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 1by1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKGFDTTAIN KSYYNVVLQN ILETENEYSK ELQTVLSTYL RPLQTSEKLS DATA SEQUENCE SANISYLMGN LEEICSFQQM LVQSLEECTK LPEAQQRVGG CFLNLMPQMK DATA SEQUENCE TLYLTYCANH PSAVNVLTEH SEELGEFMET KGASSPGILV LTTGLSKPFM DATA SEQUENCE RLDKYPTLLK ELERHMEDYH TDRQDIQKSM AAFKNLSAQC QEVRKRKELE DATA SEQUENCE LQILTEAIR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.585 4.480 0.175 0.000 0.227 1 M C 0.000 176.440 176.300 0.233 0.000 1.140 1 M CA 0.000 55.408 55.300 0.180 0.000 0.988 1 M CB 0.000 32.698 32.600 0.164 0.000 1.302 2 K N 0.618 121.091 120.400 0.121 0.000 2.228 2 K HA -0.258 4.112 4.320 0.083 0.000 0.205 2 K C 0.064 176.694 176.600 0.051 0.000 1.045 2 K CA 1.421 57.756 56.287 0.080 0.000 0.931 2 K CB -0.683 31.842 32.500 0.041 0.000 0.727 2 K HN 0.237 8.540 8.250 0.088 0.000 0.458 3 G N -2.587 106.247 108.800 0.057 0.000 3.948 3 G HA2 0.242 4.117 3.960 -0.143 0.000 0.300 3 G HA3 0.242 4.179 3.960 -0.039 0.000 0.300 3 G C -1.192 173.701 174.900 -0.012 0.000 1.318 3 G CA -0.460 44.615 45.100 -0.041 0.000 0.768 3 G HN -0.510 7.805 8.290 0.099 0.034 0.504 4 F N -0.884 119.080 119.950 0.023 0.000 2.731 4 F HA 0.153 4.692 4.527 0.020 0.000 0.304 4 F C -1.765 174.049 175.800 0.024 0.000 1.133 4 F CA -0.451 57.566 58.000 0.028 0.000 1.380 4 F CB 0.270 39.300 39.000 0.049 0.000 1.079 4 F HN -0.704 7.533 8.300 -0.105 0.000 0.550 5 D N -2.907 117.274 120.400 -0.364 0.000 1.779 5 D HA -0.089 4.484 4.640 -0.113 0.000 0.814 5 D C -0.494 175.652 176.300 -0.257 0.000 0.417 5 D CA 0.884 54.723 54.000 -0.268 0.000 1.336 5 D CB 0.890 41.520 40.800 -0.282 0.000 1.059 5 D HN -0.104 7.931 8.370 -0.391 0.100 0.370 6 T N -1.827 112.514 114.554 -0.356 0.000 6.157 6 T HA -0.349 3.866 4.350 -0.224 0.000 0.281 6 T C -1.013 173.585 174.700 -0.170 0.000 2.039 6 T CA 1.415 63.384 62.100 -0.219 0.000 3.312 6 T CB -1.240 67.551 68.868 -0.129 0.000 1.589 6 T HN -0.081 7.822 8.240 -0.561 0.000 1.129 7 T N 1.283 115.719 114.554 -0.197 0.000 2.901 7 T HA -0.130 4.172 4.350 -0.080 0.000 0.301 7 T C 0.205 174.858 174.700 -0.078 0.000 1.012 7 T CA -0.166 61.869 62.100 -0.109 0.000 1.135 7 T CB 0.547 69.366 68.868 -0.082 0.000 0.936 7 T HN -0.499 7.503 8.240 -0.292 0.063 0.539 8 A N 7.937 130.732 122.820 -0.042 0.000 2.500 8 A HA -0.000 4.304 4.320 -0.027 0.000 0.285 8 A C 0.452 178.038 177.584 0.004 0.000 1.183 8 A CA -0.077 51.948 52.037 -0.020 0.000 0.851 8 A CB -0.490 18.503 19.000 -0.011 0.000 1.091 8 A HN 0.090 8.217 8.150 -0.038 0.000 0.521 9 I N -0.661 119.918 120.570 0.015 0.000 2.892 9 I HA -0.116 4.095 4.170 0.070 0.000 0.287 9 I C -0.353 175.792 176.117 0.046 0.000 1.205 9 I CA 0.213 61.544 61.300 0.051 0.000 1.409 9 I CB 0.752 38.794 38.000 0.070 0.000 1.367 9 I HN -0.237 7.972 8.210 -0.001 0.000 0.597 10 N N 7.354 126.091 118.700 0.062 0.000 5.698 10 N HA -0.112 4.660 4.740 0.052 0.000 0.140 10 N C -1.883 173.668 175.510 0.068 0.000 1.032 10 N CA 0.780 53.863 53.050 0.054 0.000 1.114 10 N CB 0.854 39.364 38.487 0.038 0.000 1.506 10 N HN 0.183 8.612 8.380 0.081 0.000 1.091 11 K N 1.161 121.608 120.400 0.078 0.000 3.446 11 K HA -0.219 4.163 4.320 0.103 0.000 0.312 11 K C -1.380 175.300 176.600 0.134 0.000 1.329 11 K CA 0.666 57.011 56.287 0.096 0.000 0.935 11 K CB -0.474 32.069 32.500 0.071 0.000 1.281 11 K HN 0.384 8.678 8.250 0.072 0.000 0.457 12 S N 0.355 116.140 115.700 0.142 0.000 2.411 12 S HA 0.027 4.610 4.470 0.187 0.000 0.304 12 S C -0.166 174.570 174.600 0.226 0.000 1.098 12 S CA -0.424 57.889 58.200 0.188 0.000 1.068 12 S CB -0.084 63.233 63.200 0.195 0.000 1.032 12 S HN -0.272 8.048 8.310 0.119 0.061 0.511 13 Y N 7.012 127.376 120.300 0.106 0.000 2.274 13 Y HA -0.409 4.176 4.550 0.059 0.000 0.290 13 Y C 0.856 176.817 175.900 0.103 0.000 1.145 13 Y CA 3.700 61.852 58.100 0.086 0.000 1.203 13 Y CB 0.142 38.649 38.460 0.078 0.000 0.984 13 Y HN 0.204 8.693 8.280 0.348 0.000 0.533 14 Y N -1.108 119.262 120.300 0.116 0.000 1.993 14 Y HA -0.562 4.008 4.550 0.035 0.000 0.267 14 Y C 1.444 177.323 175.900 -0.034 0.000 1.155 14 Y CA 3.555 61.675 58.100 0.034 0.000 1.105 14 Y CB -0.349 38.138 38.460 0.045 0.000 0.960 14 Y HN -0.082 8.416 8.280 0.394 0.019 0.486 15 N N -3.738 114.885 118.700 -0.129 0.000 2.430 15 N HA -0.288 4.122 4.740 -0.549 0.000 0.186 15 N C 1.079 176.459 175.510 -0.217 0.000 1.032 15 N CA 2.961 55.868 53.050 -0.238 0.000 0.893 15 N CB -0.311 38.224 38.487 0.080 0.000 0.957 15 N HN 0.391 8.936 8.380 0.276 0.000 0.442 16 V N -1.524 118.266 119.914 -0.206 0.000 2.599 16 V HA -0.215 3.798 4.120 -0.179 0.000 0.245 16 V C 1.593 177.483 176.094 -0.341 0.000 1.046 16 V CA 2.953 65.099 62.300 -0.256 0.000 1.065 16 V CB 0.359 32.002 31.823 -0.300 0.000 0.703 16 V HN -0.556 7.355 8.190 -0.155 0.185 0.464 17 V N 1.529 121.202 119.914 -0.401 0.000 2.302 17 V HA -0.322 3.599 4.120 -0.332 0.000 0.243 17 V C 1.976 177.930 176.094 -0.232 0.000 1.036 17 V CA 3.448 65.556 62.300 -0.320 0.000 1.020 17 V CB -0.961 30.725 31.823 -0.228 0.000 0.657 17 V HN 0.296 8.157 8.190 -0.390 0.095 0.453 18 L N -1.977 119.069 121.223 -0.294 0.000 2.187 18 L HA -0.278 3.954 4.340 -0.180 0.000 0.213 18 L C 2.604 179.348 176.870 -0.210 0.000 1.100 18 L CA 2.809 57.487 54.840 -0.269 0.000 0.765 18 L CB -0.620 41.171 42.059 -0.445 0.000 0.904 18 L HN -0.360 7.639 8.230 -0.386 0.000 0.437 19 Q N -1.896 117.776 119.800 -0.214 0.000 2.008 19 Q HA -0.366 3.892 4.340 -0.137 0.000 0.196 19 Q C 2.134 178.062 176.000 -0.121 0.000 0.973 19 Q CA 3.196 58.908 55.803 -0.152 0.000 0.826 19 Q CB -0.277 28.379 28.738 -0.136 0.000 0.894 19 Q HN -0.475 7.614 8.270 -0.257 0.027 0.439 20 N N 0.211 118.831 118.700 -0.134 0.000 2.060 20 N HA -0.320 4.365 4.740 -0.092 0.000 0.195 20 N C 2.426 177.880 175.510 -0.093 0.000 1.028 20 N CA 3.356 56.340 53.050 -0.110 0.000 0.861 20 N CB -0.056 38.355 38.487 -0.126 0.000 1.029 20 N HN -0.411 7.869 8.380 -0.167 0.000 0.428 21 I N -1.926 118.586 120.570 -0.097 0.000 2.315 21 I HA -0.407 3.713 4.170 -0.084 0.000 0.251 21 I C 1.657 177.735 176.117 -0.065 0.000 1.125 21 I CA 2.546 63.800 61.300 -0.077 0.000 1.392 21 I CB -1.380 36.590 38.000 -0.051 0.000 1.065 21 I HN -0.168 7.971 8.210 -0.115 0.002 0.424 22 L N -0.679 120.503 121.223 -0.069 0.000 1.956 22 L HA -0.571 3.740 4.340 -0.049 0.000 0.216 22 L C 2.087 178.926 176.870 -0.052 0.000 1.073 22 L CA 3.557 58.362 54.840 -0.058 0.000 0.762 22 L CB -1.104 40.915 42.059 -0.066 0.000 0.889 22 L HN -0.128 7.896 8.230 -0.085 0.155 0.433 23 E N -2.153 118.014 120.200 -0.054 0.000 2.164 23 E HA -0.430 3.895 4.350 -0.041 0.000 0.206 23 E C 2.737 179.311 176.600 -0.044 0.000 1.032 23 E CA 3.289 59.661 56.400 -0.047 0.000 0.832 23 E CB -0.569 29.102 29.700 -0.048 0.000 0.742 23 E HN -0.468 7.856 8.360 -0.061 0.000 0.460 24 T N 1.009 115.529 114.554 -0.056 0.000 2.684 24 T HA -0.209 4.107 4.350 -0.057 0.000 0.253 24 T C 1.991 176.671 174.700 -0.034 0.000 1.057 24 T CA 3.779 65.841 62.100 -0.064 0.000 1.162 24 T CB -0.560 68.245 68.868 -0.105 0.000 0.868 24 T HN -0.721 7.474 8.240 -0.064 0.007 0.409 25 E N 1.486 121.669 120.200 -0.028 0.000 2.209 25 E HA -0.516 3.929 4.350 0.158 0.000 0.196 25 E C 2.342 178.953 176.600 0.019 0.000 0.993 25 E CA 3.274 59.708 56.400 0.055 0.000 0.819 25 E CB -0.591 29.139 29.700 0.050 0.000 0.745 25 E HN -0.004 8.323 8.360 -0.054 0.000 0.477 26 N N 0.354 119.041 118.700 -0.023 0.000 2.013 26 