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 3fq4_1_B DATA FIRST_RESID 987 DATA SEQUENCE HMRDVVSFEQ PEFSVSRGDQ VARIPVIRRV LDGGKSQVSY RTQDGTAQGN DATA SEQUENCE RDYIPVEGEL LFQPGEAWKE LQVKLLELXX XXSLLRGRQV RRFHVQLSNP DATA SEQUENCE KFGAHLGQPH STTIIIRDPD E 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 987 H HA 0.000 nan 4.556 nan 0.000 0.296 987 H C 0.000 175.269 175.328 -0.098 0.000 0.993 987 H CA 0.000 nan 56.048 nan 0.000 1.023 987 H CB 0.000 nan 29.762 nan 0.000 1.292 988 M N 3.097 122.598 119.600 -0.165 0.000 2.252 988 M HA 0.026 4.268 4.480 -0.396 0.000 0.348 988 M C -0.280 175.957 176.300 -0.105 0.000 1.334 988 M CA -0.635 54.493 55.300 -0.288 0.000 1.071 988 M CB -0.347 32.004 32.600 -0.415 0.000 1.763 988 M HN 0.034 nan 8.290 nan 0.000 0.452 989 R N 0.645 121.142 120.500 -0.005 0.000 2.828 989 R HA 0.053 4.470 4.340 0.020 -0.065 0.264 989 R C -1.086 175.288 176.300 0.123 0.000 1.022 989 R CA -0.919 55.214 56.100 0.055 0.000 1.021 989 R CB 2.279 32.610 30.300 0.053 0.000 1.163 989 R HN 0.120 8.403 8.270 0.022 0.000 0.494 990 D N -2.661 117.765 120.400 0.043 0.000 2.737 990 D HA -0.396 4.286 4.640 -0.059 -0.077 0.238 990 D C -0.977 175.316 176.300 -0.012 0.000 1.157 990 D CA 1.599 55.593 54.000 -0.010 0.000 0.694 990 D CB -1.910 38.887 40.800 -0.005 0.000 1.021 990 D HN 0.095 8.360 8.370 0.019 0.116 0.420 991 V N -1.340 118.567 119.914 -0.013 0.000 2.408 991 V HA 0.091 4.429 4.120 0.053 -0.186 0.267 991 V C -0.366 175.689 176.094 -0.065 0.000 1.047 991 V CA -0.034 62.268 62.300 0.004 0.000 0.937 991 V CB 0.602 32.432 31.823 0.012 0.000 0.999 991 V HN -0.324 7.854 8.190 -0.020 0.000 0.472 992 V N 9.384 129.256 119.914 -0.071 0.000 2.435 992 V HA 0.835 5.083 4.120 -0.163 -0.227 0.290 992 V C -0.694 175.369 176.094 -0.052 0.000 1.030 992 V CA -1.508 60.721 62.300 -0.118 0.000 0.881 992 V CB 1.443 33.176 31.823 -0.149 0.000 0.983 992 V HN 0.760 8.929 8.190 -0.033 0.000 0.445 993 S N 4.728 120.396 115.700 -0.052 0.000 2.625 993 S HA 0.426 4.860 4.470 -0.061 0.000 0.271 993 S C -1.189 173.370 174.600 -0.070 0.000 1.161 993 S CA -1.393 56.786 58.200 -0.035 0.000 0.820 993 S CB 2.882 66.117 63.200 0.059 0.000 1.137 993 S HN 0.381 8.665 8.310 -0.044 0.000 0.470 994 F N -0.700 119.347 119.950 0.161 0.000 2.418 994 F HA 0.030 4.828 4.527 0.226 -0.135 0.341 994 F C 0.822 176.737 175.800 0.193 0.000 1.120 994 F CA 1.452 59.578 58.000 0.211 0.000 1.232 994 F CB 0.896 40.044 39.000 0.246 0.000 1.175 994 F HN 0.043 8.431 8.300 0.147 0.000 0.569 995 E N 1.242 121.730 120.200 0.479 0.000 2.150 995 E HA -0.255 4.207 4.350 0.187 0.000 0.193 995 E C -0.246 176.426 176.600 0.119 0.000 0.985 995 E CA 2.060 58.625 56.400 0.275 0.000 0.814 995 E CB 0.881 30.744 29.700 0.271 0.000 0.752 995 E HN -0.080 8.653 8.360 0.623 0.000 0.466 996 Q N -5.073 114.732 119.800 0.008 0.000 2.421 996 Q HA 0.316 4.530 4.340 -0.210 0.000 0.280 996 Q C -2.306 173.498 176.000 -0.327 0.000 1.085 996 Q CA -2.246 53.346 55.803 -0.351 0.000 0.807 996 Q CB 2.055 30.278 28.738 -0.859 0.000 1.405 996 Q HN -0.391 7.997 8.270 0.196 0.000 0.419 997 P HA 0.048 4.402 4.420 -0.110 0.000 0.236 997 P C -1.322 175.824 177.300 -0.257 0.000 1.177 997 P CA 0.570 63.561 63.100 -0.182 0.000 0.773 997 P CB 0.857 32.481 31.700 -0.127 0.000 0.878 998 E N -3.094 116.855 120.200 -0.419 0.000 2.308 998 E HA 0.655 5.072 4.350 -0.271 -0.230 0.275 998 E C -1.255 174.984 176.600 -0.601 0.000 0.890 998 E CA -1.166 55.014 56.400 -0.368 0.000 0.754 998 E CB 3.927 33.487 29.700 -0.234 0.000 1.207 998 E HN -0.550 7.463 8.360 -0.520 0.035 0.426 999 F N 1.787 121.632 119.950 -0.175 0.000 2.551 999 F HA 0.274 4.738 4.527 -0.105 0.000 0.316 999 F C -1.096 174.615 175.800 -0.148 0.000 1.089 999 F CA -1.445 56.469 58.000 -0.142 0.000 0.915 999 F CB 4.126 43.038 39.000 -0.147 0.000 1.186 999 F HN 0.454 8.721 8.300 -0.055 0.000 0.456 1000 S N 3.477 119.224 115.700 0.078 0.000 2.475 1000 S HA 0.769 5.406 4.470 -0.014 -0.175 0.298 1000 S C -0.689 173.931 174.600 0.032 0.000 1.119 1000 S CA -1.136 57.074 58.200 0.017 0.000 1.085 1000 S CB 1.093 64.291 63.200 -0.003 0.000 1.028 1000 S HN 0.110 8.480 8.310 0.100 