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 1jqr_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLTLIQGKKI VNHLRSRLAF EYNGQLIKIL SKNIVAVGSL RREEKMLNDV DATA SEQUENCE DLLIIVPEKK LLKHVLPNIR IKGLSFSVKV cGERKcVLFI EWEKKTYQLD DATA SEQUENCE LFTALAEEKP YAIFHFTGPV SYLIRIRAAL KKKNYKLNQY GLFKNQTLVP DATA SEQUENCE LKITTEKELI KELGFTYRIP KKRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.437 4.480 -0.071 0.000 0.227 1 M C 0.000 176.250 176.300 -0.083 0.000 1.140 1 M CA 0.000 55.247 55.300 -0.088 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.049 0.000 1.302 2 L N -0.905 120.268 121.223 -0.083 0.000 2.375 2 L HA 0.582 4.929 4.340 0.010 0.000 0.268 2 L C -1.464 175.415 176.870 0.014 0.000 1.058 2 L CA -0.790 54.046 54.840 -0.008 0.000 0.803 2 L CB 1.647 43.742 42.059 0.060 0.000 1.212 2 L HN 0.064 8.235 8.230 -0.098 0.000 0.451 3 T N -3.222 111.356 114.554 0.040 0.000 2.847 3 T HA 0.016 4.372 4.350 0.011 0.000 0.279 3 T C 0.789 175.503 174.700 0.023 0.000 0.984 3 T CA -1.498 60.618 62.100 0.026 0.000 0.988 3 T CB 2.012 70.900 68.868 0.033 0.000 1.040 3 T HN -0.447 7.834 8.240 0.067 0.000 0.528 4 L N 1.648 122.876 121.223 0.008 0.000 2.127 4 L HA -0.268 4.065 4.340 -0.011 0.000 0.211 4 L C 1.377 178.250 176.870 0.006 0.000 1.089 4 L CA 3.367 58.206 54.840 -0.003 0.000 0.757 4 L CB -0.022 42.031 42.059 -0.011 0.000 0.899 4 L HN -0.185 8.047 8.230 0.004 0.000 0.434 5 I N -3.403 117.179 120.570 0.020 0.000 2.286 5 I HA -0.486 3.695 4.170 0.020 0.000 0.245 5 I C 1.963 178.110 176.117 0.051 0.000 1.104 5 I CA 3.401 64.719 61.300 0.030 0.000 1.397 5 I CB -0.559 37.462 38.000 0.036 0.000 1.072 5 I HN -0.342 7.858 8.210 0.022 0.023 0.417 6 Q N -0.106 119.739 119.800 0.076 0.000 2.079 6 Q HA -0.237 4.194 4.340 0.152 0.000 0.200 6 Q C 2.834 178.883 176.000 0.081 0.000 0.974 6 Q CA 2.873 58.753 55.803 0.129 0.000 0.840 6 Q CB -0.483 28.368 28.738 0.189 0.000 0.898 6 Q HN -0.585 7.649 8.270 0.069 0.078 0.430 7 G N -1.727 107.092 108.800 0.032 0.000 2.422 7 G HA2 -0.334 3.580 3.960 -0.076 0.000 0.218 7 G HA3 -0.334 3.602 3.960 -0.040 0.000 0.218 7 G C 0.890 175.739 174.900 -0.085 0.000 1.140 7 G CA 1.641 46.715 45.100 -0.043 0.000 0.775 7 G HN 0.337 8.650 8.290 0.040 0.000 0.545 8 K N 0.911 121.286 120.400 -0.042 0.000 2.097 8 K HA -0.305 3.974 4.320 -0.069 0.000 0.206 8 K C 2.295 178.864 176.600 -0.052 0.000 1.049 8 K CA 3.471 59.730 56.287 -0.048 0.000 0.933 8 K CB -0.088 32.401 32.500 -0.018 0.000 0.717 8 K HN -0.452 7.680 8.250 -0.013 0.110 0.442 9 K N -0.914 119.480 120.400 -0.010 0.000 2.103 9 K HA -0.235 4.105 4.320 0.033 0.000 0.204 9 K C 2.314 178.884 176.600 -0.050 0.000 1.052 9 K CA 2.892 59.200 56.287 0.036 0.000 0.945 9 K CB -0.153 32.434 32.500 0.145 0.000 0.722 9 K HN -0.805 7.345 8.250 0.014 0.109 0.443 10 I N 0.010 120.459 120.570 -0.201 0.000 2.163 10 I HA -0.353 3.400 4.170 -0.695 0.000 0.243 10 I C 2.211 177.782 176.117 -0.909 0.000 1.085 10 I CA 3.820 64.736 61.300 -0.640 0.000 1.347 10 I CB -0.067 37.620 38.000 -0.521 0.000 1.044 10 I HN -0.181 7.846 8.210 -0.123 0.109 0.408 11 V N -3.289 116.351 119.914 -0.457 0.000 2.490 11 V HA -0.477 3.398 4.120 -0.408 0.000 0.250 11 V C 1.560 177.478 176.094 -0.292 0.000 1.061 11 V CA 4.468 66.555 62.300 -0.356 0.000 1.064 11 V CB -0.725 30.976 31.823 -0.204 0.000 0.670 11 V HN 0.410 8.414 8.190 -0.310 0.000 0.461 12 N N -0.575 117.999 118.700 -0.211 0.000 2.084 12 N HA -0.349 4.346 4.740 -0.075 0.000 0.190 12 N C 1.996 177.474 175.510 -0.053 0.000 1.030 12 N CA 3.011 56.006 53.050 -0.092 0.000 0.849 12 N CB -0.163 38.312 38.487 -0.019 0.000 1.012 12 N HN -0.658 7.486 8.380 -0.202 0.115 0.423 13 H N -1.305 117.752 119.070 -0.021 0.000 2.395 13 H HA -0.105 4.471 4.556 0.033 0.000 0.299 13 H C 2.777 178.088 175.328 -0.029 0.000 1.070 13 H CA 2.673 58.728 56.048 0.011 0.000 1.356 13 H CB 0.201 30.021 29.762 0.097 0.000 1.401 13 H HN -0.335 7.844 8.280 -0.168 0.000 0.524 14 L N 0.711 121.728 121.223 -0.342 0.000 2.141 14 L HA -0.241 4.141 4.340 0.070 0.000 0.209 14 L C 2.030 178.848 176.870 -0.087 0.000 1.094 14 L CA 2.297 57.041 54.840 -0.160 0.000 0.763 14 L CB -0.434 41.419 42.059 -0.344 0.000 0.908 14 L HN 0.251 7.874 8.230 -0.888 0.074 0.437 15 R N -1.407 119.031 120.500 -0.103 0.000 2.170 15 R HA -0.317 3.982 4.340 -0.069 0.000 0.242 15 R C 0.243 176.528 176.300 -0.024 0.000 1.145 15 R CA 2.776 58.840 56.100 -0.061 0.000 0.984 15 R CB 0.077 30.343 30.300 -0.057 0.000 0.869 15 R HN 0.144 8.108 8.270 -0.153 0.214 0.455 16 S N -3.856 111.844 115.700 0.001 0.000 2.661 16 S HA 0.179 4.649 4.470 0.000 0.000 0.245 16 S C -1.320 173.295 174.600 0.025 0.000 1.117 16 S CA -0.268 57.940 58.200 0.013 0.000 1.091 16 S CB 0.859 64.073 63.200 0.022 0.000 0.887 16 S HN -0.713 7.460 8.310 0.013 0.145 0.491 17 R N -0.582 119.930 120.500 0.020 0.000 2.517 17 R HA 0.150 4.495 4.340 0.009 0.000 0.434 17 R C -2.358 173.928 176.300 -0.024 0.000 0.884 17 R CA -0.065 56.047 56.100 0.020 0.000 1.090 17 R CB 1.807 32.158 30.300 0.085 0.000 1.601 17 R HN -0.067 8.068 8.270 0.004 0.138 0.579 18 L N -1.143 120.060 121.223 -0.034 0.000 2.406 18 L HA 0.377 4.665 4.340 -0.087 0.000 0.272 18 L C -2.688 174.170 176.870 -0.019 0.000 0.980 18 L CA -0.471 54.340 54.840 -0.050 0.000 0.831 18 L CB 4.057 46.087 42.059 -0.048 0.000 1.253 18 L HN -0.446 7.770 8.230 -0.022 0.000 0.406 19 A N 2.728 125.533 122.820 -0.026 0.000 2.609 19 A HA 0.663 5.067 4.320 0.043 -0.058 0.291 19 A C -2.521 175.089 177.584 0.043 0.000 1.096 19 A CA -1.142 50.878 52.037 -0.028 0.000 0.684 19 A CB 3.748 22.662 19.000 -0.144 0.000 1.282 19 A HN -0.045 8.067 8.150 -0.062 0.000 0.412 20 F N -4.994 114.927 119.950 -0.048 0.000 2.556 20 F HA 0.867 5.491 4.527 -0.069 -0.138 0.327 20 F C -1.372 174.406 175.800 -0.037 0.000 1.059 20 F CA -3.687 54.280 58.000 -0.056 0.000 0.953 20 F CB 2.856 41.819 39.000 -0.063 0.000 1.227 20 F HN 0.779 8.591 8.300 -0.646 0.101 0.478 21 E N 1.358 121.600 120.200 0.070 0.000 2.055 21 E HA 0.259 4.738 4.350 -0.045 -0.156 0.274 21 E C -1.547 175.076 176.600 0.038 0.000 0.949 21 E CA -1.019 55.384 56.400 0.005 0.000 0.775 21 E CB 1.731 31.435 29.700 0.006 0.000 1.097 21 E HN 0.874 