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 3lsa_1_A DATA FIRST_RESID 2 DATA SEQUENCE SVIKPDMKIK LRMEGAVNGH PFAIEGVGLG KPFEGKQSMD LKVKEGGPLP DATA SEQUENCE FAYDILTMAF XXXNRVFAKY PENIVDYFKQ SFPEGYSWER SMIYEDGGIC DATA SEQUENCE NATNDITLDG DCYICEIRFD GVNFPANGPV MQKRTVKWEL STEKLYVRDG DATA SEQUENCE VLKSDGNYAL SLEGGGHYRC DFKTTYKAKK VVQLPDYHSV DHHIEIISHD DATA SEQUENCE KDYSNVNLHE HAEAHS 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 2 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 2 S C 0.000 174.632 174.600 0.054 0.000 1.055 2 S CA 0.000 58.234 58.200 0.057 0.000 1.107 2 S CB 0.000 63.249 63.200 0.082 0.000 0.593 3 V N -1.887 118.064 119.914 0.061 0.000 3.661 3 V HA 0.463 4.574 4.120 -0.014 0.000 0.271 3 V C 0.124 176.222 176.094 0.007 0.000 1.315 3 V CA 0.204 62.523 62.300 0.032 0.000 1.072 3 V CB -0.205 31.642 31.823 0.040 0.000 0.830 3 V HN 0.715 8.905 8.190 -0.000 0.000 0.443 4 I N 3.317 123.924 120.570 0.061 0.000 2.308 4 I HA 0.452 4.613 4.170 -0.014 0.000 0.293 4 I C 0.207 176.434 176.117 0.183 0.000 1.078 4 I CA -0.148 61.182 61.300 0.050 0.000 1.292 4 I CB 0.417 38.424 38.000 0.011 0.000 1.423 4 I HN 0.258 8.468 8.210 -0.000 0.000 0.493 5 K N 8.029 128.498 120.400 0.116 0.000 2.087 5 K HA 0.391 4.702 4.320 -0.014 0.000 0.255 5 K C -1.679 175.081 176.600 0.266 0.000 0.988 5 K CA -1.752 54.636 56.287 0.168 0.000 0.915 5 K CB 0.784 33.331 32.500 0.078 0.000 1.043 5 K HN 0.111 8.361 8.250 -0.000 0.000 0.457 6 P HA -0.061 4.359 4.420 -0.000 0.000 0.221 6 P C -0.548 176.890 177.300 0.230 0.000 1.150 6 P CA 1.278 64.569 63.100 0.318 0.000 0.800 6 P CB 0.392 32.206 31.700 0.189 0.000 0.787 7 D N -0.386 120.115 120.400 0.168 0.000 2.492 7 D HA 0.399 5.030 4.640 -0.014 0.000 0.248 7 D C -0.254 176.133 176.300 0.145 0.000 1.101 7 D CA -0.188 53.905 54.000 0.154 0.000 0.840 7 D CB 1.863 42.728 40.800 0.109 0.000 1.209 7 D HN -0.063 8.307 8.370 -0.000 0.000 0.524 8 M N 1.201 120.929 119.600 0.213 0.000 2.761 8 M HA 0.381 4.852 4.480 -0.014 0.000 0.305 8 M C -0.461 175.970 176.300 0.218 0.000 1.235 8 M CA -0.384 55.039 55.300 0.206 0.000 0.850 8 M CB 2.679 35.475 32.600 0.327 0.000 1.744 8 M HN -0.016 8.274 8.290 -0.000 0.000 0.480 9 K N 0.787 121.284 120.400 0.162 0.000 2.306 9 K HA 0.823 5.135 4.320 -0.014 0.000 0.236 9 K C -1.463 175.266 176.600 0.215 0.000 1.013 9 K CA -0.634 55.737 56.287 0.141 0.000 0.857 9 K CB 1.964 34.505 32.500 0.068 0.000 1.214 9 K HN 0.493 8.743 8.250 -0.000 0.000 0.449 10 I N 1.193 121.860 120.570 0.162 0.000 2.569 10 I HA 0.340 4.502 4.170 -0.014 0.000 0.290 10 I C -1.020 175.171 176.117 0.123 0.000 1.088 10 I CA -0.764 60.653 61.300 0.195 0.000 1.047 10 I CB 2.111 40.206 38.000 0.157 0.000 1.237 10 I HN 0.285 8.495 8.210 -0.000 0.000 0.421 11 K N 6.503 126.983 120.400 0.134 0.000 2.426 11 K HA 0.750 5.061 4.320 -0.014 0.000 0.254 11 K C -1.561 175.108 176.600 0.115 0.000 0.936 11 K CA -0.731 55.615 56.287 0.097 0.000 0.801 11 K CB 2.651 35.196 32.500 0.076 0.000 1.139 11 K HN 0.451 8.701 8.250 -0.000 0.000 0.424 12 L N -0.359 120.928 121.223 0.106 0.000 2.424 12 L HA 0.692 5.023 4.340 -0.014 0.000 0.258 12 L C -1.188 175.756 176.870 0.123 0.000 0.995 12 L CA -0.810 54.109 54.840 0.131 0.000 0.821 12 L CB 2.061 44.236 42.059 0.193 0.000 1.383 12 L HN 0.596 8.826 8.230 -0.000 0.000 0.410 13 R N 2.661 123.237 120.500 0.128 0.000 2.574 13 R HA 0.729 5.061 4.340 -0.014 0.000 0.288 13 R C -1.683 174.700 176.300 0.138 0.000 1.004 13 R CA -0.688 55.487 56.100 0.125 0.000 0.895 13 R CB 1.790 32.134 30.300 0.072 0.000 1.191 13 R HN 1.016 9.286 8.270 -0.000 0.000 0.444 14 M N 3.712 123.428 119.600 0.193 0.000 2.294 14 M HA 0.398 4.870 4.480 -0.014 0.000 0.335 14 M C -1.292 175.006 176.300 -0.003 0.000 1.079 14 M CA -0.252 55.125 55.300 0.127 0.000 0.982 14 M CB 1.660 34.402 32.600 0.237 0.000 1.651 14 M HN 0.628 8.918 8.290 -0.000 0.000 0.437 15 E N 2.936 123.077 120.200 -0.099 0.000 2.199 15 E HA 0.789 5.130 4.350 -0.014 0.000 0.269 15 E C -0.521 175.875 176.600 -0.341 0.000 0.899 15 E CA -0.769 55.496 56.400 -0.225 0.000 0.772 15 E CB 2.393 32.014 29.700 -0.131 0.000 1.155 15 E HN 0.942 9.302 8.360 -0.000 0.000 0.408 16 G N 0.616 109.024 108.800 -0.653 0.000 2.561 16 G HA2 0.719 4.670 3.960 -0.014 0.000 0.310 16 G HA3 0.719 4.670 3.960 -0.014 0.000 0.310 16 G C -1.780 172.883 174.900 -0.394 0.000 1.292 16 G CA -0.148 44.644 45.100 -0.512 0.000 0.811 16 G HN 0.601 8.891 8.290 -0.000 0.000 0.482 17 A N -1.453 121.396 122.820 0.048 0.000 2.594 17 A HA 0.790 5.101 4.320 -0.014 0.000 0.295 17 A C -1.686 176.126 177.584 0.380 0.000 1.071 17 A CA -0.485 51.719 52.037 0.277 0.000 0.685 17 A CB 1.901 20.975 19.000 0.123 0.000 1.285 17 A HN 1.603 9.753 8.150 -0.000 0.000 0.405 18 V N 2.248 122.366 119.914 0.339 0.000 2.577 18 V HA 0.390 4.501 4.120 -0.014 0.000 0.303 18 V C -0.161 176.032 176.094 0.164 0.000 1.042 18 V CA -0.631 61.731 62.300 0.103 0.000 0.872 18 V CB 1.472 32.987 31.823 -0.512 0.000 0.998 18 V HN 1.002 9.192 8.190 -0.000 0.000 0.423 19 N N 3.718 122.515 118.700 0.163 0.000 2.710 19 N HA -0.217 4.514 4.740 -0.014 0.000 0.249 19 N C 1.160 176.758 175.510 0.146 0.000 1.059 19 N CA 1.867 55.004 53.050 0.145 0.000 0.720 19 N CB -1.057 37.515 38.487 0.141 0.000 0.983 19 N HN 1.601 9.981 8.380 -0.000 0.000 0.544 20 G N -1.236 107.652 108.800 0.147 0.000 2.159 20 G HA2 -0.357 3.595 3.960 -0.014 0.000 0.256 20 G HA3 -0.357 3.595 3.960 -0.014 0.000 0.256 20 G C -0.255 174.749 174.900 0.174 0.000 0.977 20 G CA 0.518 45.695 45.100 0.128 0.000 0.652 20 G HN 0.877 9.167 8.290 -0.000 0.000 0.531 21 H N 1.548 120.704 119.070 0.143 0.000 2.640 21 H HA 0.524 5.071 4.556 -0.014 0.000 0.297 21 H C -2.595 172.897 175.328 0.272 0.000 1.073 21 H CA -1.461 54.697 56.048 0.184 0.000 1.305 21 H CB 1.806 31.689 29.762 0.201 0.000 1.404 21 H HN 0.193 8.473 8.280 -0.000 0.000 0.459 22 P HA 0.201 4.621 4.420 -0.000 0.000 0.277 22 P C -0.984 176.306 177.300 -0.016 0.000 1.240 22 P CA -0.163 62.902 63.100 -0.060 0.000 0.798 22 P CB 0.681 32.333 31.700 -0.081 0.000 0.979 23 F N -1.126 118.822 119.950 -0.003 0.000 2.711 23 F HA 0.885 5.404 4.527 -0.014 0.000 0.313 23 F C -1.829 174.025 175.800 0.090 0.000 1.141 23 F CA -1.531 56.511 58.000 0.069 0.000 0.941 23 F CB 0.989 40.122 39.000 0.222 0.000 1.349 23 F HN 0.468 8.768 8.300 -0.000 0.000 0.464 24 A N 1.879 124.819 122.820 0.201 0.000 2.488 24 A HA 0.840 5.152 4.320 -0.014 0.000 0.298 24 A C -1.714 176.027 177.584 0.260 0.000 1.044 24 A CA -0.665 51.434 52.037 0.104 0.000 0.693 24 A CB 1.337 20.360 19.000 0.040 0.000 1.272 24 A HN 0.819 8.969 8.150 -0.000 0.000 0.402 25 I N 1.186 121.920 120.570 0.273 0.000 2.582 25 I HA 0.422 4.583 4.170 -0.014 0.000 0.292 25 I C -0.365 175.875 176.117 0.204 0.000 1.066 25 I CA -0.284 61.190 61.300 0.291 0.000 1.053 25 I CB 2.489 40.765 38.000 0.460 0.000 1.241 25 I HN 0.741 8.951 8.210 -0.000 0.000 0.421 26 E N 2.852 123.124 120.200 0.121 0.000 2.244 26 E HA 0.744 5.085 4.350 -0.014 0.000 0.266 26 E C -0.585 176.024 176.600 0.015 0.000 0.914 26 E CA -0.818 55.628 56.400 0.078 0.000 0.794 26 E CB 2.738 32.476 29.700 0.063 0.000 1.210 26 E HN 0.761 9.121 8.360 -0.000 0.000 0.414 27 G N 0.275 109.080 108.800 0.009 0.000 2.659 27 G HA2 0.536 4.487 3.960 -0.014 0.000 0.296 27 G HA3 0.536 4.487 3.960 -0.014 0.000 0.296 27 G C -1.698 173.206 174.900 0.006 0.000 1.369 27 G CA -0.438 44.641 45.100 -0.035 0.000 0.937 27 G HN 0.333 8.623 8.290 -0.000 0.000 0.485 28 V N 0.648 