0.000 0.489 1001 V N -0.502 119.420 119.914 0.013 0.000 3.160 1001 V HA 0.607 4.743 4.120 0.027 0.000 0.310 1001 V C -2.270 173.840 176.094 0.026 0.000 1.181 1001 V CA -2.828 59.486 62.300 0.024 0.000 1.047 1001 V CB 3.696 35.536 31.823 0.030 0.000 1.068 1001 V HN 0.886 9.075 8.190 -0.001 0.000 0.441 1002 S N -0.890 114.829 115.700 0.031 0.000 2.617 1002 S HA 0.607 5.286 4.470 0.028 -0.192 0.283 1002 S C 1.255 175.881 174.600 0.043 0.000 1.189 1002 S CA -2.631 55.588 58.200 0.032 0.000 1.036 1002 S CB 2.135 65.351 63.200 0.026 0.000 1.014 1002 S HN 0.047 8.690 8.310 0.031 -0.314 0.522 1003 R N 6.785 127.311 120.500 0.042 0.000 2.127 1003 R HA -0.253 4.126 4.340 0.065 0.000 0.238 1003 R C 1.026 177.353 176.300 0.045 0.000 1.134 1003 R CA 2.720 58.850 56.100 0.050 0.000 0.975 1003 R CB 0.091 30.416 30.300 0.041 0.000 0.865 1003 R HN 0.239 8.531 8.270 0.036 0.000 0.447 1004 G N -4.449 104.372 108.800 0.035 0.000 3.189 1004 G HA2 0.105 4.186 3.960 0.028 0.000 0.225 1004 G HA3 0.105 4.080 3.960 0.024 0.000 0.225 1004 G C 0.111 175.029 174.900 0.029 0.000 1.159 1004 G CA -0.272 44.846 45.100 0.029 0.000 0.763 1004 G HN -0.747 7.500 8.290 0.032 0.062 0.549 1005 D N 0.968 121.389 120.400 0.035 0.000 2.350 1005 D HA -0.053 4.604 4.640 0.028 0.000 0.216 1005 D C 0.930 177.250 176.300 0.033 0.000 0.968 1005 D CA 1.273 55.293 54.000 0.034 0.000 0.894 1005 D CB 0.070 40.893 40.800 0.038 0.000 0.909 1005 D HN -0.375 7.865 8.370 0.041 0.155 0.520 1006 Q N -7.142 112.680 119.800 0.037 0.000 2.905 1006 Q HA -0.419 3.940 4.340 0.033 0.000 0.188 1006 Q C -1.068 174.957 176.000 0.041 0.000 2.676 1006 Q CA 2.620 58.443 55.803 0.034 0.000 0.553 1006 Q CB -0.941 27.811 28.738 0.024 0.000 0.513 1006 Q HN 0.612 8.852 8.270 0.039 0.054 0.638 1007 V N -7.831 112.109 119.914 0.043 0.000 2.971 1007 V HA 0.689 5.008 4.120 0.062 -0.162 0.309 1007 V C -1.773 174.351 176.094 0.050 0.000 1.130 1007 V CA -2.832 59.497 62.300 0.049 0.000 0.964 1007 V CB 3.662 35.504 31.823 0.032 0.000 1.029 1007 V HN -0.461 7.665 8.190 0.039 0.087 0.427 1008 A N 3.967 126.826 122.820 0.065 0.000 2.274 1008 A HA 0.422 4.750 4.320 0.013 0.000 0.309 1008 A C -1.163 176.408 177.584 -0.022 0.000 1.226 1008 A CA -1.200 50.854 52.037 0.029 0.000 0.853 1008 A CB 1.904 20.946 19.000 0.069 0.000 1.146 1008 A HN 0.675 8.879 8.150 0.091 0.000 0.518 1009 R N 2.941 123.403 120.500 -0.064 0.000 2.265 1009 R HA 0.474 4.932 4.340 -0.060 -0.155 0.328 1009 R C -0.828 175.349 176.300 -0.204 0.000 0.969 1009 R CA -0.863 55.191 56.100 -0.077 0.000 0.832 1009 R CB 1.154 31.443 30.300 -0.019 0.000 1.139 1009 R HN 0.357 8.590 8.270 -0.062 0.000 0.457 1010 I N 4.802 125.241 120.570 -0.219 0.000 2.411 1010 I HA 0.513 4.180 4.170 -0.839 0.000 0.284 1010 I C -2.416 173.614 176.117 -0.146 0.000 1.012 1010 I CA -3.255 57.790 61.300 -0.426 0.000 1.119 1010 I CB 2.905 40.709 38.000 -0.327 0.000 1.261 1010 I HN 0.638 8.768 8.210 -0.134 0.000 0.448 1011 P HA 0.439 5.235 4.420 0.342 -0.171 0.281 1011 P C -1.220 176.272 177.300 0.320 0.000 1.252 1011 P CA -0.971 62.273 63.100 0.240 0.000 0.778 1011 P CB 0.544 32.387 31.700 0.237 0.000 0.895 1012 V N 3.169 123.267 119.914 0.307 0.000 2.448 1012 V HA 0.547 4.909 4.120 0.157 -0.148 0.295 1012 V C -0.616 175.693 176.094 0.357 0.000 1.025 1012 V CA -1.421 61.012 62.300 0.223 0.000 0.859 1012 V CB 2.237 34.115 31.823 0.092 0.000 0.988 1012 V HN 0.419 8.802 8.190 0.323 0.000 0.431 1013 I N 1.161 121.879 120.570 0.247 0.000 2.607 1013 I HA 0.769 5.296 4.170 0.361 -0.141 0.305 1013 I C -2.228 173.914 176.117 0.041 0.000 0.995 1013 I CA -2.956 58.480 61.300 0.227 0.000 1.148 1013 I CB 3.283 41.373 38.000 0.150 0.000 1.323 1013 I HN 0.752 9.062 8.210 0.167 0.000 0.461 1014 R N 3.445 123.919 120.500 -0.043 0.000 2.513 1014 R HA 0.653 5.042 4.340 -0.259 -0.205 0.301 1014 R C -1.191 175.055 176.300 -0.090 0.000 0.968 1014 R CA -1.351 54.597 56.100 -0.253 0.000 0.872 1014 R CB 3.391 33.282 30.300 -0.682 0.000 1.177 1014 R HN 0.135 8.349 8.270 0.077 0.102 0.444 1015 R N 4.633 125.090 120.500 -0.071 0.000 2.873 1015 R HA 0.319 4.653 4.340 -0.010 0.000 0.264 1015 R C -0.756 175.529 176.300 -0.024 