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 1jsp_1_B DATA FIRST_RESID 1077 DATA SEQUENCE GSHMRKKIFK PEELRQALMP TLEALYRQDP ESLPFRQPVD PQLLGIPDYF DATA SEQUENCE DIVKNPMDLS TIKRKLDTGQ YQEPWQYVDD VWLMFNNAWL YNRKTSRVYK DATA SEQUENCE FCSKLAEVFE QEIDPVMQSL G 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 1077 G HA2 0.000 nan 3.960 nan 0.000 0.244 1077 G HA3 0.000 3.991 3.960 0.051 0.000 0.244 1077 G C 0.000 174.946 174.900 0.076 0.000 0.946 1077 G CA 0.000 45.142 45.100 0.071 0.000 0.502 1078 S N -0.316 115.439 115.700 0.091 0.000 2.683 1078 S HA 0.027 4.550 4.470 0.088 0.000 0.269 1078 S C -1.473 173.232 174.600 0.176 0.000 1.165 1078 S CA -0.261 58.002 58.200 0.106 0.000 0.840 1078 S CB 1.668 64.918 63.200 0.084 0.000 1.169 1078 S HN -0.178 8.186 8.310 0.089 0.000 0.490 1079 H N 0.399 119.480 119.070 0.019 0.000 2.702 1079 H HA -0.048 4.514 4.556 0.011 0.000 0.328 1079 H C -1.557 173.786 175.328 0.025 0.000 1.111 1079 H CA 0.750 56.807 56.048 0.016 0.000 1.109 1079 H CB -0.234 29.534 29.762 0.010 0.000 1.606 1079 H HN 0.035 8.409 8.280 0.156 0.000 0.399 1080 M N 0.598 120.192 119.600 -0.011 0.000 2.744 1080 M HA 0.104 4.595 4.480 0.018 0.000 0.283 1080 M C -1.342 174.949 176.300 -0.014 0.000 1.275 1080 M CA -0.199 55.112 55.300 0.018 0.000 0.796 1080 M CB 2.323 34.987 32.600 0.106 0.000 1.739 1080 M HN -0.458 7.817 8.290 -0.026 0.000 0.454 1081 R N -0.428 120.084 120.500 0.019 0.000 2.640 1081 R HA 0.168 4.507 4.340 -0.003 0.000 0.240 1081 R C -1.767 174.565 176.300 0.054 0.000 1.519 1081 R CA 0.257 56.364 56.100 0.012 0.000 1.570 1081 R CB 0.462 30.753 30.300 -0.015 0.000 1.446 1081 R HN 0.400 8.692 8.270 0.037 0.000 0.738 1082 K N -0.644 119.819 120.400 0.106 0.000 2.455 1082 K HA 0.282 4.667 4.320 0.108 0.000 0.206 1082 K C -0.487 176.203 176.600 0.151 0.000 1.027 1082 K CA 0.149 56.521 56.287 0.143 0.000 1.113 1082 K CB 0.318 32.943 32.500 0.208 0.000 0.850 1082 K HN -0.017 8.311 8.250 0.129 0.000 0.503 1083 K N -2.577 117.877 120.400 0.091 0.000 2.334 1083 K HA -0.059 4.308 4.320 0.078 0.000 0.195 1083 K C 0.340 176.975 176.600 0.059 0.000 1.045 1083 K CA 1.276 57.596 56.287 0.055 0.000 1.004 1083 K CB -0.081 32.410 32.500 -0.014 0.000 0.837 1083 K HN -0.146 8.076 8.250 0.063 0.065 0.510 1084 I N -4.512 116.099 120.570 0.068 0.000 4.764 1084 I HA -0.512 3.734 4.170 0.127 0.000 0.043 1084 I C -0.416 175.818 176.117 0.197 0.000 0.630 1084 I CA 2.058 63.435 61.300 0.129 0.000 0.615 1084 I CB -1.662 36.424 38.000 0.143 0.000 0.591 1084 I HN 0.108 8.352 8.210 0.056 0.000 0.155 1085 F N -0.929 119.030 119.950 0.015 0.000 1.779 1085 F HA -0.024 4.504 4.527 0.002 0.000 0.242 1085 F C -1.751 174.051 175.800 0.002 0.000 1.262 1085 F CA 0.765 58.769 58.000 0.005 0.000 1.261 1085 F CB 2.106 41.109 39.000 0.005 0.000 2.036 1085 F HN 0.067 8.440 8.300 0.175 0.032 0.123 1086 K N -1.424 119.157 120.400 0.303 0.000 2.435 1086 K HA 0.548 4.947 4.320 0.131 0.000 0.251 1086 K C -2.088 174.569 176.600 0.095 0.000 0.954 1086 K CA -3.026 53.359 56.287 0.165 0.000 0.820 1086 K CB 1.706 34.303 32.500 0.161 0.000 1.292 1086 K HN -0.244 8.193 8.250 0.313 0.000 0.436 1087 P HA -0.254 4.191 4.420 0.042 0.000 0.217 1087 P C 1.032 178.350 177.300 0.031 0.000 1.150 1087 P CA 2.646 65.770 63.100 0.040 0.000 0.832 1087 P CB 0.416 32.131 31.700 0.026 0.000 0.787 1088 E N -1.203 119.014 120.200 0.028 0.000 2.051 1088 E HA -0.201 4.152 4.350 0.006 0.000 0.189 1088 E C 2.015 178.621 176.600 0.010 0.000 0.979 1088 E CA 3.270 59.678 56.400 0.013 0.000 0.803 1088 E CB -0.561 29.145 29.700 0.009 0.000 0.761 1088 E HN 0.375 8.742 8.360 0.035 0.014 0.451 1089 E N -1.368 118.844 120.200 0.020 0.000 2.219 1089 E HA -0.295 4.050 4.350 -0.008 0.000 0.198 1089 E C 2.419 179.032 176.600 0.023 0.000 0.998 1089 E CA 3.034 59.441 56.400 0.012 0.000 0.818 1089 E CB -0.496 29.217 29.700 0.022 0.000 0.741 1089 E HN 0.222 8.602 8.360 0.034 0.000 0.477 1090 L N -1.452 119.791 121.223 0.035 0.000 2.044 1090 L HA -0.275 4.091 4.340 0.043 0.000 0.205 1090 L C 1.775 178.637 176.870 -0.013 0.000 1.075 1090 L CA 3.083 57.941 54.840 0.029 0.000 0.747 1090 L CB -0.289 41.796 42.059 0.043 0.000 0.903 1090 L HN -0.232 7.890 8.230 0.043 0.133 0.435 1091 R N -1.357 119.130 120.500 -0.020 0.000 2.133 1091 R HA -0.471 3.823 4.340 -0.077 0.000 0.247 1091 R C 2.149 178.423 176.300 -0.043 