120.559 119.914 -0.004 0.000 2.686 28 V HA 0.965 5.076 4.120 -0.014 0.000 0.306 28 V C 0.106 176.203 176.094 0.004 0.000 1.065 28 V CA 0.533 62.842 62.300 0.014 0.000 0.894 28 V CB 1.613 33.445 31.823 0.015 0.000 1.004 28 V HN 1.509 9.699 8.190 -0.000 0.000 0.424 29 G N 4.884 113.693 108.800 0.015 0.000 2.727 29 G HA2 0.756 4.707 3.960 -0.014 0.000 0.289 29 G HA3 0.756 4.707 3.960 -0.014 0.000 0.289 29 G C -2.336 172.566 174.900 0.003 0.000 1.418 29 G CA -0.766 44.331 45.100 -0.006 0.000 0.818 29 G HN 0.763 9.053 8.290 -0.000 0.000 0.486 30 L N -0.353 120.853 121.223 -0.029 0.000 2.431 30 L HA 0.842 5.173 4.340 -0.014 0.000 0.266 30 L C 0.429 177.249 176.870 -0.084 0.000 0.978 30 L CA -0.050 54.787 54.840 -0.005 0.000 0.822 30 L CB 2.437 44.508 42.059 0.021 0.000 1.310 30 L HN 1.019 9.249 8.230 -0.000 0.000 0.409 31 G N 1.189 109.975 108.800 -0.024 0.000 2.695 31 G HA2 0.677 4.629 3.960 -0.014 0.000 0.290 31 G HA3 0.677 4.629 3.960 -0.014 0.000 0.290 31 G C -1.572 173.508 174.900 0.301 0.000 1.410 31 G CA -0.662 44.388 45.100 -0.083 0.000 0.844 31 G HN 0.355 8.645 8.290 -0.000 0.000 0.478 32 K N 1.776 122.378 120.400 0.337 0.000 2.579 32 K HA 0.292 4.604 4.320 -0.014 0.000 0.225 32 K C -2.049 174.745 176.600 0.323 0.000 0.992 32 K CA -1.613 54.860 56.287 0.311 0.000 1.018 32 K CB 3.005 35.629 32.500 0.206 0.000 1.249 32 K HN 0.099 8.349 8.250 -0.000 0.000 0.489 33 P HA -0.131 4.289 4.420 -0.000 0.000 0.218 33 P C 0.431 177.575 177.300 -0.260 0.000 1.148 33 P CA 1.165 64.124 63.100 -0.236 0.000 0.822 33 P CB 0.141 31.473 31.700 -0.613 0.000 0.784 34 F N -0.889 119.118 119.950 0.095 0.000 2.512 34 F HA 0.039 4.557 4.527 -0.015 0.000 0.296 34 F C 2.275 178.134 175.800 0.099 0.000 1.110 34 F CA 0.739 58.790 58.000 0.085 0.000 1.446 34 F CB -0.421 38.617 39.000 0.065 0.000 1.092 34 F HN -0.046 8.254 8.300 -0.000 0.000 0.554 35 E N 0.114 120.466 120.200 0.254 0.000 2.400 35 E HA 0.147 4.489 4.350 -0.014 0.000 0.195 35 E C 1.456 178.182 176.600 0.209 0.000 1.012 35 E CA 0.599 57.117 56.400 0.197 0.000 0.875 35 E CB 0.084 29.875 29.700 0.151 0.000 0.859 35 E HN 0.248 8.608 8.360 -0.000 0.000 0.498 36 G N 1.708 110.634 108.800 0.211 0.000 2.225 36 G HA2 -0.293 3.659 3.960 -0.014 0.000 0.264 36 G HA3 -0.293 3.659 3.960 -0.014 0.000 0.264 36 G C -0.387 174.682 174.900 0.281 0.000 1.060 36 G CA 0.693 45.929 45.100 0.227 0.000 0.833 36 G HN 0.194 8.484 8.290 -0.000 0.000 0.498 37 K N -0.213 120.310 120.400 0.205 0.000 2.422 37 K HA 0.650 4.961 4.320 -0.014 0.000 0.251 37 K C 0.014 176.586 176.600 -0.047 0.000 0.933 37 K CA -0.807 55.522 56.287 0.071 0.000 0.798 37 K CB 1.985 34.534 32.500 0.081 0.000 1.238 37 K HN 0.557 8.807 8.250 -0.000 0.000 0.428 38 Q N -0.401 119.260 119.800 -0.231 0.000 2.462 38 Q HA 0.617 4.948 4.340 -0.014 0.000 0.285 38 Q C -1.448 174.456 176.000 -0.160 0.000 1.035 38 Q CA -1.048 54.553 55.803 -0.337 0.000 0.799 38 Q CB 2.130 30.432 28.738 -0.725 0.000 1.452 38 Q HN 0.583 8.853 8.270 -0.000 0.000 0.404 39 S N 1.445 117.104 115.700 -0.069 0.000 2.541 39 S HA 0.861 5.323 4.470 -0.014 0.000 0.280 39 S C -0.446 174.141 174.600 -0.021 0.000 1.112 39 S CA -0.862 57.364 58.200 0.044 0.000 0.925 39 S CB 1.445 64.722 63.200 0.128 0.000 1.067 39 S HN 0.828 9.138 8.310 -0.000 0.000 0.479 40 M N 0.342 119.938 119.600 -0.006 0.000 2.520 40 M HA 0.686 5.158 4.480 -0.014 0.000 0.283 40 M C -2.238 174.042 176.300 -0.032 0.000 1.237 40 M CA -0.665 54.618 55.300 -0.027 0.000 0.885 40 M CB 2.035 34.609 32.600 -0.043 0.000 1.727 40 M HN 0.316 8.606 8.290 -0.000 0.000 0.468 41 D N 2.965 123.340 120.400 -0.041 0.000 2.233 41 D HA 0.675 5.307 4.640 -0.014 0.000 0.240 41 D C -1.174 175.080 176.300 -0.076 0.000 1.074 41 D CA -0.020 53.950 54.000 -0.050 0.000 0.838 41 D CB 1.970 42.750 40.800 -0.034 0.000 1.124 41 D HN 0.564 8.934 8.370 -0.000 0.000 0.475 42 L N 2.006 123.171 121.223 -0.096 0.000 2.346 42 L HA 0.474 4.806 4.340 -0.014 0.000 0.276 42 L C 0.151 177.002 176.870 -0.031 0.000 1.006 42 L CA -0.688 54.080 54.840 -0.119 0.000 0.817 42 L CB 1.898 43.820 42.059 -0.229 0.000 1.272 42 L HN 0.032 8.262 8.230 -0.000 0.000 0.421 43 K N 2.235 122.640 120.400 0.008 0.000 2.426 43 K HA 0.508 4.820 4.320 -0.014 0.000 0.254 43 K C -1.282 175.380 176.600 0.104 0.000 0.936 43 K CA -0.661 55.654 56.287 0.046 0.000 0.801 43 K CB 2.093 34.609 32.500 0.028 0.000 1.139 43 K HN 0.313 8.563 8.250 -0.000 0.000 0.424 44 V N 5.829 125.824 119.914 0.134 0.000 2.479 44 V HA 0.056 4.167 4.120 -0.014 0.000 0.281 44 V C 0.813 176.985 176.094 0.130 0.000 1.031 44 V CA 0.104 62.508 62.300 0.174 0.000 1.038 44 V CB 1.102 33.031 31.823 0.176 0.000 0.981 44 V HN 0.784 8.974 8.190 -0.000 0.000 0.478 45 K N 3.097 123.581 120.400 0.139 0.000 2.335 45 K HA 0.311 4.622 4.320 -0.014 0.000 0.195 45 K C 0.328 176.986 176.600 0.097 0.000 1.058 45 K CA 0.438 56.784 56.287 0.099 0.000 0.988 45 K CB 0.781 33.331 32.500 0.084 0.000 0.880 45 K HN 0.716 8.966 8.250 -0.000 0.000 0.513 46 E N -1.051 119.226 120.200 0.129 0.000 2.356 46 E HA 0.442 4.783 4.350 -0.014 0.000 0.275 46 E C -0.365 176.338 176.600 0.172 0.000 0.904 46 E CA -0.284 56.184 56.400 0.114 0.000 0.757 46 E CB 2.153 31.899 29.700 0.076 0.000 1.232 46 E HN 0.164 8.524 8.360 -0.000 0.000 0.442 47 G N 1.361 110.242 108.800 0.135 0.000 2.143 47 G HA2 -0.223 3.728 3.960 -0.014 0.000 0.249 47 G HA3 -0.223 3.728 3.960 -0.014 0.000 0.249 47 G C 0.408 175.461 174.900 0.255 0.000 0.981 47 G CA -0.134 45.069 45.100 0.172 0.000 0.665 47 G HN 0.731 9.021 8.290 -0.000 0.000 0.528 48 G N 0.141 109.039 108.800 0.164 0.000 2.476 48 G HA2 0.689 4.640 3.960 -0.014 0.000 0.286 48 G HA3 0.689 4.640 3.960 -0.014 0.000 0.286 48 G C -1.213 173.738 174.900 0.085 0.000 1.177 48 G CA -0.440 44.724 45.100 0.107 0.000 0.870 48 G HN 0.338 8.628 8.290 -0.000 0.000 0.528 49 P HA 0.242 4.662 4.420 -0.000 0.000 0.276 49 P C -0.018 177.237 177.300 -0.074 0.000 1.230 49 P CA -0.445 62.654 63.100 -0.002 0.000 0.776 49 P CB 1.075 32.769 31.700 -0.011 0.000 0.888 50 L N 5.259 126.377 121.223 -0.175 0.000 2.559 50 L HA 0.037 4.369 4.340 -0.014 0.000 0.274 50 L C -1.113 175.437 176.870 -0.532 0.000 1.205 50 L CA -1.051 53.502 54.840 -0.478 0.000 0.907 50 L CB -0.047 41.478 42.059 -0.890 0.000 1.153 50 L HN 0.327 8.557 8.230 -0.000 0.000 0.490 51 P HA 0.073 4.493 4.420 -0.000 0.000 0.256 51 P C -0.703 176.461 177.300 -0.226 0.000 1.384 51 P CA 0.217 63.126 63.100 -0.317 0.000 0.879 51 P CB -0.196 31.328 31.700 -0.292 0.000 1.403 52 F N -2.530 117.241 119.950 -0.299 0.000 2.643 52 F HA 0.805 5.324 4.527 -0.013 0.000 0.314 52 F C -0.616 174.974 175.800 -0.351 0.000 1.096 52 F CA -2.436 55.363 58.000 -0.334 0.000 0.953 52 F CB 0.427 39.196 39.000 -0.385 0.000 1.345 52 F HN -0.219 8.081 8.300 -0.000 0.000 0.468 53 A N 1.314 124.060 122.820 -0.124 0.000 2.522 53 A HA 0.110 4.421 4.320 -0.014 0.000 0.256 53 A C 0.337 177.844 177.584 -0.127 0.000 1.086 53 A CA -0.129 51.778 52.037 -0.215 0.000 0.763 53 A CB -0.832 18.050 19.000 -0.197 0.000 1.024 53 A HN 0.974 9.124 8.150 -0.000 0.000 0.502 54 Y N 1.828 121.856 120.300 -0.454 0.000 2.315 54 Y HA -0.227 4.316 4.550 -0.012 0.000 0.288 54 Y C 1.617 177.502 175.900 -0.024 0.000 1.154 54 Y CA 2.372 60.301 58.100 -0.285 0.000 1.229 54 Y CB 0.171 38.365 38.460 -0.442 0.000 0.980 54 Y HN 0.796 9.076 8.280 -0.000 0.000 0.540 55 D N 0.389 120.860 120.400 0.118 0.000 2.228 55 D HA -0.226 4.406 4.640 -0.014 0.000 0.203 55 D C 2.074 178.650 176.300 0.460 