0.000 1.026 1015 R CA -1.724 54.361 56.100 -0.025 0.000 1.002 1015 R CB 2.814 33.108 30.300 -0.010 0.000 1.174 1015 R HN 0.436 8.654 8.270 -0.086 0.000 0.488 1016 V N -2.003 117.905 119.914 -0.009 0.000 5.949 1016 V HA -0.389 3.730 4.120 -0.000 0.000 0.287 1016 V C -1.560 174.533 176.094 -0.002 0.000 0.603 1016 V CA 0.104 62.401 62.300 -0.004 0.000 0.608 1016 V CB -1.747 30.072 31.823 -0.006 0.000 0.259 1016 V HN 0.502 8.690 8.190 -0.003 0.000 0.742 1017 L N 1.122 122.345 121.223 -0.001 0.000 2.455 1017 L HA -0.042 4.525 4.340 -0.009 -0.232 0.272 1017 L C 0.942 177.819 176.870 0.011 0.000 1.174 1017 L CA 0.428 55.269 54.840 0.001 0.000 0.869 1017 L CB 0.002 42.066 42.059 0.009 0.000 1.130 1017 L HN -0.245 7.987 8.230 0.003 0.000 0.474 1018 D N 3.974 124.383 120.400 0.016 0.000 2.327 1018 D HA 0.013 4.664 4.640 0.019 0.000 0.205 1018 D C 0.722 177.034 176.300 0.019 0.000 0.989 1018 D CA -0.023 53.989 54.000 0.021 0.000 0.873 1018 D CB 0.678 41.496 40.800 0.030 0.000 0.955 1018 D HN 0.133 8.897 8.370 0.015 -0.386 0.515 1019 G N -2.788 106.023 108.800 0.018 0.000 2.260 1019 G HA2 -0.201 3.769 3.960 0.018 0.000 0.179 1019 G HA3 -0.201 3.767 3.960 0.014 0.000 0.179 1019 G C -0.460 174.449 174.900 0.015 0.000 1.002 1019 G CA -0.136 44.974 45.100 0.017 0.000 0.677 1019 G HN 0.128 8.429 8.290 0.019 0.000 0.486 1020 G N 0.046 108.857 108.800 0.017 0.000 2.938 1020 G HA2 0.262 4.221 3.960 -0.001 0.000 0.258 1020 G HA3 0.262 4.225 3.960 0.006 0.000 0.258 1020 G C -1.958 172.955 174.900 0.023 0.000 1.356 1020 G CA -1.699 43.407 45.100 0.009 0.000 1.052 1020 G HN -0.310 7.993 8.290 0.021 0.000 0.550 1021 K N -1.951 118.450 120.400 0.001 0.000 2.107 1021 K HA 0.378 4.891 4.320 0.074 -0.149 0.251 1021 K C -1.301 175.377 176.600 0.129 0.000 1.012 1021 K CA -0.238 56.070 56.287 0.034 0.000 0.920 1021 K CB 1.127 33.575 32.500 -0.087 0.000 1.033 1021 K HN 0.035 8.262 8.250 -0.038 0.000 0.478 1022 S N -0.835 115.002 115.700 0.228 0.000 2.546 1022 S HA 0.457 5.103 4.470 0.294 0.000 0.274 1022 S C -2.202 172.633 174.600 0.392 0.000 1.121 1022 S CA -1.466 56.894 58.200 0.267 0.000 0.887 1022 S CB 4.117 67.357 63.200 0.066 0.000 1.094 1022 S HN -0.145 8.319 8.310 0.258 0.000 0.474 1023 Q N 3.033 123.026 119.800 0.322 0.000 2.389 1023 Q HA 1.046 5.801 4.340 0.327 -0.220 0.277 1023 Q C -2.063 174.006 176.000 0.115 0.000 1.082 1023 Q CA -1.651 54.306 55.803 0.256 0.000 0.810 1023 Q CB 4.594 33.477 28.738 0.240 0.000 1.374 1023 Q HN -0.024 8.381 8.270 0.224 0.000 0.422 1024 V N -1.810 118.197 119.914 0.154 0.000 3.078 1024 V HA 0.747 5.199 4.120 0.033 -0.312 0.311 1024 V C -1.930 174.235 176.094 0.118 0.000 1.138 1024 V CA -3.289 59.069 62.300 0.097 0.000 1.007 1024 V CB 3.661 35.549 31.823 0.108 0.000 1.045 1024 V HN 0.318 8.635 8.190 0.212 0.000 0.432 1025 S N 0.999 116.748 115.700 0.081 0.000 2.654 1025 S HA 0.766 5.419 4.470 0.073 -0.139 0.283 1025 S C -0.853 173.850 174.600 0.171 0.000 1.180 1025 S CA -0.786 57.459 58.200 0.075 0.000 1.021 1025 S CB 1.883 65.083 63.200 -0.001 0.000 1.018 1025 S HN 0.215 8.554 8.310 0.049 0.000 0.532 1026 Y N -2.217 118.133 120.300 0.083 0.000 2.562 1026 Y HA 1.091 5.971 4.550 0.155 -0.237 0.345 1026 Y C -2.557 173.423 175.900 0.134 0.000 1.045 1026 Y CA -2.670 55.511 58.100 0.135 0.000 1.028 1026 Y CB 4.017 42.576 38.460 0.164 0.000 1.297 1026 Y HN 0.608 8.785 8.280 -0.172 0.000 0.463 1027 R N -1.733 118.918 120.500 0.252 0.000 2.643 1027 R HA 0.696 5.248 4.340 0.092 -0.157 0.269 1027 R C -0.732 175.748 176.300 0.298 0.000 1.037 1027 R CA -1.284 54.919 56.100 0.172 0.000 0.894 1027 R CB 4.061 34.406 30.300 0.075 0.000 1.238 1027 R HN 0.312 8.800 8.270 0.363 0.000 0.459 1028 T N -0.473 114.255 114.554 0.290 0.000 2.860 1028 T HA 0.189 4.895 4.350 0.309 -0.171 0.299 1028 T C 0.076 174.936 174.700 0.266 0.000 1.045 1028 T CA -0.858 61.420 62.100 0.297 0.000 1.071 1028 T CB 1.003 70.062 68.868 0.319 0.000 0.985 1028 T HN 0.152 8.554 8.240 0.270 0.000 0.537 1029 Q N 1.435 121.411 119.800 0.293 0.000 2.309 1029 Q HA 0.289 4.780 4.340 0.253 0.000 0.273 1029 Q C -2.189 174.024 176.000 0.355 0.000 1.040 1029 Q CA -1.272 54.700 55.803 