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 2wd1_1_A DATA FIRST_RESID 1055 DATA SEQUENCE LSALNPELVQ AVQHVVIGPS SLIVHFNEVI GRGHFGCVYH GTLLDNDGKK DATA SEQUENCE IHCAVKSLNR ITDIGEVSQF LTEGIIMKDF SHPNVLSLLG ICLRXXXSPL DATA SEQUENCE VVLPYMKHGD LRNFIRNETH NPTVKDLIGF GLQVAKGMKY LASKKFVHRD DATA SEQUENCE LAARNCMLDE KFTVKVADFG LARDMYDKEY YSVHNKTGAK LPVKWMALES DATA SEQUENCE LQTQKFTTKS DVWSFGVLLW ELMTRGAPPY PDVNTFDITV YLLQGRRLLQ DATA SEQUENCE PEYCPDPLYE VMLKCWHPKA EMRPSFSELV SRISAIFSTF IG 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 1055 L HA 0.000 nan 4.340 nan 0.000 0.249 1055 L C 0.000 176.865 176.870 -0.008 0.000 1.165 1055 L CA 0.000 54.831 54.840 -0.014 0.000 0.813 1055 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 1056 S N -0.065 115.630 115.700 -0.009 0.000 2.453 1056 S HA -0.014 4.456 4.470 -0.000 0.000 0.231 1056 S C 1.432 176.029 174.600 -0.004 0.000 1.005 1056 S CA 0.871 59.068 58.200 -0.006 0.000 0.949 1056 S CB -0.093 63.102 63.200 -0.007 0.000 0.774 1056 S HN 0.689 nan 8.310 nan 0.000 0.510 1057 A N 0.973 123.789 122.820 -0.006 0.000 2.239 1057 A HA 0.382 4.701 4.320 -0.000 0.000 0.209 1057 A C 0.909 178.492 177.584 -0.001 0.000 1.171 1057 A CA -0.009 52.025 52.037 -0.004 0.000 0.768 1057 A CB -0.593 18.402 19.000 -0.007 0.000 0.790 1057 A HN 0.597 nan 8.150 nan 0.000 0.478 1058 L N 1.127 122.351 121.223 0.002 0.000 2.453 1058 L HA 0.018 4.358 4.340 -0.000 0.000 0.272 1058 L C 0.664 177.538 176.870 0.006 0.000 1.182 1058 L CA -0.465 54.379 54.840 0.007 0.000 0.858 1058 L CB 0.179 42.246 42.059 0.012 0.000 1.120 1058 L HN 0.349 nan 8.230 nan 0.000 0.474 1059 N N 5.629 124.333 118.700 0.007 0.000 2.359 1059 N HA -0.027 4.713 4.740 -0.000 0.000 0.261 1059 N C -1.604 173.911 175.510 0.008 0.000 1.267 1059 N CA -0.918 52.136 53.050 0.007 0.000 0.864 1059 N CB 1.263 39.755 38.487 0.007 0.000 1.063 1059 N HN 0.357 nan 8.380 nan 0.000 0.474 1060 P HA -0.078 nan 4.420 nan 0.000 0.221 1060 P C 0.526 177.831 177.300 0.009 0.000 1.150 1060 P CA 1.045 64.149 63.100 0.007 0.000 0.800 1060 P CB 0.482 32.186 31.700 0.006 0.000 0.787 1061 E N 0.040 120.245 120.200 0.009 0.000 2.107 1061 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 1061 E C 2.065 178.673 176.600 0.013 0.000 0.982 1061 E CA 0.567 56.973 56.400 0.011 0.000 0.809 1061 E CB -1.166 28.540 29.700 0.010 0.000 0.756 1061 E HN 0.201 nan 8.360 nan 0.000 0.459 1062 L N 0.957 122.187 121.223 0.011 0.000 2.046 1062 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 1062 L C 2.255 179.131 176.870 0.009 0.000 1.077 1062 L CA 1.319 56.165 54.840 0.010 0.000 0.747 1062 L CB -0.641 41.423 42.059 0.008 0.000 0.896 1062 L HN -0.107 nan 8.230 nan 0.000 0.432 1063 V N -0.142 119.778 119.914 0.010 0.000 2.332 1063 V HA -0.364 3.756 4.120 -0.000 0.000 0.248 1063 V C 2.665 178.766 176.094 0.013 0.000 1.055 1063 V CA 2.177 64.482 62.300 0.008 0.000 1.038 1063 V CB -0.680 31.149 31.823 0.010 0.000 0.651 1063 V HN 0.690 nan 8.190 nan 0.000 0.450 1064 Q N -0.381 119.430 119.800 0.019 0.000 2.119 1064 Q HA -0.157 4.183 4.340 -0.000 0.000 0.201 1064 Q C 2.178 178.207 176.000 0.049 0.000 0.972 1064 Q CA 1.699 57.519 55.803 0.028 0.000 0.847 1064 Q CB -0.247 28.504 28.738 0.021 0.000 0.903 1064 Q HN 0.646 nan 8.270 nan 0.000 0.433 1065 A N -0.223 122.625 122.820 0.047 0.000 2.014 1065 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 1065 A C 1.948 179.610 177.584 0.129 0.000 1.163 1065 A CA 1.213 53.298 52.037 0.080 0.000 0.652 1065 A CB -0.249 18.782 19.000 0.052 0.000 0.808 1065 A HN 0.348 nan 8.150 nan 0.000 0.449 1066 V N -0.837 119.095 119.914 0.030 0.000 3.471 1066 V HA -0.095 4.025 4.120 -0.000 0.000 0.258 1066 V C 2.172 178.182 176.094 -0.141 0.000 1.192 1066 V CA 1.353 63.591 62.300 -0.102 0.000 1.116 1066 V CB -0.068 31.684 31.823 -0.117 0.000 0.792 1066 V HN 0.632 nan 8.190 nan 0.000 0.459 1067 Q N 1.505 121.303 119.800 -0.002 0.000 2.129 1067 Q HA -0.330 4.010 4.340 -0.000 0.000 0.218 1067 Q C 2.016 178.012 176.000 -0.006 0.000 1.040 1067 Q CA 2.897 58.709 55.803 0.016 0.000 0.913 1067 Q CB -0.754 28.023 28.738 0.064 0.000 1.030 1067 Q HN 0.983 nan 8.270 nan 0.000 0.419 1068 H N -1.261 117.798 119.070 -0.019 0.000 2.561 1068 H HA 0.002 4.558 4.556 -0.000 0.000 0.278 1068 H C 1.756 177.068 175.328 -0.027 0.000 1.014 1068 H CA 1.243 57.279 56.048 -0.019 0.000 1.211 1068 H CB -0.225 29.527 29.762 -0.017 0.000 1.365 1068 H HN 0.164 nan 8.280 nan 0.000 0.594 1069 V N 0.835 120.448 119.914 -0.503 0.000 3.125 1069 V HA 0.007 4.127 4.120 -0.000 0.000 0.249 1069 V C 1.222 177.211 176.094 -0.175 0.000 1.113 1069 V CA 0.213 62.298 62.300 -0.360 0.000 1.106 1069 V CB 0.334 31.895 31.823 -0.436 0.000 0.768 1069 V HN 0.089 nan 8.190 nan 0.000 0.468 1070 V N 2.550 122.384 119.914 -0.133 0.000 2.470 1070 V HA 0.202 4.322 4.120 -0.000 0.000 0.276 1070 V C 0.024 176.097 176.094 -0.036 0.000 1.040 1070 V CA 0.087 62.348 62.300 -0.066 0.000 1.008 1070 V CB 0.758 32.557 31.823 -0.041 0.000 0.990 1070 V HN 0.246 nan 8.190 nan 0.000 0.477 1071 I N 4.394 124.951 120.570 -0.022 0.000 2.342 1071 I HA 0.427 4.597 4.170 -0.000 0.000 0.291 1071 I C 1.116 177.230 176.117 -0.004 0.000 1.010 1071 I CA 0.188 61.480 61.300 -0.012 0.000 1.308 1071 I CB 1.196 39.190 38.000 -0.010 0.000 1.400 1071 I HN 0.711 nan 8.210 nan 0.000 0.488 1072 G N 6.523 115.319 108.800 -0.006 0.000 2.476 1072 G HA2 0.288 4.248 3.960 -0.000 0.000 0.269 1072 G HA3 0.288 4.248 3.960 -0.000 0.000 0.269 1072 G C -1.672 173.225 174.900 -0.005 0.000 1.195 1072 G CA -1.091 44.007 45.100 -0.003 0.000 0.843 1072 G HN 0.410 nan 8.290 nan 0.000 0.545 1073 P HA -0.196 nan 4.420 nan 0.000 0.217 1073 P C 2.073 179.365 177.300 -0.013 0.000 1.148 1073 P CA 1.890 64.988 63.100 -0.004 0.000 0.828 1073 P CB 0.106 31.807 31.700 0.001 0.000 0.783 1074 S N -1.521 114.172 115.700 -0.012 0.000 2.474 1074 S HA -0.022 4.448 4.470 -0.000 0.000 0.235 1074 S C 1.793 176.380 174.600 -0.021 0.000 0.997 1074 S CA 1.103 59.293 58.200 -0.016 0.000 0.949 1074 S CB -1.066 62.127 63.200 -0.012 0.000 0.766 1074 S HN 0.042 nan 8.310 nan 0.000 0.517 1075 S N 0.409 116.097 115.700 -0.021 0.000 2.540 1075 S HA 0.436 4.906 4.470 -0.000 0.000 0.218 1075 S C -0.256 174.322 174.600 -0.035 0.000 0.977 1075 S CA -0.441 57.744 58.200 -0.026 0.000 0.918 1075 S CB 0.061 63.248 63.200 -0.020 0.000 0.806 1075 S HN 0.511 nan 8.310 nan 0.000 0.496 1076 L N 1.692 122.891 121.223 -0.041 0.000 2.376 1076 L HA 0.602 4.942 4.340 -0.000 0.000 0.275 1076 L C -1.489 175.324 176.870 -0.094 0.000 0.987 1076 L CA -0.459 54.346 54.840 -0.059 0.000 0.828 1076 L CB 1.204 43.237 42.059 -0.044 0.000 1.249 1076 L HN 0.008 nan 8.230 nan 0.000 0.409 1077 I N 5.950 126.437 120.570 -0.138 0.000 2.354 1077 I HA 0.455 4.625 4.170 -0.000 0.000 0.286 1077 I C -0.793 175.090 176.117 -0.390 0.000 1.007 1077 I CA -0.682 60.477 61.300 -0.235 0.000 1.167 1077 I CB 1.682 39.554 38.000 -0.213 0.000 1.320 1077 I HN 0.245 nan 8.210 nan 0.000 0.458 1078 V N 5.399 125.012 119.914 -0.500 0.000 2.459 1078 V HA 0.269 4.389 4.120 -0.000 0.000 0.295 1078 V C -0.456 175.149 176.094 -0.815 0.000 1.029 1078 V CA -0.780 61.100 62.300 -0.700 0.000 0.874 1078 V CB 1.350 32.558 31.823 -1.025 0.000 0.985 1078 V HN 0.595 nan 8.190 nan 0.000 0.438 1079 H N 4.706 123.577 119.070 -0.332 0.000 2.914 1079 H HA 0.313 4.869 4.556 -0.000 0.000 0.264 1079 H C 0.095 175.357 175.328 -0.110 0.000 1.433 1079 H CA -0.271 55.690 56.048 -0.147 0.000 1.342 1079 H CB 0.134 29.885 29.762 -0.019 0.000 1.582 1079 H HN 0.584 nan 8.280 nan 0.000 0.525 1080 F N 1.172 121.109 119.950 -0.021 0.000 2.748 1080 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 1080 F C 2.079 177.929 175.800 0.083 0.000 1.154 1080 F CA 0.312 58.195 58.000 -0.194 0.000 1.446 1080 F CB 0.019 38.836 39.000 -0.305 0.000 1.112 1080 F HN 0.620 nan 8.300 nan 0.000 0.584 1081 N N 0.536 119.411 118.700 0.291 0.000 2.446 1081 N HA -0.132 4.608 4.740 -0.000 0.000 0.179 1081 N C 0.295 175.946 175.510 0.235 0.000 1.054 1081 N CA 0.506 53.694 53.050 0.230 0.000 0.905 1081 N CB -0.080 38.501 38.487 0.157 0.000 0.973 1081 N HN 0.417 nan 8.380 nan 0.000 0.448 1082 E N 0.698 121.071 120.200 0.289 0.000 2.199 1082 E HA 0.315 4.664 4.350 -0.000 0.000 0.265 1082 E C -1.414 175.321 176.600 0.224 0.000 0.882 1082 E CA -0.640 55.892 56.400 0.220 0.000 0.759 1082 E CB 2.272 32.079 29.700 0.179 0.000 1.148 1082 E HN -0.169 nan 8.360 nan 0.000 0.412 1083 V N 6.732 126.687 119.914 0.069 0.000 2.498 1083 V HA 0.132 4.252 4.120 -0.000 0.000 0.279 1083 V C 1.195 177.228 176.094 -0.102 0.000 1.048 1083 V CA 0.056 62.263 62.300 -0.154 0.000 0.967 1083 V CB 1.150 32.867 31.823 -0.176 0.000 0.988 1083 V HN 0.721 nan 8.190 nan 0.000 0.473 1084 I N 2.018 122.488 120.570 -0.168 0.000 3.939 1084 I HA 0.621 4.791 4.170 -0.000 0.000 0.313 1084 I C 0.774 176.835 176.117 -0.092 0.000 1.274 1084 I CA 0.321 61.546 61.300 -0.125 0.000 1.301 1084 I CB 0.566 38.421 38.000 -0.242 0.000 1.105 1084 I HN 0.605 nan 8.210 nan 0.000 0.427 1085 G N 1.257 109.990 108.800 -0.112 0.000 2.698 1085 G HA2 0.754 4.714 3.960 -0.000 0.000 0.293 1085 