9.165 8.360 0.111 0.136 0.404 22 Y N 7.647 127.896 120.300 -0.086 0.000 2.329 22 Y HA 0.168 4.616 4.550 -0.171 0.000 0.328 22 Y C -1.084 174.799 175.900 -0.028 0.000 0.992 22 Y CA -1.699 56.359 58.100 -0.070 0.000 1.151 22 Y CB 1.953 40.450 38.460 0.061 0.000 1.150 22 Y HN 0.060 8.381 8.280 0.069 0.000 0.450 23 N N 6.482 125.367 118.700 0.307 0.000 2.882 23 N HA -0.275 4.544 4.740 0.132 0.000 0.249 23 N C -0.065 175.476 175.510 0.051 0.000 1.079 23 N CA 0.397 53.504 53.050 0.095 0.000 0.800 23 N CB -0.315 38.128 38.487 -0.074 0.000 1.124 23 N HN 0.632 9.293 8.380 0.469 0.000 0.557 24 G N -5.966 102.871 108.800 0.062 0.000 2.225 24 G HA2 -0.381 3.600 3.960 0.034 0.000 0.254 24 G HA3 -0.381 3.594 3.960 0.025 0.000 0.254 24 G C -1.307 173.595 174.900 0.003 0.000 0.988 24 G CA 0.100 45.218 45.100 0.030 0.000 0.625 24 G HN 0.172 8.481 8.290 0.094 0.038 0.527 25 Q N -0.816 118.976 119.800 -0.014 0.000 2.235 25 Q HA 0.179 4.495 4.340 -0.040 0.000 0.256 25 Q C -0.997 174.951 176.000 -0.087 0.000 0.951 25 Q CA -1.729 54.045 55.803 -0.048 0.000 0.890 25 Q CB 1.689 30.389 28.738 -0.063 0.000 1.279 25 Q HN -0.731 7.445 8.270 -0.002 0.093 0.444 26 L N 2.857 124.015 121.223 -0.108 0.000 2.325 26 L HA 0.172 4.550 4.340 -0.176 -0.144 0.284 26 L C -0.014 176.690 176.870 -0.277 0.000 1.089 26 L CA 0.149 54.889 54.840 -0.167 0.000 0.836 26 L CB -0.101 41.890 42.059 -0.113 0.000 1.184 26 L HN 0.346 8.526 8.230 -0.083 0.000 0.444 27 I N 5.515 125.765 120.570 -0.534 0.000 2.301 27 I HA 0.100 4.008 4.170 -0.435 0.000 0.292 27 I C -0.993 174.664 176.117 -0.765 0.000 1.046 27 I CA -2.335 58.505 61.300 -0.767 0.000 1.282 27 I CB -1.265 35.959 38.000 -1.293 0.000 1.409 27 I HN 1.126 8.880 8.210 -0.592 0.101 0.484 28 K N 7.490 127.691 120.400 -0.332 0.000 2.258 28 K HA -0.001 4.236 4.320 -0.138 0.000 0.264 28 K C -0.137 176.453 176.600 -0.016 0.000 1.007 28 K CA 0.311 56.509 56.287 -0.149 0.000 0.941 28 K CB 1.122 33.573 32.500 -0.083 0.000 0.966 28 K HN 0.231 8.328 8.250 -0.254 0.000 0.480 29 I N 3.629 124.244 120.570 0.075 0.000 2.331 29 I HA -0.016 4.292 4.170 0.230 0.000 0.292 29 I C -0.364 175.786 176.117 0.055 0.000 0.998 29 I CA -0.466 60.917 61.300 0.138 0.000 1.267 29 I CB 0.524 38.601 38.000 0.130 0.000 1.386 29 I HN -0.380 7.854 8.210 0.040 0.000 0.476 30 L N 5.537 126.792 121.223 0.053 0.000 2.514 30 L HA -0.058 4.292 4.340 0.015 0.000 0.280 30 L C 1.623 178.496 176.870 0.005 0.000 1.223 30 L CA 0.463 55.316 54.840 0.022 0.000 0.864 30 L CB 0.280 42.352 42.059 0.023 0.000 1.118 30 L HN 0.338 8.617 8.230 0.082 0.000 0.494 31 S N 3.434 119.131 115.700 -0.004 0.000 2.469 31 S HA -0.320 4.137 4.470 -0.021 0.000 0.238 31 S C 1.169 175.759 174.600 -0.016 0.000 0.998 31 S CA 3.015 61.206 58.200 -0.014 0.000 0.957 31 S CB -0.201 62.991 63.200 -0.014 0.000 0.764 31 S HN 0.489 8.798 8.310 -0.001 0.000 0.514 32 K N -1.417 118.977 120.400 -0.010 0.000 2.525 32 K HA -0.177 4.135 4.320 -0.012 0.000 0.192 32 K C -0.586 176.005 176.600 -0.016 0.000 1.029 32 K CA 0.948 57.228 56.287 -0.011 0.000 1.029 32 K CB -0.368 32.129 32.500 -0.006 0.000 0.814 32 K HN -0.084 8.112 8.250 -0.004 0.051 0.503 33 N N -1.804 116.883 118.700 -0.020 0.000 2.538 33 N HA 0.165 4.886 4.740 -0.032 0.000 0.291 33 N C -1.659 173.818 175.510 -0.055 0.000 1.323 33 N CA -1.651 51.379 53.050 -0.034 0.000 0.934 33 N CB -0.047 38.422 38.487 -0.029 0.000 1.255 33 N HN -0.441 7.742 8.380 -0.017 0.187 0.509 34 I N -0.381 120.158 120.570 -0.051 0.000 2.478 34 I HA 0.317 4.432 4.170 -0.092 0.000 0.287 34 I C -1.362 174.721 176.117 -0.057 0.000 1.042 34 I CA -0.784 60.474 61.300 -0.069 0.000 1.067 34 I CB 2.255 40.215 38.000 -0.068 0.000 1.233 34 I HN -0.795 7.323 8.210 -0.038 0.069 0.431 35 V N 7.050 126.924 119.914 -0.066 0.000 2.789 35 V HA 0.320 4.425 4.120 -0.025 0.000 0.311 35 V C -1.646 174.414 176.094 -0.056 0.000 1.073 35 V CA -2.408 59.870 62.300 -0.037 0.000 0.921 35 V CB 3.372 35.196 31.823 0.002 0.000 1.009 35 V HN -0.041 8.093 8.190 -0.094 0.000 0.426 36 A N 4.064 126.857 122.820 -0.045 0.000 2.310 36 A HA 0.242 4.501 4.320 -0.102 0.000 0.299 36 A C -0.897 176.644 177.584 -0.071 0.000 1.147 36 A CA -0.804 51.190 52.037 -0.072 0.000 0.818 36 A CB 1.176 20.139 19.000 -0.061 0.000 1.096 36 A HN 0.242 8.378 8.150 -0.023 0.000 0.495 37 V N -2.297 117.533 119.914 -0.141 0.000 3.105 37 V HA 0.723 4.823 4.120 -0.032 0.000 0.311 37 V C 0.894 176.943 176.094 -0.075 0.000 1.282 37 V CA -3.190 59.026 62.300 -0.139 0.000 1.065 37 V CB 2.991 34.495 31.823 -0.531 0.000 1.136 37 V HN -0.508 7.580 8.190 -0.171 0.000 0.469 38 G N -1.593 107.240 108.800 0.056 0.000 2.578 38 G HA2 -0.427 3.583 3.960 0.084 0.000 0.284 38 G HA3 -0.427 3.559 3.960 0.044 0.000 0.284 38 G C 1.240 176.126 174.900 -0.023 0.000 1.283 38 G CA 1.399 46.528 45.100 0.048 0.000 0.944 38 G HN -0.640 7.850 8.290 0.200 -0.080 0.558 39 S N 1.027 116.709 115.700 -0.030 0.000 2.399 39 S HA -0.394 4.040 4.470 -0.059 0.000 0.231 39 S C 1.781 176.350 174.600 -0.051 0.000 1.022 39 S CA 4.147 62.319 58.200 -0.047 0.000 0.983 39 S CB -0.094 63.083 63.200 -0.039 0.000 0.803 39 S HN 0.328 8.628 8.310 -0.018 0.000 0.480 40 L N 0.061 121.254 121.223 -0.050 0.000 2.127 40 L HA -0.254 4.058 4.340 -0.047 0.000 0.211 40 L C 1.320 178.157 176.870 -0.055 0.000 1.089 40 L CA 2.610 57.418 54.840 -0.054 0.000 0.757 40 L CB -0.396 41.624 42.059 -0.065 0.000 0.899 40 L HN -0.020 8.164 8.230 -0.048 0.017 0.434 41 R N -2.624 117.841 120.500 -0.058 0.000 2.200 41 R HA -0.101 4.213 4.340 -0.045 0.000 0.208 41 R C 0.650 176.908 176.300 -0.069 0.000 1.033 41 R CA 0.985 57.053 56.100 -0.054 0.000 1.000 41 R CB 0.064 30.336 30.300 -0.047 0.000 0.906 41 R HN -0.643 7.456 8.270 -0.059 0.136 0.462 42 R N -1.231 119.219 120.500 -0.084 0.000 2.568 42 R HA 0.060 4.384 4.340 -0.122 -0.057 0.288 42 R C -0.300 175.954 176.300 -0.077 0.000 1.077 42 R CA -0.633 55.404 56.100 -0.105 0.000 1.102 42 R CB -0.353 29.868 30.300 -0.131 0.000 1.278 42 R HN -0.479 7.578 8.270 -0.075 0.168 0.560 43 E N -3.016 117.149 120.200 -0.058 0.000 2.450 43 E HA -0.414 3.915 4.350 -0.036 0.000 0.244 43 E C -1.101 175.474 176.600 -0.040 0.000 1.226 43 E CA 1.485 57.859 