0.282 0.000 0.834 1029 Q CB 4.014 32.885 28.738 0.222 0.000 1.345 1029 Q HN 0.314 8.770 8.270 0.310 0.000 0.414 1030 D N 3.936 124.542 120.400 0.343 0.000 2.449 1030 D HA -0.034 4.989 4.640 0.456 -0.110 0.236 1030 D C -0.074 176.452 176.300 0.377 0.000 1.149 1030 D CA 1.267 55.485 54.000 0.362 0.000 0.878 1030 D CB 0.475 41.423 40.800 0.246 0.000 1.198 1030 D HN 0.291 8.833 8.370 0.286 0.000 0.446 1031 G N 0.980 109.989 108.800 0.347 0.000 3.414 1031 G HA2 0.603 4.781 3.960 0.364 0.000 0.189 1031 G HA3 0.603 4.861 3.960 0.284 -0.127 0.189 1031 G C -0.226 174.795 174.900 0.200 0.000 1.329 1031 G CA 0.131 45.421 45.100 0.318 0.000 0.851 1031 G HN -0.282 8.199 8.290 0.319 0.000 0.671 1032 T N -1.776 112.867 114.554 0.147 0.000 2.951 1032 T HA -0.215 4.199 4.350 0.106 0.000 0.268 1032 T C 0.474 175.251 174.700 0.129 0.000 1.073 1032 T CA 1.243 63.410 62.100 0.112 0.000 1.134 1032 T CB 0.526 69.440 68.868 0.077 0.000 0.884 1032 T HN -0.427 7.892 8.240 0.131 0.000 0.479 1033 A N 1.119 124.042 122.820 0.172 0.000 2.363 1033 A HA 0.104 4.704 4.320 0.196 -0.162 0.270 1033 A C -2.012 175.777 177.584 0.341 0.000 1.121 1033 A CA -0.761 51.427 52.037 0.250 0.000 0.800 1033 A CB 1.254 20.466 19.000 0.353 0.000 1.052 1033 A HN -0.394 7.730 8.150 0.158 0.121 0.493 1034 Q N 2.006 121.953 119.800 0.245 0.000 2.375 1034 Q HA 0.210 4.857 4.340 0.220 -0.175 0.271 1034 Q C -0.185 175.674 176.000 -0.234 0.000 1.074 1034 Q CA -1.952 53.920 55.803 0.116 0.000 0.808 1034 Q CB 4.866 33.632 28.738 0.047 0.000 1.327 1034 Q HN 0.311 9.013 8.270 0.178 -0.325 0.441 1035 G N 1.145 109.652 108.800 -0.490 0.000 2.353 1035 G HA2 -0.317 2.926 3.960 -1.500 0.000 0.239 1035 G HA3 -0.317 3.250 3.960 -0.656 0.000 0.239 1035 G C -0.213 174.434 174.900 -0.421 0.000 1.295 1035 G CA 0.741 45.343 45.100 -0.829 0.000 0.884 1035 G HN 0.157 8.600 8.290 -0.261 -0.310 0.537 1036 N N 2.170 120.623 118.700 -0.412 0.000 2.900 1036 N HA -0.454 4.160 4.740 -0.209 0.000 0.240 1036 N C -0.661 174.756 175.510 -0.156 0.000 0.953 1036 N CA 1.596 54.512 53.050 -0.224 0.000 0.950 1036 N CB -0.018 38.376 38.487 -0.155 0.000 1.102 1036 N HN -0.080 7.983 8.380 -0.528 0.000 0.593 1037 R N -2.282 118.121 120.500 -0.163 0.000 2.197 1037 R HA 0.046 4.349 4.340 -0.063 0.000 0.188 1037 R C -0.264 176.005 176.300 -0.050 0.000 1.015 1037 R CA 2.073 58.125 56.100 -0.079 0.000 1.132 1037 R CB 1.492 31.766 30.300 -0.043 0.000 1.134 1037 R HN -0.421 7.636 8.270 -0.224 0.078 0.560 1038 D N -4.996 115.377 120.400 -0.045 0.000 2.423 1038 D HA 0.329 5.002 4.640 0.055 0.000 0.212 1038 D C -0.734 175.617 176.300 0.085 0.000 1.060 1038 D CA 1.317 55.353 54.000 0.061 0.000 0.872 1038 D CB 3.505 44.407 40.800 0.171 0.000 1.012 1038 D HN -0.208 8.105 8.370 -0.095 0.000 0.503 1039 Y N -6.447 113.740 120.300 -0.189 0.000 2.689 1039 Y HA 0.506 5.037 4.550 -0.190 -0.095 0.333 1039 Y C -3.098 172.662 175.900 -0.234 0.000 1.208 1039 Y CA -1.764 56.163 58.100 -0.287 0.000 1.055 1039 Y CB 1.744 39.761 38.460 -0.739 0.000 1.304 1039 Y HN -0.869 7.203 8.280 -0.347 0.000 0.455 1040 I N 1.165 121.619 120.570 -0.192 0.000 2.312 1040 I HA 0.296 4.281 4.170 -0.307 0.000 0.290 1040 I C -1.963 174.092 176.117 -0.103 0.000 1.008 1040 I CA -2.931 58.248 61.300 -0.202 0.000 1.226 1040 I CB 0.181 38.139 38.000 -0.070 0.000 1.371 1040 I HN -0.057 8.139 8.210 -0.022 0.000 0.468 1041 P HA 0.062 4.619 4.420 0.229 0.000 0.271 1041 P C -1.780 175.563 177.300 0.071 0.000 1.218 1041 P CA -0.654 62.461 63.100 0.025 0.000 0.780 1041 P CB 0.501 32.173 31.700 -0.046 0.000 0.901 1042 V N 1.372 121.372 119.914 0.143 0.000 3.120 1042 V HA 0.418 4.579 4.120 0.068 0.000 0.303 1042 V C -2.833 173.315 176.094 0.091 0.000 1.238 1042 V CA -1.878 60.496 62.300 0.124 0.000 1.008 1042 V CB 2.776 34.712 31.823 0.190 0.000 1.064 1042 V HN -0.094 8.214 8.190 0.197 0.000 0.434 1043 E N 4.743 124.898 120.200 -0.075 0.000 2.352 1043 E HA 0.724 4.859 4.350 -0.566 -0.125 0.280 1043 E C -1.914 174.374 176.600 -0.520 0.000 0.930 1043 E CA -1.258 54.925 56.400 -0.361 0.000 0.765 1043 E CB 3.832 33.426 29.700 -0.177 0.000 1.219 1043 E HN -0.270 8.055 8.360 -0.059 0.000 0.434 1044 