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 2kmx_1_A DATA FIRST_RESID 1047 DATA SEQUENCE SFTMHGTPVV NQVKVLTESN RISHHKILAI VGTAESNSEH PLGTAITKYC DATA SEQUENCE KQELDTETLG TCIDFQVVPG CGISCKVTNI EGLLHKNNWN IEDNNIKNAS DATA SEQUENCE LVQIDASNEQ SSTSSSMIID AQISNALNAQ QYKVLIGNRE WMIRNGLVIN DATA SEQUENCE NDVNDFMTEH ERKGRTAVLV AVDDELCGLI AIADT 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 1047 S HA 0.000 4.522 4.470 0.086 0.000 0.327 1047 S C 0.000 174.727 174.600 0.212 0.000 1.055 1047 S CA 0.000 58.264 58.200 0.108 0.000 1.107 1047 S CB 0.000 63.249 63.200 0.081 0.000 0.593 1048 F N 2.463 122.406 119.950 -0.012 0.000 2.715 1048 F HA 0.383 4.913 4.527 0.004 0.000 0.318 1048 F C -1.039 174.735 175.800 -0.044 0.000 1.141 1048 F CA -0.247 57.745 58.000 -0.014 0.000 0.950 1048 F CB 1.242 40.232 39.000 -0.017 0.000 1.374 1048 F HN -0.288 8.108 8.300 0.161 0.000 0.477 1049 T N 4.185 118.175 114.554 -0.939 0.000 2.898 1049 T HA 0.188 4.214 4.350 -0.539 0.000 0.301 1049 T C -1.228 173.121 174.700 -0.587 0.000 1.049 1049 T CA 0.375 62.040 62.100 -0.725 0.000 1.095 1049 T CB 0.554 69.032 68.868 -0.650 0.000 0.976 1049 T HN 0.077 7.016 8.240 -2.169 0.000 0.539 1050 M N 2.177 121.426 119.600 -0.585 0.000 4.935 1050 M HA 0.282 4.614 4.480 -0.248 0.000 0.606 1050 M C -1.499 174.610 176.300 -0.318 0.000 2.179 1050 M CA -0.406 54.679 55.300 -0.359 0.000 0.481 1050 M CB -0.760 31.696 32.600 -0.240 0.000 1.473 1050 M HN -0.058 7.648 8.290 -0.973 0.000 0.645 1051 H N 1.347 120.356 119.070 -0.101 0.000 2.470 1051 H HA 0.079 4.602 4.556 -0.055 0.000 0.289 1051 H C 1.821 177.118 175.328 -0.050 0.000 1.033 1051 H CA 1.466 57.473 56.048 -0.069 0.000 1.331 1051 H CB 0.398 30.116 29.762 -0.074 0.000 1.414 1051 H HN -0.673 7.435 8.280 -0.287 0.000 0.545 1052 G N -0.340 108.486 108.800 0.044 0.000 3.101 1052 G HA2 -0.024 3.954 3.960 0.030 0.000 0.272 1052 G HA3 -0.024 3.943 3.960 0.012 0.000 0.272 1052 G C -0.532 174.371 174.900 0.006 0.000 0.801 1052 G CA -0.671 44.442 45.100 0.021 0.000 1.978 1052 G HN 0.086 8.387 8.290 0.018 0.000 0.591 1053 T N 5.894 120.454 114.554 0.009 0.000 2.870 1053 T HA 0.094 4.441 4.350 -0.006 0.000 0.300 1053 T C -1.525 173.174 174.700 -0.001 0.000 0.989 1053 T CA -0.950 61.150 62.100 0.001 0.000 1.139 1053 T CB 0.580 69.451 68.868 0.004 0.000 0.920 1053 T HN -0.416 7.773 8.240 0.021 0.064 0.537 1054 P HA 0.672 5.273 4.420 -0.012 -0.188 0.290 1054 P C -1.191 176.098 177.300 -0.018 0.000 1.275 1054 P CA -1.539 61.555 63.100 -0.010 0.000 0.841 1054 P CB 1.226 32.922 31.700 -0.006 0.000 1.042 1055 V N -2.461 117.434 119.914 -0.033 0.000 2.638 1055 V HA 0.443 4.536 4.120 -0.046 0.000 0.306 1055 V C -1.247 174.793 176.094 -0.090 0.000 1.052 1055 V CA -1.921 60.349 62.300 -0.050 0.000 0.885 1055 V CB 2.895 34.695 31.823 -0.038 0.000 0.999 1055 V HN 0.948 9.118 8.190 -0.033 0.000 0.424 1056 V N 7.163 126.991 119.914 -0.143 0.000 2.521 1056 V HA -0.147 3.865 4.120 -0.179 0.000 0.286 1056 V C -0.928 175.016 176.094 -0.250 0.000 1.034 1056 V CA 0.596 62.755 62.300 -0.235 0.000 1.045 1056 V CB 0.570 32.173 31.823 -0.367 0.000 0.974 1056 V HN 0.272 8.382 8.190 -0.133 0.000 0.480 1057 N N 7.542 126.124 118.700 -0.196 0.000 2.503 1057 N HA 0.231 4.902 4.740 -0.116 0.000 0.210 1057 N C -1.081 174.369 175.510 -0.100 0.000 1.077 1057 N CA 0.964 53.935 53.050 -0.132 0.000 0.855 1057 N CB 2.246 40.674 38.487 -0.099 0.000 1.323 1057 N HN 0.581 8.851 8.380 -0.184 0.000 0.452 1058 Q N -1.709 118.027 119.800 -0.106 0.000 2.377 1058 Q HA 0.223 4.570 4.340 0.011 0.000 0.279 1058 Q C -2.564 173.440 176.000 0.007 0.000 1.049 1058 Q CA -0.418 55.378 55.803 -0.011 0.000 0.825 1058 Q CB 3.604 32.385 28.738 0.071 0.000 1.401 1058 Q HN -0.110 8.071 8.270 -0.149 0.000 0.404 1059 V N -1.341 118.612 119.914 0.065 0.000 2.735 1059 V HA 0.973 5.300 4.120 0.054 -0.175 0.310 1059 V C -1.295 174.834 176.094 0.058 0.000 1.061 1059 V CA -2.975 59.369 62.300 0.074 0.000 0.913 1059 V CB 2.673 34.568 31.823 0.119 0.000 1.005 1059 V HN 0.223 8.465 8.190 0.087 0.000 0.428 1060 K N 4.922 125.320 120.400 -0.004 0.000 2.464 1060 K HA 0.380 4.659 4.320 -0.069 0.000 0.253 1060 K C -2.000 174.556 176.600 -0.073 0.000 0.933 1060 K CA -1.303 54.928 56.287 -0.095 0.000 0.801 1060 K CB 4.143 36.456 32.500 -0.313 0.000 1.271 1060 K HN 0.497 8.749 8.250 0.002 0.000 0.430 1061 V N 4.699 124.575 119.914 -0.063 0.000 2.644 1061 V HA 0.106 4.323 4.120 -0.015 -0.106 0.295 1061 V C -0.654 175.405 176.094 -0.059 0.000 1.053 1061 V CA 0.486 62.766 62.300 -0.034 0.000 0.987 1061 V CB 0.980 32.802 31.823 -0.002 0.000 1.006 1061 V HN 0.445 8.591 8.190 -0.073 0.000 0.472 1062 L N 4.718 125.918 121.223 -0.039 0.000 2.694 1062 L HA 0.433 4.743 4.340 -0.050 0.000 0.228 1062 L C 1.095 177.954 176.870 -0.018 0.000 1.048 1062 L CA 1.663 56.481 54.840 -0.037 0.000 0.887 1062 L CB 1.709 43.746 42.059 -0.037 0.000 1.265 1062 L HN 0.927 9.037 8.230 -0.023 0.107 0.492 1063 T N 3.516 118.066 114.554 -0.007 0.000 3.434 1063 T HA -0.136 4.214 4.350 0.001 0.000 0.249 1063 T C -1.064 173.641 174.700 0.007 0.000 1.050 1063 T CA -0.578 61.524 62.100 0.003 0.000 0.952 1063 T CB -1.150 67.724 68.868 0.011 0.000 1.046 1063 T HN -0.566 7.567 8.240 -0.006 0.103 0.590 1064 E N 1.775 121.976 120.200 0.001 0.000 2.529 1064 E HA -0.283 4.075 4.350 0.014 0.000 0.259 1064 E C 0.142 176.747 176.600 0.008 0.000 0.966 1064 E CA 1.707 58.110 56.400 0.004 0.000 0.937 1064 E CB -0.101 29.594 29.700 -0.009 0.000 0.923 1064 E HN -0.839 7.405 8.360 -0.008 0.111 0.468 1065 S N 2.790 118.500 115.700 0.015 0.000 2.868 1065 S HA -0.444 4.038 4.470 0.021 0.000 0.270 1065 S C -0.109 174.501 174.600 0.016 0.000 1.300 1065 S CA 2.687 60.896 58.200 0.016 0.000 1.362 1065 S CB -0.488 62.718 63.200 0.010 0.000 1.685 1065 S HN 0.690 9.013 8.310 0.022 0.000 0.682 1066 N N -1.536 117.173 118.700 0.016 0.000 2.432 1066 N HA -0.032 4.716 4.740 0.014 0.000 0.174 1066 N C 0.721 176.245 175.510 0.024 0.000 1.037 1066 N CA 1.795 54.855 53.050 0.017 0.000 0.892 1066 N CB 1.390 39.885 38.487 0.012 0.000 1.049 1066 N HN -0.286 8.003 8.380 0.016 0.100 0.442 1067 R N -1.706 118.813 120.500 0.032 0.000 4.897 1067 R HA 0.116 4.487 4.340 0.052 0.000 0.090 1067 R C -1.255 175.078 176.300 0.054 0.000 0.661 1067 R CA 0.611 56.742 56.100 0.051 0.000 1.205 1067 R CB 2.132 32.468 30.300 0.060 0.000 1.492 1067 R HN -0.670 7.618 8.270 0.029 0.000 0.398 1068 I N 0.690 121.282 120.570 0.037 0.000 2.608 1068 I HA 0.180 4.350 4.170 -0.001 0.000 0.295 1068 I C -1.309 174.817 176.117 0.015 0.000 1.049 1068 I CA -0.885 60.419 61.300 0.007 0.000 1.063 1068 I CB 2.728 40.712 38.000 -0.026 0.000 1.248 1068 I HN 0.005 8.236 8.210 0.035 0.000 0.424 1069 S N 3.144 118.854 115.700 0.017 0.000 2.690 1069 S HA 0.357 4.888 4.470 0.102 0.000 0.291 1069 S C 