N HA -0.328 4.370 4.740 -0.069 0.000 0.195 26 N C 2.061 177.546 175.510 -0.041 0.000 1.051 26 N CA 3.897 56.919 53.050 -0.047 0.000 0.851 26 N CB 0.201 38.662 38.487 -0.043 0.000 1.044 26 N HN 0.653 8.873 8.380 -0.026 0.144 0.422 27 E N -0.292 119.899 120.200 -0.015 0.000 2.267 27 E HA -0.379 3.963 4.350 -0.015 0.000 0.197 27 E C 2.435 179.057 176.600 0.037 0.000 0.998 27 E CA 2.775 59.174 56.400 -0.001 0.000 0.830 27 E CB -0.310 29.389 29.700 -0.001 0.000 0.751 27 E HN -0.605 7.744 8.360 -0.017 0.000 0.491 28 Y N 1.344 121.580 120.300 -0.106 0.000 2.153 28 Y HA -0.363 4.111 4.550 -0.127 0.000 0.289 28 Y C 1.341 177.166 175.900 -0.125 0.000 1.127 28 Y CA 1.550 59.569 58.100 -0.136 0.000 1.131 28 Y CB -0.037 38.308 38.460 -0.192 0.000 0.995 28 Y HN -0.422 7.753 8.280 0.098 0.164 0.505 29 S N 0.171 115.622 115.700 -0.414 0.000 2.428 29 S HA -0.134 4.097 4.470 -0.704 -0.184 0.230 29 S C 2.538 177.000 174.600 -0.229 0.000 1.014 29 S CA 3.233 61.153 58.200 -0.467 0.000 0.957 29 S CB -0.020 62.969 63.200 -0.352 0.000 0.784 29 S HN 0.443 8.426 8.310 -0.243 0.182 0.499 30 K N 1.554 121.875 120.400 -0.132 0.000 2.057 30 K HA -0.243 4.028 4.320 -0.081 0.000 0.206 30 K C 2.370 178.935 176.600 -0.058 0.000 1.050 30 K CA 3.429 59.670 56.287 -0.078 0.000 0.935 30 K CB -0.467 32.005 32.500 -0.046 0.000 0.715 30 K HN 0.648 8.608 8.250 -0.115 0.221 0.439 31 E N -0.656 119.522 120.200 -0.037 0.000 2.077 31 E HA -0.241 4.110 4.350 0.002 0.000 0.193 31 E C 2.310 178.891 176.600 -0.031 0.000 0.989 31 E CA 3.285 59.681 56.400 -0.006 0.000 0.800 31 E CB -0.029 29.695 29.700 0.041 0.000 0.746 31 E HN -0.616 7.726 8.360 -0.030 0.000 0.452 32 L N -1.748 119.429 121.223 -0.076 0.000 2.056 32 L HA -0.386 3.911 4.340 -0.072 0.000 0.207 32 L C 2.199 179.003 176.870 -0.109 0.000 1.078 32 L CA 3.318 58.097 54.840 -0.101 0.000 0.749 32 L CB -0.443 41.517 42.059 -0.165 0.000 0.901 32 L HN -0.742 7.425 8.230 -0.105 0.000 0.433 33 Q N -1.560 118.172 119.800 -0.113 0.000 2.135 33 Q HA -0.411 3.873 4.340 -0.095 0.000 0.204 33 Q C 2.350 178.307 176.000 -0.071 0.000 0.981 33 Q CA 3.689 59.437 55.803 -0.092 0.000 0.856 33 Q CB -0.022 28.664 28.738 -0.087 0.000 0.902 33 Q HN 0.172 8.363 8.270 -0.132 0.000 0.425 34 T N 1.599 116.118 114.554 -0.057 0.000 2.590 34 T HA -0.339 3.994 4.350 -0.028 0.000 0.257 34 T C 1.972 176.641 174.700 -0.052 0.000 1.080 34 T CA 4.830 66.909 62.100 -0.035 0.000 1.180 34 T CB -0.336 68.525 68.868 -0.011 0.000 0.865 34 T HN -0.517 7.676 8.240 -0.058 0.012 0.403 35 V N 1.371 121.244 119.914 -0.067 0.000 2.380 35 V HA -0.469 3.597 4.120 -0.091 0.000 0.251 35 V C 1.730 177.624 176.094 -0.334 0.000 1.063 35 V CA 3.857 66.047 62.300 -0.184 0.000 1.055 35 V CB -0.838 30.886 31.823 -0.166 0.000 0.657 35 V HN -0.635 7.531 8.190 -0.041 0.000 0.455 36 L N -1.091 120.005 121.223 -0.212 0.000 1.933 36 L HA -0.544 3.666 4.340 -0.217 0.000 0.220 36 L C 1.901 178.693 176.870 -0.130 0.000 1.078 36 L CA 3.951 58.685 54.840 -0.177 0.000 0.773 36 L CB -0.471 41.519 42.059 -0.116 0.000 0.890 36 L HN 0.344 8.369 8.230 -0.156 0.111 0.434 37 S N -4.028 111.624 115.700 -0.080 0.000 2.481 37 S HA -0.224 4.227 4.470 -0.032 0.000 0.231 37 S C 1.784 176.374 174.600 -0.017 0.000 0.996 37 S CA 2.521 60.697 58.200 -0.040 0.000 0.942 37 S CB -0.184 62.998 63.200 -0.029 0.000 0.768 37 S HN -0.389 7.873 8.310 -0.079 0.000 0.520 38 T N 4.436 118.973 114.554 -0.028 0.000 2.706 38 T HA -0.126 4.250 4.350 0.043 0.000 0.255 38 T C 0.528 175.293 174.700 0.109 0.000 1.048 38 T CA 3.499 65.622 62.100 0.038 0.000 1.153 38 T CB 0.590 69.498 68.868 0.067 0.000 0.865 38 T HN 0.225 8.180 8.240 -0.072 0.241 0.414 39 Y N -3.670 116.650 120.300 0.032 0.000 2.590 39 Y HA 0.400 4.982 4.550 0.054 0.000 0.263 39 Y C -0.320 175.684 175.900 0.173 0.000 1.069 39 Y CA -1.118 57.011 58.100 0.048 0.000 1.242 39 Y CB 0.582 39.009 38.460 -0.056 0.000 1.357 39 Y HN -0.169 7.893 8.280 -0.185 0.107 0.556 40 L N 2.462 123.499 121.223 -0.310 0.000 2.270 40 L HA -0.154 4.209 4.340 0.038 0.000 0.210 40 L C 1.360 178.235 176.870 0.008 0.000 1.104 40 L CA 1.843 56.588 54.840 -0.159 0.000 0.804 40 L CB 0.379 42.246 42.059 -0.320 0.000 0.937 40 L HN 0.298 8.270 8.230 -0.429 0.000 0.450 41 R N -0.133 120.368 120.500 0.002 0.000 2.159 41 R HA -0.320 4.012 4.340 -0.013 0.000 0.252 41 R C -0.814 175.506 176.300 0.033 0.000 1.144 41 R CA 4.717 60.825 56.100 0.014 0.000 0.961 41 R CB -2.663 27.651 30.300 0.023 0.000 0.877 41 R HN 0.263 8.517 8.270 -0.028 0.000 0.444 42 P HA -0.144 4.291 4.420 0.025 0.000 0.212 42 P C 1.238 178.491 177.300 -0.079 0.000 1.180 42 P CA 2.278 65.407 63.100 0.048 0.000 0.906 42 P CB -0.276 31.530 31.700 0.176 0.000 0.782 43 L N -2.619 118.510 121.223 -0.157 0.000 2.265 43 L HA -0.291 3.813 4.340 -0.393 0.000 0.215 43 L C 1.932 178.732 176.870 -0.116 0.000 1.117 43 L CA 2.152 56.818 54.840 -0.289 0.000 0.782 43 L CB -0.351 41.499 42.059 -0.348 0.000 0.914 43 L HN -0.255 7.990 8.230 0.026 0.000 0.441 44 Q N -1.963 117.804 119.800 -0.055 0.000 2.268 44 Q HA -0.329 3.985 4.340 -0.042 0.000 0.210 44 Q C 1.129 177.102 176.000 -0.046 0.000 0.988 44 Q CA 2.813 58.590 55.803 -0.043 0.000 0.883 44 Q CB -0.103 28.615 28.738 -0.034 0.000 0.911 44 Q HN 0.488 8.513 8.270 -0.027 0.229 0.430 45 T N -2.221 112.301 114.554 -0.054 0.000 3.194 45 T HA -0.001 4.328 4.350 -0.035 0.000 0.251 45 T C -0.400 174.269 174.700 -0.051 0.000 1.132 45 T CA 0.787 62.859 62.100 -0.047 0.000 1.028 45 T CB -0.110 68.732 68.868 -0.044 0.000 0.976 45 T HN -0.588 7.580 8.240 -0.064 0.034 0.535 46 S N -1.205 114.457 115.700 -0.063 0.000 3.586 46 S HA -0.395 4.042 4.470 -0.055 0.000 0.309 46 S C -0.701 173.857 174.600 -0.071 0.000 1.195 46 S CA 1.671 59.837 58.200 -0.055 0.000 0.895 46 S CB -1.133 62.049 63.200 -0.030 0.000 0.983 46 S HN 0.477 8.540 8.310 -0.070 0.206 0.563 47 E N -0.885 119.246 120.200 -0.115 0.000 2.037 47 E HA -0.418 3.877 4.350 -0.091 0.000 0.214 47 E C 1.258 177.794 176.600 -0.105 0.000 1.041 47 E CA 3.313 59.637 56.400 -0.128 0.000 0.872 47 E CB 0.159 29.731 29.700 -0.214 0.000 0.785 47 E HN -0.547 7.706 8.360 -0.134 0.027 0.476 48 K N -3.933 116.385 120.400 -0.137 0.000 2.323 48 K HA 0.018 4.305 4.320 -0.054 0.000 0.197 48 K C 0.331 176.925 176.600 -0.011 0.000 1.043 48 K CA 0.829 57.072 56.287 -0.073 0.000 0.997 48 K CB 0.305 32.755 32.500 -0.084 0.000 0.807 48 K HN 0.146 8.265 8.250 -0.219 0.000 0.497 49 L N -1.146 120.069 121.223 -0.013 0.000 3.036 49 L HA 0.315 4.703 4.340 0.080 0.000 0.237 49 L C -0.335 176.546 176.870 0.019 0.000 1.319 49 L CA -0.956 53.907 54.840 0.038 0.000 1.112 49 L CB -1.156 40.930 42.059 0.046 0.000 1.480 49 L HN -0.188 8.005 8.230 -0.062 0.000 0.506 50 S N 0.570 116.273 115.700 0.006 0.000 2.436 50 S HA -0.275 4.212 4.470 -0.007 -0.021 0.215 50 S C 0.149 174.760 174.600 0.019 0.000 1.047 50 S CA 1.787 59.988 58.200 0.002 0.000 1.086 50 S CB -0.041 63.156 63.200 -0.004 0.000 1.072 50 S HN -0.568 7.654 8.310 -0.001 0.087 0.411 51 S N -0.129 115.586 115.700 0.026 0.000 2.654 51 S HA 0.081 4.570 4.470 0.031 0.000 0.283 51 S C 0.194 174.825 174.600 0.051 0.000 1.180 51 S CA -0.286 57.934 58.200 0.033 0.000 1.021 51 S CB 0.696 63.911 63.200 0.026 0.000 1.018 51 S HN -0.168 8.155 8.310 0.022 0.000 0.532 52 A N 3.891 126.744 122.820 0.055 0.000 1.282 52 A HA -0.440 3.919 4.320 0.064 0.000 0.226 52 A C 1.022 178.669 177.584 0.105 0.000 0.465 52 A CA 2.343 54.422 52.037 0.071 0.000 