G N -0.783 107.415 108.800 -1.004 0.000 2.500 1044 G HA2 0.009 3.794 3.960 -0.292 0.000 0.299 1044 G HA3 0.009 3.741 3.960 -0.379 0.000 0.299 1044 G C -2.705 171.969 174.900 -0.378 0.000 1.242 1044 G CA 0.767 45.541 45.100 -0.543 0.000 0.859 1044 G HN -0.039 7.436 8.290 -1.357 0.000 0.481 1045 E N -0.663 119.541 120.200 0.005 0.000 2.238 1045 E HA 0.617 5.186 4.350 0.121 -0.147 0.267 1045 E C -0.888 175.848 176.600 0.226 0.000 0.887 1045 E CA -1.618 54.855 56.400 0.123 0.000 0.769 1045 E CB 2.983 32.723 29.700 0.067 0.000 1.187 1045 E HN -0.023 8.371 8.360 0.058 0.000 0.416 1046 L N 4.310 125.656 121.223 0.205 0.000 2.319 1046 L HA 0.329 4.669 4.340 -0.001 0.000 0.281 1046 L C -1.851 175.054 176.870 0.058 0.000 1.005 1046 L CA -0.981 53.894 54.840 0.060 0.000 0.828 1046 L CB 2.015 44.075 42.059 0.003 0.000 1.227 1046 L HN 0.654 9.012 8.230 0.213 0.000 0.415 1047 L N 5.027 126.234 121.223 -0.026 0.000 2.295 1047 L HA 0.507 5.119 4.340 0.199 -0.153 0.281 1047 L C -1.738 175.108 176.870 -0.039 0.000 1.018 1047 L CA -1.364 53.516 54.840 0.068 0.000 0.841 1047 L CB 1.821 43.925 42.059 0.074 0.000 1.218 1047 L HN 0.252 8.430 8.230 -0.088 0.000 0.424 1048 F N 6.559 126.531 119.950 0.037 0.000 2.420 1048 F HA 0.413 5.148 4.527 -0.011 -0.215 0.352 1048 F C 0.039 175.840 175.800 0.003 0.000 1.108 1048 F CA -0.819 57.187 58.000 0.010 0.000 1.162 1048 F CB 1.065 40.078 39.000 0.023 0.000 1.118 1048 F HN 0.718 9.322 8.300 0.507 0.000 0.510 1049 Q N 3.644 123.522 119.800 0.129 0.000 2.185 1049 Q HA 0.369 4.740 4.340 0.052 0.000 0.225 1049 Q C -2.004 174.045 176.000 0.082 0.000 0.983 1049 Q CA -2.304 53.539 55.803 0.067 0.000 0.950 1049 Q CB -0.056 28.689 28.738 0.012 0.000 1.176 1049 Q HN 0.010 8.614 8.270 0.081 -0.285 0.510 1050 P HA -0.338 4.109 4.420 0.046 0.000 0.262 1050 P C 0.440 177.769 177.300 0.049 0.000 1.182 1050 P CA 1.144 64.268 63.100 0.040 0.000 0.761 1050 P CB -0.159 31.551 31.700 0.017 0.000 0.795 1051 G N 3.206 112.041 108.800 0.058 0.000 2.268 1051 G HA2 -0.448 3.546 3.960 0.057 0.000 0.240 1051 G HA3 -0.448 3.544 3.960 0.052 0.000 0.240 1051 G C -0.363 174.593 174.900 0.094 0.000 1.010 1051 G CA -0.052 45.086 45.100 0.063 0.000 0.618 1051 G HN 0.377 8.700 8.290 0.056 0.000 0.516 1052 E N 1.584 121.860 120.200 0.128 0.000 2.324 1052 E HA -0.070 4.357 4.350 0.128 0.000 0.271 1052 E C -0.881 175.880 176.600 0.269 0.000 1.028 1052 E CA -0.118 56.391 56.400 0.182 0.000 0.890 1052 E CB 0.540 30.360 29.700 0.201 0.000 1.004 1052 E HN -0.559 7.812 8.360 0.129 0.067 0.431 1053 A N 5.701 128.687 122.820 0.277 0.000 2.288 1053 A HA 0.193 4.636 4.320 0.205 0.000 0.216 1053 A C -1.594 176.286 177.584 0.493 0.000 1.199 1053 A CA 0.547 52.766 52.037 0.303 0.000 0.891 1053 A CB 1.627 20.781 19.000 0.258 0.000 0.923 1053 A HN 0.603 8.909 8.150 0.260 0.000 0.500 1054 W N -5.136 116.314 121.300 0.251 0.000 3.275 1054 W HA 0.857 5.916 4.660 0.374 -0.174 0.306 1054 W C -2.622 173.975 176.519 0.131 0.000 1.259 1054 W CA -1.618 55.876 57.345 0.247 0.000 1.194 1054 W CB 1.538 31.076 29.460 0.132 0.000 1.375 1054 W HN -0.698 7.688 8.180 0.343 0.000 0.564 1055 K N -0.459 119.935 120.400 -0.010 0.000 2.477 1055 K HA 0.329 4.256 4.320 -0.654 0.000 0.255 1055 K C -2.117 174.386 176.600 -0.162 0.000 0.952 1055 K CA -1.450 54.609 56.287 -0.381 0.000 0.826 1055 K CB 4.512 36.720 32.500 -0.486 0.000 1.331 1055 K HN 0.382 8.805 8.250 0.288 0.000 0.437 1056 E N 3.090 123.128 120.200 -0.269 0.000 2.145 1056 E HA 0.303 4.822 4.350 0.043 -0.143 0.270 1056 E C -0.835 175.685 176.600 -0.133 0.000 0.906 1056 E CA -1.390 54.958 56.400 -0.087 0.000 0.761 1056 E CB 1.584 31.245 29.700 -0.064 0.000 1.116 1056 E HN 0.209 8.338 8.360 -0.384 0.000 0.408 1057 L N 6.951 128.102 121.223 -0.119 0.000 2.312 1057 L HA 0.253 4.455 4.340 -0.230 0.000 0.281 1057 L C -0.912 175.897 176.870 -0.103 0.000 1.070 1057 L CA -0.585 54.144 54.840 -0.185 0.000 0.805 1057 L CB 1.391 43.295 42.059 -0.257 0.000 1.174 1057 L HN 0.577 8.762 8.230 -0.075 0.000 0.434 1058 Q N 1.652 121.409 119.800 -0.071 0.000 2.316 1058 Q HA 0.722 5.277 4.340 -0.015 -0.224 0.264 1058 Q C -0.831 175.194 176.000 0.041 