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 2x9g_1_D DATA FIRST_RESID 2 DATA SEQUENCE EAPAAVVTGA AKRIGRAIAV KLHQTGYRVV IHYHNSAEAA VSLADELNKE DATA SEQUENCE RSNTAVVCQA DLTNSNVLPA SCEEIINSCF RAFGRCDVLV NNASAFYPTP DATA SEQUENCE LVQXXXXXXX XXKTVETQVA ELIGTNAIAP FLLTMSFAQR QXXXXXXXXX DATA SEQUENCE SNLSIVNLCD AMVDQPCMAF SLYNMGKHAL VGLTQSAALE LAPYGIRVNG DATA SEQUENCE VAPGVSLLPV AMGEEEKDKW RRKVPLGRRE ASAEQIADAV IFLVSGSAQY DATA SEQUENCE ITGSIIKVDG GLSLVHA 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 E HA 0.000 4.314 4.350 -0.060 0.000 0.291 2 E C 0.000 176.537 176.600 -0.105 0.000 1.382 2 E CA 0.000 56.361 56.400 -0.065 0.000 0.976 2 E CB 0.000 29.674 29.700 -0.043 0.000 0.812 3 A N 3.441 126.184 122.820 -0.128 0.000 2.327 3 A HA 0.330 4.514 4.320 -0.227 0.000 0.283 3 A C -2.158 175.291 177.584 -0.225 0.000 1.127 3 A CA -1.420 50.495 52.037 -0.205 0.000 0.810 3 A CB 0.183 19.047 19.000 -0.227 0.000 1.066 3 A HN 0.126 8.212 8.150 -0.107 0.000 0.492 4 P HA 0.056 4.481 4.420 -0.157 -0.099 0.274 4 P C -1.972 175.231 177.300 -0.163 0.000 1.256 4 P CA -0.500 62.446 63.100 -0.257 0.000 0.795 4 P CB 1.246 32.694 31.700 -0.420 0.000 1.038 5 A N -2.800 120.032 122.820 0.020 0.000 2.435 5 A HA 0.879 5.374 4.320 -0.037 -0.197 0.304 5 A C -2.115 175.586 177.584 0.195 0.000 1.064 5 A CA -1.941 50.117 52.037 0.034 0.000 0.727 5 A CB 3.866 22.851 19.000 -0.026 0.000 1.284 5 A HN 0.150 8.632 8.150 0.041 -0.308 0.415 6 A N 0.817 123.723 122.820 0.144 0.000 2.414 6 A HA 1.008 5.588 4.320 0.086 -0.209 0.306 6 A C -2.169 175.470 177.584 0.092 0.000 1.054 6 A CA -1.934 50.142 52.037 0.066 0.000 0.724 6 A CB 3.752 22.664 19.000 -0.146 0.000 1.267 6 A HN 0.660 8.869 8.150 0.098 0.000 0.418 7 V N 2.501 122.466 119.914 0.085 0.000 2.394 7 V HA 0.328 4.657 4.120 0.129 -0.132 0.282 7 V C -1.486 174.632 176.094 0.040 0.000 1.031 7 V CA -1.152 61.204 62.300 0.094 0.000 0.881 7 V CB 1.465 33.352 31.823 0.106 0.000 0.982 7 V HN 0.260 8.497 8.190 0.079 0.000 0.451 8 V N 8.139 128.094 119.914 0.068 0.000 2.444 8 V HA 0.439 4.718 4.120 0.013 -0.152 0.294 8 V C -0.391 175.775 176.094 0.119 0.000 1.022 8 V CA -2.369 59.962 62.300 0.051 0.000 0.850 8 V CB 1.666 33.510 31.823 0.036 0.000 0.992 8 V HN 0.434 8.685 8.190 0.103 0.000 0.426 9 T N 3.002 117.611 114.554 0.091 0.000 2.910 9 T HA 0.160 4.719 4.350 0.349 0.000 0.293 9 T C 1.015 175.873 174.700 0.263 0.000 1.015 9 T CA -1.495 60.718 62.100 0.188 0.000 1.094 9 T CB 1.013 69.844 68.868 -0.061 0.000 0.968 9 T HN 0.056 8.317 8.240 0.036 0.000 0.521 10 G N 2.292 111.387 108.800 0.492 0.000 2.338 10 G HA2 -0.444 3.643 3.960 0.211 0.000 0.296 10 G HA3 -0.444 3.655 3.960 0.231 0.000 0.296 10 G C -0.149 174.837 174.900 0.143 0.000 1.040 10 G CA 0.887 46.137 45.100 0.250 0.000 1.004 10 G HN 0.244 9.171 8.290 1.062 0.000 0.509 11 A N -2.166 120.735 122.820 0.135 0.000 2.308 11 A HA 0.095 4.353 4.320 0.068 0.103 0.217 11 A C 0.096 177.709 177.584 0.049 0.000 1.216 11 A CA 0.481 52.569 52.037 0.084 0.000 0.864 11 A CB -0.136 18.920 19.000 0.093 0.000 0.902 11 A HN 0.042 8.288 8.150 0.160 0.000 0.499 12 A N -2.761 120.086 122.820 0.045 0.000 2.014 12 A HA -0.209 4.098 4.320 -0.021 0.000 0.218 12 A C -1.161 176.418 177.584 -0.008 0.000 1.163 12 A CA 1.843 53.879 52.037 -0.003 0.000 0.652 12 A CB 0.258 19.242 19.000 -0.027 0.000 0.808 12 A HN 0.385 8.519 8.150 0.068 0.057 0.449 13 K N -4.658 115.747 120.400 0.009 0.000 2.480 13 K HA 0.237 4.553 4.320 -0.007 0.000 0.258 13 K C 0.069 176.670 176.600 0.003 0.000 0.990 13 K CA -1.743 54.545 56.287 0.002 0.000 0.857 13 K CB 2.696 35.199 32.500 0.006 0.000 1.384 13 K HN -0.505 7.720 8.250 0.025 0.040 0.446 14 R N -1.355 119.141 120.500 -0.007 0.000 3.974 14 R HA -0.466 3.864 4.340 -0.018 0.000 0.376 14 R C 1.188 177.478 176.300 -0.015 0.000 0.241 14 R CA 2.121 58.213 56.100 -0.015 0.000 1.218 14 R CB -1.543 28.746 30.300 -0.019 0.000 1.032 14 R HN 0.481 8.746 8.270 -0.009 0.000 0.547 15 I N 0.209 120.766 120.570 -0.022 0.000 2.252 15 I HA -0.332 3.823 4.170 -0.024 0.000 0.245 15 I C 1.560 177.671 176.117 -0.010 0.000 1.102 15 I CA 3.478 64.765 61.300 -0.023 0.000 1.385 15 I CB -0.308 37.670 38.000 -0.037 0.000 1.064 15 I HN 0.122 8.315 8.210 -0.028 0.000 0.414 16 G N -1.527 107.275 108.800 0.002 0.000 2.440 16 G HA2 -0.408 3.760 3.960 0.034 0.000 0.218 16 G HA3 -0.408 3.558 3.960 0.011 0.000 0.218 16 G C 0.570 175.478 174.900 0.015 0.000 1.154 16 G CA 2.007 47.117 45.100 0.017 0.000 0.767 16 G HN 0.097 8.389 8.290 0.004 0.000 0.552 17 R N 2.368 122.874 120.500 0.010 0.000 2.073 17 R HA -0.266 4.217 4.340 0.007 -0.139 0.234 17 R C 2.046 178.346 176.300 -0.000 0.000 1.134 17 R CA 3.106 59.208 56.100 0.003 0.000 0.952 17 R CB -0.047 30.250 30.300 -0.005 0.000 0.850 17 R HN -0.554 7.626 8.270 0.009 0.095 0.433 18 A N -0.961 121.857 122.820 -0.004 0.000 1.933 18 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 18 A C 2.223 179.806 177.584 -0.001 0.000 1.175 18 A CA 2.978 55.014 52.037 -0.003 0.000 0.628 18 A CB -0.620 18.376 19.000 -0.007 0.000 0.814 18 A HN -0.568 7.579 8.150 -0.005 0.000 0.444 19 I N -1.186 119.380 120.570 -0.007 0.000 2.179 19 I HA -0.623 3.536 4.170 -0.018 0.000 0.242 19 I C 1.646 177.755 176.117 -0.014 0.000 1.088 19 I CA 4.290 65.581 61.300 -0.017 0.000 1.357 19 I CB -0.218 37.766 38.000 -0.027 0.000 1.051 19 I HN -0.170 8.035 8.210 -0.007 0.000 0.409 20 A N -0.146 122.674 122.820 0.000 0.000 1.902 20 A HA -0.294 4.031 4.320 0.009 0.000 0.217 20 A C 2.126 179.736 177.584 0.043 0.000 1.181 20 A CA 3.445 55.492 52.037 0.017 0.000 0.623 20 A CB -0.864 18.150 19.000 0.024 0.000 0.818 20 A HN -0.147 8.005 8.150 0.003 0.000 0.443 21 V N -1.145 118.786 119.914 0.029 0.000 2.287 21 V HA -0.552 3.597 4.120 0.049 0.000 0.248 21 V C 2.021 178.164 176.094 0.081 0.000 1.053 21 V CA 4.670 66.998 62.300 0.046 0.000 1.027 21 V CB -0.924 30.911 31.823 0.019 0.000 0.646 21 V HN 0.107 8.305 8.190 0.015 0.000 0.447 22 K N -0.198 120.230 120.400 0.048 0.000 2.103 22 K HA -0.188 4.335 4.320 0.058 -0.168 0.204 22 K C 2.893 179.530 176.600 0.061 0.000 1.052 22 K CA 2.931 59.247 56.287 0.049 0.000 0.945 22 K CB -0.109 32.407 32.500 0.027 0.000 0.722 22 K HN -0.501 7.766 8.250 0.030 0.000 0.443 23 L N -1.060 120.182 121.223 0.031 0.000 2.046 23 L HA -0.475 3.875 4.340 0.018 0.000 0.208 23 L C 1.746 178.718 176.870 0.170 0.000 1.077 23 L CA 3.452 58.304 54.840 0.020 0.000 0.747 23 L CB -0.365 41.588 42.059 -0.177 0.000 0.896 23 L HN -0.035 8.201 8.230 0.010 0.000 0.432 24 H N 0.360 119.466 119.070 0.060 0.000 2.352 24 H HA -0.230 4.603 4.556 0.073 -0.234 0.299 24 H C 3.305 178.663 175.328 0.051 0.000 1.097 24 H CA 3.891 59.973 56.048 0.057 0.000 1.311 24 H CB 0.307 30.084 29.762 0.025 0.000 1.377 24 H HN -0.245 8.162 8.280 0.211 0.000 0.504 25 Q N -2.434 117.436 119.800 0.117 0.000 2.170 25 Q HA -0.244 4.123 4.340 0.045 0.000 0.203 25 Q C 1.764 177.773 176.000 0.015 0.000 0.976 25 Q CA 2.323 58.160 55.803 0.057 0.000 0.858 25 Q CB 0.030 28.813 28.738 0.076 0.000 0.907 25 Q HN -0.196 8.176 8.270 0.169 0.000 0.433 26 T N -2.744 111.843 114.554 0.055 0.000 3.085 26 T HA -0.112 4.263 4.350 0.041 0.000 0.263 26 T C 0.350 175.048 174.700 -0.003 0.000 1.127 26 T CA 1.476 63.618 62.100 0.069 0.000 1.103 26 T CB 0.581 69.554 68.868 0.175 0.000 0.921 26 T HN -0.463 7.707 8.240 0.088 0.123 0.510 27 G N -0.415 108.340 108.800 -0.074 0.000 2.205 27 G HA2 -0.296 3.538 3.960 -0.210 0.000 0.180 27 G HA3 -0.296 3.526 3.960 -0.230 0.000 0.180 27 G C -0.765 173.972 174.900 -0.272 0.000 1.004 27 G CA -0.389 44.588 45.100 -0.205 0.000 0.670 27 G HN -0.569 7.516 8.290 -0.063 0.167 0.496 28 Y N 0.738 120.923 120.300 -0.192 0.000 2.336 28 Y HA -0.108 4.495 4.550 -0.186 -0.165 0.331 28 Y C 0.412 176.162 175.900 -0.250 0.000 1.211 28 Y CA 1.405 59.393 58.100 -0.186 0.000 1.346 28 Y CB 0.716 39.112 38.460 -0.106 0.000 1.271 28 Y HN -0.607 7.772 8.280 0.164 0.000 0.538 29 R N 0.033 120.406 120.500 -0.213 0.000 2.490 29 R HA 0.275 4.582 4.340 -0.296 -0.144 0.278 29 R C -1.314 174.795 176.300 -0.317 0.000 1.069 29 R CA 0.359 56.164 56.100 -0.492 0.000 1.080 29 R CB 1.360 30.896 30.300 -1.274 0.000 1.030 29 R HN 0.318 8.439 8.270 -0.248 0.000 0.491 30 V N 1.898 121.742 119.914 -0.115 0.000 2.789 30 V HA 0.724 5.118 4.120 0.106 -0.210 0.311 30 V C -2.099 174.202 176.094 0.344 0.000 1.073 30 V CA -2.268 60.109 62.300 0.128 0.000 0.921 30 V CB 4.722 36.624 31.823 0.131 0.000 1.009 30 V HN 0.297 8.431 8.190 -0.094 0.000 0.426 31 V N 8.018 128.126 119.914 0.323 0.000 2.364 31 V HA 0.284 4.755 4.120 0.288 -0.178 0.272 31 V C -0.937 175.276 176.094 0.198 0.000 1.036 31 V CA -1.425 61.039 62.300 0.274 0.000 0.880 31 V CB 0.275 32.239 