1.015 175.663 174.600 0.079 0.000 1.138 1069 S CA -2.048 56.202 58.200 0.083 0.000 1.013 1069 S CB 3.044 66.318 63.200 0.123 0.000 1.053 1069 S HN 0.207 8.508 8.310 -0.014 0.000 0.539 1070 H N 3.254 122.338 119.070 0.022 0.000 2.357 1070 H HA -0.421 4.146 4.556 0.018 0.000 0.296 1070 H C 1.236 176.601 175.328 0.061 0.000 1.108 1070 H CA 3.558 59.627 56.048 0.034 0.000 1.273 1070 H CB -0.613 29.173 29.762 0.040 0.000 1.367 1070 H HN 0.597 9.115 8.280 0.396 0.000 0.498 1071 H N 0.102 118.717 119.070 -0.760 0.000 2.363 1071 H HA -0.212 4.034 4.556 -0.517 0.000 0.301 1071 H C 2.418 177.580 175.328 -0.277 0.000 1.074 1071 H CA 2.791 58.496 56.048 -0.571 0.000 1.354 1071 H CB -0.070 29.314 29.762 -0.629 0.000 1.397 1071 H HN 0.400 8.186 8.280 -0.799 0.015 0.516 1072 K N -0.222 119.953 120.400 -0.376 0.000 2.148 1072 K HA -0.267 3.777 4.320 -0.460 0.000 0.204 1072 K C 2.125 178.581 176.600 -0.241 0.000 1.050 1072 K CA 2.932 59.006 56.287 -0.354 0.000 0.942 1072 K CB -0.410 31.920 32.500 -0.283 0.000 0.724 1072 K HN -0.580 7.514 8.250 -0.260 0.000 0.446 1073 I N -0.827 119.651 120.570 -0.153 0.000 2.127 1073 I HA -0.466 3.626 4.170 -0.131 0.000 0.241 1073 I C 1.584 177.655 176.117 -0.077 0.000 1.075 1073 I CA 4.448 65.689 61.300 -0.099 0.000 1.334 1073 I CB 0.024 38.007 38.000 -0.029 0.000 1.040 1073 I HN 0.050 8.184 8.210 -0.126 0.000 0.405 1074 L N -2.739 118.454 121.223 -0.051 0.000 2.201 1074 L HA -0.173 4.189 4.340 0.037 0.000 0.212 1074 L C 1.609 178.445 176.870 -0.058 0.000 1.105 1074 L CA 3.151 57.986 54.840 -0.009 0.000 0.775 1074 L CB -1.246 40.828 42.059 0.023 0.000 0.913 1074 L HN -0.152 8.045 8.230 -0.056 0.000 0.440 1075 A N 0.983 123.726 122.820 -0.129 0.000 1.877 1075 A HA -0.196 4.060 4.320 -0.106 0.000 0.216 1075 A C 2.436 179.944 177.584 -0.128 0.000 1.186 1075 A CA 2.720 54.669 52.037 -0.147 0.000 0.620 1075 A CB -0.322 18.530 19.000 -0.247 0.000 0.822 1075 A HN -0.117 7.929 8.150 -0.174 0.000 0.443 1076 I N -4.677 115.798 120.570 -0.159 0.000 2.353 1076 I HA -0.123 3.963 4.170 -0.140 0.000 0.248 1076 I C 2.037 178.097 176.117 -0.094 0.000 1.119 1076 I CA 2.969 64.177 61.300 -0.154 0.000 1.417 1076 I CB -0.205 37.645 38.000 -0.250 0.000 1.078 1076 I HN 0.031 8.126 8.210 -0.192 0.000 0.421 1077 V N 2.153 122.025 119.914 -0.070 0.000 2.307 1077 V HA -0.450 3.647 4.120 -0.038 0.000 0.245 1077 V C 2.119 178.208 176.094 -0.008 0.000 1.045 1077 V CA 5.067 67.347 62.300 -0.032 0.000 1.024 1077 V CB -0.562 31.253 31.823 -0.013 0.000 0.651 1077 V HN -0.041 8.101 8.190 -0.079 0.000 0.449 1078 G N -2.407 106.392 108.800 -0.002 0.000 2.422 1078 G HA2 -0.256 3.725 3.960 0.035 0.000 0.218 1078 G HA3 -0.256 3.714 3.960 0.016 0.000 0.218 1078 G C 0.967 175.867 174.900 -0.000 0.000 1.140 1078 G CA 2.663 47.772 45.100 0.014 0.000 0.775 1078 G HN 0.196 8.478 8.290 -0.013 0.000 0.545 1079 T N 0.508 115.049 114.554 -0.022 0.000 2.942 1079 T HA -0.297 4.044 4.350 -0.014 0.000 0.265 1079 T C 1.427 176.119 174.700 -0.013 0.000 1.062 1079 T CA 3.012 65.098 62.100 -0.023 0.000 1.139 1079 T CB -0.475 68.368 68.868 -0.041 0.000 0.883 1079 T HN -0.135 8.082 8.240 -0.040 0.000 0.468 1080 A N 2.279 125.090 122.820 -0.014 0.000 1.858 1080 A HA -0.281 4.039 4.320 0.000 0.000 0.216 1080 A C 2.517 180.115 177.584 0.024 0.000 1.190 1080 A CA 2.672 54.710 52.037 0.002 0.000 0.617 1080 A CB -0.703 18.295 19.000 -0.004 0.000 0.827 1080 A HN -0.241 7.893 8.150 -0.027 0.000 0.443 1081 E N -2.407 117.810 120.200 0.029 0.000 2.274 1081 E HA -0.199 4.196 4.350 0.075 0.000 0.194 1081 E C 2.804 179.433 176.600 0.050 0.000 0.996 1081 E CA 2.053 58.485 56.400 0.053 0.000 0.840 1081 E CB -0.528 29.203 29.700 0.053 0.000 0.772 1081 E HN 0.013 8.383 8.360 0.017 0.000 0.491 1082 S N -0.850 114.868 115.700 0.030 0.000 2.474 1082 S HA -0.185 4.302 4.470 0.028 0.000 0.235 1082 S C 0.493 175.103 174.600 0.017 0.000 0.997 1082 S CA 2.318 60.532 58.200 0.022 0.000 0.949 1082 S CB 0.006 63.212 63.200 0.011 0.000 0.766 1082 S HN -0.215 8.093 8.310 0.021 0.015 0.517 1083 N N -1.638 117.070 118.700 0.012 0.000 2.181 1083 N HA 0.127 4.861 4.740 -0.011 0.000 0.207 1083 N C -0.178 175.322 175.510 -0.015 0.000 1.182 1083 N CA -0.101 52.943 53.050 -0.011 0.000 0.893 1083 N CB 1.935 40.405 38.487 -0.029 0.000 1.032 1083 N HN -0.392 7.827 8.380 0.017 0.171 0.513 1084 S N 0.106 115.836 115.700 0.051 0.000 2.646 1084 S HA 0.051 4.592 4.470 0.117 0.000 0.273 1084 S C -1.327 173.382 174.600 0.181 0.000 1.168 1084 S CA -0.366 57.927 58.200 0.155 0.000 1.013 1084 S CB 0.680 64.025 63.200 0.240 0.000 1.098 1084 S HN -0.537 7.704 8.310 0.058 0.104 0.544 1085 E N -0.269 120.111 120.200 0.300 0.000 3.191 1085 E HA 0.226 4.661 4.350 0.142 0.000 0.192 1085 E C -1.301 175.410 176.600 0.184 0.000 0.972 1085 E CA -0.628 55.900 56.400 0.213 0.000 1.266 1085 E CB -0.487 29.324 29.700 0.184 0.000 1.076 1085 E HN 0.229 8.877 8.360 0.480 0.000 0.462 1086 H N 1.941 121.074 119.070 0.105 0.000 2.495 1086 H HA 0.399 5.001 4.556 0.076 0.000 0.350 1086 H C -0.550 174.810 175.328 0.053 0.000 1.202 1086 H CA -1.840 54.255 56.048 0.078 0.000 1.322 1086 H CB 1.236 31.044 29.762 0.076 0.000 1.544 1086 H HN -0.255 8.238 8.280 0.355 0.000 0.565 1087 P HA 0.118 4.551 4.420 0.021 0.000 0.234 1087 P C -1.033 176.300 177.300 0.055 0.000 1.175 1087 P CA 1.350 64.471 63.100 0.034 0.000 0.801 1087 P CB 1.010 32.708 31.700 -0.003 0.000 0.891 1088 L N -1.973 119.306 121.223 0.092 0.000 2.435 1088 L HA 0.189 4.553 4.340 0.041 0.000 0.195 1088 L C 1.928 178.833 176.870 0.058 0.000 1.072 1088 L CA 1.272 56.152 54.840 0.066 0.000 0.833 1088 L CB 0.270 42.374 42.059 0.076 0.000 1.081 1088 L HN -0.159 8.159 8.230 0.147 0.000 0.485 1089 G N -2.136 106.711 108.800 0.079 0.000 2.470 1089 G HA2 -0.376 3.604 3.960 0.033 0.000 0.220 1089 G HA3 -0.376 3.712 3.960 0.052 -0.097 0.220 1089 G C 0.854 175.788 174.900 0.057 0.000 1.121 1089 G CA 2.425 47.558 45.100 0.054 0.000 0.766 1089 G HN 0.558 8.918 8.290 0.116 0.000 0.553 1090 T N 1.699 116.295 114.554 0.070 0.000 2.977 1090 T HA -0.317 4.070 4.350 0.061 0.000 0.271 1090 T C 1.256 175.985 174.700 0.049 0.000 1.105 1090 T CA 1.952 64.088 62.100 0.061 0.000 1.116 1090 T CB -1.278 67.627 68.868 0.062 0.000 0.878 1090 T HN -0.436 7.846 8.240 0.089 0.011 0.509 1091 A N 1.052 123.894 122.820 0.036 0.000 1.933 1091 A HA -0.247 4.090 4.320 0.027 0.000 0.218 1091 A C 1.587 179.199 177.584 0.046 0.000 1.175 1091 A CA 2.791 54.842 52.037 0.023 0.000 0.628 1091 A CB -0.582 18.412 19.000 -0.010 0.000 0.814 1091 A HN -0.377 7.760 8.150 0.034 0.034 0.444 1092 I N -2.334 118.270 120.570 0.058 0.000 2.439 1092 I HA -0.448 3.839 4.170 0.194 0.000 0.251 1092 I C 1.635 177.832 176.117 0.132 0.000 1.139 1092 I CA 3.144 64.519 61.300 0.125 0.000 1.438 1092 I CB -0.318 37.741 38.000 0.098 