0.000 1.151 1091 R CA 3.286 59.358 56.100 -0.046 0.000 0.971 1091 R CB -0.601 29.681 30.300 -0.030 0.000 0.866 1091 R HN -0.480 7.704 8.270 -0.005 0.083 0.447 1092 Q N -0.956 118.830 119.800 -0.023 0.000 1.941 1092 Q HA -0.271 4.057 4.340 -0.019 0.000 0.201 1092 Q C 2.428 178.421 176.000 -0.012 0.000 0.982 1092 Q CA 2.948 58.740 55.803 -0.017 0.000 0.839 1092 Q CB -0.031 28.699 28.738 -0.013 0.000 0.904 1092 Q HN -0.471 7.691 8.270 -0.015 0.098 0.427 1093 A N 0.624 123.443 122.820 -0.000 0.000 1.997 1093 A HA -0.385 3.948 4.320 0.022 0.000 0.221 1093 A C 2.106 179.696 177.584 0.010 0.000 1.172 1093 A CA 3.112 55.160 52.037 0.018 0.000 0.645 1093 A CB -0.612 18.412 19.000 0.039 0.000 0.813 1093 A HN -0.433 7.719 8.150 0.004 0.000 0.454 1094 L N -3.067 118.130 121.223 -0.044 0.000 2.131 1094 L HA -0.434 3.816 4.340 -0.150 0.000 0.210 1094 L C 2.422 179.244 176.870 -0.079 0.000 1.092 1094 L CA 2.584 57.339 54.840 -0.142 0.000 0.759 1094 L CB -0.335 41.566 42.059 -0.263 0.000 0.903 1094 L HN 0.642 8.717 8.230 -0.046 0.127 0.435 1095 M N -0.684 118.889 119.600 -0.045 0.000 2.066 1095 M HA -0.214 4.248 4.480 -0.030 0.000 0.259 1095 M C -0.917 175.397 176.300 0.023 0.000 1.074 1095 M CA 4.181 59.471 55.300 -0.017 0.000 1.114 1095 M CB -3.158 29.434 32.600 -0.013 0.000 1.306 1095 M HN 0.292 8.414 8.290 -0.044 0.141 0.411 1096 P HA -0.277 4.172 4.420 0.048 0.000 0.215 1096 P C 1.939 179.290 177.300 0.085 0.000 1.157 1096 P CA 3.397 66.528 63.100 0.051 0.000 0.874 1096 P CB -0.639 31.086 31.700 0.042 0.000 0.790 1097 T N -2.345 112.274 114.554 0.108 0.000 3.007 1097 T HA -0.251 4.305 4.350 0.181 -0.097 0.270 1097 T C 1.075 175.904 174.700 0.216 0.000 1.107 1097 T CA 2.944 65.159 62.100 0.190 0.000 1.118 1097 T CB -0.374 68.654 68.868 0.268 0.000 0.889 1097 T HN -0.510 7.782 8.240 0.086 0.000 0.506 1098 L N 1.554 122.860 121.223 0.139 0.000 2.109 1098 L HA -0.176 4.271 4.340 0.179 0.000 0.207 1098 L C 2.390 179.369 176.870 0.181 0.000 1.086 1098 L CA 2.736 57.660 54.840 0.139 0.000 0.760 1098 L CB -0.995 41.085 42.059 0.036 0.000 0.910 1098 L HN 0.126 8.206 8.230 0.088 0.202 0.437 1099 E N -0.909 119.371 120.200 0.133 0.000 2.110 1099 E HA -0.376 4.051 4.350 0.128 0.000 0.193 1099 E C 1.912 178.590 176.600 0.130 0.000 0.988 1099 E CA 3.088 59.561 56.400 0.122 0.000 0.804 1099 E CB 0.146 29.897 29.700 0.084 0.000 0.745 1099 E HN -0.184 8.143 8.360 0.105 0.096 0.458 1100 A N -0.914 121.994 122.820 0.147 0.000 1.832 1100 A HA -0.179 4.217 4.320 0.126 0.000 0.214 1100 A C 2.281 179.978 177.584 0.188 0.000 1.242 1100 A CA 2.595 54.727 52.037 0.158 0.000 0.603 1100 A CB -0.557 18.547 19.000 0.175 0.000 0.902 1100 A HN -0.526 7.617 8.150 0.150 0.097 0.455 1101 L N -2.361 119.010 121.223 0.248 0.000 2.043 1101 L HA -0.311 4.144 4.340 0.192 0.000 0.212 1101 L C 0.909 177.864 176.870 0.141 0.000 1.075 1101 L CA 2.823 57.780 54.840 0.196 0.000 0.752 1101 L CB 0.435 42.621 42.059 0.213 0.000 0.891 1101 L HN -0.436 7.967 8.230 0.288 0.000 0.432 1102 Y N -1.911 118.410 120.300 0.035 0.000 2.902 1102 Y HA 0.074 4.619 4.550 -0.009 0.000 0.353 1102 Y C -1.173 174.747 175.900 0.034 0.000 1.116 1102 Y CA -1.029 57.079 58.100 0.012 0.000 1.222 1102 Y CB -0.826 37.635 38.460 0.002 0.000 1.302 1102 Y HN -0.013 8.326 8.280 0.294 0.116 0.590 1103 R N 2.243 122.735 120.500 -0.012 0.000 2.391 1103 R HA 0.027 4.463 4.340 0.062 -0.058 0.249 1103 R C -0.594 175.675 176.300 -0.052 0.000 0.957 1103 R CA -0.415 55.692 56.100 0.012 0.000 1.093 1103 R CB 0.131 30.450 30.300 0.031 0.000 1.156 1103 R HN -0.201 8.044 8.270 -0.043 0.000 0.526 1104 Q N -4.883 114.807 119.800 -0.184 0.000 2.461 1104 Q HA -0.283 3.885 4.340 -0.286 0.000 0.264 1104 Q C -1.252 174.689 176.000 -0.099 0.000 1.085 1104 Q CA 1.515 57.217 55.803 -0.168 0.000 1.006 1104 Q CB -1.354 27.358 28.738 -0.043 0.000 1.437 1104 Q HN 0.067 8.031 8.270 -0.356 0.092 0.514 1105 D N -2.323 118.024 120.400 -0.089 0.000 2.384 1105 D HA 0.358 4.983 4.640 -0.026 0.000 0.250 1105 D C -0.592 175.691 176.300 -0.029 0.000 1.029 1105 D CA -2.624 51.355 54.000 -0.035 0.000 0.990 1105 D CB 1.101 41.899 40.800 -0.003 0.000 1.175 1105 D HN -0.582 7.689 8.370 -0.118 0.028 0.532 1106 P HA -0.186 4.225 4.420 -0.016 0.000 0.217 1106 P C 1.127 178.453 177.300 0.043 0.000 1.148 1106 P CA 2.310 65.413 63.100 0.005 0.000 0.828 1106 P CB 0.104 