0.000 0.988 55 D CA 1.804 55.958 54.000 0.256 0.000 0.864 55 D CB -0.508 40.284 40.800 -0.014 0.000 0.928 55 D HN 0.687 9.057 8.370 -0.000 0.000 0.469 56 I N -2.283 118.452 120.570 0.274 0.000 2.916 56 I HA -0.107 4.054 4.170 -0.014 0.000 0.267 56 I C 1.711 177.968 176.117 0.233 0.000 1.263 56 I CA 0.846 62.386 61.300 0.401 0.000 1.471 56 I CB -0.228 37.868 38.000 0.160 0.000 1.089 56 I HN -0.102 8.108 8.210 -0.000 0.000 0.468 57 L N 1.044 122.237 121.223 -0.049 0.000 2.513 57 L HA 0.053 4.385 4.340 -0.014 0.000 0.222 57 L C 2.686 179.463 176.870 -0.155 0.000 1.096 57 L CA 0.931 55.533 54.840 -0.396 0.000 0.857 57 L CB -0.626 41.050 42.059 -0.639 0.000 1.026 57 L HN 0.366 8.596 8.230 -0.000 0.000 0.469 58 T N -2.570 112.111 114.554 0.212 0.000 2.821 58 T HA -0.146 4.195 4.350 -0.014 0.000 0.267 58 T C 1.716 176.539 174.700 0.204 0.000 1.046 58 T CA 1.031 63.345 62.100 0.356 0.000 1.139 58 T CB -0.240 68.890 68.868 0.436 0.000 0.871 58 T HN 0.192 8.432 8.240 -0.000 0.000 0.454 59 M N 0.873 120.527 119.600 0.090 0.000 2.619 59 M HA 0.331 4.803 4.480 -0.014 0.000 0.251 59 M C 2.626 178.977 176.300 0.084 0.000 1.106 59 M CA 0.689 55.987 55.300 -0.004 0.000 1.086 59 M CB -0.213 32.306 32.600 -0.136 0.000 1.465 59 M HN 0.466 8.756 8.290 -0.000 0.000 0.506 60 A N 0.409 123.299 122.820 0.117 0.000 1.930 60 A HA 0.075 4.387 4.320 -0.014 0.000 0.215 60 A C 0.933 178.647 177.584 0.216 0.000 1.176 60 A CA 0.615 52.796 52.037 0.240 0.000 0.632 60 A CB -0.390 18.705 19.000 0.158 0.000 0.819 60 A HN 0.315 8.465 8.150 -0.000 0.000 0.445 66 R N 2.035 122.492 120.500 -0.072 0.000 2.323 66 R HA 0.194 4.526 4.340 -0.014 0.000 0.198 66 R C 1.432 177.472 176.300 -0.433 0.000 0.988 66 R CA 0.503 56.277 56.100 -0.544 0.000 1.041 66 R CB -0.352 28.982 30.300 -1.610 0.000 0.926 66 R HN 0.435 8.705 8.270 -0.000 0.000 0.476 67 V N -0.012 119.754 119.914 -0.246 0.000 2.594 67 V HA -0.116 3.996 4.120 -0.014 0.000 0.253 67 V C 0.116 175.907 176.094 -0.506 0.000 1.069 67 V CA 1.247 63.347 62.300 -0.334 0.000 1.082 67 V CB -0.273 31.260 31.823 -0.483 0.000 0.680 67 V HN 0.174 8.364 8.190 -0.000 0.000 0.469 68 F N 1.341 121.206 119.950 -0.142 0.000 2.660 68 F HA 0.640 5.159 4.527 -0.013 0.000 0.342 68 F C 0.389 176.156 175.800 -0.055 0.000 1.195 68 F CA 0.321 58.268 58.000 -0.089 0.000 1.300 68 F CB -0.296 38.664 39.000 -0.067 0.000 1.616 68 F HN 0.123 8.423 8.300 -0.000 0.000 0.592 69 A N 1.357 124.211 122.820 0.057 0.000 2.455 69 A HA 0.504 4.816 4.320 -0.014 0.000 0.300 69 A C -0.673 176.948 177.584 0.062 0.000 1.040 69 A CA -1.043 51.002 52.037 0.014 0.000 0.697 69 A CB 1.163 20.134 19.000 -0.049 0.000 1.265 69 A HN 0.287 8.437 8.150 -0.000 0.000 0.407 70 K N 2.467 122.859 120.400 -0.014 0.000 2.338 70 K HA 0.347 4.658 4.320 -0.014 0.000 0.290 70 K C -1.590 174.964 176.600 -0.077 0.000 1.069 70 K CA 0.148 56.454 56.287 0.031 0.000 0.941 70 K CB 0.063 32.589 32.500 0.045 0.000 1.023 70 K HN 0.633 8.883 8.250 -0.000 0.000 0.477 71 Y N 5.666 125.956 120.300 -0.017 0.000 2.328 71 Y HA 0.256 4.798 4.550 -0.014 0.000 0.337 71 Y C -1.524 174.371 175.900 -0.008 0.000 1.008 71 Y CA -1.786 56.291 58.100 -0.039 0.000 1.129 71 Y CB 1.043 39.485 38.460 -0.030 0.000 1.185 71 Y HN 0.652 8.932 8.280 -0.000 0.000 0.476 72 P HA 0.119 4.539 4.420 -0.000 0.000 0.274 72 P C -0.207 177.144 177.300 0.085 0.000 1.256 72 P CA -0.272 62.864 63.100 0.060 0.000 0.795 72 P CB 1.099 32.807 31.700 0.014 0.000 1.038 73 E N 0.316 120.553 120.200 0.062 0.000 2.204 73 E HA -0.147 4.194 4.350 -0.014 0.000 0.194 73 E C 1.101 177.727 176.600 0.042 0.000 0.989 73 E CA 0.929 57.360 56.400 0.052 0.000 0.824 73 E CB -0.263 29.459 29.700 0.037 0.000 0.756 73 E HN 0.497 8.857 8.360 -0.000 0.000 0.477 74 N N 0.937 119.661 118.700 0.040 0.000 2.314 74 N HA 0.025 4.757 4.740 -0.014 0.000 0.200 74 N C -0.020 175.510 175.510 0.032 0.000 1.135 74 N CA 0.163 53.233 53.050 0.034 0.000 0.835 74 N CB 0.218 38.726 38.487 0.035 0.000 0.989 74 N HN 0.091 8.470 8.380 -0.000 0.000 0.478 75 I N 0.614 121.208 120.570 0.039 0.000 2.466 75 I HA 0.254 4.415 4.170 -0.014 0.000 0.289 75 I C -0.308 175.813 176.117 0.006 0.000 1.026 75 I CA -1.284 60.025 61.300 0.016 0.000 1.078 75 I CB 2.635 40.630 38.000 -0.009 0.000 1.249 75 I HN -0.303 7.907 8.210 -0.000 0.000 0.429 76 V N 4.465 124.342 119.914 -0.063 0.000 2.585 76 V HA -0.018 4.093 4.120 -0.014 0.000 0.296 76 V C 0.157 176.082 176.094 -0.281 0.000 1.035 76 V CA 0.344 62.576 62.300 -0.113 0.000 1.084 76 V CB 0.876 32.657 31.823 -0.069 0.000 0.953 76 V HN 0.654 8.844 8.190 -0.000 0.000 0.483 77 D N 3.623 123.799 120.400 -0.372 0.000 2.467 77 D HA 0.108 4.739 4.640 -0.014 0.000 0.220 77 D C 0.516 176.541 176.300 -0.459 0.000 1.103 77 D CA -0.395 53.184 54.000 -0.702 0.000 0.886 77 D CB 0.557 41.014 40.800 -0.573 0.000 1.025 77 D HN 0.557 8.927 8.370 -0.000 0.000 0.514 78 Y N 3.629 123.513 120.300 -0.693 0.000 2.207 78 Y HA -0.221 4.320 4.550 -0.015 0.000 0.287 78 Y C 1.096 176.528 175.900 -0.780 0.000 1.156 78 Y CA 1.789 59.427 58.100 -0.770 0.000 1.182 78 Y CB -0.077 37.731 38.460 -1.086 0.000 0.979 78 Y HN 0.361 8.641 8.280 -0.000 0.000 0.521 79 F N -0.273 119.464 119.950 -0.356 0.000 2.179 79 F HA -0.020 4.499 4.527 -0.014 0.000 0.292 79 F C 2.258 177.953 175.800 -0.175 0.000 1.089 79 F CA 1.130 58.872 58.000 -0.430 0.000 1.295 79 F CB -0.468 38.287 39.000 -0.409 0.000 1.041 79 F HN -0.247 8.053 8.300 -0.000 0.000 0.487 80 K N 0.275 120.683 120.400 0.013 0.000 2.148 80 K HA -0.169 4.142 4.320 -0.014 0.000 0.204 80 K C 1.951 178.592 176.600 0.067 0.000 1.050 80 K CA 1.152 57.483 56.287 0.073 0.000 0.942 80 K CB -0.315 32.157 32.500 -0.047 0.000 0.724 80 K HN 0.393 8.643 8.250 -0.000 0.000 0.446 81 Q N 0.294 120.035 119.800 -0.097 0.000 2.226 81 Q HA -0.115 4.216 4.340 -0.014 0.000 0.204 81 Q C 2.103 178.009 176.000 -0.157 0.000 0.975 81 Q CA 1.652 57.378 55.803 -0.129 0.000 0.866 81 Q CB 0.002 28.606 28.738 -0.223 0.000 0.915 81 Q HN 0.331 8.601 8.270 -0.000 0.000 0.440 82 S N -0.528 115.009 115.700 -0.272 0.000 2.481 82 S HA -0.028 4.433 4.470 -0.014 0.000 0.231 82 S C 0.426 174.804 174.600 -0.370 0.000 0.996 82 S CA -0.010 57.943 58.200 -0.411 0.000 0.942 82 S CB -0.124 62.721 63.200 -0.591 0.000 0.768 82 S HN 0.090 8.400 8.310 -0.000 0.000 0.520 83 F N 2.478 122.435 119.950 0.012 0.000 2.371 83 F HA 0.419 4.938 4.527 -0.014 0.000 0.329 83 F C -1.068 174.742 175.800 0.017 0.000 1.107 83 F CA -2.307 55.726 58.000 0.054 0.000 1.137 83 F CB 0.714 39.779 39.000 0.109 0.000 1.214 83 F HN -0.091 8.209 8.300 -0.000 0.000 0.536 84 P HA -0.056 4.364 4.420 -0.000 0.000 0.229 84 P C 0.689 178.109 177.300 0.200 0.000 1.160 84 P CA 0.996 64.255 63.100 0.266 0.000 0.777 84 P CB 0.255 32.036 31.700 0.135 0.000 0.814 85 E N 0.440 120.670 120.200 0.049 0.000 2.085 85 E HA 0.079 4.420 4.350 -0.014 0.000 0.194 85 E C 1.442 178.000 176.600 -0.071 0.000 0.994 85 E CA 1.603 57.995 56.400 -0.014 0.000 0.801 85 E CB -0.807 28.861 29.700 -0.053 0.000 0.743 85 E HN 0.359 8.719 8.360 -0.000 0.000 0.453 86 G N -1.095 107.513 108.800 -0.320 0.000 2.500 86 G HA2 -0.025 3.926 3.960 -0.014 0.000 0.209 86 G HA3 -0.025 3.926 3.960 -0.014 0.000 0.209 86 G C -1.029 173.720 174.900 -0.251 0.000 1.283 86 G CA -0.472 44.298 45.100 -0.551 0.000 0.960 86 G HN 0.383 8.673 8.290 -0.000 0.000 0.528 87 Y N -1.853 118.295 120.300 -0.254 0.000 2.725 87 Y HA 0.862 5.403 4.550 -0.014 0.000 0.333 87 Y C -0.090 175.854 175.900 0.072 0.000 1.242 