0.000 1.085 1092 I HN -0.086 8.018 8.210 0.043 0.132 0.427 1093 T N 3.654 118.257 114.554 0.082 0.000 2.635 1093 T HA -0.534 3.972 4.350 0.051 -0.125 0.267 1093 T C 1.678 176.421 174.700 0.072 0.000 1.040 1093 T CA 5.188 67.326 62.100 0.064 0.000 1.156 1093 T CB -0.489 68.409 68.868 0.049 0.000 0.863 1093 T HN -0.553 7.648 8.240 0.068 0.080 0.430 1094 K N 1.384 121.834 120.400 0.083 0.000 2.026 1094 K HA -0.411 3.946 4.320 0.062 0.000 0.208 1094 K C 1.539 178.221 176.600 0.135 0.000 1.048 1094 K CA 3.508 59.847 56.287 0.088 0.000 0.929 1094 K CB -0.162 32.384 32.500 0.075 0.000 0.713 1094 K HN -0.544 7.751 8.250 0.076 0.000 0.439 1095 Y N 0.105 120.411 120.300 0.009 0.000 2.165 1095 Y HA -0.396 4.161 4.550 0.011 0.000 0.286 1095 Y C 2.235 178.141 175.900 0.011 0.000 1.155 1095 Y CA 2.492 60.599 58.100 0.011 0.000 1.164 1095 Y CB -0.243 38.224 38.460 0.012 0.000 0.978 1095 Y HN -0.510 7.921 8.280 0.252 0.000 0.513 1096 C N -0.677 118.640 119.300 0.029 0.000 2.462 1096 C HA -0.623 3.747 4.460 -0.150 0.000 0.278 1096 C C 1.506 176.474 174.990 -0.037 0.000 1.253 1096 C CA 4.201 63.185 59.018 -0.058 0.000 1.713 1096 C CB -0.045 27.688 27.740 -0.012 0.000 2.049 1096 C HN 0.400 8.715 8.230 0.142 0.000 0.477 1097 K N 0.026 120.427 120.400 0.002 0.000 2.063 1097 K HA -0.388 3.928 4.320 -0.006 0.000 0.208 1097 K C 2.307 178.905 176.600 -0.004 0.000 1.048 1097 K CA 3.243 59.531 56.287 0.002 0.000 0.928 1097 K CB -0.280 32.229 32.500 0.016 0.000 0.713 1097 K HN 0.020 8.286 8.250 0.027 0.000 0.442 1098 Q N -1.892 117.910 119.800 0.004 0.000 2.167 1098 Q HA -0.218 4.125 4.340 0.005 0.000 0.202 1098 Q C 1.964 177.947 176.000 -0.029 0.000 0.970 1098 Q CA 2.711 58.515 55.803 0.002 0.000 0.855 1098 Q CB -0.575 28.182 28.738 0.033 0.000 0.911 1098 Q HN 0.259 8.542 8.270 0.022 0.000 0.438 1099 E N -0.714 119.443 120.200 -0.072 0.000 2.028 1099 E HA -0.191 4.103 4.350 -0.094 0.000 0.190 1099 E C 1.101 177.663 176.600 -0.063 0.000 0.984 1099 E CA 1.635 57.975 56.400 -0.101 0.000 0.800 1099 E CB -0.391 29.198 29.700 -0.184 0.000 0.758 1099 E HN -0.515 7.707 8.360 -0.085 0.088 0.448 1100 L N -2.755 118.442 121.223 -0.044 0.000 2.291 1100 L HA -0.171 4.158 4.340 -0.019 0.000 0.214 1100 L C 0.245 177.104 176.870 -0.018 0.000 1.120 1100 L CA 0.808 55.635 54.840 -0.023 0.000 0.799 1100 L CB 0.509 42.559 42.059 -0.015 0.000 0.925 1100 L HN -0.080 8.121 8.230 -0.048 0.000 0.446 1101 D N -3.886 116.503 120.400 -0.017 0.000 2.723 1101 D HA -0.252 4.383 4.640 -0.008 0.000 0.236 1101 D C -0.452 175.844 176.300 -0.007 0.000 1.138 1101 D CA 1.584 55.578 54.000 -0.011 0.000 0.676 1101 D CB -0.831 39.962 40.800 -0.013 0.000 1.069 1101 D HN -0.410 7.915 8.370 -0.020 0.033 0.430 1102 T N -1.964 112.587 114.554 -0.006 0.000 3.098 1102 T HA 0.050 4.398 4.350 -0.004 0.000 0.256 1102 T C 0.703 175.402 174.700 -0.002 0.000 0.921 1102 T CA 0.737 62.835 62.100 -0.004 0.000 0.916 1102 T CB 0.858 69.722 68.868 -0.006 0.000 1.246 1102 T HN -0.428 7.808 8.240 -0.007 0.000 0.511 1103 E N -0.185 120.015 120.200 -0.001 0.000 4.570 1103 E HA -0.365 3.987 4.350 0.003 0.000 0.259 1103 E C -0.043 176.557 176.600 0.000 0.000 0.782 1103 E CA 2.179 58.581 56.400 0.002 0.000 1.422 1103 E CB -0.469 29.233 29.700 0.003 0.000 1.734 1103 E HN 0.630 8.989 8.360 -0.002 0.000 0.390 1104 T N -0.435 114.118 114.554 -0.002 0.000 3.624 1104 T HA -0.015 4.334 4.350 -0.001 0.000 0.231 1104 T C 0.015 174.712 174.700 -0.005 0.000 0.865 1104 T CA 0.226 62.324 62.100 -0.002 0.000 0.926 1104 T CB -1.005 67.862 68.868 -0.002 0.000 1.189 1104 T HN -0.382 7.738 8.240 -0.002 0.118 0.640 1105 L N -1.281 119.939 121.223 -0.006 0.000 2.344 1105 L HA 0.484 4.815 4.340 -0.015 0.000 0.272 1105 L C -0.455 176.410 176.870 -0.009 0.000 1.035 1105 L CA -0.295 54.538 54.840 -0.011 0.000 0.807 1105 L CB 1.933 43.983 42.059 -0.015 0.000 1.237 1105 L HN -0.577 7.563 8.230 -0.003 0.088 0.442 1106 G N 0.198 108.990 108.800 -0.014 0.000 3.322 1106 G HA2 -0.206 3.819 3.960 -0.017 0.000 0.686 1106 G HA3 -0.206 3.784 3.960 -0.008 -0.035 0.686 1106 G C -0.843 174.052 174.900 -0.008 0.000 1.015 1106 G CA -0.286 44.807 45.100 -0.012 0.000 0.826 1106 G HN 0.224 8.501 8.290 -0.021 0.000 0.538 1107 T N 1.770 116.319 114.554 -0.008 0.000 2.724 1107 T HA 0.396 4.748 4.350 0.004 0.000 0.274 1107 T C -0.560 174.139 174.700 -0.002 0.000 0.984 1107 T CA -2.022 60.078 62.100 -0.000 0.000 1.024 1107 T CB 3.079 71.948 68.868 0.001 0.000 1.320 1107 T HN -0.062 8.170 8.240 -0.012 0.000 0.555 1108 C N 1.509 120.814 119.300 0.008 0.000 2.634 1108 C HA 0.022 4.475 4.460 -0.011 0.000 0.417 1108 C C -0.614 174.375 174.990 -0.002 0.000 1.334 1108 C CA 0.578 59.599 59.018 0.004 0.000 1.829 1108 C CB 0.884 28.641 27.740 0.030 0.000 2.665 1108 C HN 0.324 8.567 8.230 0.020 0.000 0.614 1109 I N 4.872 125.428 120.570 -0.023 0.000 2.686 1109 I HA 0.475 4.858 4.170 0.009 -0.208 0.295 1109 I C -1.940 174.161 176.117 -0.027 0.000 1.114 1109 I CA -1.254 60.031 61.300 -0.024 0.000 1.038 1109 I CB 3.905 41.869 38.000 -0.060 0.000 1.238 1109 I HN 0.034 8.222 8.210 -0.037 0.000 0.420 1110 D N 8.063 128.485 120.400 0.036 0.000 2.438 1110 D HA 0.252 4.921 4.640 0.049 0.000 0.257 1110 D C -1.505 174.908 176.300 0.189 0.000 1.148 1110 D CA -1.959 52.089 54.000 0.081 0.000 0.902 1110 D CB 0.502 41.352 40.800 0.084 0.000 1.062 1110 D HN -0.080 8.325 8.370 0.057 0.000 0.518 1111 F N 1.795 121.776 119.950 0.051 0.000 2.411 1111 F HA 0.830 5.525 4.527 0.042 -0.142 0.324 1111 F C -0.929 174.911 175.800 0.066 0.000 1.086 1111 F CA -4.030 54.000 58.000 0.050 0.000 1.028 1111 F CB 1.339 40.362 39.000 0.038 0.000 1.284 1111 F HN -0.027 8.381 8.300 0.180 0.000 0.501 1112 Q N -0.489 119.401 119.800 0.151 0.000 2.350 1112 Q HA 0.353 4.695 4.340 0.004 0.000 0.255 1112 Q C -2.304 173.652 176.000 -0.074 0.000 0.951 1112 Q CA -0.820 55.005 55.803 0.036 0.000 0.751 1112 Q CB 2.778 31.618 28.738 0.169 0.000 1.296 1112 Q HN 0.648 9.017 8.270 0.164 0.000 0.453 1113 V N 0.266 120.014 119.914 -0.276 0.000 2.732 1113 V HA 0.296 4.314 4.120 -0.170 0.000 0.310 1113 V C -1.577 174.484 176.094 -0.055 0.000 1.053 1113 V CA -2.256 59.897 62.300 -0.245 0.000 0.957 1113 V CB 2.077 33.622 31.823 -0.463 0.000 1.018 1113 V HN 0.056 8.046 8.190 -0.333 0.000 0.452 1114 V N 3.790 123.729 119.914 0.041 0.000 2.760 1114 V HA 0.424 4.539 4.120 -0.010 0.000 0.309 1114 V C -2.267 173.883 176.094 0.093 0.000 1.077 1114 V CA -3.279 59.043 62.300 0.037 0.000 0.910 1114 V CB 2.872 34.699 31.823 0.006 0.000 1.008 1114 V HN -0.054 8.182 8.190 0.078 0.000 0.424 1115 P HA 0.026 4.512 4.420 0.111 0.000 0.271 1115 P C 1.007 178.350 177.300 0.072 0.000 1.220 1115 P CA 0.265 63.409 63.100 0.074 0.000 0.768 1115 P CB 0.033 31.754 31.700 0.036 0.000 0.848 1116 G N 4.878 113.732 108.800 0.090 0.000 2.480 