31.813 31.700 0.015 0.000 0.783 1107 E N -2.919 117.326 120.200 0.076 0.000 2.204 1107 E HA -0.188 4.326 4.350 0.215 -0.034 0.195 1107 E C 0.907 177.632 176.600 0.208 0.000 0.990 1107 E CA 2.540 59.038 56.400 0.163 0.000 0.821 1107 E CB -0.917 28.869 29.700 0.144 0.000 0.750 1107 E HN 0.602 8.969 8.360 0.054 0.025 0.477 1108 S N -4.152 111.598 115.700 0.084 0.000 2.574 1108 S HA 0.136 4.750 4.470 0.240 0.000 0.242 1108 S C 0.164 174.743 174.600 -0.036 0.000 0.982 1108 S CA -0.396 57.828 58.200 0.040 0.000 0.977 1108 S CB 0.159 63.245 63.200 -0.189 0.000 0.814 1108 S HN -0.022 8.131 8.310 0.021 0.170 0.464 1109 L N 1.717 122.926 121.223 -0.024 0.000 2.200 1109 L HA 0.214 4.509 4.340 -0.075 0.000 0.200 1109 L C -1.770 175.047 176.870 -0.087 0.000 1.072 1109 L CA 2.745 57.546 54.840 -0.065 0.000 0.787 1109 L CB -1.251 40.768 42.059 -0.067 0.000 0.957 1109 L HN -0.355 7.699 8.230 0.006 0.180 0.459 1110 P HA -0.025 4.241 4.420 -0.256 0.000 0.240 1110 P C 1.870 179.024 177.300 -0.243 0.000 1.190 1110 P CA 1.385 64.278 63.100 -0.346 0.000 0.781 1110 P CB -0.355 30.851 31.700 -0.825 0.000 0.931 1111 F N -0.336 119.518 119.950 -0.161 0.000 2.171 1111 F HA -0.277 4.243 4.527 -0.012 0.000 0.300 1111 F C 1.449 177.216 175.800 -0.056 0.000 1.090 1111 F CA 2.959 60.922 58.000 -0.062 0.000 1.293 1111 F CB 0.092 39.063 39.000 -0.048 0.000 1.013 1111 F HN 0.019 8.334 8.300 0.096 0.042 0.486 1112 R N -2.242 118.368 120.500 0.184 0.000 2.323 1112 R HA -0.155 4.365 4.340 0.134 -0.100 0.198 1112 R C -0.440 175.893 176.300 0.055 0.000 0.988 1112 R CA 1.181 57.350 56.100 0.116 0.000 1.041 1112 R CB -0.339 30.022 30.300 0.101 0.000 0.926 1112 R HN -0.172 8.172 8.270 0.142 0.011 0.476 1113 Q N -0.100 119.707 119.800 0.013 0.000 2.656 1113 Q HA 0.277 4.616 4.340 -0.001 0.000 0.389 1113 Q C -2.082 173.898 176.000 -0.033 0.000 0.883 1113 Q CA -2.174 53.616 55.803 -0.021 0.000 1.056 1113 Q CB 0.716 29.418 28.738 -0.061 0.000 1.391 1113 Q HN -0.449 7.604 8.270 -0.002 0.216 0.399 1114 P HA 0.007 4.431 4.420 0.006 0.000 0.312 1114 P C -1.634 175.690 177.300 0.039 0.000 1.307 1114 P CA -0.420 62.705 63.100 0.042 0.000 0.738 1114 P CB 1.451 33.220 31.700 0.116 0.000 1.422 1115 V N -0.995 118.963 119.914 0.072 0.000 2.815 1115 V HA 0.101 4.205 4.120 -0.026 0.000 0.314 1115 V C -1.770 174.327 176.094 0.004 0.000 1.064 1115 V CA -1.966 60.327 62.300 -0.013 0.000 0.952 1115 V CB 2.797 34.563 31.823 -0.095 0.000 1.020 1115 V HN 0.035 8.313 8.190 0.146 0.000 0.439 1116 D N 4.968 125.331 120.400 -0.061 0.000 2.717 1116 D HA 0.322 5.014 4.640 0.087 0.000 0.223 1116 D C -1.587 174.689 176.300 -0.040 0.000 1.240 1116 D CA -2.254 51.751 54.000 0.009 0.000 0.801 1116 D CB 2.663 43.511 40.800 0.080 0.000 1.556 1116 D HN -0.190 8.132 8.370 -0.080 0.000 0.462 1117 P HA -0.252 4.150 4.420 -0.030 0.000 0.219 1117 P C 0.616 177.932 177.300 0.027 0.000 1.144 1117 P CA 2.053 65.170 63.100 0.027 0.000 0.806 1117 P CB 0.329 32.113 31.700 0.141 0.000 0.771 1118 Q N -2.152 117.671 119.800 0.038 0.000 2.297 1118 Q HA -0.107 4.253 4.340 0.032 0.000 0.204 1118 Q C 0.021 176.026 176.000 0.009 0.000 0.962 1118 Q CA 1.721 57.542 55.803 0.029 0.000 0.879 1118 Q CB 1.239 29.999 28.738 0.036 0.000 0.947 1118 Q HN 0.412 9.235 8.270 0.053 -0.521 0.462 1119 L N -5.798 115.422 121.223 -0.005 0.000 2.568 1119 L HA 0.361 4.694 4.340 -0.012 0.000 0.262 1119 L C -0.942 175.906 176.870 -0.037 0.000 0.980 1119 L CA -0.147 54.683 54.840 -0.016 0.000 0.882 1119 L CB 0.873 42.926 42.059 -0.009 0.000 1.198 1119 L HN 0.025 8.082 8.230 -0.009 0.168 0.425 1120 L N -0.066 121.133 121.223 -0.040 0.000 3.678 1120 L HA -0.303 4.008 4.340 -0.048 0.000 0.425 1120 L C -0.185 176.625 176.870 -0.101 0.000 1.240 1120 L CA 0.699 55.506 54.840 -0.056 0.000 0.876 1120 L CB -0.836 41.196 42.059 -0.045 0.000 1.766 1120 L HN 0.435 8.648 8.230 -0.029 0.000 0.917 1121 G N -1.531 107.196 108.800 -0.122 0.000 2.712 1121 G HA2 -0.118 3.693 3.960 -0.334 0.000 0.258 1121 G HA3 -0.118 3.741 3.960 -0.225 -0.033 0.258 1121 G C -1.219 173.515 174.900 -0.276 0.000 1.241 1121 G CA -0.178 44.770 45.100 -0.253 0.000 0.923 1121 G HN -0.192 8.046 8.290 -0.082 0.003 0.548 1122 I N -4.240 116.051 120.570 -0.466 0.000 2.750 1122 I HA 0.485 4.563 4.170 -0.152 0.000 0.308 1122 I C -2.349 173.680 176.117 -0.147 0.000 1.016 1122 I CA -3.454 57.689 61.300 -0.262 0.000 1.098 1122 I CB 1.458 39.299 38.000 -0.264 0.000 1.279 1122 I HN 0.026 7.715 8.210 -0.868 0.000 0.454 1123 P HA -0.078 4.337 4.420 -0.007 0.000 0.264 1123 P C -1.922 175.384 177.300 0.011 0.000 1.183 1123 P CA 0.253 63.347 63.100 -0.009 0.000 0.763 1123 P CB 0.173 31.883 31.700 0.015 0.000 0.807 1124 D N -1.396 119.031 120.400 0.045 0.000 3.617 1124 D HA -0.327 4.369 4.640 0.093 0.000 0.226 1124 D C -1.298 175.122 176.300 0.201 0.000 1.125 1124 D CA 1.258 55.308 54.000 0.083 0.000 1.083 1124 D CB -0.399 40.407 40.800 0.010 0.000 0.833 1124 D HN 0.170 8.558 8.370 0.030 0.000 0.399 1125 Y N -1.283 119.097 120.300 0.133 0.000 2.636 1125 Y HA 0.072 4.615 4.550 -0.011 0.000 0.260 1125 Y C -0.854 175.164 175.900 0.197 0.000 1.177 1125 Y CA -0.952 57.218 58.100 0.117 0.000 1.209 1125 Y CB 0.323 38.856 38.460 0.122 0.000 1.166 1125 Y HN -0.098 8.455 8.280 0.455 0.000 0.531 1126 F N -1.869 118.091 119.950 0.017 0.000 2.731 1126 F HA -0.016 4.494 4.527 -0.028 0.000 0.298 1126 F C -0.760 175.017 175.800 -0.038 0.000 1.106 1126 F CA 1.451 59.442 58.000 -0.016 0.000 1.329 1126 F CB 0.400 39.409 39.000 0.015 0.000 1.100 1126 F HN -0.131 8.384 8.300 0.473 0.068 0.592 1127 D N -1.947 118.518 120.400 0.108 0.000 2.454 1127 D HA 0.100 4.775 4.640 0.059 0.000 0.214 1127 D C 0.308 176.609 176.300 0.002 0.000 1.088 1127 D CA 1.265 55.297 54.000 0.054 0.000 0.855 1127 D CB 0.393 41.236 40.800 0.072 0.000 1.025 1127 D HN -0.088 8.310 8.370 0.115 0.041 0.502 1128 I N -8.450 112.076 120.570 -0.074 0.000 4.057 1128 I HA 0.148 4.338 4.170 0.034 0.000 0.334 1128 I C -1.065 174.943 176.117 -0.180 0.000 1.308 1128 I CA 0.646 61.901 61.300 -0.075 0.000 1.125 1128 I CB 0.673 38.574 38.000 -0.164 0.000 1.034 1128 I HN -0.424 7.730 8.210 -0.095 0.000 0.401 1129 V N -2.447 117.267 119.914 -0.333 0.000 3.602 1129 V HA 0.028 4.002 4.120 -0.244 0.000 0.186 1129 V C 0.295 176.184 176.094 -0.341 0.000 1.444 1129 V CA 0.307 62.353 62.300 -0.423 0.000 1.221 1129 V CB 1.836 33.038 31.823 -1.036 0.000 1.180 1129 V HN -0.951 7.063 8.190 -0.293 0.000 0.554 1130 K N -0.098 120.051 120.400 -0.418 0.000 10.392 1130 K HA -0.405 3.446 4.320 -0.782 0.000 0.519 1130 K C -1.217 175.128 176.600 -0.426 0.000 0.376 1130 K CA 2.754 58.750 56.287 -0.485 0.000 1.951 1130 K CB -0.947 31.387 32.500 -0.277 0.000 0.744 1130 K HN 0.320 8.180 8.250 -0.456 0.116 1.160 1131 N N 0.693 119.243 118.700 -0.251 0.000 2.762 1131 N HA 0.378 5.024 4.740 -0.157 0.000 0.252 1131 N C -2.491 172.968 175.510 -0.085 0.000 1.269 1131 N CA -3.256 49.704 53.050 -0.150 0.000 0.799 1131 N CB 1.544 39.972 38.487 -0.098 0.000 1.173 1131 N HN 0.172 8.374 8.380 -0.211 0.051 0.516 1132 P HA 0.147 4.560 4.420 -0.013 0.000 0.274 1132 P C -1.399 175.916 177.300 0.026 0.000 1.256 1132 P CA -0.339 62.759 63.100 -0.004 0.000 0.795 1132 P CB 0.853 32.593 31.700 0.068 0.000 1.038 1133 M N -0.935 118.691 119.600 0.043 0.000 2.846 1133 M HA 0.210 4.700 4.480 0.016 0.000 0.282 1133 M C -1.938 174.392 176.300 0.051 0.000 1.266 1133 M CA -1.886 53.428 55.300 0.024 0.000 0.766 1133 M CB 3.594 36.187 32.600 -0.011 0.000 1.739 1133 M HN 0.191 8.518 8.290 0.062 0.000 0.442 1134 D N -1.321 119.096 120.400 0.029 0.000 2.646 1134 D HA 0.109 4.814 4.640 0.109 0.000 0.245 1134 D C -0.487 175.831 176.300 0.030 0.000 1.099 1134 D CA -1.845 52.190 54.000 0.059 0.000 0.849 1134 D CB 2.244 43.072 40.800 0.047 0.000 1.448 1134 D HN -0.181 8.188 8.370 -0.001 0.000 0.489 1135 L N 1.595 122.852 121.223 0.057 0.000 2.351 1135 L HA -0.344 3.940 4.340 -0.093 0.000 0.220 1135 L C 0.757 177.681 176.870 0.090 0.000 1.127 1135 L CA 2.453 57.310 54.840 0.028 0.000 0.786 1135 L CB 0.022 42.126 42.059 0.075 0.000 0.914 1135 L HN -0.158 8.152 8.230 0.133 0.000 0.443 1136 S N -5.000 110.750 115.700 0.084 0.000 2.446 1136 S HA -0.219 4.274 4.470 0.039 0.000 0.225 1136 S C 1.319 175.893 174.600 -0.042 0.000 1.016 1136 S CA 2.958 61.180 58.200 0.038 0.000 0.943 1136 S CB -0.466 62.770 63.200 0.061 0.000 0.786 1136 S HN -0.029 8.283 8.310 0.085 0.048 0.508 1137 T N 5.090 119.618 114.554 -0.042 0.000 2.668 1137 T HA -0.297 4.009 4.350 -0.073 0.000 0.258 1137 T C 1.260 175.883 174.700 -0.129 0.000 1.051 1137 T CA 4.396 66.449 62.100 -0.078 0.000 1.155 1137 T CB -0.132 68.698 68.868 -0.063 0.000 0.864 1137 T HN -0.090 8.164 8.240 -0.018 -0.025 0.413 1138 I