87 Y CA -0.494 57.574 58.100 -0.054 0.000 1.059 87 Y CB 0.973 39.446 38.460 0.021 0.000 1.306 87 Y HN 1.891 10.171 8.280 -0.000 0.000 0.454 88 S N 1.014 116.774 115.700 0.100 0.000 2.599 88 S HA 0.827 5.288 4.470 -0.014 0.000 0.287 88 S C -1.461 173.293 174.600 0.257 0.000 1.105 88 S CA -0.687 57.485 58.200 -0.047 0.000 0.899 88 S CB 2.021 65.189 63.200 -0.055 0.000 1.100 88 S HN 1.385 9.695 8.310 -0.000 0.000 0.482 89 W N 0.106 121.451 121.300 0.075 0.000 2.962 89 W HA 0.802 5.453 4.660 -0.015 0.000 0.341 89 W C -1.461 175.024 176.519 -0.057 0.000 1.155 89 W CA -0.843 56.521 57.345 0.032 0.000 1.165 89 W CB 0.917 30.389 29.460 0.021 0.000 1.435 89 W HN 0.721 8.901 8.180 -0.000 0.000 0.546 90 E N 1.627 122.035 120.200 0.346 0.000 2.293 90 E HA 0.578 4.920 4.350 -0.014 0.000 0.270 90 E C -1.270 175.434 176.600 0.173 0.000 0.879 90 E CA -1.044 55.485 56.400 0.216 0.000 0.756 90 E CB 3.513 33.244 29.700 0.052 0.000 1.208 90 E HN 0.387 8.747 8.360 -0.000 0.000 0.428 91 R N 1.266 121.848 120.500 0.136 0.000 2.566 91 R HA 0.474 4.805 4.340 -0.014 0.000 0.271 91 R C -1.494 174.723 176.300 -0.137 0.000 1.071 91 R CA -0.362 55.709 56.100 -0.048 0.000 0.915 91 R CB 1.848 32.080 30.300 -0.113 0.000 1.228 91 R HN 0.542 8.812 8.270 -0.000 0.000 0.449 92 S N 3.430 119.003 115.700 -0.211 0.000 2.568 92 S HA 0.626 5.088 4.470 -0.014 0.000 0.302 92 S C -0.814 173.551 174.600 -0.392 0.000 1.082 92 S CA -0.725 57.326 58.200 -0.249 0.000 1.009 92 S CB 1.646 64.741 63.200 -0.175 0.000 1.069 92 S HN 0.521 8.831 8.310 -0.000 0.000 0.500 93 M N 2.825 122.189 119.600 -0.394 0.000 2.124 93 M HA 0.475 4.946 4.480 -0.014 0.000 0.280 93 M C -1.407 174.722 176.300 -0.284 0.000 0.954 93 M CA -0.001 54.985 55.300 -0.523 0.000 0.958 93 M CB 1.319 33.525 32.600 -0.657 0.000 1.611 93 M HN 0.430 8.720 8.290 -0.000 0.000 0.449 94 I N 3.527 123.927 120.570 -0.284 0.000 2.328 94 I HA 0.356 4.517 4.170 -0.014 0.000 0.287 94 I C -0.964 175.028 176.117 -0.209 0.000 1.012 94 I CA -0.748 60.453 61.300 -0.166 0.000 1.195 94 I CB 0.717 38.642 38.000 -0.125 0.000 1.350 94 I HN 0.544 8.754 8.210 -0.000 0.000 0.464 95 Y N 3.987 124.251 120.300 -0.059 0.000 2.301 95 Y HA 0.049 4.590 4.550 -0.014 0.000 0.328 95 Y C 1.690 177.553 175.900 -0.061 0.000 1.242 95 Y CA -0.480 57.572 58.100 -0.080 0.000 1.323 95 Y CB 0.810 39.294 38.460 0.039 0.000 1.266 95 Y HN 0.597 8.877 8.280 -0.000 0.000 0.527 96 E N -0.259 119.979 120.200 0.063 0.000 2.338 96 E HA -0.184 4.158 4.350 -0.014 0.000 0.197 96 E C 0.220 176.916 176.600 0.160 0.000 1.007 96 E CA 1.408 57.862 56.400 0.091 0.000 0.849 96 E CB -0.150 29.600 29.700 0.084 0.000 0.774 96 E HN 0.746 9.106 8.360 -0.000 0.000 0.506 97 D N -0.326 120.236 120.400 0.272 0.000 2.342 97 D HA 0.126 4.758 4.640 -0.014 0.000 0.221 97 D C 1.232 177.596 176.300 0.107 0.000 1.101 97 D CA 0.301 54.427 54.000 0.209 0.000 0.837 97 D CB 0.503 41.464 40.800 0.269 0.000 0.938 97 D HN 0.324 8.694 8.370 -0.000 0.000 0.508 98 G N -0.621 108.216 108.800 0.063 0.000 2.194 98 G HA2 -0.166 3.785 3.960 -0.014 0.000 0.236 98 G HA3 -0.166 3.785 3.960 -0.014 0.000 0.236 98 G C 0.689 175.490 174.900 -0.165 0.000 0.987 98 G CA -0.144 44.936 45.100 -0.033 0.000 0.635 98 G HN 0.766 9.056 8.290 -0.000 0.000 0.520 99 G N -0.004 108.620 108.800 -0.293 0.000 2.380 99 G HA2 0.498 4.449 3.960 -0.014 0.000 0.242 99 G HA3 0.498 4.449 3.960 -0.014 0.000 0.242 99 G C -0.103 174.487 174.900 -0.518 0.000 1.298 99 G CA 0.117 44.626 45.100 -0.985 0.000 0.878 99 G HN 0.766 9.056 8.290 -0.000 0.000 0.542 100 I N 0.992 121.268 120.570 -0.489 0.000 2.533 100 I HA 0.261 4.422 4.170 -0.014 0.000 0.290 100 I C -0.546 175.496 176.117 -0.124 0.000 1.056 100 I CA -0.656 60.540 61.300 -0.173 0.000 1.057 100 I CB 2.308 40.218 38.000 -0.150 0.000 1.240 100 I HN 0.336 8.546 8.210 -0.000 0.000 0.423 101 C N 4.379 123.652 119.300 -0.045 0.000 2.417 101 C HA 0.613 5.064 4.460 -0.014 0.000 0.324 101 C C -0.301 174.500 174.990 -0.315 0.000 1.240 101 C CA -0.643 58.256 59.018 -0.198 0.000 1.632 101 C CB 1.095 28.733 27.740 -0.170 0.000 2.241 101 C HN 0.833 9.063 8.230 -0.000 0.000 0.499 102 N N 1.229 119.699 118.700 -0.383 0.000 2.238 102 N HA 0.818 5.549 4.740 -0.014 0.000 0.302 102 N C -1.128 174.180 175.510 -0.336 0.000 1.072 102 N CA -0.462 52.408 53.050 -0.301 0.000 0.792 102 N CB 1.648 40.025 38.487 -0.185 0.000 1.425 102 N HN 0.893 9.274 8.380 -0.000 0.000 0.478 103 A N 0.142 122.873 122.820 -0.148 0.000 2.539 103 A HA 0.880 5.192 4.320 -0.014 0.000 0.296 103 A C -0.785 176.842 177.584 0.072 0.000 1.073 103 A CA -0.530 51.502 52.037 -0.008 0.000 0.700 103 A CB 1.166 20.294 19.000 0.214 0.000 1.296 103 A HN 1.094 9.244 8.150 -0.000 0.000 0.405 104 T N -0.681 113.783 114.554 -0.151 0.000 2.903 104 T HA 0.738 5.079 4.350 -0.014 0.000 0.299 104 T C -1.099 173.121 174.700 -0.800 0.000 1.093 104 T CA -0.806 61.060 62.100 -0.389 0.000 1.002 104 T CB 1.853 70.584 68.868 -0.228 0.000 1.127 104 T HN 0.702 8.942 8.240 -0.000 0.000 0.488 105 N N 0.515 118.491 118.700 -1.207 0.000 2.260 105 N HA 0.468 5.199 4.740 -0.014 0.000 0.293 105 N C -2.314 172.784 175.510 -0.687 0.000 1.058 105 N CA -0.509 51.900 53.050 -1.068 0.000 0.824 105 N CB 2.616 40.112 38.487 -1.653 0.000 1.551 105 N HN 0.931 9.311 8.380 -0.000 0.000 0.475 106 D N 2.366 122.529 120.400 -0.396 0.000 2.425 106 D HA 0.488 5.120 4.640 -0.014 0.000 0.240 106 D C -0.755 175.433 176.300 -0.188 0.000 1.080 106 D CA -0.313 53.531 54.000 -0.261 0.000 0.836 106 D CB 0.821 41.526 40.800 -0.158 0.000 1.125 106 D HN 0.422 8.792 8.370 -0.000 0.000 0.525 107 I N 3.766 124.212 120.570 -0.207 0.000 2.362 107 I HA 0.354 4.516 4.170 -0.014 0.000 0.289 107 I C 0.344 176.541 176.117 0.134 0.000 0.994 107 I CA -0.469 60.809 61.300 -0.038 0.000 1.158 107 I CB 1.715 39.649 38.000 -0.111 0.000 1.315 107 I HN 0.388 8.598 8.210 -0.000 0.000 0.451 108 T N 3.516 118.203 114.554 0.222 0.000 2.910 108 T HA 0.757 5.099 4.350 -0.014 0.000 0.287 108 T C -0.869 174.029 174.700 0.331 0.000 1.050 108 T CA -0.871 61.387 62.100 0.263 0.000 1.011 108 T CB 2.198 71.141 68.868 0.126 0.000 1.195 108 T HN 0.277 8.517 8.240 -0.000 0.000 0.540 109 L N 1.142 122.516 121.223 0.252 0.000 2.381 109 L HA 0.681 5.012 4.340 -0.014 0.000 0.274 109 L C -1.547 175.331 176.870 0.013 0.000 0.988 109 L CA -0.332 54.547 54.840 0.064 0.000 0.824 109 L CB 1.742 43.825 42.059 0.041 0.000 1.263 109 L HN 0.844 9.074 8.230 -0.000 0.000 0.410 110 D N 4.061 124.433 120.400 -0.047 0.000 2.469 110 D HA 0.542 5.174 4.640 -0.014 0.000 0.251 110 D C 0.607 176.868 176.300 -0.066 0.000 1.173 110 D CA 0.891 54.872 54.000 -0.031 0.000 0.882 110 D CB 1.679 42.476 40.800 -0.005 0.000 1.129 110 D HN 0.880 9.250 8.370 -0.000 0.000 0.549 111 G N 4.999 113.764 108.800 -0.058 0.000 2.602 111 G HA2 -0.329 3.622 3.960 -0.014 0.000 0.310 111 G HA3 -0.329 3.622 3.960 -0.014 0.000 0.310 111 G C 0.521 175.349 174.900 -0.120 0.000 1.183 111 G CA 0.744 45.805 45.100 -0.065 0.000 0.979 111 G HN 0.628 8.918 8.290 -0.000 0.000 0.545 112 D N 0.101 120.432 120.400 -0.115 0.000 2.427 112 D HA 0.351 4.983 4.640 -0.014 0.000 0.224 112 D C 0.334 176.509 176.300 -0.209 0.000 1.157 112 D CA 0.401 54.306 54.000 -0.159 0.000 0.828 112 D CB -0.301 40.457 40.800 -0.070 0.000 0.974 112 D HN 0.641 9.011 8.370 -0.000 0.000 0.498 113 C N 1.243 120.409 119.300 -0.224 0.000 2.340 113 C HA 0.508 4.960 4.460 -0.014 0.000 0.323 113 C C -0.805 174.057 174.990 -0.213 0.000 1.260 113 C CA -0.782 