31.823 0.236 0.000 0.991 31 V HN 0.572 8.923 8.190 0.269 0.000 0.460 32 I N 8.083 128.764 120.570 0.184 0.000 2.269 32 I HA 0.047 4.306 4.170 0.149 0.000 0.293 32 I C -1.384 174.864 176.117 0.217 0.000 1.106 32 I CA -0.671 60.727 61.300 0.164 0.000 1.248 32 I CB -0.830 37.237 38.000 0.112 0.000 1.444 32 I HN 0.743 9.065 8.210 0.188 0.000 0.497 33 H N 9.657 128.817 119.070 0.149 0.000 2.652 33 H HA 0.658 5.530 4.556 0.128 -0.240 0.349 33 H C -1.585 173.873 175.328 0.217 0.000 1.099 33 H CA -1.173 54.955 56.048 0.133 0.000 1.417 33 H CB 2.383 32.179 29.762 0.058 0.000 1.457 33 H HN -0.203 8.239 8.280 0.271 0.000 0.568 34 Y N 1.080 120.789 120.300 -0.986 0.000 2.655 34 Y HA 0.376 4.618 4.550 -0.513 0.000 0.336 34 Y C -1.981 173.622 175.900 -0.496 0.000 1.154 34 Y CA -1.762 55.976 58.100 -0.603 0.000 1.055 34 Y CB 1.700 40.028 38.460 -0.220 0.000 1.295 34 Y HN 0.095 7.734 8.280 -1.068 0.000 0.465 35 H N 0.747 119.698 119.070 -0.198 0.000 2.329 35 H HA 0.158 4.573 4.556 -0.236 0.000 0.285 35 H C -0.371 174.998 175.328 0.068 0.000 1.062 35 H CA 1.031 57.017 56.048 -0.103 0.000 1.511 35 H CB 1.833 31.617 29.762 0.037 0.000 1.471 35 H HN 0.359 8.733 8.280 0.156 0.000 0.613 36 N N -0.995 117.650 118.700 -0.092 0.000 2.322 36 N HA 0.012 4.663 4.740 -0.148 0.000 0.181 36 N C 0.088 175.634 175.510 0.060 0.000 1.088 36 N CA 1.099 54.083 53.050 -0.112 0.000 0.885 36 N CB 0.544 38.909 38.487 -0.202 0.000 1.013 36 N HN 0.010 8.392 8.380 0.002 0.000 0.472 37 S N 1.799 117.572 115.700 0.121 0.000 3.812 37 S HA 0.311 4.759 4.470 -0.036 0.000 0.195 37 S C -0.358 174.092 174.600 -0.251 0.000 1.460 37 S CA -0.516 57.671 58.200 -0.021 0.000 1.052 37 S CB -1.671 61.524 63.200 -0.008 0.000 1.385 37 S HN -0.146 8.285 8.310 0.202 0.000 0.490 38 A N 3.020 125.686 122.820 -0.257 0.000 1.877 38 A HA -0.323 3.178 4.320 -1.364 0.000 0.216 38 A C 1.271 178.608 177.584 -0.412 0.000 1.186 38 A CA 3.471 55.165 52.037 -0.572 0.000 0.620 38 A CB -0.267 18.642 19.000 -0.152 0.000 0.822 38 A HN -0.275 7.761 8.150 -0.080 0.066 0.443 39 E N -0.987 119.085 120.200 -0.214 0.000 2.085 39 E HA -0.383 3.881 4.350 -0.143 0.000 0.194 39 E C 1.881 178.384 176.600 -0.161 0.000 0.994 39 E CA 2.909 59.218 56.400 -0.152 0.000 0.801 39 E CB -0.279 29.366 29.700 -0.092 0.000 0.743 39 E HN 0.437 8.697 8.360 -0.166 0.000 0.453 40 A N -0.862 121.860 122.820 -0.164 0.000 1.930 40 A HA -0.252 4.007 4.320 -0.101 0.000 0.217 40 A C 1.796 179.283 177.584 -0.162 0.000 1.175 40 A CA 2.782 54.741 52.037 -0.130 0.000 0.627 40 A CB -0.877 18.066 19.000 -0.094 0.000 0.815 40 A HN 0.007 8.058 8.150 -0.165 0.000 0.443 41 A N -1.136 121.517 122.820 -0.279 0.000 1.877 41 A HA -0.361 3.860 4.320 -0.166 0.000 0.216 41 A C 1.799 179.261 177.584 -0.204 0.000 1.186 41 A CA 3.017 54.887 52.037 -0.280 0.000 0.620 41 A CB -0.465 18.175 19.000 -0.600 0.000 0.822 41 A HN -0.335 7.598 8.150 -0.361 0.000 0.443 42 V N -1.623 118.149 119.914 -0.237 0.000 2.407 42 V HA -0.522 3.534 4.120 -0.107 0.000 0.248 42 V C 1.589 177.628 176.094 -0.091 0.000 1.055 42 V CA 5.044 67.263 62.300 -0.135 0.000 1.049 42 V CB -0.473 31.273 31.823 -0.129 0.000 0.662 42 V HN -0.145 7.857 8.190 -0.313 0.000 0.455 43 S N 0.687 116.329 115.700 -0.097 0.000 2.368 43 S HA -0.264 4.170 4.470 -0.059 0.000 0.225 43 S C 2.042 176.603 174.600 -0.065 0.000 1.030 43 S CA 3.415 61.572 58.200 -0.070 0.000 0.999 43 S CB -0.442 62.717 63.200 -0.068 0.000 0.844 43 S HN -0.464 7.775 8.310 -0.118 0.000 0.459 44 L N 1.723 122.903 121.223 -0.072 0.000 2.017 44 L HA -0.237 4.064 4.340 -0.066 0.000 0.208 44 L C 0.888 177.714 176.870 -0.073 0.000 1.073 44 L CA 2.838 57.637 54.840 -0.067 0.000 0.745 44 L CB -0.484 41.540 42.059 -0.058 0.000 0.894 44 L HN -0.401 7.779 8.230 -0.083 0.000 0.432 45 A N -1.438 121.349 122.820 -0.056 0.000 1.908 45 A HA -0.445 3.850 4.320 -0.042 0.000 0.218 45 A C 1.674 179.233 177.584 -0.041 0.000 1.181 45 A CA 3.399 55.414 52.037 -0.037 0.000 0.627 45 A CB -0.972 18.027 19.000 -0.002 0.000 0.818 45 A HN -0.118 7.997 8.150 -0.058 0.000 0.445 46 D N -1.687 118.689 120.400 -0.039 0.000 2.097 46 D HA -0.324 4.305 4.640 -0.018 0.000 0.195 46 D C 2.675 178.951 176.300 -0.040 0.000 0.989 46 D CA 3.395 57.377 54.000 -0.030 0.000 0.827 46 D CB -0.607 40.175 40.800 -0.030 0.000 0.966 46 D HN -0.187 8.148 8.370 -0.044 0.008 0.456 47 E N -0.030 120.137 120.200 -0.056 0.000 2.051 47 E HA -0.371 3.955 4.350 -0.041 0.000 0.192 47 E C 2.685 179.230 176.600 -0.092 0.000 0.991 47 E CA 3.320 59.684 56.400 -0.060 0.000 0.799 47 E CB -0.015 29.649 29.700 -0.060 0.000 0.748 47 E HN -0.577 7.748 8.360 -0.058 0.000 0.449 48 L N -1.685 119.433 121.223 -0.175 0.000 2.109 48 L HA -0.363 3.739 4.340 -0.397 0.000 0.207 48 L C 2.071 178.846 176.870 -0.158 0.000 1.086 48 L CA 2.972 57.584 54.840 -0.381 0.000 0.760 48 L CB -0.499 41.131 42.059 -0.715 0.000 0.910 48 L HN 0.034 8.169 8.230 -0.158 0.000 0.437 49 N N -0.799 117.868 118.700 -0.055 0.000 2.396 49 N HA -0.130 4.872 4.740 0.077 -0.216 0.180 49 N C 2.462 177.993 175.510 0.036 0.000 1.028 49 N CA 2.309 55.379 53.050 0.033 0.000 0.893 49 N CB -0.279 38.231 38.487 0.039 0.000 0.967 49 N HN 0.042 8.382 8.380 -0.068 0.000 0.440 50 K N -0.853 119.554 120.400 0.012 0.000 2.155 50 K HA -0.205 4.127 4.320 0.021 0.000 0.203 50 K C 1.409 178.030 176.600 0.036 0.000 1.052 50 K CA 2.695 58.993 56.287 0.018 0.000 0.948 50 K CB 0.069 32.572 32.500 0.005 0.000 0.728 50 K HN -0.519 7.699 8.250 -0.009 0.027 0.448 51 E N -2.750 117.482 120.200 0.053 0.000 2.076 51 E HA -0.147 4.241 4.350 0.063 0.000 0.190 51 E C 0.387 177.051 176.600 0.107 0.000 0.979 51 E CA 1.770 58.224 56.400 0.090 0.000 0.807 51 E CB 0.508 30.298 29.700 0.151 0.000 0.761 51 E HN -0.599 7.674 8.360 0.036 0.109 0.454 52 R N -2.374 118.216 120.500 0.150 0.000 2.510 52 R HA 0.363 4.745 4.340 0.070 0.000 0.294 52 R C -2.033 174.334 176.300 0.111 0.000 1.056 52 R CA -1.346 54.820 56.100 0.109 0.000 0.918 52 R CB 2.801 33.147 30.300 0.077 0.000 1.187 52 R HN -0.291 8.090 8.270 0.186 0.000 0.437 53 S N 3.624 119.368 115.700 0.073 0.000 2.568 53 S HA -0.124 4.528 4.470 0.077 -0.136 0.282 53 S C 0.328 174.986 174.600 0.097 0.000 1.338 53 S CA 0.936 59.181 58.200 0.075 0.000 1.045 53 S CB 0.174 63.406 63.200 0.053 0.000 0.873 53 S HN 0.271 8.616 8.310 0.058 0.000 0.516 54 N N 1.062 119.833 118.700 0.118 0.000 2.754 54 N HA -0.290 4.554 4.740 0.173 0.000 0.248 54 N C -0.540 175.126 175.510 0.259 0.000 1.093 54 N CA 1.635 54.787 53.050 0.171 0.000 0.699 54 N CB -1.898 36.670 38.487 0.135 0.000 1.016 54 N HN 0.335 8.820 8.380 0.104 -0.043 0.552 55 T N -9.455 105.238 114.554 0.230 0.000 3.040 55 T HA 0.128 4.513 4.350 0.060 0.000 0.266 55 T C -1.850 172.986 174.700 0.227 0.000 1.005 55 T CA -0.147 62.054 62.100 0.170 0.000 0.906 55 T CB 1.943 70.920 68.868 0.182 0.000 1.082 55 T HN 0.045 8.679 8.240 0.201 -0.273 0.531 56 A N 1.048 124.064 122.820 0.327 0.000 2.488 56 A HA 0.988 5.772 4.320 0.376 -0.238 0.298 56 A C -1.988 175.764 177.584 0.280 0.000 1.044 56 A CA -0.736 51.480 52.037 0.298 0.000 0.693 56 A CB 3.046 22.100 19.000 0.089 0.000 1.272 56 A HN -0.594 7.911 8.150 0.303 -0.174 0.402 57 V N -2.335 117.739 119.914 0.266 0.000 3.078 57 V HA 0.653 4.832 4.120 0.098 0.000 0.311 57 V C -2.245 173.930 176.094 0.134 0.000 1.138 57 V CA -2.853 59.523 62.300 0.127 0.000 1.007 57 V CB 3.873 35.701 31.823 0.008 0.000 1.045 57 V HN 0.408 8.806 8.190 0.345 0.000 0.432 58 V N -1.629 118.356 119.914 0.118 0.000 2.837 58 V HA 0.717 5.132 4.120 0.195 -0.178 0.310 58 V C -0.932 175.279 176.094 0.195 0.000 1.059 58 V CA -2.616 59.797 62.300 0.188 0.000 1.004 58 V CB 1.295 33.239 31.823 0.202 0.000 1.045 58 V HN 0.111 8.358 8.190 0.095 0.000 0.465 59 C N 5.156 124.585 119.300 0.215 0.000 2.599 59 C HA 0.265 4.773 4.460 0.081 0.000 0.354 59 C C -1.670 173.236 174.990 -0.139 0.000 1.092 59 C CA -0.464 58.610 59.018 0.092 0.000 1.280 59 C CB 1.883 29.694 27.740 0.119 0.000 1.829 59 C HN 0.265 8.659 8.230 0.272 0.000 0.454 60 Q N 8.395 128.004 119.800 -0.319 0.000 2.261 60 Q HA 0.649 4.427 4.340 -1.280 -0.206 0.252 60 Q C -1.593 174.283 176.000 -0.207 0.000 0.915 60 Q CA -0.362 55.026 55.803 -0.691 0.000 0.915 60 Q CB 1.350 29.727 28.738 -0.602 0.000 1.204 60 Q HN 0.263 8.443 8.270 -0.150 0.000 0.421 61 A N 5.947 128.710 122.820 -0.094 0.000 2.555 61 A HA 0.183 4.522 4.320 0.033 0.000 0.297 61 A C -2.642 175.019 177.584 0.128 0.000 1.060 61 A CA -0.360 51.731 52.037 0.090 0.000 0.710 61 A CB 3.216 22.288 19.000 0.118 0.000 1.282 61 A HN 0.467 8.468 8.150 -0.248 0.000 0.399 62 D N 1.016 121.414 120.400 -0.004 0.000 2.348 62 D HA -0.003 4.225 4.640 -0.687 0.000 0.253 62 D C -0.376 175.827 176.300 -0.161 