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 3fch_1_B DATA FIRST_RESID 54 DATA SEQUENCE IELRTYVFLD SLQPQLAAYM GTVSRGFLPI PGDSCLWMEV SPGMAVHRVT DATA SEQUENCE DIALKASNVR LGQMIVERAF GSLALYHKDQ STVLHSGDVV LDAIGSEVRK DATA SEQUENCE RTKPSTSWTE VICAITPDHA VLINRQNRSG SMIQSGMSMF ILETEPAGYV DATA SEQUENCE LKAANEAEKS ANITIIDVKA VGAFGRLTLA GKEGDVEEAA AAAIRAIDQI DATA SEQUENCE SNY 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 54 I HA 0.000 4.178 4.170 0.014 0.000 0.288 54 I C 0.000 176.121 176.117 0.006 0.000 1.063 54 I CA 0.000 61.305 61.300 0.008 0.000 1.566 54 I CB 0.000 38.002 38.000 0.004 0.000 1.214 55 E N 5.189 125.397 120.200 0.013 0.000 2.283 55 E HA 0.272 4.624 4.350 0.002 0.000 0.267 55 E C -1.337 175.269 176.600 0.011 0.000 1.045 55 E CA -1.747 54.660 56.400 0.010 0.000 0.884 55 E CB 1.767 31.476 29.700 0.015 0.000 1.106 55 E HN -0.135 8.238 8.360 0.020 0.000 0.408 56 L N 1.251 122.477 121.223 0.005 0.000 2.255 56 L HA 0.247 4.597 4.340 0.016 0.000 0.289 56 L C 0.018 176.897 176.870 0.016 0.000 1.046 56 L CA -0.380 54.467 54.840 0.012 0.000 0.816 56 L CB 0.487 42.549 42.059 0.006 0.000 1.197 56 L HN 0.428 8.657 8.230 -0.002 0.000 0.427 57 R N 6.918 127.422 120.500 0.007 0.000 2.206 57 R HA 0.284 4.621 4.340 -0.005 0.000 0.198 57 R C 0.184 176.493 176.300 0.015 0.000 0.986 57 R CA -0.285 55.805 56.100 -0.016 0.000 1.029 57 R CB 2.008 32.255 30.300 -0.088 0.000 0.966 57 R HN 0.342 8.613 8.270 0.001 0.000 0.487 58 T N -0.604 113.959 114.554 0.015 0.000 2.923 58 T HA 0.239 4.637 4.350 0.081 0.000 0.311 58 T C -2.065 172.678 174.700 0.071 0.000 1.183 58 T CA -0.652 61.443 62.100 -0.008 0.000 1.020 58 T CB 2.764 71.547 68.868 -0.140 0.000 1.165 58 T HN -0.630 7.614 8.240 0.007 0.000 0.482 59 Y N 5.465 125.710 120.300 -0.093 0.000 2.299 59 Y HA 0.303 5.032 4.550 -0.002 -0.181 0.318 59 Y C -2.816 173.119 175.900 0.059 0.000 1.205 59 Y CA -0.053 58.046 58.100 -0.001 0.000 1.106 59 Y CB 3.298 41.770 38.460 0.018 0.000 1.246 59 Y HN -0.300 7.979 8.280 -0.002 0.000 0.415 60 V N 6.951 126.795 119.914 -0.116 0.000 2.577 60 V HA 0.202 4.463 4.120 0.234 0.000 0.294 60 V C -2.166 173.949 176.094 0.036 0.000 1.052 60 V CA -1.006 61.329 62.300 0.058 0.000 0.891 60 V CB 3.276 35.090 31.823 -0.015 0.000 1.017 60 V HN 0.172 8.192 8.190 -0.283 0.000 0.436 61 F N 8.454 128.401 119.950 -0.006 0.000 2.420 61 F HA 0.622 5.296 4.527 -0.041 -0.171 0.342 61 F C -1.085 174.757 175.800 0.071 0.000 1.113 61 F CA -1.931 56.074 58.000 0.009 0.000 1.059 61 F CB 1.967 41.005 39.000 0.064 0.000 1.128 61 F HN 0.168 8.681 8.300 0.354 0.000 0.475 62 L N 8.833 129.646 121.223 -0.683 0.000 2.276 62 L HA 0.306 4.487 4.340 -0.265 0.000 0.286 62 L C 0.284 176.704 176.870 -0.750 0.000 1.024 62 L CA -1.345 53.205 54.840 -0.484 0.000 0.826 62 L CB 0.945 42.862 42.059 -0.237 0.000 1.211 62 L HN 0.065 7.826 8.230 -0.782 0.000 0.422 63 D N 3.160 123.326 120.400 -0.390 0.000 2.126 63 D HA -0.393 4.186 4.640 -0.101 0.000 0.190 63 D C 0.061 176.288 176.300 -0.122 0.000 1.001 63 D CA 2.657 56.563 54.000 -0.156 0.000 0.841 63 D CB 0.298 41.128 40.800 0.050 0.000 0.949 63 D HN 0.463 8.714 8.370 -0.198 0.000 0.446 64 S N -2.419 113.223 115.700 -0.096 0.000 2.653 64 S HA 0.089 4.673 4.470 -0.044 -0.141 0.268 64 S C -1.253 173.319 174.600 -0.047 0.000 1.153 64 S CA -1.304 56.868 58.200 -0.047 0.000 1.036 64 S CB 1.231 64.426 63.200 -0.008 0.000 1.103 64 S HN -0.752 7.499 8.310 -0.098 0.000 0.466 65 L N 7.614 128.811 121.223 -0.044 0.000 2.597 65 L HA -0.140 4.180 4.340 -0.035 0.000 0.271 65 L C 0.027 176.880 176.870 -0.028 0.000 1.157 65 L CA 0.879 55.699 54.840 -0.035 0.000 0.928 65 L CB -0.453 41.584 42.059 -0.036 0.000 1.216 65 L HN 0.242 8.448 8.230 -0.040 0.000 0.481 66 Q N 5.167 124.952 119.800 -0.023 0.000 2.540 66 Q HA -0.030 4.300 4.340 -0.017 0.000 0.256 66 Q C -0.660 175.330 176.000 -0.017 0.000 1.084 66 Q CA -0.605 55.187 55.803 -0.019 0.000 0.956 66 Q CB -0.815 27.913 28.738 -0.017 0.000 1.303 66 Q HN -0.376 8.091 8.270 -0.024 -0.212 0.509 67 P HA -0.284 4.124 4.420 -0.019 0.000 0.213 67 P C 1.284 178.580 177.300 -0.007 0.000 1.176 67 P CA 3.490 66.581 63.100 -0.014 0.000 0.919 67 P CB 0.168 31.861 31.700 -0.012 0.000 0.791 68 Q N -4.054 115.746 119.800 0.000 0.000 2.224 68 Q HA -0.315 4.038 4.340 0.022 0.000 0.203 68 Q C 2.374 178.396 176.000 0.037 0.000 0.970 68 Q CA 2.698 58.511 55.803 0.017 0.000 0.865 68 Q CB -0.252 28.492 28.738 0.009 0.000 0.922 68 Q HN -0.597 8.067 8.270 -0.004 -0.396 0.445 69 L N 0.219 121.452 121.223 0.016 0.000 2.005 69 L HA -0.293 4.064 4.340 0.029 0.000 0.207 69 L C 1.112 178.016 176.870 0.058 0.000 1.072 69 L CA 2.907 57.764 54.840 0.028 0.000 0.744 69 L CB -0.535 41.522 42.059 -0.004 0.000 0.895 69 L HN -0.683 7.629 8.230 0.001 -0.081 0.433 70 A N -1.953 120.868 122.820 0.002 0.000 1.933 70 A HA -0.348 3.929 4.320 -0.071 0.000 0.218 70 A C 1.979 179.537 177.584 -0.043 0.000 1.175 70 A CA 3.004 55.011 52.037 -0.051 0.000 0.628 70 A CB -0.923 18.026 19.000 -0.085 0.000 0.814 70 A HN -0.155 7.989 8.150 -0.010 0.000 0.444 71 A N -2.194 120.622 122.820 -0.006 0.000 1.972 71 A HA -0.339 3.956 4.320 -0.042 0.000 0.219 71 A C 1.347 178.944 177.584 0.021 0.000 1.169 71 A CA 2.668 54.701 52.037 -0.007 0.000 0.635 71 A CB -0.557 18.448 19.000 0.008 0.000 0.810 71 A HN -0.484 7.668 8.150 0.004 0.000 0.446 72 Y N -0.191 120.084 120.300 -0.041 0.000 2.184 72 Y HA -0.302 4.235 4.550 -0.021 0.000 0.290 72 Y C 1.500 177.388 175.900 -0.018 0.000 1.129 72 Y CA 3.345 61.431 58.100 -0.025 0.000 1.144 72 Y CB 0.489 38.938 38.460 -0.018 0.000 0.995 72 Y HN -0.777 7.514 8.280 0.198 0.107 0.513 73 M N -2.814 116.828 119.600 0.070 0.000 2.557 73 M HA -0.304 4.147 4.480 -0.050 0.000 0.259 73 M C 1.989 178.238 176.300 -0.085 0.000 1.086 73 M CA 2.820 58.126 55.300 0.009 0.000 1.096 73 M CB 0.044 32.733 32.600 0.147 0.000 1.424 73 M HN -0.385 8.013 8.290 0.179 0.000 0.488 74 G N -2.061 106.663 108.800 -0.126 0.000 2.464 74 G HA2 -0.133 3.733 3.960 -0.158 0.000 0.217 74 G HA3 -0.133 3.742 3.960 -0.143 0.000 0.217 74 G C -0.156 174.664 174.900 -0.134 0.000 1.138 74 G CA 1.576 46.590 45.100 -0.143 0.000 0.793 74 G HN -0.067 8.009 8.290 -0.105 0.150 0.539 75 T N 1.833 116.281 114.554 -0.177 0.000 2.814 75 T HA -0.190 4.081 4.350 -0.132 0.000 0.254 75 T C 1.198 175.792 174.700 -0.177 0.000 1.037 75 T CA 4.015 66.006 62.100 -0.181 0.000 1.143 75 T CB 0.632 69.361 68.868 -0.232 0.000 0.866 75 T HN -0.723 7.251 8.240 -0.214 0.137 0.431 76 V N -4.114 115.648 119.914 -0.254 0.000 2.453 76 V HA -0.078 3.954 4.120 -0.146 0.000 0.247 76 V C 0.338 176.408 176.094 -0.040 0.000 1.048 76 V CA 1.491 63.690 62.300 -0.168 0.000 1.049 76 V CB 0.288 31.977 31.823 -0.224 0.000 0.672 76 V HN -0.859 7.116 8.190 -0.359 0.000 0.457 77 S N 1.655 117.357 115.700 0.003 0.000 2.575 77 S HA -0.237 4.449 4.470 0.119 -0.144 0.295 77 S C 0.098 174.729 174.600 0.051 0.000 1.267 77 S CA 1.189 59.441 58.200 0.085 0.000 1.074 77 S CB 0.393 63.690 63.200 0.163 0.000 0.829 77 S HN -0.703 7.595 8.310 -0.020 0.000 0.497 78 R N 4.502 125.039 120.500 0.062 0.000 2.426 78 R HA 0.085 4.442 4.340 0.028 0.000 0.263 78 R C -0.309 176.025 176.300 0.058 0.000 0.961 78 R CA -1.006 55.120 56.100 0.043 0.000 1.086 78 R CB -0.395 29.927 30.300 0.036 