1116 G HA2 -0.367 3.641 3.960 0.080 0.000 0.246 1116 G HA3 -0.367 3.629 3.960 0.060 0.000 0.246 1116 G C 0.126 175.082 174.900 0.092 0.000 1.073 1116 G CA 1.203 46.350 45.100 0.079 0.000 0.643 1116 G HN 0.547 8.903 8.290 0.110 0.000 0.525 1117 C N 4.057 123.419 119.300 0.104 0.000 2.697 1117 C HA 0.071 4.606 4.460 0.124 0.000 0.267 1117 C C -0.393 174.745 174.990 0.246 0.000 1.278 1117 C CA -0.160 58.943 59.018 0.141 0.000 1.708 1117 C CB -0.303 27.488 27.740 0.084 0.000 1.860 1117 C HN -0.105 8.058 8.230 0.087 0.119 0.589 1118 G N -1.125 107.790 108.800 0.192 0.000 2.685 1118 G HA2 -0.268 3.723 3.960 0.052 0.000 0.387 1118 G HA3 -0.268 3.881 3.960 0.125 -0.115 0.387 1118 G C -2.749 172.254 174.900 0.172 0.000 1.324 1118 G CA -0.445 44.738 45.100 0.139 0.000 0.878 1118 G HN -0.831 7.491 8.290 0.154 0.061 0.527 1119 I N -6.312 114.228 120.570 -0.049 0.000 3.074 1119 I HA 0.730 5.107 4.170 0.205 -0.084 0.310 1119 I C -2.820 173.092 176.117 -0.343 0.000 1.153 1119 I CA -2.130 59.115 61.300 -0.092 0.000 0.993 1119 I CB 4.297 42.139 38.000 -0.262 0.000 1.237 1119 I HN 0.072 8.194 8.210 -0.145 0.000 0.443 1120 S N 0.668 116.239 115.700 -0.216 0.000 2.548 1120 S HA 0.894 5.340 4.470 -0.300 -0.156 0.286 1120 S C -1.370 173.241 174.600 0.018 0.000 1.098 1120 S CA -1.716 56.354 58.200 -0.218 0.000 0.930 1120 S CB 2.346 65.386 63.200 -0.268 0.000 1.070 1120 S HN 0.485 8.809 8.310 0.024 0.000 0.480 1121 C N 0.902 120.220 119.300 0.030 0.000 3.332 1121 C HA 0.952 5.688 4.460 0.153 -0.184 0.329 1121 C C -2.332 172.702 174.990 0.073 0.000 1.434 1121 C CA -2.960 56.123 59.018 0.108 0.000 1.314 1121 C CB 4.069 31.903 27.740 0.156 0.000 1.664 1121 C HN 1.096 9.306 8.230 -0.034 0.000 0.457 1122 K N 0.306 120.755 120.400 0.081 0.000 2.425 1122 K HA 0.585 5.148 4.320 0.075 -0.198 0.259 1122 K C -0.569 176.069 176.600 0.064 0.000 0.978 1122 K CA -2.075 54.254 56.287 0.070 0.000 0.883 1122 K CB 0.629 33.164 32.500 0.059 0.000 1.110 1122 K HN -0.071 8.209 8.250 0.096 0.028 0.436 1123 V N 3.110 123.066 119.914 0.071 0.000 2.394 1123 V HA 0.767 5.092 4.120 0.032 -0.186 0.282 1123 V C -0.492 175.638 176.094 0.061 0.000 1.031 1123 V CA -2.046 60.283 62.300 0.049 0.000 0.881 1123 V CB 0.852 32.688 31.823 0.023 0.000 0.982 1123 V HN 0.699 8.949 8.190 0.100 0.000 0.451 1124 T N 5.588 120.162 114.554 0.034 0.000 2.945 1124 T HA 0.334 4.712 4.350 0.046 0.000 0.286 1124 T C -1.543 173.161 174.700 0.007 0.000 1.025 1124 T CA -1.154 60.961 62.100 0.026 0.000 1.039 1124 T CB 2.311 71.183 68.868 0.007 0.000 1.068 1124 T HN 0.536 8.789 8.240 0.022 0.000 0.497 1125 N N 4.324 123.025 118.700 0.001 0.000 2.323 1125 N HA -0.011 4.720 4.740 -0.015 0.000 0.318 1125 N C 2.045 177.546 175.510 -0.014 0.000 0.772 1125 N CA 1.424 54.467 53.050 -0.012 0.000 0.619 1125 N CB 1.030 39.506 38.487 -0.018 0.000 2.293 1125 N HN 0.371 8.757 8.380 0.011 0.000 1.086 1126 I N -2.697 117.872 120.570 -0.001 0.000 2.236 1126 I HA -0.248 3.919 4.170 -0.006 0.000 0.249 1126 I C 0.514 176.623 176.117 -0.013 0.000 1.102 1126 I CA 2.633 63.933 61.300 0.001 0.000 1.365 1126 I CB 0.006 38.023 38.000 0.028 0.000 1.051 1126 I HN -0.101 8.116 8.210 0.011 0.000 0.420 1127 E N -0.516 119.670 120.200 -0.024 0.000 4.172 1127 E HA 0.205 4.527 4.350 -0.047 0.000 0.197 1127 E C -0.255 176.295 176.600 -0.083 0.000 1.088 1127 E CA -0.958 55.414 56.400 -0.046 0.000 1.461 1127 E CB 0.243 29.921 29.700 -0.037 0.000 1.180 1127 E HN -0.446 7.903 8.360 -0.019 0.000 0.419 1128 G N -0.739 108.005 108.800 -0.094 0.000 2.708 1128 G HA2 -0.164 3.719 3.960 -0.129 0.000 0.210 1128 G HA3 -0.164 3.733 3.960 -0.106 0.000 0.210 1128 G C 0.596 175.280 174.900 -0.360 0.000 1.141 1128 G CA 2.029 47.038 45.100 -0.151 0.000 0.788 1128 G HN -0.378 7.873 8.290 -0.065 0.000 0.531 1129 L N -3.625 117.412 121.223 -0.310 0.000 2.633 1129 L HA -0.171 3.857 4.340 -0.519 0.000 0.235 1129 L C 0.314 176.909 176.870 -0.459 0.000 1.163 1129 L CA 0.692 55.302 54.840 -0.383 0.000 0.859 1129 L CB -1.570 40.414 42.059 -0.125 0.000 0.973 1129 L HN -0.462 7.570 8.230 -0.178 0.091 0.451 1130 L N -2.106 118.879 121.223 -0.398 0.000 2.202 1130 L HA -0.106 4.184 4.340 -0.083 0.000 0.205 1130 L C -0.283 176.500 176.870 -0.146 0.000 1.083 1130 L CA 0.476 55.199 54.840 -0.195 0.000 0.790 1130 L CB 0.769 42.771 42.059 -0.096 0.000 0.942 1130 L HN -0.624 7.298 8.230 -0.354 0.096 0.452 1131 H N -3.419 115.653 119.070 0.003 0.000 3.851 1131 H HA -0.408 4.151 4.556 0.005 0.000 0.284 1131 H C -1.239 174.094 175.328 0.009 0.000 0.720 1131 H CA 0.526 56.576 56.048 0.004 0.000 0.826 1131 H CB -2.348 27.413 29.762 -0.001 0.000 1.345 1131 H HN -0.496 7.445 8.280 -0.565 0.000 0.314 1132 K N 4.362 124.815 120.400 0.088 0.000 2.126 1132 K HA 0.048 4.547 4.320 0.050 -0.150 0.257 1132 K C -0.148 176.497 176.600 0.075 0.000 1.007 1132 K CA -0.663 55.663 56.287 0.064 0.000 0.928 1132 K CB 1.205 33.735 32.500 0.050 0.000 1.013 1132 K HN -0.007 8.293 8.250 0.083 0.000 0.473 1133 N N 1.882 120.624 118.700 0.071 0.000 2.419 1133 N HA -0.019 4.774 4.740 0.088 0.000 0.264 1133 N C -0.389 175.190 175.510 0.114 0.000 1.031 1133 N CA 0.089 53.193 53.050 0.089 0.000 0.951 1133 N CB 0.369 38.903 38.487 0.078 0.000 1.101 1133 N HN 0.194 8.610 8.380 0.061 0.000 0.488 1134 N N 2.902 121.698 118.700 0.160 0.000 2.241 1134 N HA 0.130 4.944 4.740 0.124 0.000 0.238 1134 N C -0.973 174.683 175.510 0.243 0.000 1.244 1134 N CA -0.630 52.520 53.050 0.167 0.000 0.880 1134 N CB 0.867 39.440 38.487 0.142 0.000 1.179 1134 N HN 0.374 8.859 8.380 0.175 0.000 0.513 1135 W N 2.811 124.129 121.300 0.030 0.000 2.485 1135 W HA -0.075 4.606 4.660 0.034 0.000 0.315 1135 W C -1.439 175.099 176.519 0.031 0.000 1.304 1135 W CA 1.286 58.649 57.345 0.030 0.000 1.345 1135 W CB 0.633 30.107 29.460 0.023 0.000 1.368 1135 W HN -0.833 7.748 8.180 0.356 -0.187 0.497 1136 N N 1.674 120.141 118.700 -0.389 0.000 2.681 1136 N HA -0.532 4.005 4.740 -0.337 0.000 0.250 1136 N C -0.081 175.351 175.510 -0.130 0.000 1.133 1136 N CA 1.461 54.302 53.050 -0.348 0.000 0.732 1136 N CB -2.418 35.779 38.487 -0.483 0.000 1.107 1136 N HN 0.521 8.624 8.380 -0.462 0.000 0.559 1137 I N -1.931 118.615 120.570 -0.040 0.000 2.700 1137 I HA -0.342 3.832 4.170 0.008 0.000 0.261 1137 I C -0.146 175.974 176.117 0.006 0.000 1.219 1137 I CA 1.449 62.754 61.300 0.008 0.000 1.463 1137 I CB 0.065 38.095 38.000 0.050 0.000 1.092 1137 I HN -0.857 7.288 8.210 -0.019 0.054 0.452 1138 E N -2.599 117.600 120.200 -0.002 0.000 2.274 1138 E HA -0.180 4.182 4.350 0.019 0.000 0.194 1138 E C 0.152 176.747 176.600 -0.009 0.000 0.996 1138 E CA 1.897 58.300 56.400 0.006 0.000 0.840 1138 E CB -0.407 29.304 29.700 0.017 0.000 0.772 1138 E HN -0.141 8.175 8.360 -0.012 0.036 0.491 1139 D N -2.263 118.120 120.400 -0.029 0.000 2.525 1139 D HA 0.030 