56.400 -0.043 0.000 0.720 43 E CB -1.946 27.731 29.700 -0.039 0.000 1.254 43 E HN -0.022 8.201 8.360 -0.056 0.103 0.399 44 E N -2.040 118.134 120.200 -0.045 0.000 2.438 44 E HA -0.200 4.125 4.350 -0.041 0.000 0.261 44 E C 0.443 177.027 176.600 -0.027 0.000 1.103 44 E CA 0.989 57.366 56.400 -0.039 0.000 0.959 44 E CB 0.659 30.334 29.700 -0.041 0.000 0.958 44 E HN -0.681 7.613 8.360 -0.051 0.036 0.447 45 K N 1.317 121.704 120.400 -0.023 0.000 1.963 45 K HA -0.258 4.054 4.320 -0.012 0.000 0.216 45 K C 0.159 176.752 176.600 -0.012 0.000 1.045 45 K CA 3.042 59.320 56.287 -0.015 0.000 0.954 45 K CB 0.635 33.127 32.500 -0.013 0.000 0.732 45 K HN 0.299 8.534 8.250 -0.025 0.000 0.442 46 M N -4.399 115.193 119.600 -0.014 0.000 2.578 46 M HA 0.057 4.532 4.480 -0.008 0.000 0.321 46 M C -1.004 175.285 176.300 -0.018 0.000 1.182 46 M CA -0.557 54.735 55.300 -0.012 0.000 0.965 46 M CB 1.950 34.544 32.600 -0.011 0.000 1.694 46 M HN -0.633 7.647 8.290 -0.016 0.000 0.461 47 L N -2.252 118.960 121.223 -0.019 0.000 2.381 47 L HA 0.559 4.884 4.340 -0.025 0.000 0.274 47 L C -1.164 175.690 176.870 -0.027 0.000 0.988 47 L CA -0.869 53.956 54.840 -0.024 0.000 0.824 47 L CB 1.965 44.007 42.059 -0.028 0.000 1.263 47 L HN -0.213 8.008 8.230 -0.016 0.000 0.410 48 N N 1.543 120.227 118.700 -0.026 0.000 2.250 48 N HA -0.181 4.542 4.740 -0.028 0.000 0.181 48 N C -0.770 174.720 175.510 -0.033 0.000 1.017 48 N CA 1.367 54.401 53.050 -0.026 0.000 0.866 48 N CB 0.402 38.878 38.487 -0.017 0.000 0.985 48 N HN 0.513 8.879 8.380 -0.024 0.000 0.429 49 D N -7.318 113.061 120.400 -0.035 0.000 2.581 49 D HA 0.113 4.719 4.640 -0.056 0.000 0.232 49 D C -1.048 175.223 176.300 -0.048 0.000 1.143 49 D CA -1.448 52.523 54.000 -0.047 0.000 0.881 49 D CB 2.092 42.863 40.800 -0.049 0.000 1.500 49 D HN -0.743 7.609 8.370 -0.030 0.000 0.458 50 V N 0.550 120.427 119.914 -0.061 0.000 2.304 50 V HA 0.210 4.288 4.120 -0.070 0.000 0.278 50 V C -1.216 174.829 176.094 -0.081 0.000 1.018 50 V CA -0.630 61.627 62.300 -0.072 0.000 0.814 50 V CB 0.730 32.506 31.823 -0.079 0.000 1.021 50 V HN 0.069 8.217 8.190 -0.070 0.000 0.440 51 D N 8.511 128.851 120.400 -0.099 0.000 2.280 51 D HA 0.247 4.994 4.640 -0.055 -0.140 0.243 51 D C -1.515 174.687 176.300 -0.164 0.000 1.129 51 D CA 0.610 54.530 54.000 -0.134 0.000 0.848 51 D CB 0.984 41.636 40.800 -0.246 0.000 1.107 51 D HN 0.320 8.631 8.370 -0.098 0.000 0.471 52 L N 3.201 124.390 121.223 -0.058 0.000 2.329 52 L HA 0.461 4.725 4.340 -0.126 0.000 0.279 52 L C -2.701 174.098 176.870 -0.119 0.000 1.014 52 L CA -1.579 53.206 54.840 -0.091 0.000 0.814 52 L CB 3.608 45.600 42.059 -0.112 0.000 1.257 52 L HN -0.139 8.094 8.230 0.005 0.000 0.424 53 L N 6.239 127.302 121.223 -0.267 0.000 2.272 53 L HA 0.698 4.264 4.340 -1.618 -0.197 0.289 53 L C -1.558 175.022 176.870 -0.483 0.000 1.032 53 L CA -1.648 52.740 54.840 -0.753 0.000 0.810 53 L CB 1.588 43.356 42.059 -0.486 0.000 1.205 53 L HN -0.443 7.678 8.230 -0.181 0.000 0.422 54 I N 6.308 126.564 120.570 -0.523 0.000 2.353 54 I HA 0.182 4.217 4.170 -0.225 0.000 0.293 54 I C -0.994 174.962 176.117 -0.269 0.000 0.992 54 I CA -0.885 60.234 61.300 -0.302 0.000 1.268 54 I CB 1.718 39.575 38.000 -0.237 0.000 1.387 54 I HN 0.512 8.281 8.210 -0.737 0.000 0.478 55 I N 5.811 126.274 120.570 -0.179 0.000 2.301 55 I HA 0.135 4.369 4.170 -0.144 -0.151 0.292 55 I C -0.403 175.631 176.117 -0.139 0.000 1.046 55 I CA -2.657 58.561 61.300 -0.136 0.000 1.282 55 I CB -1.569 36.381 38.000 -0.083 0.000 1.409 55 I HN -0.264 7.857 8.210 -0.148 0.000 0.484 56 V N 7.748 127.574 119.914 -0.146 0.000 2.334 56 V HA 0.255 4.237 4.120 -0.230 0.000 0.267 56 V C -0.859 175.176 176.094 -0.098 0.000 1.040 56 V CA -2.428 59.772 62.300 -0.166 0.000 0.866 56 V CB 0.846 32.566 31.823 -0.173 0.000 1.019 56 V HN -0.287 7.822 8.190 -0.134 0.000 0.468 57 P HA -0.150 4.261 4.420 -0.016 0.000 0.205 57 P C -0.174 177.121 177.300 -0.009 0.000 1.193 57 P CA 1.026 64.112 63.100 -0.023 0.000 0.929 57 P CB 0.240 31.945 31.700 0.008 0.000 0.772 58 E N -1.902 118.305 120.200 0.011 0.000 2.442 58 E HA -0.121 4.249 4.350 0.033 0.000 0.260 58 E C 0.768 177.371 176.600 0.006 0.000 1.148 58 E CA -0.199 56.219 56.400 0.031 0.000 0.976 58 E CB 0.956 30.708 29.700 0.086 0.000 0.967 58 E HN -0.032 8.339 8.360 0.020 0.000 0.454 59 K N 1.852 122.259 120.400 0.013 0.000 1.991 59 K HA -0.256 4.062 4.320 -0.004 0.000 0.207 59 K C 2.383 178.972 176.600 -0.018 0.000 1.045 59 K CA 3.175 59.462 56.287 -0.000 0.000 0.937 59 K CB -0.065 32.440 32.500 0.008 0.000 0.720 59 K HN 0.265 8.531 8.250 0.026 0.000 0.438 60 K N -0.466 119.923 120.400 -0.019 0.000 2.103 60 K HA -0.291 3.982 4.320 -0.078 0.000 0.207 60 K C 2.356 178.905 176.600 -0.086 0.000 1.048 60 K CA 2.981 59.225 56.287 -0.071 0.000 0.930 60 K CB -0.537 31.907 32.500 -0.093 0.000 0.716 60 K HN 0.134 8.386 8.250 0.003 0.000 0.444 61 L N -1.954 119.251 121.223 -0.031 0.000 2.187 61 L HA -0.310 4.025 4.340 -0.008 0.000 0.213 61 L C 1.474 178.282 176.870 -0.104 0.000 1.100 61 L CA 2.840 57.649 54.840 -0.051 0.000 0.765 61 L CB -0.367 41.657 42.059 -0.058 0.000 0.904 61 L HN 0.038 8.257 8.230 0.010 0.017 0.437 62 L N -1.780 119.392 121.223 -0.085 0.000 2.079 62 L HA -0.362 3.908 4.340 -0.117 0.000 0.210 62 L C 0.594 177.427 176.870 -0.062 0.000 1.081 62 L CA 3.416 58.206 54.840 -0.084 0.000 0.752 62 L CB 0.001 42.028 42.059 -0.054 0.000 0.896 62 L HN -0.234 7.803 8.230 -0.063 0.155 0.433 63 K N -9.067 111.306 120.400 -0.046 0.000 2.397 63 K HA 0.067 4.377 4.320 -0.016 0.000 0.202 63 K C -0.078 176.529 176.600 0.011 0.000 1.022 63 K CA 0.204 56.475 56.287 -0.026 0.000 1.141 63 K CB -0.609 31.870 32.500 -0.035 0.000 0.857 63 K HN -0.461 7.645 8.250 -0.057 0.110 0.514 64 H N -1.243 117.731 119.070 -0.161 0.000 2.501 64 H HA 0.165 4.616 4.556 -0.175 0.000 0.281 64 H C 1.032 176.252 175.328 -0.179 0.000 0.988 64 H CA 1.094 57.013 56.048 -0.216 0.000 1.232 64 H CB 2.994 32.523 29.762 -0.388 0.000 1.455 64 H HN -0.299 7.733 8.280 -0.006 0.245 0.501 65 V N -0.431 119.394 119.914 -0.148 0.000 2.307 65 V HA -0.408 3.614 4.120 -0.163 0.000 0.245 65 V C 1.243 177.286 176.094 -0.086 0.000 1.045 65 V CA 4.176 66.338 