0.000 0.987 1058 Q CA -1.283 54.512 55.803 -0.012 0.000 0.852 1058 Q CB 2.563 31.297 28.738 -0.006 0.000 1.287 1058 Q HN 0.260 8.482 8.270 -0.079 0.000 0.448 1059 V N 5.438 125.399 119.914 0.078 0.000 2.487 1059 V HA 0.285 4.483 4.120 0.130 0.000 0.298 1059 V C -1.041 175.121 176.094 0.114 0.000 1.028 1059 V CA -1.481 60.898 62.300 0.133 0.000 0.860 1059 V CB 2.846 34.803 31.823 0.223 0.000 0.991 1059 V HN 0.424 8.656 8.190 0.070 0.000 0.427 1060 K N 6.696 127.148 120.400 0.088 0.000 2.350 1060 K HA 0.015 4.518 4.320 0.062 -0.145 0.279 1060 K C -0.378 176.266 176.600 0.073 0.000 1.027 1060 K CA 0.484 56.809 56.287 0.064 0.000 0.969 1060 K CB 0.565 33.087 32.500 0.036 0.000 0.954 1060 K HN 0.376 8.677 8.250 0.085 0.000 0.474 1061 L N 1.471 122.737 121.223 0.073 0.000 2.352 1061 L HA 0.269 4.671 4.340 0.104 0.000 0.269 1061 L C -0.630 176.267 176.870 0.043 0.000 1.034 1061 L CA -1.273 53.618 54.840 0.085 0.000 0.806 1061 L CB 1.988 44.110 42.059 0.106 0.000 1.244 1061 L HN -0.044 8.111 8.230 0.065 0.113 0.447 1062 L N -0.339 120.906 121.223 0.037 0.000 2.365 1062 L HA 0.369 4.714 4.340 0.007 0.000 0.273 1062 L C -0.720 176.163 176.870 0.022 0.000 1.000 1062 L CA -1.285 53.561 54.840 0.011 0.000 0.819 1062 L CB 2.777 44.823 42.059 -0.022 0.000 1.284 1062 L HN -0.242 7.933 8.230 0.055 0.088 0.418 1063 E N 2.199 122.407 120.200 0.015 0.000 2.283 1063 E HA 0.117 4.481 4.350 0.024 0.000 0.278 1063 E C -0.153 176.453 176.600 0.010 0.000 1.027 1063 E CA -0.107 56.303 56.400 0.017 0.000 0.843 1063 E CB 0.611 30.319 29.700 0.014 0.000 1.062 1063 E HN 0.096 8.461 8.360 0.009 0.000 0.401 1070 L N 1.429 122.655 121.223 0.006 0.000 2.552 1070 L HA -0.045 4.298 4.340 0.005 0.000 0.227 1070 L C -0.057 176.816 176.870 0.006 0.000 1.146 1070 L CA 1.253 56.096 54.840 0.005 0.000 0.858 1070 L CB -0.130 41.932 42.059 0.005 0.000 0.969 1070 L HN -0.103 8.130 8.230 0.006 0.000 0.451 1071 L N -4.049 117.179 121.223 0.007 0.000 2.616 1071 L HA 0.064 4.408 4.340 0.008 0.000 0.229 1071 L C -0.645 176.230 176.870 0.009 0.000 1.110 1071 L CA -1.125 53.720 54.840 0.008 0.000 0.884 1071 L CB -0.741 41.324 42.059 0.010 0.000 1.115 1071 L HN -0.102 8.079 8.230 0.007 0.053 0.481 1072 R N -0.107 120.398 120.500 0.008 0.000 2.484 1072 R HA -0.401 3.945 4.340 0.010 0.000 0.293 1072 R C 0.359 176.664 176.300 0.008 0.000 1.023 1072 R CA 1.326 57.431 56.100 0.009 0.000 1.037 1072 R CB -0.515 29.790 30.300 0.008 0.000 0.951 1072 R HN -0.972 7.303 8.270 0.008 0.000 0.418 1073 G N 3.169 111.974 108.800 0.009 0.000 2.213 1073 G HA2 -0.314 3.651 3.960 0.008 0.000 0.226 1073 G HA3 -0.314 3.650 3.960 0.007 0.000 0.226 1073 G C -0.087 174.818 174.900 0.007 0.000 0.992 1073 G CA 0.043 45.147 45.100 0.008 0.000 0.632 1073 G HN 0.391 8.981 8.290 0.011 -0.294 0.511 1074 R N -0.861 119.643 120.500 0.008 0.000 2.616 1074 R HA 0.168 4.512 4.340 0.006 0.000 0.427 1074 R C -1.589 174.717 176.300 0.010 0.000 1.030 1074 R CA -0.689 55.415 56.100 0.008 0.000 1.133 1074 R CB 0.756 31.059 30.300 0.006 0.000 1.444 1074 R HN -0.325 7.887 8.270 0.009 0.063 0.578 1075 Q N 1.545 121.353 119.800 0.013 0.000 2.257 1075 Q HA 0.075 4.425 4.340 0.016 0.000 0.255 1075 Q C -1.719 174.292 176.000 0.018 0.000 0.920 1075 Q CA -0.457 55.357 55.803 0.017 0.000 0.927 1075 Q CB 1.667 30.417 28.738 0.020 0.000 1.229 1075 Q HN -0.695 7.784 8.270 0.013 -0.201 0.433 1076 V N 6.056 125.982 119.914 0.019 0.000 2.733 1076 V HA 0.710 5.038 4.120 0.018 -0.198 0.306 1076 V C -0.641 175.468 176.094 0.025 0.000 1.084 1076 V CA -1.371 60.939 62.300 0.017 0.000 0.905 1076 V CB 2.780 34.607 31.823 0.006 0.000 1.010 1076 V HN 0.351 8.553 8.190 0.020 0.000 0.424 1077 R N 4.685 125.205 120.500 0.033 0.000 2.774 1077 R HA 0.654 5.018 4.340 0.040 0.000 0.272 1077 R C -2.389 173.928 176.300 0.029 0.000 1.000 1077 R CA -1.550 54.579 56.100 0.048 0.000 0.906 1077 R CB 5.036 35.386 30.300 0.083 0.000 1.227 1077 R HN 0.059 8.349 8.270 0.034 0.000 0.468 1078 R N -1.317 119.189 120.500 0.010 0.000 2.626 1078 R HA 1.055 5.485 4.340 -0.130 -0.169 0.274 1078 R C -1.879 174.329 176.300 -0.152 0.000 1.031 1078 R CA -1.512 54.515 56.100 -0.121 0.000 