0.000 1.186 78 R HN 0.008 8.498 8.270 0.075 -0.175 0.537 79 G N -1.928 106.927 108.800 0.092 0.000 3.214 79 G HA2 0.318 4.340 3.960 0.104 0.000 0.188 79 G HA3 0.318 4.361 3.960 0.138 0.000 0.188 79 G C -2.073 172.933 174.900 0.176 0.000 1.126 79 G CA -0.850 44.326 45.100 0.127 0.000 0.796 79 G HN -0.811 7.468 8.290 0.109 0.076 0.631 80 F N 1.721 121.730 119.950 0.099 0.000 2.602 80 F HA -0.183 4.395 4.527 0.085 0.000 0.367 80 F C -0.555 175.350 175.800 0.175 0.000 1.126 80 F CA 1.428 59.503 58.000 0.126 0.000 1.321 80 F CB 0.991 40.080 39.000 0.148 0.000 1.094 80 F HN -0.241 8.288 8.300 0.382 0.000 0.594 81 L N 6.070 126.996 121.223 -0.494 0.000 2.343 81 L HA 0.287 4.528 4.340 -0.166 0.000 0.275 81 L C -1.400 175.208 176.870 -0.436 0.000 1.056 81 L CA -2.748 51.881 54.840 -0.350 0.000 0.804 81 L CB 0.164 42.010 42.059 -0.355 0.000 1.203 81 L HN 0.096 7.693 8.230 -1.055 0.000 0.440 82 P HA 0.140 4.125 4.420 -0.726 0.000 0.277 82 P C -1.462 175.637 177.300 -0.334 0.000 1.271 82 P CA -0.969 61.718 63.100 -0.688 0.000 0.795 82 P CB 0.951 32.091 31.700 -0.932 0.000 1.101 83 I N -2.782 117.650 120.570 -0.231 0.000 2.827 83 I HA 0.309 4.397 4.170 -0.137 0.000 0.298 83 I C -2.369 173.692 176.117 -0.094 0.000 1.235 83 I CA -3.922 57.297 61.300 -0.135 0.000 1.021 83 I CB 3.740 41.685 38.000 -0.092 0.000 1.259 83 I HN -0.518 7.636 8.210 -0.229 -0.082 0.427 84 P HA -0.098 4.440 4.420 -0.046 -0.146 0.260 84 P C -0.191 177.089 177.300 -0.032 0.000 1.185 84 P CA 0.747 63.819 63.100 -0.046 0.000 0.763 84 P CB -0.376 31.303 31.700 -0.036 0.000 0.776 85 G N 5.457 114.243 108.800 -0.024 0.000 2.339 85 G HA2 -0.363 3.595 3.960 -0.004 0.000 0.209 85 G HA3 -0.363 3.593 3.960 -0.006 0.000 0.209 85 G C -0.330 174.573 174.900 0.004 0.000 1.015 85 G CA -0.294 44.801 45.100 -0.008 0.000 0.635 85 G HN 0.055 8.329 8.290 -0.027 0.000 0.499 86 D N 4.412 124.812 120.400 -0.000 0.000 2.449 86 D HA -0.144 4.528 4.640 0.052 0.000 0.236 86 D C -0.537 175.795 176.300 0.053 0.000 1.149 86 D CA 1.141 55.165 54.000 0.040 0.000 0.878 86 D CB 0.288 41.113 40.800 0.042 0.000 1.198 86 D HN -0.387 7.908 8.370 -0.019 0.064 0.446 87 S N 1.584 117.347 115.700 0.105 0.000 2.610 87 S HA 0.423 4.965 4.470 -0.122 -0.146 0.273 87 S C -0.680 173.983 174.600 0.104 0.000 1.274 87 S CA 0.296 58.510 58.200 0.022 0.000 1.023 87 S CB 1.300 64.605 63.200 0.175 0.000 0.962 87 S HN -0.049 8.353 8.310 0.154 0.000 0.523 88 C N 1.980 121.235 119.300 -0.075 0.000 2.712 88 C HA 0.992 5.830 4.460 0.203 -0.257 0.308 88 C C -2.261 172.735 174.990 0.011 0.000 1.201 88 C CA -2.364 56.706 59.018 0.087 0.000 1.554 88 C CB 3.826 31.682 27.740 0.193 0.000 2.117 88 C HN -0.145 7.869 8.230 -0.360 0.000 0.480 89 L N 6.402 127.659 121.223 0.058 0.000 2.406 89 L HA 0.613 5.125 4.340 0.058 -0.137 0.270 89 L C -2.513 174.342 176.870 -0.025 0.000 0.982 89 L CA -0.786 54.074 54.840 0.034 0.000 0.843 89 L CB 3.176 45.256 42.059 0.035 0.000 1.225 89 L HN -0.089 8.146 8.230 0.008 0.000 0.412 90 W N 9.216 130.386 121.300 -0.218 0.000 2.469 90 W HA 0.720 5.479 4.660 -0.180 -0.207 0.320 90 W C -2.230 174.130 176.519 -0.265 0.000 1.086 90 W CA -2.104 55.114 57.345 -0.212 0.000 1.211 90 W CB 3.547 32.897 29.460 -0.183 0.000 1.298 90 W HN 0.188 8.419 8.180 0.086 0.000 0.525 91 M N 5.922 125.139 119.600 -0.639 0.000 2.284 91 M HA 0.357 4.884 4.480 -0.215 -0.176 0.281 91 M C -2.064 173.967 176.300 -0.447 0.000 1.083 91 M CA -0.333 54.738 55.300 -0.382 0.000 0.965 91 M CB 4.390 36.849 32.600 -0.236 0.000 1.717 91 M HN -0.133 7.533 8.290 -1.039 0.000 0.479 92 E N 3.131 123.194 120.200 -0.227 0.000 2.202 92 E HA 0.894 5.379 4.350 -0.164 -0.233 0.272 92 E C -0.409 176.158 176.600 -0.055 0.000 0.951 92 E CA -1.893 54.424 56.400 -0.138 0.000 0.813 92 E CB 2.994 32.626 29.700 -0.113 0.000 1.151 92 E HN -0.177 8.099 8.360 -0.139 0.000 0.398 93 V N -4.250 115.670 119.914 0.010 0.000 3.112 93 V HA 0.889 5.140 4.120 0.025 -0.115 0.310 93 V C -2.122 174.032 176.094 0.100 0.000 1.364 93 V CA -3.056 59.264 62.300 0.034 0.000 1.058 93 V CB 3.910 35.736 31.823 0.005 0.000 1.079 93 V HN -0.123 8.093 8.190 0.044 0.000 0.463 94 S N -3.619 112.125 115.700 0.074 0.000 2.543 94 S HA 0.523 5.052 4.470 0.098 0.000 0.271 94 S C -2.556 172.072 174.600 0.047 0.000 1.148 94 S CA -2.558 55.694 58.200 0.085 0.000 0.914 94 S CB 1.327 64.592 63.200 0.109 0.000 1.096 94 S HN -0.335 8.005 8.310 0.050 0.000 0.471 95 P HA 0.045 4.491 4.420 0.043 0.000 0.272 95 P C 0.829 178.153 177.300 0.041 0.000 1.240 95 P CA -0.214 62.907 63.100 0.036 0.000 0.791 95 P CB 0.652 32.362 31.700 0.018 0.000 0.978 96 G N -0.752 108.065 108.800 0.028 0.000 2.448 96 G HA2 -0.223 3.811 3.960 0.051 0.000 0.218 96 G HA3 -0.223 3.899 3.960 -0.004 -0.164 0.218 96 G C 0.948 175.871 174.900 0.038 0.000 1.135 96 G CA 1.715 46.831 45.100 0.027 0.000 0.784 96 G HN -0.003 8.292 8.290 0.008 0.000 0.543 97 M N 1.062 120.684 119.600 0.037 0.000 2.374 97 M HA -0.191 4.355 4.480 0.111 0.000 0.264 97 M C 0.895 177.246 176.300 0.085 0.000 1.067 97 M CA 0.993 56.332 55.300 0.065 0.000 1.103 97 M CB -0.428 32.178 32.600 0.011 0.000 1.402 97 M HN -0.080 8.200 8.290 0.019 0.021 0.444 98 A N -1.429 121.420 122.820 0.049 0.000 2.209 98 A HA -0.109 4.236 4.320 0.041 0.000 0.212 98 A C 1.242 178.848 177.584 0.036 0.000 1.158 98 A CA 1.929 53.989 52.037 0.039 0.000 0.742 98 A CB -1.214 17.798 19.000 0.021 0.000 0.790 98 A HN -0.493 7.645 8.150 0.038 0.035 0.472 99 V N -1.858 118.076 119.914 0.033 0.000 2.970 99 V HA -0.506 3.583 4.120 -0.052 0.000 0.260 99 V C 0.538 176.593 176.094 -0.066 0.000 1.100 99 V CA 1.882 64.159 62.300 -0.038 0.000 1.122 99 V CB -0.039 31.735 31.823 -0.083 0.000 0.721 99 V HN -0.636 7.516 8.190 0.050 0.067 0.483 100 H N -0.455 118.590 119.070 -0.042 0.000 2.363 100 H HA -0.187 4.345 4.556 -0.040 0.000 0.301 100 H C 2.214 177.522 175.328 -0.035 0.000 1.074 100 H CA 4.295 60.321 56.048 -0.037 0.000 1.354 100 H CB 0.079 29.824 29.762 -0.028 0.000 1.397 100 H HN -0.773 7.606 8.280 0.218 0.032 0.516 101 R N -0.383 120.173 120.500 0.095 0.000 2.096 101 R HA -0.248 4.114 4.340 0.038 0.000 0.235 101 R C 2.063 178.364 176.300 0.001 0.000 1.127 101 R CA 3.130 59.251 56.100 0.036 0.000 0.968 101 R CB -0.406 29.909 30.300 0.024 0.000 0.861 101 R HN -0.038 8.297 8.270 0.109 0.000 0.440 102 V N -1.210 118.694 119.914 -0.016 0.000 2.548 102 V HA -0.390 3.708 4.120 -0.036 0.000 0.249 102 V C 1.527 177.583 176.094 -0.064 0.000 1.055 102 V CA 3.594 65.868 62.300 -0.043 0.000 1.065 102 V CB -0.147 31.642 31.823 -0.057 0.000 0.681 102 V HN -0.453 7.631 8.190 -0.010 0.099 0.462 103 T N 2.540 117.046 114.554 -0.080 0.000 2.821 103 T HA -0.403 3.880 4.350 -0.112 0.000 0.267 103 T C 1.530 176.193 174.700 -0.062 0.000 1.046 103 T CA 5.303 67.344 62.100 -0.098 0.000 1.139 103 T CB -0.339 68.443 68.868 -0.142 0.000 0.871 103 T HN -0.384 7.718 8.240 -0.079 0.090 0.454 104 D N 1.632 122.011 120.400 -0.035 0.000 2.097 104 D HA -0.210 4.418 4.640 -0.020 0.000 0.195 104 D C 2.082 178.367 176.300 -0.024 0.000 0.989 104 D CA 3.294 57.282 54.000 -0.019 0.000 0.827 104 D CB 0.036 40.836 40.800 -0.000 0.000 0.966 104 D HN -0.720 7.635 8.370 -0.025 0.000 0.456 105 I N -0.932 119.623 120.570 -0.025 0.000 2.179 105 I HA -0.555 3.603 4.170 -0.019 0.000 0.242 105 