62.300 -0.230 0.000 1.024 65 V CB 0.077 31.587 31.823 -0.521 0.000 0.651 65 V HN 0.577 8.553 8.190 -0.149 0.125 0.449 66 L N -1.868 119.310 121.223 -0.074 0.000 2.012 66 L HA -0.194 4.126 4.340 -0.033 0.000 0.210 66 L C -0.239 176.639 176.870 0.012 0.000 1.073 66 L CA 4.729 59.553 54.840 -0.026 0.000 0.748 66 L CB -1.731 40.319 42.059 -0.014 0.000 0.891 66 L HN -0.670 7.503 8.230 -0.094 0.000 0.431 67 P HA -0.024 4.428 4.420 0.054 0.000 0.222 67 P C -0.512 176.814 177.300 0.044 0.000 1.153 67 P CA 1.181 64.307 63.100 0.043 0.000 0.798 67 P CB 0.154 31.884 31.700 0.051 0.000 0.796 68 N N -0.095 118.617 118.700 0.020 0.000 2.806 68 N HA 0.166 4.930 4.740 0.041 0.000 0.315 68 N C -2.308 173.237 175.510 0.059 0.000 1.738 68 N CA -1.174 51.889 53.050 0.021 0.000 0.993 68 N CB -0.245 38.207 38.487 -0.058 0.000 1.324 68 N HN -0.321 7.944 8.380 0.001 0.116 0.493 69 I N 1.227 121.829 120.570 0.053 0.000 2.390 69 I HA 0.360 4.730 4.170 0.075 -0.155 0.283 69 I C -1.132 174.948 176.117 -0.061 0.000 1.016 69 I CA -1.151 60.166 61.300 0.028 0.000 1.151 69 I CB 1.472 39.477 38.000 0.007 0.000 1.293 69 I HN -0.675 7.516 8.210 0.056 0.052 0.458 70 R N 8.157 128.605 120.500 -0.087 0.000 2.643 70 R HA 0.380 4.563 4.340 -0.261 0.000 0.272 70 R C -1.781 174.299 176.300 -0.367 0.000 0.995 70 R CA -1.842 54.145 56.100 -0.188 0.000 1.032 70 R CB 3.010 33.313 30.300 0.006 0.000 1.126 70 R HN -0.210 8.037 8.270 -0.038 0.000 0.505 71 I N 0.663 120.837 120.570 -0.661 0.000 2.433 71 I HA 0.263 4.390 4.170 -0.288 -0.129 0.292 71 I C -0.664 175.398 176.117 -0.091 0.000 1.001 71 I CA -1.175 59.861 61.300 -0.441 0.000 1.119 71 I CB 1.849 39.448 38.000 -0.668 0.000 1.289 71 I HN 0.165 7.814 8.210 -0.936 0.000 0.438 72 K N 7.129 127.510 120.400 -0.033 0.000 2.307 72 K HA 0.186 4.546 4.320 0.066 0.000 0.263 72 K C 0.016 176.640 176.600 0.040 0.000 0.973 72 K CA -0.717 55.587 56.287 0.028 0.000 0.846 72 K CB 1.409 33.915 32.500 0.009 0.000 1.100 72 K HN -0.013 8.203 8.250 -0.057 0.000 0.438 73 G N 2.818 111.653 108.800 0.059 0.000 2.254 73 G HA2 -0.354 3.627 3.960 0.034 0.000 0.225 73 G HA3 -0.354 3.627 3.960 0.034 0.000 0.225 73 G C -1.391 173.545 174.900 0.061 0.000 1.003 73 G CA 0.276 45.403 45.100 0.046 0.000 0.622 73 G HN 0.426 8.763 8.290 0.077 0.000 0.507 74 L N -0.491 120.793 121.223 0.102 0.000 2.354 74 L HA 0.155 4.569 4.340 0.123 0.000 0.269 74 L C -1.269 175.749 176.870 0.247 0.000 1.005 74 L CA -0.761 54.166 54.840 0.145 0.000 0.819 74 L CB 2.933 45.069 42.059 0.129 0.000 1.311 74 L HN -0.557 7.651 8.230 0.102 0.084 0.423 75 S N 2.600 118.438 115.700 0.230 0.000 2.474 75 S HA 0.129 4.748 4.470 0.248 0.000 0.276 75 S C -1.254 173.541 174.600 0.325 0.000 1.227 75 S CA 0.174 58.516 58.200 0.237 0.000 1.050 75 S CB 0.441 63.721 63.200 0.133 0.000 0.939 75 S HN -0.062 8.363 8.310 0.191 0.000 0.490 76 F N 3.102 123.106 119.950 0.089 0.000 2.593 76 F HA 0.533 5.243 4.527 0.126 -0.108 0.320 76 F C -1.468 174.396 175.800 0.107 0.000 1.060 76 F CA -2.941 55.121 58.000 0.103 0.000 0.940 76 F CB 3.067 42.118 39.000 0.084 0.000 1.268 76 F HN -0.068 8.340 8.300 0.180 0.000 0.475 77 S N 0.861 116.657 115.700 0.160 0.000 2.619 77 S HA 0.278 4.677 4.470 -0.118 0.000 0.280 77 S C -1.864 172.856 174.600 0.200 0.000 1.150 77 S CA -0.555 57.684 58.200 0.066 0.000 0.978 77 S CB 2.992 66.244 63.200 0.086 0.000 1.041 77 S HN 0.094 8.521 8.310 0.330 0.081 0.485 78 V N 6.102 126.100 119.914 0.140 0.000 2.432 78 V HA -0.092 4.162 4.120 0.224 0.000 0.275 78 V C -0.465 175.717 176.094 0.147 0.000 1.043 78 V CA -0.104 62.302 62.300 0.176 0.000 0.925 78 V CB 0.074 31.990 31.823 0.155 0.000 0.985 78 V HN 0.501 8.719 8.190 0.046 0.000 0.466 79 K N 8.807 129.322 120.400 0.192 0.000 2.353 79 K HA 0.235 4.615 4.320 0.100 0.000 0.206 79 K C 0.217 176.895 176.600 0.130 0.000 1.191 79 K CA 0.315 56.696 56.287 0.157 0.000 0.897 79 K CB 1.907 34.546 32.500 0.231 0.000 1.283 79 K HN 0.544 8.932 8.250 0.230 0.000 0.477 80 V N 1.435 121.437 119.914 0.147 0.000 2.320 80 V HA 0.166 4.340 4.120 0.089 0.000 0.268 80 V C -2.005 174.146 176.094 0.096 0.000 1.021 80 V CA -1.249 61.115 62.300 0.107 0.000 0.813 80 V CB 0.183 32.069 31.823 0.105 0.000 1.054 80 V HN -0.314 7.985 8.190 0.183 0.000 0.444 81 c N 5.949 124.601 118.600 0.087 0.000 2.355 81 c HA 0.196 4.816 4.570 0.083 0.000 0.332 81 c C -0.198 173.931 174.090 0.065 0.000 1.255 81 c CA 0.090 56.467 56.329 0.080 0.000 1.792 81 c CB 1.374 43.936 42.510 0.087 0.000 2.300 81 c HN 0.584 8.864 8.230 0.083 0.000 0.515 82 G N 3.621 112.457 108.800 0.061 0.000 3.267 82 G HA2 0.360 4.348 3.960 0.047 0.000 0.200 82 G HA3 0.360 4.351 3.960 0.051 0.000 0.200 82 G C -1.762 173.165 174.900 0.045 0.000 1.603 82 G CA 0.181 45.312 45.100 0.051 0.000 0.753 82 G HN 0.232 8.561 8.290 0.066 0.000 0.755 83 E N -0.504 119.722 120.200 0.042 0.000 2.564 83 E HA 0.064 4.431 4.350 0.028 0.000 0.203 83 E C 1.816 178.435 176.600 0.032 0.000 0.867 83 E CA 0.950 57.369 56.400 0.032 0.000 1.250 83 E CB 1.133 30.848 29.700 0.025 0.000 1.215 83 E HN 0.149 8.537 8.360 0.047 0.000 0.566 84 R N -2.686 117.844 120.500 0.050 0.000 2.254 84 R HA 0.077 4.442 4.340 0.043 0.000 0.193 84 R C -1.089 175.289 176.300 0.129 0.000 0.929 84 R CA 1.109 57.251 56.100 0.071 0.000 1.038 84 R CB 1.299 31.643 30.300 0.075 0.000 1.009 84 R HN -0.024 8.277 8.270 0.053 0.000 0.512 85 K N -2.207 118.265 120.400 0.119 0.000 2.443 85 K HA 0.510 5.074 4.320 0.222 -0.112 0.252 85 K C -2.033 174.631 176.600 0.107 0.000 0.933 85 K CA -1.334 55.044 56.287 0.153 0.000 0.792 85 K CB 2.611 35.192 32.500 0.136 0.000 1.185 85 K HN -0.597 7.705 8.250 0.087 0.000 0.425 86 c N 3.145 121.811 118.600 0.110 0.000 2.482 86 c HA 0.514 5.278 4.570 0.084 -0.143 0.317 86 c C -2.089 172.049 174.090 0.079 0.000 1.197 86 c CA -0.749 55.633 56.329 0.088 0.000 1.432 86 c CB 3.286 45.842 42.510 0.078 0.000 2.062 86 c HN 1.057 9.262 8.230 0.138 0.108 0.471 87 V N 5.336 125.298 119.914 0.080 0.000 2.347 87 V HA 0.552 4.823 4.120 -0.001 -0.152 0.280 87 V C -1.568 174.585 176.094 0.099 0.000 1.021 87 V CA -1.440 60.891 62.300 0.052 0.000 0.847 87 V CB 0.473 32.338 31.823 0.070 0.000 0.990 87 V HN 1.162 