G HA3 0.754 4.714 3.960 -0.000 0.000 0.293 1085 G C -1.571 173.308 174.900 -0.035 0.000 1.437 1085 G CA -0.948 44.131 45.100 -0.035 0.000 0.852 1085 G HN 0.140 nan 8.290 nan 0.000 0.499 1086 R N -0.306 120.217 120.500 0.038 0.000 2.621 1086 R HA 0.728 5.068 4.340 -0.000 0.000 0.284 1086 R C 0.171 176.489 176.300 0.030 0.000 0.998 1086 R CA -0.525 55.578 56.100 0.006 0.000 0.895 1086 R CB 2.469 32.759 30.300 -0.017 0.000 1.195 1086 R HN 0.850 nan 8.270 nan 0.000 0.450 1087 G N -0.453 108.297 108.800 -0.083 0.000 3.211 1087 G HA2 0.137 4.097 3.960 -0.000 0.000 0.262 1087 G HA3 0.137 4.097 3.960 -0.000 0.000 0.262 1087 G C -0.286 174.479 174.900 -0.225 0.000 1.352 1087 G CA -0.305 44.622 45.100 -0.288 0.000 1.004 1087 G HN 0.657 nan 8.290 nan 0.000 0.559 1088 H N -0.727 118.065 119.070 -0.463 0.000 2.268 1088 H HA 0.064 4.620 4.556 -0.000 0.000 0.304 1088 H C 2.018 177.193 175.328 -0.255 0.000 1.064 1088 H CA 1.758 57.547 56.048 -0.431 0.000 1.316 1088 H CB -0.167 29.161 29.762 -0.724 0.000 1.386 1088 H HN 0.263 nan 8.280 nan 0.000 0.496 1089 F N -0.073 119.802 119.950 -0.126 0.000 2.771 1089 F HA 0.288 4.815 4.527 -0.000 0.000 0.299 1089 F C 1.260 176.992 175.800 -0.114 0.000 1.177 1089 F CA 0.889 58.809 58.000 -0.134 0.000 1.450 1089 F CB -0.326 38.630 39.000 -0.073 0.000 1.114 1089 F HN 0.311 nan 8.300 nan 0.000 0.587 1090 G N -1.796 107.018 108.800 0.024 0.000 2.377 1090 G HA2 0.340 4.300 3.960 -0.000 0.000 0.297 1090 G HA3 0.340 4.300 3.960 -0.000 0.000 0.297 1090 G C -1.614 173.296 174.900 0.016 0.000 1.547 1090 G CA -1.149 43.975 45.100 0.040 0.000 0.833 1090 G HN -0.032 nan 8.290 nan 0.000 0.583 1091 C N -0.348 118.972 119.300 0.033 0.000 2.520 1091 C HA 0.758 5.218 4.460 -0.000 0.000 0.376 1091 C C 0.699 175.604 174.990 -0.140 0.000 1.268 1091 C CA -0.399 58.564 59.018 -0.092 0.000 2.414 1091 C CB 0.824 28.471 27.740 -0.156 0.000 2.521 1091 C HN 0.595 nan 8.230 nan 0.000 0.618 1092 V N 1.635 121.339 119.914 -0.350 0.000 2.604 1092 V HA 0.536 4.656 4.120 -0.000 0.000 0.305 1092 V C -1.118 174.712 176.094 -0.440 0.000 1.043 1092 V CA -0.472 61.706 62.300 -0.203 0.000 0.888 1092 V CB 1.244 33.047 31.823 -0.034 0.000 0.995 1092 V HN 0.821 nan 8.190 nan 0.000 0.429 1093 Y N 1.025 121.337 120.300 0.020 0.000 2.576 1093 Y HA 0.565 5.115 4.550 -0.000 0.000 0.346 1093 Y C 0.263 176.140 175.900 -0.038 0.000 1.018 1093 Y CA -1.075 57.014 58.100 -0.018 0.000 1.050 1093 Y CB 1.145 39.579 38.460 -0.044 0.000 1.280 1093 Y HN 0.618 nan 8.280 nan 0.000 0.474 1094 H N -0.127 119.043 119.070 0.167 0.000 2.852 1094 H HA 0.490 5.046 4.556 -0.000 0.000 0.362 1094 H C 0.303 175.674 175.328 0.072 0.000 1.122 1094 H CA 1.162 57.255 56.048 0.075 0.000 1.419 1094 H CB 0.620 30.386 29.762 0.006 0.000 1.401 1094 H HN 0.880 nan 8.280 nan 0.000 0.609 1095 G N 0.043 108.959 108.800 0.195 0.000 2.646 1095 G HA2 0.446 4.406 3.960 -0.000 0.000 0.291 1095 G HA3 0.446 4.406 3.960 -0.000 0.000 0.291 1095 G C -1.235 173.714 174.900 0.080 0.000 1.445 1095 G CA -0.585 44.549 45.100 0.058 0.000 0.814 1095 G HN 0.680 nan 8.290 nan 0.000 0.495 1096 T N -1.570 112.990 114.554 0.010 0.000 2.848 1096 T HA 0.641 4.991 4.350 -0.000 0.000 0.285 1096 T C -1.101 173.572 174.700 -0.045 0.000 0.995 1096 T CA -0.693 61.405 62.100 -0.003 0.000 0.970 1096 T CB 1.771 70.643 68.868 0.007 0.000 0.976 1096 T HN 0.978 nan 8.240 nan 0.000 0.441 1097 L N 4.438 125.630 121.223 -0.052 0.000 2.305 1097 L HA 0.579 4.919 4.340 -0.000 0.000 0.284 1097 L C -0.807 176.030 176.870 -0.056 0.000 1.013 1097 L CA -0.995 53.817 54.840 -0.046 0.000 0.819 1097 L CB 0.960 43.001 42.059 -0.030 0.000 1.227 1097 L HN 0.744 nan 8.230 nan 0.000 0.417 1098 L N 5.345 126.540 121.223 -0.047 0.000 2.315 1098 L HA 0.335 4.675 4.340 -0.000 0.000 0.283 1098 L C -0.131 176.719 176.870 -0.034 0.000 1.089 1098 L CA -0.639 54.175 54.840 -0.043 0.000 0.833 1098 L CB 0.307 42.344 42.059 -0.036 0.000 1.170 1098 L HN 0.664 nan 8.230 nan 0.000 0.442 1099 D N 1.796 122.175 120.400 -0.035 0.000 2.478 1099 D HA 0.049 4.689 4.640 -0.000 0.000 0.263 1099 D C 0.853 177.141 176.300 -0.021 0.000 1.153 1099 D CA -0.737 53.247 54.000 -0.026 0.000 1.038 1099 D CB 0.480 41.264 40.800 -0.027 0.000 1.120 1099 D HN 0.274 nan 8.370 nan 0.000 0.564 1100 N N 0.169 118.860 118.700 -0.015 0.000 2.217 1100 N HA -0.326 4.414 4.740 -0.000 0.000 0.195 1100 N C 1.017 176.519 175.510 -0.014 0.000 0.950 1100 N CA 2.415 55.457 53.050 -0.012 0.000 0.910 1100 N CB -0.576 37.905 38.487 -0.009 0.000 1.073 1100 N HN 0.650 nan 8.380 nan 0.000 0.663 1101 D N -1.511 118.879 120.400 -0.017 0.000 2.312 1101 D HA 0.083 4.723 4.640 -0.000 0.000 0.211 1101 D C 0.963 177.251 176.300 -0.020 0.000 0.964 1101 D CA 1.343 55.333 54.000 -0.017 0.000 0.877 1101 D CB -0.450 40.338 40.800 -0.019 0.000 0.924 1101 D HN 0.551 nan 8.370 nan 0.000 0.515 1102 G N 0.400 109.186 108.800 -0.024 0.000 2.132 1102 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.234 1102 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.234 1102 G C 0.123 175.002 174.900 -0.036 0.000 0.989 1102 G CA 0.119 45.203 45.100 -0.027 0.000 0.676 1102 G HN 0.363 nan 8.290 nan 0.000 0.522 1103 K N -0.080 120.294 120.400 -0.043 0.000 2.118 1103 K HA 0.492 4.812 4.320 -0.000 0.000 0.267 1103 K C 0.137 176.685 176.600 -0.086 0.000 0.991 1103 K CA -0.682 55.570 56.287 -0.059 0.000 0.916 1103 K CB 0.746 33.213 32.500 -0.055 0.000 1.041 1103 K HN 0.014 nan 8.250 nan 0.000 0.455 1104 K N 2.667 122.992 120.400 -0.126 0.000 2.292 1104 K HA 0.173 4.493 4.320 -0.000 0.000 0.290 1104 K C -0.408 176.013 176.600 -0.299 0.000 1.083 1104 K CA -0.088 56.080 56.287 -0.198 0.000 0.918 1104 K CB 0.250 32.613 32.500 -0.229 0.000 1.089 1104 K HN 0.307 nan 8.250 nan 0.000 0.473 1105 I N 4.584 125.032 120.570 -0.204 0.000 2.352 1105 I HA 0.064 4.234 4.170 -0.000 0.000 0.290 1105 I C 0.542 176.557 176.117 -0.171 0.000 1.036 1105 I CA -0.487 60.712 61.300 -0.169 0.000 1.336 1105 I CB 0.323 38.284 38.000 -0.065 0.000 1.407 1105 I HN 0.470 nan 8.210 nan 0.000 0.497 1106 H N 5.198 124.277 119.070 0.016 0.000 2.722 1106 H HA 0.259 4.815 4.556 -0.000 0.000 0.328 1106 H C -0.355 175.028 175.328 0.091 0.000 1.067 1106 H CA -0.031 56.026 56.048 0.016 0.000 1.447 1106 H CB 1.146 30.897 29.762 -0.018 0.000 1.469 1106 H HN 0.560 nan 8.280 nan 0.000 0.544 1107 C N 1.952 121.382 119.300 0.217 0.000 2.779 1107 C HA 0.715 5.175 4.460 -0.000 0.000 0.314 1107 C C 0.301 175.435 174.990 0.239 0.000 1.231 1107 C CA -0.830 58.303 59.018 0.191 0.000 1.652 1107 C CB 1.511 29.310 27.740 0.098 0.000 2.198 1107 C HN 0.913 nan 8.230 nan 0.000 0.483 1108 A N 1.538 124.485 122.820 0.212 0.000 2.271 1108 A HA 0.742 5.062 4.320 -0.000 0.000 0.317 1108 A C -0.881 176.776 177.584 0.120 0.000 1.245 1108 A CA -0.220 51.920 52.037 0.172 0.000 0.857 1108 A CB 0.481 19.558 19.000 0.128 0.000 1.175 1108 A HN 0.744 nan 8.150 nan 0.000 0.512 1109 V N 3.101 123.094 119.914 0.131 0.000 2.448 1109 V HA 0.421 4.541 4.120 -0.000 0.000 0.295 1109 V C 0.084 176.315 176.094 0.228 0.000 1.025 1109 V CA -0.613 61.769 62.300 0.137 0.000 0.859 1109 V CB 1.550 33.412 31.823 0.066 0.000 0.988 1109 V HN 0.911 nan 8.190 nan 0.000 0.431 1110 K N 2.686 123.208 120.400 0.204 0.000 2.235 1110 K HA 0.547 4.867 4.320 -0.000 0.000 0.266 1110 K C -0.324 176.417 176.600 0.235 0.000 0.980 1110 K CA -0.229 56.195 56.287 0.227 0.000 0.849 1110 K CB 1.516 34.126 32.500 0.183 0.000 1.098 1110 K HN 0.666 nan 8.250 nan 0.000 0.445 1111 S N 5.573 121.447 115.700 0.290 0.000 2.410 1111 S HA 0.312 4.782 4.470 -0.000 0.000 0.304 1111 S C -0.234 174.432 174.600 0.110 0.000 1.095 1111 S CA -0.816 57.514 58.200 0.216 0.000 1.089 1111 S CB 0.132 63.516 63.200 0.305 0.000 0.968 1111 S HN 0.582 nan 8.310 nan 0.000 0.480 1112 L N 5.928 127.162 121.223 0.019 0.000 2.363 1112 L HA 0.238 4.578 4.340 -0.000 0.000 0.286 1112 L C 1.093 177.921 176.870 -0.070 0.000 1.106 1112 L CA -0.631 54.184 54.840 -0.043 0.000 0.859 1112 L CB 0.031 41.979 42.059 -0.185 0.000 1.223 1112 L HN 0.744 nan 8.230 nan 0.000 0.446 1113 N N 2.351 121.036 118.700 -0.025 0.000 2.424 1113 N HA -0.088 4.652 4.740 -0.000 0.000 0.178 1113 N C 1.209 176.683 175.510 -0.061 0.000 1.060 1113 N CA 0.585 53.611 53.050 -0.040 0.000 0.901 1113 N CB 0.139 38.612 38.487 -0.023 0.000 0.979 1113 N HN 0.395 nan 8.380 nan 0.000 0.451 1114 R N -0.009 120.453 120.500 -0.065 0.000 2.507 1114 R HA 0.361 4.701 4.340 -0.000 0.000 0.298 1114 R C -0.264 175.969 176.300 -0.111 0.000 0.999 1114 R CA -0.342 55.718 56.100 -0.066 0.000 1.082 1114 R CB 0.215 30.514 30.300 -0.002 0.000 1.246 1114 R HN 0.221 nan 8.270 nan 0.000 0.553 1115 I N 1.389 121.872 120.570 -0.145 0.000 2.517 1115 I HA -0.057 4.113 4.170 -0.000 0.000 0.285 1115 I C 1.569 177.621 176.117 -0.109 0.000 1.106 1115 I CA 0.512 61.718 61.300 -0.158 0.000 1.402 1115 I CB 1.514 39.388 38.000 -0.211 0.000 1.399 1115 I HN 0.145 nan 8.210 nan 0.000 0.535 1116 T N 0.099 114.599 114.554 -0.089 0.000 2.969 1116 T HA 0.204 4.554 4.350 -0.000 0.000 0.250 1116 T C -0.012 174.655 174.700 -0.055 0.000 1.021 1116 T CA -0.157 61.906 62.100 -0.063 