I C 1.669 177.768 176.117 -0.030 0.000 1.088 105 I CA 3.545 64.829 61.300 -0.026 0.000 1.357 105 I CB -0.068 37.915 38.000 -0.028 0.000 1.051 105 I HN -0.737 7.458 8.210 -0.026 0.000 0.409 106 A N -0.882 121.913 122.820 -0.042 0.000 1.902 106 A HA -0.307 3.989 4.320 -0.039 0.000 0.217 106 A C 1.879 179.440 177.584 -0.039 0.000 1.181 106 A CA 2.976 54.986 52.037 -0.045 0.000 0.623 106 A CB -0.301 18.660 19.000 -0.065 0.000 0.818 106 A HN -0.615 7.506 8.150 -0.048 0.000 0.443 107 L N -5.617 115.579 121.223 -0.045 0.000 2.291 107 L HA -0.248 4.059 4.340 -0.054 0.000 0.214 107 L C 1.148 177.998 176.870 -0.033 0.000 1.120 107 L CA 1.634 56.446 54.840 -0.046 0.000 0.799 107 L CB -0.210 41.819 42.059 -0.050 0.000 0.925 107 L HN -0.767 7.433 8.230 -0.048 0.000 0.446 108 K N -3.538 116.849 120.400 -0.022 0.000 2.305 108 K HA -0.140 4.172 4.320 -0.014 0.000 0.199 108 K C 1.487 178.088 176.600 0.002 0.000 1.047 108 K CA 0.950 57.230 56.287 -0.012 0.000 0.976 108 K CB 0.003 32.498 32.500 -0.009 0.000 0.765 108 K HN -0.611 7.489 8.250 -0.023 0.136 0.474 109 A N -1.321 121.508 122.820 0.014 0.000 1.930 109 A HA -0.069 4.298 4.320 0.077 0.000 0.215 109 A C -0.205 177.427 177.584 0.079 0.000 1.176 109 A CA 1.839 53.918 52.037 0.070 0.000 0.632 109 A CB 0.537 19.583 19.000 0.076 0.000 0.819 109 A HN -0.346 7.655 8.150 0.003 0.150 0.445 110 S N -4.352 111.356 115.700 0.012 0.000 2.930 110 S HA 0.052 4.481 4.470 -0.067 0.000 0.306 110 S C -1.446 173.100 174.600 -0.090 0.000 1.238 110 S CA -0.802 57.365 58.200 -0.055 0.000 1.000 110 S CB 0.475 63.628 63.200 -0.078 0.000 1.342 110 S HN -0.882 7.426 8.310 -0.003 0.000 0.575 111 N N 0.360 118.966 118.700 -0.157 0.000 2.370 111 N HA 0.154 4.842 4.740 -0.088 0.000 0.198 111 N C -0.213 175.217 175.510 -0.134 0.000 1.156 111 N CA -0.205 52.764 53.050 -0.136 0.000 0.839 111 N CB -0.499 37.924 38.487 -0.107 0.000 0.989 111 N HN 0.098 8.351 8.380 -0.211 0.000 0.468 112 V N -4.521 115.305 119.914 -0.146 0.000 2.999 112 V HA -0.233 3.880 4.120 -0.011 0.000 0.307 112 V C -0.261 175.781 176.094 -0.087 0.000 1.084 112 V CA 0.705 62.964 62.300 -0.069 0.000 1.155 112 V CB 0.436 32.229 31.823 -0.049 0.000 0.975 112 V HN -1.007 7.021 8.190 -0.144 0.076 0.490 113 R N 1.603 122.048 120.500 -0.092 0.000 2.787 113 R HA 0.340 4.545 4.340 -0.226 0.000 0.271 113 R C -1.860 174.390 176.300 -0.083 0.000 0.993 113 R CA -2.981 52.993 56.100 -0.210 0.000 0.993 113 R CB 2.396 32.293 30.300 -0.672 0.000 1.155 113 R HN -0.135 8.129 8.270 -0.010 0.000 0.486 114 L N 0.115 121.311 121.223 -0.045 0.000 2.282 114 L HA 0.548 4.953 4.340 -0.122 -0.139 0.288 114 L C -0.503 176.418 176.870 0.085 0.000 1.033 114 L CA -1.184 53.631 54.840 -0.042 0.000 0.807 114 L CB 2.583 44.610 42.059 -0.055 0.000 1.209 114 L HN 0.194 8.396 8.230 -0.046 0.000 0.423 115 G N 3.861 112.659 108.800 -0.003 0.000 2.727 115 G HA2 0.270 4.643 3.960 0.326 0.000 0.203 115 G HA3 0.270 4.446 3.960 0.359 0.000 0.203 115 G C -1.437 173.537 174.900 0.124 0.000 1.117 115 G CA 0.526 45.752 45.100 0.211 0.000 0.817 115 G HN 0.385 8.562 8.290 -0.189 0.000 0.553 116 Q N -2.164 117.644 119.800 0.013 0.000 2.433 116 Q HA 0.383 4.754 4.340 0.052 0.000 0.279 116 Q C -2.031 173.911 176.000 -0.095 0.000 1.105 116 Q CA -1.066 54.749 55.803 0.021 0.000 0.815 116 Q CB 4.406 33.224 28.738 0.133 0.000 1.403 116 Q HN -0.669 7.552 8.270 -0.082 0.000 0.435 117 M N 2.396 121.945 119.600 -0.086 0.000 2.400 117 M HA 0.156 4.665 4.480 -0.221 -0.162 0.192 117 M C -2.104 174.134 176.300 -0.104 0.000 0.977 117 M CA -0.052 55.155 55.300 -0.156 0.000 0.965 117 M CB 1.247 33.738 32.600 -0.182 0.000 2.816 117 M HN 0.329 8.598 8.290 -0.034 0.000 0.413 118 I N 5.609 126.124 120.570 -0.092 0.000 2.396 118 I HA 0.145 4.316 4.170 0.003 0.000 0.292 118 I C -1.283 174.815 176.117 -0.031 0.000 0.999 118 I CA -1.342 59.949 61.300 -0.016 0.000 1.310 118 I CB 1.688 39.728 38.000 0.066 0.000 1.404 118 I HN -0.073 8.051 8.210 -0.143 0.000 0.496 119 V N 5.991 125.903 119.914 -0.003 0.000 2.443 119 V HA 0.114 4.235 4.120 0.001 0.000 0.272 119 V C -1.033 175.056 176.094 -0.008 0.000 1.002 119 V CA -0.509 61.797 62.300 0.010 0.000 0.840 119 V CB 0.262 32.131 31.823 0.076 0.000 1.042 119 V HN 0.140 8.336 8.190 0.010 0.000 0.446 120 E N 7.855 128.018 120.200 -0.062 0.000 2.803 120 E HA 0.378 4.671 4.350 -0.094 0.000 0.250 120 E C -0.790 175.735 176.600 -0.125 0.000 1.102 120 E CA -1.777 54.543 56.400 -0.133 0.000 1.017 120 E CB 1.771 31.294 29.700 -0.295 0.000 1.346 120 E HN -0.231 8.090 8.360 -0.064 0.000 0.532 121 R N -0.606 119.798 120.500 -0.159 0.000 2.146 121 R HA -0.026 4.272 4.340 -0.070 0.000 0.206 121 R C 1.685 177.906 176.300 -0.131 0.000 1.049 121 R CA 2.417 58.452 56.100 -0.108 0.000 1.029 121 R CB -0.097 30.156 30.300 -0.079 0.000 0.949 121 R HN 0.547 8.704 8.270 -0.188 0.000 0.471 122 A N -0.904 121.753 122.820 -0.271 0.000 1.930 122 A HA -0.177 4.099 4.320 -0.073 0.000 0.217 122 A C -1.637 175.894 177.584 -0.088 0.000 1.175 122 A CA 2.272 54.161 52.037 -0.246 0.000 0.627 122 A CB 0.355 19.086 19.000 -0.449 0.000 0.815 122 A HN 0.487 8.422 8.150 -0.358 0.000 0.443 123 F N -11.349 108.609 119.950 0.014 0.000 2.769 123 F HA 0.553 5.229 4.527 -0.004 -0.152 0.313 123 F C -2.088 173.706 175.800 -0.010 0.000 1.146 123 F CA -2.292 55.709 58.000 0.001 0.000 0.934 123 F CB 1.894 40.897 39.000 0.005 0.000 1.283 123 F HN -1.020 6.897 8.300 -0.637 0.000 0.443 124 G N -1.635 107.287 108.800 0.204 0.000 2.590 124 G HA2 0.524 4.608 3.960 0.071 0.000 0.310 124 G HA3 0.524 4.634 3.960 0.018 -0.140 0.310 124 G C -1.713 173.172 174.900 -0.025 0.000 1.347 124 G CA -1.179 43.963 45.100 0.070 0.000 0.963 124 G HN -0.147 8.257 8.290 0.190 0.000 0.494 125 S N 4.278 119.910 115.700 -0.114 0.000 2.718 125 S HA 1.091 5.500 4.470 -0.514 -0.248 0.300 125 S C -0.748 173.498 174.600 -0.590 0.000 1.117 125 S CA -1.664 56.263 58.200 -0.455 0.000 1.002 125 S CB 2.796 65.722 63.200 -0.458 0.000 1.092 125 S HN -0.156 8.120 8.310 -0.056 0.000 0.542 126 L N -7.086 113.562 121.223 -0.957 0.000 2.789 126 L HA 0.363 4.485 4.340 -0.552 -0.113 0.258 126 L C -3.008 173.455 176.870 -0.679 0.000 0.966 126 L CA -0.153 54.289 54.840 -0.662 0.000 0.916 126 L CB 3.314 45.136 42.059 -0.395 0.000 1.475 126 L HN -0.400 7.020 8.230 -1.349 0.000 0.418 127 A N -1.570 121.016 122.820 -0.389 0.000 2.386 127 A HA 1.030 5.455 4.320 -0.231 -0.245 0.311 127 A C -1.827 175.484 177.584 -0.454 0.000 1.068 127 A CA -2.090 49.774 52.037 -0.290 0.000 0.743 127 A CB 3.529 22.496 19.000 -0.056 0.000 1.258 127 A HN -0.128 7.831 8.150 -0.318 0.000 0.429 128 L N 0.836 121.801 121.223 -0.430 0.000 2.362 128 L HA 0.943 5.255 4.340 -0.375 -0.197 0.271 128 L C -1.101 175.564 176.870 -0.342 0.000 1.002 128 L CA -1.573 53.053 54.840 -0.357 0.000 0.818 128 L CB 3.497 45.475 42.059 -0.134 0.000 1.298 128 L HN -0.247 7.799 8.230 -0.307 0.000 0.420 129 Y N -1.213 119.171 120.300 0.140 0.000 2.462 129 Y HA 0.973 5.829 4.550 0.160 -0.210 0.346 129 Y C -0.824 175.212 175.900 0.227 0.000 0.976 129 Y CA -2.651 55.559 58.100 0.183 0.000 1.044 129 Y CB 3.081 41.687 38.460 0.243 0.000 1.230 129 Y HN -0.017 8.266 8.280 0.005 0.000 0.455 130 H N 1.774 121.004 119.070 0.266 0.000 3.139 130 H HA 0.225 4.884 4.556 0.172 0.000 0.325 130 