4.658 4.640 -0.021 0.000 0.248 1139 D C -0.343 175.943 176.300 -0.023 0.000 1.000 1139 D CA 0.205 54.187 54.000 -0.031 0.000 0.923 1139 D CB 1.612 42.382 40.800 -0.050 0.000 1.101 1139 D HN -0.248 7.949 8.370 -0.044 0.146 0.493 1140 N N 1.372 120.056 118.700 -0.027 0.000 2.211 1140 N HA -0.347 4.385 4.740 -0.013 0.000 0.283 1140 N C -1.080 174.433 175.510 0.006 0.000 1.393 1140 N CA 1.334 54.380 53.050 -0.008 0.000 0.954 1140 N CB -0.323 38.170 38.487 0.010 0.000 1.349 1140 N HN -0.178 8.062 8.380 -0.046 0.113 0.491 1141 N N 2.287 120.990 118.700 0.005 0.000 2.518 1141 N HA 0.000 4.743 4.740 0.005 0.000 0.283 1141 N C 0.524 176.042 175.510 0.012 0.000 1.119 1141 N CA -0.828 52.225 53.050 0.006 0.000 0.983 1141 N CB 1.654 40.142 38.487 0.002 0.000 1.139 1141 N HN -0.108 8.273 8.380 0.001 0.000 0.465 1142 I N -1.803 118.773 120.570 0.011 0.000 2.315 1142 I HA -0.118 4.061 4.170 0.016 0.000 0.248 1142 I C -0.555 175.569 176.117 0.010 0.000 1.117 1142 I CA 0.943 62.250 61.300 0.012 0.000 1.404 1142 I CB 0.310 38.316 38.000 0.011 0.000 1.071 1142 I HN 0.065 8.281 8.210 0.009 0.000 0.419 1143 K N 0.489 120.893 120.400 0.008 0.000 2.592 1143 K HA 0.063 4.388 4.320 0.007 0.000 0.265 1143 K C -0.684 175.919 176.600 0.004 0.000 1.006 1143 K CA 0.221 56.512 56.287 0.006 0.000 0.907 1143 K CB 1.570 34.073 32.500 0.006 0.000 1.309 1143 K HN -0.262 8.326 8.250 0.007 -0.335 0.452 1144 N N 4.819 123.521 118.700 0.003 0.000 2.509 1144 N HA 0.026 4.767 4.740 0.001 0.000 0.239 1144 N C -1.247 174.264 175.510 0.001 0.000 1.215 1144 N CA -0.129 52.921 53.050 0.001 0.000 0.882 1144 N CB -1.965 36.522 38.487 0.000 0.000 1.189 1144 N HN 0.353 8.735 8.380 0.004 0.000 0.490 1145 A N -1.335 121.486 122.820 0.002 0.000 2.568 1145 A HA 0.176 4.497 4.320 0.001 0.000 0.291 1145 A C -1.766 175.819 177.584 0.002 0.000 1.159 1145 A CA -0.623 51.415 52.037 0.002 0.000 0.679 1145 A CB 2.190 21.191 19.000 0.002 0.000 1.285 1145 A HN -0.541 7.503 8.150 0.002 0.108 0.428 1146 S N -0.676 115.025 115.700 0.002 0.000 2.562 1146 S HA -0.104 4.367 4.470 0.001 0.000 0.281 1146 S C 0.188 174.790 174.600 0.002 0.000 1.333 1146 S CA 0.557 58.758 58.200 0.001 0.000 1.052 1146 S CB 0.304 63.505 63.200 0.001 0.000 0.884 1146 S HN 0.193 8.503 8.310 0.001 0.000 0.506 1147 L N 0.681 121.905 121.223 0.002 0.000 4.194 1147 L HA 0.395 4.736 4.340 0.002 0.000 0.409 1147 L C -0.263 176.608 176.870 0.001 0.000 1.084 1147 L CA 0.683 55.524 54.840 0.002 0.000 1.510 1147 L CB 0.076 42.136 42.059 0.002 0.000 1.780 1147 L HN 0.273 8.504 8.230 0.001 0.000 0.634 1148 V N 0.100 120.014 119.914 0.001 0.000 2.346 1148 V HA -0.171 3.949 4.120 0.001 0.000 0.244 1148 V C 0.482 176.576 176.094 0.001 0.000 1.037 1148 V CA 2.292 64.593 62.300 0.001 0.000 1.029 1148 V CB 0.637 32.460 31.823 0.000 0.000 0.663 1148 V HN -0.283 7.908 8.190 0.001 0.000 0.454 1149 Q N -1.415 118.385 119.800 0.001 0.000 2.961 1149 Q HA 0.143 4.483 4.340 0.001 0.000 0.223 1149 Q C -0.558 175.443 176.000 0.001 0.000 0.859 1149 Q CA -0.491 55.312 55.803 0.001 0.000 0.771 1149 Q CB 0.330 29.068 28.738 0.000 0.000 1.389 1149 Q HN -0.228 8.042 8.270 0.001 0.000 0.460 1150 I N 5.784 126.354 120.570 0.001 0.000 2.286 1150 I HA -0.323 3.991 4.170 0.001 -0.143 0.248 1150 I C 1.707 177.825 176.117 0.001 0.000 1.115 1150 I CA 2.302 63.603 61.300 0.001 0.000 1.392 1150 I CB -0.196 37.805 38.000 0.001 0.000 1.065 1150 I HN 0.528 8.738 8.210 0.001 0.000 0.418 1151 D N -2.199 118.202 120.400 0.001 0.000 2.263 1151 D HA -0.271 4.369 4.640 0.001 0.000 0.208 1151 D C 0.348 176.648 176.300 0.001 0.000 0.971 1151 D CA 2.352 56.352 54.000 0.001 0.000 0.867 1151 D CB -0.810 39.991 40.800 0.001 0.000 0.929 1151 D HN 0.284 8.654 8.370 0.001 0.000 0.492 1152 A N -1.083 121.738 122.820 0.001 0.000 2.220 1152 A HA 0.145 4.465 4.320 0.000 0.000 0.211 1152 A C -0.613 176.971 177.584 0.000 0.000 1.176 1152 A CA 0.331 52.368 52.037 0.000 0.000 0.834 1152 A CB 1.254 20.254 19.000 0.000 0.000 0.868 1152 A HN -0.549 7.451 8.150 0.001 0.150 0.488 1153 S N -0.160 115.540 115.700 0.000 0.000 2.620 1153 S HA 0.037 4.507 4.470 0.000 0.000 0.244 1153 S C -1.079 173.522 174.600 0.001 0.000 1.192 1153 S CA -1.001 57.199 58.200 0.000 0.000 1.148 1153 S CB 0.387 63.588 63.200 0.000 0.000 1.106 1153 S HN -0.578 7.598 8.310 0.001 0.134 0.474 1154 N N 4.492 123.193 118.700 0.000 0.000 2.537 1154 N HA -0.386 4.354 4.740 0.000 0.000 0.286 1154 N C -0.748 174.763 175.510 0.001 0.000 1.245 1154 N CA 0.867 53.917 53.050 0.000 0.000 0.704 1154 N CB -0.227 38.260 38.487 0.000 0.000 0.910 1154 N HN 0.400 8.780 8.380 0.000 0.000 0.542 1155 E N 3.722 123.922 120.200 0.001 0.000 2.222 1155 E HA -0.054 4.297 4.350 0.001 0.000 0.312 1155 E C -0.110 176.491 176.600 0.001 0.000 1.263 1155 E CA 0.169 56.569 56.400 0.001 0.000 1.356 1155 E CB -1.321 28.380 29.700 0.001 0.000 1.180 1155 E HN 0.320 8.680 8.360 0.001 0.000 0.494 1156 Q N 1.887 121.688 119.800 0.001 0.000 2.016 1156 Q HA -0.190 4.151 4.340 0.001 0.000 0.200 1156 Q C 0.457 176.458 176.000 0.002 0.000 0.978 1156 Q CA 2.139 57.943 55.803 0.001 0.000 0.833 1156 Q CB 0.447 29.186 28.738 0.001 0.000 0.895 1156 Q HN 0.019 8.231 8.270 0.001 0.058 0.427 1157 S N -4.863 110.839 115.700 0.002 0.000 2.697 1157 S HA 0.133 4.605 4.470 0.002 0.000 0.289 1157 S C -0.055 174.546 174.600 0.003 0.000 1.149 1157 S CA -1.767 56.435 58.200 0.002 0.000 0.850 1157 S CB 0.671 63.873 63.200 0.003 0.000 1.151 1157 S HN -0.577 7.735 8.310 0.002 0.000 0.491 1158 S N 0.559 116.261 115.700 0.003 0.000 2.382 1158 S HA -0.116 4.356 4.470 0.003 0.000 0.228 1158 S C 0.016 174.618 174.600 0.003 0.000 1.027 1158 S CA 1.125 59.327 58.200 0.003 0.000 0.991 1158 S CB 0.210 63.412 63.200 0.003 0.000 0.823 1158 S HN 0.264 8.576 8.310 0.003 0.000 0.469 1159 T N -1.001 113.556 114.554 0.004 0.000 0.541 1159 T HA -0.281 4.072 4.350 0.005 0.000 0.774 1159 T C -0.937 173.766 174.700 0.005 0.000 0.992 1159 T CA -0.124 61.979 62.100 0.004 0.000 4.077 1159 T CB 0.271 69.141 68.868 0.004 0.000 2.303 1159 T HN -0.631 7.612 8.240 0.004 0.000 0.398 1160 S N 1.881 117.585 115.700 0.006 0.000 2.565 1160 S HA 0.114 4.587 4.470 0.006 0.000 0.276 1160 S C 0.529 175.132 174.600 0.006 0.000 1.326 1160 S CA -0.360 57.844 58.200 0.006 0.000 1.045 1160 S CB 1.140 64.345 63.200 0.008 0.000 0.918 1160 S HN 0.012 8.326 8.310 0.006 0.000 0.505 1161 S N 4.682 120.385 115.700 0.006 0.000 2.733 1161 S HA 0.270 4.743 4.470 0.005 0.000 0.247 1161 S C -0.166 174.438 174.600 0.005 0.000 1.043 1161 S CA 0.533 58.736 58.200 0.005 0.000 1.066 1161 S CB 0.653 63.856 63.200 0.004 0.000 1.045 1161 S HN 0.580 8.893 8.310 0.006 0.000 0.586 1162 S N 0.617 116.320 115.700 0.006 0.000 2.727 1162 S HA 0.085 4.559 4.470 0.006 0.000 0.249 1162 S C -0.279 174.326 174.600 0.009 0.000 1.079 1162 S