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 1pma_1_N DATA FIRST_RESID 13 DATA SEQUENCE TVFSPDGRLF QVEYAREAVK KGSTALGMKF ANGVLLISDK KVRSRLIEQN DATA SEQUENCE SIEKIQLIDD YVAAVTSGLV ADARVLVDFA RISAQQEKVT YGSLVNIENL DATA SEQUENCE VKRVADQMQQ YTQYGGVRPY GVSLIFAGID QIGPRLFDCD PAGTINEYKA DATA SEQUENCE TAIGSGKDAV VSFLEREYKE NLPEKEAVTL GIKALKSSLE EGEELKAPEI DATA SEQUENCE ASITVGNKYR IYDQEEVKKF L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 T HA 0.000 nan 4.350 nan 0.000 0.228 13 T C 0.000 174.592 174.700 -0.181 0.000 1.109 13 T CA 0.000 62.037 62.100 -0.105 0.000 1.349 13 T CB 0.000 68.797 68.868 -0.119 0.000 0.612 14 V N -0.124 119.677 119.914 -0.188 0.000 3.182 14 V HA 0.541 4.661 4.120 -0.000 0.000 0.308 14 V C -1.500 174.450 176.094 -0.240 0.000 1.240 14 V CA -2.361 59.797 62.300 -0.237 0.000 1.063 14 V CB 2.679 34.460 31.823 -0.070 0.000 1.076 14 V HN -0.072 8.038 8.190 -0.133 0.000 0.446 15 F N 0.039 119.951 119.950 -0.063 0.000 2.412 15 F HA 0.385 4.912 4.527 -0.000 0.000 0.348 15 F C 0.226 175.974 175.800 -0.086 0.000 1.102 15 F CA -0.385 57.557 58.000 -0.097 0.000 1.196 15 F CB 0.914 39.864 39.000 -0.082 0.000 1.144 15 F HN 0.011 8.337 8.300 0.042 0.000 0.541 16 S N 3.622 119.352 115.700 0.051 0.000 2.632 16 S HA 0.360 4.830 4.470 -0.000 0.000 0.267 16 S C -0.630 173.984 174.600 0.023 0.000 1.276 16 S CA -1.581 56.620 58.200 0.002 0.000 0.998 16 S CB -0.271 62.762 63.200 -0.278 0.000 0.953 16 S HN 0.391 8.690 8.310 -0.018 0.000 0.547 17 P HA -0.080 4.340 4.420 -0.000 0.000 0.231 17 P C -1.444 175.849 177.300 -0.013 0.000 1.158 17 P CA 2.063 65.177 63.100 0.022 0.000 0.763 17 P CB -0.254 31.473 31.700 0.045 0.000 0.805 18 D N -5.444 114.937 120.400 -0.032 0.000 2.402 18 D HA -0.053 4.587 4.640 -0.000 0.000 0.216 18 D C 0.596 176.841 176.300 -0.091 0.000 1.128 18 D CA -0.687 53.282 54.000 -0.052 0.000 0.833 18 D CB -1.050 39.733 40.800 -0.029 0.000 0.971 18 D HN -0.515 7.757 8.370 -0.043 0.073 0.503 19 G N 1.538 110.276 108.800 -0.103 0.000 2.289 19 G HA2 -0.527 3.433 3.960 -0.000 0.000 0.280 19 G HA3 -0.527 3.433 3.960 -0.000 0.000 0.280 19 G C -1.421 173.456 174.900 -0.037 0.000 1.089 19 G CA 0.539 45.564 45.100 -0.124 0.000 0.939 19 G HN 0.120 8.189 8.290 -0.079 0.173 0.499 20 R N -1.725 118.728 120.500 -0.079 0.000 2.725 20 R HA 0.346 4.686 4.340 -0.000 0.000 0.277 20 R C -1.108 175.024 176.300 -0.279 0.000 0.987 20 R CA -1.775 54.203 56.100 -0.203 0.000 0.901 20 R CB 3.502 33.539 30.300 -0.437 0.000 1.207 20 R HN -0.009 8.184 8.270 -0.128 0.000 0.463 21 L N 3.909 124.995 121.223 -0.227 0.000 2.288 21 L HA 0.265 4.605 4.340 -0.000 0.000 0.283 21 L C 0.230 176.945 176.870 -0.258 0.000 1.072 21 L CA -2.341 52.348 54.840 -0.251 0.000 0.862 21 L CB -2.213 39.719 42.059 -0.210 0.000 1.245 21 L HN 0.799 8.937 8.230 -0.153 0.000 0.432 22 F N 5.313 125.120 119.950 -0.238 0.000 2.091 22 F HA -0.512 4.015 4.527 -0.000 0.000 0.299 22 F C 1.752 177.114 175.800 -0.731 0.000 1.103 22 F CA 4.263 61.966 58.000 -0.496 0.000 1.228 22 F CB -0.395 38.333 39.000 -0.454 0.000 0.984 22 F HN -0.184 7.942 8.300 -0.290 0.000 0.477 23 Q N -2.426 117.237 119.800 -0.228 0.000 2.135 23 Q HA -0.340 4.000 4.340 -0.000 0.000 0.204 23 Q C 2.591 178.553 176.000 -0.065 0.000 0.981 23 Q CA 3.233 58.960 55.803 -0.128 0.000 0.856 23 Q CB -0.699 28.029 28.738 -0.016 0.000 0.902 23 Q HN 0.131 8.333 8.270 -0.114 0.000 0.425 24 V N 0.699 120.570 119.914 -0.072 0.000 2.548 24 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 24 V C 1.766 177.861 176.094 0.001 0.000 1.055 24 V CA 3.138 65.429 62.300 -0.016 0.000 1.065 24 V CB -0.478 31.331 31.823 -0.022 0.000 0.681 24 V HN -0.460 7.666 8.190 -0.107 0.000 0.462 25 E N 0.675 120.843 120.200 -0.053 0.000 2.031 25 E HA -0.337 4.013 4.350 -0.000 0.000 0.193 25 E C 2.560 179.252 176.600 0.153 0.000 0.994 25 E CA 3.113 59.527 56.400 0.023 0.000 0.800 25 E CB -0.652 29.061 29.700 0.021 0.000 0.752 25 E HN -0.284 7.894 8.360 -0.127 0.106 0.447 26 Y N -1.048 119.314 120.300 0.102 0.000 2.128 26 Y HA -0.368 4.182 4.550 -0.000 0.000 0.284 26 Y C 2.157 178.086 175.900 0.047 0.000 1.154 26 Y CA 0.849 58.987 58.100 0.064 0.000 1.149 26 Y CB -1.454 37.037 38.460 0.052 0.000 0.976 26 Y HN 0.070 8.222 8.280 -0.214 0.000 0.505 27 A N -1.769 121.174 122.820 0.205 0.000 1.892 27 A HA -0.444 3.876 4.320 -0.000 0.000 0.218 27 A C 2.215 179.860 177.584 0.103 0.000 1.188 27 A CA 3.002 55.114 52.037 0.125 0.000 0.631 27 A CB -0.919 18.137 19.000 0.094 0.000 0.822 27 A HN -0.074 8.185 8.150 0.182 0.000 0.447 28 R N -3.115 117.446 120.500 0.102 0.000 2.103 28 R HA -0.424 3.916 4.340 -0.000 0.000 0.242 28 R C 2.499 178.847 176.300 0.079 0.000 1.142 28 R CA 3.637 59.786 56.100 0.082 0.000 0.960 28 R CB -0.479 29.869 30.300 0.080 0.000 0.858 28 R HN -0.334 7.931 8.270 0.104 0.067 0.439 29 E N -1.469 118.793 120.200 0.104 0.000 2.049 29 E HA -0.323 4.027 4.350 -0.000 0.000 0.198 29 E C 1.932 178.563 176.600 0.052 0.000 1.007 29 E CA 2.881 59.329 56.400 0.080 0.000 0.809 29 E CB -0.899 28.855 29.700 0.090 0.000 0.749 29 E HN -0.620 7.717 8.360 0.142 0.108 0.450 30 A N -2.379 120.473 122.820 0.054 0.000 1.927 30 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 30 A C 2.402 180.001 177.584 0.026 0.000 1.185 30 A CA 2.817 54.874 52.037 0.034 0.000 0.639 30 A CB -0.936 18.087 19.000 0.038 0.000 0.820 30 A HN -0.322 7.873 8.150 0.075 0.000 0.451 31 V N -4.952 114.981 119.914 0.032 0.000 2.626 31 V HA -0.218 3.902 4.120 -0.000 0.000 0.252 31 V C 1.475 177.576 176.094 0.012 0.000 1.067 31 V CA 2.707 65.019 62.300 0.019 0.000 1.081 31 V CB -0.600 31.235 31.823 0.021 0.000 0.686 31 V HN -0.642 7.463 8.190 0.044 0.111 0.468 32 K N 0.329 120.741 120.400 0.019 0.000 2.148 32 K HA -0.315 4.005 4.320 -0.000 0.000 0.204 32 K C 1.978 178.582 176.600 0.007 0.000 1.050 32 K CA 3.234 59.529 56.287 0.014 0.000 0.942 32 K CB -0.223 32.290 32.500 0.023 0.000 0.724 32 K HN -0.085 8.057 8.250 0.029 0.126 0.446 33 K N -3.287 117.117 120.400 0.007 0.000 2.522 33 K HA -0.096 4.224 4.320 -0.000 0.000 0.194 33 K C 0.166 176.764 176.600 -0.003 0.000 1.026 33 K CA -0.309 55.979 56.287 0.001 0.000 1.119 33 K CB -0.708 31.793 32.500 0.002 0.000 0.856 33 K HN -0.763 7.469 8.250 0.012 0.025 0.513 34 G N -0.365 108.432 108.800 -0.006 0.000 2.511 34 G HA2 0.188 4.148 3.960 -0.000 0.000 0.316 34 G HA3 0.188 4.148 3.960 -0.000 0.000 0.316 34 G C -1.840 173.049 174.900 -0.018 0.000 1.210 34 G CA -2.315 42.777 45.100 -0.012 0.000 0.969 34 G HN -0.700 7.395 8.290 -0.003 0.192 0.492 35 S N -2.236 113.449 115.700 -0.024 0.000 2.576 35 S HA -0.124 4.346 4.470 -0.000 0.000 0.272 35 S C -0.304 174.275 174.600 -0.036 0.000 1.352 35 S CA 0.487 58.669 58.200 -0.029 0.000 1.021 35 S CB 0.852 64.032 63.200 -0.033 0.000 0.887 35 S HN 0.097 8.392 8.310 -0.024 0.000 0.542 36 T N 2.490 117.020 114.554 -0.039 0.000 2.875 36 T HA 0.375 4.725 4.350 -0.000 0.000 0.284 36 T C -1.997 172.667 174.700 -0.060 0.000 0.995 36 T CA -1.016 61.056 62.100 -0.047 0.000 1.060 36 T CB 1.046 69.889 68.868 -0.041 0.000 0.967 36 T HN 0.167 8.385 8.240 -0.036 0.000 0.476 37 A N 5.600 128.377 122.820 -0.071 0.000 2.612 37 A HA 1.173 5.493 4.320 -0.000 0.000 0.293 37 A C -3.166 174.361 177.584 -0.095 0.000 1.075 37 A CA -0.637 51.349 52.037 -0.084 0.000 0.680 37 A CB 3.288 22.236 19.000 -0.085 0.000 1.279 37 A HN 0.754 8.862 8.150 -0.070 0.000 0.411 38 L N -5.683 115.480 121.223 -0.100 0.000 2.630 38 L HA 1.000 5.340 4.340 -0.000 0.000 0.258 38 L C -2.042 174.775 176.870 -0.089 0.000 1.072 38 L CA -1.546 53.229 54.840 -0.108 0.000 0.885 38 L CB 3.370 45.361 42.059 -0.114 0.000 1.502 38 L HN 1.039 9.210 8.230 -0.098 0.000 0.406 39 G N -4.275 104.475 108.800 -0.084 0.000 2.720 39 G HA2 0.850 4.810 3.960 -0.000 0.000 0.295 39 G HA3 0.850 4.810 3.960 -0.000 0.000 0.295 39 G C -3.251 171.632 174.900 -0.028 0.000 1.437 39 G CA 0.220 45.300 45.100 -0.033 0.000 0.886 39 G HN 0.424 8.646 8.290 -0.113 0.000 