0.000 1.003 1116 T CB -0.080 68.760 68.868 -0.047 0.000 1.040 1116 T HN 0.679 nan 8.240 nan 0.000 0.492 1117 D N -0.362 120.003 120.400 -0.059 0.000 2.570 1117 D HA 0.434 5.074 4.640 -0.000 0.000 0.244 1117 D C 0.711 176.983 176.300 -0.046 0.000 1.178 1117 D CA -1.050 52.922 54.000 -0.046 0.000 0.881 1117 D CB 0.700 41.480 40.800 -0.034 0.000 1.453 1117 D HN -0.161 nan 8.370 nan 0.000 0.447 1118 I N 0.577 121.127 120.570 -0.033 0.000 2.676 1118 I HA 0.062 4.231 4.170 -0.000 0.000 0.259 1118 I C 2.238 178.347 176.117 -0.015 0.000 1.194 1118 I CA 1.148 62.433 61.300 -0.025 0.000 1.473 1118 I CB -1.673 36.317 38.000 -0.016 0.000 1.096 1118 I HN 0.763 nan 8.210 nan 0.000 0.443 1119 G N 0.834 109.625 108.800 -0.015 0.000 2.408 1119 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 1119 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 1119 G C 1.557 176.453 174.900 -0.007 0.000 1.150 1119 G CA 0.247 45.342 45.100 -0.008 0.000 0.776 1119 G HN 0.410 nan 8.290 nan 0.000 0.542 1120 E N -0.061 120.123 120.200 -0.027 0.000 2.118 1120 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 1120 E C 2.684 179.281 176.600 -0.005 0.000 0.992 1120 E CA 0.957 57.334 56.400 -0.039 0.000 0.804 1120 E CB -0.077 29.570 29.700 -0.089 0.000 0.741 1120 E HN 0.327 nan 8.360 nan 0.000 0.458 1121 V N 0.710 120.618 119.914 -0.009 0.000 2.358 1121 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 1121 V C 2.231 178.415 176.094 0.150 0.000 1.047 1121 V CA 1.756 64.084 62.300 0.047 0.000 1.035 1121 V CB -0.316 31.506 31.823 -0.001 0.000 0.658 1121 V HN 0.195 nan 8.190 nan 0.000 0.452 1122 S N -0.685 115.059 115.700 0.073 0.000 2.356 1122 S HA -0.297 4.173 4.470 -0.000 0.000 0.223 1122 S C 2.001 176.632 174.600 0.052 0.000 1.032 1122 S CA 1.803 60.036 58.200 0.056 0.000 1.005 1122 S CB -0.360 62.856 63.200 0.027 0.000 0.867 1122 S HN 0.663 nan 8.310 nan 0.000 0.449 1123 Q N -0.062 119.768 119.800 0.050 0.000 2.135 1123 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 1123 Q C 1.907 177.941 176.000 0.056 0.000 0.981 1123 Q CA 1.599 57.424 55.803 0.038 0.000 0.856 1123 Q CB -0.244 28.510 28.738 0.027 0.000 0.902 1123 Q HN 0.610 nan 8.270 nan 0.000 0.425 1124 F N 0.359 120.272 119.950 -0.063 0.000 2.171 1124 F HA -0.168 4.359 4.527 -0.000 0.000 0.300 1124 F C 1.504 177.264 175.800 -0.067 0.000 1.090 1124 F CA 1.230 59.188 58.000 -0.071 0.000 1.293 1124 F CB -0.060 38.894 39.000 -0.077 0.000 1.013 1124 F HN 0.039 nan 8.300 nan 0.000 0.486 1125 L N -0.473 120.672 121.223 -0.130 0.000 2.072 1125 L HA -0.163 4.176 4.340 -0.000 0.000 0.205 1125 L C 2.390 179.141 176.870 -0.198 0.000 1.079 1125 L CA 1.596 56.294 54.840 -0.237 0.000 0.752 1125 L CB -1.296 40.728 42.059 -0.059 0.000 0.906 1125 L HN 0.102 nan 8.230 nan 0.000 0.436 1126 T N -0.720 113.772 114.554 -0.103 0.000 2.699 1126 T HA -0.270 4.080 4.350 -0.000 0.000 0.268 1126 T C 1.779 176.414 174.700 -0.108 0.000 1.036 1126 T CA 1.869 63.924 62.100 -0.075 0.000 1.147 1126 T CB -0.143 68.705 68.868 -0.032 0.000 0.862 1126 T HN 0.240 nan 8.240 nan 0.000 0.446 1127 E N 0.526 120.641 120.200 -0.142 0.000 2.072 1127 E HA 0.029 4.379 4.350 -0.000 0.000 0.190 1127 E C 2.402 178.849 176.600 -0.256 0.000 0.982 1127 E CA 1.124 57.420 56.400 -0.172 0.000 0.803 1127 E CB -0.841 28.774 29.700 -0.141 0.000 0.755 1127 E HN 0.436 nan 8.360 nan 0.000 0.453 1128 G N 1.004 109.596 108.800 -0.347 0.000 2.505 1128 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.220 1128 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.220 1128 G C 1.612 176.355 174.900 -0.263 0.000 1.145 1128 G CA 1.322 46.197 45.100 -0.375 0.000 0.761 1128 G HN 0.331 nan 8.290 nan 0.000 0.571 1129 I N 0.438 120.889 120.570 -0.198 0.000 2.226 1129 I HA -0.118 4.052 4.170 -0.000 0.000 0.245 1129 I C 2.652 178.740 176.117 -0.048 0.000 1.100 1129 I CA 0.729 61.979 61.300 -0.084 0.000 1.374 1129 I CB -0.185 37.806 38.000 -0.015 0.000 1.057 1129 I HN 0.181 nan 8.210 nan 0.000 0.413 1130 I N -0.079 120.423 120.570 -0.114 0.000 2.163 1130 I HA -0.268 3.902 4.170 -0.000 0.000 0.240 1130 I C 2.426 178.370 176.117 -0.287 0.000 1.081 1130 I CA 1.208 62.421 61.300 -0.146 0.000 1.353 1130 I CB -0.313 37.571 38.000 -0.195 0.000 1.054 1130 I HN 0.192 nan 8.210 nan 0.000 0.407 1131 M N 0.303 119.662 119.600 -0.402 0.000 2.374 1131 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 1131 M C 2.141 178.321 176.300 -0.200 0.000 1.067 1131 M CA 1.309 56.305 55.300 -0.508 0.000 1.103 1131 M CB -0.988 31.340 32.600 -0.453 0.000 1.402 1131 M HN 0.077 nan 8.290 nan 0.000 0.444 1132 K N 1.030 121.364 120.400 -0.111 0.000 2.217 1132 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 1132 K C 1.140 177.797 176.600 0.095 0.000 1.051 1132 K CA 1.219 57.500 56.287 -0.010 0.000 0.952 1132 K CB -0.007 32.482 32.500 -0.018 0.000 0.736 1132 K HN 0.148 nan 8.250 nan 0.000 0.453 1133 D N -0.441 120.043 120.400 0.139 0.000 2.234 1133 D HA -0.056 4.584 4.640 -0.000 0.000 0.205 1133 D C -0.063 176.452 176.300 0.357 0.000 0.962 1133 D CA 0.446 54.577 54.000 0.219 0.000 0.855 1133 D CB -0.098 40.829 40.800 0.212 0.000 0.951 1133 D HN 0.039 nan 8.370 nan 0.000 0.500 1134 F N 0.979 120.989 119.950 0.100 0.000 2.572 1134 F HA 0.224 4.751 4.527 -0.000 0.000 0.370 1134 F C 0.936 176.827 175.800 0.152 0.000 1.103 1134 F CA -0.319 57.805 58.000 0.207 0.000 1.286 1134 F CB 0.505 39.627 39.000 0.204 0.000 1.105 1134 F HN -0.372 nan 8.300 nan 0.000 0.583 1135 S N 2.638 118.466 115.700 0.213 0.000 2.392 1135 S HA 0.237 4.707 4.470 -0.000 0.000 0.246 1135 S C -1.612 172.771 174.600 -0.361 0.000 0.999 1135 S CA -0.474 57.713 58.200 -0.022 0.000 1.059 1135 S CB 0.048 63.264 63.200 0.025 0.000 1.194 1135 S HN 0.775 nan 8.310 nan 0.000 0.421 1136 H N 3.809 122.592 119.070 -0.477 0.000 2.974 1136 H HA 0.349 4.905 4.556 -0.000 0.000 0.366 1136 H C -2.525 172.662 175.328 -0.235 0.000 1.155 1136 H CA -1.522 54.199 56.048 -0.545 0.000 1.186 1136 H CB 2.436 31.636 29.762 -0.937 0.000 1.799 1136 H HN 0.248 nan 8.280 nan 0.000 0.541 1137 P HA -0.099 nan 4.420 nan 0.000 0.218 1137 P C 0.029 177.290 177.300 -0.065 0.000 1.146 1137 P CA 1.483 64.424 63.100 -0.266 0.000 0.820 1137 P CB 0.250 31.742 31.700 -0.347 0.000 0.778 1138 N N -1.639 117.141 118.700 0.134 0.000 2.273 1138 N HA 0.169 4.909 4.740 -0.000 0.000 0.231 1138 N C -0.901 174.715 175.510 0.178 0.000 1.134 1138 N CA -0.181 52.978 53.050 0.182 0.000 0.856 1138 N CB 0.649 39.267 38.487 0.218 0.000 1.068 1138 N HN -0.087 nan 8.380 nan 0.000 0.510 1139 V N 1.299 121.319 119.914 0.177 0.000 2.656 1139 V HA 0.303 4.423 4.120 -0.000 0.000 0.307 1139 V C -0.502 175.708 176.094 0.194 0.000 1.051 1139 V CA -1.031 61.402 62.300 0.222 0.000 0.893 1139 V CB 2.321 34.301 31.823 0.263 0.000 0.999 1139 V HN 0.051 nan 8.190 nan 0.000 0.426 1140 L N 4.773 126.133 121.223 0.227 0.000 2.410 1140 L HA 0.436 4.776 4.340 -0.000 0.000 0.273 1140 L C 0.766 177.684 176.870 0.079 0.000 1.144 1140 L CA 0.834 55.739 54.840 0.108 0.000 0.863 1140 L CB 1.187 43.281 42.059 0.058 0.000 1.140 1140 L HN 0.922 nan 8.230 nan 0.000 0.463 1141 S N 5.007 120.731 115.700 0.039 0.000 2.632 1141 S HA 0.535 5.004 4.470 -0.000 0.000 0.271 1141 S C -0.415 174.166 174.600 -0.032 0.000 1.260 1141 S CA -0.900 57.314 58.200 0.023 0.000 1.010 1141 S CB 1.301 64.515 63.200 0.024 0.000 0.965 1141 S HN 0.647 nan 8.310 nan 0.000 0.534 1142 L N 2.721 123.913 121.223 -0.052 0.000 2.264 1142 L HA 0.454 4.794 4.340 -0.000 0.000 0.289 1142 L C 0.393 177.235 176.870 -0.046 0.000 1.044 1142 L CA -0.319 54.475 54.840 -0.077 0.000 0.807 1142 L CB 0.395 42.374 42.059 -0.133 0.000 1.192 1142 L HN 0.916 nan 8.230 nan 0.000 0.425 1143 L N 4.799 126.003 121.223 -0.032 0.000 2.240 1143 L HA 0.387 4.727 4.340 -0.000 0.000 0.211 1143 L C 1.141 177.989 176.870 -0.036 0.000 1.106 1143 L CA 0.750 55.577 54.840 -0.021 0.000 0.793 1143 L CB -0.510 41.545 42.059 -0.006 0.000 0.927 1143 L HN 0.912 nan 8.230 nan 0.000 0.446 1144 G N 0.006 108.776 108.800 -0.050 0.000 2.352 1144 G HA2 0.199 4.159 3.960 -0.000 0.000 0.283 1144 G HA3 0.199 4.159 3.960 -0.000 0.000 0.283 1144 G C -1.739 173.132 174.900 -0.049 0.000 1.308 1144 G CA -0.340 44.716 45.100 -0.073 0.000 0.892 1144 G HN 0.027 nan 8.290 nan 0.000 0.504 1145 I N -2.608 117.936 120.570 -0.044 0.000 2.647 1145 I HA 0.752 4.922 4.170 -0.000 0.000 0.295 1145 I C -0.646 175.501 176.117 0.050 0.000 1.078 1145 I CA -1.071 60.249 61.300 0.033 0.000 1.048 1145 I CB 1.878 39.885 38.000 0.012 0.000 1.239 1145 I HN 0.768 nan 8.210 nan 0.000 0.421 1146 C N 6.432 125.784 119.300 0.086 0.000 2.303 1146 C HA 0.571 5.031 4.460 -0.000 0.000 0.326 1146 C C 0.972 176.010 174.990 0.080 0.000 1.285 1146 C CA -0.290 58.766 59.018 0.063 0.000 1.675 1146 C CB 0.772 28.542 27.740 0.050 0.000 2.289 1146 C HN 0.881 nan 8.230 nan 0.000 0.512 1147 L N 3.845 125.105 121.223 0.060 0.000 2.425 1147 L HA 0.384 4.724 4.340 -0.000 0.000 0.215 1147 L C 1.449 178.331 176.870 0.019 0.000 1.065 1147 L CA 1.050 55.920 54.840 0.051 0.000 0.842 1147 L CB -0.950 41.143 42.059 0.056 0.000 1.033 1147 L HN 0.702 nan 8.230 nan 0.000 0.474 1153 