CA 0.373 58.577 58.200 0.007 0.000 0.912 1162 S CB 1.365 64.568 63.200 0.006 0.000 0.861 1162 S HN -0.066 8.248 8.310 0.007 0.000 0.484 1163 M N 1.855 121.461 119.600 0.010 0.000 2.219 1163 M HA 0.139 4.627 4.480 0.013 0.000 0.353 1163 M C 1.162 177.470 176.300 0.015 0.000 1.304 1163 M CA 1.538 56.846 55.300 0.012 0.000 1.115 1163 M CB 0.277 32.885 32.600 0.012 0.000 1.664 1163 M HN -0.579 7.716 8.290 0.009 0.000 0.459 1164 I N -2.174 118.407 120.570 0.018 0.000 4.088 1164 I HA -0.525 3.661 4.170 0.026 0.000 0.114 1164 I C -0.514 175.614 176.117 0.019 0.000 0.462 1164 I CA 2.127 63.440 61.300 0.022 0.000 1.211 1164 I CB -1.168 36.847 38.000 0.025 0.000 1.072 1164 I HN 0.506 8.727 8.210 0.018 0.000 0.190 1165 I N 1.154 121.732 120.570 0.014 0.000 2.710 1165 I HA -0.197 3.980 4.170 0.011 0.000 0.286 1165 I C 1.246 177.369 176.117 0.010 0.000 1.181 1165 I CA 0.461 61.768 61.300 0.011 0.000 1.430 1165 I CB -0.380 37.625 38.000 0.009 0.000 1.367 1165 I HN -0.380 7.719 8.210 0.013 0.119 0.577 1166 D N 6.750 127.156 120.400 0.009 0.000 2.531 1166 D HA -0.413 4.231 4.640 0.006 0.000 0.176 1166 D C -0.047 176.259 176.300 0.010 0.000 1.217 1166 D CA 2.536 56.541 54.000 0.007 0.000 1.125 1166 D CB -0.509 40.294 40.800 0.005 0.000 1.148 1166 D HN 0.603 8.978 8.370 0.008 0.000 0.430 1167 A N -1.542 121.286 122.820 0.015 0.000 2.032 1167 A HA -0.277 4.052 4.320 0.016 0.000 0.221 1167 A C 0.965 178.562 177.584 0.022 0.000 1.165 1167 A CA 2.430 54.478 52.037 0.019 0.000 0.645 1167 A CB -0.240 18.774 19.000 0.023 0.000 0.807 1167 A HN -0.227 7.798 8.150 0.015 0.134 0.453 1168 Q N -4.775 115.038 119.800 0.022 0.000 2.373 1168 Q HA 0.031 4.388 4.340 0.030 0.000 0.210 1168 Q C 1.430 177.439 176.000 0.015 0.000 0.913 1168 Q CA 1.279 57.097 55.803 0.025 0.000 0.911 1168 Q CB 0.718 29.474 28.738 0.030 0.000 1.040 1168 Q HN 0.071 8.303 8.270 0.020 0.050 0.521 1169 I N 2.586 123.162 120.570 0.009 0.000 2.296 1169 I HA -0.357 3.813 4.170 -0.000 0.000 0.242 1169 I C 1.687 177.803 176.117 -0.002 0.000 1.087 1169 I CA 3.518 64.819 61.300 0.002 0.000 1.393 1169 I CB 0.215 38.215 38.000 -0.001 0.000 1.093 1169 I HN -0.158 7.941 8.210 0.010 0.117 0.421 1170 S N -0.259 115.441 115.700 0.001 0.000 2.423 1170 S HA -0.409 4.057 4.470 -0.006 0.000 0.231 1170 S C 1.805 176.405 174.600 -0.001 0.000 1.014 1170 S CA 3.782 61.981 58.200 -0.002 0.000 0.965 1170 S CB -0.231 62.969 63.200 0.000 0.000 0.785 1170 S HN 0.269 8.581 8.310 0.004 0.000 0.495 1171 N N 2.450 121.153 118.700 0.004 0.000 2.039 1171 N HA -0.245 4.498 4.740 0.004 0.000 0.193 1171 N C 1.389 176.899 175.510 -0.001 0.000 1.044 1171 N CA 2.946 56.000 53.050 0.006 0.000 0.847 1171 N CB -0.112 38.386 38.487 0.017 0.000 1.030 1171 N HN -0.580 7.792 8.380 0.008 0.013 0.422 1172 A N 0.473 123.293 122.820 -0.000 0.000 1.933 1172 A HA -0.246 4.070 4.320 -0.006 0.000 0.218 1172 A C 1.923 179.496 177.584 -0.019 0.000 1.175 1172 A CA 2.831 54.864 52.037 -0.008 0.000 0.628 1172 A CB -0.437 18.559 19.000 -0.007 0.000 0.814 1172 A HN -0.332 7.821 8.150 0.005 0.000 0.444 1173 L N -6.074 115.137 121.223 -0.019 0.000 2.376 1173 L HA -0.178 4.142 4.340 -0.032 0.000 0.219 1173 L C 1.111 177.967 176.870 -0.022 0.000 1.133 1173 L CA 2.137 56.963 54.840 -0.024 0.000 0.816 1173 L CB -1.266 40.780 42.059 -0.022 0.000 0.933 1173 L HN 0.404 8.625 8.230 -0.015 0.000 0.449 1174 N N -1.952 116.736 118.700 -0.019 0.000 2.428 1174 N HA -0.049 4.678 4.740 -0.021 0.000 0.181 1174 N C 0.536 176.028 175.510 -0.030 0.000 1.028 1174 N CA 1.622 54.659 53.050 -0.022 0.000 0.877 1174 N CB 1.796 40.272 38.487 -0.018 0.000 1.064 1174 N HN -0.736 7.600 8.380 -0.016 0.034 0.434 1175 A N 2.506 125.307 122.820 -0.031 0.000 3.029 1175 A HA 0.208 4.704 4.320 -0.062 -0.213 0.251 1175 A C -0.687 176.878 177.584 -0.030 0.000 1.749 1175 A CA -1.333 50.678 52.037 -0.043 0.000 1.386 1175 A CB -1.594 17.383 19.000 -0.038 0.000 1.043 1175 A HN 0.075 8.211 8.150 -0.023 0.000 0.638 1176 Q N 0.097 119.881 119.800 -0.027 0.000 2.304 1176 Q HA -0.190 4.306 4.340 -0.026 -0.172 0.301 1176 Q C -0.284 175.718 176.000 0.003 0.000 1.063 1176 Q CA 1.327 57.120 55.803 -0.018 0.000 0.947 1176 Q CB 0.720 29.448 28.738 -0.017 0.000 1.201 1176 Q HN -0.363 7.800 8.270 -0.031 0.089 0.389 1177 Q N 0.162 119.963 119.800 0.001 0.000 2.565 1177 Q HA 0.385 4.768 4.340 0.071 0.000 0.294 1177 Q C -1.351 174.668 176.000 0.030 0.000 1.005 1177 Q CA -1.111 54.712 55.803 0.034 0.000 0.771 1177 Q CB 4.831 33.576 28.738 0.012 0.000 1.486 1177 Q HN 0.244 8.494 8.270 -0.033 0.000 0.422 1178 Y N 0.178 120.467 120.300 -0.019 0.000 2.332 1178 Y HA 0.093 4.630 4.550 -0.022 0.000 0.325 1178 Y C -2.139 173.748 175.900 -0.022 0.000 1.054 1178 Y CA -0.580 57.506 58.100 -0.023 0.000 1.119 1178 Y CB 3.806 42.247 38.460 -0.031 0.000 1.168 1178 Y HN 0.020 8.393 8.280 0.155 0.000 0.439 1179 K N 8.284 128.756 120.400 0.119 0.000 2.349 1179 K HA 0.210 4.743 4.320 0.067 -0.173 0.289 1179 K C -1.271 175.396 176.600 0.111 0.000 1.064 1179 K CA 0.344 56.680 56.287 0.081 0.000 0.947 1179 K CB 0.425 32.934 32.500 0.015 0.000 1.007 1179 K HN 0.534 8.765 8.250 -0.031 0.000 0.478 1180 V N 2.835 122.776 119.914 0.044 0.000 2.841 1180 V HA 0.911 5.163 4.120 -0.015 -0.141 0.310 1180 V C -2.672 173.351 176.094 -0.120 0.000 1.090 1180 V CA -2.183 60.105 62.300 -0.019 0.000 0.930 1180 V CB 3.718 35.530 31.823 -0.018 0.000 1.014 1180 V HN 0.585 8.797 8.190 0.037 0.000 0.425 1181 L N -1.098 120.006 121.223 -0.199 0.000 2.465 1181 L HA 1.052 5.326 4.340 -0.323 -0.128 0.257 1181 L C -2.485 174.215 176.870 -0.283 0.000 0.988 1181 L CA -1.668 52.960 54.840 -0.353 0.000 0.827 1181 L CB 4.262 45.910 42.059 -0.685 0.000 1.397 1181 L HN 0.789 8.925 8.230 -0.156 0.000 0.410 1182 I N -0.117 120.284 120.570 -0.282 0.000 2.841 1182 I HA 0.807 5.051 4.170 -0.140 -0.157 0.298 1182 I C -1.848 174.196 176.117 -0.122 0.000 1.304 1182 I CA -1.790 59.413 61.300 -0.162 0.000 1.019 1182 I CB 3.891 41.827 38.000 -0.106 0.000 1.282 1182 I HN 0.315 8.313 8.210 -0.354 0.000 0.432 1183 G N 6.173 114.942 108.800 -0.053 0.000 2.392 1183 G HA2 -0.204 3.763 3.960 0.012 0.000 0.677 1183 G HA3 -0.204 3.770 3.960 0.023 0.000 0.677 1183 G C -2.260 172.669 174.900 0.049 0.000 1.334 1183 G CA -0.430 44.676 45.100 0.009 0.000 0.961 1183 G HN 0.367 8.627 8.290 -0.050 0.000 0.616 1184 N N -1.112 117.627 118.700 0.066 0.000 1.189 1184 N HA -0.454 4.327 4.740 0.068 0.000 0.105 1184 N C 0.013 175.569 175.510 0.077 0.000 0.794 1184 N CA 2.662 55.761 53.050 0.081 0.000 0.837 1184 N CB 0.091 38.645 38.487 0.112 0.000 0.971 1184 N HN 0.233 8.649 8.380 0.060 0.000 0.657 1185 R N -3.238 117.315 120.500 0.089 0.000 2.725 1185 R HA 0.166 4.553 4.340 0.078 0.000 0.207 1185 R C 1.547 177.908 176.300 0.102 0.000 0.924 1185 R CA 0.821 56.971 56.100 0.084 