0.000 1.161 62 D CA 0.076 53.905 54.000 -0.284 0.000 0.876 62 D CB 0.398 41.084 40.800 -0.189 0.000 1.160 62 D HN 0.221 8.608 8.370 0.028 0.000 0.459 63 L N 4.259 125.368 121.223 -0.191 0.000 2.818 63 L HA 0.219 4.505 4.340 -0.089 0.000 0.243 63 L C 0.029 176.856 176.870 -0.072 0.000 1.185 63 L CA -1.405 53.371 54.840 -0.106 0.000 0.988 63 L CB 0.012 42.009 42.059 -0.103 0.000 1.292 63 L HN 0.242 8.301 8.230 -0.287 0.000 0.519 64 T N 0.851 115.354 114.554 -0.084 0.000 2.932 64 T HA -0.324 4.020 4.350 -0.010 0.000 0.312 64 T C -0.049 174.644 174.700 -0.012 0.000 1.071 64 T CA 1.799 63.882 62.100 -0.029 0.000 1.128 64 T CB 0.860 69.721 68.868 -0.012 0.000 0.984 64 T HN -0.682 7.687 8.240 -0.137 -0.211 0.549 65 N N 6.896 125.599 118.700 0.004 0.000 2.458 65 N HA -0.134 4.612 4.740 0.010 0.000 0.258 65 N C -1.008 174.508 175.510 0.010 0.000 1.219 65 N CA 1.278 54.334 53.050 0.009 0.000 0.902 65 N CB 0.965 39.459 38.487 0.011 0.000 1.076 65 N HN 0.056 8.337 8.380 0.009 0.105 0.455 66 S N 2.286 117.993 115.700 0.012 0.000 2.656 66 S HA 0.137 4.614 4.470 0.012 0.000 0.265 66 S C -0.229 174.379 174.600 0.014 0.000 1.132 66 S CA -0.173 58.034 58.200 0.012 0.000 0.819 66 S CB 1.770 64.977 63.200 0.011 0.000 1.119 66 S HN -0.281 8.037 8.310 0.014 0.000 0.476 67 N N 0.372 119.080 118.700 0.013 0.000 2.512 67 N HA -0.035 4.715 4.740 0.016 0.000 0.183 67 N C 0.731 176.249 175.510 0.013 0.000 1.073 67 N CA 2.107 55.165 53.050 0.014 0.000 0.911 67 N CB -0.187 38.307 38.487 0.011 0.000 0.964 67 N HN 0.423 8.811 8.380 0.012 0.000 0.447 68 V N -4.477 115.443 119.914 0.010 0.000 3.650 68 V HA 0.203 4.327 4.120 0.007 0.000 0.271 68 V C 0.164 176.261 176.094 0.006 0.000 1.281 68 V CA 0.030 62.334 62.300 0.008 0.000 1.120 68 V CB 0.576 32.403 31.823 0.007 0.000 0.856 68 V HN -0.514 7.632 8.190 0.010 0.050 0.443 69 L N 2.499 123.727 121.223 0.008 0.000 2.042 69 L HA -0.104 4.233 4.340 -0.006 0.000 0.210 69 L C -1.465 175.408 176.870 0.005 0.000 1.076 69 L CA 4.780 59.622 54.840 0.003 0.000 0.749 69 L CB -2.630 39.434 42.059 0.009 0.000 0.893 69 L HN -0.679 7.444 8.230 0.011 0.113 0.432 70 P HA -0.321 4.103 4.420 0.006 0.000 0.215 70 P C 1.051 178.347 177.300 -0.006 0.000 1.153 70 P CA 3.341 66.446 63.100 0.008 0.000 0.853 70 P CB -1.086 30.625 31.700 0.019 0.000 0.788 71 A N -3.604 119.214 122.820 -0.003 0.000 1.902 71 A HA -0.282 4.032 4.320 -0.010 0.000 0.217 71 A C 2.121 179.701 177.584 -0.006 0.000 1.181 71 A CA 2.922 54.955 52.037 -0.006 0.000 0.623 71 A CB -1.000 17.999 19.000 -0.003 0.000 0.818 71 A HN -0.278 7.873 8.150 0.001 0.000 0.443 72 S N -0.814 114.882 115.700 -0.007 0.000 2.368 72 S HA -0.349 4.119 4.470 -0.003 0.000 0.225 72 S C 1.756 176.346 174.600 -0.017 0.000 1.030 72 S CA 4.360 62.555 58.200 -0.009 0.000 0.999 72 S CB -0.407 62.785 63.200 -0.013 0.000 0.844 72 S HN -0.417 7.889 8.310 -0.006 0.000 0.459 73 C N 2.205 121.490 119.300 -0.025 0.000 2.446 73 C HA -0.266 4.166 4.460 -0.047 0.000 0.277 73 C C 1.296 176.278 174.990 -0.012 0.000 1.275 73 C CA 3.813 62.812 59.018 -0.033 0.000 1.727 73 C CB -1.797 25.919 27.740 -0.040 0.000 2.010 73 C HN 0.076 8.293 8.230 -0.022 0.000 0.486 74 E N 0.413 120.605 120.200 -0.013 0.000 2.085 74 E HA -0.471 3.875 4.350 -0.006 0.000 0.194 74 E C 1.747 178.353 176.600 0.010 0.000 0.994 74 E CA 3.469 59.865 56.400 -0.008 0.000 0.801 74 E CB -0.130 29.556 29.700 -0.022 0.000 0.743 74 E HN -0.055 8.294 8.360 -0.018 0.000 0.453 75 E N -0.564 119.642 120.200 0.009 0.000 2.150 75 E HA -0.224 4.138 4.350 0.019 0.000 0.193 75 E C 2.383 179.007 176.600 0.040 0.000 0.985 75 E CA 2.214 58.626 56.400 0.020 0.000 0.814 75 E CB -0.610 29.097 29.700 0.012 0.000 0.752 75 E HN -0.508 7.761 8.360 0.002 0.092 0.466 76 I N 0.039 120.632 120.570 0.037 0.000 2.179 76 I HA -0.423 3.788 4.170 0.070 0.000 0.242 76 I C 2.078 178.253 176.117 0.097 0.000 1.088 76 I CA 4.045 65.380 61.300 0.059 0.000 1.357 76 I CB 0.050 38.061 38.000 0.018 0.000 1.051 76 I HN -0.499 7.723 8.210 0.020 0.000 0.409 77 I N -1.304 119.334 120.570 0.112 0.000 2.226 77 I HA -0.448 3.852 4.170 0.218 0.000 0.245 77 I C 2.095 178.368 176.117 0.260 0.000 1.100 77 I CA 1.207 62.626 61.300 0.199 0.000 1.374 77 I CB -1.631 36.490 38.000 0.201 0.000 1.057 77 I HN -0.563 7.696 8.210 0.082 0.000 0.413 78 N N -0.295 118.501 118.700 0.160 0.000 2.149 78 N HA -0.371 4.473 4.740 0.174 0.000 0.188 78 N C 2.274 177.868 175.510 0.140 0.000 1.019 78 N CA 3.310 56.444 53.050 0.140 0.000 0.857 78 N CB 0.071 38.586 38.487 0.047 0.000 0.997 78 N HN -0.111 8.332 8.380 0.106 0.000 0.426 79 S N -0.971 114.784 115.700 0.092 0.000 2.402 79 S HA -0.218 4.261 4.470 0.015 0.000 0.229 79 S C 1.809 176.410 174.600 0.002 0.000 1.021 79 S CA 3.447 61.670 58.200 0.037 0.000 0.974 79 S CB -1.035 62.188 63.200 0.038 0.000 0.800 79 S HN -0.118 8.132 8.310 0.092 0.115 0.484 80 C N 3.106 122.447 119.300 0.068 0.000 2.446 80 C HA -0.325 4.144 4.460 0.016 0.000 0.277 80 C C 1.483 176.440 174.990 -0.056 0.000 1.275 80 C CA 3.499 62.538 59.018 0.034 0.000 1.727 80 C CB -2.289 25.501 27.740 0.084 0.000 2.010 80 C HN -0.679 7.518 8.230 0.119 0.104 0.486 81 F N -0.579 119.385 119.950 0.024 0.000 2.171 81 F HA -0.401 4.150 4.527 0.040 0.000 0.300 81 F C 2.521 178.300 175.800 -0.036 0.000 1.090 81 F CA 4.261 62.266 58.000 0.007 0.000 1.293 81 F CB -0.455 38.538 39.000 -0.011 0.000 1.013 81 F HN -0.584 7.882 8.300 0.277 0.000 0.486 82 R N -0.403 120.150 120.500 0.089 0.000 2.081 82 R HA -0.396 3.962 4.340 0.031 0.000 0.235 82 R C 1.337 177.568 176.300 -0.115 0.000 1.131 82 R CA 2.786 58.884 56.100 -0.003 0.000 0.960 82 R CB -0.155 30.136 30.300 -0.015 0.000 0.856 82 R HN 0.178 8.513 8.270 0.109 0.000 0.436 83 A N -2.801 119.837 122.820 -0.304 0.000 1.898 83 A HA -0.093 3.978 4.320 -0.414 0.000 0.214 83 A C 1.001 178.277 177.584 -0.513 0.000 1.183 83 A CA 2.228 53.889 52.037 -0.626 0.000 0.622 83 A CB 0.649 18.869 19.000 -1.300 0.000 0.824 83 A HN -0.445 7.527 8.150 -0.296 0.000 0.444 84 F N -5.616 114.331 119.950 -0.006 0.000 2.767 84 F HA 0.172 4.691 4.527 -0.012 0.000 0.323 84 F C 0.791 176.560 175.800 -0.051 0.000 1.091 84 F CA -0.021 57.959 58.000 -0.032 0.000 1.192 84 F CB 1.965 40.935 39.000 -0.051 0.000 1.056 84 F HN -0.434 7.733 8.300 -0.222 0.000 0.571 85 G N -0.765 108.089 108.800 0.090 0.000 2.162 85 G HA2 -0.394 3.628 3.960 0.103 0.000 0.260 85 G HA3 -0.394 3.758 3.960 0.170 -0.090 0.260 85 G C -1.359 173.563 174.900 0.036 0.000 0.976 85 G CA 0.240 45.404 45.100 0.105 0.000 0.655 85 G HN -0.054 8.166 8.290 0.058 0.105 0.533 86 R N -5.244 115.076 120.500 -0.299 0.000 2.741 86 R HA 0.206 4.206 4.340 -0.567 0.000 0.276 86 R C -2.758 173.044 176.300 -0.831 0.000 1.028 86 R CA -0.999 54.789 56.100 -0.520 0.000 0.865 86 R CB 1.777 31.987 30.300 -0.150 0.000 1.268 86 R HN -0.912 7.133 8.270 -0.291 0.051 0.475 87 C N 2.028 120.901 119.300 -0.711 0.000 2.892 87 C HA 0.399 4.751 4.460 -0.180 0.000 0.360 87 C C -1.703 173.262 174.990 -0.042 0.000 1.054 87 C CA -0.051 58.762 59.018 -0.342 0.000 1.326 87 C CB -0.257 27.272 27.740 -0.353 0.000 1.806 87 C HN 0.686 8.579 8.230 -0.560 0.000 0.490 88 D N 6.400 126.883 120.400 0.138 0.000 2.324 88 D HA 0.110 4.863 4.640 0.188 0.000 0.212 88 D C -0.729 175.824 176.300 0.423 0.000 0.984 88 D CA 1.704 55.852 54.000 0.245 0.000 0.885 88 D CB 1.701 42.625 40.800 0.208 0.000 0.996 88 D HN 0.342 8.789 8.370 0.127 0.000 0.505 89 V N -2.845 117.268 119.914 0.332 0.000 2.760 89 V HA 0.918 5.310 4.120 0.023 -0.258 0.309 89 V C -2.362 173.718 176.094 -0.024 0.000 1.077 89 V CA -2.026 60.320 62.300 0.076 0.000 0.910 89 V CB 3.923 35.690 31.823 -0.093 0.000 1.008 89 V HN -0.619 7.754 8.190 0.306 0.000 0.424 90 L N 7.613 128.652 121.223 -0.307 0.000 2.356 90 L HA 0.646 5.048 4.340 -0.136 -0.144 0.277 90 L C -2.446 174.287 176.870 -0.229 0.000 0.996 90 L CA -1.336 53.332 54.840 -0.286 0.000 0.822 90 L CB 3.632 45.388 42.059 -0.506 0.000 1.256 90 L HN 0.055 8.026 8.230 -0.433 0.000 0.413 91 V N 7.109 126.940 119.914 -0.138 0.000 2.350 91 V HA 0.517 4.776 4.120 -0.126 -0.215 0.285 91 V C -1.518 174.529 176.094 -0.078 0.000 1.014 91 V CA -2.065 60.169 62.300 -0.110 0.000 0.831 91 V CB 0.810 32.580 31.823 -0.089 0.000 1.000 91 V HN 0.772 8.899 8.190 -0.104 0.000 0.433 92 N N 8.532 127.182 118.700 -0.083 0.000 2.555 92 N HA 0.227 4.930 4.740 -0.061 0.000 0.244 92 N C -0.912 174.577 175.510 -0.036 0.000 1.114 92 N CA 0.114 53.127 53.050 -0.061 0.000 0.963 92 N CB -0.402 38.045 38.487 -0.066 0.000 1.276 92 N HN 0.129 8.452 8.380 -0.096 0.000 0.510 93 N N 4.471 123.164 118.700 -0.012 0.000 2.516 93 N HA 0.035 4.772 4.740 -0.005 0.000 0.197 93 N C 0.033 175.564 175.510 0.035 0.000 1.064 93 N CA 0.056 