P HA 0.556 nan 4.420 nan 0.000 0.275 1153 P C -1.057 176.228 177.300 -0.026 0.000 1.228 1153 P CA -0.478 62.553 63.100 -0.115 0.000 0.786 1153 P CB 0.369 31.840 31.700 -0.382 0.000 0.927 1154 L N 1.727 123.000 121.223 0.083 0.000 2.341 1154 L HA 0.465 4.805 4.340 -0.000 0.000 0.278 1154 L C -0.445 176.536 176.870 0.184 0.000 1.005 1154 L CA -1.181 53.739 54.840 0.134 0.000 0.818 1154 L CB 2.113 44.249 42.059 0.128 0.000 1.259 1154 L HN 0.043 nan 8.230 nan 0.000 0.418 1155 V N 3.911 123.935 119.914 0.182 0.000 2.370 1155 V HA 0.288 4.408 4.120 -0.000 0.000 0.279 1155 V C 0.044 176.196 176.094 0.097 0.000 1.029 1155 V CA -0.589 61.804 62.300 0.156 0.000 0.870 1155 V CB 1.777 33.699 31.823 0.166 0.000 0.984 1155 V HN 0.418 nan 8.190 nan 0.000 0.451 1156 V N 7.388 127.336 119.914 0.055 0.000 2.350 1156 V HA 0.487 4.607 4.120 -0.000 0.000 0.276 1156 V C -0.041 176.067 176.094 0.023 0.000 1.028 1156 V CA -0.293 62.032 62.300 0.040 0.000 0.860 1156 V CB 1.067 32.904 31.823 0.024 0.000 0.990 1156 V HN 0.620 nan 8.190 nan 0.000 0.453 1157 L N 6.331 127.577 121.223 0.038 0.000 2.323 1157 L HA 0.626 4.966 4.340 -0.000 0.000 0.265 1157 L C -2.575 174.325 176.870 0.050 0.000 1.012 1157 L CA -2.309 52.544 54.840 0.022 0.000 0.820 1157 L CB 2.620 44.685 42.059 0.011 0.000 1.334 1157 L HN 0.356 nan 8.230 nan 0.000 0.427 1158 P HA 0.006 nan 4.420 nan 0.000 0.271 1158 P C -1.240 176.118 177.300 0.097 0.000 1.216 1158 P CA -0.054 63.087 63.100 0.069 0.000 0.776 1158 P CB 0.239 31.959 31.700 0.033 0.000 0.881 1159 Y N 3.444 123.765 120.300 0.034 0.000 2.359 1159 Y HA 0.241 4.791 4.550 -0.000 0.000 0.330 1159 Y C 0.016 175.908 175.900 -0.014 0.000 1.143 1159 Y CA 0.164 58.280 58.100 0.026 0.000 1.318 1159 Y CB 0.441 38.955 38.460 0.090 0.000 1.234 1159 Y HN 0.220 nan 8.280 nan 0.000 0.522 1160 M N 7.685 126.888 119.600 -0.662 0.000 2.055 1160 M HA 0.152 4.632 4.480 -0.000 0.000 0.346 1160 M C 1.050 176.899 176.300 -0.751 0.000 1.074 1160 M CA -0.321 54.672 55.300 -0.511 0.000 1.009 1160 M CB 1.361 33.763 32.600 -0.331 0.000 1.423 1160 M HN 0.857 nan 8.290 nan 0.000 0.410 1161 K N 2.067 122.141 120.400 -0.543 0.000 2.089 1161 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 1161 K C 0.931 177.231 176.600 -0.500 0.000 1.048 1161 K CA 1.711 57.718 56.287 -0.465 0.000 0.926 1161 K CB 0.232 32.466 32.500 -0.444 0.000 0.714 1161 K HN 0.616 nan 8.250 nan 0.000 0.448 1162 H N -0.868 118.068 119.070 -0.225 0.000 2.586 1162 H HA 0.171 4.727 4.556 -0.000 0.000 0.273 1162 H C 1.089 176.384 175.328 -0.055 0.000 0.997 1162 H CA 0.613 56.607 56.048 -0.089 0.000 1.177 1162 H CB 0.668 30.306 29.762 -0.207 0.000 1.471 1162 H HN 0.503 nan 8.280 nan 0.000 0.538 1163 G N 1.980 110.718 108.800 -0.103 0.000 2.553 1163 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.242 1163 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.242 1163 G C -0.277 174.572 174.900 -0.086 0.000 1.277 1163 G CA -0.105 44.936 45.100 -0.098 0.000 0.910 1163 G HN 0.463 nan 8.290 nan 0.000 0.576 1164 D N 0.488 120.857 120.400 -0.052 0.000 2.304 1164 D HA 0.315 4.954 4.640 -0.000 0.000 0.247 1164 D C 1.695 177.993 176.300 -0.003 0.000 1.089 1164 D CA -0.242 53.725 54.000 -0.056 0.000 0.910 1164 D CB 1.803 42.567 40.800 -0.061 0.000 1.199 1164 D HN 0.567 nan 8.370 nan 0.000 0.426 1165 L N 2.376 123.567 121.223 -0.053 0.000 2.081 1165 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 1165 L C 2.575 179.478 176.870 0.055 0.000 1.080 1165 L CA 1.686 56.484 54.840 -0.070 0.000 0.754 1165 L CB -0.618 41.370 42.059 -0.120 0.000 0.893 1165 L HN 0.543 nan 8.230 nan 0.000 0.433 1166 R N -0.509 120.030 120.500 0.064 0.000 2.062 1166 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 1166 R C 2.130 178.502 176.300 0.120 0.000 1.136 1166 R CA 2.021 58.179 56.100 0.097 0.000 0.948 1166 R CB -0.376 29.975 30.300 0.086 0.000 0.845 1166 R HN 0.524 nan 8.270 nan 0.000 0.430 1167 N N -0.372 118.398 118.700 0.117 0.000 2.149 1167 N HA -0.199 4.541 4.740 -0.000 0.000 0.188 1167 N C 1.536 177.150 175.510 0.173 0.000 1.019 1167 N CA 1.372 54.497 53.050 0.124 0.000 0.857 1167 N CB -0.207 38.346 38.487 0.109 0.000 0.997 1167 N HN 0.135 nan 8.380 nan 0.000 0.426 1168 F N 2.195 122.191 119.950 0.076 0.000 2.069 1168 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 1168 F C 1.956 177.871 175.800 0.192 0.000 1.113 1168 F CA 1.314 59.391 58.000 0.128 0.000 1.214 1168 F CB -0.298 38.682 39.000 -0.032 0.000 0.978 1168 F HN 0.021 nan 8.300 nan 0.000 0.474 1169 I N -1.636 119.064 120.570 0.216 0.000 2.830 1169 I HA -0.050 4.120 4.170 -0.000 0.000 0.263 1169 I C 1.982 178.131 176.117 0.053 0.000 1.230 1169 I CA 0.973 62.355 61.300 0.136 0.000 1.480 1169 I CB -0.550 37.577 38.000 0.212 0.000 1.095 1169 I HN 0.108 nan 8.210 nan 0.000 0.455 1170 R N 1.293 121.825 120.500 0.053 0.000 2.210 1170 R HA 0.092 4.432 4.340 -0.000 0.000 0.203 1170 R C 0.803 177.089 176.300 -0.023 0.000 1.010 1170 R CA -0.048 56.069 56.100 0.027 0.000 1.008 1170 R CB -0.219 30.113 30.300 0.054 0.000 0.923 1170 R HN 0.362 nan 8.270 nan 0.000 0.469 1171 N N 2.483 121.145 118.700 -0.063 0.000 2.438 1171 N HA -0.088 4.652 4.740 -0.000 0.000 0.267 1171 N C 0.572 175.927 175.510 -0.257 0.000 1.222 1171 N CA 0.337 53.276 53.050 -0.186 0.000 0.930 1171 N CB 0.928 39.227 38.487 -0.313 0.000 1.083 1171 N HN 0.321 nan 8.380 nan 0.000 0.476 1172 E N 1.162 121.249 120.200 -0.187 0.000 2.482 1172 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 1172 E C 1.057 177.556 176.600 -0.168 0.000 1.047 1172 E CA 0.898 57.214 56.400 -0.139 0.000 0.869 1172 E CB -0.242 29.409 29.700 -0.082 0.000 0.836 1172 E HN 0.683 nan 8.360 nan 0.000 0.520 1173 T N -1.580 112.808 114.554 -0.277 0.000 3.023 1173 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 1173 T C 0.520 175.101 174.700 -0.198 0.000 1.093 1173 T CA 0.290 62.248 62.100 -0.236 0.000 1.129 1173 T CB -0.562 68.157 68.868 -0.248 0.000 0.899 1173 T HN 0.297 nan 8.240 nan 0.000 0.491 1174 H N 1.154 120.131 119.070 -0.154 0.000 2.481 1174 H HA 0.456 5.012 4.556 -0.000 0.000 0.339 1174 H C 0.136 175.379 175.328 -0.142 0.000 1.131 1174 H CA -0.808 55.120 56.048 -0.200 0.000 1.301 1174 H CB 0.656 30.131 29.762 -0.479 0.000 1.476 1174 H HN 0.123 nan 8.280 nan 0.000 0.529 1175 N N 3.449 122.168 118.700 0.030 0.000 2.918 1175 N HA 0.120 4.860 4.740 -0.000 0.000 0.270 1175 N C -2.690 172.813 175.510 -0.012 0.000 1.536 1175 N CA -1.417 51.628 53.050 -0.008 0.000 0.877 1175 N CB 0.664 39.136 38.487 -0.026 0.000 1.190 1175 N HN 0.519 nan 8.380 nan 0.000 0.492 1176 P HA 0.050 nan 4.420 nan 0.000 0.267 1176 P C 0.434 177.706 177.300 -0.047 0.000 1.205 1176 P CA 0.069 63.182 63.100 0.022 0.000 0.765 1176 P CB 0.584 32.409 31.700 0.208 0.000 0.828 1177 T N -0.943 113.551 114.554 -0.101 0.000 2.726 1177 T HA 0.093 4.443 4.350 -0.000 0.000 0.294 1177 T C 1.525 176.136 174.700 -0.149 0.000 1.013 1177 T CA -0.674 61.356 62.100 -0.115 0.000 0.996 1177 T CB 0.061 68.862 68.868 -0.112 0.000 1.016 1177 T HN 0.062 nan 8.240 nan 0.000 0.529 1178 V N 1.018 120.836 119.914 -0.160 0.000 2.332 1178 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 1178 V C 2.841 178.692 176.094 -0.405 0.000 1.055 1178 V CA 2.264 64.417 62.300 -0.246 0.000 1.038 1178 V CB -1.030 30.664 31.823 -0.215 0.000 0.651 1178 V HN 0.988 nan 8.190 nan 0.000 0.450 1179 K N 0.022 120.194 120.400 -0.380 0.000 2.026 1179 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 1179 K C 1.919 178.426 176.600 -0.155 0.000 1.048 1179 K CA 1.959 58.028 56.287 -0.363 0.000 0.929 1179 K CB -0.275 32.052 32.500 -0.288 0.000 0.713 1179 K HN 0.461 nan 8.250 nan 0.000 0.439 1180 D N 0.944 121.210 120.400 -0.224 0.000 2.104 1180 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 1180 D C 2.059 177.936 176.300 -0.705 0.000 0.994 1180 D CA 1.198 54.941 54.000 -0.428 0.000 0.830 1180 D CB -0.216 40.320 40.800 -0.441 0.000 0.959 1180 D HN 0.257 nan 8.370 nan 0.000 0.452 1181 L N 0.540 121.526 121.223 -0.395 0.000 2.046 1181 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 1181 L C 2.610 179.426 176.870 -0.090 0.000 1.077 1181 L CA 0.786 55.525 54.840 -0.168 0.000 0.747 1181 L CB -0.314 41.720 42.059 -0.042 0.000 0.896 1181 L HN 0.012 nan 8.230 nan 0.000 0.432 1182 I N -0.401 120.101 120.570 -0.113 0.000 2.315 1182 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 1182 I C 2.633 178.757 176.117 0.013 0.000 1.117 1182 I CA 1.257 62.545 61.300 -0.020 0.000 1.404 1182 I CB -0.877 37.089 38.000 -0.058 0.000 1.071 1182 I HN 0.279 nan 8.210 nan 0.000 0.419 1183 G N 1.126 109.905 108.800 -0.034 0.000 2.440 1183 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 1183 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 1183 G C 1.433 176.261 174.900 -0.121 0.000 1.154 1183 G CA 0.595 45.503 45.100 -0.320 0.000 0.767 1183 G HN 0.176 nan 8.290 nan 0.000 0.552 1184 F N 1.754 121.688 119.950 -0.026 0.000 2.095 1184 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 1184 F C 2.901 178.724 175.800 0.039 0.000 1.104 1184 F CA 0.587 58.586 58.000 -0.002 0.000 1.232 1184 F CB -1.167 37.842 39.000 0.016 