0.000 1.098 1185 R CB 0.953 31.293 30.300 0.067 0.000 1.602 1185 R HN 0.242 8.570 8.270 0.097 0.000 0.615 1186 E N 0.937 121.202 120.200 0.109 0.000 2.106 1186 E HA -0.207 4.193 4.350 0.084 0.000 0.192 1186 E C 1.539 178.244 176.600 0.174 0.000 0.984 1186 E CA 3.340 59.803 56.400 0.105 0.000 0.806 1186 E CB -0.229 29.509 29.700 0.062 0.000 0.750 1186 E HN -0.648 7.994 8.360 0.098 -0.222 0.458 1187 W N 0.643 121.944 121.300 0.002 0.000 2.402 1187 W HA -0.228 4.430 4.660 -0.003 0.000 0.286 1187 W C 1.431 177.951 176.519 0.003 0.000 1.221 1187 W CA 3.186 60.530 57.345 -0.001 0.000 1.257 1187 W CB -0.760 28.696 29.460 -0.007 0.000 1.120 1187 W HN -0.206 8.163 8.180 0.316 0.000 0.551 1188 M N -0.557 119.160 119.600 0.195 0.000 2.213 1188 M HA -0.386 4.107 4.480 0.021 0.000 0.263 1188 M C 1.667 178.021 176.300 0.089 0.000 1.062 1188 M CA 2.832 58.180 55.300 0.080 0.000 1.105 1188 M CB -0.629 32.003 32.600 0.052 0.000 1.385 1188 M HN -0.217 8.169 8.290 0.204 0.027 0.417 1189 I N -1.373 119.262 120.570 0.107 0.000 2.094 1189 I HA -0.591 3.619 4.170 0.066 0.000 0.234 1189 I C 2.160 178.340 176.117 0.104 0.000 1.063 1189 I CA 3.476 64.828 61.300 0.086 0.000 1.328 1189 I CB -0.235 37.806 38.000 0.070 0.000 1.058 1189 I HN -0.728 7.460 8.210 0.121 0.094 0.400 1190 R N -2.145 118.438 120.500 0.139 0.000 2.211 1190 R HA -0.373 4.016 4.340 0.082 0.000 0.240 1190 R C 1.623 178.029 176.300 0.177 0.000 1.144 1190 R CA 2.466 58.647 56.100 0.136 0.000 0.992 1190 R CB -0.318 30.048 30.300 0.109 0.000 0.869 1190 R HN -0.154 8.205 8.270 0.149 0.000 0.462 1191 N N -2.090 116.745 118.700 0.225 0.000 2.535 1191 N HA -0.135 4.727 4.740 0.204 0.000 0.203 1191 N C -0.096 175.466 175.510 0.087 0.000 1.301 1191 N CA 0.621 53.771 53.050 0.166 0.000 0.859 1191 N CB 0.084 38.628 38.487 0.096 0.000 1.055 1191 N HN -0.374 8.130 8.380 0.256 0.030 0.457 1192 G N -2.508 106.336 108.800 0.074 0.000 2.155 1192 G HA2 -0.405 3.581 3.960 0.044 0.000 0.257 1192 G HA3 -0.405 3.581 3.960 0.043 0.000 0.257 1192 G C -0.388 174.534 174.900 0.036 0.000 0.983 1192 G CA 0.794 45.922 45.100 0.048 0.000 0.676 1192 G HN -0.592 7.625 8.290 0.087 0.124 0.528 1193 L N -2.754 118.492 121.223 0.038 0.000 2.490 1193 L HA 0.073 4.425 4.340 0.021 0.000 0.245 1193 L C -0.090 176.795 176.870 0.026 0.000 1.185 1193 L CA -0.500 54.356 54.840 0.027 0.000 0.813 1193 L CB 0.654 42.726 42.059 0.022 0.000 1.233 1193 L HN -1.057 7.155 8.230 0.050 0.048 0.489 1194 V N 0.130 120.056 119.914 0.020 0.000 2.495 1194 V HA 0.107 4.240 4.120 0.022 0.000 0.298 1194 V C -1.059 175.046 176.094 0.018 0.000 1.031 1194 V CA -0.330 61.981 62.300 0.019 0.000 0.871 1194 V CB 1.162 32.993 31.823 0.014 0.000 0.988 1194 V HN -0.015 8.184 8.190 0.016 0.000 0.432 1195 I N 6.388 126.972 120.570 0.022 0.000 2.392 1195 I HA 0.161 4.343 4.170 0.020 0.000 0.295 1195 I C -1.077 175.053 176.117 0.021 0.000 0.985 1195 I CA -0.603 60.711 61.300 0.024 0.000 1.221 1195 I CB 1.230 39.250 38.000 0.032 0.000 1.366 1195 I HN 0.143 8.367 8.210 0.024 0.000 0.467 1196 N N 7.535 126.246 118.700 0.019 0.000 2.489 1196 N HA 0.137 4.887 4.740 0.017 0.000 0.284 1196 N C -0.127 175.398 175.510 0.026 0.000 1.158 1196 N CA -0.937 52.123 53.050 0.017 0.000 0.965 1196 N CB 1.176 39.668 38.487 0.009 0.000 1.195 1196 N HN 0.115 8.505 8.380 0.017 0.000 0.506 1197 N N -1.030 117.685 118.700 0.025 0.000 2.459 1197 N HA -0.275 4.486 4.740 0.034 0.000 0.181 1197 N C 0.990 176.524 175.510 0.041 0.000 1.046 1197 N CA 2.261 55.330 53.050 0.031 0.000 0.904 1197 N CB -0.382 38.119 38.487 0.024 0.000 0.964 1197 N HN 0.497 8.889 8.380 0.020 0.000 0.444 1198 D N 1.032 121.455 120.400 0.038 0.000 2.149 1198 D HA -0.078 4.600 4.640 0.063 0.000 0.206 1198 D C 1.884 178.234 176.300 0.084 0.000 0.967 1198 D CA 3.184 57.215 54.000 0.052 0.000 0.848 1198 D CB 0.263 41.078 40.800 0.026 0.000 0.998 1198 D HN -0.624 7.854 8.370 0.026 -0.093 0.474 1199 V N 0.750 120.694 119.914 0.051 0.000 2.490 1199 V HA -0.407 3.753 4.120 0.067 0.000 0.250 1199 V C 0.809 176.992 176.094 0.148 0.000 1.061 1199 V CA 3.037 65.380 62.300 0.072 0.000 1.064 1199 V CB 0.331 32.160 31.823 0.010 0.000 0.670 1199 V HN -0.061 8.488 8.190 0.024 -0.344 0.461 1200 N N -0.840 117.921 118.700 0.103 0.000 2.142 1200 N HA -0.371 4.431 4.740 0.104 0.000 0.186 1200 N C 1.385 176.956 175.510 0.101 0.000 1.023 1200 N CA 3.788 56.896 53.050 0.096 0.000 0.852 1200 N CB -0.067 38.458 38.487 0.062 0.000 0.998 1200 N HN -0.482 7.942 8.380 0.073 0.000 0.424 1201 D N -0.677 119.781 120.400 0.097 0.000 2.178 1201 D HA -0.259 4.407 4.640 0.045 0.000 0.201 1201 D C 1.956 178.316 176.300 0.099 0.000 0.980 1201 D CA 3.217 57.264 54.000 0.078 0.000 0.842 1201 D CB -0.093 40.747 40.800 0.067 0.000 0.948 1201 D HN -0.611 7.812 8.370 0.090 0.000 0.472 1202 F N 0.089 120.042 119.950 0.004 0.000 2.206 1202 F HA -0.246 4.256 4.527 -0.041 0.000 0.298 1202 F C 1.030 176.863 175.800 0.055 0.000 1.090 1202 F CA 2.822 60.827 58.000 0.009 0.000 1.323 1202 F CB 0.481 39.506 39.000 0.042 0.000 1.028 1202 F HN -0.249 8.232 8.300 0.302 0.000 0.492 1203 M N 0.289 120.058 119.600 0.281 0.000 2.081 1203 M HA -0.372 4.298 4.480 0.317 0.000 0.261 1203 M C 1.852 178.209 176.300 0.095 0.000 1.075 1203 M CA 2.528 57.962 55.300 0.222 0.000 1.133 1203 M CB -0.431 32.282 32.600 0.188 0.000 1.330 1203 M HN 0.100 8.382 8.290 0.297 0.186 0.414 1204 T N -0.056 114.529 114.554 0.053 0.000 2.881 1204 T HA -0.302 4.224 4.350 0.031 -0.157 0.270 1204 T C 1.982 176.663 174.700 -0.032 0.000 1.068 1204 T CA 3.827 65.938 62.100 0.018 0.000 1.131 1204 T CB -0.499 68.379 68.868 0.017 0.000 0.871 1204 T HN -0.193 8.089 8.240 0.070 0.000 0.479 1205 E N 1.476 121.616 120.200 -0.101 0.000 2.058 1205 E HA -0.368 3.891 4.350 -0.151 0.000 0.194 1205 E C 1.714 178.160 176.600 -0.257 0.000 0.997 1205 E CA 3.001 59.275 56.400 -0.210 0.000 0.801 1205 E CB -0.644 28.859 29.700 -0.328 0.000 0.746 1205 E HN -0.411 7.880 8.360 -0.086 0.017 0.450 1206 H N -1.505 117.466 119.070 -0.165 0.000 2.387 1206 H HA -0.186 4.285 4.556 -0.142 0.000 0.299 1206 H C 2.714 178.000 175.328 -0.070 0.000 1.090 1206 H CA 3.270 59.238 56.048 -0.133 0.000 1.332 1206 H CB -0.090 29.587 29.762 -0.141 0.000 1.386 1206 H HN -0.545 7.588 8.280 -0.244 0.000 0.516 1207 E N -0.498 119.739 120.200 0.062 0.000 2.150 1207 E HA -0.232 4.143 4.350 0.041 0.000 0.193 1207 E C 2.295 178.900 176.600 0.007 0.000 0.985 1207 E CA 2.337 58.758 56.400 0.035 0.000 0.814 1207 E CB -0.283 29.438 29.700 0.034 0.000 0.752 1207 E HN -0.503 7.826 8.360 0.061 0.068 0.466 1208 R N -0.502 119.987 120.500 -0.017 0.000 2.090 1208 R HA -0.206 4.124 4.340 -0.017 0.000 0.228 1208 R C 1.986 178.268 176.300 -0.029 0.000 1.110 1208 R CA 2.503 58.586 56.100 -0.028 0.000 0.973 1208 R CB -0.036 30.235 30.300 -0.047 0.000 