9.266 8.190 0.093 0.141 0.444 88 L N 2.410 123.655 121.223 0.036 0.000 2.455 88 L HA 0.861 5.488 4.340 0.317 -0.097 0.264 88 L C -2.086 174.825 176.870 0.068 0.000 0.968 88 L CA -0.819 54.123 54.840 0.170 0.000 0.827 88 L CB 3.902 46.094 42.059 0.221 0.000 1.317 88 L HN -0.228 7.965 8.230 -0.061 0.000 0.407 89 F N 1.208 121.228 119.950 0.117 0.000 2.405 89 F HA 0.285 4.881 4.527 0.115 0.000 0.355 89 F C -0.019 175.873 175.800 0.153 0.000 1.121 89 F CA -0.819 57.252 58.000 0.117 0.000 1.112 89 F CB 1.124 40.176 39.000 0.087 0.000 1.126 89 F HN 0.239 8.954 8.300 0.691 0.000 0.481 90 I N -2.322 118.428 120.570 0.299 0.000 2.474 90 I HA 0.729 5.180 4.170 0.304 -0.100 0.294 90 I C -1.940 174.363 176.117 0.309 0.000 1.005 90 I CA -1.894 59.581 61.300 0.291 0.000 1.113 90 I CB 3.591 41.739 38.000 0.248 0.000 1.289 90 I HN 0.670 9.019 8.210 0.231 0.000 0.436 91 E N 7.191 127.564 120.200 0.288 0.000 2.151 91 E HA 0.641 5.350 4.350 0.445 -0.092 0.275 91 E C -1.826 174.959 176.600 0.308 0.000 0.936 91 E CA -1.629 54.966 56.400 0.324 0.000 0.777 91 E CB 2.948 32.791 29.700 0.238 0.000 1.108 91 E HN 0.649 9.064 8.360 0.252 0.097 0.401 92 W N 6.101 127.396 121.300 -0.010 0.000 2.883 92 W HA 0.553 5.149 4.660 -0.105 0.000 0.335 92 W C -1.104 175.335 176.519 -0.133 0.000 1.083 92 W CA -2.165 55.078 57.345 -0.170 0.000 1.233 92 W CB 2.875 32.103 29.460 -0.387 0.000 1.412 92 W HN 0.573 9.081 8.180 0.546 0.000 0.490 93 E N 4.420 124.365 120.200 -0.426 0.000 2.694 93 E HA -0.444 3.660 4.350 -0.410 0.000 0.272 93 E C -0.814 175.688 176.600 -0.164 0.000 1.040 93 E CA 0.959 57.075 56.400 -0.474 0.000 0.809 93 E CB -2.172 27.013 29.700 -0.858 0.000 1.389 93 E HN 0.457 8.647 8.360 -0.284 0.000 0.413 94 K N -6.476 113.897 120.400 -0.045 0.000 3.339 94 K HA -0.478 4.002 4.320 0.034 -0.140 0.299 94 K C -1.352 175.308 176.600 0.100 0.000 1.270 94 K CA 1.080 57.381 56.287 0.023 0.000 0.875 94 K CB -0.728 31.766 32.500 -0.009 0.000 1.298 94 K HN 0.173 8.377 8.250 -0.038 0.023 0.485 95 K N -2.339 118.186 120.400 0.209 0.000 2.482 95 K HA 0.289 4.737 4.320 0.214 0.000 0.257 95 K C -1.978 174.911 176.600 0.481 0.000 0.969 95 K CA -1.507 54.981 56.287 0.335 0.000 0.842 95 K CB 4.320 37.102 32.500 0.469 0.000 1.359 95 K HN -0.771 7.454 8.250 0.204 0.148 0.441 96 T N 0.423 115.196 114.554 0.364 0.000 2.767 96 T HA 0.122 4.733 4.350 0.434 0.000 0.284 96 T C -1.000 173.911 174.700 0.353 0.000 0.973 96 T CA -0.482 61.842 62.100 0.373 0.000 0.996 96 T CB 0.438 69.442 68.868 0.226 0.000 0.927 96 T HN 0.051 8.428 8.240 0.228 0.000 0.456 97 Y N 4.300 124.700 120.300 0.166 0.000 2.350 97 Y HA 0.161 4.760 4.550 0.081 0.000 0.338 97 Y C -1.212 174.711 175.900 0.038 0.000 0.961 97 Y CA -1.195 56.953 58.100 0.080 0.000 1.100 97 Y CB 3.043 41.496 38.460 -0.011 0.000 1.179 97 Y HN 1.146 9.628 8.280 0.558 0.133 0.454 98 Q N 4.048 123.889 119.800 0.070 0.000 2.297 98 Q HA -0.025 4.183 4.340 -0.220 0.000 0.267 98 Q C -1.678 174.253 176.000 -0.115 0.000 1.006 98 Q CA 0.723 56.453 55.803 -0.121 0.000 0.896 98 Q CB 0.739 29.368 28.738 -0.182 0.000 1.186 98 Q HN 0.504 8.791 8.270 0.028 0.000 0.392 99 L N 8.092 129.214 121.223 -0.168 0.000 2.446 99 L HA 0.438 4.723 4.340 -0.092 0.000 0.268 99 L C -2.743 174.059 176.870 -0.114 0.000 0.975 99 L CA -0.196 54.582 54.840 -0.103 0.000 0.848 99 L CB 3.762 45.796 42.059 -0.042 0.000 1.225 99 L HN -0.265 7.804 8.230 -0.268 0.000 0.410 100 D N 7.199 127.550 120.400 -0.082 0.000 2.280 100 D HA 0.410 5.026 4.640 -0.040 0.000 0.236 100 D C -1.658 174.671 176.300 0.048 0.000 1.082 100 D CA -0.216 53.769 54.000 -0.026 0.000 0.834 100 D CB 2.961 43.754 40.800 -0.012 0.000 1.100 100 D HN -0.302 8.022 8.370 -0.077 0.000 0.486 101 L N 2.007 123.269 121.223 0.064 0.000 2.296 101 L HA 0.693 5.068 4.340 0.058 0.000 0.286 101 L C -2.308 174.662 176.870 0.166 0.000 1.023 101 L CA -1.265 53.617 54.840 0.071 0.000 0.812 101 L CB 1.368 43.430 42.059 0.004 0.000 1.223 101 L HN 0.302 8.561 8.230 0.049 0.000 0.421 102 F N 2.841 122.786 119.950 -0.009 0.000 2.547 102 F HA 0.987 5.661 4.527 0.029 -0.129 0.316 102 F C -1.872 173.936 175.800 0.012 0.000 1.121 102 F CA -2.649 55.371 58.000 0.033 0.000 0.911 102 F CB 3.606 42.681 39.000 0.125 0.000 1.179 102 F HN 0.261 8.624 8.300 0.105 0.000 0.443 103 T N 2.042 116.493 114.554 -0.171 0.000 2.902 103 T HA 0.641 4.892 4.350 -0.460 -0.177 0.283 103 T C -0.542 174.064 174.700 -0.156 0.000 1.009 103 T CA -3.090 58.844 62.100 -0.276 0.000 1.051 103 T CB 1.520 70.293 68.868 -0.158 0.000 0.999 103 T HN 0.578 8.733 8.240 0.036 0.106 0.474 104 A N 3.607 126.315 122.820 -0.187 0.000 2.449 104 A HA 0.350 4.660 4.320 -0.017 0.000 0.302 104 A C -2.614 174.931 177.584 -0.064 0.000 1.048 104 A CA -1.847 50.155 52.037 -0.060 0.000 0.708 104 A CB 2.841 21.859 19.000 0.030 0.000 1.274 104 A HN 0.478 8.475 8.150 -0.255 0.000 0.410 105 L N 0.926 122.124 121.223 -0.042 0.000 2.479 105 L HA -0.142 4.176 4.340 -0.036 0.000 0.270 105 L C 1.734 178.602 176.870 -0.003 0.000 1.236 105 L CA 0.417 55.243 54.840 -0.024 0.000 0.823 105 L CB 0.373 42.430 42.059 -0.003 0.000 1.098 105 L HN 0.113 8.467 8.230 -0.050 -0.155 0.500 106 A N 0.494 123.315 122.820 0.002 0.000 2.032 106 A HA -0.394 3.927 4.320 0.002 0.000 0.221 106 A C 0.510 178.122 177.584 0.047 0.000 1.165 106 A CA 3.019 55.065 52.037 0.014 0.000 0.645 106 A CB -0.090 18.916 19.000 0.011 0.000 0.807 106 A HN 0.757 8.905 8.150 -0.004 0.000 0.453 107 E N -3.653 116.585 120.200 0.064 0.000 2.076 107 E HA -0.214 4.204 4.350 0.114 0.000 0.190 107 E C 0.934 177.634 176.600 0.168 0.000 0.979 107 E CA 2.646 59.111 56.400 0.108 0.000 0.807 107 E CB 0.243 30.002 29.700 0.099 0.000 0.761 107 E HN 0.198 8.551 8.360 0.049 0.036 0.454 108 E N -2.764 117.505 120.200 0.115 0.000 2.479 108 E HA -0.032 4.455 4.350 0.227 0.000 0.193 108 E C 1.697 178.392 176.600 0.157 0.000 1.049 108 E CA 0.793 57.275 56.400 0.137 0.000 0.870 108 E CB -0.467 29.238 29.700 0.007 0.000 0.944 108 E HN -0.595 7.720 8.360 0.065 0.084 0.492 109 K N 2.182 122.644 120.400 0.104 0.000 2.009 109 K HA -0.184 4.167 4.320 0.052 0.000 0.210 109 K C -0.460 176.206 176.600 0.109 0.000 1.049 109 K CA 4.402 60.732 56.287 