0.898 1078 R CB 3.751 33.929 30.300 -0.203 0.000 1.222 1078 R HN 0.529 8.873 8.270 0.033 -0.055 0.455 1079 F N -2.090 117.606 119.950 -0.423 0.000 2.661 1079 F HA 0.438 4.767 4.527 -0.459 -0.077 0.347 1079 F C -2.620 172.714 175.800 -0.777 0.000 1.086 1079 F CA -2.145 55.525 58.000 -0.551 0.000 1.016 1079 F CB 2.624 41.226 39.000 -0.663 0.000 1.368 1079 F HN 0.294 8.195 8.300 -0.664 0.000 0.505 1080 H N -3.348 115.723 119.070 0.001 0.000 2.747 1080 H HA 0.823 5.417 4.556 -0.230 -0.177 0.371 1080 H C -0.762 174.579 175.328 0.020 0.000 1.161 1080 H CA -1.413 54.586 56.048 -0.083 0.000 1.167 1080 H CB 4.307 34.065 29.762 -0.007 0.000 1.732 1080 H HN 0.158 8.546 8.280 0.181 0.000 0.544 1081 V N 0.046 119.981 119.914 0.035 0.000 2.638 1081 V HA 0.465 4.912 4.120 0.248 -0.178 0.306 1081 V C -1.708 174.529 176.094 0.238 0.000 1.052 1081 V CA -1.383 60.996 62.300 0.132 0.000 0.885 1081 V CB 2.917 34.759 31.823 0.031 0.000 0.999 1081 V HN 0.256 8.396 8.190 -0.083 0.000 0.424 1082 Q N 4.279 124.314 119.800 0.393 0.000 2.353 1082 Q HA 0.575 5.333 4.340 0.492 -0.123 0.268 1082 Q C -1.105 175.159 176.000 0.439 0.000 1.045 1082 Q CA -1.607 54.452 55.803 0.428 0.000 0.811 1082 Q CB 3.945 32.850 28.738 0.279 0.000 1.305 1082 Q HN 0.454 8.949 8.270 0.376 0.000 0.447 1083 L N 3.076 124.539 121.223 0.401 0.000 2.343 1083 L HA 0.797 5.482 4.340 0.233 -0.205 0.275 1083 L C -0.208 176.750 176.870 0.146 0.000 1.056 1083 L CA -0.699 54.275 54.840 0.224 0.000 0.804 1083 L CB 1.518 43.628 42.059 0.085 0.000 1.203 1083 L HN 0.178 8.689 8.230 0.468 0.000 0.440 1084 S N 0.687 116.438 115.700 0.085 0.000 2.727 1084 S HA 0.232 4.700 4.470 -0.004 0.000 0.278 1084 S C -1.621 172.976 174.600 -0.004 0.000 1.186 1084 S CA -0.809 57.406 58.200 0.024 0.000 0.836 1084 S CB 2.321 65.539 63.200 0.030 0.000 1.186 1084 S HN 0.423 8.789 8.310 0.093 0.000 0.499 1085 N N -1.433 117.247 118.700 -0.034 0.000 2.705 1085 N HA -0.190 4.506 4.740 -0.072 0.000 0.255 1085 N C -2.106 173.352 175.510 -0.087 0.000 1.008 1085 N CA 0.353 53.366 53.050 -0.061 0.000 0.742 1085 N CB -1.760 36.695 38.487 -0.054 0.000 0.906 1085 N HN 0.394 8.752 8.380 -0.038 0.000 0.541 1086 P HA 0.184 4.739 4.420 -0.097 -0.193 0.271 1086 P C -0.450 176.725 177.300 -0.209 0.000 1.216 1086 P CA -0.210 62.812 63.100 -0.130 0.000 0.771 1086 P CB 0.752 32.367 31.700 -0.141 0.000 0.864 1087 K N 1.691 121.930 120.400 -0.269 0.000 2.444 1087 K HA 0.226 4.301 4.320 -0.408 0.000 0.252 1087 K C -0.780 175.604 176.600 -0.360 0.000 0.993 1087 K CA -1.228 54.764 56.287 -0.492 0.000 0.847 1087 K CB 3.466 35.401 32.500 -0.941 0.000 1.340 1087 K HN 0.244 8.370 8.250 -0.207 0.000 0.446 1088 F N -3.549 116.373 119.950 -0.047 0.000 3.018 1088 F HA -0.308 4.202 4.527 -0.028 0.000 0.287 1088 F C 0.074 175.841 175.800 -0.055 0.000 0.813 1088 F CA 0.231 58.211 58.000 -0.035 0.000 1.209 1088 F CB -2.516 36.478 39.000 -0.009 0.000 1.321 1088 F HN 0.604 8.670 8.300 -0.390 0.000 0.477 1089 G N -6.168 102.630 108.800 -0.003 0.000 2.176 1089 G HA2 -0.396 3.501 3.960 -0.106 0.000 0.232 1089 G HA3 -0.396 3.570 3.960 0.010 0.000 0.232 1089 G C -0.906 173.865 174.900 -0.215 0.000 0.986 1089 G CA -0.287 44.770 45.100 -0.071 0.000 0.643 1089 G HN 0.093 8.308 8.290 -0.077 0.029 0.522 1090 A N -0.263 122.433 122.820 -0.206 0.000 2.406 1090 A HA 0.030 4.415 4.320 -0.120 -0.137 0.243 1090 A C -1.196 176.083 177.584 -0.508 0.000 1.082 1090 A CA 0.337 52.244 52.037 -0.216 0.000 0.786 1090 A CB 1.332 20.266 19.000 -0.110 0.000 1.029 1090 A HN -0.841 7.178 8.150 -0.137 0.049 0.495 1091 H N -1.698 117.346 119.070 -0.042 0.000 2.895 1091 H HA 0.241 4.773 4.556 -0.040 0.000 0.373 1091 H C -1.199 174.104 175.328 -0.042 0.000 1.174 1091 H CA -1.600 54.424 56.048 -0.039 0.000 1.144 1091 H CB 3.832 33.576 29.762 -0.030 0.000 1.793 1091 H HN 0.032 8.313 8.280 0.001 0.000 0.551 1092 L N 2.109 123.381 121.223 0.082 0.000 2.276 1092 L HA 0.433 4.975 4.340 0.037 -0.180 0.286 1092 L C 0.529 177.452 176.870 0.087 0.000 1.061 1092 L CA -0.150 54.720 54.840 0.049 0.000 0.807 1092 L CB 0.419 42.471 42.059 -0.011 0.000 1.177 1092 L HN 0.356 8.634 8.230 0.080 0.000 0.429 1093 G