H C -1.043 174.377 175.328 0.153 0.000 1.146 130 H CA 0.700 56.851 56.048 0.172 0.000 1.351 130 H CB 4.033 33.860 29.762 0.109 0.000 2.005 130 H HN 0.053 8.567 8.280 0.389 0.000 0.517 131 K N 4.532 124.798 120.400 -0.223 0.000 2.074 131 K HA -0.303 4.143 4.320 -0.001 -0.126 0.209 131 K C -0.543 176.121 176.600 0.107 0.000 1.048 131 K CA 2.337 58.588 56.287 -0.060 0.000 0.926 131 K CB -0.053 32.364 32.500 -0.139 0.000 0.713 131 K HN 0.325 8.238 8.250 -0.562 0.000 0.444 132 D N 1.245 121.811 120.400 0.277 0.000 2.277 132 D HA 0.129 4.891 4.640 0.203 0.000 0.249 132 D C 0.575 177.063 176.300 0.314 0.000 1.134 132 D CA -0.234 53.946 54.000 0.301 0.000 0.863 132 D CB 1.110 42.100 40.800 0.316 0.000 1.143 132 D HN -0.678 7.923 8.370 0.403 0.011 0.458 133 Q N 3.945 123.903 119.800 0.263 0.000 2.170 133 Q HA -0.385 4.249 4.340 0.490 0.000 0.203 133 Q C 1.911 178.028 176.000 0.196 0.000 0.976 133 Q CA 3.787 59.797 55.803 0.345 0.000 0.858 133 Q CB 0.025 28.978 28.738 0.357 0.000 0.907 133 Q HN 0.554 8.957 8.270 0.223 0.000 0.433 134 S N -0.571 115.204 115.700 0.125 0.000 2.368 134 S HA -0.263 4.226 4.470 0.032 0.000 0.225 134 S C 2.022 176.647 174.600 0.042 0.000 1.030 134 S CA 3.010 61.244 58.200 0.056 0.000 0.999 134 S CB -0.421 62.803 63.200 0.040 0.000 0.844 134 S HN 0.167 8.539 8.310 0.134 0.019 0.459 135 T N 4.754 119.319 114.554 0.019 0.000 2.746 135 T HA -0.350 3.939 4.350 -0.103 0.000 0.267 135 T C 1.512 176.205 174.700 -0.012 0.000 1.039 135 T CA 4.358 66.401 62.100 -0.094 0.000 1.142 135 T CB -0.262 68.349 68.868 -0.427 0.000 0.866 135 T HN -0.689 7.583 8.240 0.053 0.000 0.444 136 V N 1.424 121.386 119.914 0.080 0.000 2.453 136 V HA -0.425 3.747 4.120 0.087 0.000 0.247 136 V C 1.536 177.676 176.094 0.076 0.000 1.048 136 V CA 3.949 66.329 62.300 0.134 0.000 1.049 136 V CB -0.162 31.852 31.823 0.318 0.000 0.672 136 V HN -0.867 7.405 8.190 0.138 0.000 0.457 137 L N -1.793 119.427 121.223 -0.005 0.000 2.217 137 L HA -0.304 3.936 4.340 -0.166 0.000 0.211 137 L C 2.022 178.880 176.870 -0.019 0.000 1.107 137 L CA 2.477 57.242 54.840 -0.125 0.000 0.783 137 L CB -0.407 41.488 42.059 -0.273 0.000 0.919 137 L HN -0.524 7.712 8.230 0.010 0.000 0.442 138 H N 0.521 119.557 119.070 -0.058 0.000 2.299 138 H HA -0.316 4.214 4.556 -0.043 0.000 0.302 138 H C 2.099 177.406 175.328 -0.035 0.000 1.078 138 H CA 3.951 59.972 56.048 -0.046 0.000 1.323 138 H CB 0.234 29.965 29.762 -0.051 0.000 1.381 138 H HN -0.273 8.067 8.280 0.135 0.021 0.498 139 S N -0.616 115.105 115.700 0.035 0.000 2.400 139 S HA -0.437 4.004 4.470 -0.048 0.000 0.232 139 S C 2.089 176.653 174.600 -0.059 0.000 1.025 139 S CA 3.322 61.507 58.200 -0.025 0.000 0.993 139 S CB -0.050 63.155 63.200 0.008 0.000 0.808 139 S HN -0.651 7.731 8.310 0.119 0.000 0.478 140 G N 0.339 109.126 108.800 -0.022 0.000 2.418 140 G HA2 -0.267 3.713 3.960 0.033 0.000 0.217 140 G HA3 -0.267 3.741 3.960 0.079 0.000 0.217 140 G C 0.557 175.475 174.900 0.030 0.000 1.158 140 G CA 1.829 46.950 45.100 0.036 0.000 0.771 140 G HN -0.552 7.718 8.290 -0.009 0.015 0.545 141 D N 1.192 121.559 120.400 -0.055 0.000 2.347 141 D HA 0.014 4.617 4.640 -0.062 0.000 0.213 141 D C 2.080 178.293 176.300 -0.146 0.000 0.985 141 D CA 2.101 56.044 54.000 -0.096 0.000 0.879 141 D CB -0.210 40.519 40.800 -0.118 0.000 0.919 141 D HN -0.579 7.739 8.370 -0.087 0.000 0.526 142 V N -0.050 119.747 119.914 -0.193 0.000 2.788 142 V HA -0.289 3.725 4.120 -0.177 0.000 0.251 142 V C 0.731 176.768 176.094 -0.095 0.000 1.068 142 V CA 3.394 65.586 62.300 -0.179 0.000 1.090 142 V CB 0.071 31.759 31.823 -0.226 0.000 0.710 142 V HN -0.589 7.328 8.190 -0.206 0.149 0.467 143 V N -1.275 118.598 119.914 -0.068 0.000 2.379 143 V HA -0.409 3.685 4.120 -0.043 0.000 0.245 143 V C 1.547 177.621 176.094 -0.032 0.000 1.044 143 V CA 3.753 66.028 62.300 -0.041 0.000 1.036 143 V CB 0.264 32.071 31.823 -0.027 0.000 0.664 143 V HN -0.811 7.339 8.190 -0.067 0.000 0.453 144 L N -1.753 119.451 121.223 -0.031 0.000 2.072 144 L HA -0.353 3.969 4.340 -0.030 0.000 0.205 144 L C 1.834 178.674 176.870 -0.050 0.000 1.079 144 L CA 2.946 57.762 54.840 -0.040 0.000 0.752 144 L CB -0.462 41.560 42.059 -0.062 0.000 0.906 144 L HN -0.889 7.324 8.230 -0.029 0.000 0.436 145 D N -3.314 117.051 120.400 -0.059 0.000 2.371 145 D HA -0.101 4.509 4.640 -0.051 0.000 0.221 145 D C 0.486 176.760 176.300 -0.044 0.000 0.986 145 D CA 1.930 55.898 54.000 -0.055 0.000 0.899 145 D CB -0.484 40.277 40.800 -0.065 0.000 0.902 145 D HN -0.576 7.753 8.370 -0.068 0.000 0.530 146 A N -1.821 120.974 122.820 -0.041 0.000 2.115 146 A HA 0.063 4.365 4.320 -0.030 0.000 0.211 146 A C 0.367 177.936 177.584 -0.024 0.000 1.169 146 A CA 1.360 53.378 52.037 -0.031 0.000 0.787 146 A CB 0.786 19.767 19.000 -0.032 0.000 0.858 146 A HN -0.561 7.374 8.150 -0.043 0.189 0.474 147 I N -7.269 113.286 120.570 -0.025 0.000 3.877 147 I HA 0.263 4.424 4.170 -0.016 0.000 0.332 147 I C -0.054 176.050 176.117 -0.021 0.000 1.525 147 I CA -1.347 59.941 61.300 -0.019 0.000 1.146 147 I CB 0.015 38.005 38.000 -0.016 0.000 1.137 147 I HN -0.917 7.169 8.210 -0.029 0.106 0.424 148 G N 0.385 109.170 108.800 -0.025 0.000 2.354 148 G HA2 -0.398 3.545 3.960 -0.029 0.000 0.278 148 G HA3 -0.398 3.549 3.960 -0.022 0.000 0.278 148 G C -1.520 173.362 174.900 -0.031 0.000 0.953 148 G CA 0.624 45.708 45.100 -0.026 0.000 1.346 148 G HN -0.168 8.047 8.290 -0.027 0.059 0.467 149 S N -0.665 115.010 115.700 -0.042 0.000 2.615 149 S HA 0.210 4.650 4.470 -0.050 0.000 0.269 149 S C -2.638 171.912 174.600 -0.083 0.000 1.161 149 S CA -1.483 56.684 58.200 -0.055 0.000 0.817 149 S CB 1.470 64.642 63.200 -0.046 0.000 1.131 149 S HN -0.469 7.813 8.310 -0.046 0.000 0.467 150 E N -1.234 118.896 120.200 -0.116 0.000 2.446 150 E HA 0.276 4.521 4.350 -0.176 0.000 0.269 150 E C -0.005 176.423 176.600 -0.288 0.000 0.977 150 E CA -1.479 54.817 56.400 -0.172 0.000 0.854 150 E CB 2.085 31.709 29.700 -0.127 0.000 1.545 150 E HN -0.189 8.105 8.360 -0.110 0.000 0.448 151 V N 0.221 119.893 119.914 -0.404 0.000 2.427 151 V HA -0.283 3.289 4.120 -0.913 0.000 0.248 151 V C 1.370 177.160 176.094 -0.507 0.000 1.051 151 V CA 3.730 65.644 62.300 -0.643 0.000 1.048 151 V CB 0.196 31.641 31.823 -0.631 0.000 0.666 151 V HN 0.464 8.452 8.190 -0.337 0.000 0.456 152 R N -2.349 117.908 120.500 -0.406 0.000 2.275 152 R HA -0.097 3.845 4.340 -0.664 0.000 0.199 152 R C 0.752 176.934 176.300 -0.197 0.000 0.989 152 R CA 1.493 57.352 56.100 -0.401 0.000 1.016 152 R CB -0.859 29.341 30.300 -0.168 0.000 0.918 152 R HN 0.040 8.129 8.270 -0.302 0.000 0.473 153 K N -1.779 118.529 120.400 -0.154 0.000 2.486 153 K HA -0.107 4.175 4.320 -0.063 0.000 0.194 153 K C 0.499 177.063 176.600 -0.059 0.000 1.033 153 K CA 0.569 56.805 56.287 -0.084 0.000 1.004 153 K CB -0.107 32.351 32.500 -0.070 0.000 0.798 153 K HN -0.579 7.524 8.250 -0.178 0.041 0.495 154 R N -2.308 118.150 120.500 -0.071 0.000 2.784 154 R HA -0.144 4.410 4.340 0.034 -0.194 0.266 154 R C 0.379 176.696 176.300 0.029 0.000 1.044 154 R CA -0.268 55.843 56.100 0.019 0.000 1.151 154 R CB 0.675 31.037 30.300 0.103 0.000 1.037 154 R HN -0.946 7.187 8.270 -0.129 0.060 0.478 155 T N 3.703 118.302 114.554 0.075 0.000 2.814 155 T HA -0.034 4.322 4.350 0.010 0.000 0.297 155 T C -0.205 174.501 