0.000 0.987 1184 F HN 0.186 nan 8.300 nan 0.000 0.475 1185 G N -0.104 108.841 108.800 0.241 0.000 2.418 1185 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 1185 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 1185 G C 1.733 176.817 174.900 0.307 0.000 1.158 1185 G CA 0.857 46.098 45.100 0.235 0.000 0.771 1185 G HN 0.322 nan 8.290 nan 0.000 0.545 1186 L N 0.571 121.885 121.223 0.151 0.000 2.012 1186 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 1186 L C 2.867 179.783 176.870 0.078 0.000 1.073 1186 L CA 2.135 57.024 54.840 0.082 0.000 0.748 1186 L CB -0.815 41.172 42.059 -0.120 0.000 0.891 1186 L HN 0.337 nan 8.230 nan 0.000 0.431 1187 Q N -1.302 118.537 119.800 0.066 0.000 2.084 1187 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 1187 Q C 2.199 178.262 176.000 0.105 0.000 0.978 1187 Q CA 1.899 57.748 55.803 0.077 0.000 0.844 1187 Q CB -0.293 28.500 28.738 0.092 0.000 0.898 1187 Q HN 0.482 nan 8.270 nan 0.000 0.426 1188 V N 1.024 121.041 119.914 0.171 0.000 2.287 1188 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 1188 V C 2.288 178.410 176.094 0.047 0.000 1.053 1188 V CA 1.967 64.374 62.300 0.179 0.000 1.027 1188 V CB -0.993 31.041 31.823 0.351 0.000 0.646 1188 V HN 0.423 nan 8.190 nan 0.000 0.447 1189 A N -0.736 122.118 122.820 0.058 0.000 1.972 1189 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 1189 A C 2.285 179.763 177.584 -0.176 0.000 1.169 1189 A CA 1.955 53.847 52.037 -0.242 0.000 0.635 1189 A CB -0.430 18.457 19.000 -0.189 0.000 0.810 1189 A HN 0.562 nan 8.150 nan 0.000 0.446 1190 K N -0.909 119.456 120.400 -0.058 0.000 2.057 1190 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 1190 K C 2.125 178.613 176.600 -0.187 0.000 1.050 1190 K CA 1.055 57.323 56.287 -0.032 0.000 0.935 1190 K CB -0.377 32.185 32.500 0.103 0.000 0.715 1190 K HN 0.468 nan 8.250 nan 0.000 0.439 1191 G N 0.823 109.528 108.800 -0.157 0.000 2.408 1191 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 1191 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 1191 G C 1.435 176.151 174.900 -0.305 0.000 1.150 1191 G CA 0.440 45.394 45.100 -0.243 0.000 0.776 1191 G HN 0.052 nan 8.290 nan 0.000 0.542 1192 M N 0.608 119.938 119.600 -0.450 0.000 2.175 1192 M HA 0.056 4.536 4.480 -0.000 0.000 0.264 1192 M C 2.291 178.193 176.300 -0.664 0.000 1.063 1192 M CA 1.090 55.917 55.300 -0.788 0.000 1.119 1192 M CB -0.952 30.626 32.600 -1.703 0.000 1.377 1192 M HN 0.314 nan 8.290 nan 0.000 0.415 1193 K N -0.402 119.730 120.400 -0.446 0.000 2.074 1193 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 1193 K C 2.128 178.620 176.600 -0.181 0.000 1.048 1193 K CA 1.747 57.933 56.287 -0.168 0.000 0.926 1193 K CB -0.361 32.092 32.500 -0.078 0.000 0.713 1193 K HN 0.255 nan 8.250 nan 0.000 0.444 1194 Y N 1.362 121.415 120.300 -0.412 0.000 2.109 1194 Y HA -0.177 4.373 4.550 -0.000 0.000 0.285 1194 Y C 1.850 177.552 175.900 -0.330 0.000 1.131 1194 Y CA 1.641 59.490 58.100 -0.419 0.000 1.121 1194 Y CB -0.400 37.626 38.460 -0.723 0.000 0.987 1194 Y HN -0.006 nan 8.280 nan 0.000 0.495 1195 L N 0.004 121.018 121.223 -0.348 0.000 2.013 1195 L HA -0.314 4.026 4.340 -0.000 0.000 0.212 1195 L C 2.769 179.499 176.870 -0.234 0.000 1.073 1195 L CA 1.497 56.143 54.840 -0.323 0.000 0.753 1195 L CB -1.156 40.846 42.059 -0.094 0.000 0.890 1195 L HN 0.406 nan 8.230 nan 0.000 0.432 1196 A N -0.044 122.673 122.820 -0.172 0.000 1.933 1196 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 1196 A C 2.524 180.046 177.584 -0.103 0.000 1.175 1196 A CA 1.935 53.936 52.037 -0.059 0.000 0.628 1196 A CB -0.682 18.349 19.000 0.051 0.000 0.814 1196 A HN 0.553 nan 8.150 nan 0.000 0.444 1197 S N -0.014 115.571 115.700 -0.193 0.000 2.399 1197 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 1197 S C 1.567 176.019 174.600 -0.247 0.000 1.022 1197 S CA 1.465 59.545 58.200 -0.200 0.000 0.983 1197 S CB -0.363 62.702 63.200 -0.224 0.000 0.803 1197 S HN 0.565 nan 8.310 nan 0.000 0.480 1198 K N 1.060 121.226 120.400 -0.390 0.000 2.505 1198 K HA 0.163 4.483 4.320 -0.000 0.000 0.192 1198 K C -0.144 176.405 176.600 -0.086 0.000 1.025 1198 K CA 0.081 56.164 56.287 -0.340 0.000 1.086 1198 K CB -0.099 31.968 32.500 -0.721 0.000 0.840 1198 K HN 0.419 nan 8.250 nan 0.000 0.514 1199 K N 0.504 120.878 120.400 -0.043 0.000 3.035 1199 K HA -0.208 4.112 4.320 -0.000 0.000 0.262 1199 K C -0.495 176.185 176.600 0.133 0.000 1.024 1199 K CA 0.381 56.691 56.287 0.038 0.000 0.748 1199 K CB -1.568 30.950 32.500 0.031 0.000 1.247 1199 K HN 0.129 nan 8.250 nan 0.000 0.482 1200 F N 0.608 120.549 119.950 -0.015 0.000 2.420 1200 F HA 0.388 4.915 4.527 -0.000 0.000 0.342 1200 F C 0.112 175.934 175.800 0.036 0.000 1.113 1200 F CA -0.963 57.070 58.000 0.054 0.000 1.059 1200 F CB 1.125 40.212 39.000 0.144 0.000 1.128 1200 F HN -0.186 nan 8.300 nan 0.000 0.475 1201 V N 6.831 126.387 119.914 -0.597 0.000 2.394 1201 V HA 0.115 4.235 4.120 -0.000 0.000 0.282 1201 V C 1.026 176.761 176.094 -0.597 0.000 1.031 1201 V CA -0.460 61.617 62.300 -0.372 0.000 0.881 1201 V CB 1.015 32.744 31.823 -0.157 0.000 0.982 1201 V HN 0.870 nan 8.190 nan 0.000 0.451 1202 H N 4.924 123.819 119.070 -0.292 0.000 2.333 1202 H HA 0.019 4.575 4.556 -0.000 0.000 0.302 1202 H C 1.593 176.881 175.328 -0.067 0.000 1.075 1202 H CA 1.876 57.838 56.048 -0.143 0.000 1.348 1202 H CB 0.378 30.144 29.762 0.008 0.000 1.393 1202 H HN 0.733 nan 8.280 nan 0.000 0.509 1203 R N -0.807 119.807 120.500 0.190 0.000 3.884 1203 R HA -0.192 4.148 4.340 -0.000 0.000 0.464 1203 R C -0.390 176.039 176.300 0.215 0.000 0.963 1203 R CA 1.344 57.497 56.100 0.089 0.000 1.408 1203 R CB -1.394 28.712 30.300 -0.323 0.000 2.054 1203 R HN 0.333 nan 8.270 nan 0.000 0.522 1204 D N 0.001 120.658 120.400 0.429 0.000 3.007 1204 D HA 0.147 4.787 4.640 -0.000 0.000 0.363 1204 D C -1.144 175.249 176.300 0.155 0.000 1.474 1204 D CA -0.407 53.783 54.000 0.318 0.000 0.767 1204 D CB 0.366 41.372 40.800 0.344 0.000 1.227 1204 D HN 0.042 nan 8.370 nan 0.000 0.471 1205 L N 1.571 122.792 121.223 -0.005 0.000 2.410 1205 L HA 0.666 5.006 4.340 -0.000 0.000 0.273 1205 L C -0.396 176.443 176.870 -0.050 0.000 1.144 1205 L CA 0.384 55.117 54.840 -0.179 0.000 0.863 1205 L CB 0.516 42.540 42.059 -0.058 0.000 1.140 1205 L HN 0.223 nan 8.230 nan 0.000 0.463 1206 A N 3.803 126.552 122.820 -0.119 0.000 2.586 1206 A HA 0.689 5.009 4.320 -0.000 0.000 0.291 1206 A C 0.326 177.875 177.584 -0.058 0.000 1.062 1206 A CA -0.137 51.779 52.037 -0.201 0.000 0.666 1206 A CB 0.365 18.864 19.000 -0.835 0.000 1.281 1206 A HN 0.973 nan 8.150 nan 0.000 0.421 1207 A N 0.268 123.104 122.820 0.028 0.000 2.067 1207 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 1207 A C 1.874 179.458 177.584 -0.001 0.000 1.158 1207 A CA 1.740 53.805 52.037 0.047 0.000 0.661 1207 A CB -0.561 18.505 19.000 0.111 0.000 0.801 1207 A HN 0.993 nan 8.150 nan 0.000 0.452 1208 R N -0.798 119.674 120.500 -0.046 0.000 2.189 1208 R HA 0.020 4.360 4.340 -0.000 0.000 0.223 1208 R C 0.291 176.572 176.300 -0.031 0.000 1.092 1208 R CA 1.427 57.510 56.100 -0.027 0.000 0.989 1208 R CB -0.340 29.944 30.300 -0.026 0.000 0.876 1208 R HN 0.300 nan 8.270 nan 0.000 0.457 1209 N N 0.054 118.742 118.700 -0.020 0.000 2.214 1209 N HA 0.126 4.865 4.740 -0.000 0.000 0.214 1209 N C -0.899 174.635 175.510 0.040 0.000 1.132 1209 N CA -0.110 52.960 53.050 0.032 0.000 0.856 1209 N CB 0.706 39.274 38.487 0.134 0.000 1.020 1209 N HN 0.144 nan 8.380 nan 0.000 0.509 1210 C N 1.438 120.737 119.300 -0.002 0.000 2.382 1210 C HA 0.577 5.037 4.460 -0.000 0.000 0.327 1210 C C 0.266 175.219 174.990 -0.061 0.000 1.250 1210 C CA -0.930 58.087 59.018 -0.003 0.000 1.707 1210 C CB 0.924 28.666 27.740 0.003 0.000 2.272 1210 C HN 0.176 nan 8.230 nan 0.000 0.506 1211 M N 2.564 122.121 119.600 -0.071 0.000 2.654 1211 M HA 0.631 5.111 4.480 -0.000 0.000 0.310 1211 M C -0.669 175.536 176.300 -0.159 0.000 1.211 1211 M CA -0.654 54.572 55.300 -0.123 0.000 0.947 1211 M CB 1.033 33.558 32.600 -0.126 0.000 1.647 1211 M HN 0.507 nan 8.290 nan 0.000 0.481 1212 L N 1.815 122.916 121.223 -0.203 0.000 2.381 1212 L HA 0.339 4.679 4.340 -0.000 0.000 0.274 1212 L C -0.499 176.243 176.870 -0.212 0.000 0.988 1212 L CA -0.779 53.907 54.840 -0.256 0.000 0.824 1212 L CB 1.978 43.773 42.059 -0.440 0.000 1.263 1212 L HN 0.724 nan 8.230 nan 0.000 0.410 1213 D N 2.068 122.353 120.400 -0.192 0.000 2.466 1213 D HA 0.033 4.673 4.640 -0.000 0.000 0.262 1213 D C 0.928 177.089 176.300 -0.233 0.000 1.177 1213 D CA -0.484 53.405 54.000 -0.186 0.000 1.035 1213 D CB 0.587 41.313 40.800 -0.123 0.000 1.105 1213 D HN 0.545 nan 8.370 nan 0.000 0.551 1214 E N 0.282 120.353 120.200 -0.215 0.000 2.331 1214 E HA -0.250 4.100 4.350 -0.000 0.000 0.199 1214 E C 0.571 176.972 176.600 -0.333 0.000 1.008 1214 E CA 1.189 57.438 56.400 -0.252 0.000 0.843 1214 E CB -0.338 29.279 29.700 -0.137 0.000 0.761 1214 E HN 0.579 nan 8.360 nan 0.000 0.507 1215 K N -0.370 119.881 120.400 -0.247 0.000 2.372 1215 K HA 0.169 4.489 4.320 -0.000 0.000 0.200 1215 K C -0.575 176.038 176.600 0.022 0.000 1.022 1215 K CA -0.084 56.145 56.287 -0.096 0.000 1.125 