0.071 0.000 0.929 109 K CB -2.095 30.416 32.500 0.017 0.000 0.714 109 K HN -0.001 8.124 8.250 0.086 0.176 0.440 110 P HA 0.018 4.473 4.420 0.060 0.000 0.216 110 P C 1.769 179.121 177.300 0.086 0.000 1.156 110 P CA 2.471 65.596 63.100 0.042 0.000 0.855 110 P CB -0.200 31.452 31.700 -0.080 0.000 0.786 111 Y N -1.831 118.530 120.300 0.102 0.000 2.163 111 Y HA -0.430 4.182 4.550 0.103 0.000 0.288 111 Y C 2.169 178.179 175.900 0.183 0.000 1.136 111 Y CA 4.205 62.367 58.100 0.103 0.000 1.147 111 Y CB -0.857 37.617 38.460 0.022 0.000 0.987 111 Y HN -0.582 7.845 8.280 0.245 0.000 0.509 112 A N -1.624 121.397 122.820 0.335 0.000 1.877 112 A HA -0.215 4.287 4.320 0.305 0.000 0.216 112 A C 0.829 178.809 177.584 0.661 0.000 1.186 112 A CA 2.453 54.754 52.037 0.440 0.000 0.620 112 A CB -0.315 18.941 19.000 0.426 0.000 0.822 112 A HN 0.277 8.475 8.150 0.305 0.135 0.443 113 I N -4.999 115.877 120.570 0.510 0.000 2.226 113 I HA -0.434 4.058 4.170 0.536 0.000 0.245 113 I C 1.198 177.567 176.117 0.421 0.000 1.100 113 I CA 2.703 64.270 61.300 0.445 0.000 1.374 113 I CB -0.311 37.840 38.000 0.250 0.000 1.057 113 I HN -0.976 7.470 8.210 0.394 0.000 0.413 114 F N 1.441 121.553 119.950 0.270 0.000 2.075 114 F HA -0.417 4.236 4.527 0.210 0.000 0.297 114 F C 0.675 176.671 175.800 0.326 0.000 1.113 114 F CA 3.781 61.929 58.000 0.248 0.000 1.218 114 F CB 0.923 40.032 39.000 0.183 0.000 0.984 114 F HN -0.722 7.882 8.300 0.507 0.000 0.472 115 H N -3.005 116.308 119.070 0.404 0.000 2.607 115 H HA -0.109 4.496 4.556 0.082 0.000 0.288 115 H C -0.613 174.776 175.328 0.101 0.000 1.058 115 H CA -0.699 55.476 56.048 0.212 0.000 1.178 115 H CB -0.397 29.527 29.762 0.269 0.000 1.340 115 H HN 0.165 8.807 8.280 0.783 0.108 0.591 116 F N 0.349 120.333 119.950 0.056 0.000 2.274 116 F HA -0.054 4.326 4.527 -0.244 0.000 0.288 116 F C 0.602 176.312 175.800 -0.151 0.000 1.069 116 F CA 2.053 59.992 58.000 -0.100 0.000 1.343 116 F CB 1.645 40.643 39.000 -0.003 0.000 1.089 116 F HN -0.549 7.747 8.300 0.387 0.236 0.517 117 T N -0.956 113.708 114.554 0.183 0.000 2.777 117 T HA -0.259 4.231 4.350 0.108 -0.074 0.266 117 T C 1.438 176.108 174.700 -0.050 0.000 1.040 117 T CA 4.026 66.151 62.100 0.043 0.000 1.141 117 T CB 0.753 69.585 68.868 -0.059 0.000 0.868 117 T HN -0.757 7.596 8.240 0.187 0.000 0.444 118 G N 1.323 110.086 108.800 -0.062 0.000 2.629 118 G HA2 -0.372 3.663 3.960 0.124 0.000 0.313 118 G HA3 -0.372 3.570 3.960 -0.031 0.000 0.313 118 G C -2.369 172.550 174.900 0.032 0.000 1.217 118 G CA 0.296 45.410 45.100 0.023 0.000 0.994 118 G HN -0.613 7.627 8.290 -0.083 0.000 0.549 119 P HA 0.126 4.620 4.420 -0.050 -0.104 0.342 119 P C 0.979 178.284 177.300 0.009 0.000 1.369 119 P CA -0.993 62.101 63.100 -0.010 0.000 0.800 119 P CB 1.209 32.895 31.700 -0.024 0.000 1.884 120 V N 0.435 120.334 119.914 -0.025 0.000 2.295 120 V HA -0.392 3.696 4.120 -0.054 0.000 0.246 120 V C 2.561 178.652 176.094 -0.005 0.000 1.049 120 V CA 4.146 66.426 62.300 -0.033 0.000 1.024 120 V CB -0.643 31.154 31.823 -0.044 0.000 0.648 120 V HN 0.248 8.416 8.190 -0.037 0.000 0.447 121 S N -1.353 114.358 115.700 0.018 0.000 2.382 121 S HA -0.278 4.199 4.470 0.011 0.000 0.228 121 S C 1.736 176.375 174.600 0.065 0.000 1.027 121 S CA 3.458 61.677 58.200 0.033 0.000 0.991 121 S CB -0.376 62.847 63.200 0.039 0.000 0.823 121 S HN 0.199 8.517 8.310 0.013 0.000 0.469 122 Y N 1.640 121.918 120.300 -0.038 0.000 2.263 122 Y HA -0.227 4.319 4.550 -0.006 0.000 0.292 122 Y C 1.048 176.926 175.900 -0.036 0.000 1.130 122 Y CA 2.530 60.610 58.100 -0.033 0.000 1.179 122 Y CB -0.316 38.107 38.460 -0.061 0.000 0.998 122 Y HN -0.277 8.097 8.280 0.174 0.011 0.532 123 L N -0.745 120.440 121.223 -0.064 0.000 2.056 123 L HA -0.427 3.800 4.340 -0.187 0.000 0.207 123 L C 1.981 178.775 176.870 -0.128 0.000 1.078 123 L CA 3.295 58.064 54.840 -0.119 0.000 0.749 123 L CB -0.120 41.912 42.059 -0.045 0.000 0.901 123 L HN 0.178 8.251 8.230 0.047 0.185 0.433 124 I N -1.375 119.144 120.570 -0.083 0.000 2.286 124 I HA -0.544 3.590 4.170 -0.061 0.000 0.248 124 I C 1.517 177.584 176.117 -0.084 0.000 1.115 124 I CA 3.538 64.797 61.300 -0.067 0.000 1.392 124 I CB -0.092 37.884 38.000 -0.039 0.000 1.065 124 I HN 0.512 8.579 8.210 -0.057 0.110 0.418 125 R N -0.471 119.966 120.500 -0.104 0.000 2.090 125 R HA -0.274 4.041 4.340 -0.043 0.000 0.228 125 R C 2.371 178.567 176.300 -0.174 0.000 1.110 125 R CA 3.403 59.448 56.100 -0.091 0.000 0.973 125 R CB -0.186 30.086 30.300 -0.046 0.000 0.869 125 R HN -0.726 7.468 8.270 -0.105 0.013 0.440 126 I N -0.543 119.822 120.570 -0.342 0.000 2.163 126 I HA -0.427 3.246 4.170 -0.829 0.000 0.243 126 I C 1.952 177.842 176.117 -0.378 0.000 1.085 126 I CA 2.919 63.888 61.300 -0.551 0.000 1.347 126 I CB -0.700 36.986 38.000 -0.523 0.000 1.044 126 I HN -0.311 7.597 8.210 -0.361 0.086 0.408 127 R N -1.780 118.603 120.500 -0.195 0.000 2.120 127 R HA -0.326 3.959 4.340 -0.092 0.000 0.234 127 R C 2.531 178.795 176.300 -0.060 0.000 1.123 127 R CA 3.463 59.503 56.100 -0.100 0.000 0.975 127 R CB -0.431 29.834 30.300 -0.058 0.000 0.866 127 R HN -0.390 7.775 8.270 -0.176 0.000 0.446 128 A N -0.568 122.218 122.820 -0.056 0.000 1.865 128 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 128 A C 1.838 179.441 177.584 0.032 0.000 1.191 128 A CA 3.003 55.037 52.037 -0.006 0.000 0.623 128 A CB -1.004 17.999 19.000 0.004 0.000 0.826 128 A HN -0.578 7.398 8.150 -0.083 0.124 0.444 129 A N -2.610 120.244 122.820 0.057 0.000 1.933 129 A HA -0.218 4.198 4.320 0.161 0.000 0.218 129 A C 1.950 179.625 177.584 0.152 0.000 1.175 129 A CA 2.609 54.750 52.037 0.173 0.000 0.628 129 A CB -0.547 18.727 19.000 0.456 0.000 0.814 129 A HN -0.696 7.460 8.150 0.009 0.000 0.444 130 L N -3.775 117.490 121.223 0.071 0.000 2.179 130 L HA -0.244 4.205 4.340 0.180 0.000 0.208 130 L C 2.463 179.394 176.870 0.102 0.000 1.096 130 L CA 1.965 56.872 54.840 0.112 0.000 0.779 130 L CB -0.303 41.798 42.059 0.070 0.000 0.922 130 L HN -0.691 7.431 8.230 -0.025 0.093 0.443 131 K N 0.142 120.575 120.400 0.055 0.000 2.209 131 K HA -0.301 4.039 4.320 0.034 0.000 0.204 131 K C 1.793 178.413 176.600 0.034 0.000 1.048 131 K CA 2.776 59.084 56.287 