1.095 52 A CB -1.962 17.077 19.000 0.065 0.000 1.470 52 A HN 0.646 8.825 8.150 0.047 0.000 0.723 53 N N -0.147 118.627 118.700 0.125 0.000 2.334 53 N HA -0.326 4.573 4.740 0.265 0.000 0.187 53 N C 1.632 177.239 175.510 0.161 0.000 1.016 53 N CA 2.743 55.912 53.050 0.198 0.000 0.879 53 N CB -0.181 38.423 38.487 0.196 0.000 0.965 53 N HN 0.305 8.681 8.380 0.104 0.066 0.438 54 I N -0.812 119.814 120.570 0.094 0.000 2.068 54 I HA -0.411 3.818 4.170 0.031 -0.041 0.238 54 I C 2.844 179.012 176.117 0.085 0.000 1.046 54 I CA 3.285 64.621 61.300 0.061 0.000 1.306 54 I CB -0.920 37.108 38.000 0.047 0.000 1.023 54 I HN -0.236 7.974 8.210 0.084 0.050 0.399 55 S N -2.564 113.202 115.700 0.111 0.000 2.428 55 S HA -0.368 4.169 4.470 0.113 0.000 0.240 55 S C 0.280 174.998 174.600 0.198 0.000 1.036 55 S CA 2.997 61.277 58.200 0.133 0.000 1.009 55 S CB -0.347 62.924 63.200 0.120 0.000 0.803 55 S HN -0.197 8.172 8.310 0.100 0.000 0.486 56 Y N -0.282 120.068 120.300 0.083 0.000 2.362 56 Y HA -0.161 4.447 4.550 0.097 0.000 0.258 56 Y C 0.025 176.002 175.900 0.128 0.000 1.048 56 Y CA 1.723 59.880 58.100 0.094 0.000 1.070 56 Y CB 0.330 38.829 38.460 0.066 0.000 1.028 56 Y HN -0.645 7.630 8.280 0.269 0.167 0.475 57 L N -3.076 117.651 121.223 -0.826 0.000 2.194 57 L HA -0.079 3.925 4.340 -0.559 0.000 0.197 57 L C 2.172 178.891 176.870 -0.252 0.000 1.106 57 L CA 1.800 56.193 54.840 -0.745 0.000 0.785 57 L CB 1.077 42.518 42.059 -1.030 0.000 0.960 57 L HN -0.678 7.048 8.230 -0.839 0.000 0.465 58 M N -2.676 116.820 119.600 -0.172 0.000 2.163 58 M HA -0.418 4.021 4.480 -0.068 0.000 0.258 58 M C 2.853 179.133 176.300 -0.033 0.000 1.071 58 M CA 2.644 57.902 55.300 -0.071 0.000 1.093 58 M CB -1.834 30.744 32.600 -0.038 0.000 1.285 58 M HN 0.079 8.248 8.290 -0.202 0.000 0.420 59 G N -1.890 106.908 108.800 -0.004 0.000 2.606 59 G HA2 -0.351 3.627 3.960 0.029 0.000 0.223 59 G HA3 -0.351 3.678 3.960 0.051 -0.038 0.223 59 G C 0.305 175.227 174.900 0.038 0.000 1.106 59 G CA 2.313 47.431 45.100 0.030 0.000 0.745 59 G HN 0.195 8.374 8.290 -0.002 0.110 0.597 60 N N 0.725 119.435 118.700 0.017 0.000 2.255 60 N HA -0.179 4.597 4.740 0.061 0.000 0.192 60 N C 1.092 176.591 175.510 -0.017 0.000 1.049 60 N CA 3.174 56.229 53.050 0.008 0.000 0.886 60 N CB 0.307 38.753 38.487 -0.068 0.000 1.064 60 N HN -0.705 7.536 8.380 -0.009 0.134 0.457 61 L N 0.422 121.606 121.223 -0.066 0.000 2.012 61 L HA -0.306 4.003 4.340 -0.051 0.000 0.210 61 L C 1.101 177.956 176.870 -0.026 0.000 1.073 61 L CA 3.022 57.831 54.840 -0.052 0.000 0.748 61 L CB -0.393 41.631 42.059 -0.058 0.000 0.891 61 L HN -0.314 7.858 8.230 -0.097 0.000 0.431 62 E N -1.754 118.430 120.200 -0.026 0.000 2.171 62 E HA -0.339 3.995 4.350 -0.026 0.000 0.197 62 E C 2.636 179.239 176.600 0.004 0.000 0.997 62 E CA 2.696 59.086 56.400 -0.017 0.000 0.810 62 E CB -0.909 28.780 29.700 -0.019 0.000 0.738 62 E HN 0.415 8.645 8.360 -0.037 0.108 0.467 63 E N -0.317 119.899 120.200 0.026 0.000 2.086 63 E HA -0.149 4.223 4.350 0.037 0.000 0.190 63 E C 2.259 178.926 176.600 0.112 0.000 0.975 63 E CA 1.939 58.372 56.400 0.056 0.000 0.813 63 E CB 0.132 29.871 29.700 0.066 0.000 0.768 63 E HN -0.718 7.531 8.360 0.023 0.125 0.457 64 I N 0.907 121.548 120.570 0.119 0.000 2.502 64 I HA -0.504 3.872 4.170 0.343 0.000 0.258 64 I C 1.727 177.896 176.117 0.086 0.000 1.172 64 I CA 3.990 65.381 61.300 0.151 0.000 1.430 64 I CB -0.639 37.379 38.000 0.030 0.000 1.086 64 I HN -0.071 8.110 8.210 0.074 0.073 0.440 65 C N -1.062 118.257 119.300 0.032 0.000 2.359 65 C HA -0.610 3.822 4.460 -0.046 0.000 0.279 65 C C 1.890 176.890 174.990 0.017 0.000 1.191 65 C CA 5.827 64.841 59.018 -0.008 0.000 1.764 65 C CB -0.954 26.776 27.740 -0.018 0.000 2.026 65 C HN -0.192 8.012 8.230 0.027 0.042 0.442 66 S N -0.868 114.858 115.700 0.043 0.000 2.382 66 S HA -0.323 4.158 4.470 0.019 0.000 0.228 66 S C 1.868 176.543 174.600 0.125 0.000 1.027 66 S CA 2.843 61.072 58.200 0.047 0.000 0.991 66 S CB -0.371 62.844 63.200 0.023 0.000 0.823 66 S HN -0.464 7.870 8.310 0.039 0.000 0.469 67 F N 3.396 123.332 119.950 -0.023 0.000 2.010 67 F HA -0.356 4.178 4.527 0.012 0.000 0.296 67 F C 1.184 176.977 175.800 -0.012 0.000 1.146 67 F CA 1.575 59.578 58.000 0.006 0.000 1.181 67 F CB -0.499 38.526 39.000 0.042 0.000 0.965 67 F HN -0.583 7.784 8.300 0.248 0.082 0.480 68 Q N -2.452 117.374 119.800 0.042 0.000 2.268 68 Q HA -0.518 3.604 4.340 -0.364 0.000 0.210 68 Q C 2.634 178.553 176.000 -0.136 0.000 0.988 68 Q CA 3.052 58.702 55.803 -0.254 0.000 0.883 68 Q CB -0.846 27.602 28.738 -0.483 0.000 0.911 68 Q HN 0.788 8.972 8.270 0.056 0.119 0.430 69 Q N -1.276 118.503 119.800 -0.035 0.000 2.096 69 Q HA -0.171 4.126 4.340 -0.071 0.000 0.197 69 Q C 2.529 178.533 176.000 0.008 0.000 0.964 69 Q CA 2.679 58.463 55.803 -0.032 0.000 0.838 69 Q CB 0.373 29.096 28.738 -0.024 0.000 0.906 69 Q HN -0.681 7.458 8.270 0.009 0.137 0.444 70 M N -1.522 118.118 119.600 0.067 0.000 2.388 70 M HA -0.114 4.375 4.480 0.014 0.000 0.265 70 M C 2.198 178.554 176.300 0.093 0.000 1.088 70 M CA 2.384 57.719 55.300 0.059 0.000 1.134 70 M CB 0.196 32.823 32.600 0.044 0.000 1.384 70 M HN -0.164 8.108 8.290 0.111 0.085 0.447 71 L N 0.678 122.034 121.223 0.223 0.000 2.011 71 L HA -0.359 4.249 4.340 0.445 0.000 0.225 71 L C 1.837 178.774 176.870 0.113 0.000 1.084 71 L CA 3.682 58.688 54.840 0.275 0.000 0.791 71 L CB -1.100 41.078 42.059 0.198 0.000 0.898 71 L HN 0.862 9.137 8.230 0.276 0.120 0.440 72 V N -5.256 114.691 119.914 0.057 0.000 2.575 72 V HA -0.272 3.873 4.120 0.042 0.000 0.242 72 V C 2.315 178.396 176.094 -0.022 0.000 1.045 72 V CA 2.663 64.975 62.300 0.019 0.000 1.065 72 V CB -0.380 31.442 31.823 -0.001 0.000 0.717 72 V HN -0.580 7.631 8.190 0.035 0.000 0.467 73 Q N -0.993 118.793 119.800 -0.023 0.000 2.439 73 Q HA -0.271 4.047 4.340 -0.036 0.000 0.211 73 Q C 1.778 177.754 176.000 -0.041 0.000 0.978 73 Q CA 2.492 58.276 55.803 -0.032 0.000 0.897 73 Q CB -0.276 28.446 28.738 -0.027 0.000 0.956 73 Q HN -0.525 7.736 8.270 -0.015 0.000 0.483 74 S N -0.376 115.292 115.700 -0.054 0.000 2.317 74 S HA -0.202 4.229 4.470 -0.064 0.000 0.212 74 S C 1.429 175.971 174.600 -0.097 0.000 1.030 74 S CA 2.924 61.075 58.200 -0.082 0.000 0.970 74 S CB 0.342 63.471 63.200 -0.117 0.000 0.928 74 S HN 0.157 8.303 8.310 -0.044 0.138 0.451 75 L N -3.152 117.990 121.223 -0.136 0.000 2.130 75 L HA 0.311 4.596 4.340 -0.092 0.000 0.200 75 L C 2.033 178.863 176.870 -0.067 0.000 1.075 75 L CA 1.923 56.696 54.840 -0.113 0.000 0.768 75 L CB -0.060 41.899 42.059 -0.166 0.000 0.933 75 L HN -0.578 7.545 8.230 -0.179 0.000 0.451 76 E N 0.658 120.821 120.200 -0.062 0.000 2.171 76 E HA -0.366 3.947 4.350 -0.061 0.000 0.197 76 E C 2.884 179.443 176.600 -0.068 0.000 0.997 76 E CA 2.808 59.171 56.400 -0.062 0.000 0.810 76 E CB -1.279 28.386 29.700 -0.058 0.000 0.738 76 E HN -0.338 7.981 8.360 -0.068 0.000 0.467 77 E N -1.553 118.613 120.200 -0.056 0.000 2.204 77 E HA -0.212 4.108 4.350 -0.050 0.000 0.195 77 E C 2.257 178.834 176.600 -0.038 0.000 0.990 77 E CA 2.992 59.364 56.400 -0.046 0.000 0.821 77 E CB -0.102 29.576 29.700 -0.037 0.000 0.750 77 E HN -0.304 8.004 8.360 -0.055 0.018 0.477 78 C N -3.183 116.096 119.300 -0.036 0.000 2.524 78 C HA 0.174 4.625 4.460 -0.014 0.000 0.284 78 C C 2.073 177.053 174.990 -0.016 0.000 1.346 78 C CA 1.702 60.707 59.018 -0.021 0.000 1.739 78 C CB 1.529 29.257 27.740 -0.020 0.000 2.119 78 C HN -0.065 7.984 8.230 -0.042 0.155 0.501 79 T N 2.844 117.389 114.554 -0.014 0.000 2.652 79 T HA -0.389 3.978 4.350 0.029 0.000 0.267 79 T C 1.874 176.588 174.700 0.024 0.000 1.039 79 T CA 3.339 65.456 62.100 0.029 0.000 1.153 79 T CB -0.750 68.151 68.868 0.056 0.000 0.863 79 T HN 0.209 8.435 8.240 -0.024 0.000 0.428 80 K N 1.826 122.163 120.400 -0.105 0.000 2.000 80 K HA -0.301 3.692 4.320 -0.546 0.000 0.218 80 K C 1.166 177.608 176.600 -0.263 0.000 1.053 80 K CA 3.156 59.244 56.287 -0.332 0.000 0.946 80 K CB -0.074 32.261 32.500 -0.275 0.000 0.723 80 K HN -0.382 7.806 8.250 -0.103 0.000 0.446 81 L N -5.419 115.777 121.223 -0.045 0.000 2.476 81 L HA 0.171 4.637 4.340 0.209 0.000 0.264 81 L C -1.755 175.168 176.870 0.088 0.000 1.224 81 L CA -1.938 52.954 54.840 0.086 0.000 0.821 81 L CB -1.272 40.823 42.059 0.059 0.000 1.101 81 L HN -0.811 7.389 8.230 -0.050 0.000 0.488 82 P HA -0.144 4.330 4.420 0.090 0.000 0.191 82 P C -0.462 176.852 177.300 0.022 0.000 0.942 82 P CA 1.040 64.184 63.100 0.073 0.000 1.312 82 P CB -1.012 30.722 31.700 0.056 0.000 1.452 83 E N 3.892 124.088 120.200 -0.007 0.000 2.097 83 E HA -0.471 4.007 4.350 -0.011 -0.134 0.196 83 E C 1.252 177.836 176.600 -0.027 0.000 1.000 83 E CA 2.342 58.725 56.400 -0.029 0.000 0.804 83 E CB -0.283 29.374 29.700 -0.072 0.000 0.740 83 E HN 0.103 8.454 8.360 -0.007 0.004 0.454 84 A N 0.704 123.501 122.820 -0.037 0.000 1.344 84 A HA -0.357 3.952 4.320 -0.019 0.000 0.222 84 A C -0.035 177.546 177.584 -0.005 0.000 0.364 84 A CA 2.019 54.047 52.037 -0.017 0.000 1.096 84 A CB -2.025 16.976 19.000 0.001 0.000 1.468 84 A HN 0.331 8.447 8.150 -0.056 0.000 0.722 85 Q N -1.211 118.595 119.800 0.010 0.000 2.303 85 Q HA 0.112 4.507 4.340 0.092 0.000 0.303 85 Q C -1.137 174.906 176.000 0.070 0.000 0.831 85 Q CA -1.111 54.728 55.803 0.060 0.000 1.066 85 Q CB 1.149 29.926 28.738 0.065 0.000 1.354 85 Q HN 0.137 8.344 8.270 0.004 0.066 0.394 86 Q N -1.334 118.478 119.800 0.020 0.000 2.730 86 Q HA -0.267 4.090 4.340 0.027 0.000 0.255 86 Q C -0.353 175.709 176.000 0.104 0.000 1.155 86 Q CA 0.630 56.452 55.803 0.033 0.000 1.035 86 Q CB 0.716 29.456 28.738 0.003 0.000 1.335 86 Q HN -0.459 7.794 8.270 -0.029 0.000 0.556 87 R N -3.635 116.921 120.500 0.094 0.000 3.090 87 R HA 0.243 4.701 4.340 0.196 0.000 0.279 87 R C -0.567 175.796 176.300 0.105 0.000 1.462 87 R CA -0.464 55.714 56.100 0.129 0.000 1.044 87 R CB 0.280 30.640 30.300 0.100 0.000 1.365 87 R HN 0.236 8.540 8.270 0.056 0.000 0.399 88 V N 4.028 124.035 119.914 0.155 0.000 2.392 88 V HA -0.392 3.772 4.120 0.073 0.000 0.249 88 V C 1.609 177.874 176.094 0.284 0.000 1.059 88 V CA 2.862 65.283 62.300 0.202 0.000 1.051 88 V CB -0.403 31.621 31.823 0.335 0.000 0.658 88 V HN 0.211 8.512 8.190 0.185 0.000 0.455 89 G N -1.299 107.643 108.800 0.236 0.000 2.484 89 G HA2 -0.344 3.781 3.960 0.274 0.000 0.215 89 G HA3 -0.344 3.705 3.960 0.148 0.000 0.215 89 G C 1.190 176.164 174.900 0.124 0.000 1.219 89 G CA 1.820 47.041 45.100 0.201 0.000 0.791 89 G HN -0.012 8.526 8.290 0.201 -0.127 0.550 90 G N 0.588 109.434 108.800 0.076 0.000 2.545 90 G HA2 -0.377 3.599 3.960 0.027 0.000 0.222 90 G HA3 -0.377 3.600 3.960 0.029 0.000 0.222 90 G C 0.221 175.127 174.900 0.010 0.000 1.126 90 G CA 2.128 47.249 45.100 0.035 0.000 0.754 90 G HN 0.202 8.543 8.290 0.084 0.000 0.583 91 C N 0.450 119.747 119.300 -0.005 0.000 2.631 91 C HA -0.124 4.296 4.460 -0.067 0.000 0.283 91 C C 1.617 176.569 174.990 -0.064 0.000 1.295 91 C CA 0.755 59.727 59.018 -0.076 0.000 1.697 91 C CB -0.145 27.497 27.740 -0.163 0.000 2.128 91 C HN -0.738 7.482 8.230 0.017 0.020 0.503 92 F N 1.206 121.139 119.950 -0.027 0.000 2.184 92 F HA -0.367 4.122 4.527 -0.063 0.000 0.301 92 F C 2.099 177.779 175.800 -0.199 0.000 1.076 92 F CA 3.501 61.443 58.000 -0.097 0.000 1.295 92 F CB -0.928 38.032 39.000 -0.067 0.000 1.026 92 F HN 0.091 8.393 8.300 0.004 0.000 0.494 93 L N -1.623 119.625 121.223 0.042 0.000 2.265 93 L HA -0.283 4.007 4.340 -0.085 0.000 0.215 93 L C 1.276 178.111 176.870 -0.058 0.000 1.117 93 L CA 2.465 57.283 54.840 -0.036 0.000 0.782 93 L CB -0.319 41.733 42.059 -0.013 0.000 0.914 93 L HN 0.637 8.784 8.230 0.082 0.132 0.441 94 N N -1.638 117.027 118.700 -0.058 0.000 2.402 94 N HA -0.095 4.603 4.740 -0.071 0.000 0.174 94 N C 0.897 176.334 175.510 -0.122 0.000 1.027 94 N CA 2.413 55.415 53.050 -0.081 0.000 0.891 94 N CB 0.624 39.064 38.487 -0.078 0.000 1.016 94 N HN 0.153 8.321 8.380 -0.043 0.186 0.439 95 L N -1.220 119.917 121.223 -0.142 0.000 2.509 95 L HA 0.041 4.190 4.340 -0.317 0.000 0.222 95 L C 1.089 177.822 176.870 -0.227 0.000 1.123 95 L CA 0.668 55.345 54.840 -0.271 0.000 0.856 95 L CB -0.238 41.605 42.059 -0.360 0.000 0.985 95 L HN -0.839 7.232 8.230 -0.090 0.106 0.456 96 M N 1.124 120.632 119.600 -0.154 0.000 2.077 96 M HA -0.133 4.259 4.480 -0.148 0.000 0.261 96 M C -1.788 174.462 176.300 -0.084 0.000 1.070 96 M CA 5.743 60.948 55.300 -0.159 0.000 1.125 96 M CB -2.749 29.707 32.600 -0.239 0.000 1.339 96 M HN 0.117 8.286 8.290 -0.134 0.041 0.409 97 P HA -0.330 4.071 4.420 -0.032 0.000 0.219 97 P C 0.733 178.015 177.300 -0.029 0.000 1.151 97 P CA 2.916 65.987 63.100 -0.047 0.000 0.850 97 P CB -0.812 30.855 31.700 -0.055 0.000 0.784 98 Q N -6.841 112.925 119.800 -0.056 0.000 2.297 98 Q HA -0.103 4.234 4.340 -0.006 0.000 0.203 98 Q C 2.054 178.080 176.000 0.042 0.000 0.931 98 Q CA 1.562 57.346 55.803 -0.032 0.000 0.885 98 Q CB 0.430 29.108 28.738 -0.100 0.000 0.991 98 Q HN -0.660 7.513 8.270 -0.102 0.035 0.498 99 M N 1.995 121.631 119.600 0.060 0.000 2.175 99 M HA -0.366 4.299 4.480 0.308 0.000 0.264 99 M C 1.514 177.963 176.300 0.250 0.000 1.063 99 M CA 3.731 59.171 55.300 0.233 0.000 1.119 99 M CB 0.124 32.918 32.600 0.324 0.000 1.377 99 M HN -0.319 7.858 8.290 -0.026 0.098 0.415 100 K N -1.552 118.945 120.400 0.163 0.000 2.152 100 K HA -0.326 4.135 4.320 0.234 0.000 0.206 100 K C 2.046 178.748 176.600 0.170 0.000 1.048 100 K CA 3.905 60.292 56.287 0.166 0.000 0.933 100 K CB -0.138 32.407 32.500 0.075 0.000 0.721 100 K HN 0.662 8.852 8.250 0.088 0.113 0.447 101 T N 0.954 115.594 114.554 0.143 0.000 2.851 101 T HA -0.186 4.232 4.350 0.114 0.000 0.262 101 T C 1.605 176.417 174.700 0.186 0.000 1.043 101 T CA 3.944 66.123 62.100 0.132 0.000 1.140 101 T CB -0.454 68.469 68.868 0.091 0.000 0.872 101 T HN -0.810 7.370 8.240 0.120 0.133 0.446 102 L N 0.158 121.514 121.223 0.223 0.000 2.240 102 L HA -0.249 4.224 4.340 0.221 0.000 0.211 102 L C 1.904 179.018 176.870 0.406 0.000 1.106 102 L CA 2.591 57.587 54.840 0.261 0.000 0.793 102 L CB -0.969 41.226 42.059 0.227 0.000 0.927 102 L HN -0.686 7.594 8.230 0.207 0.074 0.446 103 Y N 0.245 120.708 120.300 0.272 0.000 2.176 103 Y HA -0.281 4.557 4.550 0.481 0.000 0.291 103 Y C 1.489 177.536 175.900 0.245 0.000 1.122 103 Y CA 1.034 59.332 58.100 0.331 0.000 1.128 103 Y CB 0.042 38.678 38.460 0.293 0.000 1.005 103 Y HN 0.422 8.849 8.280 0.453 0.124 0.509 104 L N -1.871 119.507 121.223 0.259 0.000 2.012 104 L HA -0.375 3.946 4.340 -0.031 0.000 0.210 104 L C 2.548 179.503 176.870 0.141 0.000 1.073 104 L CA 2.985 57.880 54.840 0.091 0.000 0.748 104 L CB -0.230 41.865 42.059 0.060 0.000 0.891 104 L HN -0.509 7.889 8.230 0.280 0.000 0.431 105 T N -0.077 114.593 114.554 0.195 0.000 2.652 105 T HA -0.339 4.093 4.350 0.137 0.000 0.267 105 T C 1.734 176.582 174.700 0.247 0.000 1.039 105 T CA 4.016 66.231 62.100 0.192 0.000 1.153 105 T CB -0.445 68.542 68.868 0.198 