1215 K CB 0.028 32.525 32.500 -0.004 0.000 0.855 1215 K HN -0.047 nan 8.250 nan 0.000 0.524 1216 F N 0.180 120.118 119.950 -0.020 0.000 3.074 1216 F HA -0.254 4.273 4.527 -0.000 0.000 0.289 1216 F C -0.169 175.622 175.800 -0.014 0.000 0.863 1216 F CA 0.396 58.347 58.000 -0.083 0.000 1.121 1216 F CB -2.796 36.178 39.000 -0.044 0.000 1.169 1216 F HN -0.115 nan 8.300 nan 0.000 0.570 1217 T N 1.039 115.622 114.554 0.047 0.000 2.832 1217 T HA 0.511 4.861 4.350 -0.000 0.000 0.296 1217 T C 0.510 175.200 174.700 -0.017 0.000 0.968 1217 T CA -0.507 61.611 62.100 0.032 0.000 1.107 1217 T CB 1.616 70.482 68.868 -0.004 0.000 0.916 1217 T HN 0.049 nan 8.240 nan 0.000 0.517 1218 V N 5.390 125.312 119.914 0.014 0.000 2.461 1218 V HA 0.293 4.413 4.120 -0.000 0.000 0.275 1218 V C 0.253 176.353 176.094 0.010 0.000 1.047 1218 V CA -0.557 61.727 62.300 -0.027 0.000 0.955 1218 V CB 0.764 32.594 31.823 0.011 0.000 0.988 1218 V HN 0.668 nan 8.190 nan 0.000 0.471 1219 K N 4.159 124.558 120.400 -0.003 0.000 2.307 1219 K HA 0.461 4.781 4.320 -0.000 0.000 0.263 1219 K C -0.745 175.907 176.600 0.087 0.000 0.973 1219 K CA -0.706 55.610 56.287 0.049 0.000 0.846 1219 K CB 1.945 34.462 32.500 0.029 0.000 1.100 1219 K HN 0.403 nan 8.250 nan 0.000 0.438 1220 V N 2.602 122.601 119.914 0.142 0.000 2.540 1220 V HA 0.206 4.326 4.120 -0.000 0.000 0.297 1220 V C 0.723 177.050 176.094 0.388 0.000 1.024 1220 V CA 0.145 62.570 62.300 0.208 0.000 1.105 1220 V CB 0.440 32.365 31.823 0.170 0.000 0.938 1220 V HN 0.920 nan 8.190 nan 0.000 0.482 1221 A N 3.559 126.613 122.820 0.391 0.000 2.539 1221 A HA 0.745 5.065 4.320 -0.000 0.000 0.272 1221 A C 0.298 178.204 177.584 0.537 0.000 1.286 1221 A CA 0.021 52.283 52.037 0.376 0.000 0.792 1221 A CB 0.639 19.699 19.000 0.100 0.000 1.355 1221 A HN 0.887 nan 8.150 nan 0.000 0.472 1222 D N -2.049 118.523 120.400 0.287 0.000 2.716 1222 D HA -0.123 4.517 4.640 -0.000 0.000 0.239 1222 D C -0.542 175.955 176.300 0.329 0.000 1.125 1222 D CA 1.736 55.953 54.000 0.361 0.000 0.681 1222 D CB -1.736 39.334 40.800 0.449 0.000 1.070 1222 D HN 1.267 nan 8.370 nan 0.000 0.432 1223 F N -2.463 117.519 119.950 0.055 0.000 2.662 1223 F HA 0.736 5.263 4.527 -0.000 0.000 0.312 1223 F C 1.140 176.956 175.800 0.028 0.000 1.113 1223 F CA 0.072 58.057 58.000 -0.026 0.000 0.951 1223 F CB 0.975 39.899 39.000 -0.126 0.000 1.344 1223 F HN 0.278 nan 8.300 nan 0.000 0.462 1224 G N 1.090 109.958 108.800 0.113 0.000 2.574 1224 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.286 1224 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.286 1224 G C 0.517 175.369 174.900 -0.079 0.000 1.212 1224 G CA 0.304 45.355 45.100 -0.082 0.000 0.979 1224 G HN 1.071 nan 8.290 nan 0.000 0.557 1225 L N 0.995 122.130 121.223 -0.148 0.000 2.362 1225 L HA 0.158 4.498 4.340 -0.000 0.000 0.219 1225 L C 3.118 180.017 176.870 0.049 0.000 1.134 1225 L CA 1.546 56.369 54.840 -0.028 0.000 0.807 1225 L CB -0.583 41.418 42.059 -0.096 0.000 0.927 1225 L HN 0.724 nan 8.230 nan 0.000 0.447 1226 A N -0.032 122.772 122.820 -0.026 0.000 2.251 1226 A HA -0.010 4.310 4.320 -0.000 0.000 0.209 1226 A C 1.220 178.915 177.584 0.184 0.000 1.187 1226 A CA -0.262 51.820 52.037 0.075 0.000 0.823 1226 A CB -0.319 18.671 19.000 -0.018 0.000 0.846 1226 A HN 0.272 nan 8.150 nan 0.000 0.486 1227 R N 0.954 121.542 120.500 0.146 0.000 2.421 1227 R HA 0.247 4.587 4.340 -0.000 0.000 0.305 1227 R C -1.145 175.245 176.300 0.149 0.000 1.039 1227 R CA 0.299 56.509 56.100 0.183 0.000 1.003 1227 R CB 0.135 30.535 30.300 0.168 0.000 0.959 1227 R HN 0.307 nan 8.270 nan 0.000 0.427 1228 D N 3.145 123.518 120.400 -0.044 0.000 2.677 1228 D HA 0.226 4.866 4.640 -0.000 0.000 0.298 1228 D C -1.142 174.815 176.300 -0.571 0.000 1.250 1228 D CA -0.597 53.113 54.000 -0.483 0.000 0.888 1228 D CB 1.412 41.664 40.800 -0.914 0.000 1.397 1228 D HN 0.476 nan 8.370 nan 0.000 0.461 1229 M N 2.116 121.251 119.600 -0.775 0.000 2.080 1229 M HA 0.251 4.731 4.480 -0.000 0.000 0.350 1229 M C -0.346 175.685 176.300 -0.448 0.000 1.143 1229 M CA -0.371 54.499 55.300 -0.717 0.000 1.064 1229 M CB 1.006 33.026 32.600 -0.967 0.000 1.429 1229 M HN 0.351 nan 8.290 nan 0.000 0.418 1230 Y N -0.408 119.860 120.300 -0.053 0.000 2.482 1230 Y HA 0.129 4.679 4.550 -0.000 0.000 0.270 1230 Y C 0.673 176.613 175.900 0.066 0.000 1.152 1230 Y CA 0.101 58.204 58.100 0.005 0.000 1.292 1230 Y CB 0.495 38.969 38.460 0.023 0.000 1.070 1230 Y HN 0.479 nan 8.280 nan 0.000 0.528 1231 D N -0.147 120.411 120.400 0.263 0.000 2.323 1231 D HA 0.126 4.766 4.640 -0.000 0.000 0.242 1231 D C 0.062 176.562 176.300 0.334 0.000 1.347 1231 D CA -0.112 54.055 54.000 0.278 0.000 0.988 1231 D CB 0.933 41.948 40.800 0.359 0.000 1.314 1231 D HN 0.086 nan 8.370 nan 0.000 0.564 1232 K N 1.518 122.014 120.400 0.160 0.000 2.366 1232 K HA -0.073 4.247 4.320 -0.000 0.000 0.198 1232 K C 1.512 178.197 176.600 0.141 0.000 1.044 1232 K CA 0.216 56.587 56.287 0.140 0.000 0.973 1232 K CB 0.620 33.115 32.500 -0.009 0.000 0.767 1232 K HN 0.489 nan 8.250 nan 0.000 0.475 1233 E N 0.553 120.760 120.200 0.010 0.000 2.130 1233 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 1233 E C 0.668 177.110 176.600 -0.262 0.000 0.998 1233 E CA 1.358 57.630 56.400 -0.213 0.000 0.806 1233 E CB 0.004 29.424 29.700 -0.466 0.000 0.738 1233 E HN 0.361 nan 8.360 nan 0.000 0.459 1234 Y N -1.326 119.026 120.300 0.087 0.000 2.461 1234 Y HA 0.140 4.690 4.550 -0.000 0.000 0.277 1234 Y C -0.455 175.291 175.900 -0.256 0.000 1.182 1234 Y CA 0.003 58.078 58.100 -0.043 0.000 1.276 1234 Y CB 0.203 38.610 38.460 -0.088 0.000 1.087 1234 Y HN -0.027 nan 8.280 nan 0.000 0.519 1235 Y N -1.047 119.302 120.300 0.082 0.000 2.352 1235 Y HA 0.540 5.090 4.550 -0.000 0.000 0.339 1235 Y C 0.455 176.346 175.900 -0.014 0.000 0.992 1235 Y CA -1.024 57.097 58.100 0.035 0.000 1.100 1235 Y CB 1.616 40.069 38.460 -0.012 0.000 1.192 1235 Y HN -0.280 nan 8.280 nan 0.000 0.458 1236 S N 1.286 117.045 115.700 0.100 0.000 2.704 1236 S HA 0.739 5.209 4.470 -0.000 0.000 0.305 1236 S C -0.904 173.786 174.600 0.150 0.000 1.107 1236 S CA -0.763 57.465 58.200 0.046 0.000 0.993 1236 S CB 1.612 64.695 63.200 -0.195 0.000 1.110 1236 S HN 0.310 nan 8.310 nan 0.000 0.534 1237 V N 2.235 122.269 119.914 0.199 0.000 2.483 1237 V HA 0.321 4.441 4.120 -0.000 0.000 0.295 1237 V C 0.085 176.364 176.094 0.308 0.000 1.035 1237 V CA -0.753 61.676 62.300 0.215 0.000 0.896 1237 V CB 1.412 33.321 31.823 0.142 0.000 0.986 1237 V HN 0.818 nan 8.190 nan 0.000 0.447 1238 H N 3.931 123.115 119.070 0.191 0.000 2.652 1238 H HA 0.163 4.719 4.556 -0.000 0.000 0.349 1238 H C 0.749 176.119 175.328 0.071 0.000 1.099 1238 H CA -0.121 56.023 56.048 0.159 0.000 1.417 1238 H CB 1.184 31.023 29.762 0.128 0.000 1.457 1238 H HN 0.638 nan 8.280 nan 0.000 0.568 1239 N N 3.042 121.537 118.700 -0.342 0.000 2.205 1239 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 1239 N C 0.663 176.171 175.510 -0.004 0.000 1.015 1239 N CA 1.194 54.126 53.050 -0.197 0.000 0.862 1239 N CB 0.283 38.572 38.487 -0.330 0.000 0.986 1239 N HN 0.547 nan 8.380 nan 0.000 0.429 1240 K N -1.173 119.349 120.400 0.205 0.000 2.447 1240 K HA 0.191 4.510 4.320 -0.000 0.000 0.205 1240 K C 0.792 177.516 176.600 0.207 0.000 1.059 1240 K CA 0.156 56.570 56.287 0.211 0.000 1.065 1240 K CB 1.228 33.861 32.500 0.222 0.000 0.885 1240 K HN 0.054 nan 8.250 nan 0.000 0.545 1241 T N -1.771 112.930 114.554 0.245 0.000 3.073 1241 T HA 0.158 4.508 4.350 -0.000 0.000 0.264 1241 T C 0.943 175.707 174.700 0.108 0.000 0.893 1241 T CA 1.100 63.265 62.100 0.109 0.000 0.863 1241 T CB 0.274 69.140 68.868 -0.002 0.000 1.247 1241 T HN 0.310 nan 8.240 nan 0.000 0.546 1242 G N 1.747 110.637 108.800 0.151 0.000 2.148 1242 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.254 1242 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.254 1242 G C 0.323 175.290 174.900 0.112 0.000 0.981 1242 G CA 0.329 45.500 45.100 0.118 0.000 0.670 1242 G HN 1.167 nan 8.290 nan 0.000 0.528 1243 A N -0.668 122.230 122.820 0.129 0.000 2.351 1243 A HA 0.717 5.037 4.320 -0.000 0.000 0.257 1243 A C 0.362 178.032 177.584 0.143 0.000 1.087 1243 A CA 0.225 52.331 52.037 0.115 0.000 0.798 1243 A CB 0.477 19.543 19.000 0.109 0.000 1.033 1243 A HN 0.339 nan 8.150 nan 0.000 0.488 1244 K N 1.154 121.623 120.400 0.115 0.000 2.281 1244 K HA 0.550 4.870 4.320 -0.000 0.000 0.272 1244 K C -1.145 175.603 176.600 0.247 0.000 1.048 1244 K CA 0.395 56.764 56.287 0.137 0.000 0.898 1244 K CB 1.065 33.571 32.500 0.011 0.000 1.128 1244 K HN 0.525 nan 8.250 nan 0.000 0.460 1245 L N 5.496 126.881 121.223 0.270 0.000 2.319 1245 L HA 0.411 4.751 4.340 -0.000 0.000 0.281 1245 L C -2.006 174.957 176.870 0.156 0.000 1.005 1245 L CA -2.063 52.928 54.840 0.253 0.000 0.828 1245 L CB 1.935 44.136 42.059 0.236 0.000 1.227 1245 L HN 0.418 nan 8.230 nan 0.000 0.415 1246 P HA 0.004 nan 4.420 nan 0.000 0.237 1246 P C 1.128 178.507 177.300 0.132 0.000 1.788 1246 P CA -0.186 62.825 63.100 -0.147 0.000 1.061 1246 P CB 0.337 31.846 31.700 -0.319 0.000 1.967 1247 V N 1.028 120.981 119.914 0.065 0.000 2.469 1247 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 