0.509 40 M N -3.779 115.849 119.600 0.046 0.000 2.414 40 M HA 0.645 5.125 4.480 -0.000 0.000 0.287 40 M C -1.939 174.468 176.300 0.179 0.000 1.181 40 M CA -0.431 54.908 55.300 0.064 0.000 0.933 40 M CB 4.191 36.849 32.600 0.096 0.000 1.732 40 M HN 0.315 8.659 8.290 0.090 0.000 0.486 41 K N 0.487 120.969 120.400 0.137 0.000 2.295 41 K HA 0.520 4.840 4.320 -0.000 0.000 0.270 41 K C -0.326 176.436 176.600 0.270 0.000 1.011 41 K CA 1.304 57.648 56.287 0.096 0.000 0.953 41 K CB 0.843 33.374 32.500 0.051 0.000 0.956 41 K HN 0.163 8.460 8.250 0.078 0.000 0.477 42 F N -1.833 118.180 119.950 0.104 0.000 3.205 42 F HA 0.663 5.190 4.527 -0.000 0.000 0.336 42 F C 0.024 175.855 175.800 0.052 0.000 1.255 42 F CA -2.171 55.880 58.000 0.085 0.000 0.998 42 F CB 0.667 39.706 39.000 0.065 0.000 1.531 42 F HN 0.490 8.549 8.300 -0.401 0.000 0.521 43 A N 1.333 124.460 122.820 0.512 0.000 1.901 43 A HA -0.433 3.887 4.320 -0.000 0.000 0.227 43 A C 0.526 178.143 177.584 0.055 0.000 1.551 43 A CA 2.874 55.076 52.037 0.275 0.000 0.769 43 A CB -0.672 18.548 19.000 0.366 0.000 0.845 43 A HN 0.278 8.854 8.150 0.710 0.000 0.481 44 N N -1.671 117.004 118.700 -0.042 0.000 2.517 44 N HA 0.186 4.926 4.740 -0.000 0.000 0.285 44 N C -1.655 173.667 175.510 -0.313 0.000 1.528 44 N CA -1.180 51.792 53.050 -0.130 0.000 0.892 44 N CB 0.882 39.358 38.487 -0.018 0.000 1.356 44 N HN 0.105 8.528 8.380 0.072 0.000 0.495 45 G N -1.852 106.498 108.800 -0.750 0.000 2.510 45 G HA2 0.557 4.517 3.960 -0.000 0.000 0.277 45 G HA3 0.557 4.517 3.960 -0.000 0.000 0.277 45 G C -3.727 170.551 174.900 -1.038 0.000 1.223 45 G CA 0.501 45.133 45.100 -0.780 0.000 0.887 45 G HN -0.955 6.748 8.290 -0.978 0.000 0.485 46 V N -1.048 118.466 119.914 -0.667 0.000 3.048 46 V HA 0.979 5.099 4.120 -0.000 0.000 0.303 46 V C -2.528 173.675 176.094 0.182 0.000 1.214 46 V CA -1.766 60.406 62.300 -0.213 0.000 0.984 46 V CB 3.863 35.647 31.823 -0.066 0.000 1.054 46 V HN 0.081 7.989 8.190 -0.471 0.000 0.430 47 L N 2.170 123.599 121.223 0.343 0.000 2.333 47 L HA 1.205 5.545 4.340 -0.000 0.000 0.263 47 L C -2.680 174.272 176.870 0.138 0.000 1.014 47 L CA -1.727 53.277 54.840 0.274 0.000 0.820 47 L CB 3.814 45.990 42.059 0.196 0.000 1.352 47 L HN 0.041 8.469 8.230 0.330 0.000 0.421 48 L N -0.052 121.220 121.223 0.081 0.000 2.354 48 L HA 1.033 5.373 4.340 -0.000 0.000 0.264 48 L C -2.255 174.564 176.870 -0.084 0.000 1.008 48 L CA -1.091 53.753 54.840 0.007 0.000 0.819 48 L CB 4.813 46.885 42.059 0.023 0.000 1.339 48 L HN 0.870 9.049 8.230 0.096 0.109 0.420 49 I N 2.987 123.495 120.570 -0.104 0.000 2.680 49 I HA 0.657 4.827 4.170 -0.000 0.000 0.291 49 I C -3.286 172.764 176.117 -0.112 0.000 1.244 49 I CA -1.154 60.062 61.300 -0.139 0.000 1.042 49 I CB 4.184 42.072 38.000 -0.186 0.000 1.277 49 I HN 0.905 9.063 8.210 -0.086 0.000 0.423 50 S N 7.008 122.647 115.700 -0.102 0.000 2.542 50 S HA 0.607 5.077 4.470 -0.000 0.000 0.293 50 S C -2.217 172.339 174.600 -0.073 0.000 1.089 50 S CA -1.981 56.168 58.200 -0.084 0.000 0.961 50 S CB 2.570 65.724 63.200 -0.077 0.000 1.062 50 S HN 1.055 9.188 8.310 -0.107 0.112 0.483 51 D N 4.958 125.321 120.400 -0.062 0.000 2.374 51 D HA 0.101 4.741 4.640 -0.000 0.000 0.240 51 D C -1.349 174.927 176.300 -0.040 0.000 1.229 51 D CA -1.094 52.876 54.000 -0.049 0.000 0.895 51 D CB 0.605 41.379 40.800 -0.043 0.000 1.046 51 D HN 0.058 8.391 8.370 -0.062 0.000 0.498 52 K N 6.755 127.134 120.400 -0.035 0.000 2.171 52 K HA -0.021 4.299 4.320 -0.000 0.000 0.274 52 K C -1.197 175.391 176.600 -0.020 0.000 1.110 52 K CA -0.509 55.762 56.287 -0.027 0.000 0.952 52 K CB -0.141 32.345 32.500 -0.024 0.000 1.309 52 K HN -0.375 7.853 8.250 -0.037 0.000 0.414 53 K N 4.943 125.332 120.400 -0.019 0.000 2.262 53 K HA 0.140 4.460 4.320 -0.000 0.000 0.282 53 K C -1.137 175.456 176.600 -0.012 0.000 1.066 53 K CA -0.476 55.803 56.287 -0.014 0.000 0.901 53 K CB 1.002 33.493 32.500 -0.014 0.000 1.089 53 K HN -0.384 7.852 8.250 -0.022 0.000 0.476 54 V N 3.947 123.856 119.914 -0.009 0.000 2.769 54 V HA 0.247 4.367 4.120 -0.000 0.000 0.312 54 V C -1.105 174.986 176.094 -0.005 0.000 1.058 54 V CA -1.096 61.200 62.300 -0.007 0.000 0.952 54 V CB 1.386 33.206 31.823 -0.005 0.000 1.019 54 V HN 0.280 8.465 8.190 -0.008 0.000 0.445 55 R N 3.532 124.029 120.500 -0.005 0.000 1.747 55 R HA 0.215 4.555 4.340 -0.000 0.000 0.136 55 R C -0.241 176.057 176.300 -0.003 0.000 2.116 55 R CA 0.202 56.300 56.100 -0.004 0.000 1.739 55 R CB 0.575 30.873 30.300 -0.004 0.000 1.333 55 R HN 0.158 8.425 8.270 -0.005 0.000 0.480 56 S N -0.694 115.005 115.700 -0.003 0.000 2.569 56 S HA 0.065 4.535 4.470 -0.000 0.000 0.274 56 S C 1.709 176.308 174.600 -0.001 0.000 1.353 56 S CA -0.058 58.141 58.200 -0.002 0.000 1.023 56 S CB 0.696 63.895 63.200 -0.002 0.000 0.876 56 S HN -0.043 8.265 8.310 -0.003 0.000 0.540 57 R N 2.600 123.099 120.500 -0.001 0.000 2.193 57 R HA -0.114 4.226 4.340 -0.000 0.000 0.213 57 R C 0.637 176.937 176.300 -0.000 0.000 1.055 57 R CA 1.765 57.865 56.100 -0.000 0.000 0.995 57 R CB -0.167 30.133 30.300 0.000 0.000 0.893 57 R HN 0.538 8.807 8.270 -0.001 0.000 0.459 58 L N -2.269 118.954 121.223 -0.001 0.000 2.622 58 L HA -0.095 4.245 4.340 -0.000 0.000 0.233 58 L C 0.055 176.925 176.870 -0.001 0.000 1.156 58 L CA 0.152 54.991 54.840 -0.001 0.000 0.866 58 L CB -0.609 41.450 42.059 -0.001 0.000 0.980 58 L HN -0.297 7.887 8.230 -0.001 0.046 0.448 59 I N -0.870 119.699 120.570 -0.001 0.000 2.472 59 I HA -0.032 4.138 4.170 -0.000 0.000 0.290 59 I C 1.157 177.273 176.117 -0.001 0.000 1.016 59 I CA -1.242 60.057 61.300 -0.002 0.000 1.348 59 I CB 0.189 38.188 38.000 -0.003 0.000 1.417 59 I HN -0.939 7.200 8.210 -0.001 0.070 0.521 60 E N 8.182 128.381 120.200 -0.001 0.000 2.705 60 E HA -0.042 4.308 4.350 -0.000 0.000 0.272 60 E C -0.183 176.417 176.600 -0.001 0.000 1.528 60 E CA -0.851 55.548 56.400 -0.001 0.000 1.750 60 E CB -1.983 27.717 29.700 -0.001 0.000 1.439 60 E HN 0.494 8.853 8.360 -0.002 0.000 0.449 61 Q N 0.624 120.423 119.800 -0.001 0.000 2.469 61 Q HA -0.656 3.684 4.340 -0.000 0.000 0.454 61 Q C 0.786 176.785 176.000 -0.002 0.000 0.582 61 Q CA 2.333 58.136 55.803 -0.000 0.000 0.966 61 Q CB -2.304 26.436 28.738 0.002 0.000 2.473 61 Q HN 0.256 8.418 8.270 -0.001 0.107 1.015 62 N N 0.708 119.408 118.700 0.000 0.000 2.144 62 N HA -0.421 4.319 4.740 -0.000 0.000 0.195 62 N C 2.098 177.605 175.510 -0.005 0.000 1.006 62 N CA 2.704 55.753 53.050 -0.001 0.000 0.880 62 N CB -0.392 38.097 38.487 0.003 0.000 1.018 62 N HN 0.240 8.621 8.380 0.002 0.000 0.443 63 S N 0.277 115.975 115.700 -0.004 0.000 2.441 63 S HA -0.316 4.154 4.470 -0.000 0.000 0.242 63 S C 1.103 175.698 174.600 -0.008 0.000 1.018 63 S CA 2.917 61.114 58.200 -0.005 0.000 0.988 63 S CB 0.015 63.213 63.200 -0.003 0.000 0.778 63 S HN -0.283 7.996 8.310 -0.002 0.030 0.498 64 I N 1.329 121.893 120.570 -0.010 0.000 2.410 64 I HA -0.016 4.154 4.170 -0.000 0.000 0.288 64 I C -2.256 173.849 176.117 -0.019 0.000 1.106 64 I CA -1.606 59.686 61.300 -0.014 0.000 1.389 64 I CB -0.449 37.544 38.000 -0.012 0.000 1.561 64 I HN -0.493 7.662 8.210 -0.008 0.050 0.605 65 E N 4.097 124.285 120.200 -0.021 0.000 2.324 65 E HA -0.097 4.253 4.350 -0.000 0.000 0.271 65 E C -0.901 175.676 176.600 -0.039 0.000 1.028 65 E CA -0.005 56.377 56.400 -0.029 0.000 0.890 65 E CB 0.109 29.791 29.700 -0.030 0.000 1.004 65 E HN -0.548 7.731 8.360 -0.018 0.070 0.431 66 K N 3.618 123.990 120.400 -0.047 0.000 2.276 66 K HA 0.046 4.366 4.320 -0.000 0.000 0.198 66 K C 0.266 176.820 176.600 -0.076 0.000 1.052 66 K CA 0.925 57.177 56.287 -0.057 0.000 0.984 66 K CB 1.329 33.796 32.500 -0.056 0.000 0.836 66 K HN 0.085 8.825 8.250 -0.045 -0.517 0.490 67 I N 0.100 120.621 120.570 -0.081 0.000 2.337 67 I HA -0.091 4.079 4.170 -0.000 0.000 0.291 67 I C -0.725 175.325 176.117 -0.112 0.000 1.046 67 I CA 0.053 61.289 61.300 -0.107 0.000 1.324 67 I CB -0.244 37.690 38.000 -0.110 0.000 1.409 67 I HN -0.411 8.118 8.210 -0.070 -0.361 0.494 68 Q N 7.339 127.066 119.800 -0.122 0.000 2.348 68 Q HA 0.388 4.728 4.340 -0.000 0.000 0.271 68 Q C -1.610 174.311 176.000 -0.131 0.000 1.067 68 Q CA -2.175 53.565 55.803 -0.104 0.000 0.839 68 Q CB 3.918 32.614 28.738 -0.069 0.000 1.354 68 Q HN 0.568 8.758 8.270 -0.133 0.000 0.447 69 L N 1.263 122.419 121.223 -0.112 0.000 2.312 69 L HA 0.404 4.744 4.340 -0.000 0.000 0.281 69 L C 0.111 176.964 176.870 -0.028 0.000 1.070 69 L CA -0.221 54.553 54.840 -0.111 0.000 0.805 69 L CB 0.938 42.937 42.059 -0.099 0.000 1.174 69 L HN 0.552 8.731 8.230 -0.086 0.000 0.434 70 I N 1.943 122.521 120.570 0.013 0.000 3.081 70 I HA -0.054 4.116 4.170 -0.000 0.000 0.274 70 I C -0.079 176.073 176.117 0.058 0.000 1.178 70 I CA 1.165 62.498 61.300 0.055 0.000 1.460 70 I CB 0.997 39.063 38.000 0.109 0.000 1.137 70 I HN 0.484 8.700 8.210 0.010 0.000 0.443 71 D N -2.319 118.132 120.400 0.084 0.000 2.720 71 D HA 0.050 4.690 4.640 -0.000 0.000 0.239 71 D C -1.502 174.899 176.300 0.168 0.000 1.218 71 D CA -0.275 53.799 54.000 0.123 0.000 0.748 71 D CB 2.342 43.227 40.800 0.141 0.000 1.387 71 D HN -0.781 7.638 8.370 0.081 0.000 0.438 72 D N 1.409 121.905 120.400 0.162 0.000 2.332 72 D HA -0.318 4.322 4.640 -0.000 0.000 0.209 72 D C 0.389 176.649 176.300 -0.067 0.000 0.988 72 D CA 2.932 56.947 54.000 0.024 0.000 0.912 72 D CB -0.200 40.535 40.800 -0.108 0.000 0.899 72 D HN 0.622 9.090 8.370 0.163 0.000 0.477 73 Y N -6.100 114.320 120.300 0.201 0.000 2.500 73 Y HA 0.171 4.721 4.550 -0.000 0.000 0.246 73 Y C -1.741 174.334 175.900 0.291 0.000 1.146 73 Y CA -0.791 57.428 58.100 0.198 0.000 1.230 73 Y CB 0.781 39.288 38.460 0.079 0.000 1.214 73 Y HN -0.963 7.876 8.280 0.479 -0.271 0.526 74 V N -1.519 118.674 119.914 0.465 0.000 2.697 74 V HA 0.627 4.747 4.120 -0.000 0.000 0.300 74 V C -2.750 173.479 176.094 0.224 0.000 1.115 74 V CA -1.593 60.952 62.300 0.408 0.000 0.912 74 V CB 3.215 35.188 31.823 0.251 0.000 1.024 74 V HN 0.001 8.315 8.190 0.383 0.105 0.431 75 A N 7.335 130.231 122.820 0.127 0.000 2.344 75 A HA 1.186 5.506 4.320 -0.000 0.000 0.307 75 A C -2.801 174.786 177.584 0.004 0.000 1.151 75 A CA -2.690 49.258 52.037 -0.148 0.000 0.842 75 A CB 3.954 22.560 19.000 -0.657 0.000 1.350 75 A HN 1.127 9.485 8.150 0.348 0.000 0.459 76 A N -2.831 119.929 122.820 -0.101 0.000 2.574 76 A HA 0.907 5.227 4.320 -0.000 0.000 0.297 76 A C -2.920 174.534 177.584 -0.217 0.000 1.062 76 A CA -0.857 51.051 52.037 -0.214 0.000 0.686 76 A CB 3.642 22.370 19.000 -0.454 0.000 1.285 76 A HN 0.470 8.538 8.150 -0.137 0.000 0.403 77 V N 0.968 120.741 119.914 -0.234 0.000 2.735 77 V HA 0.798 4.918 4.120 -0.000 0.000 0.310 77 V C -2.493 173.481 176.094 -0.199 0.000 1.061 77 V CA -2.012 60.182 62.300 -0.176 0.000 0.913 77 V CB 3.808 35.553 31.823 -0.131 0.000 1.005 77 V HN 0.193 8.215 8.190 -0.280 0.000 0.428 78 T N 8.204 122.668 114.554 -0.150 0.000 2.916 78 T HA 0.734 5.084 4.350 -0.000 0.000 0.292 78 T C -1.969 172.680 174.700 -0.085 0.000 1.064 78 T CA -1.784 60.236 62.100 -0.132 0.000 1.011 78 T CB 1.752 70.546 68.868 -0.124 0.000 1.152 78 T HN 0.176 8.342 8.240 -0.123 0.000 0.510 79 S N 3.242 118.903 115.700 -0.066 0.000 2.543 79 S HA 0.430 4.900 4.470 -0.000 0.000 0.271 79 S C -1.840 172.746 174.600 -0.023 0.000 1.148 79 S CA -0.029 58.145 58.200 -0.043 0.000 0.914 79 S CB 2.391 65.565 63.200 -0.044 0.000 1.096 79 S HN 1.022 9.291 8.310 -0.068 0.000 0.471 80 G N 2.843 111.635 108.800 -0.012 0.000 2.270 80 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.268 80 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.268 80 G C -1.983 172.919 174.900 0.004 0.000 1.312 80 G CA -0.437 44.664 45.100 0.003 0.000 1.050 80 G HN -0.003 8.278 8.290 -0.016 0.000 0.474 81 L N 1.990 123.221 121.223 0.013 0.000 2.628 81 L HA -0.046 4.294 4.340 -0.000 0.000 0.274 81 L C 1.913 178.789 176.870 0.010 0.000 1.209 81 L CA 0.809 55.655 54.840 0.010 0.000 0.930 81 L CB -0.754 41.312 42.059 0.013 0.000 1.183 81 L HN 0.352 8.595 8.230 0.021 0.000 0.492 82 V N 8.334 128.250 119.914 0.003 0.000 2.287 82 V HA -0.426 3.694 4.120 -0.000 0.000 0.248 82 V C 1.491 177.591 176.094 0.009 0.000 1.053 82 V CA 3.604 65.904 62.300 0.001 0.000 1.027 82 V CB -0.035 31.786 31.823 -0.003 0.000 0.646 82 V HN 0.517 8.707 8.190 -0.000 0.000 0.447 83 A N -1.458 121.368 122.820 0.010 0.000 1.851 83 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 83 A C 1.510 179.116 177.584 0.036 0.000 1.195 83 A CA 3.584 55.631 52.037 0.016 0.000 0.622 83 A CB -1.488 17.516 19.000 0.006 0.000 0.831 83 A HN 0.394 8.548 8.150 0.005 0.000 0.444 84 D N -1.085 119.341 120.400 0.043 0.000 2.133 84 D HA -0.328 4.312 4.640 -0.000 0.000 0.192 84 D C 2.387 178.759 176.300 0.120 0.000 1.001 84 D CA 3.157 57.222 54.000 0.109 0.000 0.844 84 D CB -0.684 40.182 40.800 0.111 0.000 0.944 84 D HN 0.040 8.425 8.370 0.024 0.000 0.447 85 A N -0.360 122.495 122.820 0.058 0.000 1.859 85 A HA -0.375 3.945 4.320 -0.000 0.000 0.217 85 A C 1.869 179.468 177.584 0.025 0.000 1.198 85 A CA 3.184 55.234 52.037 0.021 0.000 0.629 85 A CB -0.686 18.310 19.000 -0.007 0.000 0.830 85 A HN -0.123 8.053 8.150 0.044 0.000 0.446 86 R N -1.657 118.860 120.500 0.027 0.000 2.122 86 R HA -0.401 3.939 4.340 -0.000 0.000 0.236 86 R C 1.957 178.290 176.300 0.056 0.000 1.129 86 R CA 3.441 59.560 56.100 0.031 0.000 0.925 86 R CB 0.037 30.353 30.300 0.026 0.000 0.850 86 R HN -0.254 8.030 8.270 0.023 0.000 0.431 87 V N -0.058 119.902 119.914 0.076 0.000 2.324 87 V HA -0.351 3.769 4.120 -0.000 0.000 0.250 87 V C 1.835 178.001 176.094 0.120 0.000 1.060 87 V CA 3.590 65.953 62.300 0.106 0.000 1.042 87 V CB -0.667 31.232 31.823 0.127 0.000 0.650 87 V HN -0.311 7.922 8.190 0.071 0.000 0.450 88 L N -1.127 120.145 121.223 0.081 0.000 2.046 88 L HA -0.346 3.994 4.340 -0.000 0.000 0.208 88 L C 1.847 178.793 176.870 0.126 0.000 1.077 88 L CA 3.391 58.241 54.840 0.017 0.000 0.747 88 L CB -0.346 41.654 42.059 -0.098 0.000 0.896 88 L HN -0.186 8.024 8.230 0.087 0.072 0.432 89 V N 0.479 120.446 119.914 0.087 0.000 2.261 89 V HA -0.564 3.556 4.120 -0.000 0.000 0.246 89 V C 2.092 178.252 176.094 0.110 0.000 1.047 89 V CA 4.894 67.249 62.300 0.091 0.000 1.015 89 V CB -1.068 30.774 31.823 0.032 0.000 0.642 89 V HN 0.462 8.602 8.190 0.056 0.084 0.446 90 D N -0.047 120.412 120.400 0.099 0.000 2.149 90 D HA -0.323 4.317 4.640 -0.000 0.000 0.198 90 D C 2.052 178.417 176.300 0.107 0.000 0.990 90 D CA 3.423 57.476 54.000 0.087 0.000 0.839 90 D CB -0.361 40.487 40.800 0.079 0.000 0.948 90 D HN -0.120 8.304 8.370 0.090 0.000 0.460 91 F N 0.950 120.910 119.950 0.017 0.000 2.069 91 F HA -0.475 4.052 4.527 -0.000 0.000 0.298 91 F C 0.681 176.486 175.800 0.010 0.000 1.113 91 F CA 3.524 61.528 58.000 0.007 0.000 1.214 91 F CB -0.130 38.859 39.000 -0.019 0.000 0.978 91 F HN -0.112 8.284 8.300 0.279 0.072 0.474 92 A N -1.273 121.584 122.820 0.062 0.000 1.917 92 A HA -0.449 3.871 4.320 -0.000 0.000 0.219 92 A C 2.232 179.756 177.584 -0.100 0.000 1.182 92 A CA 3.279 55.298 52.037 -0.031 0.000 0.633 92 A CB -0.974 18.147 19.000 0.201 0.000 0.819 92 A HN -0.012 8.297 8.150 0.265 0.000 0.448 93 R N -1.405 119.073 120.500 -0.036 0.000 2.082 93 R HA -0.344 3.996 4.340 -0.000 0.000 0.234 93 R C 2.369 178.619 176.300 -0.084 0.000 1.136 93 R CA 3.479 59.558 56.100 -0.035 0.000 0.935 93 R CB 0.025 30.324 30.300 -0.001 0.000 0.842 93 R HN -0.335 7.860 8.270 0.017 0.086 0.430 94 I N -2.675 117.825 120.570 -0.116 0.000 2.286 94 I HA -0.414 3.756 4.170 -0.000 0.000 0.248 94 I C 1.330 177.330 176.117 -0.194 0.000 1.115 94 I CA 3.839 65.063 61.300 -0.127 0.000 1.392 94 I CB -0.358 37.577 38.000 -0.107 0.000 1.065 94 I HN -0.196 7.951 8.210 -0.105 0.000 0.418 95 S N 0.600 116.092 115.700 -0.347 0.000 2.400 95 S HA -0.444 4.026 4.470 -0.000 0.000 0.232 95 S C 2.053 176.529 174.600 -0.207 0.000 1.025 95 S CA 3.419 61.390 58.200 -0.381 0.000 0.993 95 S CB -0.251 62.561 63.200 -0.647 0.000 0.808 95 S HN 0.254 