53.110 53.050 0.007 0.000 0.866 93 N CB 1.519 40.014 38.487 0.013 0.000 1.255 93 N HN 0.057 8.432 8.380 -0.007 0.000 0.447 94 A N -0.110 122.747 122.820 0.060 0.000 2.531 94 A HA -0.137 4.254 4.320 0.118 0.000 0.236 94 A C -1.983 175.651 177.584 0.083 0.000 1.062 94 A CA 1.348 53.445 52.037 0.100 0.000 0.760 94 A CB 0.347 19.427 19.000 0.134 0.000 0.995 94 A HN -0.389 7.792 8.150 0.053 0.000 0.501 95 S N 0.146 115.914 115.700 0.114 0.000 2.584 95 S HA 0.008 4.553 4.470 0.125 0.000 0.280 95 S C -1.109 173.602 174.600 0.186 0.000 1.162 95 S CA 0.073 58.357 58.200 0.140 0.000 0.951 95 S CB 1.797 65.085 63.200 0.147 0.000 1.108 95 S HN -0.154 8.232 8.310 0.127 0.000 0.464 96 A N 7.127 130.060 122.820 0.189 0.000 2.388 96 A HA 0.302 4.776 4.320 0.257 0.000 0.257 96 A C -2.063 175.671 177.584 0.251 0.000 1.095 96 A CA 0.224 52.389 52.037 0.212 0.000 0.791 96 A CB 1.261 20.355 19.000 0.157 0.000 1.029 96 A HN 0.211 8.454 8.150 0.155 0.000 0.489 97 F N 2.195 122.163 119.950 0.030 0.000 2.787 97 F HA 0.122 4.578 4.527 -0.118 0.000 0.340 97 F C -2.619 173.243 175.800 0.104 0.000 1.232 97 F CA -0.239 57.728 58.000 -0.055 0.000 1.051 97 F CB 1.842 40.764 39.000 -0.130 0.000 1.330 97 F HN -0.122 8.381 8.300 0.338 0.000 0.522 98 Y N 2.149 122.237 120.300 -0.353 0.000 2.687 98 Y HA 0.245 4.493 4.550 -0.503 0.000 0.338 98 Y C -3.032 172.352 175.900 -0.860 0.000 1.189 98 Y CA -4.103 53.717 58.100 -0.467 0.000 1.097 98 Y CB 0.021 38.352 38.460 -0.215 0.000 1.342 98 Y HN -0.442 7.474 8.280 -0.606 0.000 0.461 99 P HA 0.092 3.554 4.420 -1.732 -0.080 0.274 99 P C -1.246 175.840 177.300 -0.358 0.000 1.231 99 P CA -0.166 62.260 63.100 -1.124 0.000 0.790 99 P CB 1.182 32.336 31.700 -0.910 0.000 0.951 100 T N -2.205 112.171 114.554 -0.297 0.000 3.305 100 T HA 0.425 4.742 4.350 -0.054 0.000 0.348 100 T C -2.307 172.343 174.700 -0.083 0.000 1.394 100 T CA -2.791 59.248 62.100 -0.102 0.000 1.549 100 T CB -0.281 68.558 68.868 -0.048 0.000 0.962 100 T HN 0.507 8.511 8.240 -0.393 0.000 0.609 101 P HA 0.063 4.460 4.420 -0.038 0.000 0.268 101 P C 0.441 177.729 177.300 -0.019 0.000 1.205 101 P CA -0.241 62.834 63.100 -0.042 0.000 0.771 101 P CB 0.659 32.337 31.700 -0.036 0.000 0.858 102 L N 0.441 121.660 121.223 -0.006 0.000 2.240 102 L HA -0.063 4.276 4.340 -0.002 0.000 0.211 102 L C 0.459 177.329 176.870 -0.002 0.000 1.106 102 L CA 0.886 55.726 54.840 -0.001 0.000 0.793 102 L CB 0.231 42.294 42.059 0.006 0.000 0.927 102 L HN 0.147 8.376 8.230 -0.002 0.000 0.446 103 V N -1.072 118.840 119.914 -0.002 0.000 2.540 103 V HA 0.192 4.311 4.120 -0.002 0.000 0.302 103 V C -1.256 174.835 176.094 -0.005 0.000 1.035 103 V CA -0.257 62.042 62.300 -0.002 0.000 0.873 103 V CB 1.471 33.295 31.823 0.002 0.000 0.992 103 V HN -0.609 7.545 8.190 -0.002 0.034 0.428 115 T N 0.154 114.708 114.554 0.001 0.000 2.813 115 T HA -0.004 4.347 4.350 0.002 0.000 0.297 115 T C 1.243 175.955 174.700 0.021 0.000 1.036 115 T CA -0.524 61.581 62.100 0.008 0.000 1.044 115 T CB 1.474 70.348 68.868 0.010 0.000 0.993 115 T HN 0.231 8.473 8.240 0.003 0.000 0.535 116 V N 2.921 122.846 119.914 0.018 0.000 2.407 116 V HA -0.420 3.722 4.120 0.036 0.000 0.248 116 V C 1.606 177.719 176.094 0.031 0.000 1.055 116 V CA 2.529 64.845 62.300 0.026 0.000 1.049 116 V CB -0.353 31.480 31.823 0.015 0.000 0.662 116 V HN 0.325 8.522 8.190 0.012 0.000 0.455 117 E N -0.492 119.722 120.200 0.023 0.000 2.110 117 E HA -0.205 4.145 4.350 0.000 0.000 0.193 117 E C 2.201 178.823 176.600 0.036 0.000 0.988 117 E CA 2.388 58.802 56.400 0.024 0.000 0.804 117 E CB -1.487 28.223 29.700 0.016 0.000 0.745 117 E HN 0.619 nan 8.360 nan 0.000 0.458 118 T N 3.901 118.481 114.554 0.043 0.000 2.821 118 T HA -0.317 4.065 4.350 0.054 0.000 0.267 118 T C 1.628 176.389 174.700 0.100 0.000 1.046 118 T CA 4.197 66.333 62.100 0.060 0.000 1.139 118 T CB -0.001 68.898 68.868 0.051 0.000 0.871 118 T HN -0.448 7.814 8.240 0.036 0.000 0.454 119 Q N 2.086 121.957 119.800 0.118 0.000 2.084 119 Q HA -0.255 4.270 4.340 0.308 0.000 0.202 119 Q C 2.623 178.678 176.000 0.092 0.000 0.978 119 Q CA 3.065 58.980 55.803 0.187 0.000 0.844 119 Q CB 0.023 28.879 28.738 0.197 0.000 0.898 119 Q HN -0.431 7.895 8.270 0.092 0.000 0.426 120 V N 0.003 119.949 119.914 0.054 0.000 2.255 120 V HA -0.492 3.637 4.120 0.015 0.000 0.247 120 V C 1.899 178.008 176.094 0.026 0.000 1.051 120 V CA 3.772 66.087 62.300 0.026 0.000 1.018 120 V CB -0.965 30.868 31.823 0.017 0.000 0.641 120 V HN -0.032 8.191 8.190 0.054 0.000 0.445 121 A N -1.454 121.388 122.820 0.036 0.000 1.908 121 A HA -0.373 3.960 4.320 0.021 0.000 0.218 121 A C 2.587 180.194 177.584 0.038 0.000 1.181 121 A CA 3.363 55.419 52.037 0.032 0.000 0.627 121 A CB -0.770 18.250 19.000 0.034 0.000 0.818 121 A HN -0.207 7.968 8.150 0.042 0.000 0.445 122 E N -0.861 119.380 120.200 0.069 0.000 2.046 122 E HA -0.238 4.150 4.350 0.064 0.000 0.190 122 E C 2.792 179.418 176.600 0.043 0.000 0.982 122 E CA 2.832 59.282 56.400 0.083 0.000 0.800 122 E CB 0.186 29.997 29.700 0.185 0.000 0.756 122 E HN -0.367 8.046 8.360 0.087 0.000 0.449 123 L N -1.086 120.137 121.223 0.001 0.000 2.095 123 L HA -0.182 4.145 4.340 -0.023 0.000 0.204 123 L C 2.467 179.336 176.870 -0.002 0.000 1.080 123 L CA 3.055 57.874 54.840 -0.034 0.000 0.759 123 L CB 0.377 42.368 42.059 -0.112 0.000 0.914 123 L HN -0.171 8.066 8.230 0.011 0.000 0.439 124 I N -2.860 117.707 120.570 -0.005 0.000 2.406 124 I HA -0.183 3.975 4.170 -0.020 0.000 0.249 124 I C 2.204 178.319 176.117 -0.003 0.000 1.122 124 I CA 0.826 62.119 61.300 -0.011 0.000 1.431 124 I CB -1.546 36.445 38.000 -0.015 0.000 1.087 124 I HN -0.005 8.203 8.210 -0.003 0.000 0.424 125 G N -0.261 108.543 108.800 0.006 0.000 2.480 125 G HA2 -0.339 3.828 3.960 0.008 0.000 0.216 125 G HA3 -0.339 3.627 3.960 0.010 0.000 0.216 125 G C 1.261 176.165 174.900 0.007 0.000 1.200 125 G CA 2.750 47.855 45.100 0.008 0.000 0.782 125 G HN -0.120 8.176 8.290 0.009 0.000 0.554 126 T N 0.045 114.607 114.554 0.013 0.000 2.821 126 T HA -0.253 4.097 4.350 -0.001 0.000 0.267 126 T C 1.426 176.135 174.700 0.016 0.000 1.046 126 T CA 3.245 65.355 62.100 0.016 0.000 1.139 126 T CB -0.294 68.602 68.868 0.048 0.000 0.871 126 T HN -0.394 7.858 8.240 0.020 0.000 0.454 127 N N -0.132 118.577 118.700 0.015 0.000 2.446 127 N HA -0.061 4.680 4.740 0.002 0.000 0.179 127 N C -0.627 174.869 175.510 -0.022 0.000 1.054 127 N CA 2.503 55.548 53.050 -0.008 0.000 0.905 127 N CB 1.279 39.742 38.487 -0.040 0.000 0.973 127 N HN -0.653 7.736 8.380 0.016 0.000 0.448 128 A N -1.931 120.884 122.820 -0.008 0.000 1.703 128 A HA 0.230 4.551 4.320 0.003 0.000 0.211 128 A C 0.231 177.840 177.584 0.042 0.000 1.773 128 A CA 1.596 53.633 52.037 0.001 0.000 1.186 128 A CB 0.996 19.982 19.000 -0.024 0.000 1.117 128 A HN -0.687 7.417 8.150 -0.002 0.045 0.501 129 I N 0.254 120.845 120.570 0.035 0.000 2.202 129 I HA -0.326 3.907 4.170 0.104 0.000 0.242 129 I C 1.763 177.961 176.117 0.135 0.000 1.091 129 I CA 1.101 62.453 61.300 0.086 0.000 1.368 129 I CB -1.508 36.518 38.000 0.043 0.000 1.058 129 I HN -0.167 8.052 8.210 0.015 0.000 0.410 130 A N 0.039 122.893 122.820 0.057 0.000 1.877 130 A HA -0.047 4.288 4.320 0.026 0.000 0.216 130 A C -1.011 176.582 177.584 0.016 0.000 1.186 130 A CA 4.523 56.572 52.037 0.020 0.000 0.620 130 A CB -2.628 16.353 19.000 -0.032 0.000 0.822 130 A HN 0.369 8.540 8.150 0.035 0.000 0.443 131 P HA -0.262 4.330 4.420 -0.030 -0.190 0.216 131 P C 1.409 178.736 177.300 0.046 0.000 1.153 131 P CA 2.766 65.872 63.100 0.009 0.000 0.858 131 P CB -0.336 31.370 31.700 0.010 0.000 0.789 132 F N -0.923 119.006 119.950 -0.034 0.000 2.075 132 F HA -0.350 4.165 4.527 -0.020 0.000 0.297 132 F C 1.264 177.057 175.800 -0.012 0.000 1.113 132 F CA 3.782 61.770 58.000 -0.021 0.000 1.218 132 F CB 0.126 39.116 39.000 -0.017 0.000 0.984 132 F HN -0.602 7.846 8.300 0.247 0.000 0.472 133 L N -1.735 119.411 121.223 -0.128 0.000 2.093 133 L HA -0.382 3.681 4.340 -0.462 0.000 0.208 133 L C 2.325 179.089 176.870 -0.177 0.000 1.085 133 L CA 2.915 57.615 54.840 -0.232 0.000 0.755 133 L CB -0.313 41.734 42.059 -0.020 0.000 0.904 133 L HN -0.175 8.128 8.230 0.123 0.000 0.435 134 L N -1.379 119.785 121.223 -0.098 0.000 2.083 134 L HA -0.416 3.904 4.340 -0.033 0.000 0.209 134 L C 2.406 179.252 176.870 -0.039 0.000 1.083 134 L CA 3.498 58.304 54.840 -0.056 0.000 0.752 134 L CB -0.661 41.364 42.059 -0.058 0.000 0.899 134 L HN 0.343 8.529 8.230 -0.073 0.000 0.433 135 T N 1.310 115.803 114.554 -0.101 0.000 2.708 135 T HA -0.452 3.869 4.350 -0.047 0.000 0.266 135 T C 1.880 176.540 174.700 -0.066 0.000 1.037 135 T CA 4.559 66.611 62.100 -0.080 0.000 1.146 135 T CB -0.344 68.463 68.868 -0.101 0.000 0.865 135 T HN -0.162 