1247 V C 1.780 177.872 176.094 -0.002 0.000 1.064 1247 V CA 1.445 63.747 62.300 0.005 0.000 1.066 1247 V CB -1.338 30.398 31.823 -0.145 0.000 0.667 1247 V HN 0.177 nan 8.190 nan 0.000 0.461 1248 K N -1.268 119.173 120.400 0.069 0.000 2.525 1248 K HA 0.038 4.357 4.320 -0.000 0.000 0.192 1248 K C 1.502 178.032 176.600 -0.115 0.000 1.029 1248 K CA 0.871 57.103 56.287 -0.091 0.000 1.029 1248 K CB -0.075 32.331 32.500 -0.155 0.000 0.814 1248 K HN 0.675 nan 8.250 nan 0.000 0.503 1249 W N 0.292 121.630 121.300 0.063 0.000 3.008 1249 W HA 0.267 4.927 4.660 -0.000 0.000 0.355 1249 W C 0.146 176.750 176.519 0.142 0.000 1.095 1249 W CA -0.405 57.038 57.345 0.163 0.000 1.738 1249 W CB 0.348 29.876 29.460 0.114 0.000 1.091 1249 W HN -0.031 nan 8.180 nan 0.000 0.574 1250 M N 0.544 120.213 119.600 0.115 0.000 2.249 1250 M HA 0.392 4.872 4.480 -0.000 0.000 0.351 1250 M C 0.701 176.534 176.300 -0.779 0.000 1.180 1250 M CA -0.201 55.019 55.300 -0.133 0.000 1.127 1250 M CB 1.270 33.823 32.600 -0.078 0.000 1.546 1250 M HN -0.255 nan 8.290 nan 0.000 0.461 1251 A N 1.912 124.178 122.820 -0.923 0.000 2.406 1251 A HA 0.148 4.468 4.320 -0.000 0.000 0.243 1251 A C 0.869 177.819 177.584 -1.056 0.000 1.082 1251 A CA -0.474 50.671 52.037 -1.487 0.000 0.786 1251 A CB 0.217 18.897 19.000 -0.534 0.000 1.029 1251 A HN 0.940 nan 8.150 nan 0.000 0.495 1252 L N 0.788 121.363 121.223 -1.080 0.000 1.990 1252 L HA -0.200 4.140 4.340 -0.000 0.000 0.213 1252 L C 2.717 179.405 176.870 -0.304 0.000 1.072 1252 L CA 2.840 57.382 54.840 -0.498 0.000 0.755 1252 L CB -0.800 41.131 42.059 -0.213 0.000 0.889 1252 L HN 0.915 nan 8.230 nan 0.000 0.432 1253 E N -1.407 118.643 120.200 -0.250 0.000 2.110 1253 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 1253 E C 1.926 178.374 176.600 -0.255 0.000 0.988 1253 E CA 1.654 57.943 56.400 -0.185 0.000 0.804 1253 E CB -0.715 28.910 29.700 -0.125 0.000 0.745 1253 E HN 0.520 nan 8.360 nan 0.000 0.458 1254 S N 1.146 116.614 115.700 -0.386 0.000 2.402 1254 S HA 0.004 4.474 4.470 -0.000 0.000 0.229 1254 S C 2.127 176.514 174.600 -0.355 0.000 1.021 1254 S CA 0.918 58.781 58.200 -0.562 0.000 0.974 1254 S CB -0.227 62.448 63.200 -0.875 0.000 0.800 1254 S HN 0.212 nan 8.310 nan 0.000 0.484 1255 L N 0.908 121.977 121.223 -0.258 0.000 2.156 1255 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 1255 L C 2.600 179.447 176.870 -0.038 0.000 1.095 1255 L CA 1.020 55.795 54.840 -0.108 0.000 0.770 1255 L CB -0.343 41.641 42.059 -0.125 0.000 0.914 1255 L HN 0.316 nan 8.230 nan 0.000 0.439 1256 Q N -0.907 118.843 119.800 -0.084 0.000 2.165 1256 Q HA -0.060 4.280 4.340 -0.000 0.000 0.197 1256 Q C 1.679 177.658 176.000 -0.036 0.000 0.952 1256 Q CA 1.745 57.524 55.803 -0.039 0.000 0.848 1256 Q CB 0.276 28.981 28.738 -0.054 0.000 0.931 1256 Q HN 0.531 nan 8.270 nan 0.000 0.470 1257 T N -3.755 110.749 114.554 -0.084 0.000 3.091 1257 T HA 0.128 4.478 4.350 -0.000 0.000 0.277 1257 T C 0.462 175.097 174.700 -0.109 0.000 0.996 1257 T CA -0.310 61.743 62.100 -0.080 0.000 0.897 1257 T CB 0.695 69.522 68.868 -0.068 0.000 1.109 1257 T HN 0.187 nan 8.240 nan 0.000 0.534 1258 Q N 1.262 120.967 119.800 -0.157 0.000 2.494 1258 Q HA -0.196 4.144 4.340 -0.000 0.000 0.266 1258 Q C -0.483 175.437 176.000 -0.132 0.000 1.053 1258 Q CA 0.901 56.621 55.803 -0.139 0.000 1.029 1258 Q CB -0.993 27.687 28.738 -0.097 0.000 1.423 1258 Q HN 0.912 nan 8.270 nan 0.000 0.516 1259 K N -0.460 119.778 120.400 -0.270 0.000 2.185 1259 K HA 0.597 4.917 4.320 -0.000 0.000 0.269 1259 K C -0.917 175.460 176.600 -0.371 0.000 0.987 1259 K CA -0.542 55.645 56.287 -0.167 0.000 0.865 1259 K CB 0.872 33.321 32.500 -0.086 0.000 1.090 1259 K HN -0.039 nan 8.250 nan 0.000 0.450 1260 F N 1.367 121.316 119.950 -0.002 0.000 2.495 1260 F HA 0.424 4.951 4.527 -0.000 0.000 0.327 1260 F C 0.281 176.088 175.800 0.013 0.000 1.103 1260 F CA -0.280 57.727 58.000 0.011 0.000 0.949 1260 F CB 2.490 41.497 39.000 0.013 0.000 1.142 1260 F HN 0.818 nan 8.300 nan 0.000 0.457 1261 T N -2.499 112.169 114.554 0.190 0.000 2.787 1261 T HA 0.270 4.620 4.350 -0.000 0.000 0.297 1261 T C 0.541 175.332 174.700 0.152 0.000 1.221 1261 T CA -0.611 61.565 62.100 0.127 0.000 1.006 1261 T CB 1.372 70.287 68.868 0.079 0.000 1.328 1261 T HN 0.381 nan 8.240 nan 0.000 0.509 1262 T N 0.959 115.590 114.554 0.128 0.000 2.720 1262 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 1262 T C 1.801 176.610 174.700 0.181 0.000 1.037 1262 T CA 1.146 63.353 62.100 0.179 0.000 1.144 1262 T CB -0.312 68.646 68.868 0.151 0.000 0.864 1262 T HN 0.489 nan 8.240 nan 0.000 0.444 1263 K N 1.587 122.053 120.400 0.110 0.000 2.209 1263 K HA -0.013 4.307 4.320 -0.000 0.000 0.204 1263 K C 2.664 179.368 176.600 0.173 0.000 1.048 1263 K CA 1.280 57.620 56.287 0.087 0.000 0.940 1263 K CB -0.537 31.999 32.500 0.060 0.000 0.729 1263 K HN 0.567 nan 8.250 nan 0.000 0.451 1264 S N 0.638 116.450 115.700 0.187 0.000 2.436 1264 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 1264 S C 1.417 176.227 174.600 0.350 0.000 1.014 1264 S CA 0.675 59.013 58.200 0.230 0.000 0.950 1264 S CB 0.018 63.273 63.200 0.091 0.000 0.784 1264 S HN 0.084 nan 8.310 nan 0.000 0.504 1265 D N 1.781 122.394 120.400 0.355 0.000 2.144 1265 D HA -0.025 4.615 4.640 -0.000 0.000 0.199 1265 D C 2.015 178.645 176.300 0.549 0.000 0.984 1265 D CA 0.825 55.098 54.000 0.455 0.000 0.834 1265 D CB -0.408 40.674 40.800 0.470 0.000 0.955 1265 D HN 0.323 nan 8.370 nan 0.000 0.465 1266 V N 0.671 120.766 119.914 0.302 0.000 2.358 1266 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 1266 V C 2.171 178.461 176.094 0.327 0.000 1.047 1266 V CA 1.177 63.500 62.300 0.039 0.000 1.035 1266 V CB -0.444 31.220 31.823 -0.265 0.000 0.658 1266 V HN 0.384 nan 8.190 nan 0.000 0.452 1267 W N 1.321 122.757 121.300 0.226 0.000 2.317 1267 W HA -0.243 4.417 4.660 -0.000 0.000 0.318 1267 W C 2.529 179.329 176.519 0.467 0.000 1.227 1267 W CA 2.392 59.960 57.345 0.372 0.000 1.269 1267 W CB -0.711 28.941 29.460 0.319 0.000 1.155 1267 W HN 0.335 nan 8.180 nan 0.000 0.484 1268 S N 0.497 116.685 115.700 0.814 0.000 2.382 1268 S HA -0.221 4.249 4.470 -0.000 0.000 0.228 1268 S C 1.561 176.536 174.600 0.624 0.000 1.027 1268 S CA 1.444 60.087 58.200 0.739 0.000 0.991 1268 S CB -1.061 62.497 63.200 0.597 0.000 0.823 1268 S HN 0.314 nan 8.310 nan 0.000 0.469 1269 F N 2.755 122.964 119.950 0.433 0.000 2.161 1269 F HA -0.052 4.475 4.527 -0.000 0.000 0.300 1269 F C 2.219 178.176 175.800 0.263 0.000 1.089 1269 F CA 1.213 59.424 58.000 0.352 0.000 1.282 1269 F CB -0.904 38.354 39.000 0.429 0.000 1.010 1269 F HN 0.217 nan 8.300 nan 0.000 0.485 1270 G N -0.227 108.663 108.800 0.151 0.000 2.422 1270 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 1270 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 1270 G C 1.697 176.775 174.900 0.297 0.000 1.146 1270 G CA 1.135 46.176 45.100 -0.098 0.000 0.769 1270 G HN 0.340 nan 8.290 nan 0.000 0.547 1271 V N 0.859 121.092 119.914 0.531 0.000 2.427 1271 V HA -0.100 4.020 4.120 -0.000 0.000 0.248 1271 V C 2.647 178.940 176.094 0.332 0.000 1.051 1271 V CA 1.489 63.996 62.300 0.345 0.000 1.048 1271 V CB -0.472 31.365 31.823 0.023 0.000 0.666 1271 V HN 0.394 nan 8.190 nan 0.000 0.456 1272 L N -0.507 120.906 121.223 0.316 0.000 2.046 1272 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 1272 L C 2.362 179.283 176.870 0.083 0.000 1.077 1272 L CA 1.683 56.663 54.840 0.235 0.000 0.747 1272 L CB -0.194 41.961 42.059 0.161 0.000 0.896 1272 L HN 0.235 nan 8.230 nan 0.000 0.432 1273 L N -1.525 119.634 121.223 -0.107 0.000 2.042 1273 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 1273 L C 2.369 179.299 176.870 0.099 0.000 1.076 1273 L CA 1.953 56.739 54.840 -0.091 0.000 0.749 1273 L CB -0.769 41.164 42.059 -0.208 0.000 0.893 1273 L HN 0.515 nan 8.230 nan 0.000 0.432 1274 W N 1.344 122.662 121.300 0.030 0.000 2.358 1274 W HA -0.194 4.466 4.660 -0.000 0.000 0.303 1274 W C 2.431 178.973 176.519 0.038 0.000 1.208 1274 W CA 1.615 59.002 57.345 0.071 0.000 1.274 1274 W CB 0.027 29.567 29.460 0.134 0.000 1.138 1274 W HN 0.098 nan 8.180 nan 0.000 0.515 1275 E N 0.187 120.591 120.200 0.341 0.000 2.085 1275 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 1275 E C 2.156 178.778 176.600 0.037 0.000 0.994 1275 E CA 1.812 58.329 56.400 0.195 0.000 0.801 1275 E CB -0.668 29.209 29.700 0.295 0.000 0.743 1275 E HN 0.380 nan 8.360 nan 0.000 0.453 1276 L N 0.174 121.432 121.223 0.058 0.000 2.046 1276 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 1276 L C 2.447 179.305 176.870 -0.020 0.000 1.077 1276 L CA 0.714 55.588 54.840 0.057 0.000 0.747 1276 L CB -0.223 41.886 42.059 0.084 0.000 0.896 1276 L HN 0.217 nan 8.230 nan 0.000 0.432 1277 M N -0.748 118.793 119.600 -0.099 0.000 2.476 1277 M HA -0.061 4.418 4.480 -0.000 0.000 0.262 1277 M C 2.101 178.266 176.300 -0.226 0.000 1.079 1277 M CA 1.450 56.663 55.300 -0.144 0.000 1.104 1277 M CB -1.311 31.197 32.600 -0.153 0.000 1.409 1277 M HN 0.375 nan 8.290 nan 0.000 0.467 1278 T N -3.554 110.787 114.554 -0.355 0.000 3.069 1278 T HA 0.229 4.579 4.350 -0.000 