0.000 0.863 105 T HN -0.638 7.729 8.240 0.210 0.000 0.428 106 Y N 2.996 123.390 120.300 0.157 0.000 2.102 106 Y HA -0.385 4.221 4.550 0.093 0.000 0.280 106 Y C 1.920 177.928 175.900 0.179 0.000 1.178 106 Y CA 3.325 61.499 58.100 0.123 0.000 1.146 106 Y CB -0.558 37.937 38.460 0.058 0.000 0.968 106 Y HN -0.621 7.927 8.280 0.448 0.000 0.504 107 C N -3.548 115.865 119.300 0.188 0.000 2.422 107 C HA -0.322 4.095 4.460 -0.071 0.000 0.279 107 C C 1.462 176.451 174.990 -0.001 0.000 1.305 107 C CA 3.396 62.429 59.018 0.025 0.000 1.757 107 C CB -1.410 26.324 27.740 -0.010 0.000 1.962 107 C HN -0.347 8.056 8.230 0.290 0.000 0.499 108 A N -1.878 120.965 122.820 0.037 0.000 2.030 108 A HA -0.075 4.242 4.320 -0.004 0.000 0.215 108 A C 0.965 178.565 177.584 0.026 0.000 1.164 108 A CA 2.148 54.197 52.037 0.020 0.000 0.697 108 A CB -0.322 18.694 19.000 0.026 0.000 0.827 108 A HN -0.370 7.707 8.150 0.078 0.119 0.457 109 N N -2.766 115.963 118.700 0.048 0.000 2.373 109 N HA 0.020 4.774 4.740 0.022 0.000 0.181 109 N C 1.185 176.678 175.510 -0.029 0.000 1.082 109 N CA 1.285 54.358 53.050 0.039 0.000 0.885 109 N CB 0.436 39.001 38.487 0.130 0.000 0.977 109 N HN 0.319 8.545 8.380 0.079 0.202 0.462 110 H N 2.702 121.649 119.070 -0.206 0.000 2.292 110 H HA -0.259 4.036 4.556 -0.434 0.000 0.292 110 H C -0.803 174.424 175.328 -0.167 0.000 1.100 110 H CA 6.621 62.485 56.048 -0.307 0.000 1.238 110 H CB -1.475 28.073 29.762 -0.358 0.000 1.355 110 H HN 0.083 8.320 8.280 0.005 0.046 0.484 111 P HA -0.279 4.133 4.420 -0.013 0.000 0.216 111 P C 1.742 179.003 177.300 -0.066 0.000 1.157 111 P CA 3.166 66.251 63.100 -0.025 0.000 0.880 111 P CB -0.541 31.143 31.700 -0.027 0.000 0.791 112 S N -2.088 113.558 115.700 -0.091 0.000 2.402 112 S HA -0.288 4.094 4.470 -0.148 0.000 0.229 112 S C 1.651 176.110 174.600 -0.235 0.000 1.021 112 S CA 2.777 60.880 58.200 -0.162 0.000 0.974 112 S CB -0.411 62.684 63.200 -0.176 0.000 0.800 112 S HN -0.429 7.840 8.310 -0.069 0.000 0.484 113 A N 3.235 125.962 122.820 -0.155 0.000 1.849 113 A HA -0.331 3.999 4.320 0.017 0.000 0.217 113 A C 1.953 179.508 177.584 -0.049 0.000 1.202 113 A CA 3.111 55.130 52.037 -0.030 0.000 0.629 113 A CB -0.959 18.021 19.000 -0.034 0.000 0.834 113 A HN 0.058 8.010 8.150 -0.117 0.128 0.447 114 V N -2.353 117.527 119.914 -0.057 0.000 2.439 114 V HA -0.501 3.617 4.120 -0.004 0.000 0.253 114 V C 1.868 177.927 176.094 -0.058 0.000 1.074 114 V CA 3.911 66.192 62.300 -0.033 0.000 1.076 114 V CB -1.174 30.636 31.823 -0.021 0.000 0.664 114 V HN -0.526 7.619 8.190 -0.075 0.000 0.461 115 N N -0.279 118.358 118.700 -0.105 0.000 2.039 115 N HA -0.251 4.436 4.740 -0.088 0.000 0.193 115 N C 2.387 177.788 175.510 -0.181 0.000 1.044 115 N CA 2.969 55.942 53.050 -0.128 0.000 0.847 115 N CB -0.365 38.033 38.487 -0.149 0.000 1.030 115 N HN -0.964 7.230 8.380 -0.116 0.116 0.422 116 V N 0.266 119.998 119.914 -0.303 0.000 2.370 116 V HA -0.489 3.254 4.120 -0.627 0.000 0.252 116 V C 2.001 177.933 176.094 -0.270 0.000 1.068 116 V CA 3.598 65.616 62.300 -0.469 0.000 1.061 116 V CB -0.846 30.609 31.823 -0.613 0.000 0.656 116 V HN -0.232 7.752 8.190 -0.343 0.000 0.455 117 L N -0.808 120.379 121.223 -0.061 0.000 1.937 117 L HA -0.450 3.949 4.340 0.098 0.000 0.213 117 L C 2.974 179.860 176.870 0.027 0.000 1.077 117 L CA 3.524 58.386 54.840 0.036 0.000 0.758 117 L CB -1.195 40.894 42.059 0.050 0.000 0.888 117 L HN -0.457 7.727 8.230 -0.053 0.015 0.433 118 T N -0.754 113.802 114.554 0.002 0.000 2.869 118 T HA -0.388 3.972 4.350 0.017 0.000 0.270 118 T C 1.682 176.397 174.700 0.025 0.000 1.082 118 T CA 3.499 65.604 62.100 0.009 0.000 1.123 118 T CB -0.776 68.089 68.868 -0.005 0.000 0.856 118 T HN -0.440 7.793 8.240 -0.011 0.000 0.499 119 E N -2.342 117.863 120.200 0.009 0.000 2.318 119 E HA -0.006 4.385 4.350 0.067 0.000 0.193 119 E C 0.595 177.356 176.600 0.268 0.000 0.998 119 E CA 1.472 57.911 56.400 0.066 0.000 0.859 119 E CB 0.880 30.562 29.700 -0.029 0.000 0.812 119 E HN -0.477 7.724 8.360 -0.044 0.133 0.492 120 H N -3.161 115.932 119.070 0.039 0.000 2.512 120 H HA 0.294 4.882 4.556 0.054 0.000 0.276 120 H C 0.577 175.932 175.328 0.044 0.000 1.126 120 H CA -1.274 54.810 56.048 0.060 0.000 1.060 120 H CB 0.667 30.493 29.762 0.107 0.000 1.646 120 H HN 0.105 8.207 8.280 0.129 0.256 0.571 121 S N 0.831 116.610 115.700 0.130 0.000 2.419 121 S HA -0.418 4.075 4.470 0.038 0.000 0.233 121 S C 1.117 175.732 174.600 0.025 0.000 1.016 121 S CA 3.753 61.984 58.200 0.052 0.000 0.974 121 S CB -0.198 63.017 63.200 0.026 0.000 0.786 121 S HN 0.063 8.376 8.310 0.122 0.070 0.492 122 E N -1.667 118.556 120.200 0.040 0.000 2.127 122 E HA -0.194 4.156 4.350 -0.001 0.000 0.191 122 E C 1.153 177.764 176.600 0.019 0.000 0.964 122 E CA 2.513 58.923 56.400 0.017 0.000 0.832 122 E CB 0.161 29.872 29.700 0.018 0.000 0.790 122 E HN 0.300 8.676 8.360 0.064 0.023 0.465 123 E N -1.025 119.192 120.200 0.029 0.000 2.033 123 E HA -0.175 4.190 4.350 0.025 0.000 0.189 123 E C 2.061 178.723 176.600 0.104 0.000 0.979 123 E CA 2.207 58.622 56.400 0.025 0.000 0.802 123 E CB -0.190 29.468 29.700 -0.069 0.000 0.763 123 E HN -0.100 8.285 8.360 0.041 0.000 0.449 124 L N -0.757 120.552 121.223 0.143 0.000 2.109 124 L HA -0.130 4.553 4.340 0.571 0.000 0.207 124 L C 2.322 179.131 176.870 -0.102 0.000 1.086 124 L CA 2.021 57.004 54.840 0.238 0.000 0.760 124 L CB -0.161 42.079 42.059 0.301 0.000 0.910 124 L HN 0.088 8.295 8.230 0.132 0.102 0.437 125 G N -4.354 104.391 108.800 -0.091 0.000 2.535 125 G HA2 -0.315 3.468 3.960 -0.295 0.000 0.218 125 G HA3 -0.315 3.790 3.960 -0.118 -0.215 0.218 125 G C 0.702 175.496 174.900 -0.176 0.000 1.122 125 G CA 1.635 46.625 45.100 -0.182 0.000 0.769 125 G HN -0.371 7.828 8.290 -0.007 0.088 0.549 126 E N 0.731 120.878 120.200 -0.090 0.000 2.075 126 E HA -0.066 4.252 4.350 -0.053 0.000 0.190 126 E C 1.754 178.345 176.600 -0.015 0.000 0.969 126 E CA 1.982 58.360 56.400 -0.036 0.000 0.815 126 E CB 0.321 30.036 29.700 0.025 0.000 0.776 126 E HN -0.765 7.394 8.360 -0.033 0.181 0.457 127 F N -1.097 118.857 119.950 0.006 0.000 2.134 127 F HA -0.280 4.260 4.527 0.021 0.000 0.299 127 F C 1.355 177.179 175.800 0.041 0.000 1.097 127 F CA 1.926 59.941 58.000 0.026 0.000 1.264 127 F CB -0.330 38.693 39.000 0.039 0.000 1.001 127 F HN -0.809 7.589 8.300 0.163 0.000 0.479 128 M N -2.953 116.040 119.600 -1.012 0.000 2.103 128 M HA -0.395 3.667 4.480 -0.697 0.000 0.255 128 M C 1.324 177.507 176.300 -0.194 0.000 1.074 128 M CA 2.909 57.773 55.300 -0.728 0.000 1.090 128 M CB -0.181 31.926 32.600 -0.822 0.000 1.325 128 M HN -0.633 6.881 8.290 -1.294 0.000 0.403 129 E N -1.029 119.078 120.200 -0.154 0.000 1.969 129 E HA -0.276 4.134 4.350 -0.055 -0.093 0.204 129 E C 2.008 178.615 176.600 0.012 0.000 0.982 129 E CA 2.047 58.414 56.400 -0.056 0.000 0.871 129 E CB -0.168 29.502 29.700 -0.051 0.000 0.815 129 E HN -0.509 7.726 8.360 -0.207 0.002 0.527 130 T N -3.938 110.634 114.554 0.030 0.000 3.978 130 T HA -0.365 4.013 4.350 0.046 0.000 0.339 130 T C -0.785 173.940 174.700 0.041 0.000 0.764 130 T CA 1.844 63.976 62.100 0.053 0.000 1.874 130 T CB -0.815 68.112 68.868 0.097 0.000 1.901 130 T HN 0.268 8.519 8.240 0.018 0.000 0.814 131 K N -4.151 116.264 120.400 0.025 0.000 2.258 131 K HA 0.023 4.355 4.320 0.019 0.000 0.195 131 K C -1.063 175.544 176.600 0.012 0.000 2.681 131 K CA 0.899 57.199 56.287 0.021 0.000 1.327 131 K CB 1.109 33.627 32.500 0.030 0.000 2.938 131 K