N -0.006 120.487 120.570 -0.129 0.000 2.502 1138 I HA -0.444 3.577 4.170 -0.248 0.000 0.258 1138 I C 0.912 176.956 176.117 -0.122 0.000 1.172 1138 I CA 2.861 64.075 61.300 -0.143 0.000 1.430 1138 I CB -0.126 37.834 38.000 -0.066 0.000 1.086 1138 I HN -0.669 7.481 8.210 -0.100 0.000 0.440 1139 K N -1.429 118.873 120.400 -0.163 0.000 2.116 1139 K HA -0.203 3.967 4.320 -0.249 0.000 0.203 1139 K C 2.223 178.709 176.600 -0.190 0.000 1.052 1139 K CA 2.215 58.351 56.287 -0.252 0.000 0.952 1139 K CB -0.682 31.549 32.500 -0.450 0.000 0.729 1139 K HN -0.609 7.412 8.250 -0.146 0.142 0.446 1140 R N -1.679 118.732 120.500 -0.148 0.000 2.152 1140 R HA -0.285 3.994 4.340 -0.103 0.000 0.232 1140 R C 1.614 177.853 176.300 -0.102 0.000 1.117 1140 R CA 2.287 58.321 56.100 -0.110 0.000 0.981 1140 R CB -0.268 29.979 30.300 -0.088 0.000 0.870 1140 R HN -0.127 7.953 8.270 -0.140 0.106 0.451 1141 K N -2.576 117.748 120.400 -0.128 0.000 2.358 1141 K HA 0.170 4.452 4.320 -0.065 0.000 0.197 1141 K C 0.749 177.320 176.600 -0.047 0.000 1.025 1141 K CA 1.111 57.335 56.287 -0.105 0.000 1.104 1141 K CB -0.042 32.314 32.500 -0.240 0.000 0.855 1141 K HN -0.504 7.517 8.250 -0.154 0.136 0.531 1142 L N 0.999 122.174 121.223 -0.080 0.000 2.084 1142 L HA -0.211 4.104 4.340 -0.043 0.000 0.202 1142 L C 1.096 177.905 176.870 -0.101 0.000 1.074 1142 L CA 2.638 57.423 54.840 -0.091 0.000 0.757 1142 L CB 0.171 42.140 42.059 -0.151 0.000 0.918 1142 L HN -0.756 7.211 8.230 -0.116 0.194 0.444 1143 D N -4.407 115.928 120.400 -0.110 0.000 2.221 1143 D HA -0.266 4.319 4.640 -0.092 0.000 0.204 1143 D C 0.046 176.313 176.300 -0.054 0.000 0.982 1143 D CA 3.021 56.968 54.000 -0.087 0.000 0.857 1143 D CB 0.734 41.480 40.800 -0.089 0.000 0.934 1143 D HN -0.575 7.717 8.370 -0.129 0.000 0.475 1144 T N -5.578 108.952 114.554 -0.040 0.000 2.865 1144 T HA 0.053 4.393 4.350 -0.017 0.000 0.302 1144 T C 0.314 175.016 174.700 0.003 0.000 1.078 1144 T CA -1.262 60.828 62.100 -0.015 0.000 0.942 1144 T CB 1.549 70.412 68.868 -0.009 0.000 1.387 1144 T HN -0.830 7.345 8.240 -0.048 0.036 0.557 1145 G N -3.215 105.596 108.800 0.019 0.000 3.609 1145 G HA2 0.094 4.069 3.960 0.025 0.000 0.280 1145 G HA3 0.094 4.068 3.960 0.024 0.000 0.280 1145 G C -0.053 174.887 174.900 0.067 0.000 1.155 1145 G CA -0.281 44.838 45.100 0.032 0.000 0.876 1145 G HN -0.033 8.266 8.290 0.016 0.000 0.535 1146 Q N 1.801 121.663 119.800 0.104 0.000 2.036 1146 Q HA -0.160 4.274 4.340 0.157 0.000 0.195 1146 Q C 0.825 177.041 176.000 0.361 0.000 0.971 1146 Q CA 2.469 58.393 55.803 0.202 0.000 0.826 1146 Q CB 1.006 29.848 28.738 0.174 0.000 0.896 1146 Q HN -0.467 7.754 8.270 0.077 0.095 0.449 1147 Y N -1.932 118.389 120.300 0.035 0.000 2.724 1147 Y HA 0.086 4.702 4.550 0.109 0.000 0.370 1147 Y C -0.130 175.805 175.900 0.058 0.000 0.978 1147 Y CA -1.285 56.867 58.100 0.086 0.000 1.443 1147 Y CB -0.916 37.622 38.460 0.129 0.000 1.386 1147 Y HN -0.506 7.974 8.280 0.333 0.000 0.557 1148 Q N -2.205 117.658 119.800 0.105 0.000 2.187 1148 Q HA -0.193 4.140 4.340 -0.013 0.000 0.199 1148 Q C 0.145 176.187 176.000 0.070 0.000 0.957 1148 Q CA 0.918 56.745 55.803 0.040 0.000 0.857 1148 Q CB 0.163 28.916 28.738 0.026 0.000 0.929 1148 Q HN -0.396 7.873 8.270 0.097 0.060 0.453 1149 E N 1.456 121.699 120.200 0.072 0.000 2.324 1149 E HA 0.056 4.469 4.350 0.104 0.000 0.271 1149 E C -0.913 175.808 176.600 0.201 0.000 1.028 1149 E CA -2.100 54.363 56.400 0.106 0.000 0.890 1149 E CB 0.217 29.950 29.700 0.054 0.000 1.004 1149 E HN -0.167 8.217 8.360 0.039 0.000 0.431 1150 P HA -0.228 4.468 4.420 0.459 0.000 0.217 1150 P C 0.379 177.828 177.300 0.247 0.000 1.148 1150 P CA 2.340 65.622 63.100 0.303 0.000 0.828 1150 P CB -0.030 31.809 31.700 0.231 0.000 0.783 1151 W N -2.280 119.041 121.300 0.035 0.000 2.317 1151 W HA -0.397 4.257 4.660 -0.011 0.000 0.318 1151 W C 1.285 177.767 176.519 -0.061 0.000 1.227 1151 W CA 3.636 60.968 57.345 -0.022 0.000 1.269 1151 W CB -0.868 28.559 29.460 -0.055 0.000 1.155 1151 W HN -0.263 8.118 8.180 0.363 0.018 0.484 1152 Q N -2.858 117.069 119.800 0.212 0.000 2.049 1152 Q HA -0.380 3.905 4.340 -0.090 0.000 0.198 1152 Q C 2.404 178.407 176.000 0.004 0.000 0.971 1152 Q CA 3.473 59.152 55.803 -0.207 0.000 0.833 1152 Q CB -0.113 28.134 28.738 -0.820 0.000 0.896 1152 Q HN -0.664 7.736 8.270 0.217 0.000 0.434 1153 Y N 1.292 121.631 