8.299 8.310 -0.440 0.001 0.478 96 A N 1.147 123.873 122.820 -0.157 0.000 1.873 96 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 96 A C 2.311 179.860 177.584 -0.057 0.000 1.186 96 A CA 3.084 55.067 52.037 -0.090 0.000 0.616 96 A CB -0.878 18.092 19.000 -0.051 0.000 0.823 96 A HN 0.152 7.994 8.150 -0.169 0.207 0.442 97 Q N -1.862 117.905 119.800 -0.055 0.000 2.135 97 Q HA -0.377 3.963 4.340 -0.000 0.000 0.204 97 Q C 2.745 178.723 176.000 -0.036 0.000 0.981 97 Q CA 2.510 58.292 55.803 -0.035 0.000 0.856 97 Q CB -0.735 27.984 28.738 -0.032 0.000 0.902 97 Q HN -0.271 7.959 8.270 -0.068 0.000 0.425 98 Q N -0.301 119.465 119.800 -0.057 0.000 1.985 98 Q HA -0.447 3.893 4.340 -0.000 0.000 0.207 98 Q C 2.048 178.039 176.000 -0.015 0.000 0.996 98 Q CA 3.502 59.276 55.803 -0.048 0.000 0.851 98 Q CB -0.386 28.312 28.738 -0.068 0.000 0.921 98 Q HN 0.197 8.418 8.270 -0.082 0.000 0.418 99 E N -0.677 119.529 120.200 0.010 0.000 2.097 99 E HA -0.405 3.945 4.350 -0.000 0.000 0.196 99 E C 2.246 178.910 176.600 0.108 0.000 1.000 99 E CA 3.092 59.556 56.400 0.107 0.000 0.804 99 E CB -0.316 29.426 29.700 0.070 0.000 0.740 99 E HN -0.644 7.701 8.360 -0.025 0.000 0.454 100 K N -1.206 119.215 120.400 0.036 0.000 2.026 100 K HA -0.328 3.992 4.320 -0.000 0.000 0.208 100 K C 2.785 179.390 176.600 0.009 0.000 1.048 100 K CA 3.181 59.482 56.287 0.024 0.000 0.929 100 K CB -0.071 32.432 32.500 0.004 0.000 0.713 100 K HN -0.677 7.574 8.250 0.010 0.005 0.439 101 V N -1.269 118.637 119.914 -0.013 0.000 2.626 101 V HA -0.273 3.847 4.120 -0.000 0.000 0.252 101 V C 1.621 177.674 176.094 -0.069 0.000 1.067 101 V CA 2.943 65.223 62.300 -0.034 0.000 1.081 101 V CB -0.432 31.369 31.823 -0.037 0.000 0.686 101 V HN 0.233 8.415 8.190 -0.014 0.000 0.468 102 T N -0.356 114.136 114.554 -0.103 0.000 2.901 102 T HA -0.100 4.250 4.350 -0.000 0.000 0.252 102 T C 1.123 175.609 174.700 -0.356 0.000 1.035 102 T CA 2.114 64.061 62.100 -0.255 0.000 1.142 102 T CB 0.478 69.127 68.868 -0.366 0.000 0.869 102 T HN -0.171 8.013 8.240 -0.061 0.019 0.442 103 Y N -0.664 119.615 120.300 -0.034 0.000 2.500 103 Y HA 0.163 4.713 4.550 -0.000 0.000 0.270 103 Y C 1.110 176.990 175.900 -0.034 0.000 1.134 103 Y CA 0.601 58.681 58.100 -0.034 0.000 1.293 103 Y CB 0.653 39.090 38.460 -0.038 0.000 1.063 103 Y HN 0.200 8.486 8.280 0.010 0.000 0.534 104 G N -1.954 106.883 108.800 0.061 0.000 2.179 104 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.260 104 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.260 104 G C -0.693 174.224 174.900 0.029 0.000 0.977 104 G CA 0.104 45.222 45.100 0.030 0.000 0.641 104 G HN -0.069 8.113 8.290 0.035 0.129 0.533 105 S N -1.782 113.951 115.700 0.054 0.000 2.578 105 S HA 0.032 4.502 4.470 -0.000 0.000 0.285 105 S C -1.754 172.842 174.600 -0.005 0.000 1.126 105 S CA -0.273 57.929 58.200 0.003 0.000 0.878 105 S CB 1.492 64.678 63.200 -0.023 0.000 1.091 105 S HN -0.471 7.840 8.310 0.118 0.070 0.450 106 L N 7.773 128.969 121.223 -0.044 0.000 2.356 106 L HA 0.247 4.587 4.340 -0.000 0.000 0.282 106 L C -1.424 175.393 176.870 -0.088 0.000 1.132 106 L CA -0.610 54.194 54.840 -0.061 0.000 0.923 106 L CB -1.102 40.924 42.059 -0.054 0.000 1.278 106 L HN 0.241 8.435 8.230 -0.060 0.000 0.436 107 V N 6.685 126.537 119.914 -0.103 0.000 2.323 107 V HA -0.014 4.106 4.120 -0.000 0.000 0.244 107 V C -1.122 174.915 176.094 -0.097 0.000 1.041 107 V CA 1.794 64.031 62.300 -0.105 0.000 1.025 107 V CB 0.558 32.306 31.823 -0.125 0.000 0.656 107 V HN -0.252 7.870 8.190 -0.114 0.000 0.451 108 N N -3.258 115.373 118.700 -0.115 0.000 2.491 108 N HA 0.208 4.948 4.740 -0.000 0.000 0.274 108 N C 0.660 176.090 175.510 -0.133 0.000 1.023 108 N CA -1.270 51.719 53.050 -0.102 0.000 0.902 108 N CB 1.103 39.529 38.487 -0.102 0.000 1.267 108 N HN -0.636 7.659 8.380 -0.141 0.000 0.503 109 I N 6.768 127.267 120.570 -0.119 0.000 2.454 109 I HA -0.397 3.773 4.170 -0.000 0.000 0.254 109 I C 0.182 176.078 176.117 -0.368 0.000 1.156 109 I CA 2.534 63.727 61.300 -0.178 0.000 1.433 109 I CB 0.359 38.312 38.000 -0.077 0.000 1.082 109 I HN -0.010 8.407 8.210 -0.069 -0.248 0.432 110 E N 0.069 120.023 120.200 -0.409 0.000 2.209 110 E HA -0.469 3.881 4.350 -0.000 0.000 0.196 110 E C 1.862 178.194 176.600 -0.447 0.000 0.993 110 E CA 3.464 59.455 56.400 -0.683 0.000 0.819 110 E CB -0.506 29.011 29.700 -0.306 0.000 0.745 110 E HN 0.393 8.901 8.360 -0.227 -0.284 0.477 111 N N -0.396 118.130 118.700 -0.289 0.000 2.171 111 N HA -0.230 4.510 4.740 -0.000 0.000 0.184 111 N C 1.941 177.304 175.510 -0.246 0.000 1.021 111 N CA 2.971 55.890 53.050 -0.218 0.000 0.854 111 N CB 0.154 38.540 38.487 -0.168 0.000 0.994 111 N HN -0.666 7.437 8.380 -0.248 0.128 0.426 112 L N -0.078 120.972 121.223 -0.289 0.000 1.990 112 L HA -0.318 4.022 4.340 -0.000 0.000 0.213 112 L C 1.506 178.116 176.870 -0.433 0.000 1.072 112 L CA 3.216 57.865 54.840 -0.319 0.000 0.755 112 L CB -0.288 41.572 42.059 -0.332 0.000 0.889 112 L HN -0.606 7.373 8.230 -0.280 0.082 0.432 113 V N -1.490 118.056 119.914 -0.614 0.000 2.343 113 V HA -0.546 3.574 4.120 -0.000 0.000 0.247 113 V C 1.471 177.376 176.094 -0.314 0.000 1.051 113 V CA 4.232 66.121 62.300 -0.684 0.000 1.036 113 V CB -0.676 30.706 31.823 -0.735 0.000 0.654 113 V HN -0.338 7.481 8.190 -0.619 0.000 0.451 114 K N -0.552 119.698 120.400 -0.250 0.000 2.063 114 K HA -0.450 3.870 4.320 -0.000 0.000 0.208 114 K C 1.951 178.521 176.600 -0.051 0.000 1.048 114 K CA 4.009 60.227 56.287 -0.114 0.000 0.928 114 K CB -0.429 32.013 32.500 -0.096 0.000 0.713 114 K HN -0.348 7.642 8.250 -0.320 0.068 0.442 115 R N -0.831 119.636 120.500 -0.055 0.000 2.081 115 R HA -0.275 4.065 4.340 -0.000 0.000 0.235 115 R C 2.152 178.553 176.300 0.167 0.000 1.131 115 R CA 3.370 59.500 56.100 0.050 0.000 0.960 115 R CB -0.000 30.316 30.300 0.027 0.000 0.856 115 R HN -0.170 8.030 8.270 -0.118 0.000 0.436 116 V N -1.030 118.968 119.914 0.139 0.000 2.515 116 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 116 V C 1.163 177.279 176.094 0.036 0.000 1.058 116 V CA 2.893 65.322 62.300 0.215 0.000 1.064 116 V CB -0.608 31.344 31.823 0.215 0.000 0.675 116 V HN -0.505 7.682 8.190 -0.005 0.000 0.461 117 A N -0.621 122.215 122.820 0.025 0.000 1.930 117 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 117 A C 1.759 179.355 177.584 0.019 0.000 1.175 117 A CA 3.434 55.484 52.037 0.022 0.000 0.627 117 A CB -0.677 18.345 19.000 0.036 0.000 0.815 117 A HN 0.527 8.587 8.150 0.003 0.092 0.443 118 D N -1.085 119.335 120.400 0.033 0.000 2.178 118 D HA -0.253 4.387 4.640 -0.000 0.000 0.202 118 D C 2.531 178.863 176.300 0.053 0.000 0.974 118 D CA 3.312 57.344 54.000 0.053 0.000 0.841 118 D CB -0.608 40.230 40.800 0.064 0.000 0.953 118 D HN 0.151 8.542 8.370 0.035 0.000 0.478 119 Q N -0.236 119.554 119.800 -0.018 0.000 2.061 119 Q HA -0.284 4.056 4.340 -0.000 0.000 0.204 119 Q C 2.463 178.445 176.000 -0.030 0.000 0.984 119 Q CA 2.938 58.672 55.803 -0.115 0.000 0.846 119 Q CB -0.121 28.287 28.738 -0.550 0.000 0.902 119 Q HN -0.542 7.717 8.270 -0.007 0.006 0.421 120 M N -1.278 118.239 119.600 -0.138 0.000 2.117 120 M HA -0.360 4.120 4.480 -0.000 0.000 0.262 120 M C 2.506 178.893 176.300 0.146 0.000 1.065 120 M CA 3.741 59.003 55.300 -0.063 0.000 1.114 120 M CB -0.185 32.347 32.600 -0.114 0.000 1.361 120 M HN -0.579 7.603 8.290 -0.180 0.000 0.408 121 Q N -0.535 119.333 119.800 0.113 0.000 2.096 121 Q HA -0.334 4.006 4.340 -0.000 0.000 0.204 121 Q C 2.790 178.902 176.000 0.187 0.000 0.982 121 Q CA 3.259 59.136 55.803 0.125 0.000 0.850 121 Q CB -0.517 28.275 28.738 0.090 0.000 0.901 121 Q HN -0.005 8.244 8.270 0.065 0.060 0.422 122 Q N -0.703 119.251 119.800 0.257 0.000 2.112 122 Q HA -0.341 3.999 4.340 -0.000 0.000 0.206 122 Q C 2.144 178.345 176.000 0.334 0.000 0.987 122 Q CA 3.318 59.324 55.803 0.339 0.000 0.858 122 Q CB -0.158 28.745 28.738 0.276 0.000 0.905 122 Q HN -0.065 8.343 8.270 0.230 0.000 0.420 123 Y N -3.876 116.526 120.300 