0.036 0.000 0.940 131 K CB -0.367 32.143 32.500 0.017 0.000 0.729 131 K HN 0.457 8.528 8.250 0.035 0.200 0.451 132 K N -3.509 116.922 120.400 0.051 0.000 2.283 132 K HA -0.173 4.166 4.320 0.031 0.000 0.202 132 K C 1.307 177.931 176.600 0.039 0.000 1.048 132 K CA 2.123 58.438 56.287 0.046 0.000 0.948 132 K CB 0.145 32.683 32.500 0.063 0.000 0.742 132 K HN -0.638 7.516 8.250 0.066 0.135 0.458 133 K N -3.995 116.438 120.400 0.054 0.000 2.373 133 K HA 0.021 4.348 4.320 0.012 0.000 0.200 133 K C -0.999 175.562 176.600 -0.064 0.000 1.054 133 K CA -0.294 56.011 56.287 0.029 0.000 1.065 133 K CB 1.205 33.773 32.500 0.113 0.000 0.886 133 K HN -0.409 7.715 8.250 0.078 0.173 0.546 134 N N -4.226 114.452 118.700 -0.036 0.000 2.858 134 N HA -0.385 4.336 4.740 -0.032 0.000 0.247 134 N C -2.388 173.035 175.510 -0.146 0.000 1.092 134 N CA 0.956 53.952 53.050 -0.091 0.000 0.675 134 N CB -2.519 35.880 38.487 -0.146 0.000 0.959 134 N HN -0.001 8.247 8.380 0.017 0.143 0.558 135 Y N -2.191 118.132 120.300 0.037 0.000 2.442 135 Y HA 0.677 5.457 4.550 0.060 -0.194 0.344 135 Y C -1.620 174.306 175.900 0.044 0.000 0.976 135 Y CA -1.723 56.407 58.100 0.050 0.000 1.040 135 Y CB 4.587 43.081 38.460 0.056 0.000 1.228 135 Y HN -0.334 7.912 8.280 0.143 0.119 0.451 136 K N 1.710 122.293 120.400 0.305 0.000 2.435 136 K HA 0.356 4.733 4.320 0.095 0.000 0.251 136 K C -2.795 173.884 176.600 0.132 0.000 0.954 136 K CA -2.310 54.065 56.287 0.148 0.000 0.820 136 K CB 3.692 36.233 32.500 0.069 0.000 1.292 136 K HN 0.924 9.319 8.250 0.433 0.115 0.436 137 L N -1.117 120.143 121.223 0.061 0.000 2.445 137 L HA 1.087 5.619 4.340 -0.054 -0.225 0.262 137 L C -1.984 174.895 176.870 0.015 0.000 0.974 137 L CA -1.351 53.519 54.840 0.049 0.000 0.822 137 L CB 3.773 45.984 42.059 0.255 0.000 1.339 137 L HN 0.172 8.429 8.230 0.045 0.000 0.409 138 N N -2.220 116.399 118.700 -0.134 0.000 4.526 138 N HA -0.014 4.286 4.740 -0.734 0.000 0.186 138 N C -1.094 174.171 175.510 -0.408 0.000 1.053 138 N CA 0.166 52.949 53.050 -0.444 0.000 1.091 138 N CB 1.733 40.092 38.487 -0.215 0.000 1.605 138 N HN -0.213 8.035 8.380 -0.220 0.000 0.717 139 Q N 4.330 123.737 119.800 -0.656 0.000 2.287 139 Q HA -0.394 3.910 4.340 -0.061 0.000 0.333 139 Q C -1.749 174.152 176.000 -0.165 0.000 1.157 139 Q CA 1.893 57.562 55.803 -0.224 0.000 1.112 139 Q CB -1.575 27.101 28.738 -0.104 0.000 1.268 139 Q HN 0.628 8.036 8.270 -1.436 0.000 0.294 140 Y N -2.103 118.188 120.300 -0.015 0.000 2.907 140 Y HA -0.153 4.432 4.550 0.058 0.000 0.343 140 Y C -1.177 174.694 175.900 -0.049 0.000 0.889 140 Y CA 0.220 58.355 58.100 0.059 0.000 0.869 140 Y CB 1.358 39.959 38.460 0.233 0.000 1.354 140 Y HN 0.187 8.481 8.280 0.024 0.000 0.522 141 G N -3.299 105.399 108.800 -0.169 0.000 2.293 141 G HA2 -0.140 3.002 3.960 -1.363 0.000 0.282 141 G HA3 -0.140 3.611 3.960 -0.350 0.000 0.282 141 G C -2.875 171.529 174.900 -0.826 0.000 1.299 141 G CA -0.442 44.216 45.100 -0.737 0.000 1.018 141 G HN -0.911 7.254 8.290 -0.208 0.000 0.478 142 L N 0.373 121.261 121.223 -0.559 0.000 2.264 142 L HA 0.918 5.381 4.340 -0.128 -0.199 0.289 142 L C -1.522 175.359 176.870 0.018 0.000 1.044 142 L CA -1.263 53.466 54.840 -0.184 0.000 0.807 142 L CB 1.385 43.343 42.059 -0.169 0.000 1.192 142 L HN 0.230 8.197 8.230 -0.439 0.000 0.425 143 F N 7.849 127.791 119.950 -0.012 0.000 2.422 143 F HA 0.294 4.998 4.527 0.021 -0.165 0.333 143 F C -0.986 174.920 175.800 0.176 0.000 1.095 143 F CA -1.445 56.584 58.000 0.048 0.000 1.038 143 F CB 3.164 42.156 39.000 -0.014 0.000 1.156 143 F HN 1.311 9.758 8.300 0.471 0.136 0.483 144 K N 1.958 122.485 120.400 0.212 0.000 2.339 144 K HA 0.433 4.934 4.320 -0.014 -0.190 0.264 144 K C -0.103 176.508 176.600 0.019 0.000 0.986 144 K CA -1.036 55.271 56.287 0.034 0.000 0.866 144 K CB 1.374 33.821 32.500 -0.090 0.000 1.103 144 K HN 0.132 8.450 8.250 0.113 0.000 0.441 145 N N 7.216 125.914 118.700 -0.003 0.000 3.967 145 N HA -0.419 4.313 4.740 -0.014 0.000 0.227 145 N C -0.174 175.361 175.510 0.041 0.000 0.226 145 N CA 3.084 56.135 53.050 0.000 0.000 3.007 145 N CB -0.958 37.517 38.487 -0.021 0.000 1.344 145 N HN 0.448 8.813 8.380 -0.024 0.000 0.315 146 Q N -1.346 118.493 119.800 0.065 0.000 1.936 146 Q HA 0.143 4.533 4.340 0.084 0.000 0.196 146 Q C -1.458 174.629 176.000 0.146 0.000 0.792 146 Q CA -0.072 55.781 55.803 0.083 0.000 0.972 146 Q CB 2.796 31.553 28.738 0.032 0.000 1.235 146 Q HN 0.034 8.309 8.270 0.052 0.026 0.419 147 T N 0.480 115.132 114.554 0.164 0.000 2.893 147 T HA 0.210 4.657 4.350 0.162 0.000 0.293 147 T C -1.828 172.833 174.700 -0.065 0.000 1.027 147 T CA -1.102 61.060 62.100 0.103 0.000 0.988 147 T CB 2.677 71.542 68.868 -0.004 0.000 1.043 147 T HN -0.436 7.884 8.240 0.132 0.000 0.461 148 L N 5.609 126.552 121.223 -0.467 0.000 2.638 148 L HA -0.069 2.772 4.340 -2.497 0.000 0.273 148 L C -1.059 175.446 176.870 -0.609 0.000 1.147 148 L CA 0.630 54.652 54.840 -1.362 0.000 0.941 148 L CB 0.439 41.684 42.059 -1.356 0.000 1.251 148 L HN 0.429 8.533 8.230 -0.211 0.000 0.479 149 V N 8.108 127.752 119.914 -0.450 0.000 2.370 149 V HA 0.346 4.361 4.120 -0.176 0.000 0.279 149 V C -2.082 173.904 176.094 -0.179 0.000 1.029 149 V CA -3.814 58.369 62.300 -0.195 0.000 0.870 149 V CB 2.395 34.201 31.823 -0.028 0.000 0.984 149 V HN -0.260 7.621 8.190 -0.514 0.000 0.451 150 P HA 0.046 4.388 4.420 -0.130 0.000 0.266 150 P C -1.651 175.621 177.300 -0.047 0.000 1.215 150 P CA -0.116 62.924 63.100 -0.099 0.000 0.763 150 P CB 0.302 31.959 31.700 -0.071 0.000 0.806 151 L N 2.916 124.115 121.223 -0.040 0.000 2.354 151 L HA 0.312 4.649 4.340 -0.005 0.000 0.269 151 L C -0.976 175.907 176.870 0.021 0.000 1.005 151 L CA -1.094 53.740 54.840 -0.010 0.000 0.819 151 L CB 3.351 45.391 42.059 -0.032 0.000 1.311 151 L HN -0.078 8.118 8.230 -0.057 0.000 0.423 152 K N 3.536 123.943 120.400 0.012 0.000 2.349 152 K HA 0.014 4.345 4.320 0.019 0.000 0.289 152 K C -1.378 175.232 176.600 0.016 0.000 1.064 152 K CA 0.197 56.492 56.287 0.013 0.000 0.947 152 K CB 0.321 32.820 32.500 -0.002 0.000 1.007 152 K HN 0.271 8.521 8.250 0.001 0.000 0.478 153 I N 4.283 124.874 120.570 0.034 0.000 2.500 153 I HA 0.139 4.278 4.170 -0.052 