58.146 59.018 -0.149 0.000 1.464 113 C CB -0.773 26.945 27.740 -0.036 0.000 2.156 113 C HN 0.258 8.488 8.230 -0.000 0.000 0.476 114 Y N 5.531 125.863 120.300 0.053 0.000 2.335 114 Y HA 0.504 5.045 4.550 -0.015 0.000 0.331 114 Y C 0.719 176.677 175.900 0.097 0.000 1.094 114 Y CA -0.020 58.123 58.100 0.072 0.000 1.253 114 Y CB 0.508 39.039 38.460 0.118 0.000 1.203 114 Y HN 0.469 8.749 8.280 -0.000 0.000 0.508 115 I N 3.677 124.386 120.570 0.232 0.000 2.378 115 I HA 0.331 4.493 4.170 -0.014 0.000 0.291 115 I C -0.946 175.259 176.117 0.147 0.000 0.992 115 I CA -0.413 60.980 61.300 0.155 0.000 1.154 115 I CB 0.996 39.054 38.000 0.098 0.000 1.315 115 I HN 0.543 8.753 8.210 -0.000 0.000 0.448 116 C N 4.863 124.237 119.300 0.125 0.000 2.345 116 C HA 0.405 4.857 4.460 -0.014 0.000 0.323 116 C C -0.057 174.956 174.990 0.039 0.000 1.276 116 C CA -0.753 58.312 59.018 0.077 0.000 1.543 116 C CB 0.846 28.660 27.740 0.123 0.000 2.211 116 C HN 0.662 8.892 8.230 -0.000 0.000 0.493 117 E N 2.871 123.053 120.200 -0.029 0.000 2.141 117 E HA 0.494 4.836 4.350 -0.014 0.000 0.259 117 E C -0.988 175.548 176.600 -0.107 0.000 0.883 117 E CA -0.048 56.327 56.400 -0.043 0.000 0.744 117 E CB 1.243 30.915 29.700 -0.047 0.000 1.150 117 E HN 0.587 8.947 8.360 -0.000 0.000 0.420 118 I N 2.509 123.039 120.570 -0.066 0.000 2.412 118 I HA 0.413 4.574 4.170 -0.014 0.000 0.296 118 I C -0.056 176.019 176.117 -0.072 0.000 0.987 118 I CA -0.893 60.344 61.300 -0.105 0.000 1.180 118 I CB 1.386 39.371 38.000 -0.025 0.000 1.340 118 I HN 0.204 8.414 8.210 -0.000 0.000 0.455 119 R N 5.596 126.040 120.500 -0.093 0.000 2.562 119 R HA 0.599 4.931 4.340 -0.014 0.000 0.298 119 R C -1.962 174.354 176.300 0.028 0.000 0.961 119 R CA -0.499 55.568 56.100 -0.055 0.000 0.881 119 R CB 1.120 31.367 30.300 -0.088 0.000 1.159 119 R HN 0.516 8.786 8.270 -0.000 0.000 0.450 120 F N 3.343 123.222 119.950 -0.119 0.000 2.557 120 F HA 0.484 5.004 4.527 -0.013 0.000 0.316 120 F C -1.382 174.396 175.800 -0.037 0.000 1.141 120 F CA -0.519 57.451 58.000 -0.050 0.000 0.922 120 F CB 1.960 40.962 39.000 0.003 0.000 1.194 120 F HN 0.512 8.812 8.300 -0.000 0.000 0.443 121 D N 4.597 124.764 120.400 -0.390 0.000 2.575 121 D HA 0.351 4.982 4.640 -0.014 0.000 0.250 121 D C -0.642 175.502 176.300 -0.259 0.000 1.279 121 D CA -0.359 53.535 54.000 -0.178 0.000 0.925 121 D CB 2.109 42.839 40.800 -0.117 0.000 1.261 121 D HN 0.762 9.132 8.370 -0.000 0.000 0.567 122 G N 0.497 109.281 108.800 -0.026 0.000 2.416 122 G HA2 0.647 4.599 3.960 -0.014 0.000 0.329 122 G HA3 0.647 4.599 3.960 -0.014 0.000 0.329 122 G C -0.190 174.784 174.900 0.123 0.000 1.173 122 G CA -0.597 44.571 45.100 0.112 0.000 0.929 122 G HN 0.325 8.615 8.290 -0.000 0.000 0.475 123 V N -0.498 119.419 119.914 0.005 0.000 3.114 123 V HA 0.693 4.805 4.120 -0.014 0.000 0.308 123 V C 0.204 176.180 176.094 -0.197 0.000 1.168 123 V CA -1.170 61.110 62.300 -0.034 0.000 1.015 123 V CB 1.866 33.659 31.823 -0.051 0.000 1.050 123 V HN 0.756 8.946 8.190 -0.000 0.000 0.433 124 N N -0.414 118.225 118.700 -0.102 0.000 2.776 124 N HA -0.180 4.551 4.740 -0.014 0.000 0.250 124 N C -0.688 174.701 175.510 -0.202 0.000 1.112 124 N CA 1.154 54.122 53.050 -0.136 0.000 0.733 124 N CB -1.472 36.922 38.487 -0.155 0.000 1.097 124 N HN 0.764 9.144 8.380 -0.000 0.000 0.558 125 F N 1.405 121.348 119.950 -0.011 0.000 2.472 125 F HA 0.276 4.795 4.527 -0.013 0.000 0.364 125 F C -1.332 174.457 175.800 -0.018 0.000 1.090 125 F CA -1.651 56.336 58.000 -0.021 0.000 1.188 125 F CB 0.314 39.276 39.000 -0.062 0.000 1.105 125 F HN -0.141 8.159 8.300 -0.000 0.000 0.536 126 P HA 0.039 4.459 4.420 -0.000 0.000 0.268 126 P C 0.167 177.505 177.300 0.062 0.000 1.205 126 P CA 0.099 63.244 63.100 0.076 0.000 0.771 126 P CB 0.912 32.645 31.700 0.055 0.000 0.858 127 A N 3.545 126.387 122.820 0.037 0.000 1.972 127 A HA -0.211 4.100 4.320 -0.014 0.000 0.219 127 A C 1.537 179.118 177.584 -0.005 0.000 1.169 127 A CA 2.008 54.056 52.037 0.018 0.000 0.635 127 A CB -1.108 17.900 19.000 0.013 0.000 0.810 127 A HN 0.714 8.864 8.150 -0.000 0.000 0.446 128 N N -0.187 118.508 118.700 -0.008 0.000 2.270 128 N HA 0.218 4.949 4.740 -0.014 0.000 0.198 128 N C 0.661 176.143 175.510 -0.048 0.000 1.117 128 N CA 0.559 53.593 53.050 -0.026 0.000 0.845 128 N CB -0.602 37.874 38.487 -0.018 0.000 0.980 128 N HN 0.254 8.634 8.380 -0.000 0.000 0.486 129 G N 0.756 109.527 108.800 -0.048 0.000 2.616 129 G HA2 0.274 4.225 3.960 -0.014 0.000 0.268 129 G HA3 0.274 4.225 3.960 -0.014 0.000 0.268 129 G C -1.489 173.298 174.900 -0.188 0.000 1.213 129 G CA -1.184 43.855 45.100 -0.102 0.000 0.926 129 G HN 0.045 8.335 8.290 -0.000 0.000 0.523 130 P HA -0.042 4.378 4.420 -0.000 0.000 0.225 130 P C 1.797 178.901 177.300 -0.325 0.000 1.156 130 P CA 0.335 63.215 63.100 -0.367 0.000 0.787 130 P CB 0.249 31.614 31.700 -0.558 0.000 0.802 131 V N 0.142 119.853 119.914 -0.339 0.000 2.283 131 V HA -0.167 3.944 4.120 -0.014 0.000 0.243 131 V C 2.566 178.514 176.094 -0.243 0.000 1.039 131 V CA 1.686 63.780 62.300 -0.342 0.000 1.016 131 V CB -1.047 30.397 31.823 -0.633 0.000 0.650 131 V HN 0.017 8.207 8.190 -0.000 0.000 0.449 132 M N -0.522 118.974 119.600 -0.173 0.000 2.394 132 M HA -0.056 4.415 4.480 -0.014 0.000 0.264 132 M C 1.899 178.136 176.300 -0.103 0.000 1.073 132 M CA 1.248 56.487 55.300 -0.102 0.000 1.111 132 M CB -1.075 31.502 32.600 -0.040 0.000 1.401 132 M HN 0.421 8.711 8.290 -0.000 0.000 0.448 133 Q N 0.264 119.991 119.800 -0.121 0.000 2.319 133 Q HA 0.085 4.416 4.340 -0.014 0.000 0.202 133 Q C -0.261 175.665 176.000 -0.124 0.000 0.896 133 Q CA -0.139 55.599 55.803 -0.108 0.000 0.942 133 Q CB 0.365 29.045 28.738 -0.098 0.000 1.083 133 Q HN 0.386 8.656 8.270 -0.000 0.000 0.510 134 K N 0.635 120.941 120.400 -0.158 0.000 3.244 134 K HA -0.215 4.096 4.320 -0.014 0.000 0.270 134 K C 0.002 176.512 176.600 -0.150 0.000 1.016 134 K CA 0.336 56.517 56.287 -0.176 0.000 0.754 134 K CB -0.862 31.530 32.500 -0.180 0.000 1.326 134 K HN 0.245 8.495 8.250 -0.000 0.000 0.465 135 R N 0.236 120.640 120.500 -0.161 0.000 2.468 135 R HA 0.012 4.344 4.340 -0.014 0.000 0.280 135 R C 0.618 176.833 176.300 -0.143 0.000 0.963 135 R CA 0.482 56.499 56.100 -0.139 0.000 1.083 135 R CB 0.624 30.838 30.300 -0.143 0.000 1.200 135 R HN 0.432 8.702 8.270 -0.000 0.000 0.541 136 T N -3.023 111.436 114.554 -0.159 0.000 2.922 136 T HA 0.314 4.655 4.350 -0.014 0.000 0.285 136 T C 1.138 175.765 174.700 -0.123 0.000 1.005 136 T CA -0.727 61.280 62.100 -0.154 0.000 1.061 136 T CB 2.144 70.901 68.868 -0.184 0.000 1.007 136 T HN -0.227 8.013 8.240 -0.000 0.000 0.502 137 V N 1.464 121.311 119.914 -0.111 0.000 2.743 137 V HA 0.363 4.475 4.120 -0.014 0.000 0.237 137 V C 0.543 176.616 176.094 -0.035 0.000 1.113 137 V CA 0.942 63.208 62.300 -0.056 0.000 1.141 137 V CB -0.383 31.414 31.823 -0.043 0.000 0.873 137 V HN 1.155 9.345 8.190 -0.000 0.000 0.486 138 K N -1.444 118.916 120.400 -0.067 0.000 2.625 138 K HA 0.250 4.561 4.320 -0.014 0.000 0.284 138 K C -2.109 174.459 176.600 -0.053 0.000 0.984 138 K CA -0.815 55.464 56.287 -0.014 0.000 0.865 138 K CB 0.743 33.287 32.500 0.073 0.000 1.468 138 K HN 0.022 8.272 8.250 -0.000 0.000 0.407 139 W N 2.320 123.662 121.300 0.070 0.000 2.238 139 W HA 0.190 4.842 4.660 -0.014 0.000 0.321 139 W C 0.570 177.119 176.519 0.051 0.000 1.293 139 W CA -0.101 57.278 57.345 0.056 0.000 1.204 139 W CB 0.689 30.136 29.460 -0.022 0.000 1.167 139 W HN 0.371 8.551 8.180 -0.000 0.000 0.553 140 