120.300 0.064 0.000 2.070 1153 Y HA -0.405 4.450 4.550 0.509 0.000 0.280 1153 Y C 1.828 177.873 175.900 0.241 0.000 1.148 1153 Y CA 3.065 61.335 58.100 0.282 0.000 1.125 1153 Y CB -0.179 38.405 38.460 0.206 0.000 0.975 1153 Y HN 0.329 8.759 8.280 0.249 0.000 0.492 1154 V N -2.146 117.733 119.914 -0.059 0.000 2.568 1154 V HA -0.586 3.428 4.120 -0.177 0.000 0.253 1154 V C 2.011 178.132 176.094 0.044 0.000 1.072 1154 V CA 4.512 66.775 62.300 -0.061 0.000 1.084 1154 V CB -1.069 30.788 31.823 0.057 0.000 0.676 1154 V HN 0.584 8.744 8.190 0.165 0.129 0.469 1155 D N 1.154 121.554 120.400 0.000 0.000 2.084 1155 D HA -0.249 4.329 4.640 -0.103 0.000 0.194 1155 D C 2.318 178.679 176.300 0.102 0.000 0.990 1155 D CA 3.684 57.679 54.000 -0.009 0.000 0.826 1155 D CB -0.513 40.279 40.800 -0.014 0.000 0.971 1155 D HN -0.340 7.911 8.370 0.007 0.123 0.453 1156 D N -0.059 120.446 120.400 0.174 0.000 2.117 1156 D HA -0.152 4.556 4.640 0.113 0.000 0.198 1156 D C 2.386 178.693 176.300 0.013 0.000 0.982 1156 D CA 3.593 57.671 54.000 0.131 0.000 0.828 1156 D CB 0.070 40.990 40.800 0.201 0.000 0.967 1156 D HN -0.374 8.151 8.370 0.260 0.000 0.464 1157 V N 0.529 120.398 119.914 -0.076 0.000 2.255 1157 V HA -0.442 3.438 4.120 -0.400 0.000 0.247 1157 V C 1.908 178.005 176.094 0.005 0.000 1.051 1157 V CA 4.600 66.756 62.300 -0.239 0.000 1.018 1157 V CB -0.447 31.136 31.823 -0.401 0.000 0.641 1157 V HN 0.312 8.453 8.190 -0.081 0.000 0.445 1158 W N 0.132 121.430 121.300 -0.002 0.000 2.355 1158 W HA -0.332 4.441 4.660 0.189 0.000 0.309 1158 W C 2.111 178.658 176.519 0.047 0.000 1.206 1158 W CA 3.916 61.309 57.345 0.079 0.000 1.284 1158 W CB -0.169 29.286 29.460 -0.008 0.000 1.145 1158 W HN 0.106 8.337 8.180 0.288 0.122 0.502 1159 L N -0.233 121.192 121.223 0.336 0.000 2.017 1159 L HA -0.533 3.948 4.340 0.235 0.000 0.208 1159 L C 1.872 178.823 176.870 0.135 0.000 1.073 1159 L CA 3.193 58.151 54.840 0.196 0.000 0.745 1159 L CB -0.293 41.821 42.059 0.092 0.000 0.894 1159 L HN 0.129 8.523 8.230 0.274 0.000 0.432 1160 M N -1.103 118.527 119.600 0.050 0.000 2.260 1160 M HA -0.388 4.131 4.480 0.066 0.000 0.261 1160 M C 1.403 177.756 176.300 0.088 0.000 1.066 1160 M CA 2.945 58.247 55.300 0.003 0.000 1.082 1160 M CB -0.395 32.085 32.600 -0.200 0.000 1.388 1160 M HN 0.553 8.730 8.290 0.031 0.132 0.419 1161 F N -2.366 117.617 119.950 0.056 0.000 2.094 1161 F HA -0.304 4.438 4.527 0.357 0.000 0.291 1161 F C 2.239 178.093 175.800 0.089 0.000 1.109 1161 F CA 2.852 60.861 58.000 0.015 0.000 1.221 1161 F CB -0.160 38.544 39.000 -0.492 0.000 1.014 1161 F HN -0.306 7.896 8.300 0.098 0.157 0.473 1162 N N -0.023 118.846 118.700 0.281 0.000 2.192 1162 N HA -0.421 4.549 4.740 0.383 0.000 0.188 1162 N C 2.483 178.159 175.510 0.277 0.000 1.013 1162 N CA 3.449 56.684 53.050 0.310 0.000 0.863 1162 N CB -0.124 38.535 38.487 0.288 0.000 0.990 1162 N HN 0.522 8.956 8.380 0.279 0.114 0.430 1163 N N -0.150 118.675 118.700 0.208 0.000 2.272 1163 N HA -0.323 4.399 4.740 -0.030 0.000 0.185 1163 N C -1.190 174.471 175.510 0.252 0.000 1.014 1163 N CA 2.843 55.972 53.050 0.130 0.000 0.870 1163 N CB 0.474 39.039 38.487 0.130 0.000 0.975 1163 N HN 0.534 8.820 8.380 0.209 0.220 0.433 1164 A N -5.294 117.741 122.820 0.359 0.000 2.812 1164 A HA 0.297 4.880 4.320 0.310 -0.077 0.294 1164 A C -1.906 175.989 177.584 0.517 0.000 1.014 1164 A CA -0.994 51.260 52.037 0.362 0.000 1.024 1164 A CB -0.964 18.164 19.000 0.213 0.000 1.162 1164 A HN 0.336 8.557 8.150 0.421 0.181 0.511 1165 W N -1.630 119.790 121.300 0.200 0.000 4.417 1165 W HA 0.228 5.015 4.660 0.212 0.000 0.180 1165 W C 0.873 177.464 176.519 0.120 0.000 1.106 1165 W CA 2.060 59.514 57.345 0.181 0.000 1.666 1165 W CB 2.615 32.196 29.460 0.203 0.000 0.608 1165 W HN 0.005 8.411 8.180 0.494 0.071 0.974 1166 L N -0.232 121.237 121.223 0.411 0.000 2.261 1166 L HA -0.315 4.190 4.340 0.274 0.000 0.216 1166 L C 0.459 177.559 176.870 0.383 0.000 1.114 1166 L CA 2.459 57.505 54.840 0.344 0.000 0.777 1166 L CB 0.137 42.402 42.059 0.343 0.000 0.910 1166 L HN -0.715 7.780 8.230 0.442 0.000 0.440 1167 Y N -5.990 114.367 120.300 0.096 0.000 2.742 1167 Y HA 0.075 4.643 4.550 0.030 0.000 0.248 1167 Y C -0.968 174.950 175.900 0.030 0.000 1.132 1167 Y CA -0.926 57.212 58.100 0.063 0.000 1.142 1167 Y CB -0.158 38.377 38.460 0.124 0.000 1.222 1167 Y HN -0.117 8.365 8.280 0.398 