0.000 0.286 153 I C -2.144 173.962 176.117 -0.018 0.000 1.063 153 I CA -1.624 59.676 61.300 -0.001 0.000 1.062 153 I CB 2.266 40.305 38.000 0.065 0.000 1.223 153 I HN 0.166 8.404 8.210 0.046 0.000 0.435 154 T N 6.004 120.527 114.554 -0.052 0.000 2.887 154 T HA 0.367 4.702 4.350 -0.024 0.000 0.288 154 T C -0.311 174.352 174.700 -0.061 0.000 1.021 154 T CA -1.605 60.471 62.100 -0.041 0.000 1.000 154 T CB 3.354 72.202 68.868 -0.033 0.000 1.034 154 T HN -0.095 8.102 8.240 -0.072 0.000 0.467 155 T N 0.778 115.307 114.554 -0.042 0.000 13.777 155 T HA -0.533 3.801 4.350 -0.026 0.000 0.419 155 T C -0.130 174.542 174.700 -0.046 0.000 1.441 155 T CA 3.661 65.737 62.100 -0.040 0.000 2.345 155 T CB -0.921 67.919 68.868 -0.047 0.000 2.780 155 T HN 0.464 8.687 8.240 -0.028 0.000 0.449 156 E N 0.477 120.632 120.200 -0.076 0.000 1.964 156 E HA -0.053 4.232 4.350 -0.109 0.000 0.242 156 E C 0.776 177.291 176.600 -0.141 0.000 1.079 156 E CA 1.750 58.103 56.400 -0.079 0.000 1.600 156 E CB -0.232 29.479 29.700 0.018 0.000 3.831 156 E HN -0.015 8.289 8.360 -0.093 0.000 0.963 157 K N 2.709 123.029 120.400 -0.133 0.000 2.211 157 K HA -0.279 3.931 4.320 -0.184 0.000 0.204 157 K C 1.745 178.187 176.600 -0.263 0.000 1.047 157 K CA 3.058 59.203 56.287 -0.236 0.000 0.935 157 K CB -0.469 31.818 32.500 -0.355 0.000 0.728 157 K HN 0.108 8.298 8.250 -0.101 0.000 0.452 158 E N -1.584 118.483 120.200 -0.221 0.000 2.160 158 E HA -0.316 3.931 4.350 -0.173 0.000 0.195 158 E C 2.496 178.938 176.600 -0.263 0.000 0.991 158 E CA 2.917 59.197 56.400 -0.200 0.000 0.810 158 E CB -0.798 28.814 29.700 -0.147 0.000 0.742 158 E HN -0.465 7.753 8.360 -0.187 0.029 0.466 159 L N -1.411 119.544 121.223 -0.446 0.000 2.017 159 L HA -0.165 3.789 4.340 -0.643 0.000 0.208 159 L C 1.641 178.251 176.870 -0.433 0.000 1.073 159 L CA 3.484 57.874 54.840 -0.751 0.000 0.745 159 L CB -0.460 40.689 42.059 -1.517 0.000 0.894 159 L HN -0.606 7.242 8.230 -0.432 0.122 0.432 160 I N -1.223 119.112 120.570 -0.393 0.000 2.233 160 I HA -0.449 3.601 4.170 -0.200 0.000 0.243 160 I C 1.947 178.038 176.117 -0.044 0.000 1.093 160 I CA 4.094 65.281 61.300 -0.189 0.000 1.380 160 I CB -0.545 37.431 38.000 -0.040 0.000 1.067 160 I HN -0.959 6.997 8.210 -0.424 0.000 0.413 161 K N 0.149 120.490 120.400 -0.099 0.000 2.103 161 K HA -0.402 3.903 4.320 -0.025 0.000 0.207 161 K C 2.228 178.793 176.600 -0.058 0.000 1.048 161 K CA 3.242 59.485 56.287 -0.074 0.000 0.930 161 K CB -0.132 32.288 32.500 -0.134 0.000 0.716 161 K HN -0.053 8.096 8.250 -0.168 0.000 0.444 162 E N -2.375 117.769 120.200 -0.093 0.000 2.077 162 E HA -0.288 4.021 4.350 -0.068 0.000 0.193 162 E C 2.532 179.061 176.600 -0.118 0.000 0.989 162 E CA 2.428 58.772 56.400 -0.092 0.000 0.800 162 E CB -0.149 29.493 29.700 -0.098 0.000 0.746 162 E HN -0.222 7.941 8.360 -0.128 0.121 0.452 163 L N -4.270 116.881 121.223 -0.120 0.000 2.456 163 L HA -0.203 3.907 4.340 -0.383 0.000 0.224 163 L C 0.104 177.010 176.870 0.059 0.000 1.148 163 L CA 0.692 55.457 54.840 -0.126 0.000 0.825 163 L CB 0.333 42.362 42.059 -0.051 0.000 0.937 163 L HN -0.783 7.309 8.230 -0.098 0.080 0.450 164 G N -3.420 105.421 108.800 0.069 0.000 2.160 164 G HA2 -0.384 3.674 3.960 0.062 0.000 0.251 164 G HA3 -0.384 3.642 3.960 0.110 0.000 0.251 164 G C -0.516 174.479 174.900 0.159 0.000 1.008 164 G CA 0.127 45.287 45.100 0.100 0.000 0.724 164 G HN -0.650 7.459 8.290 0.027 0.197 0.514 165 F N 0.844 120.814 119.950 0.034 0.000 2.378 165 F HA 0.226 4.789 4.527 0.060 0.000 0.325 165 F C -0.840 175.010 175.800 0.085 0.000 1.097 165 F CA -1.741 56.293 58.000 0.057 0.000 1.079 165 F CB 2.595 41.627 39.000 0.053 0.000 1.240 165 F HN -0.868 7.555 8.300 0.259 0.033 0.519 166 T N 3.156 117.063 114.554 -1.078 0.000 2.751 166 T HA -0.271 3.902 4.350 -0.295 0.000 0.279 166 T C -0.947 173.526 174.700 -0.379 0.000 0.941 166 T CA 0.080 61.771 62.100 -0.681 0.000 1.192 166 T CB -0.133 68.325 68.868 -0.684 0.000 0.883 166 T HN -0.081 7.110 8.240 -1.748 0.000 0.534 167 Y N 7.689 127.917 120.300 -0.121 0.000 2.544 167 Y HA -0.212 4.450 4.550 0.187 0.000 0.330 167 Y C -0.579 175.370 175.900 0.083 0.000 1.136 167 Y CA 1.345 59.482 58.100 0.061 0.000 1.417 167 Y CB 0.602 39.088 38.460 0.045 0.000 1.229 167 Y HN -0.029 8.318 8.280 0.111 0.000 0.532 168 R N 6.901 127.177 120.500 -0.373 0.000 2.686 168 R HA 0.408 4.596 4.340 -0.254 0.000 0.286 168 R C -1.028 174.980 176.300 -0.486 0.000 0.969 168 R CA -2.318 53.606 56.100 -0.294 0.000 0.898 168 R CB 3.426 33.747 30.300 0.035 0.000 1.183 168 R HN -0.005 8.126 8.270 -0.231 0.000 0.456 169 I N -0.925 119.448 120.570 -0.329 0.000 2.872 169 I HA 0.067 4.071 4.170 -0.277 0.000 0.291 169 I C -0.415 175.595 176.117 -0.178 0.000 1.216 169 I CA -1.194 59.967 61.300 -0.232 0.000 1.424 169 I CB -0.870 37.062 38.000 -0.114 0.000 1.351 169 I HN 0.380 8.454 8.210 -0.228 0.000 0.592 170 P HA -0.261 4.067 4.420 -0.154 0.000 0.216 170 P C 0.562 177.756 177.300 -0.176 0.000 1.150 170 P CA 2.582 65.605 63.100 -0.128 0.000 0.843 170 P CB -0.141 31.525 31.700 -0.056 0.000 0.787 171 K N -7.444 112.878 120.400 -0.130 0.000 2.362 171 K HA -0.217 4.089 4.320 -0.125 -0.062 0.200 171 K C 0.550 177.060 176.600 -0.150 0.000 1.046 171 K CA 1.448 57.661 56.287 -0.123 0.000 0.952 171 K CB -1.036 31.417 32.500 -0.078 0.000 0.753 171 K HN 0.136 8.309 8.250 -0.101 0.017 0.466 172 K N -0.580 119.719 120.400 -0.169 0.000 2.827 172 K HA 0.062 4.310 4.320 -0.120 0.000 0.222 172 K C -0.329 176.095 176.600 -0.293 0.000 1.114 172 K CA -0.829 55.365 56.287 -0.154 0.000 1.206 172 K CB 0.067 32.517 32.500 -0.084 0.000 1.035 172 K HN -0.249 7.717 8.250 -0.167 0.184 0.464 173 R N 0.339 120.525 120.500 -0.524 0.000 2.790 173 R HA 0.165 3.296 4.340 -2.015 0.000 0.274 173 R C -1.714 174.166 176.300 -0.700 0.000 1.334 173 R CA -1.105 54.243 56.100 -1.253 0.000 1.543 173 R CB -0.585 28.922 30.300 -1.322 0.000 1.154 173 R HN -0.448 7.492 8.270 -0.386 0.099 0.601 174 L N 0.000 121.053 121.223 -0.284 0.000 2.949 174 L HA 0.000 4.292 4.340 -0.080 0.000 0.249 174 L CA 0.000 54.808 54.840 -0.054 0.000 0.813 174 L CB 0.000 42.030 42.059 -0.049 0.000 0.961 174 L HN 0.000 8.125 8.230 -0.175 0.000 0.502