.849 54.967 52.037 0.135 0.000 0.623 282 A CB -0.696 18.390 19.000 0.143 0.000 0.826 282 A HN -0.507 7.725 8.150 0.136 0.000 0.444 283 C N -2.087 117.302 119.300 0.149 0.000 2.401 283 C HA -0.507 4.026 4.460 0.121 0.000 0.276 283 C C 2.029 177.114 174.990 0.159 0.000 1.233 283 C CA 5.423 64.526 59.018 0.142 0.000 1.753 283 C CB -0.666 27.157 27.740 0.138 0.000 2.029 283 C HN -0.337 7.992 8.230 0.165 0.000 0.478 284 E N -0.303 119.969 120.200 0.120 0.000 2.038 284 E HA -0.454 3.929 4.350 0.054 0.000 0.195 284 E C 2.058 178.709 176.600 0.086 0.000 1.000 284 E CA 3.361 59.807 56.400 0.077 0.000 0.803 284 E CB -0.362 29.370 29.700 0.053 0.000 0.750 284 E HN -0.427 8.010 8.360 0.128 0.000 0.448 285 E N -0.476 119.783 120.200 0.098 0.000 2.108 285 E HA -0.434 3.953 4.350 0.061 0.000 0.203 285 E C 2.191 178.850 176.600 0.099 0.000 1.022 285 E CA 3.083 59.536 56.400 0.089 0.000 0.823 285 E CB -0.112 29.648 29.700 0.099 0.000 0.744 285 E HN -0.623 7.798 8.360 0.102 0.000 0.456 286 Y N -0.904 119.406 120.300 0.017 0.000 2.114 286 Y HA -0.370 4.183 4.550 0.004 0.000 0.284 286 Y C 2.121 178.023 175.900 0.002 0.000 1.143 286 Y CA 3.081 61.186 58.100 0.007 0.000 1.135 286 Y CB 0.116 38.580 38.460 0.006 0.000 0.980 286 Y HN -0.546 7.897 8.280 0.271 -0.000 0.499 287 A N -0.787 122.108 122.820 0.126 0.000 1.877 287 A HA -0.314 4.124 4.320 -0.027 -0.134 0.216 287 A C 1.564 179.111 177.584 -0.061 0.000 1.186 287 A CA 2.473 54.523 52.037 0.022 0.000 0.620 287 A CB -0.382 18.669 19.000 0.085 0.000 0.822 287 A HN -0.095 8.202 8.150 0.245 0.000 0.443 288 S N -3.684 111.998 115.700 -0.030 0.000 2.469 288 S HA -0.268 4.180 4.470 -0.035 0.000 0.238 288 S C 0.043 174.612 174.600 -0.052 0.000 0.998 288 S CA 2.018 60.197 58.200 -0.035 0.000 0.957 288 S CB -0.064 63.127 63.200 -0.015 0.000 0.764 288 S HN -0.200 8.109 8.310 -0.002 0.000 0.514 289 R N 2.395 122.842 120.500 -0.087 0.000 2.490 289 R HA 0.047 4.353 4.340 -0.056 0.000 0.278 289 R C -0.872 175.366 176.300 -0.103 0.000 1.069 289 R CA -0.021 56.025 56.100 -0.090 0.000 1.080 289 R CB 1.143 31.378 30.300 -0.109 0.000 1.030 289 R HN -1.004 7.138 8.270 -0.114 0.059 0.491 290 T N 5.381 119.896 114.554 -0.065 0.000 2.751 290 T HA -0.079 4.239 4.350 -0.053 0.000 0.290 290 T C 0.207 174.868 174.700 -0.065 0.000 0.919 290 T CA 1.011 63.080 62.100 -0.052 0.000 1.136 290 T CB -0.260 68.594 68.868 -0.023 0.000 0.875 290 T HN 0.134 8.345 8.240 -0.048 0.000 0.532 291 R N 7.040 127.491 120.500 -0.081 0.000 2.473 291 R HA -0.203 4.070 4.340 -0.112 0.000 0.315 291 R C 0.380 176.662 176.300 -0.030 0.000 0.972 291 R CA -0.074 55.976 56.100 -0.084 0.000 1.047 291 R CB -0.925 29.322 30.300 -0.089 0.000 0.932 291 R HN 0.207 8.428 8.270 -0.082 0.000 0.411 292 R N 2.653 123.146 120.500 -0.012 0.000 2.783 292 R HA -0.080 4.295 4.340 0.059 0.000 0.276 292 R C 0.854 177.202 176.300 0.080 0.000 1.223 292 R CA -0.271 55.857 56.100 0.047 0.000 1.173 292 R CB 1.012 31.346 30.300 0.056 0.000 1.157 292 R HN 0.159 8.413 8.270 -0.025 0.000 0.600 293 F N -0.648 119.291 119.950 -0.018 0.000 2.553 293 F HA -0.208 4.306 4.527 -0.021 0.000 0.356 293 F C 0.913 176.702 175.800 -0.019 0.000 1.142 293 F CA 1.381 59.371 58.000 -0.017 0.000 1.322 293 F CB 0.429 39.422 39.000 -0.012 0.000 1.126 293 F HN -0.203 8.262 8.300 0.276 0.000 0.599 294 G N 5.470 113.798 108.800 -0.787 0.000 2.238 294 G HA2 -0.387 3.329 3.960 -0.406 0.000 0.270 294 G HA3 -0.387 3.190 3.960 -0.639 0.000 0.270 294 G C -1.383 173.358 174.900 -0.265 0.000 0.977 294 G CA 0.202 44.984 45.100 -0.529 0.000 0.639 294 G HN 0.468 7.984 8.290 -1.290 0.000 0.544 295 S N 1.861 117.457 115.700 -0.173 0.000 2.465 295 S HA 0.009 4.427 4.470 -0.087 0.000 0.279 295 S C -0.478 174.059 174.600 -0.105 0.000 1.201 295 S CA -0.755 57.385 58.200 -0.100 0.000 1.053 295 S CB 0.712 63.882 63.200 -0.050 0.000 0.953 295 S HN -0.577 7.539 8.310 -0.163 0.097 0.488 296 A N 0.000 122.766 122.820 -0.090 0.000 2.254 296 A HA 0.000 4.274 4.320 -0.076 0.000 0.244 296 A CA 0.000 51.999 52.037 -0.062 0.000 0.836 296 A CB 0.000 18.957 19.000 -0.071 0.000 0.831 296 A HN 0.000 8.095 8.150 -0.091 0.000 0.486