0.037 0.575 1168 N N -0.317 118.415 118.700 0.052 0.000 2.276 1168 N HA 0.061 4.839 4.740 0.062 0.000 0.212 1168 N C -0.967 174.467 175.510 -0.127 0.000 1.127 1168 N CA -0.372 52.675 53.050 -0.006 0.000 0.834 1168 N CB 0.352 38.830 38.487 -0.016 0.000 1.014 1168 N HN -0.634 7.656 8.380 0.027 0.107 0.491 1169 R N -4.431 115.944 120.500 -0.208 0.000 3.888 1169 R HA -0.416 3.771 4.340 -0.256 0.000 0.463 1169 R C -1.371 174.662 176.300 -0.445 0.000 0.241 1169 R CA 1.461 57.410 56.100 -0.253 0.000 1.458 1169 R CB -0.075 30.146 30.300 -0.132 0.000 1.053 1169 R HN -0.092 7.977 8.270 -0.198 0.082 0.540 1170 K N -2.475 117.736 120.400 -0.315 0.000 2.438 1170 K HA 0.130 3.871 4.320 -0.965 0.000 0.206 1170 K C -1.159 175.472 176.600 0.053 0.000 1.081 1170 K CA 0.375 56.447 56.287 -0.357 0.000 1.053 1170 K CB 0.778 33.111 32.500 -0.277 0.000 0.908 1170 K HN 0.209 8.341 8.250 -0.195 0.000 0.556 1171 T N -3.217 111.352 114.554 0.026 0.000 4.645 1171 T HA 0.185 4.561 4.350 0.044 0.000 0.311 1171 T C -0.478 174.215 174.700 -0.012 0.000 0.904 1171 T CA -0.103 62.011 62.100 0.023 0.000 0.907 1171 T CB -0.295 68.570 68.868 -0.005 0.000 0.959 1171 T HN -0.269 7.948 8.240 -0.038 0.000 0.417 1172 S N 1.622 117.314 115.700 -0.014 0.000 2.505 1172 S HA 0.392 4.854 4.470 -0.013 0.000 0.273 1172 S C -0.415 174.176 174.600 -0.015 0.000 1.123 1172 S CA -0.819 57.372 58.200 -0.016 0.000 1.006 1172 S CB 1.024 64.215 63.200 -0.015 0.000 1.243 1172 S HN -0.206 8.104 8.310 0.001 0.000 0.498 1173 R N 1.113 121.624 120.500 0.019 0.000 2.978 1173 R HA 0.167 4.542 4.340 0.057 0.000 0.298 1173 R C -1.103 175.293 176.300 0.161 0.000 1.296 1173 R CA 0.702 56.845 56.100 0.072 0.000 1.181 1173 R CB -0.017 30.330 30.300 0.079 0.000 1.348 1173 R HN 0.502 8.787 8.270 0.025 0.000 0.585 1174 V N -2.596 117.324 119.914 0.010 0.000 3.155 1174 V HA 0.026 4.422 4.120 0.460 0.000 0.225 1174 V C -0.928 174.811 176.094 -0.591 0.000 1.462 1174 V CA 1.111 63.409 62.300 -0.003 0.000 1.270 1174 V CB 2.242 34.131 31.823 0.110 0.000 1.112 1174 V HN -0.455 7.605 8.190 -0.068 0.090 0.479 1175 Y N 2.902 122.879 120.300 -0.539 0.000 2.767 1175 Y HA 0.064 4.157 4.550 -0.762 0.000 0.354 1175 Y C -2.432 173.090 175.900 -0.631 0.000 1.292 1175 Y CA -0.332 57.370 58.100 -0.663 0.000 1.749 1175 Y CB -2.049 36.085 38.460 -0.544 0.000 1.841 1175 Y HN -0.438 7.767 8.280 -0.125 0.000 0.454 1176 K N 2.230 121.976 120.400 -1.090 0.000 3.095 1176 K HA -0.030 3.847 4.320 -0.738 0.000 0.220 1176 K C -0.105 176.167 176.600 -0.547 0.000 1.926 1176 K CA 1.006 56.849 56.287 -0.741 0.000 1.367 1176 K CB 1.400 33.635 32.500 -0.442 0.000 2.243 1176 K HN -0.637 6.629 8.250 -1.559 0.048 0.554 1177 F N -3.178 116.699 119.950 -0.122 0.000 2.373 1177 F HA 0.020 4.779 4.527 -0.024 -0.246 0.300 1177 F C 0.733 176.545 175.800 0.019 0.000 1.080 1177 F CA 0.730 58.699 58.000 -0.052 0.000 1.417 1177 F CB -0.611 38.347 39.000 -0.071 0.000 1.070 1177 F HN -0.086 7.590 8.300 -1.040 0.000 0.546 1178 C N -7.118 112.122 119.300 -0.099 0.000 2.791 1178 C HA 0.211 5.122 4.460 0.752 0.000 0.288 1178 C C 1.443 176.741 174.990 0.513 0.000 1.271 1178 C CA -1.587 57.633 59.018 0.337 0.000 1.726 1178 C CB 1.550 29.221 27.740 -0.115 0.000 2.145 1178 C HN -0.117 7.532 8.230 -0.881 0.053 0.572 1179 S N 2.425 118.149 115.700 0.040 0.000 2.447 1179 S HA -0.308 4.491 4.470 0.549 0.000 0.233 1179 S C 1.473 176.165 174.600 0.153 0.000 1.006 1179 S CA 3.382 61.620 58.200 0.063 0.000 0.957 1179 S CB -0.535 62.244 63.200 -0.701 0.000 0.773 1179 S HN -0.561 7.427 8.310 -0.340 0.118 0.507 1180 K N 0.960 121.440 120.400 0.134 0.000 2.305 1180 K HA -0.119 4.260 4.320 0.098 0.000 0.199 1180 K C 1.917 178.661 176.600 0.240 0.000 1.047 1180 K CA 2.201 58.574 56.287 0.144 0.000 0.976 1180 K CB -0.167 32.397 32.500 0.106 0.000 0.765 1180 K HN -0.651 7.625 8.250 0.118 0.045 0.474 1181 L N -1.218 120.238 121.223 0.388 0.000 2.209 1181 L HA -0.052 4.486 4.340 0.331 0.000 0.207 1181 L C 1.817 178.994 176.870 0.511 0.000 1.094 1181 L CA 1.931 57.045 54.840 0.457 0.000 0.790 1181 L CB -0.984 41.396 42.059 0.536 0.000 0.932 1181 L HN -0.595 7.761 8.230 0.463 0.152 0.447 1182 A N -0.777 122.215 122.820 0.286 0.000 1.929 1182 A HA -0.255 3.341 4.320 -1.207 0.000 0.216 1182 A C 2.203 179.833 177.584 0.076 0.000 1.176 1182 A CA 3.481 55.278 52.037 -0.399 0.000 0.628 1182 