174.700 0.010 0.000 0.956 155 T CA 0.689 62.813 62.100 0.040 0.000 1.123 155 T CB 0.814 69.701 68.868 0.031 0.000 0.902 155 T HN -0.199 7.997 8.240 0.105 0.108 0.528 156 K N 7.436 127.803 120.400 -0.055 0.000 2.451 156 K HA 0.015 4.216 4.320 -0.198 0.000 0.280 156 K C -1.719 174.763 176.600 -0.198 0.000 1.020 156 K CA -1.387 54.818 56.287 -0.138 0.000 1.008 156 K CB 0.096 32.553 32.500 -0.072 0.000 0.917 156 K HN 0.302 8.531 8.250 -0.036 0.000 0.478 157 P HA -0.008 4.436 4.420 -0.243 -0.170 0.271 157 P C -1.687 175.536 177.300 -0.129 0.000 1.233 157 P CA -0.253 62.650 63.100 -0.329 0.000 0.789 157 P CB 0.965 32.347 31.700 -0.529 0.000 0.951 158 S N -1.588 114.084 115.700 -0.047 0.000 2.563 158 S HA 0.218 4.686 4.470 -0.003 0.000 0.279 158 S C -1.574 173.062 174.600 0.061 0.000 1.155 158 S CA -0.596 57.608 58.200 0.007 0.000 0.928 158 S CB 1.045 64.258 63.200 0.021 0.000 1.107 158 S HN -0.306 7.988 8.310 -0.027 0.000 0.462 159 T N 7.817 122.409 114.554 0.064 0.000 2.856 159 T HA 0.360 4.948 4.350 0.113 -0.170 0.292 159 T C 0.114 174.885 174.700 0.119 0.000 0.980 159 T CA 0.368 62.524 62.100 0.094 0.000 1.091 159 T CB 1.074 69.984 68.868 0.069 0.000 0.936 159 T HN 0.388 8.655 8.240 0.045 0.000 0.503 160 S N 4.056 119.859 115.700 0.171 0.000 2.524 160 S HA 0.232 4.801 4.470 0.165 0.000 0.222 160 S C -0.703 174.065 174.600 0.281 0.000 1.040 160 S CA 0.282 58.602 58.200 0.199 0.000 0.915 160 S CB 1.528 64.856 63.200 0.212 0.000 0.831 160 S HN 0.433 8.857 8.310 0.189 0.000 0.492 161 W N 1.131 122.439 121.300 0.013 0.000 3.479 161 W HA 0.172 4.829 4.660 -0.006 0.000 0.304 161 W C -2.667 173.832 176.519 -0.033 0.000 1.243 161 W CA 0.600 57.937 57.345 -0.014 0.000 1.202 161 W CB 3.806 33.243 29.460 -0.038 0.000 1.346 161 W HN -0.553 7.781 8.180 0.256 0.000 0.539 162 T N 5.853 120.048 114.554 -0.598 0.000 3.933 162 T HA 0.518 4.956 4.350 -0.295 -0.264 0.379 162 T C -1.982 172.465 174.700 -0.422 0.000 1.232 162 T CA -0.123 61.767 62.100 -0.351 0.000 1.122 162 T CB 0.718 69.558 68.868 -0.047 0.000 1.239 162 T HN -0.072 7.490 8.240 -1.129 0.000 0.475 163 E N 6.399 126.448 120.200 -0.253 0.000 2.437 163 E HA 0.316 4.612 4.350 -0.091 0.000 0.280 163 E C -2.306 174.352 176.600 0.096 0.000 1.044 163 E CA -1.402 54.932 56.400 -0.110 0.000 0.826 163 E CB 3.612 33.195 29.700 -0.196 0.000 1.358 163 E HN -0.027 8.193 8.360 -0.232 0.000 0.459 164 V N 1.247 121.222 119.914 0.100 0.000 2.325 164 V HA 0.532 4.965 4.120 0.178 -0.207 0.280 164 V C -0.784 175.351 176.094 0.068 0.000 1.016 164 V CA -1.130 61.248 62.300 0.130 0.000 0.818 164 V CB 0.970 32.862 31.823 0.114 0.000 1.019 164 V HN 0.370 8.591 8.190 0.051 0.000 0.434 165 I N 7.874 128.480 120.570 0.061 0.000 2.371 165 I HA 0.066 4.261 4.170 0.040 0.000 0.290 165 I C -1.046 175.078 176.117 0.012 0.000 1.028 165 I CA -0.284 61.037 61.300 0.035 0.000 1.345 165 I CB 0.770 38.786 38.000 0.026 0.000 1.407 165 I HN -0.147 8.103 8.210 0.066 0.000 0.501 166 C N 6.534 125.840 119.300 0.011 0.000 2.358 166 C HA 0.077 4.538 4.460 0.001 0.000 0.354 166 C C -0.176 174.813 174.990 -0.003 0.000 1.183 166 C CA -1.013 58.007 59.018 0.004 0.000 2.150 166 C CB 2.249 29.994 27.740 0.007 0.000 2.361 166 C HN 0.324 8.565 8.230 0.017 0.000 0.535 167 A N 2.429 125.246 122.820 -0.006 0.000 2.416 167 A HA -0.325 3.881 4.320 -0.005 0.111 0.293 167 A C -0.217 177.362 177.584 -0.009 0.000 1.452 167 A CA 0.565 52.599 52.037 -0.004 0.000 0.738 167 A CB -1.340 17.663 19.000 0.004 0.000 1.123 167 A HN 0.618 8.765 8.150 -0.006 0.000 0.389 168 I N -0.789 119.761 120.570 -0.033 0.000 2.872 168 I HA -0.112 4.022 4.170 -0.061 0.000 0.291 168 I C 0.587 176.702 176.117 -0.002 0.000 1.216 168 I CA 0.258 61.524 61.300 -0.057 0.000 1.424 168 I CB 0.244 38.162 38.000 -0.137 0.000 1.351 168 I HN -0.725 7.461 8.210 -0.039 0.000 0.592 169 T N 1.442 116.021 114.554 0.042 0.000 2.899 169 T HA 0.358 4.731 4.350 0.039 0.000 0.284 169 T C -0.490 174.251 174.700 0.069 0.000 1.004 169 T CA -3.066 59.069 62.100 0.059 0.000 1.043 169 T CB 0.740 69.653 68.868 0.075 0.000 1.013 169 T HN -0.041 8.239 8.240 0.067 0.000 0.518 170 P HA -0.291 4.152 4.420 0.038 0.000 0.216 170 P C 1.202 178.536 177.300 0.057 0.000 1.153 170 P CA 2.973 66.099 63.100 0.043 0.000 0.858 170 P CB -0.060 31.657 31.700 0.030 0.000 0.789 171 D N -4.697 115.738 120.400 0.059 0.000 2.117 171 D HA -0.226 4.435 4.640 0.035 0.000 0.197 171 D C 2.165 178.512 176.300 0.079 0.000 0.987 171 D CA 3.289 57.318 54.000 0.049 0.000 0.829 171 D CB -0.666 40.150 40.800 0.026 0.000 0.961 171 D HN 0.444 8.846 8.370 0.055 0.000 0.460 172 H N 0.299 119.372 119.070 0.005 0.000 2.353 172 H HA -0.231 4.327 4.556 0.002 0.000 0.300 172 H C 1.778 177.110 175.328 0.007 0.000 1.090 172 H CA 2.809 58.861 56.048 0.005 0.000 1.327 172 H CB 0.187 29.954 29.762 0.009 0.000 1.383 172 H HN -0.777 7.622 8.280 0.198 0.000 0.508 173 A N -1.833 121.096 122.820 0.181 0.000 1.969 173 A HA -0.246 4.126 4.320 0.087 0.000 0.218 173 A C 1.942 179.576 177.584 0.082 0.000 1.169 173 A CA 3.032 55.126 52.037 0.096 0.000 0.635 173 A CB -0.527 18.501 19.000 0.046 0.000 0.810 173 A HN -0.519 7.721 8.150 0.149 0.000 0.445 174 V N -1.504 118.452 119.914 0.070 0.000 2.358 174 V HA -0.556 3.588 4.120 0.039 0.000 0.246 174 V C 1.761 177.881 176.094 0.043 0.000 1.047 174 V CA 4.121 66.448 62.300 0.045 0.000 1.035 174 V CB 0.056 31.898 31.823 0.031 0.000 0.658 174 V HN -0.742 7.492 8.190 0.073 0.000 0.452 175 L N -1.444 119.808 121.223 0.048 0.000 2.217 175 L HA -0.292 4.058 4.340 0.017 0.000 0.211 175 L C 2.261 179.162 176.870 0.052 0.000 1.107 175 L CA 2.857 57.714 54.840 0.029 0.000 0.783 175 L CB -0.139 41.912 42.059 -0.012 0.000 0.919 175 L HN -0.920 7.344 8.230 0.056 0.000 0.442 176 I N -2.509 118.120 120.570 0.097 0.000 2.439 176 I HA -0.377 3.846 4.170 0.087 0.000 0.251 176 I C 0.540 176.693 176.117 0.060 0.000 1.139 176 I CA 3.116 64.472 61.300 0.093 0.000 1.438 176 I CB -0.047 38.020 38.000 0.112 0.000 1.085 176 I HN -0.584 7.599 8.210 0.128 0.104 0.427 177 N N -3.403 115.328 118.700 0.052 0.000 2.415 177 N HA -0.024 4.743 4.740 0.043 0.000 0.176 177 N C 1.828 177.358 175.510 0.034 0.000 1.042 177 N CA 1.461 54.536 53.050 0.041 0.000 0.902 177 N CB 0.447 38.956 38.487 0.035 0.000 0.986 177 N HN -0.512 7.767 8.380 0.055 0.134 0.447 178 R N -1.379 119.139 120.500 0.030 0.000 2.195 178 R HA 0.098 4.450 4.340 0.021 0.000 0.197 178 R C 0.064 176.376 176.300 0.021 0.000 0.990 178 R CA 1.353 57.466 56.100 0.022 0.000 1.048 178 R CB 0.877 31.187 30.300 0.016 0.000 0.997 178 R HN -0.422 7.868 8.270 0.033 0.000 0.502 179 Q N 0.781 120.595 119.800 0.023 0.000 2.452 179 Q HA -0.055 4.294 4.340 0.015 0.000 0.230 179 Q C -0.859 175.158 176.000 0.028 0.000 1.180 179 Q CA 0.069 55.884 55.803 0.019 0.000 0.914 179 Q CB -0.938 27.807 28.738 0.013 0.000 1.408 179 Q HN -0.652 7.634 8.270 0.026 0.000 0.520 180 N N 1.068 119.785 118.700 0.028 0.000 2.696 180 N HA -0.366 4.393 4.740 0.031 0.000 0.256 180 N C -1.581 173.962 175.510 0.055 0.000 1.031 180 N CA 0.962 54.034 53.050 0.036 0.000 0.730 180 N CB -0.709 37.800 38.487 0.036 0.000 0.894 180 N HN 0.031 8.425 8.380 0.023 0.000 0.544 181 R N -0.588 119.946 120.500 0.056 0.000 2.445 181 R HA 0.076 4.481 4.340 0.108 0.000 0.308 181 R C -1.200 