0.869 1208 R HN 0.095 8.157 8.270 -0.030 0.190 0.440 1209 K N -2.908 117.469 120.400 -0.039 0.000 2.574 1209 K HA -0.085 4.217 4.320 -0.030 0.000 0.193 1209 K C -0.385 176.214 176.600 -0.001 0.000 1.035 1209 K CA 0.457 56.728 56.287 -0.026 0.000 0.982 1209 K CB -0.035 32.443 32.500 -0.036 0.000 0.795 1209 K HN -0.197 8.021 8.250 -0.054 0.000 0.491 1210 G N -2.764 106.039 108.800 0.005 0.000 2.143 1210 G HA2 -0.429 3.614 3.960 0.009 0.000 0.248 1210 G HA3 -0.429 3.534 3.960 0.004 0.000 0.248 1210 G C -0.128 174.781 174.900 0.015 0.000 0.991 1210 G CA 0.526 45.631 45.100 0.009 0.000 0.689 1210 G HN -0.499 7.646 8.290 0.001 0.146 0.522 1211 R N 0.102 120.618 120.500 0.027 0.000 2.606 1211 R HA 0.598 4.943 4.340 0.009 0.000 0.249 1211 R C -0.393 175.916 176.300 0.016 0.000 1.127 1211 R CA -2.277 53.836 56.100 0.021 0.000 1.133 1211 R CB 1.721 32.040 30.300 0.032 0.000 1.243 1211 R HN -0.290 7.965 8.270 0.039 0.039 0.558 1212 T N 2.825 117.375 114.554 -0.006 0.000 2.743 1212 T HA 0.058 4.413 4.350 0.010 0.000 0.293 1212 T C -1.806 172.880 174.700 -0.023 0.000 0.945 1212 T CA 0.887 62.983 62.100 -0.007 0.000 1.030 1212 T CB 0.642 69.504 68.868 -0.011 0.000 0.912 1212 T HN 0.320 8.548 8.240 -0.021 0.000 0.483 1213 A N 8.776 131.601 122.820 0.008 0.000 2.340 1213 A HA 0.688 5.130 4.320 -0.026 -0.139 0.297 1213 A C -1.982 175.626 177.584 0.039 0.000 1.195 1213 A CA -1.325 50.724 52.037 0.020 0.000 0.769 1213 A CB 1.937 20.984 19.000 0.077 0.000 1.163 1213 A HN 0.454 8.618 8.150 0.024 0.000 0.472 1214 V N -1.516 118.417 119.914 0.031 0.000 3.159 1214 V HA 0.740 5.031 4.120 0.042 -0.146 0.308 1214 V C -2.481 173.632 176.094 0.032 0.000 1.190 1214 V CA -2.670 59.649 62.300 0.032 0.000 1.037 1214 V CB 3.543 35.376 31.823 0.017 0.000 1.060 1214 V HN 0.460 8.659 8.190 0.015 0.000 0.437 1215 L N -0.230 121.005 121.223 0.020 0.000 2.301 1215 L HA 0.533 4.975 4.340 0.012 -0.095 0.264 1215 L C -1.239 175.616 176.870 -0.025 0.000 1.016 1215 L CA -0.835 54.009 54.840 0.007 0.000 0.821 1215 L CB 3.500 45.568 42.059 0.015 0.000 1.346 1215 L HN 0.083 8.325 8.230 0.020 0.000 0.429 1216 V N -0.913 118.981 119.914 -0.034 0.000 2.531 1216 V HA 0.503 4.708 4.120 -0.083 -0.135 0.301 1216 V C -1.187 174.871 176.094 -0.061 0.000 1.034 1216 V CA -1.142 61.123 62.300 -0.058 0.000 0.865 1216 V CB 2.047 33.844 31.823 -0.043 0.000 0.995 1216 V HN 0.667 8.844 8.190 -0.022 0.000 0.424 1217 A N 7.605 130.369 122.820 -0.094 0.000 2.356 1217 A HA 0.909 5.306 4.320 -0.047 -0.106 0.323 1217 A C -2.338 175.207 177.584 -0.066 0.000 1.119 1217 A CA -2.371 49.618 52.037 -0.080 0.000 0.790 1217 A CB 3.867 22.804 19.000 -0.105 0.000 1.273 1217 A HN 1.098 9.168 8.150 -0.132 0.000 0.452 1218 V N -4.195 115.710 119.914 -0.015 0.000 2.655 1218 V HA 0.692 5.006 4.120 0.049 -0.165 0.301 1218 V C -0.707 175.425 176.094 0.063 0.000 1.082 1218 V CA -1.834 60.498 62.300 0.054 0.000 0.899 1218 V CB 3.239 35.127 31.823 0.107 0.000 1.014 1218 V HN 0.764 8.839 8.190 -0.010 0.109 0.429 1219 D N 8.601 129.030 120.400 0.047 0.000 2.692 1219 D HA -0.419 4.212 4.640 -0.015 0.000 0.233 1219 D C -0.722 175.576 176.300 -0.004 0.000 1.172 1219 D CA 1.672 55.671 54.000 -0.001 0.000 0.636 1219 D CB -0.503 40.261 40.800 -0.059 0.000 1.028 1219 D HN 0.713 9.008 8.370 0.063 0.113 0.419 1220 D N -8.898 111.501 120.400 -0.001 0.000 2.945 1220 D HA -0.394 4.247 4.640 0.001 0.000 0.225 1220 D C -1.209 175.094 176.300 0.005 0.000 1.158 1220 D CA 1.350 55.352 54.000 0.003 0.000 0.805 1220 D CB -1.489 39.316 40.800 0.008 0.000 1.098 1220 D HN 0.271 8.637 8.370 -0.007 0.000 0.426 1221 E N -2.398 117.806 120.200 0.007 0.000 2.256 1221 E HA 0.366 4.720 4.350 0.008 0.000 0.267 1221 E C -1.537 175.063 176.600 0.001 0.000 0.892 1221 E CA -2.004 54.401 56.400 0.009 0.000 0.775 1221 E CB 3.717 33.429 29.700 0.021 0.000 1.207 1221 E HN -0.089 8.101 8.360 0.009 0.176 0.420 1222 L N 3.378 124.600 121.223 -0.001 0.000 2.261 1222 L HA 0.006 4.336 4.340 -0.017 0.000 0.289 1222 L C 0.557 177.422 176.870 -0.007 0.000 1.059 1222 L CA -0.134 54.701 54.840 -0.009 0.000 0.816 1222 L CB 0.512 42.568 42.059 -0.006 0.000 1.191 1222 L HN 0.456 8.687 8.230 0.002 0.000 0.431 1223 C N 2.439 121.733 119.300 -0.011 0.000 2.507 1223 C HA 0.142 4.601 4.460 -0.001 0.000 0.280 1223 C C -0.331 174.652 174.990 -0.012 0.000 1.345 1223 C CA -1.137 57.876 59.018 -0.008 0.000 1.736 1223 C CB 2.190 29.923 27.740 -0.012 0.000 2.060 1223 C HN 0.607 8.825 8.230 -0.019 0.000 0.498 1224 G N -1.557 107.232 108.800 -0.017 0.000 2.341 1224 G HA2 0.520 4.458 3.960 -0.037 0.000 0.299 1224 G HA3 0.520 4.549 3.960 -0.013 -0.077 0.299 1224 G C -3.617 171.272 174.900 -0.017 0.000 1.274 1224 G CA 0.606 45.693 45.100 -0.022 0.000 0.853 1224 G HN -0.669 7.609 8.290 -0.020 0.000 0.493 1225 L N -5.859 115.354 121.223 -0.016 0.000 2.415 1225 L HA 0.839 5.270 4.340 0.014 -0.083 0.256 1225 L C -2.477 174.412 176.870 0.030 0.000 1.010 1225 L CA -0.968 53.879 54.840 0.012 0.000 0.826 1225 L CB 4.023 46.101 42.059 0.032 0.000 1.405 1225 L HN 0.764 8.977 8.230 -0.028 0.000 0.410 1226 I N -2.345 118.244 120.570 0.032 0.000 2.569 1226 I HA 0.763 5.115 4.170 0.001 -0.181 0.290 1226 I C -1.679 174.404 176.117 -0.057 0.000 1.088 1226 I CA -1.666 59.630 61.300 -0.006 0.000 1.047 1226 I CB 4.140 42.125 38.000 -0.025 0.000 1.237 1226 I HN 0.790 9.020 8.210 0.033 0.000 0.421 1227 A N 6.268 128.994 122.820 -0.157 0.000 2.317 1227 A HA 1.001 5.276 4.320 -0.318 -0.147 0.327 1227 A C -1.730 175.720 177.584 -0.223 0.000 1.178 1227 A CA -2.217 49.609 52.037 -0.350 0.000 0.817 1227 A CB 2.837 21.302 19.000 -0.891 0.000 1.189 1227 A HN 0.992 8.966 8.150 -0.115 0.108 0.489 1228 I N 1.082 121.551 120.570 -0.169 0.000 2.802 1228 I HA 0.667 4.907 4.170 -0.116 -0.139 0.298 1228 I C -2.200 173.874 176.117 -0.072 0.000 1.176 1228 I CA -1.209 60.027 61.300 -0.106 0.000 1.025 1228 I CB 5.074 43.029 38.000 -0.075 0.000 1.243 1228 I HN 0.734 8.843 8.210 -0.168 0.000 0.424 1229 A N 2.505 125.293 122.820 -0.054 0.000 2.486 1229 A HA 0.398 4.704 4.320 -0.022 0.000 0.289 1229 A C -3.029 174.542 177.584 -0.021 0.000 1.176 1229 A CA -1.518 50.501 52.037 -0.030 0.000 0.757 1229 A CB 3.178 22.162 19.000 -0.025 0.000 1.337 1229 A HN 0.769 8.883 8.150 -0.061 0.000 0.423 1230 D N -0.750 119.643 120.400 -0.011 0.000 2.192 1230 D HA 0.737 5.551 4.640 -0.006 -0.177 0.246 1230 D C 0.074 176.372 176.300 -0.004 0.000 1.042 1230 D CA -0.642 53.355 54.000 -0.006 0.000 0.847 1230 D CB 2.679 43.478 40.800 -0.001 0.000 1.186 1230 D HN 0.044 8.408 8.370 -0.009 0.000 0.461 1231 T N 0.000 114.554 114.554 -0.000 0.000 3.816 1231 T HA 0.000 4.350 4.350 0.001 0.000 0.228 1231 T CA 0.000 62.101 62.100 0.002 0.000 1.349 1231 T CB 0.000 68.868 68.868 0.000 0.000 0.612 1231 T HN 0.000 8.241 8.240 0.001 0.000 0.658