E N 1.694 122.101 120.200 0.346 0.000 2.391 140 E HA 0.054 4.395 4.350 -0.014 0.000 0.255 140 E C -0.339 176.362 176.600 0.168 0.000 1.187 140 E CA -0.853 55.692 56.400 0.241 0.000 0.941 140 E CB 0.485 30.313 29.700 0.213 0.000 1.010 140 E HN 0.325 8.685 8.360 -0.000 0.000 0.458 141 L N 1.289 122.593 121.223 0.135 0.000 2.601 141 L HA -0.074 4.257 4.340 -0.014 0.000 0.277 141 L C -0.365 176.495 176.870 -0.016 0.000 1.219 141 L CA 0.831 55.717 54.840 0.077 0.000 0.915 141 L CB 0.094 42.203 42.059 0.083 0.000 1.160 141 L HN 0.220 8.450 8.230 -0.000 0.000 0.494 142 S N 3.198 118.804 115.700 -0.158 0.000 2.456 142 S HA 0.463 4.925 4.470 -0.014 0.000 0.316 142 S C -0.221 174.273 174.600 -0.176 0.000 1.089 142 S CA -0.568 57.370 58.200 -0.436 0.000 1.101 142 S CB 1.136 63.576 63.200 -1.267 0.000 0.995 142 S HN 0.709 9.019 8.310 -0.000 0.000 0.468 143 T N 3.063 117.655 114.554 0.063 0.000 2.781 143 T HA 0.250 4.591 4.350 -0.014 0.000 0.305 143 T C -0.119 174.727 174.700 0.244 0.000 1.001 143 T CA -0.444 61.731 62.100 0.125 0.000 0.950 143 T CB 0.508 69.429 68.868 0.089 0.000 0.955 143 T HN 0.603 8.843 8.240 -0.000 0.000 0.471 144 E N 3.322 123.645 120.200 0.205 0.000 2.259 144 E HA 0.187 4.529 4.350 -0.014 0.000 0.281 144 E C -0.436 176.180 176.600 0.027 0.000 1.027 144 E CA -0.749 55.764 56.400 0.189 0.000 0.838 144 E CB 0.452 30.299 29.700 0.244 0.000 1.066 144 E HN 0.248 8.608 8.360 -0.000 0.000 0.401 145 K N 4.708 125.101 120.400 -0.012 0.000 2.307 145 K HA 0.352 4.663 4.320 -0.014 0.000 0.263 145 K C -0.893 175.585 176.600 -0.203 0.000 0.973 145 K CA -0.789 55.398 56.287 -0.167 0.000 0.846 145 K CB 1.170 33.632 32.500 -0.063 0.000 1.100 145 K HN 0.400 8.650 8.250 -0.000 0.000 0.438 146 L N 4.075 125.014 121.223 -0.473 0.000 2.329 146 L HA 0.530 4.862 4.340 -0.014 0.000 0.279 146 L C -0.589 176.098 176.870 -0.305 0.000 1.014 146 L CA -0.891 53.727 54.840 -0.371 0.000 0.814 146 L CB 0.780 42.541 42.059 -0.497 0.000 1.257 146 L HN 0.527 8.757 8.230 -0.000 0.000 0.424 147 Y N 0.351 120.537 120.300 -0.191 0.000 2.581 147 Y HA 0.777 5.318 4.550 -0.014 0.000 0.337 147 Y C -1.165 174.724 175.900 -0.019 0.000 1.108 147 Y CA -1.583 56.497 58.100 -0.033 0.000 1.033 147 Y CB 0.828 39.365 38.460 0.129 0.000 1.318 147 Y HN 0.186 8.466 8.280 -0.000 0.000 0.459 148 V N 3.926 123.872 119.914 0.055 0.000 2.583 148 V HA 0.570 4.682 4.120 -0.014 0.000 0.287 148 V C -0.132 175.994 176.094 0.054 0.000 1.051 148 V CA -0.375 61.900 62.300 -0.041 0.000 1.010 148 V CB 1.197 33.025 31.823 0.008 0.000 0.988 148 V HN 0.848 9.038 8.190 -0.000 0.000 0.478 149 R N 2.795 123.274 120.500 -0.036 0.000 2.566 149 R HA 0.339 4.670 4.340 -0.014 0.000 0.271 149 R C -1.076 175.228 176.300 0.007 0.000 1.071 149 R CA -0.500 55.626 56.100 0.044 0.000 0.915 149 R CB 1.284 31.646 30.300 0.104 0.000 1.228 149 R HN 0.767 9.037 8.270 -0.000 0.000 0.449 150 D N 3.127 123.543 120.400 0.027 0.000 2.772 150 D HA -0.174 4.457 4.640 -0.014 0.000 0.233 150 D C 0.687 176.996 176.300 0.015 0.000 1.143 150 D CA 2.021 56.033 54.000 0.019 0.000 0.700 150 D CB -1.105 39.704 40.800 0.015 0.000 1.076 150 D HN 1.075 9.445 8.370 -0.000 0.000 0.430 151 G N -2.054 106.756 108.800 0.017 0.000 2.168 151 G HA2 -0.206 3.746 3.960 -0.014 0.000 0.263 151 G HA3 -0.206 3.746 3.960 -0.014 0.000 0.263 151 G C 0.494 175.412 174.900 0.031 0.000 0.977 151 G CA 1.358 46.473 45.100 0.025 0.000 0.659 151 G HN 1.354 9.644 8.290 -0.000 0.000 0.533 152 V N -3.291 116.618 119.914 -0.010 0.000 3.155 152 V HA 0.925 5.036 4.120 -0.014 0.000 0.313 152 V C -0.086 175.889 176.094 -0.199 0.000 1.162 152 V CA -1.531 60.747 62.300 -0.037 0.000 1.048 152 V CB 2.088 33.922 31.823 0.019 0.000 1.092 152 V HN 0.760 8.950 8.190 -0.000 0.000 0.447 153 L N 1.877 122.890 121.223 -0.349 0.000 2.282 153 L HA 0.646 4.978 4.340 -0.014 0.000 0.288 153 L C -0.081 176.661 176.870 -0.215 0.000 1.033 153 L CA 0.026 54.607 54.840 -0.430 0.000 0.807 153 L CB 0.829 42.359 42.059 -0.882 0.000 1.209 153 L HN 0.839 9.069 8.230 -0.000 0.000 0.423 154 K N 2.642 122.798 120.400 -0.408 0.000 2.221 154 K HA 0.827 5.139 4.320 -0.014 0.000 0.243 154 K C -0.852 175.531 176.600 -0.361 0.000 0.968 154 K CA -0.724 55.290 56.287 -0.456 0.000 0.846 154 K CB 1.986 34.022 32.500 -0.774 0.000 1.141 154 K HN 0.733 8.983 8.250 -0.000 0.000 0.434 155 S N 0.382 115.997 115.700 -0.142 0.000 2.570 155 S HA 0.516 4.977 4.470 -0.014 0.000 0.270 155 S C -1.620 173.008 174.600 0.047 0.000 1.149 155 S CA -0.994 57.215 58.200 0.014 0.000 0.837 155 S CB 2.121 65.410 63.200 0.149 0.000 1.124 155 S HN 0.504 8.814 8.310 -0.000 0.000 0.465 156 D N -0.512 119.933 120.400 0.074 0.000 2.581 156 D HA 0.725 5.357 4.640 -0.014 0.000 0.232 156 D C -0.606 175.650 176.300 -0.073 0.000 1.143 156 D CA -0.557 53.449 54.000 0.011 0.000 0.881 156 D CB 2.119 42.946 40.800 0.046 0.000 1.500 156 D HN 0.961 9.331 8.370 -0.000 0.000 0.458 157 G N 0.257 108.874 108.800 -0.305 0.000 2.720 157 G HA2 0.382 4.334 3.960 -0.014 0.000 0.295 157 G HA3 0.382 4.334 3.960 -0.014 0.000 0.295 157 G C -1.455 172.919 174.900 -0.878 0.000 1.437 157 G CA -0.849 43.853 45.100 -0.663 0.000 0.886 157 G HN 0.424 8.714 8.290 -0.000 0.000 0.509 158 N N 0.484 118.847 118.700 -0.561 0.000 2.707 158 N HA 0.363 5.095 4.740 -0.014 0.000 0.235 158 N C -1.226 174.226 175.510 -0.097 0.000 1.028 158 N CA -0.643 52.227 53.050 -0.299 0.000 0.906 158 N CB 0.841 39.265 38.487 -0.105 0.000 1.131 158 N HN 0.293 8.673 8.380 -0.000 0.000 0.509 159 Y N 0.740 121.024 120.300 -0.026 0.000 2.519 159 Y HA 0.790 5.332 4.550 -0.014 0.000 0.324 159 Y C 0.285 176.314 175.900 0.216 0.000 1.214 159 Y CA -2.121 56.003 58.100 0.041 0.000 1.260 159 Y CB 1.257 39.609 38.460 -0.180 0.000 1.311 159 Y HN 0.612 8.892 8.280 -0.000 0.000 0.505 160 A N 1.462 124.599 122.820 0.527 0.000 2.427 160 A HA 0.667 4.979 4.320 -0.014 0.000 0.298 160 A C -1.620 176.165 177.584 0.334 0.000 1.036 160 A CA -0.685 51.575 52.037 0.371 0.000 0.701 160 A CB 0.744 19.879 19.000 0.226 0.000 1.250 160 A HN 0.713 8.863 8.150 -0.000 0.000 0.412 161 L N 2.614 123.870 121.223 0.055 0.000 2.276 161 L HA 0.406 4.738 4.340 -0.014 0.000 0.286 161 L C 1.018 177.901 176.870 0.021 0.000 1.061 161 L CA -0.396 54.336 54.840 -0.180 0.000 0.807 161 L CB 1.701 43.534 42.059 -0.376 0.000 1.177 161 L HN 0.877 9.107 8.230 -0.000 0.000 0.429 162 S N 4.253 119.916 115.700 -0.061 0.000 2.580 162 S HA 0.559 5.020 4.470 -0.014 0.000 0.274 162 S C -0.398 174.086 174.600 -0.192 0.000 1.329 162 S CA -0.767 57.262 58.200 -0.284 0.000 1.036 162 S CB 0.843 63.915 63.200 -0.214 0.000 0.919 162 S HN 0.437 8.747 8.310 -0.000 0.000 0.515 163 L N 1.778 122.875 121.223 -0.209 0.000 2.330 163 L HA 0.457 4.788 4.340 -0.014 0.000 0.271 163 L C 0.443 177.247 176.870 -0.110 0.000 1.013 163 L CA -1.062 53.698 54.840 -0.134 0.000 0.816 163 L CB 1.442 43.437 42.059 -0.107 0.000 1.287 163 L HN 0.854 9.084 8.230 -0.000 0.000 0.435 164 E N 0.718 120.864 120.200 -0.089 0.000 2.417 164 E HA 0.326 4.667 4.350 -0.014 0.000 0.261 164 E C 0.874 177.440 176.600 -0.056 0.000 1.000 164 E CA 0.331 56.694 56.400 -0.063 0.000 0.919 164 E CB 0.531 30.198 29.700 -0.055 0.000 0.955 164 E HN 0.780 9.140 8.360 -0.000 0.000 0.455 165 G N 2.175 110.949 108.800 -0.043 0.000 2.241 165 G HA2 -0.069 3.882 3.960 -0.014 0.000 0.244 165 G HA3 -0.069 3.882 3.960 -0.014 0.000 0.244 165 G C 0.638 175.517 174.900 -0.034 0.000 0.998 165 G CA -0.261 44.819 45.100 -0.033 0.000 0.621 165 G