175.150 176.300 0.083 0.000 0.961 181 R CA -0.347 55.803 56.100 0.083 0.000 0.862 181 R CB 1.083 31.425 30.300 0.070 0.000 1.144 181 R HN -0.261 8.035 8.270 0.044 0.000 0.447 182 S N 5.714 121.503 115.700 0.149 0.000 2.701 182 S HA 0.269 4.739 4.470 -0.001 0.000 0.242 182 S C -0.618 174.081 174.600 0.165 0.000 1.025 182 S CA -0.214 58.015 58.200 0.049 0.000 1.016 182 S CB 2.086 65.175 63.200 -0.186 0.000 0.977 182 S HN 0.246 8.876 8.310 0.250 -0.170 0.546 183 G N 0.974 109.954 108.800 0.301 0.000 2.882 183 G HA2 0.383 4.580 3.960 0.396 0.000 0.164 183 G HA3 0.383 4.526 3.960 0.243 -0.038 0.164 183 G C -1.899 173.078 174.900 0.128 0.000 1.429 183 G CA -1.088 44.182 45.100 0.284 0.000 1.059 183 G HN -0.640 7.805 8.290 0.258 0.000 0.581 184 S N -0.670 115.082 115.700 0.087 0.000 2.745 184 S HA 0.188 4.687 4.470 0.048 0.000 0.292 184 S C 0.177 174.801 174.600 0.040 0.000 1.133 184 S CA -0.874 57.357 58.200 0.052 0.000 0.998 184 S CB 1.932 65.155 63.200 0.038 0.000 1.087 184 S HN -0.131 8.227 8.310 0.081 0.000 0.551 185 M N 1.118 120.736 119.600 0.029 0.000 2.211 185 M HA -0.145 4.484 4.480 0.028 -0.133 0.356 185 M C -0.599 175.712 176.300 0.019 0.000 1.216 185 M CA 0.152 55.467 55.300 0.024 0.000 1.134 185 M CB 0.491 33.103 32.600 0.020 0.000 1.564 185 M HN 0.204 8.509 8.290 0.026 0.000 0.463 186 I N 5.152 125.733 120.570 0.018 0.000 2.428 186 I HA -0.010 4.163 4.170 0.007 0.000 0.296 186 I C -1.421 174.701 176.117 0.008 0.000 0.985 186 I CA -1.262 60.043 61.300 0.009 0.000 1.260 186 I CB 1.825 39.825 38.000 0.000 0.000 1.389 186 I HN -0.276 8.189 8.210 0.022 -0.242 0.484 187 Q N 6.552 126.354 119.800 0.003 0.000 2.241 187 Q HA 0.337 4.682 4.340 0.009 0.000 0.262 187 Q C -1.308 174.692 176.000 0.000 0.000 1.014 187 Q CA -2.472 53.334 55.803 0.005 0.000 0.885 187 Q CB 2.336 31.077 28.738 0.004 0.000 1.311 187 Q HN -0.139 8.131 8.270 0.000 0.000 0.461 188 S N -0.253 115.451 115.700 0.005 0.000 2.580 188 S HA -0.235 4.373 4.470 0.000 -0.138 0.274 188 S C 1.262 175.863 174.600 0.002 0.000 1.329 188 S CA 0.242 58.444 58.200 0.005 0.000 1.036 188 S CB 0.540 63.748 63.200 0.014 0.000 0.919 188 S HN 0.082 8.397 8.310 0.009 0.000 0.515 189 G N 2.307 111.107 108.800 -0.001 0.000 2.159 189 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.256 189 G HA3 -0.450 3.511 3.960 0.001 0.000 0.256 189 G C -1.673 173.224 174.900 -0.005 0.000 0.977 189 G CA 0.036 45.136 45.100 -0.001 0.000 0.652 189 G HN 0.496 8.785 8.290 -0.002 0.000 0.531 190 M N 1.091 120.685 119.600 -0.010 0.000 2.167 190 M HA 0.156 4.632 4.480 -0.007 0.000 0.333 190 M C -0.710 175.579 176.300 -0.018 0.000 1.030 190 M CA -0.884 54.409 55.300 -0.011 0.000 0.963 190 M CB 1.582 34.177 32.600 -0.009 0.000 1.589 190 M HN -0.765 7.469 8.290 -0.014 0.048 0.431 191 S N 6.243 121.938 115.700 -0.009 0.000 2.612 191 S HA 0.116 4.712 4.470 -0.010 -0.133 0.253 191 S C -0.855 173.745 174.600 0.001 0.000 1.346 191 S CA 1.646 59.844 58.200 -0.003 0.000 0.976 191 S CB 0.910 64.116 63.200 0.009 0.000 0.949 191 S HN 0.056 8.363 8.310 -0.005 0.000 0.584 192 M N -0.897 118.717 119.600 0.023 0.000 2.373 192 M HA 0.180 4.907 4.480 0.051 -0.216 0.290 192 M C -2.638 173.736 176.300 0.124 0.000 1.143 192 M CA 0.017 55.341 55.300 0.040 0.000 0.949 192 M CB 4.355 36.933 32.600 -0.037 0.000 1.756 192 M HN -0.130 8.181 8.290 0.035 0.000 0.494 193 F N 6.445 126.387 119.950 -0.014 0.000 2.449 193 F HA 0.769 5.477 4.527 0.003 -0.178 0.342 193 F C -1.969 173.845 175.800 0.024 0.000 1.127 193 F CA -2.594 55.406 58.000 -0.000 0.000 0.975 193 F CB 2.873 41.865 39.000 -0.014 0.000 1.146 193 F HN -0.461 7.969 8.300 0.218 0.000 0.444 194 I N 3.499 123.683 120.570 -0.643 0.000 2.474 194 I HA 1.078 5.258 4.170 -0.440 -0.274 0.294 194 I C -2.461 173.242 176.117 -0.690 0.000 1.005 194 I CA -2.479 58.521 61.300 -0.499 0.000 1.113 194 I CB 2.895 40.848 38.000 -0.079 0.000 1.289 194 I HN 0.083 7.995 8.210 -0.495 0.000 0.436 195 L N 4.519 125.463 121.223 -0.465 0.000 2.422 195 L HA 0.758 5.160 4.340 -0.186 -0.174 0.264 195 L C -2.549 174.308 176.870 -0.021 0.000 0.984 195 L CA -1.185 53.506 54.840 -0.249 0.000 0.819 195 L CB 4.657 46.575 42.059 -0.235 0.000 1.330 195 L HN -0.095 7.929 8.230 -0.344 0.000 0.410 196 E N 3.670 123.922 120.200 0.087 0.000 2.293 196 E HA 0.682 5.305 4.350 0.109 -0.208 0.270 196 E C -1.399 175.305 176.600 0.172 0.000 0.879 196 E CA -1.730 54.752 56.400 0.136 0.000 0.756 196 E CB 4.130 33.926 29.700 0.160 0.000 1.208 196 E HN -0.146 8.281 8.360 0.112 0.000 0.428 197 T N 5.538 120.210 114.554 0.197 0.000 2.894 197 T HA 0.446 5.070 4.350 0.166 -0.174 0.309 197 T C -2.450 172.328 174.700 0.129 0.000 1.208 197 T CA -0.765 61.434 62.100 0.165 0.000 1.016 197 T CB 3.239 72.179 68.868 0.120 0.000 1.192 197 T HN -0.084 8.282 8.240 0.211 0.000 0.491 198 E N 2.689 122.907 120.200 0.030 0.000 2.278 198 E HA 0.637 4.910 4.350 -0.256 -0.076 0.272 198 E C -2.522 174.042 176.600 -0.060 0.000 0.890 198 E CA -3.716 52.566 56.400 -0.196 0.000 0.770 198 E CB 3.975 33.343 29.700 -0.553 0.000 1.212 198 E HN -0.261 8.133 8.360 0.057 0.000 0.415 199 P HA 0.093 4.357 4.420 -0.260 0.000 0.270 199 P C -0.086 177.217 177.300 0.004 0.000 1.223 199 P CA -0.145 62.920 63.100 -0.058 0.000 0.785 199 P CB 0.743 32.463 31.700 0.033 0.000 0.923 200 A N 1.805 124.561 122.820 -0.106 0.000 1.969 200 A HA -0.179 4.335 4.320 -0.009 -0.199 0.218 200 A C 2.234 179.733 177.584 -0.143 0.000 1.169 200 A CA 2.818 54.824 52.037 -0.051 0.000 0.635 200 A CB 0.115 19.118 19.000 0.006 0.000 0.810 200 A HN 0.459 8.501 8.150 -0.180 0.000 0.445 201 G N -2.119 106.549 108.800 -0.221 0.000 2.475 201 G HA2 -0.275 3.047 3.960 -1.062 0.000 0.220 201 G HA3 -0.275 3.399 3.960 -0.476 0.000 0.220 201 G C 1.186 175.753 174.900 -0.555 0.000 1.125 201 G CA 1.849 46.578 45.100 -0.618 0.000 0.755 201 G HN 0.315 8.529 8.290 -0.126 0.000 0.565 202 Y N 0.917 121.134 120.300 -0.139 0.000 2.632 202 Y HA -0.221 4.292 4.550 -0.063 0.000 0.301 202 Y C 1.533 177.378 175.900 -0.091 0.000 1.172 202 Y CA 1.200 59.253 58.100 -0.078 0.000 1.328 202 Y CB -0.801 37.648 38.460 -0.019 0.000 1.016 202 Y HN -0.853 7.324 8.280 -0.117 0.033 0.529 203 V N -3.131 116.762 119.914 -0.035 0.000 2.626 203 V HA -0.417 3.714 4.120 0.019 0.000 0.252 203 V C 0.941 176.985 176.094 -0.084 0.000 1.067 203 V CA 3.125 65.399 62.300 -0.043 0.000 1.081 203 V CB -0.429 31.345 31.823 -0.081 0.000 0.686 203 V HN -0.709 7.354 8.190 -0.106 0.064 0.468 204 L N -0.679 120.444 121.223 -0.167 0.000 2.093 204 L HA -0.360 3.894 4.340 -0.142 0.000 0.208 204 L C 2.082 178.916 176.870 -0.060 0.000 1.085 204 L CA 2.685 57.437 54.840 -0.147 0.000 0.755 204 L CB -0.739 41.190 42.059 -0.217 0.000 0.904 204 L HN -0.694 7.364 8.230 -0.247 0.023 0.435 205 K N -1.064 119.329 120.400 -0.012 0.000 2.147 205 K HA -0.370 3.965 4.320 0.024 0.000 0.205 205 K C 1.554 178.175 176.600 0.035 0.000 1.049 205 K CA 2.506 58.816 56.287 0.039 0.000 0.936 205 K CB -0.697 31.873 32.500 0.117 0.000 0.722 205 K HN -0.511 7.734 8.250 -0.007 0.000 0.446 206 A N -3.711 119.132 122.820 0.038 0.000 1.970 206 A HA -0.064 4.285 4.320 0.048 0.000 0.216 206 A C 1.556 179.158 177.584 0.030 0.000 1.170 206 A CA 2.419 54.486 52.037 0.050 0.000 0.645 206 A CB -0.745 18.309 19.000 0.090 0.000 0.816 