8.006 8.240 -0.121 0.000 0.435 136 M N 1.807 121.260 119.600 -0.245 0.000 2.065 136 M HA -0.484 3.871 4.480 -0.210 0.000 0.259 136 M C 1.807 178.042 176.300 -0.108 0.000 1.069 136 M CA 4.406 59.562 55.300 -0.241 0.000 1.110 136 M CB -0.032 32.299 32.600 -0.448 0.000 1.328 136 M HN -0.151 7.914 8.290 -0.375 0.000 0.405 137 S N -0.432 115.222 115.700 -0.077 0.000 2.382 137 S HA -0.287 4.144 4.470 -0.066 0.000 0.228 137 S C 2.119 176.741 174.600 0.037 0.000 1.027 137 S CA 3.687 61.869 58.200 -0.031 0.000 0.991 137 S CB -0.574 62.618 63.200 -0.013 0.000 0.823 137 S HN -0.324 7.923 8.310 -0.105 0.000 0.469 138 F N 2.761 122.687 119.950 -0.040 0.000 2.069 138 F HA -0.503 4.075 4.527 0.085 0.000 0.298 138 F C 0.591 176.388 175.800 -0.005 0.000 1.113 138 F CA 3.404 61.416 58.000 0.018 0.000 1.214 138 F CB 0.223 39.226 39.000 0.005 0.000 0.978 138 F HN -0.171 8.256 8.300 0.211 0.000 0.474 139 A N -3.115 119.785 122.820 0.133 0.000 1.902 139 A HA -0.364 3.937 4.320 -0.031 0.000 0.217 139 A C 2.772 180.249 177.584 -0.177 0.000 1.181 139 A CA 2.820 54.840 52.037 -0.027 0.000 0.623 139 A CB -0.744 18.248 19.000 -0.014 0.000 0.818 139 A HN -0.179 8.102 8.150 0.219 0.000 0.443 140 Q N -2.080 117.628 119.800 -0.153 0.000 2.167 140 Q HA -0.265 3.954 4.340 -0.202 0.000 0.202 140 Q C 2.190 178.065 176.000 -0.209 0.000 0.970 140 Q CA 2.519 58.214 55.803 -0.182 0.000 0.855 140 Q CB 0.142 28.793 28.738 -0.145 0.000 0.911 140 Q HN -0.327 7.877 8.270 -0.111 0.000 0.438 141 R N -3.844 116.517 120.500 -0.231 0.000 2.299 141 R HA 0.029 4.153 4.340 -0.361 0.000 0.197 141 R C 0.481 176.607 176.300 -0.289 0.000 0.971 141 R CA -0.236 55.656 56.100 -0.347 0.000 1.030 141 R CB 0.115 30.125 30.300 -0.484 0.000 0.932 141 R HN -0.710 7.411 8.270 -0.199 0.029 0.477 153 N N 1.130 119.859 118.700 0.047 0.000 2.722 153 N HA 0.200 4.972 4.740 0.053 0.000 0.242 153 N C -1.049 174.522 175.510 0.102 0.000 1.398 153 N CA 0.691 53.778 53.050 0.060 0.000 0.755 153 N CB 0.141 38.655 38.487 0.045 0.000 1.268 153 N HN 0.215 8.624 8.380 0.049 0.000 0.522 154 L N 2.767 124.064 121.223 0.123 0.000 2.305 154 L HA 0.405 5.106 4.340 0.252 -0.210 0.281 154 L C -1.032 175.942 176.870 0.174 0.000 1.085 154 L CA -0.420 54.547 54.840 0.211 0.000 0.813 154 L CB 0.504 42.707 42.059 0.239 0.000 1.157 154 L HN 0.200 8.493 8.230 0.105 0.000 0.436 155 S N 1.851 117.637 115.700 0.144 0.000 2.588 155 S HA 0.834 5.464 4.470 0.006 -0.157 0.269 155 S C -2.086 172.395 174.600 -0.199 0.000 1.157 155 S CA -0.408 57.785 58.200 -0.012 0.000 0.824 155 S CB 3.636 66.817 63.200 -0.031 0.000 1.126 155 S HN 0.184 8.612 8.310 0.197 0.000 0.464 156 I N -0.386 120.045 120.570 -0.231 0.000 2.509 156 I HA 0.805 4.952 4.170 -0.373 -0.201 0.293 156 I C -1.394 174.617 176.117 -0.177 0.000 1.020 156 I CA -1.465 59.654 61.300 -0.301 0.000 1.088 156 I CB 3.807 41.603 38.000 -0.340 0.000 1.267 156 I HN 0.337 8.452 8.210 -0.157 0.000 0.430 157 V N 5.583 125.399 119.914 -0.162 0.000 2.444 157 V HA 0.529 4.806 4.120 -0.095 -0.214 0.294 157 V C -1.432 174.604 176.094 -0.096 0.000 1.022 157 V CA -2.411 59.823 62.300 -0.110 0.000 0.850 157 V CB 1.600 33.365 31.823 -0.095 0.000 0.992 157 V HN 0.556 8.633 8.190 -0.188 0.000 0.426 158 N N 6.755 125.410 118.700 -0.075 0.000 2.421 158 N HA 0.300 5.000 4.740 -0.067 0.000 0.285 158 N C -1.191 174.287 175.510 -0.052 0.000 1.027 158 N CA -1.230 51.782 53.050 -0.063 0.000 0.918 158 N CB 2.169 40.622 38.487 -0.056 0.000 1.152 158 N HN 0.402 8.740 8.380 -0.070 0.000 0.485 159 L N 3.548 124.743 121.223 -0.046 0.000 2.363 159 L HA 0.229 4.713 4.340 -0.042 -0.169 0.286 159 L C -0.165 176.677 176.870 -0.046 0.000 1.106 159 L CA -0.389 54.426 54.840 -0.041 0.000 0.859 159 L CB -2.371 39.668 42.059 -0.033 0.000 1.223 159 L HN -0.082 8.121 8.230 -0.045 0.000 0.446 160 C N 4.481 123.749 119.300 -0.054 0.000 2.370 160 C HA 0.087 4.496 4.460 -0.085 0.000 0.371 160 C C -1.536 173.415 174.990 -0.066 0.000 2.631 160 C CA -1.439 57.535 59.018 -0.073 0.000 1.819 160 C CB 1.912 29.607 27.740 -0.075 0.000 2.131 160 C HN 0.359 8.559 8.230 -0.050 0.000 0.400 161 D N -0.515 119.837 120.400 -0.080 0.000 2.763 161 D HA 0.061 4.787 4.640 -0.047 -0.114 0.235 161 D C -0.143 176.120 176.300 -0.061 0.000 1.334 161 D CA -0.383 53.584 54.000 -0.055 0.000 0.950 161 D CB 1.743 42.533 40.800 -0.016 0.000 1.433 161 D HN -0.333 7.976 8.370 -0.101 0.000 0.580 162 A N 5.794 128.586 122.820 -0.046 0.000 2.125 162 A HA -0.037 4.261 4.320 -0.038 0.000 0.219 162 A C 0.792 178.366 177.584 -0.017 0.000 1.156 162 A CA 2.415 54.432 52.037 -0.033 0.000 0.671 162 A CB 0.161 19.148 19.000 -0.022 0.000 0.794 162 A HN 0.787 8.908 8.150 -0.048 0.000 0.459 163 M N -3.889 115.707 119.600 -0.007 0.000 2.493 163 M HA 0.231 4.735 4.480 0.039 0.000 0.244 163 M C 0.997 177.317 176.300 0.034 0.000 1.182 163 M CA -2.192 53.125 55.300 0.029 0.000 0.981 163 M CB -1.615 31.012 32.600 0.046 0.000 1.551 163 M HN -0.419 8.109 8.290 -0.016 -0.248 0.476 164 V N 2.529 122.424 119.914 -0.032 0.000 2.568 164 V HA -0.327 3.769 4.120 -0.040 0.000 0.253 164 V C 0.070 176.191 176.094 0.045 0.000 1.072 164 V CA 2.824 65.068 62.300 -0.094 0.000 1.084 164 V CB -0.071 31.536 31.823 -0.361 0.000 0.676 164 V HN -0.521 7.551 8.190 -0.057 0.084 0.469 165 D N -3.115 117.326 120.400 0.068 0.000 2.363 165 D HA 0.116 4.896 4.640 0.235 0.000 0.214 165 D C -1.000 175.371 176.300 0.117 0.000 1.093 165 D CA 0.557 54.643 54.000 0.144 0.000 0.837 165 D CB 0.257 41.123 40.800 0.110 0.000 0.948 165 D HN 0.126 8.484 8.370 0.027 0.029 0.507 166 Q N -0.756 119.109 119.800 0.109 0.000 3.075 166 Q HA 0.373 4.777 4.340 0.107 0.000 0.318 166 Q C -2.519 173.560 176.000 0.131 0.000 0.907 166 Q CA -2.426 53.443 55.803 0.111 0.000 0.882 166 Q CB 1.225 30.024 28.738 0.102 0.000 1.386 166 Q HN -0.489 7.661 8.270 0.101 0.181 0.408 167 P HA 0.043 4.563 4.420 0.166 0.000 0.274 167 P C -0.473 176.927 177.300 0.166 0.000 1.237 167 P CA -0.523 62.677 63.100 0.166 0.000 0.793 167 P CB 0.835 32.646 31.700 0.184 0.000 0.977 168 C N 1.049 120.440 119.300 0.151 0.000 2.605 168 C HA 0.172 4.741 4.460 0.182 0.000 0.404 168 C C 0.802 175.957 174.990 0.275 0.000 1.284 168 C CA -0.004 59.106 59.018 0.152 0.000 2.199 168 C CB 0.384 28.056 27.740 -0.113 0.000 2.647 168 C HN 0.261 8.568 8.230 0.130 0.000 0.604 169 M N 4.863 124.618 119.600 0.259 0.000 2.284 169 M HA -0.168 4.424 4.480 0.187 0.000 0.351 169 M C 0.180 176.660 176.300 0.299 0.000 1.443 169 M CA 1.172 56.612 55.300 0.233 0.000 1.031 169 M CB 0.146 32.848 32.600 0.171 0.000 1.893 169 M HN 0.347 8.775 8.290 0.229 0.000 0.456 170 A N 2.481 125.413 122.820 0.186 0.000 3.028 170 A HA -0.354 3.991 4.320 0.041 0.000 0.248 170 A C -1.391 176.170 177.584 -0.040 0.000 1.316 170 A CA 1.295 53.367 52.037 0.059 0.000 1.003 170 A CB -2.080 16.912 19.000 -0.013 0.000 1.148 170 A HN 0.612 8.860 8.150 0.164 0.000 0.828 171 F N -2.357 117.613 119.950 0.033 0.000 2.925 171 F HA 0.161 4.680 4.527 -0.013 0.000 0.302 171 F C 0.249 176.105 175.800 0.093 0.000 1.189 171 F CA -1.017 57.006 58.000 0.040 0.000 1.346 171 F CB -0.296 38.736 39.000 0.055 0.000 0.954 171 F HN -0.547 7.938 8.300 0.392 0.051 0.506 172 S N 3.276 119.062 115.700 0.144 0.000 2.359 172 S HA -0.354 4.196 4.470 0.134 0.000 0.224 172 S C 1.559 176.215 174.600 0.094 0.000 1.035 172 S CA 3.387 61.654 58.200 0.113 0.000 1.018 172 S CB -0.715 62.518 63.200 0.056 0.000 0.876 172 S HN -0.053 8.246 8.310 0.084 0.061 0.448 173 L N 1.473 122.731 121.223 0.058 0.000 2.056 173 L HA -0.282 4.070 4.340 0.020 0.000 0.207 173 L C 1.897 178.804 176.870 0.062 0.000 1.078 173 L CA 2.838 57.697 54.840 0.031 0.000 0.749 173 L CB -0.356 41.698 42.059 -0.009 0.000 0.901 173 L HN -0.733 7.518 8.230 0.035 0.000 0.433 174 Y N -0.847 119.458 120.300 0.008 0.000 2.128 174 Y HA -0.516 4.054 4.550 0.034 0.000 0.284 174 Y C 1.257 177.228 175.900 0.117 0.000 1.154 174 Y CA 3.248 61.394 58.100 0.078 0.000 1.149 174 Y CB -0.417 38.167 38.460 0.206 0.000 0.976 174 Y HN -0.204 8.199 8.280 0.206 0.000 0.505 175 N N -0.982 117.760 118.700 0.071 0.000 2.120 175 N HA -0.413 4.240 4.740 -0.143 0.000 0.188 175 N C 2.278 177.815 175.510 0.045 0.000 1.024 175 N CA 3.394 56.457 53.050 0.023 0.000 0.852 175 N CB 0.193 38.806 38.487 0.210 0.000 1.003 175 N HN -0.343 8.205 8.380 0.279 0.000 0.424 176 M N -0.079 119.543 119.600 0.036 0.000 2.108 176 M HA -0.416 4.087 4.480 0.038 0.000 0.261 176 M C 1.971 178.265 176.300 -0.011 0.000 1.066 176 M CA 4.364 59.675 55.300 0.019 0.000 1.107 176 M CB -0.173 32.425 32.600 -0.003 0.000 1.356 176 M HN 0.381 8.699 8.290 0.047 0.000 0.406 177 G N -1.393 107.362 108.800 -0.075 0.000 2.421 177 G HA2 -0.399 3.493 3.960 -0.114 0.000 