A CB -0.739 17.899 19.000 -0.603 0.000 0.816 1182 A HN -0.006 8.437 8.150 0.489 0.000 0.444 1183 E N -1.228 119.043 120.200 0.118 0.000 2.158 1183 E HA -0.169 4.172 4.350 -0.015 0.000 0.191 1183 E C 1.767 178.404 176.600 0.062 0.000 0.982 1183 E CA 2.061 58.495 56.400 0.056 0.000 0.823 1183 E CB 0.292 30.037 29.700 0.075 0.000 0.766 1183 E HN -0.596 7.868 8.360 0.172 0.000 0.468 1184 V N -0.963 119.040 119.914 0.150 0.000 2.788 1184 V HA -0.201 3.965 4.120 0.076 0.000 0.251 1184 V C 0.768 176.960 176.094 0.163 0.000 1.068 1184 V CA 2.286 64.667 62.300 0.134 0.000 1.090 1184 V CB 0.229 32.147 31.823 0.158 0.000 0.710 1184 V HN -0.550 7.763 8.190 0.205 0.000 0.467 1185 F N -1.462 118.501 119.950 0.023 0.000 2.317 1185 F HA 0.001 4.571 4.527 0.072 0.000 0.293 1185 F C 0.881 176.657 175.800 -0.039 0.000 1.085 1185 F CA 1.102 59.125 58.000 0.038 0.000 1.390 1185 F CB 0.087 39.158 39.000 0.118 0.000 1.077 1185 F HN -0.333 8.290 8.300 0.538 0.000 0.517 1186 E N -0.014 119.487 120.200 -1.164 0.000 2.267 1186 E HA -0.497 2.918 4.350 -1.558 0.000 0.197 1186 E C 1.989 178.292 176.600 -0.495 0.000 0.998 1186 E CA 3.444 59.183 56.400 -1.102 0.000 0.830 1186 E CB -0.678 28.594 29.700 -0.714 0.000 0.751 1186 E HN -0.365 7.693 8.360 -0.502 0.000 0.491 1187 Q N -2.781 116.847 119.800 -0.286 0.000 2.354 1187 Q HA -0.086 4.169 4.340 -0.141 0.000 0.203 1187 Q C 1.338 177.276 176.000 -0.102 0.000 0.933 1187 Q CA 2.145 57.861 55.803 -0.145 0.000 0.901 1187 Q CB 0.235 28.929 28.738 -0.073 0.000 1.007 1187 Q HN -0.220 7.862 8.270 -0.244 0.041 0.495 1188 E N -1.789 118.353 120.200 -0.097 0.000 2.447 1188 E HA -0.047 4.304 4.350 0.002 0.000 0.195 1188 E C 1.936 178.532 176.600 -0.007 0.000 1.028 1188 E CA 1.161 57.555 56.400 -0.009 0.000 0.876 1188 E CB 1.035 30.778 29.700 0.072 0.000 0.885 1188 E HN -0.074 8.010 8.360 -0.146 0.188 0.500 1189 I N -3.303 117.202 120.570 -0.107 0.000 2.480 1189 I HA -0.269 3.946 4.170 0.074 0.000 0.251 1189 I C 1.145 177.242 176.117 -0.033 0.000 1.124 1189 I CA 3.361 64.634 61.300 -0.046 0.000 1.444 1189 I CB -0.262 37.631 38.000 -0.178 0.000 1.098 1189 I HN 0.037 8.057 8.210 -0.251 0.039 0.428 1190 D N 2.205 122.558 120.400 -0.077 0.000 2.106 1190 D HA -0.131 4.491 4.640 -0.029 0.000 0.191 1190 D C -0.077 176.220 176.300 -0.005 0.000 0.997 1190 D CA 5.759 59.735 54.000 -0.039 0.000 0.834 1190 D CB -1.964 38.803 40.800 -0.056 0.000 0.956 1190 D HN -0.478 7.813 8.370 -0.133 0.000 0.448 1191 P HA -0.222 4.206 4.420 0.013 0.000 0.216 1191 P C -0.014 177.307 177.300 0.035 0.000 1.153 1191 P CA 2.226 65.335 63.100 0.015 0.000 0.858 1191 P CB -0.324 31.385 31.700 0.015 0.000 0.789 1192 V N -6.342 113.601 119.914 0.049 0.000 3.241 1192 V HA -0.295 3.868 4.120 0.072 0.000 0.269 1192 V C -0.197 175.946 176.094 0.082 0.000 1.151 1192 V CA 1.071 63.419 62.300 0.080 0.000 1.158 1192 V CB 0.161 32.061 31.823 0.128 0.000 0.764 1192 V HN -0.625 7.473 8.190 0.040 0.116 0.508 1193 M N -6.913 112.724 119.600 0.060 0.000 2.899 1193 M HA -0.418 4.140 4.480 0.043 -0.052 0.195 1193 M C 1.430 177.771 176.300 0.068 0.000 0.603 1193 M CA 1.506 56.842 55.300 0.060 0.000 0.712 1193 M CB -2.631 30.015 32.600 0.077 0.000 2.569 1193 M HN 0.272 8.350 8.290 0.043 0.238 0.406 1194 Q N 0.002 119.848 119.800 0.077 0.000 2.172 1194 Q HA -0.126 4.272 4.340 0.096 0.000 0.200 1194 Q C 0.368 176.395 176.000 0.046 0.000 0.964 1194 Q CA 2.589 58.441 55.803 0.082 0.000 0.855 1194 Q CB -0.384 28.420 28.738 0.110 0.000 0.918 1194 Q HN -0.378 7.886 8.270 0.075 0.051 0.444 1195 S N -1.977 113.738 115.700 0.025 0.000 2.597 1195 S HA 0.017 4.498 4.470 0.018 0.000 0.224 1195 S C -0.065 174.542 174.600 0.011 0.000 0.955 1195 S CA -0.783 57.423 58.200 0.011 0.000 0.933 1195 S CB -0.168 63.020 63.200 -0.020 0.000 0.788 1195 S HN -0.436 7.872 8.310 0.021 0.014 0.488 1196 L N 1.179 122.414 121.223 0.020 0.000 2.064 1196 L HA -0.227 4.124 4.340 0.017 0.000 0.216 1196 L C -0.176 176.700 176.870 0.009 0.000 1.077 1196 L CA 1.701 56.552 54.840 0.018 0.000 0.766 1196 L CB 0.388 42.464 42.059 0.029 0.000 0.890 1196 L HN -0.752 7.337 8.230 0.031 0.159 0.435 1197 G N 0.000 108.804 108.800 0.007 0.000 5.446 1197 G HA2 0.000 nan 3.960 nan 0.000 0.244 1197 G HA3 0.000 3.951 3.960 -0.015 0.000 0.244 1197 G CA 0.000 45.100 45.100 0.000 0.000 0.502 1197 G HN 0.000 8.292 8.290 0.012 0.005 0.925