206 A HN -0.698 7.353 8.150 0.036 0.121 0.447 207 A N -1.485 121.336 122.820 0.000 0.000 1.930 207 A HA -0.250 4.069 4.320 -0.003 0.000 0.215 207 A C 1.689 179.257 177.584 -0.026 0.000 1.176 207 A CA 2.819 54.843 52.037 -0.022 0.000 0.632 207 A CB -0.542 18.412 19.000 -0.076 0.000 0.819 207 A HN -0.373 7.674 8.150 -0.014 0.095 0.445 208 N N -2.160 116.525 118.700 -0.024 0.000 2.188 208 N HA -0.251 4.473 4.740 -0.026 0.000 0.184 208 N C 1.918 177.418 175.510 -0.017 0.000 1.018 208 N CA 2.807 55.843 53.050 -0.023 0.000 0.858 208 N CB -0.004 38.468 38.487 -0.025 0.000 0.989 208 N HN -0.448 7.919 8.380 -0.023 0.000 0.426 209 E N -0.905 119.290 120.200 -0.010 0.000 2.216 209 E HA -0.200 4.143 4.350 -0.010 0.000 0.192 209 E C 1.469 178.053 176.600 -0.027 0.000 0.988 209 E CA 2.015 58.408 56.400 -0.012 0.000 0.834 209 E CB -0.433 29.265 29.700 -0.003 0.000 0.772 209 E HN -0.738 7.619 8.360 -0.004 0.000 0.479 210 A N -0.188 122.614 122.820 -0.030 0.000 1.858 210 A HA -0.215 4.061 4.320 -0.073 0.000 0.216 210 A C 2.480 180.038 177.584 -0.043 0.000 1.190 210 A CA 3.001 55.008 52.037 -0.049 0.000 0.617 210 A CB -0.686 18.293 19.000 -0.035 0.000 0.827 210 A HN -0.618 7.520 8.150 -0.020 0.000 0.443 211 E N -1.028 119.153 120.200 -0.030 0.000 2.152 211 E HA -0.241 4.093 4.350 -0.027 0.000 0.192 211 E C 2.310 178.896 176.600 -0.024 0.000 0.983 211 E CA 2.242 58.626 56.400 -0.026 0.000 0.818 211 E CB -0.040 29.647 29.700 -0.022 0.000 0.758 211 E HN -0.582 7.761 8.360 -0.027 0.000 0.467 212 K N -1.664 118.723 120.400 -0.022 0.000 2.362 212 K HA -0.140 4.171 4.320 -0.015 0.000 0.200 212 K C 0.654 177.242 176.600 -0.020 0.000 1.046 212 K CA 2.020 58.296 56.287 -0.018 0.000 0.952 212 K CB -0.034 32.458 32.500 -0.013 0.000 0.753 212 K HN -0.595 7.642 8.250 -0.022 0.000 0.466 213 S N -3.472 112.211 115.700 -0.029 0.000 2.701 213 S HA 0.086 4.540 4.470 -0.027 0.000 0.242 213 S C -1.783 172.793 174.600 -0.040 0.000 1.025 213 S CA -0.683 57.497 58.200 -0.034 0.000 1.016 213 S CB 1.773 64.949 63.200 -0.041 0.000 0.977 213 S HN -0.700 7.422 8.310 -0.033 0.168 0.546 214 A N -0.861 121.936 122.820 -0.037 0.000 2.544 214 A HA 0.120 4.419 4.320 -0.035 0.000 0.291 214 A C -2.647 174.919 177.584 -0.030 0.000 1.055 214 A CA -0.114 51.900 52.037 -0.038 0.000 0.651 214 A CB 1.808 20.776 19.000 -0.054 0.000 1.296 214 A HN -0.807 7.323 8.150 -0.033 0.000 0.431 215 N N 0.387 119.071 118.700 -0.026 0.000 2.801 215 N HA 0.166 4.895 4.740 -0.018 0.000 0.235 215 N C -0.957 174.542 175.510 -0.018 0.000 1.069 215 N CA -0.585 52.453 53.050 -0.019 0.000 0.946 215 N CB -1.921 36.556 38.487 -0.016 0.000 1.212 215 N HN 0.218 8.582 8.380 -0.028 0.000 0.509 216 I N -1.342 119.218 120.570 -0.017 0.000 3.522 216 I HA 0.483 4.647 4.170 -0.010 0.000 0.292 216 I C -0.939 175.175 176.117 -0.005 0.000 1.147 216 I CA -2.621 58.672 61.300 -0.011 0.000 1.032 216 I CB 2.233 40.226 38.000 -0.013 0.000 1.337 216 I HN -0.692 7.507 8.210 -0.018 0.000 0.496 217 T N 2.689 117.244 114.554 0.001 0.000 2.847 217 T HA 0.262 4.770 4.350 0.002 -0.156 0.291 217 T C -0.842 173.859 174.700 0.002 0.000 0.998 217 T CA -0.551 61.551 62.100 0.004 0.000 0.967 217 T CB 2.108 70.980 68.868 0.007 0.000 0.954 217 T HN -0.257 7.986 8.240 0.006 0.000 0.441 218 I N 6.895 127.461 120.570 -0.006 0.000 2.517 218 I HA -0.208 3.934 4.170 -0.047 0.000 0.285 218 I C -0.364 175.744 176.117 -0.014 0.000 1.106 218 I CA -0.372 60.908 61.300 -0.034 0.000 1.402 218 I CB -1.729 36.236 38.000 -0.058 0.000 1.399 218 I HN 0.180 8.654 8.210 -0.003 -0.266 0.535 219 I N 7.272 127.825 120.570 -0.028 0.000 3.445 219 I HA 0.112 4.511 4.170 0.036 -0.208 0.288 219 I C 0.088 176.217 176.117 0.020 0.000 1.198 219 I CA 0.834 62.140 61.300 0.010 0.000 1.417 219 I CB 1.734 39.739 38.000 0.010 0.000 1.205 219 I HN 0.140 8.322 8.210 -0.047 0.000 0.448 220 D N -2.580 117.768 120.400 -0.086 0.000 2.706 220 D HA 0.226 4.871 4.640 0.008 0.000 0.227 220 D C -2.362 173.744 176.300 -0.323 0.000 1.233 220 D CA 0.217 54.157 54.000 -0.099 0.000 0.768 220 D CB 3.775 44.594 40.800 0.033 0.000 1.490 220 D HN -0.718 7.574 8.370 -0.130 0.000 0.458 221 V N 1.955 121.591 119.914 -0.463 0.000 2.595 221 V HA 0.184 4.306 4.120 -0.256 -0.155 0.269 221 V C -1.911 174.146 176.094 -0.061 0.000 0.982 221 V CA -0.824 61.250 62.300 -0.378 0.000 0.873 221 V CB 2.000 33.420 31.823 -0.673 0.000 1.051 221 V HN -0.049 7.948 8.190 -0.321 0.000 0.466 222 K N 6.631 127.021 120.400 -0.017 0.000 2.285 222 K HA 0.163 4.533 4.320 0.082 0.000 0.286 222 K C -1.348 175.228 176.600 -0.040 0.000 1.072 222 K CA -0.588 55.718 56.287 0.032 0.000 0.913 222 K CB 0.996 33.528 32.500 0.053 0.000 1.067 222 K HN -0.306 7.922 8.250 -0.037 0.000 0.479 223 A N 5.796 128.559 122.820 -0.095 0.000 2.508 223 A HA 0.250 4.422 4.320 -0.246 0.000 0.250 223 A C -1.626 175.911 177.584 -0.078 0.000 1.208 223 A CA -0.188 51.673 52.037 -0.294 0.000 0.960 223 A CB 1.060 19.585 19.000 -0.792 0.000 1.099 223 A HN 0.640 8.763 8.150 -0.045 0.000 0.542 224 V N -5.293 114.706 119.914 0.142 0.000 2.427 224 V HA 0.344 4.752 4.120 0.480 0.000 0.286 224 V C -0.696 175.563 176.094 0.274 0.000 1.034 224 V CA -1.394 61.100 62.300 0.324 0.000 0.893 224 V CB 1.395 33.407 31.823 0.315 0.000 0.982 224 V HN -0.725 7.534 8.190 0.115 0.000 0.452 225 G N 2.592 111.618 108.800 0.377 0.000 2.331 225 G HA2 -0.271 3.946 3.960 0.429 0.000 0.479 225 G HA3 -0.271 3.878 3.960 0.316 0.000 0.479 225 G C -1.476 173.720 174.900 0.493 0.000 1.262 225 G CA -0.783 44.566 45.100 0.414 0.000 1.029 225 G HN -0.192 8.377 8.290 0.464 0.000 0.487 226 A N -1.469 121.661 122.820 0.517 0.000 1.968 226 A HA 0.006 4.490 4.320 0.273 0.000 0.217 226 A C -0.850 176.657 177.584 -0.128 0.000 1.169 226 A CA 1.557 53.794 52.037 0.334 0.000 0.638 226 A CB 0.411 19.708 19.000 0.495 0.000 0.812 226 A HN 0.047 8.486 8.150 0.482 0.000 0.446 227 F N -6.494 113.526 119.950 0.116 0.000 2.640 227 F HA 0.492 5.196 4.527 0.057 -0.142 0.324 227 F C -1.012 174.818 175.800 0.050 0.000 1.077 227 F CA -1.926 56.115 58.000 0.068 0.000 0.965 227 F CB 4.657 43.692 39.000 0.058 0.000 1.351 227 F HN -0.994 7.592 8.300 0.477 0.000 0.487 228 G N -2.313 106.618 108.800 0.218 0.000 2.714 228 G HA2 0.716 4.811 3.960 0.082 0.000 0.292 228 G HA3 0.716 4.702 3.960 0.042 0.000 0.292 228 G C -2.333 172.614 174.900 0.078 0.000 1.308 228 G CA -1.438 43.719 45.100 0.095 0.000 0.964 228 G HN -0.136 8.307 8.290 0.254 0.000 0.484 229 R N -2.868 117.643 120.500 0.019 0.000 2.668 229 R HA 0.983 5.560 4.340 -0.002 -0.238 0.272 229 R C -2.004 174.266 176.300 -0.050 0.000 1.019 229 R CA -0.883 55.212 56.100 -0.007 0.000 0.894 229 R CB 5.098 35.397 30.300 -0.003 0.000 1.228 229 R HN 0.117 8.386 8.270 -0.003 0.000 0.460 230 L N 3.157 124.334 121.223 -0.077 0.000 2.476 230 L HA 0.536 4.965 4.340 -0.102 -0.150 0.269 230 L C -2.432 174.371 176.870 -0.111 0.000 0.965 230 L CA -0.143 54.643 54.840 -0.092 0.000 0.845 230 L CB 4.110 46.142 42.059 -0.046 0.000 1.259 230 L HN 0.139 8.315 8.230 -0.090 0.000 0.403 231 T N 9.720 124.229 114.554 -0.074 0.000 2.809 231 T HA 0.727 5.247 4.350 -0.063 -0.208 0.284 231 T C -1.330 173.372 174.700 0.003 0.000 0.992 231 T CA -0.514 61.560 62.100 -0.044 0.000 0.957 231 T CB 1.484 70.335 68.868 -0.030 0.000 0.942 231 T