0.169 0.000 2.632 123 Y HA -0.115 4.435 4.550 -0.000 0.000 0.301 123 Y C 1.168 177.109 175.900 0.069 0.000 1.172 123 Y CA 1.480 59.660 58.100 0.133 0.000 1.328 123 Y CB -1.031 37.517 38.460 0.145 0.000 1.016 123 Y HN -0.627 8.121 8.280 0.783 0.002 0.529 124 T N -1.153 113.507 114.554 0.177 0.000 3.043 124 T HA -0.047 4.303 4.350 -0.000 0.000 0.263 124 T C 0.301 174.965 174.700 -0.060 0.000 1.094 124 T CA 2.325 64.454 62.100 0.048 0.000 1.127 124 T CB 0.006 68.892 68.868 0.032 0.000 0.905 124 T HN 0.054 8.196 8.240 0.213 0.226 0.490 125 Q N -3.486 116.263 119.800 -0.086 0.000 2.254 125 Q HA 0.074 4.414 4.340 -0.000 0.000 0.259 125 Q C 1.700 177.526 176.000 -0.290 0.000 0.815 125 Q CA 0.275 55.937 55.803 -0.234 0.000 0.961 125 Q CB 1.746 30.293 28.738 -0.318 0.000 1.140 125 Q HN -0.469 7.659 8.270 -0.005 0.139 0.502 126 Y N 3.465 123.710 120.300 -0.092 0.000 3.127 126 Y HA -0.328 4.222 4.550 -0.000 0.000 0.387 126 Y C 0.675 176.507 175.900 -0.114 0.000 1.029 126 Y CA 0.358 58.388 58.100 -0.116 0.000 1.905 126 Y CB -2.499 35.861 38.460 -0.166 0.000 2.007 126 Y HN -0.182 8.112 8.280 0.024 0.000 0.435 127 G N 1.930 110.719 108.800 -0.018 0.000 2.672 127 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.324 127 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.324 127 G C 0.478 175.372 174.900 -0.010 0.000 1.286 127 G CA -0.350 44.741 45.100 -0.016 0.000 1.004 127 G HN -0.041 8.111 8.290 -0.085 0.087 0.548 128 G N 0.575 109.371 108.800 -0.008 0.000 2.641 128 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.278 128 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.278 128 G C -1.345 173.544 174.900 -0.018 0.000 0.655 128 G CA 0.576 45.670 45.100 -0.011 0.000 2.105 128 G HN 0.005 8.294 8.290 -0.002 0.000 0.558 129 V N 1.329 121.238 119.914 -0.007 0.000 3.036 129 V HA 0.081 4.201 4.120 -0.000 0.000 0.280 129 V C -2.477 173.653 176.094 0.060 0.000 1.497 129 V CA -0.475 61.832 62.300 0.011 0.000 0.982 129 V CB 3.374 35.163 31.823 -0.055 0.000 1.171 129 V HN -0.236 7.906 8.190 0.000 0.048 0.444 130 R N 5.582 126.117 120.500 0.059 0.000 2.340 130 R HA 0.495 4.835 4.340 -0.000 0.000 0.300 130 R C -2.012 174.313 176.300 0.043 0.000 1.069 130 R CA -1.836 54.287 56.100 0.039 0.000 0.984 130 R CB 0.866 31.161 30.300 -0.008 0.000 1.003 130 R HN 0.173 8.466 8.270 0.038 0.000 0.459 131 P HA -0.042 4.378 4.420 -0.000 0.000 0.269 131 P C -1.943 175.344 177.300 -0.023 0.000 1.215 131 P CA -0.113 63.041 63.100 0.089 0.000 0.780 131 P CB 0.642 32.404 31.700 0.103 0.000 0.898 132 Y N -0.423 119.819 120.300 -0.096 0.000 2.465 132 Y HA -0.154 4.396 4.550 -0.000 0.000 0.331 132 Y C 1.184 177.059 175.900 -0.043 0.000 1.102 132 Y CA 1.383 59.416 58.100 -0.112 0.000 1.358 132 Y CB 0.105 38.459 38.460 -0.177 0.000 1.213 132 Y HN 0.207 8.662 8.280 0.290 0.000 0.525 133 G N 4.389 113.240 108.800 0.086 0.000 3.714 133 G HA2 0.057 4.017 3.960 -0.000 0.000 0.276 133 G HA3 0.057 4.017 3.960 -0.000 0.000 0.276 133 G C -2.861 172.076 174.900 0.062 0.000 1.058 133 G CA -0.458 44.682 45.100 0.068 0.000 1.700 133 G HN 0.717 9.374 8.290 0.041 -0.342 0.605 134 V N 0.731 120.686 119.914 0.067 0.000 3.147 134 V HA 0.707 4.827 4.120 -0.000 0.000 0.299 134 V C -2.834 173.271 176.094 0.018 0.000 1.302 134 V CA -1.400 60.922 62.300 0.035 0.000 1.015 134 V CB 3.435 35.279 31.823 0.034 0.000 1.086 134 V HN -0.757 7.438 8.190 0.085 0.046 0.437 135 S N 2.892 118.588 115.700 -0.006 0.000 2.536 135 S HA 0.995 5.465 4.470 -0.000 0.000 0.287 135 S C -2.171 172.392 174.600 -0.062 0.000 1.101 135 S CA -1.476 56.715 58.200 -0.015 0.000 0.950 135 S CB 3.450 66.648 63.200 -0.003 0.000 1.056 135 S HN 0.834 9.026 8.310 -0.014 0.110 0.481 136 L N -2.047 119.121 121.223 -0.091 0.000 2.479 136 L HA 1.041 5.381 4.340 -0.000 0.000 0.255 136 L C -2.183 174.553 176.870 -0.224 0.000 1.026 136 L CA -0.899 53.815 54.840 -0.209 0.000 0.842 136 L CB 3.310 45.160 42.059 -0.348 0.000 1.444 136 L HN 0.634 8.839 8.230 -0.042 0.000 0.409 137 I N -6.646 113.745 120.570 -0.298 0.000 2.582 137 I HA 0.784 4.954 4.170 -0.000 0.000 0.292 137 I C -2.000 173.969 176.117 -0.246 0.000 1.066 137 I CA -1.866 59.346 61.300 -0.147 0.000 1.053 137 I CB 3.462 41.426 38.000 -0.060 0.000 1.241 137 I HN 0.645 8.660 8.210 -0.326 0.000 0.421 138 F N 4.827 124.843 119.950 0.110 0.000 2.469 138 F HA 0.839 5.366 4.527 -0.000 0.000 0.332 138 F C -1.600 174.309 175.800 0.181 0.000 1.103 138 F CA -1.979 56.088 58.000 0.111 0.000 0.979 138 F CB 3.135 42.183 39.000 0.079 0.000 1.137 138 F HN 0.143 8.714 8.300 0.451 0.000 0.463 139 A N 1.289 124.323 122.820 0.357 0.000 2.549 139 A HA 0.928 5.248 4.320 -0.000 0.000 0.297 139 A C -1.622 176.183 177.584 0.368 0.000 1.061 139 A CA -0.930 51.299 52.037 0.320 0.000 0.690 139 A CB 3.440 22.586 19.000 0.242 0.000 1.287 139 A HN 0.820 9.168 8.150 0.329 0.000 0.402 140 G N -0.039 108.923 108.800 0.269 0.000 2.320 140 G HA2 0.230 4.190 3.960 -0.000 0.000 0.297 140 G HA3 0.230 4.190 3.960 -0.000 0.000 0.297 140 G C -3.141 171.821 174.900 0.103 0.000 1.344 140 G CA 0.757 45.983 45.100 0.211 0.000 0.851 140 G HN 0.307 8.729 8.290 0.219 0.000 0.567 141 I N 0.483 121.089 120.570 0.061 0.000 2.377 141 I HA 0.701 4.871 4.170 -0.000 0.000 0.293 141 I C -2.277 173.878 176.117 0.064 0.000 0.987 141 I CA -2.756 58.570 61.300 0.043 0.000 1.185 141 I CB 1.730 39.729 38.000 -0.002 0.000 1.341 141 I HN -0.344 7.915 8.210 0.081 0.000 0.455 142 D N 7.499 127.921 120.400 0.037 0.000 2.650 142 D HA 0.338 4.978 4.640 -0.000 0.000 0.255 142 D C -0.023 176.266 176.300 -0.018 0.000 1.135 142 D CA -1.175 52.827 54.000 0.003 0.000 1.099 142 D CB 1.643 42.446 40.800 0.004 0.000 1.273 142 D HN 0.298 8.595 8.370 0.040 0.097 0.628 143 Q N -0.964 118.813 119.800 -0.039 0.000 2.248 143 Q HA -0.259 4.081 4.340 -0.000 0.000 0.208 143 Q C 1.339 177.325 176.000 -0.023 0.000 0.984 143 Q CA 2.503 58.282 55.803 -0.040 0.000 0.875 143 Q CB -0.098 28.609 28.738 -0.052 0.000 0.910 143 Q HN -0.098 8.142 8.270 -0.049 0.000 0.433 144 I N -4.482 116.082 120.570 -0.010 0.000 2.480 144 I HA -0.083 4.087 4.170 -0.000 0.000 0.251 144 I C 0.461 176.580 176.117 0.002 0.000 1.124 144 I CA 0.840 62.140 61.300 0.000 0.000 1.444 144 I CB 1.048 39.058 38.000 0.017 0.000 1.098 144 I HN -0.115 8.392 8.210 -0.007 -0.301 0.428 145 G N -3.246 105.558 108.800 0.007 0.000 2.350 145 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.282 145 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.282 145 G C -3.374 171.528 174.900 0.003 0.000 1.314 145 G CA -0.277 44.821 45.100 -0.003 0.000 0.915 145 G HN -0.476 7.986 8.290 0.011 -0.165 0.499 146 P HA 0.154 4.574 4.420 -0.000 0.000 0.268 146 P C -1.764 175.548 177.300 0.020 0.000 1.204 146 P CA 0.338 63.417 63.100 -0.036 0.000 0.768 146 P CB 0.193 31.821 31.700 -0.120 0.000 0.842 147 R N 0.697 121.249 120.500 0.085 0.000 2.744 147 R HA 0.666 5.006 4.340 -0.000 0.000 0.279 147 R C -2.154 174.276 176.300 0.216 0.000 0.977 147 R CA -1.405 54.800 56.100 0.175 0.000 0.906 147 R CB 4.215 34.733 30.300 0.364 0.000 1.197 147 R HN 0.773 8.992 8.270 0.089 0.105 0.463 148 L N 1.695 122.985 121.223 0.112 0.000 2.476 148 L HA 0.683 5.023 4.340 -0.000 0.000 0.269 148 L C -2.449 174.435 176.870 0.023 0.000 0.965 148 L CA -0.258 54.670 54.840 0.147 0.000 0.845 148 L CB 3.247 45.337 42.059 0.051 0.000 1.259 148 L HN 0.125 8.288 8.230 -0.111 0.000 0.403 149 F N 5.235 125.305 119.950 0.199 0.000 2.620 149 F HA 0.872 5.399 4.527 -0.000 0.000 0.320 149 F C -1.843 174.098 175.800 0.236 0.000 1.069 149 F CA -1.782 56.367 58.000 0.249 0.000 0.953 149 F CB 4.365 43.492 39.000 0.211 0.000 1.322 149 F HN 0.931 9.580 8.300 0.582 0.000 0.479 150 D N -1.143 119.522 120.400 0.441 0.000 2.477 150 D HA 0.664 5.304 4.640 -0.000 0.000 0.234 150 D C -2.231 174.240 176.300 0.285 0.000 1.048 150 D CA -2.233 51.916 54.000 0.249 0.000 0.959 150 D CB 3.482 44.322 40.800 0.067 0.000 1.408 150 D HN 0.127 8.813 8.370 0.527 0.000 0.496 