HN 0.087 8.301 8.250 0.015 0.045 0.355 132 G N 0.405 109.211 108.800 0.010 0.000 3.559 132 G HA2 -0.048 3.907 3.960 -0.009 0.000 0.239 132 G HA3 -0.048 3.915 3.960 0.004 0.000 0.239 132 G C -2.116 172.786 174.900 0.003 0.000 3.928 132 G CA 0.411 45.511 45.100 0.001 0.000 0.458 132 G HN -0.507 7.793 8.290 0.017 0.000 0.270 133 A N 1.707 124.519 122.820 -0.013 0.000 2.275 133 A HA 0.001 4.344 4.320 0.039 0.000 0.276 133 A C -0.656 176.920 177.584 -0.014 0.000 1.232 133 A CA 0.225 52.256 52.037 -0.010 0.000 0.814 133 A CB 0.371 19.316 19.000 -0.091 0.000 1.145 133 A HN -0.232 7.900 8.150 -0.030 0.000 0.508 134 S N -1.731 113.966 115.700 -0.006 0.000 2.592 134 S HA -0.130 4.348 4.470 0.012 0.000 0.247 134 S C 0.721 175.301 174.600 -0.035 0.000 1.322 134 S CA 0.904 59.102 58.200 -0.003 0.000 0.973 134 S CB 0.584 63.798 63.200 0.024 0.000 0.971 134 S HN 0.223 8.541 8.310 0.012 0.000 0.545 135 S N -0.991 114.693 115.700 -0.028 0.000 2.566 135 S HA 0.211 4.658 4.470 -0.037 0.000 0.234 135 S C -1.092 173.481 174.600 -0.045 0.000 1.075 135 S CA 1.748 59.928 58.200 -0.032 0.000 0.926 135 S CB -0.694 62.497 63.200 -0.016 0.000 0.811 135 S HN 0.132 8.435 8.310 -0.012 0.000 0.518 136 P HA 0.134 4.533 4.420 -0.035 0.000 0.249 136 P C -0.815 176.433 177.300 -0.087 0.000 1.686 136 P CA -0.808 62.266 63.100 -0.044 0.000 0.873 136 P CB -1.768 29.922 31.700 -0.018 0.000 1.828 137 G N 1.036 109.767 108.800 -0.114 0.000 2.578 137 G HA2 -0.402 3.450 3.960 -0.180 0.000 0.313 137 G HA3 -0.402 3.475 3.960 -0.139 0.000 0.313 137 G C 0.393 175.108 174.900 -0.308 0.000 1.324 137 G CA 0.971 45.966 45.100 -0.175 0.000 0.955 137 G HN -0.028 8.105 8.290 -0.092 0.101 0.541 138 I N 1.628 121.992 120.570 -0.342 0.000 3.728 138 I HA 0.121 3.694 4.170 -0.994 0.000 0.307 138 I C 1.000 176.966 176.117 -0.252 0.000 1.276 138 I CA 0.048 61.025 61.300 -0.538 0.000 1.285 138 I CB 0.297 38.019 38.000 -0.463 0.000 1.038 138 I HN 0.227 8.295 8.210 -0.238 0.000 0.445 139 L N -0.258 120.897 121.223 -0.114 0.000 2.549 139 L HA -0.202 4.159 4.340 0.034 0.000 0.229 139 L C 1.796 178.686 176.870 0.033 0.000 1.158 139 L CA 1.841 56.677 54.840 -0.007 0.000 0.842 139 L CB -1.904 40.155 42.059 -0.000 0.000 0.952 139 L HN -0.526 7.580 8.230 -0.126 0.049 0.452 140 V N 0.091 120.007 119.914 0.005 0.000 2.511 140 V HA -0.447 3.715 4.120 0.070 0.000 0.257 140 V C 1.960 178.159 176.094 0.175 0.000 1.088 140 V CA 2.379 64.736 62.300 0.095 0.000 1.098 140 V CB -1.594 30.318 31.823 0.148 0.000 0.674 140 V HN -0.481 7.578 8.190 -0.099 0.072 0.470 141 L N -0.377 120.983 121.223 0.228 0.000 1.929 141 L HA -0.443 4.040 4.340 0.238 0.000 0.229 141 L C 1.215 178.197 176.870 0.188 0.000 1.086 141 L CA 4.427 59.405 54.840 0.230 0.000 0.798 141 L CB -0.835 41.366 42.059 0.237 0.000 0.898 141 L HN -0.795 7.526 8.230 0.218 0.040 0.436 142 T N -3.207 111.446 114.554 0.165 0.000 2.564 142 T HA -0.440 4.017 4.350 0.179 0.000 0.264 142 T C 2.482 177.274 174.700 0.154 0.000 1.100 142 T CA 3.112 65.300 62.100 0.148 0.000 1.171 142 T CB -1.145 67.775 68.868 0.087 0.000 0.863 142 T HN -0.078 8.255 8.240 0.155 0.000 0.430 143 T N 2.594 117.218 114.554 0.117 0.000 2.544 143 T HA -0.393 4.015 4.350 0.096 0.000 0.264 143 T C 2.499 177.269 174.700 0.118 0.000 1.096 143 T CA 3.120 65.281 62.100 0.102 0.000 1.181 143 T CB -0.959 67.954 68.868 0.075 0.000 0.864 143 T HN -0.575 7.726 8.240 0.101 0.000 0.415 144 G N 0.394 109.266 108.800 0.121 0.000 2.559 144 G HA2 -0.117 3.981 3.960 0.097 0.000 0.216 144 G HA3 -0.117 3.997 3.960 0.112 -0.087 0.216 144 G C 0.711 175.699 174.900 0.146 0.000 1.126 144 G CA 1.249 46.419 45.100 0.117 0.000 0.778 144 G HN -0.039 8.324 8.290 0.121 0.000 0.543 145 L N -2.425 118.915 121.223 0.195 0.000 2.872 145 L HA 0.252 4.730 4.340 0.230 0.000 0.245 145 L C -0.635 176.482 176.870 0.412 0.000 1.211 145 L CA -0.738 54.270 54.840 0.280 0.000 1.013 145 L CB -0.335 41.903 42.059 0.298 0.000 1.326 145 L HN 0.187 8.270 8.230 0.190 0.261 0.525 146 S N -0.222 115.654 115.700 0.292 0.000 2.497 146 S HA -0.013 4.694 4.470 0.395 0.000 0.218 146 S C 0.710 175.444 174.600 0.223 0.000 1.023 146 S CA 2.417 60.791 58.200 0.289 0.000 0.913 146 S CB 0.272 63.589 63.200 0.194 0.000 0.800 146 S HN -0.293 8.065 8.310 0.213 0.080 0.505 147 K N 2.110 122.601 120.400 0.152 0.000 2.067 147 K HA 0.163 4.521 4.320 0.064 0.000 0.203 147 K C -0.678 175.931 176.600 0.015 0.000 1.048 147 K CA 3.470 59.801 56.287 0.073 0.000 0.954 147 K CB -2.065 30.462 32.500 0.043 0.000 0.737 147 K HN -0.121 8.220 8.250 0.151 0.000 0.444 148 P HA -0.234 3.994 4.420 -0.321 0.000 0.219 148 P C 0.422 177.421 177.300 -0.502 0.000 1.144 148 P CA 2.452 65.380 63.100 -0.287 0.000 0.806 148 P CB -0.567 31.017 31.700 -0.193 0.000 0.771 149 F N -6.462 113.367 119.950 -0.201 0.000 2.811 149 F HA 0.023 4.348 4.527 -0.338 0.000 0.301 149 F C -0.054 175.646 175.800 -0.166 0.000 1.151 149 F CA 0.742 58.626 58.000 -0.194 0.000 1.412 149 F CB -0.707 38.301 39.000 0.013 0.000 1.113 149 F HN -0.489 7.894 8.300 0.220 0.049 0.579 150 M N -1.671 117.905 119.600 -0.040 0.000 2.486 150 M HA 0.170 4.649 4.480 -0.002 0.000 0.264 150 M C 1.246 177.447 176.300 -0.165 0.000 1.125 150 M CA 1.430 56.696 55.300 -0.057 0.000 1.144 150 M CB 1.008 33.588 32.600 -0.033 0.000 1.353 150 M HN 0.268 8.303 8.290 -0.079 0.208 0.466 151 R N -0.280 120.045 120.500 -0.293 0.000 2.341 151 R HA -0.256 3.905 4.340 -0.299 0.000 0.213 151 R C 2.658 178.635 176.300 -0.539 0.000 1.082 151 R CA 2.640 58.500 56.100 -0.401 0.000 1.017 151 R CB -1.115 28.889 30.300 -0.493 0.000 0.860 151 R HN -0.358 7.721 8.270 -0.318 0.000 0.473 152 L N -2.088 118.873 121.223 -0.437 0.000 2.275 152 L HA -0.209 3.764 4.340 -0.612 0.000 0.215 152 L C 0.925 177.669 176.870 -0.210 0.000 1.119 152 L CA 2.363 56.990 54.840 -0.355 0.000 0.790 152 L CB -0.281 41.700 42.059 -0.130 0.000 0.919 152 L HN -0.136 7.818 8.230 -0.344 0.069 0.443 153 D N -1.542 118.766 120.400 -0.153 0.000 2.348 153 D HA -0.106 4.509 4.640 -0.041 0.000 0.216 153 D C 0.673 176.903 176.300 -0.116 0.000 0.970 153 D CA 2.412 56.360 54.000 -0.086 0.000 0.889 153 D CB -0.108 40.662 40.800 -0.050 0.000 0.912 153 D HN -0.342 7.897 8.370 -0.162 0.033 0.524 154 K N -2.971 117.309 120.400 -0.200 0.000 2.354 154 K HA 0.091 4.348 4.320 -0.105 0.000 0.194 154 K C 1.278 177.774 176.600 -0.173 0.000 1.038 154 K CA -0.453 55.731 56.287 -0.172 0.000 1.052 154 K CB 0.336 32.723 32.500 -0.188 0.000 0.861 154 K HN -0.506 7.392 8.250 -0.288 0.179 0.535 155 Y N 2.781 122.878 120.300 -0.339 0.000 2.069 155 Y HA -0.245 4.056 4.550 -0.414 0.000 0.278 155 Y C -0.515 175.190 175.900 -0.325 0.000 1.175 155 Y CA 4.288 62.084 58.100 -0.506 0.000 1.134 155 Y CB -3.257 34.519 38.460 -1.139 0.000 0.965 155 Y HN -0.750 7.196 8.280 -0.373 0.110 0.498 156 P HA -0.248 4.173 4.420 0.002 0.000 0.219 156 P C 1.076 178.393 177.300 0.028 0.000 1.144 156 P CA 2.754 65.847 63.100 -0.011 0.000 0.806 156 P CB -0.680 31.020 31.700 -0.001 0.000 0.771 157 T N 0.750 115.315 114.554 0.019 0.000 2.674 157 T HA -0.361 4.023 4.350 0.056 0.000 0.265 157 T C 1.850 176.599 174.700 0.081 0.000 1.039 157 T CA 4.497 66.624 62.100 0.045 0.000 1.150 157 T CB -0.621 68.257 68.868 0.017 0.000 0.864 157 T HN 0.039 8.078 8.240 -0.012 0.193 0.427 158 L N -0.295 120.982 121.223 0.089 0.000 2.093 158 L HA -0.258 4.152 4.340 0.116 0.000 0.208 158 L C 2.242 179.205 176.870 0.154 0.000 1.085 158 L CA 2.828 