HN -0.062 8.127 8.240 -0.086 0.000 0.439 232 L N 5.191 126.455 121.223 0.068 0.000 2.235 232 L HA 1.027 5.572 4.340 0.043 -0.180 0.260 232 L C -1.494 175.413 176.870 0.062 0.000 1.025 232 L CA -2.530 52.359 54.840 0.083 0.000 0.836 232 L CB 4.489 46.642 42.059 0.156 0.000 1.395 232 L HN 0.059 8.344 8.230 0.090 0.000 0.443 233 A N -4.095 118.750 122.820 0.042 0.000 2.597 233 A HA 0.543 5.047 4.320 0.029 -0.166 0.292 233 A C -1.863 175.728 177.584 0.012 0.000 1.057 233 A CA -0.350 51.701 52.037 0.023 0.000 0.674 233 A CB 3.165 22.169 19.000 0.007 0.000 1.278 233 A HN -0.285 7.887 8.150 0.036 0.000 0.416 234 G N -2.267 106.536 108.800 0.006 0.000 2.362 234 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.288 234 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.288 234 G C -2.301 172.597 174.900 -0.003 0.000 1.305 234 G CA -0.071 45.029 45.100 -0.001 0.000 0.910 234 G HN -0.474 7.818 8.290 0.005 0.000 0.518 235 K N 1.321 121.717 120.400 -0.007 0.000 2.489 235 K HA -0.167 4.149 4.320 -0.006 0.000 0.278 235 K C 0.799 177.392 176.600 -0.010 0.000 1.000 235 K CA 0.805 57.088 56.287 -0.008 0.000 1.012 235 K CB 0.203 32.698 32.500 -0.009 0.000 0.903 235 K HN 0.320 8.566 8.250 -0.007 0.000 0.485 236 E N 4.830 125.025 120.200 -0.009 0.000 2.147 236 E HA -0.451 3.896 4.350 -0.006 0.000 0.199 236 E C 1.937 178.525 176.600 -0.020 0.000 1.005 236 E CA 3.574 59.968 56.400 -0.010 0.000 0.810 236 E CB -0.150 29.545 29.700 -0.007 0.000 0.736 236 E HN 0.749 9.105 8.360 -0.007 0.000 0.460 237 G N -2.495 106.293 108.800 -0.021 0.000 2.433 237 G HA2 -0.283 3.659 3.960 -0.030 0.000 0.216 237 G HA3 -0.283 3.662 3.960 -0.025 0.000 0.216 237 G C 1.525 176.402 174.900 -0.038 0.000 1.186 237 G CA 1.893 46.976 45.100 -0.028 0.000 0.779 237 G HN 0.175 8.436 8.290 -0.017 0.019 0.543 238 D N 2.592 122.972 120.400 -0.034 0.000 2.178 238 D HA -0.144 4.469 4.640 -0.045 0.000 0.202 238 D C 2.474 178.739 176.300 -0.058 0.000 0.974 238 D CA 2.774 56.749 54.000 -0.041 0.000 0.841 238 D CB -0.258 40.525 40.800 -0.029 0.000 0.953 238 D HN -0.622 7.732 8.370 -0.027 0.000 0.478 239 V N -0.654 119.232 119.914 -0.048 0.000 2.719 239 V HA -0.445 3.639 4.120 -0.059 0.000 0.252 239 V C 1.770 177.792 176.094 -0.120 0.000 1.065 239 V CA 3.698 65.966 62.300 -0.055 0.000 1.086 239 V CB -0.099 31.725 31.823 0.001 0.000 0.700 239 V HN -0.511 7.658 8.190 -0.034 0.000 0.467 240 E N -0.643 119.498 120.200 -0.098 0.000 2.230 240 E HA -0.220 4.040 4.350 -0.150 0.000 0.192 240 E C 1.951 178.461 176.600 -0.151 0.000 0.987 240 E CA 2.869 59.196 56.400 -0.122 0.000 0.841 240 E CB -0.166 29.492 29.700 -0.069 0.000 0.783 240 E HN -0.434 7.884 8.360 -0.071 0.000 0.481 241 E N -0.082 120.045 120.200 -0.121 0.000 2.216 241 E HA -0.180 4.107 4.350 -0.106 0.000 0.192 241 E C 1.038 177.549 176.600 -0.147 0.000 0.988 241 E CA 2.190 58.523 56.400 -0.112 0.000 0.834 241 E CB 0.139 29.793 29.700 -0.077 0.000 0.772 241 E HN -0.638 7.662 8.360 -0.100 0.000 0.479 242 A N -2.658 120.053 122.820 -0.181 0.000 2.030 242 A HA -0.006 4.217 4.320 -0.162 0.000 0.215 242 A C 1.435 178.781 177.584 -0.396 0.000 1.164 242 A CA 1.894 53.805 52.037 -0.210 0.000 0.697 242 A CB -0.257 18.651 19.000 -0.153 0.000 0.827 242 A HN -0.565 7.461 8.150 -0.172 0.020 0.457 243 A N -1.421 121.038 122.820 -0.601 0.000 1.897 243 A HA -0.179 2.977 4.320 -1.940 0.000 0.215 243 A C 1.572 178.785 177.584 -0.619 0.000 1.181 243 A CA 2.740 54.055 52.037 -1.204 0.000 0.620 243 A CB -0.569 17.710 19.000 -1.202 0.000 0.821 243 A HN -0.430 7.341 8.150 -0.470 0.097 0.443 244 A N -3.206 119.413 122.820 -0.334 0.000 2.067 244 A HA -0.198 4.030 4.320 -0.153 0.000 0.219 244 A C 1.582 179.083 177.584 -0.138 0.000 1.158 244 A CA 2.554 54.483 52.037 -0.180 0.000 0.661 244 A CB -0.717 18.208 19.000 -0.125 0.000 0.801 244 A HN -0.402 7.565 8.150 -0.305 0.000 0.452 245 A N -2.625 120.099 122.820 -0.160 0.000 1.975 245 A HA -0.079 4.197 4.320 -0.073 0.000 0.215 245 A C 1.595 179.133 177.584 -0.077 0.000 1.170 245 A CA 2.157 54.134 52.037 -0.101 0.000 0.656 245 A CB -0.669 18.274 19.000 -0.094 0.000 0.821 245 A HN -0.270 7.617 8.150 -0.207 0.139 0.449 246 A N -0.609 122.142 122.820 -0.114 0.000 1.897 246 A HA -0.176 4.254 4.320 0.006 -0.106 0.215 246 A C 1.816 179.423 177.584 0.039 0.000 1.181 246 A CA 2.505 54.533 52.037 -0.014 0.000 0.620 246 A CB -0.371 18.658 19.000 0.049 0.000 0.821 246 A HN -0.621 7.307 8.150 -0.208 0.097 0.443 247 I N -2.671 117.910 120.570 0.018 0.000 2.353 247 I HA -0.468 3.749 4.170 0.078 0.000 0.248 247 I C 1.815 177.941 176.117 0.014 0.000 1.119 247 I CA 3.483 64.809 61.300 0.044 0.000 1.417 247 I CB -0.164 37.858 38.000 0.038 0.000 1.078 247 I HN -0.616 7.571 8.210 -0.039 0.000 0.421 248 R N -1.014 119.481 120.500 -0.009 0.000 2.096 248 R HA -0.377 3.959 4.340 -0.007 0.000 0.235 248 R C 2.202 178.506 176.300 0.007 0.000 1.127 248 R CA 3.525 59.621 56.100 -0.008 0.000 0.968 248 R CB -0.261 30.027 30.300 -0.020 0.000 0.861 248 R HN -0.583 7.672 8.270 -0.026 0.000 0.440 249 A N -1.066 121.763 122.820 0.014 0.000 1.969 249 A HA -0.127 4.392 4.320 0.033 -0.179 0.218 249 A C 1.733 179.341 177.584 0.039 0.000 1.169 249 A CA 2.553 54.609 52.037 0.032 0.000 0.635 249 A CB -0.418 18.604 19.000 0.036 0.000 0.810 249 A HN -0.668 7.487 8.150 0.009 0.000 0.445 250 I N -3.466 117.123 120.570 0.033 0.000 2.439 250 I HA -0.348 3.829 4.170 0.011 0.000 0.251 250 I C 1.357 177.469 176.117 -0.008 0.000 1.139 250 I CA 1.673 62.982 61.300 0.015 0.000 1.438 250 I CB -0.916 37.100 38.000 0.028 0.000 1.085 250 I HN -0.676 7.437 8.210 0.034 0.118 0.427 251 D N -1.147 119.255 120.400 0.003 0.000 2.269 251 D HA -0.181 4.453 4.640 -0.009 0.000 0.208 251 D C 1.517 177.819 176.300 0.004 0.000 0.963 251 D CA 2.520 56.519 54.000 -0.002 0.000 0.864 251 D CB -0.635 40.164 40.800 -0.001 0.000 0.936 251 D HN -0.558 7.717 8.370 0.009 0.100 0.505 252 Q N -1.886 117.925 119.800 0.017 0.000 2.079 252 Q HA -0.248 4.104 4.340 0.020 0.000 0.200 252 Q C 2.598 178.636 176.000 0.063 0.000 0.974 252 Q CA 2.924 58.748 55.803 0.034 0.000 0.840 252 Q CB 0.289 29.057 28.738 0.051 0.000 0.898 252 Q HN -0.665 7.587 8.270 0.020 0.030 0.430 253 I N -2.238 118.364 120.570 0.052 0.000 2.617 253 I HA -0.250 4.024 4.170 0.174 0.000 0.256 253 I C 0.844 176.964 176.117 0.004 0.000 1.167 253 I CA 1.901 63.233 61.300 0.053 0.000 1.469 253 I CB -0.229 37.719 38.000 -0.087 0.000 1.098 253 I HN -0.533 7.695 8.210 0.029 0.000 0.436 254 S N -3.255 112.426 115.700 -0.032 0.000 2.547 254 S HA -0.098 4.339 4.470 -0.056 0.000 0.235 254 S C -0.312 174.294 174.600 0.011 0.000 0.980 254 S CA 1.369 59.550 58.200 -0.032 0.000 0.941 254 S CB 0.104 63.282 63.200 -0.036 0.000 0.763 254 S HN -0.606 7.599 8.310 -0.034 0.084 0.532 255 N N 0.197 118.917 118.700 0.034 0.000 3.012 255 N HA 0.139 4.891 4.740 0.020 0.000 0.270 255 N C -1.841 173.693 175.510 0.040 0.000 1.469 255 N CA -0.479 52.585 53.050 0.023 0.000 0.928 255 N CB 0.173 38.654 38.487 -0.010 0.000 1.219 255 N HN -0.728 7.499 8.380 0.042 0.178 0.492 256 Y N 0.000 120.287 120.300 -0.021 0.000 2.660 256 Y HA 0.000 4.544 4.550 -0.009 0.000 0.201 256 Y CA 0.000 58.091 58.100 -0.014 0.000 1.940 256 Y CB 0.000 38.453 38.460 -0.012 0.000 1.050 256 Y HN 0.000 8.377 8.280 0.161 0.000 0.758