0.216 177 G HA3 -0.399 3.524 3.960 -0.062 0.000 0.216 177 G C 1.131 175.947 174.900 -0.139 0.000 1.171 177 G CA 2.107 47.148 45.100 -0.099 0.000 0.775 177 G HN 0.017 8.260 8.290 -0.079 0.000 0.543 178 K N 1.200 121.442 120.400 -0.264 0.000 2.097 178 K HA -0.223 3.961 4.320 -0.226 0.000 0.205 178 K C 2.388 178.882 176.600 -0.176 0.000 1.050 178 K CA 2.406 58.533 56.287 -0.267 0.000 0.938 178 K CB -0.766 31.478 32.500 -0.428 0.000 0.718 178 K HN -0.359 7.675 8.250 -0.360 0.000 0.442 179 H N -0.436 118.561 119.070 -0.122 0.000 2.353 179 H HA -0.241 4.278 4.556 -0.063 0.000 0.300 179 H C 2.060 177.351 175.328 -0.062 0.000 1.090 179 H CA 3.911 59.916 56.048 -0.073 0.000 1.327 179 H CB 0.379 30.109 29.762 -0.054 0.000 1.383 179 H HN -0.172 8.125 8.280 0.029 0.000 0.508 180 A N -0.845 122.008 122.820 0.055 0.000 1.940 180 A HA -0.286 4.042 4.320 0.013 0.000 0.219 180 A C 2.027 179.604 177.584 -0.012 0.000 1.176 180 A CA 3.004 55.044 52.037 0.006 0.000 0.631 180 A CB -0.760 18.227 19.000 -0.022 0.000 0.814 180 A HN 0.027 8.211 8.150 0.056 0.000 0.446 181 L N -1.517 119.685 121.223 -0.034 0.000 2.083 181 L HA -0.271 4.058 4.340 -0.018 0.000 0.209 181 L C 1.584 178.433 176.870 -0.036 0.000 1.083 181 L CA 2.848 57.666 54.840 -0.037 0.000 0.752 181 L CB -0.143 41.878 42.059 -0.063 0.000 0.899 181 L HN -0.486 7.611 8.230 -0.049 0.104 0.433 182 V N -1.228 118.655 119.914 -0.051 0.000 2.295 182 V HA -0.525 3.567 4.120 -0.046 0.000 0.246 182 V C 1.954 178.042 176.094 -0.011 0.000 1.049 182 V CA 4.124 66.398 62.300 -0.042 0.000 1.024 182 V CB -1.137 30.648 31.823 -0.063 0.000 0.648 182 V HN -0.544 7.522 8.190 -0.067 0.084 0.447 183 G N -0.861 107.942 108.800 0.004 0.000 2.440 183 G HA2 -0.340 3.626 3.960 0.011 0.000 0.218 183 G HA3 -0.340 3.627 3.960 0.013 0.000 0.218 183 G C 1.129 176.038 174.900 0.015 0.000 1.154 183 G CA 2.236 47.342 45.100 0.011 0.000 0.767 183 G HN -0.512 7.783 8.290 0.008 0.000 0.552 184 L N 0.932 122.167 121.223 0.019 0.000 2.012 184 L HA -0.256 4.125 4.340 0.069 0.000 0.210 184 L C 1.841 178.731 176.870 0.033 0.000 1.073 184 L CA 3.031 57.900 54.840 0.049 0.000 0.748 184 L CB -0.332 41.768 42.059 0.069 0.000 0.891 184 L HN -0.011 8.225 8.230 0.011 0.000 0.431 185 T N 1.157 115.715 114.554 0.007 0.000 2.665 185 T HA -0.453 3.890 4.350 -0.011 0.000 0.268 185 T C 2.413 177.112 174.700 -0.001 0.000 1.035 185 T CA 4.954 67.050 62.100 -0.007 0.000 1.151 185 T CB -0.629 68.227 68.868 -0.021 0.000 0.862 185 T HN -0.199 8.041 8.240 0.001 0.000 0.438 186 Q N 0.602 120.403 119.800 0.003 0.000 2.049 186 Q HA -0.309 4.030 4.340 -0.002 0.000 0.198 186 Q C 2.730 178.738 176.000 0.013 0.000 0.971 186 Q CA 3.726 59.531 55.803 0.004 0.000 0.833 186 Q CB -0.146 28.594 28.738 0.004 0.000 0.896 186 Q HN -0.349 7.923 8.270 0.003 0.000 0.434 187 S N 0.818 116.533 115.700 0.025 0.000 2.356 187 S HA -0.236 4.253 4.470 0.032 0.000 0.223 187 S C 2.050 176.680 174.600 0.050 0.000 1.032 187 S CA 3.642 61.865 58.200 0.039 0.000 1.005 187 S CB -0.453 62.778 63.200 0.052 0.000 0.867 187 S HN 0.016 8.341 8.310 0.025 0.000 0.449 188 A N 0.986 123.839 122.820 0.055 0.000 1.930 188 A HA -0.282 4.083 4.320 0.075 0.000 0.217 188 A C 1.402 179.011 177.584 0.042 0.000 1.175 188 A CA 2.765 54.837 52.037 0.058 0.000 0.627 188 A CB -0.639 18.390 19.000 0.048 0.000 0.815 188 A HN 0.069 8.250 8.150 0.053 0.000 0.443 189 A N -0.209 122.622 122.820 0.018 0.000 1.883 189 A HA -0.290 4.032 4.320 0.003 0.000 0.217 189 A C 1.773 179.359 177.584 0.003 0.000 1.186 189 A CA 2.907 54.946 52.037 0.003 0.000 0.624 189 A CB -0.581 18.409 19.000 -0.017 0.000 0.822 189 A HN -0.417 7.741 8.150 0.014 0.000 0.444 190 L N -2.003 119.224 121.223 0.007 0.000 2.017 190 L HA -0.326 4.005 4.340 -0.015 0.000 0.208 190 L C 1.877 178.756 176.870 0.014 0.000 1.073 190 L CA 2.908 57.749 54.840 0.001 0.000 0.745 190 L CB 0.048 42.111 42.059 0.006 0.000 0.894 190 L HN -0.501 7.736 8.230 0.010 0.000 0.432 191 E N -1.627 118.601 120.200 0.047 0.000 2.152 191 E HA -0.222 4.165 4.350 0.060 0.000 0.192 191 E C 1.480 178.164 176.600 0.139 0.000 0.983 191 E CA 2.572 59.021 56.400 0.081 0.000 0.818 191 E CB 0.517 30.278 29.700 0.103 0.000 0.758 191 E HN -0.484 7.905 8.360 0.049 0.000 0.467 192 L N -3.019 118.291 121.223 0.144 0.000 2.567 192 L HA 0.162 4.782 4.340 0.467 0.000 0.225 192 L C 1.174 178.132 176.870 0.147 0.000 1.119 192 L CA 0.241 55.231 54.840 0.250 0.000 0.871 192 L CB 0.275 42.455 42.059 0.201 0.000 1.036 192 L HN -0.248 8.044 8.230 0.102 0.000 0.459 193 A N 1.160 124.000 122.820 0.033 0.000 1.917 193 A HA -0.128 4.187 4.320 -0.009 0.000 0.219 193 A C -0.637 176.895 177.584 -0.087 0.000 1.182 193 A CA 4.299 56.319 52.037 -0.028 0.000 0.633 193 A CB -2.738 16.227 19.000 -0.059 0.000 0.819 193 A HN -0.320 7.846 8.150 0.027 0.000 0.448 194 P HA -0.153 4.130 4.420 -0.229 0.000 0.222 194 P C -0.291 176.781 177.300 -0.380 0.000 1.147 194 P CA 2.043 64.928 63.100 -0.358 0.000 0.790 194 P CB -0.297 31.061 31.700 -0.570 0.000 0.780 195 Y N -4.353 115.955 120.300 0.012 0.000 2.466 195 Y HA 0.018 4.575 4.550 0.012 0.000 0.272 195 Y C 0.994 176.909 175.900 0.025 0.000 1.169 195 Y CA -0.559 57.552 58.100 0.017 0.000 1.285 195 Y CB -0.211 38.262 38.460 0.023 0.000 1.078 195 Y HN -0.421 7.607 8.280 -0.162 0.155 0.523 196 G N -0.769 108.096 108.800 0.108 0.000 2.153 196 G HA2 -0.459 3.549 3.960 0.080 0.000 0.252 196 G HA3 -0.459 3.528 3.960 0.046 0.000 0.252 196 G C -0.658 174.305 174.900 0.105 0.000 0.994 196 G CA 0.496 45.645 45.100 0.082 0.000 0.698 196 G HN -0.355 7.785 8.290 0.055 0.182 0.521 197 I N 0.558 121.213 120.570 0.141 0.000 2.312 197 I HA -0.039 4.407 4.170 0.165 -0.178 0.290 197 I C -0.702 175.465 176.117 0.083 0.000 1.008 197 I CA -0.614 60.781 61.300 0.159 0.000 1.226 197 I CB 0.277 38.425 38.000 0.247 0.000 1.371 197 I HN -0.900 7.364 8.210 0.160 0.042 0.468 198 R N 6.639 127.164 120.500 0.041 0.000 2.531 198 R HA 0.143 4.473 4.340 -0.016 0.000 0.273 198 R C -1.264 175.018 176.300 -0.030 0.000 1.070 198 R CA -0.504 55.590 56.100 -0.010 0.000 1.112 198 R CB 1.827 32.107 30.300 -0.034 0.000 1.049 198 R HN -0.186 8.115 8.270 0.052 0.000 0.508 199 V N 1.747 121.636 119.914 -0.040 0.000 2.524 199 V HA 0.517 4.769 4.120 -0.077 -0.178 0.297 199 V C -1.676 174.388 176.094 -0.049 0.000 1.035 199 V CA -1.193 61.075 62.300 -0.054 0.000 0.867 199 V CB 1.395 33.196 31.823 -0.036 0.000 1.004 199 V HN 0.080 8.247 8.190 -0.039 0.000 0.426 200 N N 5.589 124.254 118.700 -0.058 0.000 2.697 200 N HA 0.640 5.434 4.740 -0.033 -0.074 0.272 200 N C -1.918 173.566 175.510 -0.042 0.000 1.381 200 N CA -1.014 52.011 53.050 -0.042 0.000 0.797 200 N CB 5.242 43.705 38.487 -0.040 0.000 1.523 200 N HN 0.424 8.761 8.380 -0.072 0.000 0.518 201 G N -2.622 106.162 108.800 -0.028 0.000 2.574 201 G HA2 0.746 4.686 3.960 -0.033 0.000 0.299 201 G HA3 0.746 4.846 3.960 -0.039 -0.163 0.299 201 G C -2.781 172.110 174.900 -0.015 0.000 1.298 201 G CA -0.948 44.134 45.100 -0.030 0.000 0.952 201 G HN 0.463 8.742 8.290 -0.018 0.000 0.477 202 V N 0.691 120.592 119.914 -0.021 0.000 2.444 202 V HA 0.492 4.774 4.120 -0.002 -0.164 0.294 202 V C -2.103 173.974 176.094 -0.028 0.000 1.022 202 V CA -2.129 60.163 62.300 -0.014 0.000 0.850 202 V CB 2.851 34.668 31.823 -0.010 0.000 0.992 202 V HN 0.049 8.221 8.190 -0.031 0.000 0.426 203 A N 8.274 131.077 122.820 -0.028 0.000 2.508 203 A HA 0.640 4.932 4.320 -0.046 0.000 0.336 203 A C -2.980 174.579 177.584 -0.041 0.000 1.360 203 A CA -3.364 48.649 52.037 -0.040 0.000 0.841 203 A CB 0.261 19.236 19.000 -0.041 0.000 1.136 203 A HN 0.724 8.862 8.150 -0.020 0.000 0.489 204 P HA 0.208 4.785 4.420 -0.052 -0.189 0.272 204 P C 0.214 177.472 177.300 -0.070 0.000 1.230 204 P CA -0.424 62.638 63.100 -0.063 0.000 0.788 204 P CB 0.981 32.630 31.700 -0.084 0.000 0.949 205 G N 0.089 108.849 108.800 -0.068 0.000 2.600 205 G HA2 0.072 4.009 3.960 -0.039 0.000 0.225 205 G HA3 0.072 3.993 3.960 -0.065 0.000 0.225 205 G C -1.244 173.571 174.900 -0.141 0.000 1.623 205 G CA 0.253 45.311 45.100 -0.070 0.000 0.903 205 G HN -0.089 8.166 8.290 -0.059 0.000 0.574 206 V N -2.890 116.952 119.914 -0.119 0.000 2.384 206 V HA 0.378 4.340 4.120 -0.264 0.000 0.287 206 V C -1.827 174.197 176.094 -0.117 0.000 1.020 206 V CA -1.701 60.491 62.300 -0.181 0.000 0.850 206 V CB 0.995 32.711 31.823 -0.178 0.000 0.987 206 V HN -0.262 7.890 8.190 -0.064 0.000 0.436 207 S N 7.618 123.234 115.700 -0.141 0.000 3.617 207 S HA 0.320 4.965 4.470 -0.075 -0.221 0.220 207 S C -0.821 173.714 174.600 -0.108 0.000 1.040 207 S CA -1.742 56.396 58.200 -0.102 0.000 1.454 207 S CB 1.219 64.363 63.200 -0.094 0.000 1.045 207 S HN 0.260 8.459 8.310 -0.185 0.000 0.658 208 L N 