57.745 54.840 0.129 0.000 0.755 158 L CB -0.200 41.962 42.059 0.171 0.000 0.904 158 L HN -0.561 7.714 8.230 0.075 0.000 0.435 159 L N -4.450 116.857 121.223 0.139 0.000 2.353 159 L HA -0.373 4.073 4.340 0.176 0.000 0.220 159 L C 1.198 178.137 176.870 0.115 0.000 1.133 159 L CA 2.099 57.023 54.840 0.141 0.000 0.798 159 L CB -0.838 41.292 42.059 0.118 0.000 0.922 159 L HN -0.685 7.549 8.230 0.112 0.063 0.445 160 K N -2.347 118.117 120.400 0.107 0.000 2.056 160 K HA -0.107 4.257 4.320 0.074 0.000 0.205 160 K C 2.182 178.853 176.600 0.118 0.000 1.035 160 K CA 2.183 58.526 56.287 0.093 0.000 0.955 160 K CB 0.809 33.358 32.500 0.082 0.000 0.769 160 K HN -0.519 7.608 8.250 0.106 0.187 0.447 161 E N -1.246 119.048 120.200 0.156 0.000 2.140 161 E HA -0.081 4.367 4.350 0.164 0.000 0.191 161 E C 2.417 179.162 176.600 0.241 0.000 0.973 161 E CA 1.988 58.507 56.400 0.199 0.000 0.829 161 E CB 0.180 30.050 29.700 0.284 0.000 0.781 161 E HN -0.482 7.971 8.360 0.156 0.000 0.466 162 L N 0.157 121.514 121.223 0.224 0.000 2.217 162 L HA -0.160 4.325 4.340 0.242 0.000 0.211 162 L C 1.446 178.521 176.870 0.342 0.000 1.107 162 L CA 2.622 57.605 54.840 0.239 0.000 0.783 162 L CB -0.434 41.732 42.059 0.179 0.000 0.919 162 L HN -0.122 8.135 8.230 0.191 0.087 0.442 163 E N -4.079 116.302 120.200 0.301 0.000 2.190 163 E HA -0.098 4.493 4.350 0.402 0.000 0.191 163 E C 1.755 178.398 176.600 0.072 0.000 0.978 163 E CA 1.776 58.337 56.400 0.269 0.000 0.839 163 E CB 0.357 30.142 29.700 0.142 0.000 0.787 163 E HN -0.784 7.684 8.360 0.225 0.028 0.473 164 R N -3.658 116.909 120.500 0.112 0.000 2.090 164 R HA -0.150 4.097 4.340 -0.155 0.000 0.228 164 R C 1.055 177.362 176.300 0.011 0.000 1.110 164 R CA 2.257 58.341 56.100 -0.028 0.000 0.973 164 R CB 0.909 31.232 30.300 0.038 0.000 0.869 164 R HN -0.783 7.593 8.270 0.176 0.000 0.440 165 H N -3.920 115.189 119.070 0.066 0.000 4.891 165 H HA -0.363 4.246 4.556 0.087 0.000 0.059 165 H C 0.395 175.751 175.328 0.047 0.000 0.587 165 H CA 1.980 58.064 56.048 0.060 0.000 0.970 165 H CB -1.223 28.558 29.762 0.032 0.000 0.535 165 H HN 0.083 8.625 8.280 0.436 0.000 0.802 166 M N 1.544 121.238 119.600 0.156 0.000 3.402 166 M HA 0.166 4.691 4.480 0.075 0.000 0.372 166 M C -0.764 175.553 176.300 0.029 0.000 1.610 166 M CA -0.573 54.772 55.300 0.075 0.000 0.650 166 M CB 0.706 33.341 32.600 0.060 0.000 1.421 166 M HN -0.021 8.288 8.290 0.127 0.057 0.493 167 E N 0.894 121.111 120.200 0.029 0.000 3.966 167 E HA -0.490 3.873 4.350 0.021 0.000 0.204 167 E C -0.516 176.080 176.600 -0.006 0.000 1.215 167 E CA 3.050 59.460 56.400 0.016 0.000 2.203 167 E CB -0.615 29.098 29.700 0.022 0.000 1.837 167 E HN 0.270 8.659 8.360 0.049 0.000 0.327 168 D N -1.482 118.906 120.400 -0.019 0.000 9.143 168 D HA -0.315 4.255 4.640 -0.116 0.000 0.348 168 D C -2.279 174.051 176.300 0.049 0.000 2.867 168 D CA 1.813 55.781 54.000 -0.054 0.000 2.085 168 D CB -0.171 40.578 40.800 -0.086 0.000 1.165 168 D HN 0.164 8.504 8.370 -0.020 0.018 1.153 169 Y N -3.898 116.329 120.300 -0.121 0.000 2.607 169 Y HA -0.132 4.418 4.550 0.000 0.000 0.315 169 Y C 0.301 176.269 175.900 0.113 0.000 0.913 169 Y CA 1.935 60.032 58.100 -0.005 0.000 0.892 169 Y CB 0.937 39.412 38.460 0.025 0.000 1.403 169 Y HN 0.294 8.557 8.280 -0.029 0.000 0.563 170 H N -1.310 117.889 119.070 0.215 0.000 2.422 170 H HA -0.111 4.549 4.556 0.173 0.000 0.298 170 H C 0.500 175.865 175.328 0.063 0.000 1.098 170 H CA 1.980 58.107 56.048 0.132 0.000 1.315 170 H CB 0.493 30.303 29.762 0.079 0.000 1.382 170 H HN 0.145 8.419 8.280 -0.009 0.000 0.523 171 T N -4.828 109.806 114.554 0.133 0.000 2.676 171 T HA 0.012 4.378 4.350 0.027 0.000 0.299 171 T C -1.120 173.566 174.700 -0.023 0.000 1.657 171 T CA -0.208 61.918 62.100 0.043 0.000 0.985 171 T CB 0.437 69.337 68.868 0.054 0.000 1.926 171 T HN -0.694 7.727 8.240 0.103 -0.119 0.456 172 D N -0.264 120.114 120.400 -0.037 0.000 4.271 172 D HA -0.464 4.139 4.640 -0.062 0.000 0.214 172 D C 1.424 177.663 176.300 -0.102 0.000 1.148 172 D CA 3.210 57.159 54.000 -0.084 0.000 2.322 172 D CB -1.066 39.646 40.800 -0.147 0.000 1.183 172 D HN 0.330 8.691 8.370 -0.016 0.000 0.405 173 R N -0.900 119.527 120.500 -0.121 0.000 2.139 173 R HA -0.389 3.884 4.340 -0.111 0.000 0.243 173 R C 1.727 177.971 176.300 -0.094 0.000 1.145 173 R CA 2.526 58.555 56.100 -0.118 0.000 0.976 173 R CB -1.177 29.034 30.300 -0.149 0.000 0.866 173 R HN 0.115 8.259 8.270 -0.121 0.053 0.449 174 Q N -2.727 117.021 119.800 -0.087 0.000 2.290 174 Q HA -0.339 3.950 4.340 -0.085 0.000 0.211 174 Q C 1.786 177.762 176.000 -0.039 0.000 0.991 174 Q CA 2.718 58.482 55.803 -0.065 0.000 0.893 174 Q CB -1.248 27.466 28.738 -0.041 0.000 0.913 174 Q HN 0.382 8.575 8.270 -0.086 0.026 0.428 175 D N -0.617 119.766 120.400 -0.029 0.000 2.194 175 D HA -0.114 4.525 4.640 -0.003 0.000 0.204 175 D C 2.143 178.446 176.300 0.006 0.000 0.964 175 D CA 2.600 56.597 54.000 -0.006 0.000 0.846 175 D CB 0.354 41.157 40.800 0.006 0.000 0.962 175 D HN -0.372 7.930 8.370 -0.039 0.045 0.490 176 I N -1.646 118.923 120.570 -0.002 0.000 2.335 176 I HA -0.445 3.912 4.170 0.044 -0.161 0.251 176 I C 1.819 177.943 176.117 0.012 0.000 1.129 176 I CA 3.239 64.549 61.300 0.016 0.000 1.402 176 I CB -0.498 37.504 38.000 0.002 0.000 1.069 176 I HN 0.270 8.345 8.210 -0.023 0.121 0.424 177 Q N 0.059 119.853 119.800 -0.009 0.000 2.061 177 Q HA -0.347 3.989 4.340 -0.007 0.000 0.204 177 Q C 2.200 178.205 176.000 0.007 0.000 0.984 177 Q CA 3.124 58.923 55.803 -0.008 0.000 0.846 177 Q CB -0.845 27.879 28.738 -0.023 0.000 0.902 177 Q HN 0.015 8.242 8.270 -0.024 0.029 0.421 178 K N -0.531 119.874 120.400 0.007 0.000 2.167 178 K HA -0.180 4.144 4.320 0.007 0.000 0.203 178 K C 2.405 179.018 176.600 0.020 0.000 1.052 178 K CA 2.013 58.306 56.287 0.010 0.000 0.956 178 K CB -0.083 32.420 32.500 0.004 0.000 0.735 178 K HN -0.566 7.685 8.250 0.003 0.000 0.451 179 S N 0.999 116.722 115.700 0.038 0.000 2.345 179 S HA -0.334 4.166 4.470 0.049 0.000 0.220 179 S C 1.874 176.531 174.600 0.095 0.000 1.031 179 S CA 3.598 61.839 58.200 0.069 0.000 0.996 179 S CB 0.112 63.373 63.200 0.102 0.000 0.882 179 S HN -0.138 8.104 8.310 0.034 0.088 0.445 180 M N -1.403 118.248 119.600 0.084 0.000 2.296 180 M HA -0.125 4.429 4.480 0.124 0.000 0.265 180 M C 1.764 178.113 176.300 0.081 0.000 1.064 180 M CA 2.950 58.304 55.300 0.091 0.000 1.109 180 M CB -0.263 32.373 32.600 0.060 0.000 1.396 180 M HN 0.450 8.661 8.290 0.064 0.117 0.430 181 A N -2.001 120.852 122.820 0.053 0.000 2.066 181 A HA -0.140 4.205 4.320 0.041 0.000 0.218 181 A C 1.124 178.733 177.584 0.042 0.000 1.157 181 A CA 2.167 54.228 52.037 0.040 0.000 0.670 181 A CB -0.970 18.043 19.000 0.022 0.000 0.804 181 A HN -0.230 7.845 8.150 0.044 0.102 0.453 182 A N -0.374 122.470 122.820 0.039 0.000 1.864 182 A HA -0.016 4.308 4.320 0.006 0.000 0.213 182 A C 1.603 179.223 177.584 0.060 0.000 1.266 182 A CA 2.034 54.075 52.037 0.008 0.000 0.612 182 A CB -0.267 18.694 19.000 -0.066 0.000 0.940 182 A HN -0.687 7.337 8.150 0.045 0.152 0.463 183 F N -1.659 118.279 119.950 -0.019 0.000 2.147 183 F HA -0.407 4.115 4.527 -0.007 0.000 0.301 183 F C 2.016 177.844 175.800 0.047 0.000 1.084 183 F CA 3.347 61.332 58.000 -0.025 0.000 1.268 183 F CB -0.256 38.658 39.000 -0.143 0.000 1.009 183 F HN -0.545 7.811 8.300 0.093 0.000 0.486 184 K N -1.864 118.678 120.400 0.236 0.000 2.031 184 K HA -0.418 3.996 4.320 0.157 0.000 0.205 184 K C 1.613 