N 2.852 111.709 108.800 0.094 0.000 2.671 1093 G HA2 0.197 4.213 3.960 0.092 0.000 0.275 1093 G HA3 0.197 4.200 3.960 0.071 0.000 0.275 1093 G C -1.937 173.061 174.900 0.164 0.000 1.368 1093 G CA -0.723 44.438 45.100 0.102 0.000 1.044 1093 G HN 0.372 8.599 8.290 0.075 0.108 0.543 1094 Q N -1.083 118.785 119.800 0.114 0.000 2.316 1094 Q HA 0.385 4.785 4.340 0.100 0.000 0.264 1094 Q C -1.372 174.666 176.000 0.064 0.000 0.987 1094 Q CA -2.632 53.224 55.803 0.089 0.000 0.852 1094 Q CB 0.865 29.638 28.738 0.058 0.000 1.287 1094 Q HN 0.025 8.344 8.270 0.082 0.000 0.448 1095 P HA 0.236 4.616 4.420 -0.066 0.000 0.288 1095 P C -1.109 176.279 177.300 0.147 0.000 1.267 1095 P CA -0.553 62.566 63.100 0.032 0.000 0.815 1095 P CB 1.610 33.333 31.700 0.037 0.000 0.989 1096 H N -2.223 116.969 119.070 0.203 0.000 2.586 1096 H HA 0.165 4.821 4.556 0.167 0.000 0.273 1096 H C -1.245 174.329 175.328 0.410 0.000 0.997 1096 H CA -0.616 55.564 56.048 0.220 0.000 1.177 1096 H CB 0.618 30.450 29.762 0.116 0.000 1.471 1096 H HN 0.540 8.487 8.280 -0.554 0.000 0.538 1097 S N -1.843 113.996 115.700 0.232 0.000 2.548 1097 S HA 0.942 5.863 4.470 0.456 -0.178 0.276 1097 S C -1.389 173.229 174.600 0.030 0.000 1.129 1097 S CA -1.340 57.010 58.200 0.249 0.000 0.931 1097 S CB 2.222 65.498 63.200 0.127 0.000 1.068 1097 S HN -0.739 7.512 8.310 -0.028 0.043 0.480 1098 T N 3.014 117.420 114.554 -0.246 0.000 2.916 1098 T HA 0.439 4.824 4.350 -0.163 -0.133 0.292 1098 T C -1.337 173.230 174.700 -0.222 0.000 1.064 1098 T CA -2.057 59.860 62.100 -0.305 0.000 1.011 1098 T CB 1.577 70.105 68.868 -0.566 0.000 1.152 1098 T HN 0.523 8.564 8.240 -0.332 0.000 0.510 1099 T N 7.364 121.798 114.554 -0.201 0.000 2.807 1099 T HA 0.570 4.823 4.350 -0.450 -0.173 0.279 1099 T C -1.422 173.046 174.700 -0.386 0.000 0.993 1099 T CA -0.438 61.471 62.100 -0.318 0.000 0.970 1099 T CB 1.660 70.411 68.868 -0.195 0.000 0.950 1099 T HN 0.079 8.209 8.240 -0.184 0.000 0.441 1100 I N 6.667 126.822 120.570 -0.693 0.000 2.312 1100 I HA 0.370 4.481 4.170 -0.366 -0.161 0.290 1100 I C -1.295 174.505 176.117 -0.528 0.000 1.008 1100 I CA -2.725 58.168 61.300 -0.677 0.000 1.226 1100 I CB -0.190 37.054 38.000 -1.260 0.000 1.371 1100 I HN 0.858 8.495 8.210 -0.955 0.000 0.468 1101 I N 8.087 128.504 120.570 -0.256 0.000 2.312 1101 I HA 0.212 4.406 4.170 -0.158 -0.119 0.290 1101 I C -1.204 174.871 176.117 -0.070 0.000 1.008 1101 I CA -0.512 60.700 61.300 -0.147 0.000 1.226 1101 I CB 1.013 38.951 38.000 -0.104 0.000 1.371 1101 I HN 0.710 8.806 8.210 -0.189 0.000 0.468 1102 I N 8.147 128.705 120.570 -0.020 0.000 2.307 1102 I HA 0.314 4.658 4.170 0.031 -0.155 0.289 1102 I C -1.089 175.043 176.117 0.026 0.000 1.021 1102 I CA -0.719 60.602 61.300 0.034 0.000 1.224 1102 I CB 0.162 38.223 38.000 0.102 0.000 1.376 1102 I HN 0.886 9.086 8.210 -0.016 0.000 0.470 1103 R N 6.242 126.754 120.500 0.020 0.000 2.787 1103 R HA 0.652 5.139 4.340 0.016 -0.138 0.271 1103 R C -0.868 175.445 176.300 0.021 0.000 0.993 1103 R CA -2.198 53.912 56.100 0.016 0.000 0.993 1103 R CB 3.306 33.610 30.300 0.006 0.000 1.155 1103 R HN 0.384 8.665 8.270 0.020 0.000 0.486 1104 D N 2.866 123.277 120.400 0.018 0.000 2.368 1104 D HA 0.079 4.731 4.640 0.020 0.000 0.240 1104 D C -1.230 175.078 176.300 0.014 0.000 1.169 1104 D CA -0.681 53.329 54.000 0.017 0.000 0.906 1104 D CB 0.020 40.829 40.800 0.015 0.000 1.187 1104 D HN -0.410 7.969 8.370 0.016 0.000 0.435 1105 P HA -0.127 4.300 4.420 0.012 0.000 0.262 1105 P C -1.162 176.143 177.300 0.009 0.000 1.182 1105 P CA 0.413 63.520 63.100 0.011 0.000 0.761 1105 P CB 0.416 32.122 31.700 0.011 0.000 0.795 1106 D N 4.482 124.886 120.400 0.007 0.000 2.468 1106 D HA 0.159 4.802 4.640 0.005 0.000 0.218 1106 D C -0.877 175.426 176.300 0.005 0.000 1.155 1106 D CA -0.246 53.758 54.000 0.005 0.000 0.924 1106 D CB -0.416 40.386 40.800 0.003 0.000 1.029 1106 D HN 0.158 8.533 8.370 0.007 0.000 0.515 1107 E N 0.000 120.203 120.200 0.005 0.000 2.725 1107 E HA 0.000 4.353 4.350 0.005 0.000 0.291 1107 E CA 0.000 56.403 56.400 0.005 0.000 0.976 1107 E CB 0.000 29.703 29.700 0.005 0.000 0.812 1107 E HN 0.000 8.363 8.360 0.005 0.000 0.440