2.139 123.304 121.223 -0.096 0.000 2.584 208 L HA -0.144 4.158 4.340 -0.063 0.000 0.272 208 L C -0.627 176.174 176.870 -0.115 0.000 1.195 208 L CA 0.676 55.466 54.840 -0.083 0.000 0.920 208 L CB -0.258 41.762 42.059 -0.065 0.000 1.173 208 L HN -0.027 8.150 8.230 -0.089 0.000 0.489 209 L N 5.983 127.151 121.223 -0.091 0.000 2.453 209 L HA 0.164 4.397 4.340 -0.179 0.000 0.261 209 L C -1.452 175.374 176.870 -0.073 0.000 1.179 209 L CA -1.878 52.895 54.840 -0.110 0.000 0.813 209 L CB -0.663 41.361 42.059 -0.059 0.000 1.110 209 L HN 0.101 8.293 8.230 -0.063 0.000 0.466 210 P HA -0.028 4.383 4.420 -0.015 0.000 0.266 210 P C 0.216 177.529 177.300 0.022 0.000 1.195 210 P CA -0.326 62.774 63.100 -0.000 0.000 0.768 210 P CB 0.481 32.226 31.700 0.075 0.000 0.838 211 V N 3.676 123.605 119.914 0.026 0.000 2.392 211 V HA -0.397 3.735 4.120 0.020 0.000 0.249 211 V C 0.785 176.903 176.094 0.040 0.000 1.059 211 V CA 2.352 64.669 62.300 0.027 0.000 1.051 211 V CB 0.007 31.845 31.823 0.025 0.000 0.658 211 V HN 0.162 8.367 8.190 0.024 0.000 0.455 212 A N -3.420 119.434 122.820 0.056 0.000 2.208 212 A HA -0.014 4.334 4.320 0.047 0.000 0.209 212 A C -0.227 177.397 177.584 0.066 0.000 1.161 212 A CA 0.136 52.208 52.037 0.058 0.000 0.782 212 A CB -0.379 18.660 19.000 0.066 0.000 0.816 212 A HN -0.432 7.743 8.150 0.065 0.015 0.477 213 M N 1.115 120.759 119.600 0.074 0.000 2.228 213 M HA -0.101 4.439 4.480 0.100 0.000 0.351 213 M C -0.060 176.284 176.300 0.073 0.000 1.233 213 M CA 0.558 55.911 55.300 0.088 0.000 1.129 213 M CB 1.041 33.699 32.600 0.095 0.000 1.604 213 M HN -0.811 7.357 8.290 0.069 0.163 0.457 214 G N 3.630 112.476 108.800 0.078 0.000 2.569 214 G HA2 0.026 4.112 3.960 0.059 0.000 0.249 214 G HA3 0.026 4.017 3.960 0.052 0.000 0.249 214 G C 0.269 175.208 174.900 0.065 0.000 1.216 214 G CA -0.806 44.331 45.100 0.062 0.000 0.845 214 G HN 0.005 8.348 8.290 0.088 0.000 0.568 215 E N 1.590 121.819 120.200 0.049 0.000 2.085 215 E HA -0.401 3.979 4.350 0.050 0.000 0.194 215 E C 2.076 178.707 176.600 0.051 0.000 0.994 215 E CA 3.799 60.226 56.400 0.046 0.000 0.801 215 E CB -0.359 29.361 29.700 0.033 0.000 0.743 215 E HN 0.500 8.885 8.360 0.042 0.000 0.453 216 E N -3.122 117.105 120.200 0.045 0.000 2.106 216 E HA -0.254 4.115 4.350 0.032 0.000 0.192 216 E C 2.330 178.961 176.600 0.052 0.000 0.984 216 E CA 3.186 59.608 56.400 0.037 0.000 0.806 216 E CB -1.162 28.555 29.700 0.027 0.000 0.750 216 E HN 0.511 8.896 8.360 0.042 0.000 0.458 217 E N 0.674 120.922 120.200 0.080 0.000 2.107 217 E HA -0.205 4.193 4.350 0.079 0.000 0.191 217 E C 2.263 178.991 176.600 0.212 0.000 0.982 217 E CA 2.912 59.388 56.400 0.127 0.000 0.809 217 E CB -0.682 29.116 29.700 0.163 0.000 0.756 217 E HN -0.607 7.786 8.360 0.078 0.014 0.459 218 K N -0.627 119.878 120.400 0.175 0.000 2.057 218 K HA -0.309 4.160 4.320 0.248 0.000 0.207 218 K C 2.175 178.871 176.600 0.161 0.000 1.049 218 K CA 3.445 59.841 56.287 0.182 0.000 0.931 218 K CB -0.172 32.388 32.500 0.100 0.000 0.714 218 K HN -0.343 7.987 8.250 0.133 0.000 0.440 219 D N -1.252 119.206 120.400 0.096 0.000 2.144 219 D HA -0.213 4.467 4.640 0.067 0.000 0.200 219 D C 1.869 178.197 176.300 0.047 0.000 0.978 219 D CA 3.070 57.108 54.000 0.063 0.000 0.833 219 D CB -0.483 40.338 40.800 0.036 0.000 0.961 219 D HN -0.335 8.085 8.370 0.084 0.000 0.470 220 K N 0.953 121.364 120.400 0.019 0.000 2.032 220 K HA -0.299 3.970 4.320 -0.084 0.000 0.209 220 K C 2.143 178.673 176.600 -0.116 0.000 1.048 220 K CA 3.238 59.473 56.287 -0.087 0.000 0.927 220 K CB -0.093 32.307 32.500 -0.166 0.000 0.712 220 K HN -0.661 7.610 8.250 0.035 0.000 0.441 221 W N -3.038 118.259 121.300 -0.004 0.000 2.381 221 W HA -0.311 4.343 4.660 -0.011 0.000 0.301 221 W C 2.893 179.403 176.519 -0.015 0.000 1.205 221 W CA 2.965 60.303 57.345 -0.011 0.000 1.285 221 W CB 0.057 29.509 29.460 -0.013 0.000 1.133 221 W HN -0.634 7.666 8.180 0.200 0.000 0.521 222 R N -1.173 119.456 120.500 0.214 0.000 2.091 222 R HA -0.495 3.918 4.340 0.122 0.000 0.238 222 R C 1.962 178.304 176.300 0.069 0.000 1.136 222 R CA 3.617 59.787 56.100 0.118 0.000 0.959 222 R CB -0.245 30.102 30.300 0.079 0.000 0.856 222 R HN -0.305 8.097 8.270 0.220 0.000 0.437 223 R N -5.014 115.508 120.500 0.037 0.000 2.285 223 R HA -0.160 4.184 4.340 0.006 0.000 0.213 223 R C 1.263 177.557 176.300 -0.010 0.000 1.068 223 R CA 1.626 57.728 56.100 0.003 0.000 1.004 223 R CB -1.084 29.204 30.300 -0.019 0.000 0.873 223 R HN -0.493 7.783 8.270 0.038 0.017 0.467 224 K N -2.581 117.820 120.400 0.002 0.000 2.365 224 K HA -0.069 4.226 4.320 -0.042 0.000 0.197 224 K C 0.017 176.629 176.600 0.021 0.000 1.042 224 K CA 0.929 57.212 56.287 -0.008 0.000 0.987 224 K CB 0.339 32.835 32.500 -0.008 0.000 0.779 224 K HN -0.592 7.501 8.250 0.027 0.173 0.484 225 V N 2.111 122.051 119.914 0.044 0.000 2.427 225 V HA 0.092 4.237 4.120 0.042 0.000 0.268 225 V C -1.129 174.972 176.094 0.012 0.000 1.046 225 V CA -2.311 60.012 62.300 0.037 0.000 0.970 225 V CB -0.972 30.878 31.823 0.045 0.000 1.001 225 V HN -0.870 7.303 8.190 0.051 0.048 0.476 226 P HA -0.164 4.248 4.420 -0.013 0.000 0.215 226 P C -0.386 176.912 177.300 -0.004 0.000 1.153 226 P CA 2.214 65.310 63.100 -0.008 0.000 0.853 226 P CB 0.269 31.962 31.700 -0.012 0.000 0.788 227 L N -1.122 120.100 121.223 -0.001 0.000 2.356 227 L HA -0.072 4.266 4.340 -0.005 0.000 0.282 227 L C -0.004 176.865 176.870 -0.001 0.000 1.132 227 L CA -0.493 54.345 54.840 -0.003 0.000 0.923 227 L CB -1.041 41.015 42.059 -0.005 0.000 1.278 227 L HN -0.614 7.617 8.230 0.001 0.000 0.436 228 G N 5.835 114.634 108.800 -0.001 0.000 2.176 228 G HA2 -0.346 3.614 3.960 0.001 0.000 0.253 228 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.253 228 G C 0.155 175.058 174.900 0.005 0.000 0.979 228 G CA -0.128 44.973 45.100 0.001 0.000 0.641 228 G HN -0.114 8.175 8.290 -0.002 0.000 0.530 229 R N -3.217 117.288 120.500 0.008 0.000 3.416 229 R HA -0.486 4.103 4.340 0.018 -0.237 0.263 229 R C -1.406 174.907 176.300 0.022 0.000 1.053 229 R CA 0.957 57.066 56.100 0.014 0.000 0.705 229 R CB -2.651 27.653 30.300 0.007 0.000 1.124 229 R HN -0.195 8.015 8.270 0.007 0.064 0.444 230 R N -4.258 116.256 120.500 0.023 0.000 2.739 230 R HA 0.237 4.595 4.340 0.030 0.000 0.271 230 R C -2.341 173.972 176.300 0.022 0.000 1.010 230 R CA -1.766 54.348 56.100 0.023 0.000 0.897 230 R CB 2.728 33.035 30.300 0.012 0.000 1.236 230 R HN -0.483 7.787 8.270 0.020 0.012 0.466 231 E N 0.307 120.517 120.200 0.018 0.000 2.392 231 E HA -0.101 4.336 4.350 0.003 -0.085 0.259 231 E C -0.607 175.986 176.600 -0.012 0.000 1.108 231 E CA -0.621 55.778 56.400 -0.000 0.000 0.916 231 E CB 0.552 30.243 29.700 -0.015 0.000 0.989 231 E HN -0.039 8.333 8.360 0.021 0.000 0.432 232 A N 1.095 123.900 122.820 -0.025 0.000 2.477 232 A HA 0.006 4.461 4.320 -0.020 -0.148 0.246 232 A C 0.209 177.776 177.584 -0.028 0.000 1.078 232 A CA 0.066 52.088 52.037 -0.026 0.000 0.770 232 A CB 0.803 19.783 19.000 -0.034 0.000 1.011 232 A HN -0.013 8.118 8.150 -0.031 0.000 0.494 233 S N 1.570 117.257 115.700 -0.021 0.000 2.584 233 S HA 0.028 4.485 4.470 -0.022 0.000 0.270 233 S C 1.498 176.083 174.600 -0.025 0.000 1.346 233 S CA -0.216 57.972 58.200 -0.021 0.000 1.018 233 S CB 1.358 64.550 63.200 -0.014 0.000 0.899 233 S HN -0.025 8.555 8.310 -0.018 -0.281 0.542 234 A N 1.425 124.230 122.820 -0.025 0.000 1.978 234 A HA -0.214 4.087 4.320 -0.031 0.000 0.220 234 A C 2.478 180.052 177.584 -0.017 0.000 1.170 234 A CA 3.116 55.139 52.037 -0.025 0.000 0.636 234 A CB -0.403 18.583 19.000 -0.023 0.000 0.810 234 A HN 0.712 8.848 8.150 -0.023 0.000 0.448 235 E N -2.045 118.148 120.200 -0.012 0.000 2.106 235 E HA -0.391 3.957 4.350 -0.003 0.000 0.192 235 E C 2.569 179.166 176.600 -0.006 0.000 0.984 235 E CA 3.559 59.956 56.400 -0.005 0.000 0.806 235 E CB -0.763 28.936 29.700 -0.002 0.000 0.750 235 E HN 0.470 8.803 8.360 -0.012 0.020 0.458 236 Q N -0.678 119.116 119.800 -0.010 0.000 2.119 236 Q HA -0.284 4.199 4.340 -0.009 -0.148 0.201 236 Q C 2.443 178.437 176.000 -0.011 0.000 0.972 236 Q CA 2.787 58.583 55.803 -0.011 0.000 0.847 236 Q CB 0.160 28.888 28.738 -0.016 0.000 0.903 236 Q HN -0.582 7.681 8.270 -0.012 0.000 0.433 237 I N -1.005 119.555 120.570 -0.017 0.000 2.179 237 I HA -0.385 3.775 4.170 -0.016 0.000 0.242 237 I C 1.840 177.952 176.117 -0.008 0.000 1.088 237 I CA 1.456 62.746 61.300 -0.017 0.000 1.357 237 I CB -1.268 36.714 38.000 -0.029 0.000 1.051 237 I HN -0.730 7.468 8.210 -0.020 0.000 0.409 238 A N -0.326 122.490 122.820 -0.007 0.000 1.933 238 A HA -0.392 3.923 4.320 -0.009 0.000 0.218 238 A C 1.852 179.443 177.584 0.012 0.000 1.175 238 A CA 3.408 55.443 52.037 -0.003 0.000 0.628 238 A CB -0.881 18.117 