178.279 176.600 0.111 0.000 1.049 184 K CA 3.293 59.669 56.287 0.149 0.000 0.939 184 K CB -0.172 32.385 32.500 0.096 0.000 0.717 184 K HN -0.474 7.881 8.250 0.206 0.019 0.438 185 N N 0.368 119.118 118.700 0.083 0.000 2.334 185 N HA -0.324 4.434 4.740 0.030 0.000 0.187 185 N C 2.302 177.830 175.510 0.029 0.000 1.016 185 N CA 2.927 56.003 53.050 0.044 0.000 0.879 185 N CB -0.081 38.423 38.487 0.029 0.000 0.965 185 N HN -0.682 7.682 8.380 0.087 0.069 0.438 186 L N -1.441 119.827 121.223 0.076 0.000 1.976 186 L HA -0.301 4.021 4.340 -0.030 0.000 0.209 186 L C 2.255 179.032 176.870 -0.155 0.000 1.071 186 L CA 3.564 58.414 54.840 0.016 0.000 0.746 186 L CB -0.391 41.841 42.059 0.288 0.000 0.890 186 L HN -0.432 7.831 8.230 0.138 0.049 0.432 187 S N -2.152 113.538 115.700 -0.017 0.000 2.406 187 S HA -0.339 4.025 4.470 -0.177 0.000 0.228 187 S C 1.700 176.273 174.600 -0.045 0.000 1.020 187 S CA 2.812 60.987 58.200 -0.042 0.000 0.965 187 S CB -0.289 62.969 63.200 0.097 0.000 0.798 187 S HN -0.471 7.911 8.310 0.120 0.000 0.488 188 A N 0.438 123.250 122.820 -0.014 0.000 2.015 188 A HA -0.187 4.127 4.320 -0.009 0.000 0.219 188 A C 1.913 179.477 177.584 -0.033 0.000 1.163 188 A CA 2.639 54.669 52.037 -0.013 0.000 0.646 188 A CB -0.658 18.345 19.000 0.005 0.000 0.806 188 A HN -0.320 7.837 8.150 0.011 0.000 0.448 189 Q N -1.991 117.777 119.800 -0.053 0.000 2.123 189 Q HA -0.214 4.104 4.340 -0.038 0.000 0.196 189 Q C 2.095 178.049 176.000 -0.076 0.000 0.958 189 Q CA 2.541 58.309 55.803 -0.057 0.000 0.841 189 Q CB 0.353 29.057 28.738 -0.057 0.000 0.915 189 Q HN -0.440 7.767 8.270 -0.062 0.027 0.455 190 C N -0.079 119.146 119.300 -0.125 0.000 2.391 190 C HA -0.506 3.881 4.460 -0.122 0.000 0.276 190 C C 1.948 176.890 174.990 -0.080 0.000 1.217 190 C CA 6.154 65.094 59.018 -0.130 0.000 1.766 190 C CB -0.346 27.275 27.740 -0.197 0.000 2.046 190 C HN -0.392 7.741 8.230 -0.162 0.000 0.475 191 Q N -3.314 116.448 119.800 -0.064 0.000 2.297 191 Q HA -0.251 4.061 4.340 -0.047 0.000 0.204 191 Q C 1.816 177.794 176.000 -0.036 0.000 0.962 191 Q CA 2.865 58.642 55.803 -0.044 0.000 0.879 191 Q CB -0.066 28.652 28.738 -0.033 0.000 0.947 191 Q HN -0.475 7.745 8.270 -0.067 0.010 0.462 192 E N 0.238 120.417 120.200 -0.035 0.000 2.276 192 E HA -0.106 4.231 4.350 -0.022 0.000 0.193 192 E C 1.974 178.558 176.600 -0.026 0.000 0.983 192 E CA 1.814 58.199 56.400 -0.026 0.000 0.861 192 E CB -0.414 29.273 29.700 -0.022 0.000 0.817 192 E HN -0.268 7.896 8.360 -0.042 0.171 0.485 193 V N 0.606 120.500 119.914 -0.033 0.000 2.287 193 V HA -0.411 3.696 4.120 -0.022 0.000 0.248 193 V C 2.334 178.414 176.094 -0.024 0.000 1.053 193 V CA 3.336 65.619 62.300 -0.028 0.000 1.027 193 V CB -0.903 30.899 31.823 -0.035 0.000 0.646 193 V HN 0.649 8.617 8.190 -0.042 0.197 0.447 194 R N -0.466 120.016 120.500 -0.029 0.000 2.094 194 R HA -0.263 4.063 4.340 -0.024 0.000 0.239 194 R C 1.433 177.721 176.300 -0.021 0.000 1.137 194 R CA 2.462 58.547 56.100 -0.026 0.000 0.943 194 R CB -0.532 29.749 30.300 -0.032 0.000 0.850 194 R HN -0.614 7.634 8.270 -0.036 0.000 0.433 195 K N -3.560 116.828 120.400 -0.020 0.000 2.486 195 K HA -0.068 4.243 4.320 -0.015 0.000 0.194 195 K C 0.475 177.067 176.600 -0.013 0.000 1.033 195 K CA 0.203 56.481 56.287 -0.016 0.000 1.004 195 K CB 0.044 32.534 32.500 -0.016 0.000 0.798 195 K HN -0.260 7.976 8.250 -0.023 0.000 0.495 196 R N 3.148 123.640 120.500 -0.014 0.000 2.976 196 R HA -0.315 4.019 4.340 -0.010 0.000 0.354 196 R C -0.279 176.016 176.300 -0.008 0.000 0.794 196 R CA 1.611 57.704 56.100 -0.011 0.000 1.085 196 R CB -0.913 29.380 30.300 -0.011 0.000 0.896 196 R HN -0.346 7.705 8.270 -0.017 0.208 0.393 197 K N 1.440 121.835 120.400 -0.007 0.000 3.500 197 K HA -0.322 3.995 4.320 -0.005 0.000 0.313 197 K C -0.471 176.125 176.600 -0.006 0.000 1.338 197 K CA 1.987 58.271 56.287 -0.006 0.000 0.963 197 K CB -1.000 31.497 32.500 -0.005 0.000 1.267 197 K HN 0.136 8.381 8.250 -0.008 0.000 0.448 198 E N -0.986 119.209 120.200 -0.008 0.000 2.166 198 E HA -0.046 4.299 4.350 -0.008 0.000 0.192 198 E C 0.952 177.547 176.600 -0.008 0.000 0.967 198 E CA 2.042 58.437 56.400 -0.008 0.000 0.840 198 E CB 0.355 30.049 29.700 -0.010 0.000 0.795 198 E HN 0.197 8.338 8.360 -0.009 0.214 0.470 199 L N 0.413 121.631 121.223 -0.008 0.000 2.313 199 L HA -0.082 4.254 4.340 -0.008 0.000 0.214 199 L C 1.575 178.442 176.870 -0.006 0.000 1.119 199 L CA 1.150 55.985 54.840 -0.008 0.000 0.809 199 L CB -0.104 41.950 42.059 -0.008 0.000 0.933 199 L HN -0.532 7.693 8.230 -0.009 0.000 0.449 200 E N -1.146 119.050 120.200 -0.006 0.000 2.038 200 E HA -0.306 4.041 4.350 -0.004 0.000 0.195 200 E C 0.324 176.922 176.600 -0.004 0.000 1.000 200 E CA 1.541 57.938 56.400 -0.005 0.000 0.803 200 E CB -0.181 29.516 29.700 -0.004 0.000 0.750 200 E HN -0.068 8.251 8.360 -0.006 0.037 0.448 201 L N -1.521 119.699 121.223 -0.004 0.000 3.965 201 L HA -0.308 4.030 4.340 -0.004 0.000 0.476 201 L C -0.640 176.228 176.870 -0.003 0.000 1.201 201 L CA 1.001 55.839 54.840 -0.004 0.000 0.710 201 L CB -0.812 41.245 42.059 -0.005 0.000 1.509 201 L HN 0.195 8.423 8.230 -0.005 0.000 0.815 202 Q N -0.226 119.572 119.800 -0.003 0.000 2.631 202 Q HA -0.020 4.318 4.340 -0.003 0.000 0.220 202 Q C 0.801 176.799 176.000 -0.002 0.000 0.819 202 Q CA 0.993 56.794 55.803 -0.003 0.000 0.914 202 Q CB 1.008 29.744 28.738 -0.002 0.000 1.248 202 Q HN 0.106 8.374 8.270 -0.003 0.000 0.629 203 I N -1.049 119.520 120.570 -0.002 0.000 3.427 203 I HA -0.105 4.064 4.170 -0.002 0.000 0.288 203 I C -0.309 175.806 176.117 -0.002 0.000 1.249 203 I CA 0.588 61.887 61.300 -0.002 0.000 1.421 203 I CB 0.697 38.696 38.000 -0.002 0.000 1.086 203 I HN -0.140 8.069 8.210 -0.002 0.000 0.448 204 L N -0.031 121.191 121.223 -0.002 0.000 2.483 204 L HA -0.146 4.193 4.340 -0.002 0.000 0.276 204 L C -0.097 176.771 176.870 -0.003 0.000 1.213 204 L CA 1.610 56.449 54.840 -0.003 0.000 0.843 204 L CB 0.403 42.460 42.059 -0.003 0.000 1.107 204 L HN -0.546 7.645 8.230 -0.003 0.038 0.487 205 T N 0.643 115.196 114.554 -0.003 0.000 4.341 205 T HA 0.096 4.444 4.350 -0.003 0.000 0.215 205 T C -1.049 173.650 174.700 -0.003 0.000 0.947 205 T CA -0.545 61.553 62.100 -0.002 0.000 1.470 205 T CB 0.186 69.053 68.868 -0.002 0.000 0.786 205 T HN -0.081 8.158 8.240 -0.003 0.000 0.603 206 E N 1.218 121.417 120.200 -0.003 0.000 2.461 206 E HA -0.065 4.283 4.350 -0.003 0.000 0.263 206 E C -0.096 176.502 176.600 -0.003 0.000 1.143 206 E CA 0.181 56.579 56.400 -0.003 0.000 0.994 206 E CB 0.773 30.471 29.700 -0.004 0.000 0.973 206 E HN -0.353 8.005 8.360 -0.003 0.000 0.457 207 A N 2.455 125.273 122.820 -0.003 0.000 3.003 207 A HA 0.105 4.424 4.320 -0.003 0.000 0.301 207 A C -0.617 176.966 177.584 -0.003 0.000 1.280 207 A CA -0.468 51.567 52.037 -0.003 0.000 0.973 207 A CB -0.506 18.493 19.000 -0.002 0.000 1.110 207 A HN 0.078 8.226 8.150 -0.003 0.000 0.590 208 I N -4.192 116.376 120.570 -0.003 0.000 2.872 208 I HA -0.112 4.056 4.170 -0.004 0.000 0.291 208 I C -0.139 175.976 176.117 -0.003 0.000 1.216 208 I CA 0.087 61.384 61.300 -0.004 0.000 1.424 208 I CB 0.851 38.849 38.000 -0.004 0.000 1.351 208 I HN -0.437 7.693 8.210 -0.003 0.077 0.592 209 R N 0.000 120.498 120.500 -0.004 0.000 2.786 209 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 209 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 209 R CB 0.000 30.298 30.300 -0.003 0.000 0.687 209 R HN 0.000 8.268 8.270 -0.004 0.000 0.535