HN 1.789 10.079 8.290 -0.000 0.000 0.519 166 G N -1.611 107.156 108.800 -0.056 0.000 2.440 166 G HA2 0.583 4.534 3.960 -0.014 0.000 0.684 166 G HA3 0.583 4.534 3.960 -0.014 0.000 0.684 166 G C 0.873 175.727 174.900 -0.076 0.000 1.309 166 G CA 1.050 46.113 45.100 -0.062 0.000 0.931 166 G HN 2.637 10.927 8.290 -0.000 0.000 0.612 167 G N -0.747 108.004 108.800 -0.082 0.000 2.756 167 G HA2 0.398 4.350 3.960 -0.014 0.000 0.678 167 G HA3 0.398 4.350 3.960 -0.014 0.000 0.678 167 G C -0.586 174.194 174.900 -0.200 0.000 1.349 167 G CA 0.579 45.664 45.100 -0.024 0.000 0.847 167 G HN 1.998 10.288 8.290 -0.000 0.000 0.548 168 H N -1.610 117.510 119.070 0.083 0.000 2.797 168 H HA 0.680 5.228 4.556 -0.014 0.000 0.372 168 H C -1.037 174.407 175.328 0.194 0.000 1.168 168 H CA -0.419 55.698 56.048 0.114 0.000 1.163 168 H CB 1.948 31.770 29.762 0.100 0.000 1.778 168 H HN 0.768 9.048 8.280 -0.000 0.000 0.551 169 Y N 1.698 122.097 120.300 0.164 0.000 2.326 169 Y HA 0.415 4.956 4.550 -0.014 0.000 0.329 169 Y C -1.044 174.981 175.900 0.209 0.000 0.973 169 Y CA -0.986 57.204 58.100 0.150 0.000 1.162 169 Y CB 0.714 39.229 38.460 0.091 0.000 1.147 169 Y HN 0.483 8.763 8.280 -0.000 0.000 0.456 170 R N 4.297 124.773 120.500 -0.039 0.000 2.404 170 R HA 0.558 4.890 4.340 -0.014 0.000 0.291 170 R C -1.191 174.997 176.300 -0.186 0.000 1.025 170 R CA -0.383 55.693 56.100 -0.041 0.000 0.991 170 R CB 1.356 31.665 30.300 0.015 0.000 1.053 170 R HN 0.788 9.058 8.270 -0.000 0.000 0.479 171 C N 2.414 121.662 119.300 -0.087 0.000 2.608 171 C HA 0.368 4.820 4.460 -0.014 0.000 0.325 171 C C -1.358 173.572 174.990 -0.100 0.000 1.147 171 C CA -0.687 58.188 59.018 -0.240 0.000 1.359 171 C CB 1.352 28.899 27.740 -0.322 0.000 1.912 171 C HN 0.692 8.922 8.230 -0.000 0.000 0.466 172 D N 3.763 124.070 120.400 -0.155 0.000 2.233 172 D HA 0.437 5.069 4.640 -0.014 0.000 0.240 172 D C -0.647 175.607 176.300 -0.076 0.000 1.074 172 D CA 0.291 54.204 54.000 -0.144 0.000 0.838 172 D CB 0.981 41.699 40.800 -0.137 0.000 1.124 172 D HN 0.467 8.837 8.370 -0.000 0.000 0.475 173 F N 1.243 120.927 119.950 -0.445 0.000 2.422 173 F HA 0.371 4.889 4.527 -0.015 0.000 0.333 173 F C 0.900 176.545 175.800 -0.258 0.000 1.095 173 F CA -0.711 57.085 58.000 -0.340 0.000 1.038 173 F CB 1.721 40.506 39.000 -0.358 0.000 1.156 173 F HN -0.130 8.170 8.300 -0.000 0.000 0.483 174 K N 2.352 122.696 120.400 -0.093 0.000 2.637 174 K HA 0.384 4.695 4.320 -0.014 0.000 0.248 174 K C -1.560 174.959 176.600 -0.136 0.000 0.971 174 K CA -0.369 55.865 56.287 -0.088 0.000 0.858 174 K CB 1.639 34.086 32.500 -0.088 0.000 1.170 174 K HN 0.606 8.856 8.250 -0.000 0.000 0.443 175 T N 1.598 116.056 114.554 -0.161 0.000 2.887 175 T HA 0.411 4.752 4.350 -0.014 0.000 0.288 175 T C -0.747 173.759 174.700 -0.323 0.000 1.021 175 T CA -0.548 61.369 62.100 -0.305 0.000 1.000 175 T CB 1.816 70.369 68.868 -0.525 0.000 1.034 175 T HN 0.355 8.595 8.240 -0.000 0.000 0.467 176 T N 2.739 117.115 114.554 -0.298 0.000 2.812 176 T HA 0.509 4.850 4.350 -0.014 0.000 0.282 176 T C -1.199 173.395 174.700 -0.177 0.000 0.990 176 T CA -0.488 61.490 62.100 -0.203 0.000 0.960 176 T CB 0.332 69.154 68.868 -0.076 0.000 0.948 176 T HN 0.397 8.637 8.240 -0.000 0.000 0.438 177 Y N 2.025 122.412 120.300 0.144 0.000 2.342 177 Y HA 0.525 5.066 4.550 -0.015 0.000 0.334 177 Y C 0.694 176.761 175.900 0.277 0.000 1.067 177 Y CA -0.934 57.366 58.100 0.334 0.000 1.128 177 Y CB 1.277 39.942 38.460 0.343 0.000 1.200 177 Y HN 0.349 8.629 8.280 -0.000 0.000 0.464 178 K N 2.503 123.217 120.400 0.524 0.000 2.604 178 K HA 0.666 4.978 4.320 -0.014 0.000 0.247 178 K C -0.750 176.049 176.600 0.332 0.000 0.956 178 K CA -0.690 55.814 56.287 0.361 0.000 0.896 178 K CB 1.700 34.319 32.500 0.198 0.000 1.131 178 K HN 0.752 9.002 8.250 -0.000 0.000 0.440 179 A N 2.477 125.434 122.820 0.228 0.000 2.445 179 A HA 0.089 4.400 4.320 -0.014 0.000 0.242 179 A C 0.342 177.905 177.584 -0.036 0.000 1.075 179 A CA 0.007 51.996 52.037 -0.079 0.000 0.777 179 A CB 0.230 18.911 19.000 -0.531 0.000 1.013 179 A HN 0.784 8.934 8.150 -0.000 0.000 0.493 180 K N 0.464 120.823 120.400 -0.068 0.000 2.437 180 K HA 0.082 4.393 4.320 -0.014 0.000 0.198 180 K C 0.116 176.678 176.600 -0.064 0.000 1.024 180 K CA 0.490 56.748 56.287 -0.048 0.000 1.148 180 K CB -0.125 32.349 32.500 -0.045 0.000 0.860 180 K HN 0.764 9.014 8.250 -0.000 0.000 0.515 181 K N -2.118 118.224 120.400 -0.098 0.000 2.548 181 K HA 0.292 4.603 4.320 -0.014 0.000 0.282 181 K C -0.895 175.643 176.600 -0.105 0.000 1.006 181 K CA -0.983 55.252 56.287 -0.086 0.000 0.892 181 K CB 1.275 33.723 32.500 -0.086 0.000 1.499 181 K HN -0.290 7.960 8.250 -0.000 0.000 0.433 182 V N 2.214 122.083 119.914 -0.075 0.000 2.479 182 V HA 0.200 4.311 4.120 -0.014 0.000 0.281 182 V C 0.229 176.261 176.094 -0.103 0.000 1.031 182 V CA -0.199 62.060 62.300 -0.069 0.000 1.038 182 V CB 0.349 32.149 31.823 -0.038 0.000 0.981 182 V HN 0.566 8.756 8.190 -0.000 0.000 0.478 183 V N 2.573 122.407 119.914 -0.134 0.000 3.126 183 V HA 0.593 4.704 4.120 -0.014 0.000 0.314 183 V C -0.269 175.773 176.094 -0.086 0.000 1.138 183 V CA -1.139 61.061 62.300 -0.167 0.000 1.034 183 V CB 1.784 33.393 31.823 -0.356 0.000 1.075 183 V HN 0.763 8.953 8.190 -0.000 0.000 0.442 184 Q N 1.014 120.768 119.800 -0.077 0.000 2.313 184 Q HA 0.434 4.766 4.340 -0.014 0.000 0.266 184 Q C -1.001 175.005 176.000 0.010 0.000 0.989 184 Q CA -0.264 55.521 55.803 -0.030 0.000 0.890 184 Q CB 0.823 29.540 28.738 -0.035 0.000 1.200 184 Q HN 0.741 9.011 8.270 -0.000 0.000 0.396 185 L N 6.914 128.162 121.223 0.042 0.000 2.326 185 L HA 0.471 4.803 4.340 -0.014 0.000 0.278 185 L C -1.868 175.023 176.870 0.035 0.000 1.092 185 L CA -2.053 52.828 54.840 0.069 0.000 0.810 185 L CB 0.782 42.872 42.059 0.052 0.000 1.153 185 L HN 0.627 8.857 8.230 -0.000 0.000 0.439 186 P HA 0.195 4.615 4.420 -0.000 0.000 0.279 186 P C -1.123 176.242 177.300 0.108 0.000 1.252 186 P CA -0.628 62.498 63.100 0.044 0.000 0.811 186 P CB 0.998 32.728 31.700 0.051 0.000 1.035 187 D N -0.089 120.390 120.400 0.132 0.000 2.371 187 D HA 0.042 4.673 4.640 -0.014 0.000 0.242 187 D C 0.032 176.529 176.300 0.328 0.000 1.218 187 D CA 0.108 54.227 54.000 0.197 0.000 0.945 187 D CB -0.057 40.841 40.800 0.164 0.000 1.137 187 D HN 0.332 8.702 8.370 -0.000 0.000 0.464 188 Y N 2.049 122.462 120.300 0.189 0.000 2.810 188 Y HA -0.028 4.513 4.550 -0.014 0.000 0.332 188 Y C 0.741 176.791 175.900 0.250 0.000 1.243 188 Y CA 0.968 59.180 58.100 0.186 0.000 1.537 188 Y CB 0.014 38.543 38.460 0.114 0.000 1.265 188 Y HN 0.374 8.654 8.280 -0.000 0.000 0.572 189 H N 0.932 119.857 119.070 -0.241 0.000 2.902 189 H HA 0.569 5.117 4.556 -0.014 0.000 0.297 189 H C -1.681 173.529 175.328 -0.197 0.000 1.406 189 H CA -1.068 54.929 56.048 -0.084 0.000 1.134 189 H CB 0.711 30.484 29.762 0.019 0.000 1.833 189 H HN 0.479 8.759 8.280 -0.000 0.000 0.527 190 S N 0.127 115.808 115.700 -0.032 0.000 2.566 190 S HA 0.603 5.064 4.470 -0.014 0.000 0.298 190 S C -0.620 173.953 174.600 -0.045 0.000 1.083 190 S CA -0.751 57.402 58.200 -0.079 0.000 0.978 190 S CB 2.211 65.433 63.200 0.036 0.000 1.073 190 S HN 0.467 8.777 8.310 -0.000 0.000 0.491 191 V N 2.113 121.961 119.914 -0.109 0.000 2.531 191 V HA 0.388 4.499 4.120 -0.014 0.000 0.301 191 V C -1.036 174.896 176.094 -0.270 0.000 1.034 191 V CA -0.848 61.291 62.300 -0.269 0.000 0.865 191 V CB 1.906 33.504 31.823 -0.375 0.000 0.995 191 V HN 0.772 8.962 8.190 -0.000 0.000 0.424 192 