151 C N -0.612 118.800 119.300 0.186 0.000 2.752 151 C HA 0.578 5.038 4.460 -0.000 0.000 0.360 151 C C -1.990 173.058 174.990 0.097 0.000 1.081 151 C CA -1.053 58.070 59.018 0.174 0.000 1.272 151 C CB 2.565 30.454 27.740 0.248 0.000 1.754 151 C HN 0.504 8.799 8.230 0.109 0.000 0.483 152 D N 6.758 127.212 120.400 0.089 0.000 2.440 152 D HA 0.548 5.188 4.640 -0.000 0.000 0.258 152 D C -1.153 175.182 176.300 0.058 0.000 1.092 152 D CA -2.720 51.318 54.000 0.064 0.000 1.016 152 D CB -0.462 40.377 40.800 0.067 0.000 1.141 152 D HN -0.257 8.176 8.370 0.105 0.000 0.552 153 P HA -0.185 4.235 4.420 -0.000 0.000 0.218 153 P C -0.453 176.888 177.300 0.069 0.000 1.146 153 P CA 2.406 65.547 63.100 0.067 0.000 0.813 153 P CB -0.181 31.562 31.700 0.072 0.000 0.778 154 A N -5.697 117.159 122.820 0.060 0.000 2.119 154 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 154 A C 0.638 178.257 177.584 0.059 0.000 1.152 154 A CA 0.556 52.626 52.037 0.055 0.000 0.708 154 A CB -0.431 18.596 19.000 0.046 0.000 0.805 154 A HN -0.219 8.023 8.150 0.058 -0.057 0.460 155 G N -3.331 105.505 108.800 0.060 0.000 2.159 155 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.227 155 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.227 155 G C -0.207 174.734 174.900 0.069 0.000 0.986 155 G CA -0.134 45.002 45.100 0.059 0.000 0.651 155 G HN -0.218 8.025 8.290 0.060 0.083 0.523 156 T N 2.392 116.991 114.554 0.075 0.000 2.919 156 T HA 0.074 4.424 4.350 -0.000 0.000 0.302 156 T C -1.372 173.396 174.700 0.114 0.000 1.031 156 T CA 1.590 63.739 62.100 0.083 0.000 1.127 156 T CB 0.973 69.887 68.868 0.077 0.000 0.952 156 T HN -0.097 8.434 8.240 0.072 -0.247 0.540 157 I N 3.132 123.776 120.570 0.124 0.000 2.619 157 I HA 0.528 4.698 4.170 -0.000 0.000 0.292 157 I C -2.428 173.801 176.117 0.187 0.000 1.100 157 I CA -1.885 59.527 61.300 0.186 0.000 1.043 157 I CB 3.113 41.218 38.000 0.174 0.000 1.239 157 I HN 0.053 8.323 8.210 0.100 0.000 0.420 158 N N 7.209 126.055 118.700 0.243 0.000 2.494 158 N HA 0.263 5.003 4.740 -0.000 0.000 0.270 158 N C -2.790 172.703 175.510 -0.027 0.000 1.285 158 N CA -0.609 52.469 53.050 0.048 0.000 0.812 158 N CB 3.980 42.360 38.487 -0.180 0.000 1.557 158 N HN 0.046 8.755 8.380 0.344 -0.124 0.487 159 E N 0.599 120.574 120.200 -0.376 0.000 2.179 159 E HA 0.556 4.906 4.350 -0.000 0.000 0.275 159 E C -1.391 174.915 176.600 -0.490 0.000 0.945 159 E CA -1.142 54.839 56.400 -0.699 0.000 0.792 159 E CB 1.699 30.826 29.700 -0.955 0.000 1.125 159 E HN 0.051 8.209 8.360 -0.337 0.000 0.397 160 Y N 5.465 125.567 120.300 -0.330 0.000 2.659 160 Y HA 0.205 4.755 4.550 -0.000 0.000 0.333 160 Y C -1.200 174.585 175.900 -0.192 0.000 1.064 160 Y CA -1.205 56.772 58.100 -0.206 0.000 1.141 160 Y CB 2.183 40.548 38.460 -0.158 0.000 1.316 160 Y HN 0.193 8.412 8.280 -0.101 0.000 0.509 161 K N -1.379 119.030 120.400 0.014 0.000 2.308 161 K HA -0.014 4.306 4.320 -0.000 0.000 0.197 161 K C -1.388 175.081 176.600 -0.218 0.000 1.049 161 K CA 0.067 56.315 56.287 -0.065 0.000 0.991 161 K CB 1.108 33.583 32.500 -0.041 0.000 0.836 161 K HN 0.273 8.558 8.250 0.058 0.000 0.500 162 A N -5.457 117.219 122.820 -0.240 0.000 2.586 162 A HA 0.368 4.688 4.320 -0.000 0.000 0.296 162 A C -1.840 175.592 177.584 -0.253 0.000 1.040 162 A CA -0.161 51.680 52.037 -0.326 0.000 0.701 162 A CB 1.762 20.322 19.000 -0.735 0.000 1.277 162 A HN -0.757 7.341 8.150 -0.087 0.000 0.413 163 T N -0.228 114.162 114.554 -0.274 0.000 2.686 163 T HA 0.259 4.609 4.350 -0.000 0.000 0.308 163 T C -2.581 171.960 174.700 -0.266 0.000 1.667 163 T CA 0.169 62.051 62.100 -0.363 0.000 0.987 163 T CB 2.106 70.458 68.868 -0.859 0.000 1.652 163 T HN 0.640 8.747 8.240 -0.221 0.000 0.496 164 A N 0.113 122.786 122.820 -0.245 0.000 2.524 164 A HA 1.044 5.364 4.320 -0.000 0.000 0.289 164 A C -2.838 174.655 177.584 -0.152 0.000 1.248 164 A CA -1.039 50.898 52.037 -0.166 0.000 0.712 164 A CB 2.907 21.836 19.000 -0.118 0.000 1.312 164 A HN 0.087 8.067 8.150 -0.283 0.000 0.441 165 I N -2.504 118.002 120.570 -0.107 0.000 3.099 165 I HA 0.244 4.414 4.170 -0.000 0.000 0.308 165 I C -1.803 174.278 176.117 -0.060 0.000 1.405 165 I CA -1.317 59.934 61.300 -0.082 0.000 0.953 165 I CB 3.986 41.932 38.000 -0.089 0.000 1.324 165 I HN 0.743 8.894 8.210 -0.098 0.000 0.495 166 G N 2.210 110.984 108.800 -0.042 0.000 2.451 166 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.208 166 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.208 166 G C 0.020 174.909 174.900 -0.019 0.000 1.248 166 G CA 0.149 45.230 45.100 -0.031 0.000 0.989 166 G HN -0.357 7.912 8.290 -0.036 0.000 0.559 167 S N 3.374 119.064 115.700 -0.017 0.000 2.349 167 S HA -0.156 4.314 4.470 -0.000 0.000 0.216 167 S C 2.360 176.956 174.600 -0.007 0.000 1.033 167 S CA 2.656 60.851 58.200 -0.009 0.000 1.021 167 S CB -0.042 63.152 63.200 -0.009 0.000 0.968 167 S HN -0.022 8.275 8.310 -0.021 0.000 0.426 168 G N -0.322 108.471 108.800 -0.011 0.000 3.414 168 G HA2 0.076 4.036 3.960 -0.000 0.000 0.258 168 G HA3 0.076 4.036 3.960 -0.000 0.000 0.258 168 G C -0.492 174.402 174.900 -0.010 0.000 1.348 168 G CA -0.767 44.330 45.100 -0.006 0.000 1.319 168 G HN 0.379 8.659 8.290 -0.017 0.000 0.555 169 K N 1.897 122.289 120.400 -0.014 0.000 1.969 169 K HA -0.359 3.961 4.320 -0.000 0.000 0.216 169 K C 0.834 177.431 176.600 -0.006 0.000 1.048 169 K CA 3.762 60.036 56.287 -0.022 0.000 0.948 169 K CB -0.115 32.370 32.500 -0.025 0.000 0.726 169 K HN -0.521 7.622 8.250 -0.012 0.100 0.442 170 D N -0.970 119.435 120.400 0.007 0.000 2.157 170 D HA -0.383 4.257 4.640 -0.000 0.000 0.191 170 D C 1.860 178.179 176.300 0.032 0.000 1.004 170 D CA 3.497 57.509 54.000 0.020 0.000 0.854 170 D CB -0.949 39.865 40.800 0.023 0.000 0.936 170 D HN 0.376 8.750 8.370 0.006 0.000 0.446 171 A N -0.829 122.011 122.820 0.034 0.000 1.845 171 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 171 A C 2.148 179.782 177.584 0.084 0.000 1.195 171 A CA 2.889 54.959 52.037 0.055 0.000 0.616 171 A CB -0.758 18.271 19.000 0.049 0.000 0.832 171 A HN -0.127 8.029 8.150 0.024 0.008 0.443 172 V N -0.616 119.329 119.914 0.051 0.000 2.407 172 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 172 V C 1.458 177.588 176.094 0.061 0.000 1.055 172 V CA 3.592 65.917 62.300 0.041 0.000 1.049 172 V CB -0.449 31.352 31.823 -0.035 0.000 0.662 172 V HN -0.387 7.818 8.190 0.024 0.000 0.455 173 V N -0.252 119.681 119.914 0.032 0.000 2.343 173 V HA -0.524 3.596 4.120 -0.000 0.000 0.247 173 V C 1.455 177.595 176.094 0.077 0.000 1.051 173 V CA 4.538 66.853 62.300 0.026 0.000 1.036 173 V CB -0.811 31.015 31.823 0.004 0.000 0.654 173 V HN 0.749 8.831 8.190 0.017 0.118 0.451 174 S N 1.023 116.778 115.700 0.091 0.000 2.356 174 S HA -0.325 4.145 4.470 -0.000 0.000 0.223 174 S C 1.720 176.407 174.600 0.146 0.000 1.032 174 S CA 4.142 62.398 58.200 0.093 0.000 1.005 174 S CB -0.300 62.940 63.200 0.067 0.000 0.867 174 S HN -0.523 7.835 8.310 0.079 0.000 0.449 175 F N 2.931 122.893 119.950 0.020 0.000 2.065 175 F HA -0.375 4.152 4.527 -0.000 0.000 0.298 175 F C 1.152 176.982 175.800 0.051 0.000 1.112 175 F CA 3.157 61.175 58.000 0.030 0.000 1.212 175 F CB 0.021 39.035 39.000 0.023 0.000 0.975 175 F HN -0.481 7.984 8.300 0.275 0.000 0.476 176 L N -1.916 119.571 121.223 0.440 0.000 2.017 176 L HA -0.414 3.926 4.340 -0.000 0.000 0.208 176 L C 2.352 179.372 176.870 0.251 0.000 1.073 176 L CA 2.523 57.558 54.840 0.326 0.000 0.745 176 L CB -1.667 40.465 42.059 0.122 0.000 0.894 176 L HN -0.134 8.296 8.230 0.332 0.000 0.432 177 E N -0.790 119.504 120.200 0.157 0.000 2.233 177 E HA -0.349 4.001 4.350 -0.000 0.000 0.199 177 E C 1.938 178.605 176.600 0.111 0.000 1.004 177 E CA 2.794 59.262 56.400 0.114 0.000 0.819 177 E CB -0.177 29.570 29.700 0.080 0.000 0.738 177 E HN -0.093 8.240 8.360 0.141 0.111 0.478 178 R N -2.213 118.348 120.500 0.102 0.000 2.102 178 R HA 0.028 4.368 4.340 -0.000 0.000 0.208 178 R C 1.980 178.318 176.300 0.062 0.000 1.131 