19.000 -0.003 0.000 0.814 238 A HN -0.027 8.117 8.150 -0.010 0.000 0.444 239 D N -1.265 119.145 120.400 0.017 0.000 2.133 239 D HA -0.413 4.252 4.640 0.040 0.000 0.195 239 D C 2.087 178.426 176.300 0.066 0.000 0.997 239 D CA 3.666 57.686 54.000 0.034 0.000 0.840 239 D CB -0.581 40.229 40.800 0.016 0.000 0.947 239 D HN -0.145 8.214 8.370 0.009 0.016 0.452 240 A N -0.885 121.968 122.820 0.055 0.000 1.930 240 A HA -0.158 4.250 4.320 0.147 0.000 0.217 240 A C 2.149 179.806 177.584 0.121 0.000 1.175 240 A CA 2.833 54.932 52.037 0.103 0.000 0.627 240 A CB -0.598 18.436 19.000 0.057 0.000 0.815 240 A HN -0.668 7.501 8.150 0.031 0.000 0.443 241 V N 0.023 119.967 119.914 0.049 0.000 2.295 241 V HA -0.440 3.680 4.120 0.001 0.000 0.246 241 V C 2.075 178.173 176.094 0.006 0.000 1.049 241 V CA 3.839 66.143 62.300 0.007 0.000 1.024 241 V CB -0.814 30.991 31.823 -0.031 0.000 0.648 241 V HN -0.767 7.442 8.190 0.033 0.000 0.447 242 I N -0.596 119.993 120.570 0.032 0.000 2.208 242 I HA -0.477 3.692 4.170 -0.001 0.000 0.245 242 I C 2.249 178.417 176.117 0.084 0.000 1.097 242 I CA 1.905 63.231 61.300 0.043 0.000 1.363 242 I CB -1.503 36.534 38.000 0.062 0.000 1.051 242 I HN -0.143 8.089 8.210 0.036 0.000 0.413 243 F N 1.179 121.128 119.950 -0.001 0.000 2.095 243 F HA -0.356 4.180 4.527 0.015 0.000 0.298 243 F C 2.398 178.203 175.800 0.009 0.000 1.104 243 F CA 3.350 61.355 58.000 0.007 0.000 1.232 243 F CB -0.024 38.978 39.000 0.004 0.000 0.987 243 F HN -0.660 7.795 8.300 0.257 0.000 0.475 244 L N -3.897 117.213 121.223 -0.188 0.000 2.201 244 L HA -0.241 3.769 4.340 -0.549 0.000 0.212 244 L C 1.044 177.776 176.870 -0.230 0.000 1.105 244 L CA 2.044 56.701 54.840 -0.304 0.000 0.775 244 L CB 0.132 42.134 42.059 -0.095 0.000 0.913 244 L HN -0.573 7.680 8.230 0.039 0.000 0.440 245 V N -10.207 109.624 119.914 -0.139 0.000 3.306 245 V HA 0.053 4.126 4.120 -0.078 0.000 0.264 245 V C -0.036 176.036 176.094 -0.037 0.000 1.149 245 V CA 0.081 62.334 62.300 -0.078 0.000 1.143 245 V CB 0.001 31.773 31.823 -0.084 0.000 0.767 245 V HN -0.631 7.471 8.190 -0.111 0.022 0.476 246 S N 0.273 115.921 115.700 -0.088 0.000 2.624 246 S HA 0.041 4.526 4.470 0.025 0.000 0.263 246 S C 1.634 176.187 174.600 -0.078 0.000 1.287 246 S CA -0.308 57.868 58.200 -0.041 0.000 0.990 246 S CB 1.520 64.706 63.200 -0.022 0.000 0.950 246 S HN -0.699 7.349 8.310 -0.154 0.169 0.561 247 G N -0.681 108.103 108.800 -0.026 0.000 2.559 247 G HA2 -0.097 3.862 3.960 -0.002 0.000 0.216 247 G HA3 -0.097 3.851 3.960 -0.020 0.000 0.216 247 G C 1.157 176.042 174.900 -0.025 0.000 1.126 247 G CA 1.684 46.772 45.100 -0.019 0.000 0.778 247 G HN 0.359 8.648 8.290 -0.002 0.000 0.543 248 S N 1.519 117.197 115.700 -0.036 0.000 2.607 248 S HA 0.025 4.527 4.470 0.053 0.000 0.224 248 S C -0.092 174.449 174.600 -0.098 0.000 0.969 248 S CA 1.388 59.598 58.200 0.017 0.000 0.927 248 S CB -0.674 62.633 63.200 0.179 0.000 0.772 248 S HN -0.462 7.769 8.310 -0.040 0.055 0.533 249 A N 0.085 122.729 122.820 -0.294 0.000 2.606 249 A HA 0.384 4.538 4.320 -0.277 0.000 0.290 249 A C 0.493 178.000 177.584 -0.129 0.000 1.174 249 A CA -0.259 51.558 52.037 -0.366 0.000 0.958 249 A CB 0.233 18.784 19.000 -0.749 0.000 1.194 249 A HN -0.475 7.444 8.150 -0.249 0.081 0.526 250 Q N -0.935 118.844 119.800 -0.036 0.000 2.364 250 Q HA -0.282 4.052 4.340 -0.010 0.000 0.207 250 Q C -0.078 175.974 176.000 0.086 0.000 0.970 250 Q CA 2.586 58.400 55.803 0.018 0.000 0.888 250 Q CB -0.043 28.720 28.738 0.040 0.000 0.951 250 Q HN -0.537 7.716 8.270 -0.029 0.000 0.469 251 Y N -3.527 116.757 120.300 -0.027 0.000 2.458 251 Y HA 0.026 4.571 4.550 -0.009 0.000 0.256 251 Y C -1.045 174.849 175.900 -0.009 0.000 1.159 251 Y CA -0.493 57.601 58.100 -0.010 0.000 1.261 251 Y CB 0.679 39.141 38.460 0.003 0.000 1.119 251 Y HN -0.559 7.794 8.280 0.188 0.039 0.524 252 I N 1.198 121.777 120.570 0.015 0.000 2.312 252 I HA 0.016 4.185 4.170 -0.002 0.000 0.291 252 I C -1.341 174.733 176.117 -0.072 0.000 1.031 252 I CA 0.122 61.411 61.300 -0.019 0.000 1.293 252 I CB 0.104 38.102 38.000 -0.003 0.000 1.403 252 I HN -0.555 7.489 8.210 0.018 0.177 0.484 253 T N 6.949 121.451 114.554 -0.087 0.000 2.956 253 T HA 0.080 4.545 4.350 -0.061 -0.152 0.312 253 T C 0.132 174.799 174.700 -0.055 0.000 1.151 253 T CA -0.839 61.216 62.100 -0.075 0.000 1.024 253 T CB 2.063 70.876 68.868 -0.093 0.000 1.140 253 T HN -0.276 7.906 8.240 -0.095 0.000 0.473 254 G N 6.579 115.356 108.800 -0.038 0.000 2.148 254 G HA2 -0.479 3.466 3.960 -0.026 0.000 0.254 254 G HA3 -0.479 3.506 3.960 -0.021 -0.038 0.254 254 G C -1.166 173.726 174.900 -0.013 0.000 0.981 254 G CA 0.508 45.594 45.100 -0.024 0.000 0.670 254 G HN 0.473 8.764 8.290 -0.038 -0.024 0.528 255 S N 0.922 116.618 115.700 -0.007 0.000 2.508 255 S HA 0.285 4.761 4.470 0.010 0.000 0.284 255 S C -1.031 173.574 174.600 0.008 0.000 1.192 255 S CA 0.006 58.212 58.200 0.010 0.000 1.070 255 S CB 1.541 64.761 63.200 0.034 0.000 1.004 255 S HN -0.400 8.139 8.310 -0.013 -0.237 0.493 256 I N 4.211 124.785 120.570 0.007 0.000 2.382 256 I HA 0.313 4.682 4.170 -0.001 -0.199 0.285 256 I C -0.387 175.737 176.117 0.011 0.000 1.007 256 I CA -0.870 60.430 61.300 0.000 0.000 1.142 256 I CB 1.334 39.323 38.000 -0.019 0.000 1.289 256 I HN 0.411 8.626 8.210 0.009 0.000 0.453 257 I N 9.191 129.775 120.570 0.022 0.000 2.312 257 I HA 0.095 4.280 4.170 0.026 0.000 0.291 257 I C -0.758 175.362 176.117 0.006 0.000 1.031 257 I CA -0.805 60.511 61.300 0.027 0.000 1.293 257 I CB 0.427 38.462 38.000 0.059 0.000 1.403 257 I HN 0.552 8.776 8.210 0.023 0.000 0.484 258 K N 8.311 128.710 120.400 -0.002 0.000 2.401 258 K HA -0.032 4.449 4.320 -0.016 -0.170 0.278 258 K C -0.425 176.167 176.600 -0.013 0.000 1.018 258 K CA 0.639 56.920 56.287 -0.011 0.000 0.981 258 K CB 0.524 33.018 32.500 -0.010 0.000 0.933 258 K HN 0.461 8.711 8.250 0.000 0.000 0.477 259 V N 7.034 126.937 119.914 -0.018 0.000 2.313 259 V HA 0.182 4.290 4.120 -0.021 0.000 0.262 259 V C -1.270 174.810 176.094 -0.024 0.000 1.011 259 V CA -1.325 60.962 62.300 -0.021 0.000 0.858 259 V CB -0.878 30.933 31.823 -0.020 0.000 1.104 259 V HN 0.313 8.490 8.190 -0.021 0.000 0.456 260 D N 2.430 122.819 120.400 -0.017 0.000 2.539 260 D HA 0.067 4.695 4.640 -0.019 0.000 0.232 260 D C 0.825 177.123 176.300 -0.003 0.000 1.256 260 D CA -0.756 53.236 54.000 -0.013 0.000 0.810 260 D CB 1.005 41.800 40.800 -0.009 0.000 1.090 260 D HN 0.116 8.477 8.370 -0.015 0.000 0.519 261 G N -0.149 108.647 108.800 -0.006 0.000 2.187 261 G HA2 -0.403 3.558 3.960 0.000 0.000 0.261 261 G HA3 -0.403 3.553 3.960 -0.006 0.000 0.261 261 G C 0.217 175.118 174.900 0.001 0.000 1.000 261 G CA 0.449 45.548 45.100 -0.003 0.000 0.718 261 G HN 0.189 8.473 8.290 -0.011 0.000 0.519 262 G N -3.201 105.600 108.800 0.002 0.000 2.176 262 G HA2 -0.463 3.497 3.960 0.001 0.000 0.253 262 G HA3 -0.463 3.499 3.960 0.003 0.000 0.253 262 G C 1.013 175.920 174.900 0.011 0.000 0.979 262 G CA 0.395 45.498 45.100 0.004 0.000 0.641 262 G HN -0.175 8.314 8.290 -0.000 -0.199 0.530 263 L N 1.415 122.652 121.223 0.022 0.000 2.043 263 L HA -0.284 4.080 4.340 0.040 0.000 0.212 263 L C 1.231 178.128 176.870 0.045 0.000 1.075 263 L CA 2.989 57.855 54.840 0.043 0.000 0.752 263 L CB -0.063 42.038 42.059 0.071 0.000 0.891 263 L HN -0.283 7.908 8.230 0.020 0.051 0.432 264 S N -3.009 112.713 115.700 0.037 0.000 2.507 264 S HA -0.162 4.340 4.470 0.053 0.000 0.235 264 S C 1.157 175.779 174.600 0.036 0.000 0.988 264 S CA 2.014 60.238 58.200 0.040 0.000 0.944 264 S CB -0.274 62.942 63.200 0.027 0.000 0.762 264 S HN -0.407 8.191 8.310 0.028 -0.270 0.526 265 L N -1.019 120.219 121.223 0.026 0.000 2.567 265 L HA 0.125 4.485 4.340 0.034 0.000 0.225 265 L C 0.035 176.915 176.870 0.018 0.000 1.119 265 L CA -0.265 54.590 54.840 0.025 0.000 0.871 265 L CB 0.376 42.444 42.059 0.016 0.000 1.036 265 L HN -0.573 7.497 8.230 0.021 0.172 0.459 266 V N 0.807 120.720 119.914 -0.002 0.000 2.408 266 V HA -0.126 3.925 4.120 -0.115 0.000 0.267 266 V C -0.093 175.979 176.094 -0.037 0.000 1.047 266 V CA -0.490 61.768 62.300 -0.069 0.000 0.937 266 V CB -0.536 31.239 31.823 -0.081 0.000 0.999 266 V HN -0.792 7.339 8.190 0.011 0.066 0.472 267 H N 7.020 126.098 119.070 0.014 0.000 2.745 267 H HA -0.088 4.479 4.556 0.018 0.000 0.373 267 H C -0.128 175.203 175.328 0.005 0.000 1.226 267 H CA -0.808 55.247 56.048 0.012 0.000 1.435 267 H CB -0.102 29.665 29.762 0.009 0.000 1.461 267 H HN -0.008 8.182 8.280 -0.150 0.000 0.616 268 A N 0.000 122.958 122.820 0.230 0.000 2.254 268 A HA 0.000 4.364 4.320 0.073 0.000 0.244 268 A CA 0.000 52.124 52.037 0.144 0.000 0.836 268 A CB 0.000 19.060 19.000 0.099 0.000 0.831 268 A HN 0.000 8.284 8.150 0.223 0.000 0.486