D N 3.077 123.332 120.400 -0.241 0.000 2.225 192 D HA 0.403 5.034 4.640 -0.014 0.000 0.248 192 D C -0.298 175.777 176.300 -0.375 0.000 1.096 192 D CA 0.004 53.903 54.000 -0.168 0.000 0.863 192 D CB 0.660 41.461 40.800 0.001 0.000 1.156 192 D HN 0.508 8.878 8.370 -0.000 0.000 0.450 193 H N 1.311 120.284 119.070 -0.163 0.000 2.547 193 H HA 0.213 4.761 4.556 -0.015 0.000 0.342 193 H C -0.738 174.535 175.328 -0.092 0.000 1.048 193 H CA -0.529 55.413 56.048 -0.177 0.000 1.204 193 H CB 1.534 31.118 29.762 -0.296 0.000 1.493 193 H HN 0.445 8.725 8.280 -0.000 0.000 0.511 194 H N 3.349 122.419 119.070 -0.000 0.000 2.551 194 H HA 0.427 4.974 4.556 -0.015 0.000 0.321 194 H C -1.154 174.218 175.328 0.074 0.000 1.028 194 H CA -0.534 55.545 56.048 0.051 0.000 1.215 194 H CB 0.556 30.376 29.762 0.098 0.000 1.414 194 H HN 0.545 8.825 8.280 -0.000 0.000 0.480 195 I N 4.341 124.728 120.570 -0.305 0.000 2.509 195 I HA 0.394 4.555 4.170 -0.014 0.000 0.293 195 I C -1.287 174.724 176.117 -0.178 0.000 1.020 195 I CA -0.521 60.672 61.300 -0.179 0.000 1.088 195 I CB 1.268 39.209 38.000 -0.099 0.000 1.267 195 I HN 0.789 8.999 8.210 -0.000 0.000 0.430 196 E N 7.451 127.630 120.200 -0.036 0.000 2.311 196 E HA 0.346 4.688 4.350 -0.014 0.000 0.281 196 E C -1.527 175.156 176.600 0.138 0.000 0.905 196 E CA -0.643 55.780 56.400 0.039 0.000 0.778 196 E CB 1.680 31.395 29.700 0.025 0.000 1.240 196 E HN 0.580 8.940 8.360 -0.000 0.000 0.410 197 I N 6.598 127.264 120.570 0.161 0.000 2.421 197 I HA 0.012 4.173 4.170 -0.014 0.000 0.291 197 I C 1.301 177.497 176.117 0.133 0.000 1.089 197 I CA -0.244 61.153 61.300 0.162 0.000 1.354 197 I CB 0.451 38.569 38.000 0.198 0.000 1.413 197 I HN 0.673 8.883 8.210 -0.000 0.000 0.513 198 I N 3.849 124.477 120.570 0.096 0.000 2.333 198 I HA -0.058 4.104 4.170 -0.014 0.000 0.246 198 I C 1.136 177.256 176.117 0.004 0.000 1.106 198 I CA 1.173 62.503 61.300 0.051 0.000 1.411 198 I CB -0.698 37.319 38.000 0.028 0.000 1.082 198 I HN 0.661 8.871 8.210 -0.000 0.000 0.420 199 S N 0.356 116.044 115.700 -0.020 0.000 2.570 199 S HA 0.652 5.113 4.470 -0.014 0.000 0.270 199 S C -0.869 173.653 174.600 -0.130 0.000 1.149 199 S CA -0.687 57.437 58.200 -0.127 0.000 0.837 199 S CB 2.334 65.453 63.200 -0.136 0.000 1.124 199 S HN 0.494 8.804 8.310 -0.000 0.000 0.465 200 H N -1.421 117.487 119.070 -0.270 0.000 3.068 200 H HA 0.694 5.243 4.556 -0.011 0.000 0.342 200 H C -1.537 173.553 175.328 -0.397 0.000 1.284 200 H CA -0.818 54.972 56.048 -0.429 0.000 1.181 200 H CB 0.376 29.647 29.762 -0.817 0.000 1.898 200 H HN 0.637 8.917 8.280 -0.000 0.000 0.540 201 D N 0.685 120.934 120.400 -0.252 0.000 2.423 201 D HA 0.161 4.792 4.640 -0.014 0.000 0.255 201 D C 0.689 176.905 176.300 -0.140 0.000 1.174 201 D CA -0.830 53.052 54.000 -0.197 0.000 1.008 201 D CB 1.171 41.896 40.800 -0.126 0.000 1.101 201 D HN 0.689 9.059 8.370 -0.000 0.000 0.516 202 K N -0.706 119.641 120.400 -0.088 0.000 2.059 202 K HA -0.201 4.111 4.320 -0.014 0.000 0.212 202 K C 0.868 177.482 176.600 0.023 0.000 1.050 202 K CA 2.199 58.469 56.287 -0.027 0.000 0.927 202 K CB -0.224 32.264 32.500 -0.021 0.000 0.714 202 K HN 0.602 8.852 8.250 -0.000 0.000 0.447 203 D N -1.797 118.617 120.400 0.024 0.000 2.342 203 D HA -0.040 4.591 4.640 -0.014 0.000 0.221 203 D C -0.485 175.921 176.300 0.177 0.000 1.101 203 D CA -0.354 53.702 54.000 0.092 0.000 0.837 203 D CB -0.254 40.567 40.800 0.035 0.000 0.938 203 D HN 0.253 8.623 8.370 -0.000 0.000 0.508 204 Y N -0.079 120.169 120.300 -0.086 0.000 4.409 204 Y HA -0.330 4.213 4.550 -0.011 0.000 0.228 204 Y C 1.873 177.696 175.900 -0.127 0.000 1.108 204 Y CA 0.592 58.575 58.100 -0.194 0.000 1.955 204 Y CB -2.600 35.676 38.460 -0.307 0.000 1.615 204 Y HN 0.265 8.545 8.280 -0.000 0.000 0.665 205 S N -1.230 114.492 115.700 0.036 0.000 2.447 205 S HA -0.004 4.458 4.470 -0.014 0.000 0.233 205 S C 0.523 175.132 174.600 0.015 0.000 1.006 205 S CA 0.915 59.144 58.200 0.049 0.000 0.957 205 S CB 0.169 63.389 63.200 0.034 0.000 0.773 205 S HN 0.468 8.778 8.310 -0.000 0.000 0.507 206 N N 0.780 119.450 118.700 -0.049 0.000 2.399 206 N HA 0.537 5.269 4.740 -0.014 0.000 0.284 206 N C -1.859 173.570 175.510 -0.135 0.000 1.025 206 N CA -0.300 52.707 53.050 -0.072 0.000 0.885 206 N CB 2.389 40.836 38.487 -0.067 0.000 1.339 206 N HN 0.024 8.404 8.380 -0.000 0.000 0.487 207 V N 2.109 121.939 119.914 -0.139 0.000 2.709 207 V HA 0.374 4.486 4.120 -0.014 0.000 0.308 207 V C -0.146 175.894 176.094 -0.091 0.000 1.062 207 V CA -0.977 61.220 62.300 -0.171 0.000 0.901 207 V CB 2.487 34.096 31.823 -0.357 0.000 1.003 207 V HN 0.615 8.805 8.190 -0.000 0.000 0.425 208 N N 3.637 122.303 118.700 -0.056 0.000 2.424 208 N HA 0.519 5.250 4.740 -0.014 0.000 0.271 208 N C -1.635 173.895 175.510 0.033 0.000 0.985 208 N CA -0.443 52.597 53.050 -0.018 0.000 0.921 208 N CB 1.822 40.297 38.487 -0.020 0.000 1.149 208 N HN 0.542 8.922 8.380 -0.000 0.000 0.492 209 L N 3.653 124.909 121.223 0.056 0.000 2.346 209 L HA 0.452 4.783 4.340 -0.014 0.000 0.276 209 L C -1.085 175.868 176.870 0.140 0.000 1.006 209 L CA -0.532 54.376 54.840 0.113 0.000 0.817 209 L CB 1.388 43.526 42.059 0.132 0.000 1.272 209 L HN 0.672 8.902 8.230 -0.000 0.000 0.421 210 H N 2.908 122.010 119.070 0.054 0.000 2.637 210 H HA 0.650 5.198 4.556 -0.013 0.000 0.363 210 H C -1.505 173.862 175.328 0.066 0.000 1.131 210 H CA -0.449 55.629 56.048 0.049 0.000 1.183 210 H CB 1.552 31.352 29.762 0.063 0.000 1.637 210 H HN 0.714 8.994 8.280 -0.000 0.000 0.531 211 E N 2.654 122.492 120.200 -0.603 0.000 2.314 211 E HA 0.206 4.548 4.350 -0.014 0.000 0.272 211 E C -1.712 174.685 176.600 -0.338 0.000 0.884 211 E CA -0.958 55.248 56.400 -0.324 0.000 0.753 211 E CB 1.554 31.186 29.700 -0.114 0.000 1.213 211 E HN 0.695 9.055 8.360 -0.000 0.000 0.432 212 H N 1.477 120.475 119.070 -0.120 0.000 2.689 212 H HA 0.713 5.261 4.556 -0.014 0.000 0.346 212 H C -1.950 173.377 175.328 -0.001 0.000 1.037 212 H CA -0.358 55.682 56.048 -0.013 0.000 1.234 212 H CB 1.551 31.389 29.762 0.126 0.000 1.572 212 H HN 0.525 8.805 8.280 -0.000 0.000 0.524 213 A N 4.377 127.116 122.820 -0.134 0.000 2.455 213 A HA 0.652 4.963 4.320 -0.014 0.000 0.300 213 A C -1.237 176.118 177.584 -0.381 0.000 1.040 213 A CA -0.750 51.078 52.037 -0.347 0.000 0.697 213 A CB 1.439 20.267 19.000 -0.287 0.000 1.265 213 A HN 0.751 8.901 8.150 -0.000 0.000 0.407 214 E N 0.838 120.745 120.200 -0.487 0.000 2.290 214 E HA 0.551 4.892 4.350 -0.014 0.000 0.274 214 E C -0.542 175.627 176.600 -0.719 0.000 0.889 214 E CA -0.787 55.309 56.400 -0.507 0.000 0.760 214 E CB 2.318 31.753 29.700 -0.441 0.000 1.206 214 E HN 0.911 9.271 8.360 -0.000 0.000 0.419 215 A N 2.932 125.288 122.820 -0.775 0.000 2.340 215 A HA 0.567 4.879 4.320 -0.014 0.000 0.268 215 A C -0.883 176.251 177.584 -0.751 0.000 1.100 215 A CA -0.050 51.530 52.037 -0.762 0.000 0.803 215 A CB 0.213 18.517 19.000 -1.160 0.000 1.043 215 A HN 0.688 8.838 8.150 -0.000 0.000 0.488 216 H N -0.344 118.655 119.070 -0.117 0.000 2.961 216 H HA 0.689 5.237 4.556 -0.015 0.000 0.371 216 H C -0.102 175.247 175.328 0.034 0.000 1.190 216 H CA 0.087 56.109 56.048 -0.042 0.000 1.138 216 H CB 2.192 31.931 29.762 -0.038 0.000 1.816 216 H HN 0.929 9.209 8.280 -0.000 0.000 0.551 217 S N 0.000 115.809 115.700 0.182 0.000 2.498 217 S HA 0.000 4.461 4.470 -0.014 0.000 0.327 217 S CA 0.000 58.303 58.200 0.172 0.000 1.107 217 S CB 0.000 63.307 63.200 0.179 0.000 0.593 217 S HN 0.000 8.310 8.310 -0.000 0.000 0.517