178 R CA 1.597 57.723 56.100 0.043 0.000 1.054 178 R CB 1.295 31.569 30.300 -0.043 0.000 0.954 178 R HN -0.341 7.855 8.270 0.124 0.149 0.465 179 E N -1.770 118.491 120.200 0.102 0.000 2.419 179 E HA -0.019 4.331 4.350 -0.000 0.000 0.190 179 E C -0.955 175.791 176.600 0.243 0.000 1.040 179 E CA -0.394 56.093 56.400 0.146 0.000 0.900 179 E CB 0.596 30.368 29.700 0.119 0.000 1.054 179 E HN -0.014 8.314 8.360 0.127 0.108 0.462 180 Y N 2.404 122.785 120.300 0.135 0.000 2.402 180 Y HA -0.188 4.362 4.550 -0.000 0.000 0.333 180 Y C -1.298 174.651 175.900 0.083 0.000 1.076 180 Y CA 0.863 59.030 58.100 0.112 0.000 1.299 180 Y CB 0.393 38.910 38.460 0.096 0.000 1.197 180 Y HN -0.359 8.058 8.280 0.330 0.060 0.517 181 K N 9.162 129.174 120.400 -0.647 0.000 2.293 181 K HA 0.150 4.470 4.320 -0.000 0.000 0.267 181 K C 0.314 176.444 176.600 -0.783 0.000 1.010 181 K CA -2.173 53.808 56.287 -0.509 0.000 0.875 181 K CB 1.111 33.472 32.500 -0.232 0.000 1.106 181 K HN 0.201 8.109 8.250 -0.569 0.000 0.450 182 E N 7.043 126.945 120.200 -0.496 0.000 2.059 182 E HA -0.463 3.887 4.350 -0.000 0.000 0.237 182 E C 0.872 177.395 176.600 -0.128 0.000 1.023 182 E CA 3.002 59.255 56.400 -0.245 0.000 0.918 182 E CB 0.164 29.829 29.700 -0.058 0.000 0.824 182 E HN 0.636 8.802 8.360 -0.323 0.000 0.534 183 N N -0.406 118.263 118.700 -0.052 0.000 2.758 183 N HA -0.031 4.709 4.740 -0.000 0.000 0.293 183 N C -1.332 174.198 175.510 0.034 0.000 1.273 183 N CA -0.560 52.504 53.050 0.022 0.000 1.022 183 N CB -0.176 38.330 38.487 0.031 0.000 1.334 183 N HN 0.192 8.537 8.380 -0.057 0.000 0.519 184 L N 3.063 124.287 121.223 0.002 0.000 2.513 184 L HA 0.106 4.446 4.340 -0.000 0.000 0.272 184 L C -1.931 174.979 176.870 0.067 0.000 1.187 184 L CA -1.784 53.059 54.840 0.005 0.000 0.895 184 L CB 0.310 42.340 42.059 -0.048 0.000 1.147 184 L HN -0.620 7.494 8.230 -0.056 0.083 0.483 185 P HA 0.022 4.442 4.420 -0.000 0.000 0.268 185 P C 0.402 177.622 177.300 -0.134 0.000 1.205 185 P CA -0.199 62.917 63.100 0.027 0.000 0.771 185 P CB 0.724 32.438 31.700 0.023 0.000 0.858 186 E N 6.268 126.275 120.200 -0.321 0.000 2.119 186 E HA -0.522 3.828 4.350 -0.000 0.000 0.221 186 E C 1.928 178.333 176.600 -0.326 0.000 1.062 186 E CA 4.779 60.743 56.400 -0.727 0.000 0.894 186 E CB 0.023 29.407 29.700 -0.526 0.000 0.785 186 E HN 0.379 8.670 8.360 -0.115 0.000 0.472 187 K N -2.304 118.051 120.400 -0.074 0.000 2.059 187 K HA -0.356 3.964 4.320 -0.000 0.000 0.212 187 K C 2.531 179.196 176.600 0.108 0.000 1.050 187 K CA 3.373 59.736 56.287 0.127 0.000 0.927 187 K CB -0.454 32.135 32.500 0.149 0.000 0.714 187 K HN 0.094 8.313 8.250 -0.051 0.000 0.447 188 E N -1.467 118.743 120.200 0.017 0.000 2.107 188 E HA -0.277 4.073 4.350 -0.000 0.000 0.191 188 E C 2.135 178.722 176.600 -0.021 0.000 0.982 188 E CA 2.647 59.058 56.400 0.018 0.000 0.809 188 E CB -0.161 29.543 29.700 0.006 0.000 0.756 188 E HN -0.426 7.921 8.360 -0.014 0.004 0.459 189 A N 0.300 123.061 122.820 -0.099 0.000 1.883 189 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 189 A C 2.032 179.539 177.584 -0.128 0.000 1.186 189 A CA 3.324 55.299 52.037 -0.104 0.000 0.624 189 A CB -0.732 18.158 19.000 -0.183 0.000 0.822 189 A HN 0.203 8.195 8.150 -0.141 0.074 0.444 190 V N -2.628 117.150 119.914 -0.226 0.000 2.490 190 V HA -0.478 3.642 4.120 -0.000 0.000 0.250 190 V C 1.396 177.381 176.094 -0.182 0.000 1.061 190 V CA 4.082 66.189 62.300 -0.321 0.000 1.064 190 V CB -0.677 30.746 31.823 -0.667 0.000 0.670 190 V HN 0.405 8.435 8.190 -0.266 0.000 0.461 191 T N 3.981 118.526 114.554 -0.014 0.000 2.614 191 T HA -0.309 4.041 4.350 -0.000 0.000 0.263 191 T C 1.560 176.255 174.700 -0.009 0.000 1.055 191 T CA 5.006 67.152 62.100 0.076 0.000 1.162 191 T CB -0.642 68.305 68.868 0.133 0.000 0.863 191 T HN -0.591 7.555 8.240 0.010 0.100 0.414 192 L N 0.971 122.189 121.223 -0.009 0.000 2.089 192 L HA -0.412 3.928 4.340 -0.000 0.000 0.213 192 L C 1.589 178.368 176.870 -0.152 0.000 1.079 192 L CA 3.016 57.843 54.840 -0.022 0.000 0.758 192 L CB -0.701 41.385 42.059 0.044 0.000 0.891 192 L HN 0.244 8.477 8.230 0.005 0.000 0.433 193 G N -1.333 107.391 108.800 -0.127 0.000 2.484 193 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.215 193 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.215 193 G C 0.581 175.351 174.900 -0.217 0.000 1.219 193 G CA 1.970 46.966 45.100 -0.174 0.000 0.791 193 G HN 0.262 8.498 8.290 -0.089 0.001 0.550 194 I N 2.165 122.634 120.570 -0.169 0.000 2.399 194 I HA -0.513 3.657 4.170 -0.000 0.000 0.254 194 I C 1.284 177.315 176.117 -0.142 0.000 1.146 194 I CA 2.826 64.045 61.300 -0.136 0.000 1.412 194 I CB -0.117 37.837 38.000 -0.077 0.000 1.076 194 I HN 0.173 8.288 8.210 -0.160 0.000 0.432 195 K N 0.091 120.384 120.400 -0.179 0.000 2.001 195 K HA -0.361 3.959 4.320 -0.000 0.000 0.208 195 K C 1.670 177.995 176.600 -0.458 0.000 1.048 195 K CA 3.718 59.887 56.287 -0.196 0.000 0.932 195 K CB -0.062 32.371 32.500 -0.111 0.000 0.715 195 K HN 0.176 8.315 8.250 -0.157 0.017 0.437 196 A N -0.808 121.463 122.820 -0.915 0.000 1.908 196 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 196 A C 2.236 179.577 177.584 -0.405 0.000 1.181 196 A CA 3.023 54.361 52.037 -1.164 0.000 0.627 196 A CB -0.805 17.610 19.000 -0.974 0.000 0.818 196 A HN -0.021 7.605 8.150 -0.778 0.057 0.445 197 L N -1.858 119.200 121.223 -0.274 0.000 2.017 197 L HA -0.356 3.984 4.340 -0.000 0.000 0.208 197 L C 1.327 178.141 176.870 -0.094 0.000 1.073 197 L CA 2.910 57.662 54.840 -0.148 0.000 0.745 197 L CB -0.397 41.585 42.059 -0.128 0.000 0.894 197 L HN 0.325 8.373 8.230 -0.303 0.000 0.432 198 K N -1.487 118.857 120.400 -0.093 0.000 1.971 198 K HA -0.536 3.784 4.320 -0.000 0.000 0.221 198 K C 2.186 178.787 176.600 0.002 0.000 1.050 198 K CA 3.798 60.064 56.287 -0.035 0.000 0.967 198 K CB -0.182 32.306 32.500 -0.019 0.000 0.733 198 K HN -0.055 8.007 8.250 -0.129 0.110 0.445 199 S N -1.543 114.182 115.700 0.042 0.000 2.406 199 S HA -0.401 4.069 4.470 -0.000 0.000 0.242 199 S C 1.757 176.407 174.600 0.083 0.000 1.079 199 S CA 3.076 61.347 58.200 0.118 0.000 1.133 199 S CB -0.674 62.709 63.200 0.304 0.000 1.005 199 S HN -0.323 7.999 8.310 0.020 0.000 0.443 200 S N 1.992 117.727 115.700 0.059 0.000 2.534 200 S HA -0.281 4.189 4.470 -0.000 0.000 0.217 200 S C 1.848 176.461 174.600 0.021 0.000 1.097 200 S CA 2.392 60.616 58.200 0.039 0.000 1.288 200 S CB 0.199 63.405 63.200 0.010 0.000 1.109 200 S HN -0.667 7.671 8.310 0.043 -0.003 0.398 201 L N -0.243 120.981 121.223 0.002 0.000 2.265 201 L HA -0.131 4.209 4.340 -0.000 0.000 0.215 201 L C 2.299 179.171 176.870 0.004 0.000 1.117 201 L CA 1.624 56.463 54.840 -0.001 0.000 0.782 201 L CB -0.250 41.802 42.059 -0.012 0.000 0.914 201 L HN -0.580 7.645 8.230 -0.009 0.000 0.441 202 E N -1.166 119.039 120.200 0.009 0.000 2.506 202 E HA -0.162 4.188 4.350 -0.000 0.000 0.210 202 E C 1.209 177.819 176.600 0.017 0.000 1.325 202 E CA -0.013 56.395 56.400 0.013 0.000 1.273 202 E CB -2.321 27.388 29.700 0.016 0.000 1.276 202 E HN -0.015 8.301 8.360 0.010 0.049 0.442 203 E N 0.181 120.390 120.200 0.015 0.000 2.152 203 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 203 E C 0.873 177.479 176.600 0.011 0.000 0.983 203 E CA 1.390 57.799 56.400 0.015 0.000 0.818 203 E CB 0.031 29.738 29.700 0.013 0.000 0.758 203 E HN 0.122 8.371 8.360 0.013 0.118 0.467 204 G N -0.762 108.043 108.800 0.008 0.000 3.562 204 G HA2 0.037 3.997 3.960 -0.000 0.000 0.279 204 G HA3 0.037 3.997 3.960 -0.000 0.000 0.279 204 G C -0.734 174.169 174.900 0.006 0.000 1.314 204 G CA -0.960 44.143 45.100 0.006 0.000 1.189 204 G HN -0.539 7.736 8.290 0.007 0.019 0.562 205 E N -0.156 120.049 120.200 0.009 0.000 4.100 205 E HA -0.639 3.711 4.350 -0.000 0.000 0.204 205 E C -0.994 175.611 176.600 0.009 0.000 1.271 205 E CA 2.309 58.715 56.400 0.010 0.000 2.192 205 E CB -1.219 28.487 29.700 0.009 0.000 1.879 205 E HN -0.377 7.894 8.360 0.011 0.096 0.291 206 E N 0.884 121.088 120.200 0.006 0.000 2.406 206 E HA -0.180 4.170 4.350 -0.000 0.000 0.258 206 E C 0.194 176.796 176.600 0.002 0.000 1.043 206 E CA -0.009 56.394 56.400 0.005 0.000 0.929 206 E CB 0.289 29.992 29.700 0.004 0.000 0.969 206 E HN -0.236 8.085 8.360 0.006 0.042 0.462 207 L N 6.675 127.900 121.223 0.003 0.000 2.376 207 L HA -0.200 4.140 4.340 -0.000 0.000 0.219 207 L C -0.709 176.158 176.870 -0.005 0.000 1.133 207 L CA 1.187 56.025 54.840 -0.003 0.000 0.816 207 L CB -0.159 41.898 42.059 -0.003 0.000 0.933 207 L HN 0.247 8.481 8.230 0.006 0.000 0.449 208 K N -3.605 116.794 120.400 -0.000 0.000 1.968 208 K HA -0.327 3.993 4.320 -0.000 0.000 0.393 208 K C -1.685 174.916 176.600 0.002 0.000 1.775 208 K CA 1.006 57.293 56.287 -0.000 0.000 0.654 208 K CB -0.702 31.796 32.500 -0.005 0.000 1.066 208 K HN -0.634 7.569 8.250 0.003 0.049 0.701 209 A N 0.690 123.509 122.820 -0.001 0.000 2.277 209 A HA 0.463 4.783 4.320 -0.000 0.000 0.318 209 A C -2.686 174.892 177.584 -0.011 0.000 1.339 209 A CA -2.476 49.562 52.037 0.002 0.000 0.875 209 A CB 0.562 19.566 19.000 0.006 0.000 1.158 209 A HN 0.115 8.263 8.150 -0.004 0.000 0.514 210 P HA 0.219 4.639 4.420 -0.000 0.000 0.277 210 P C -1.791 175.480 177.300 -0.048 0.000 1.240 210 P CA -0.863 62.211 63.100 -0.044 0.000 0.798 210 P CB 0.870 32.533 31.700 -0.062 0.000 0.979 211 E N 1.615 121.777 120.200 -0.064 0.000 2.133 211 E HA 0.364 4.714 4.350 -0.000 0.000 0.274 211 E C -1.746 174.789 176.600 -0.110 0.000 0.930 211 E CA -1.378 54.985 56.400 -0.062 0.000 0.770 211 E CB 2.827 32.497 29.700 -0.051 0.000 1.104 211 E HN 0.735 8.942 8.360 -0.070 0.112 0.403 212 I N 4.451 124.938 120.570 -0.139 0.000 2.619 212 I HA 0.777 4.947 4.170 -0.000 0.000 0.292 212 I C -2.937 173.057 176.117 -0.205 0.000 1.100 212 I CA -2.246 58.891 61.300 -0.271 0.000 1.043 212 I CB 3.779 41.459 38.000 -0.534 0.000 1.239 212 I HN 0.394 8.555 8.210 -0.082 0.000 0.420 213 A N 6.386 129.134 122.820 -0.120 0.000 2.515 213 A HA 0.958 5.279 4.320 -0.000 0.000 0.298 213 A C -2.850 174.875 177.584 0.236 0.000 1.059 213 A CA -1.085 51.029 52.037 0.129 0.000 0.698 213 A CB 3.624 22.684 19.000 0.100 0.000 1.289 213 A HN 0.927 8.991 8.150 -0.144 0.000 0.404 214 S N -0.051 115.899 115.700 0.416 0.000 2.556 214 S HA 1.049 5.519 4.470 -0.000 0.000 0.271 214 S C -2.092 172.610 174.600 0.170 0.000 1.135 214 S CA -1.164 57.249 58.200 0.356 0.000 0.858 214 S CB 3.484 66.908 63.200 0.373 0.000 1.114 214 S HN 0.972 9.570 8.310 0.481 0.000 0.468 215 I N -0.673 119.824 120.570 -0.121 0.000 2.865 215 I HA 0.535 4.705 4.170 -0.000 0.000 0.302 215 I C -3.061 172.950 176.117 -0.175 0.000 1.140 215 I CA -1.828 59.250 61.300 -0.370 0.000 1.021 215 I CB 3.604 40.932 38.000 -1.121 0.000 1.233 215 I HN 0.552 8.742 8.210 -0.033 0.000 0.427 216 T N 5.991 120.472 114.554 -0.121 0.000 2.909 216 T HA 0.471 4.821 4.350 -0.000 0.000 0.299 216 T C -1.628 173.030 174.700 -0.070 0.000 1.073 216 T CA -1.882 60.166 62.100 -0.087 0.000 0.999 216 T CB 2.445 71.337 68.868 0.040 0.000 1.098 216 T HN 0.135 8.302 8.240 -0.122 0.000 0.477 217 V N 6.275 126.146 119.914 -0.071 0.000 2.681 217 V HA -0.195 3.925 4.120 -0.000 0.000 0.306 217 V C 0.565 176.664 176.094 0.009 0.000 1.077 217 V CA 2.096 64.380 62.300 -0.025 0.000 1.224 217 V CB -0.159 31.646 31.823 -0.031 0.000 0.879 217 V HN 0.620 8.637 8.190 -0.109 0.108 0.494 218 G N 5.939 114.764 108.800 0.041 0.000 2.284 218 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 218 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 218 G C -1.224 173.726 174.900 0.084 0.000 1.009 218 G CA -0.217 44.915 45.100 0.053 0.000 0.625 218 G HN 0.432 8.757 8.290 0.058 0.000 0.501 219 N N -0.071 118.672 118.700 0.071 0.000 3.204 219 N HA 0.248 4.988 4.740 -0.000 0.000 0.285 219 N C -2.053 173.395 175.510 -0.103 0.000 1.536 219 N CA -0.896 52.178 53.050 0.040 0.000 0.832 219 N CB 1.443 39.932 38.487 0.002 0.000 1.645 219 N HN -0.178 8.166 8.380 0.040 0.060 0.586 220 K N -2.137 118.112 120.400 -0.252 0.000 2.102 220 K HA 0.110 4.430 4.320 -0.000 0.000 0.244 220 K C 0.078 176.550 176.600 -0.214 0.000 1.021 220 K CA -0.107 55.901 56.287 -0.464 0.000 0.913 220 K CB 0.804 33.054 32.500 -0.416 0.000 1.062 220 K HN -0.039 8.121 8.250 -0.149 0.000 0.485 221 Y N -0.086 120.088 120.300 -0.210 0.000 2.597 221 Y HA -0.203 4.347 4.550 -0.000 0.000 0.336 221 Y C -0.171 175.709 175.900 -0.033 0.000 1.216 221 Y CA 2.143 60.200 58.100 -0.072 0.000 1.463 221 Y CB 0.586 39.015 38.460 -0.051 0.000 1.303 221 Y HN -0.425 7.793 8.280 -0.103 0.000 0.576 222 R N 4.549 125.208 120.500 0.265 0.000 2.480 222 R HA 0.423 4.763 4.340 -0.000 0.000 0.306 222 R C -1.861 174.592 176.300 0.254 0.000 0.958 222 R CA -1.397 54.807 56.100 0.173 0.000 0.861 222 R CB 3.024 33.377 30.300 0.088 0.000 1.171 222 R HN 0.693 9.159 8.270 0.328 0.000 0.445 223 I N 6.315 126.989 120.570 0.173 0.000 2.385 223 I HA 0.196 4.366 4.170 -0.000 0.000 0.294 223 I C -0.423 175.827 176.117 0.222 0.000 0.988 223 I CA -1.113 60.305 61.300 0.196 0.000 1.265 223 I CB 1.349 39.404 38.000 0.091 0.000 1.388 223 I HN 0.313 8.589 8.210 0.110 0.000 0.480 224 Y N 7.563 127.871 120.300 0.013 0.000 2.425 224 Y HA -0.218 4.332 4.550 -0.000 0.000 0.331 224 Y C 0.051 175.962 175.900 0.018 0.000 1.157 224 Y CA 0.131 58.239 58.100 0.013 0.000 1.372 224 Y CB 0.311 38.762 38.460 -0.014 0.000 1.253 224 Y HN 0.214 8.795 8.280 0.502 0.000 0.536 225 D N 2.981 123.450 120.400 0.115 0.000 2.313 225 D HA -0.009 4.631 4.640 -0.000 0.000 0.247 225 D C 0.644 177.004 176.300 0.099 0.000 1.094 225 D CA -0.733 53.314 54.000 0.079 0.000 0.925 225 D CB 1.713 42.534 40.800 0.034 0.000 1.188 225 D HN 0.034 8.430 8.370 0.044 0.000 0.430 226 Q N 2.759 122.602 119.800 0.071 0.000 2.124 226 Q HA -0.518 3.822 4.340 -0.000 0.000 0.215 226 Q C 1.743 177.790 176.000 0.079 0.000 1.015 226 Q CA 3.924 59.766 55.803 0.066 0.000 0.890 226 Q CB -0.034 28.729 28.738 0.042 0.000 0.966 226 Q HN 0.678 8.981 8.270 0.055 0.000 0.412 227 E N -2.388 117.852 120.200 0.066 0.000 2.072 227 E HA -0.299 4.051 4.350 -0.000 0.000 0.191 227 E C 2.156 178.818 176.600 0.104 0.000 0.985 227 E CA 2.571 59.009 56.400 0.064 0.000 0.801 227 E CB -0.602 29.120 29.700 0.036 0.000 0.750 227 E HN -0.130 8.344 8.360 0.053 -0.082 0.452 228 E N -0.108 120.172 120.200 0.133 0.000 2.058 228 E HA -0.327 4.023 4.350 -0.000 0.000 0.194 228 E C 2.313 179.179 176.600 0.443 0.000 0.997 228 E CA 2.822 59.361 56.400 0.232 0.000 0.801 228 E CB 0.137 29.927 29.700 0.151 0.000 0.746 228 E HN -0.699 7.876 8.360 0.102 -0.154 0.450 229 V N 0.231 120.364 119.914 0.366 0.000 2.295 229 V HA -0.386 3.734 4.120 -0.000 0.000 0.246 229 V C 1.377 177.648 176.094 0.294 0.000 1.049 229 V CA 3.833 66.328 62.300 0.324 0.000 1.024 229 V CB -0.329 31.580 31.823 0.143 0.000 0.648 229 V HN -0.237 8.117 8.190 0.273 0.000 0.447 230 K N -0.469 120.040 120.400 0.181 0.000 2.281 230 K HA -0.354 3.966 4.320 -0.000 0.000 0.203 230 K C 1.686 178.345 176.600 0.098 0.000 1.046 230 K CA 2.683 59.039 56.287 0.114 0.000 0.938 230 K CB -0.333 32.209 32.500 0.070 0.000 0.737 230 K HN -0.297 8.047 8.250 0.157 0.000 0.458 231 K N -2.137 118.330 120.400 0.111 0.000 2.148 231 K HA -0.193 4.127 4.320 -0.000 0.000 0.204 231 K C 1.514 178.011 176.600 -0.172 0.000 1.050 231 K CA 2.611 58.859 56.287 -0.065 0.000 0.942 231 K CB 0.351 32.752 32.500 -0.165 0.000 0.724 231 K HN -0.518 7.686 8.250 0.183 0.156 0.446 232 F N -2.925 117.041 119.950 0.027 0.000 2.530 232 F HA -0.084 4.443 4.527 -0.000 0.000 0.292 232 F C 0.954 176.752 175.800 -0.003 0.000 1.109 232 F CA 0.535 58.541 58.000 0.010 0.000 1.450 232 F CB 0.539 39.541 39.000 0.003 0.000 1.114 232 F HN -0.473 8.003 8.300 0.508 0.128 0.560 233 L N 0.000 121.338 121.223 0.192 0.000 2.949 233 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 233 L CA 0.000 54.899 54.840 0.099 0.000 0.813 233 L CB 0.000 42.107 42.059 0.079 0.000 0.961 233 L HN 0.000 8.248 8.230 0.231 0.121 0.502