0.000 0.252 1278 T C 0.764 175.365 174.700 -0.165 0.000 1.053 1278 T CA -0.331 61.545 62.100 -0.374 0.000 0.964 1278 T CB -0.031 68.396 68.868 -0.735 0.000 1.005 1278 T HN 0.386 nan 8.240 nan 0.000 0.532 1279 R N 0.820 121.271 120.500 -0.083 0.000 3.333 1279 R HA -0.157 4.183 4.340 -0.000 0.000 0.256 1279 R C 0.988 177.296 176.300 0.015 0.000 1.010 1279 R CA 0.477 56.576 56.100 -0.002 0.000 0.680 1279 R CB -2.149 28.155 30.300 0.006 0.000 1.102 1279 R HN 0.981 nan 8.270 nan 0.000 0.440 1280 G N -1.799 107.013 108.800 0.020 0.000 2.149 1280 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.235 1280 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.235 1280 G C 0.214 175.166 174.900 0.086 0.000 1.018 1280 G CA 0.182 45.329 45.100 0.078 0.000 0.728 1280 G HN 0.837 nan 8.290 nan 0.000 0.508 1281 A N 0.611 123.449 122.820 0.029 0.000 2.386 1281 A HA 0.698 5.018 4.320 -0.000 0.000 0.248 1281 A C -1.052 176.676 177.584 0.239 0.000 1.082 1281 A CA -0.605 51.484 52.037 0.087 0.000 0.789 1281 A CB 0.349 19.343 19.000 -0.010 0.000 1.025 1281 A HN 0.326 nan 8.150 nan 0.000 0.490 1282 P HA 0.245 nan 4.420 nan 0.000 0.276 1282 P C -2.752 174.656 177.300 0.179 0.000 1.230 1282 P CA -1.120 62.129 63.100 0.249 0.000 0.776 1282 P CB 0.359 32.234 31.700 0.292 0.000 0.888 1283 P HA 0.095 nan 4.420 nan 0.000 0.279 1283 P C -0.596 176.445 177.300 -0.433 0.000 1.239 1283 P CA -0.213 62.489 63.100 -0.663 0.000 0.789 1283 P CB 0.056 31.133 31.700 -1.038 0.000 0.933 1284 Y N 0.627 120.636 120.300 -0.485 0.000 3.001 1284 Y HA -0.174 4.376 4.550 -0.000 0.000 0.199 1284 Y C -1.001 174.764 175.900 -0.225 0.000 1.320 1284 Y CA -0.110 57.747 58.100 -0.405 0.000 0.974 1284 Y CB -2.619 35.532 38.460 -0.515 0.000 1.291 1284 Y HN 0.441 nan 8.280 nan 0.000 0.465 1285 P HA -0.148 nan 4.420 nan 0.000 0.218 1285 P C 0.603 177.906 177.300 0.004 0.000 1.148 1285 P CA 1.762 64.878 63.100 0.027 0.000 0.822 1285 P CB 0.348 32.080 31.700 0.053 0.000 0.784 1286 D N -0.580 119.807 120.400 -0.022 0.000 2.463 1286 D HA 0.160 4.800 4.640 -0.000 0.000 0.224 1286 D C -0.191 176.070 176.300 -0.066 0.000 1.174 1286 D CA -0.017 53.967 54.000 -0.027 0.000 0.829 1286 D CB 0.691 41.485 40.800 -0.010 0.000 0.993 1286 D HN 0.035 nan 8.370 nan 0.000 0.497 1287 V N 1.640 121.489 119.914 -0.108 0.000 2.407 1287 V HA 0.206 4.326 4.120 -0.000 0.000 0.291 1287 V C 0.136 176.154 176.094 -0.128 0.000 1.018 1287 V CA -1.138 61.059 62.300 -0.172 0.000 0.842 1287 V CB 1.710 33.294 31.823 -0.397 0.000 0.996 1287 V HN -0.008 nan 8.190 nan 0.000 0.426 1288 N N 2.196 120.846 118.700 -0.084 0.000 2.441 1288 N HA 0.034 4.774 4.740 -0.000 0.000 0.251 1288 N C 1.529 176.979 175.510 -0.101 0.000 1.242 1288 N CA 0.478 53.491 53.050 -0.061 0.000 0.898 1288 N CB 0.979 39.456 38.487 -0.015 0.000 1.100 1288 N HN 0.771 nan 8.380 nan 0.000 0.443 1289 T N 0.768 115.244 114.554 -0.131 0.000 2.624 1289 T HA -0.231 4.119 4.350 -0.000 0.000 0.266 1289 T C 1.174 175.677 174.700 -0.328 0.000 1.050 1289 T CA 1.774 63.715 62.100 -0.266 0.000 1.163 1289 T CB -0.280 68.365 68.868 -0.372 0.000 0.861 1289 T HN 0.451 nan 8.240 nan 0.000 0.443 1290 F N 0.674 120.588 119.950 -0.059 0.000 2.776 1290 F HA 0.298 4.825 4.527 -0.000 0.000 0.300 1290 F C 1.788 177.548 175.800 -0.067 0.000 1.116 1290 F CA -0.222 57.741 58.000 -0.062 0.000 1.375 1290 F CB 0.158 39.126 39.000 -0.053 0.000 1.109 1290 F HN 0.176 nan 8.300 nan 0.000 0.585 1291 D N -0.187 120.255 120.400 0.070 0.000 2.349 1291 D HA -0.036 4.604 4.640 -0.000 0.000 0.224 1291 D C 2.275 178.563 176.300 -0.021 0.000 1.029 1291 D CA 0.414 54.430 54.000 0.027 0.000 0.879 1291 D CB 0.025 40.831 40.800 0.009 0.000 0.906 1291 D HN 0.223 nan 8.370 nan 0.000 0.528 1292 I N 0.599 121.109 120.570 -0.101 0.000 2.353 1292 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 1292 I C 1.918 177.972 176.117 -0.104 0.000 1.119 1292 I CA 1.381 62.551 61.300 -0.217 0.000 1.417 1292 I CB -0.295 37.473 38.000 -0.388 0.000 1.078 1292 I HN -0.155 nan 8.210 nan 0.000 0.421 1293 T N -0.179 114.347 114.554 -0.048 0.000 2.708 1293 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 1293 T C 2.042 176.738 174.700 -0.007 0.000 1.037 1293 T CA 1.858 63.938 62.100 -0.033 0.000 1.146 1293 T CB -0.465 68.403 68.868 -0.001 0.000 0.865 1293 T HN 0.181 nan 8.240 nan 0.000 0.435 1294 V N 0.559 120.483 119.914 0.015 0.000 2.343 1294 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 1294 V C 2.016 178.128 176.094 0.029 0.000 1.051 1294 V CA 1.716 64.027 62.300 0.019 0.000 1.036 1294 V CB -0.750 31.089 31.823 0.026 0.000 0.654 1294 V HN 0.518 nan 8.190 nan 0.000 0.451 1295 Y N 0.513 120.764 120.300 -0.082 0.000 2.128 1295 Y HA -0.259 4.291 4.550 -0.000 0.000 0.284 1295 Y C 2.205 178.064 175.900 -0.068 0.000 1.154 1295 Y CA 1.894 59.943 58.100 -0.085 0.000 1.149 1295 Y CB -0.216 38.158 38.460 -0.143 0.000 0.976 1295 Y HN 0.155 nan 8.280 nan 0.000 0.505 1296 L N -1.058 120.180 121.223 0.026 0.000 2.109 1296 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 1296 L C 2.230 179.083 176.870 -0.029 0.000 1.086 1296 L CA 0.509 55.350 54.840 0.000 0.000 0.760 1296 L CB -0.549 41.554 42.059 0.074 0.000 0.910 1296 L HN 0.259 nan 8.230 nan 0.000 0.437 1297 L N -0.177 121.027 121.223 -0.030 0.000 2.201 1297 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 1297 L C 2.297 179.137 176.870 -0.049 0.000 1.105 1297 L CA 1.616 56.440 54.840 -0.027 0.000 0.775 1297 L CB -0.598 41.448 42.059 -0.021 0.000 0.913 1297 L HN 0.279 nan 8.230 nan 0.000 0.440 1298 Q N -0.647 119.100 119.800 -0.088 0.000 2.482 1298 Q HA 0.156 4.496 4.340 -0.000 0.000 0.209 1298 Q C 0.995 176.920 176.000 -0.125 0.000 0.961 1298 Q CA 0.565 56.304 55.803 -0.107 0.000 0.945 1298 Q CB -0.001 28.657 28.738 -0.133 0.000 1.012 1298 Q HN 0.570 nan 8.270 nan 0.000 0.515 1299 G N 1.286 110.013 108.800 -0.122 0.000 2.203 1299 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.231 1299 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.231 1299 G C -0.384 174.427 174.900 -0.148 0.000 1.058 1299 G CA -0.281 44.759 45.100 -0.101 0.000 0.781 1299 G HN 0.186 nan 8.290 nan 0.000 0.496 1300 R N -0.702 119.637 120.500 -0.267 0.000 2.778 1300 R HA 0.900 5.240 4.340 -0.000 0.000 0.277 1300 R C 0.153 176.333 176.300 -0.200 0.000 0.977 1300 R CA -0.941 54.933 56.100 -0.376 0.000 0.950 1300 R CB 1.416 31.131 30.300 -0.976 0.000 1.165 1300 R HN 0.168 nan 8.270 nan 0.000 0.474 1301 R N 0.815 121.305 120.500 -0.016 0.000 2.795 1301 R HA 0.379 4.719 4.340 -0.000 0.000 0.268 1301 R C -0.836 175.491 176.300 0.046 0.000 1.041 1301 R CA -1.112 55.005 56.100 0.029 0.000 0.927 1301 R CB 0.775 31.110 30.300 0.058 0.000 1.235 1301 R HN 0.417 nan 8.270 nan 0.000 0.463 1302 L N 2.224 123.252 121.223 -0.324 0.000 2.490 1302 L HA 0.138 4.478 4.340 -0.000 0.000 0.274 1302 L C 0.549 177.508 176.870 0.148 0.000 1.201 1302 L CA 0.112 54.693 54.840 -0.432 0.000 0.869 1302 L CB 0.030 41.377 42.059 -1.187 0.000 1.123 1302 L HN 0.243 nan 8.230 nan 0.000 0.484 1303 L N 2.984 124.313 121.223 0.177 0.000 2.452 1303 L HA 0.123 4.463 4.340 -0.000 0.000 0.267 1303 L C 0.592 177.607 176.870 0.241 0.000 1.188 1303 L CA -0.144 54.829 54.840 0.223 0.000 0.821 1303 L CB 0.355 42.491 42.059 0.128 0.000 1.102 1303 L HN 0.627 nan 8.230 nan 0.000 0.470 1304 Q N 2.720 122.348 119.800 -0.286 0.000 2.289 1304 Q HA 0.171 4.511 4.340 -0.000 0.000 0.273 1304 Q C -2.234 173.632 176.000 -0.222 0.000 1.029 1304 Q CA -1.429 53.996 55.803 -0.629 0.000 0.896 1304 Q CB 0.863 28.927 28.738 -1.123 0.000 1.182 1304 Q HN 0.267 nan 8.270 nan 0.000 0.385 1305 P HA -0.061 nan 4.420 nan 0.000 0.269 1305 P C 0.012 177.164 177.300 -0.247 0.000 1.209 1305 P CA 0.015 62.964 63.100 -0.251 0.000 0.776 1305 P CB 0.676 32.147 31.700 -0.381 0.000 0.876 1306 E N 1.182 121.197 120.200 -0.309 0.000 2.086 1306 E HA -0.253 4.097 4.350 -0.000 0.000 0.200 1306 E C 0.176 176.434 176.600 -0.569 0.000 1.012 1306 E CA 1.638 57.732 56.400 -0.509 0.000 0.812 1306 E CB -0.137 29.129 29.700 -0.724 0.000 0.743 1306 E HN 0.505 nan 8.360 nan 0.000 0.453 1307 Y N -1.087 119.164 120.300 -0.083 0.000 2.658 1307 Y HA 0.203 4.753 4.550 -0.000 0.000 0.276 1307 Y C 0.069 175.947 175.900 -0.037 0.000 1.167 1307 Y CA -0.770 57.302 58.100 -0.047 0.000 1.230 1307 Y CB 0.192 38.625 38.460 -0.045 0.000 1.144 1307 Y HN 0.033 nan 8.280 nan 0.000 0.529 1308 C N 5.384 124.695 119.300 0.020 0.000 2.482 1308 C HA 0.376 4.836 4.460 -0.000 0.000 0.378 1308 C C -1.894 173.142 174.990 0.077 0.000 1.284 1308 C CA -2.205 56.831 59.018 0.030 0.000 1.826 1308 C CB -0.455 27.278 27.740 -0.011 0.000 2.473 1308 C HN 0.241 nan 8.230 nan 0.000 0.562 1309 P HA 0.139 nan 4.420 nan 0.000 0.268 1309 P C 0.281 177.666 177.300 0.142 0.000 1.205 1309 P CA 0.351 63.562 63.100 0.185 0.000 0.771 1309 P CB 0.711 32.617 31.700 0.344 0.000 0.858 1310 D N 3.465 123.931 120.400 0.111 0.000 2.116 1310 D HA -0.139 4.501 4.640 -0.000 0.000 0.193 1310 D C -0.592 175.791 176.300 0.138 0.000 0.998 1310 D CA 1.872 55.945 54.000 0.121 0.000 0.836 1310 D CB -1.891 38.958 40.800 0.081 0.000 0.951 1310 D HN 0.447 nan 8.370 nan 0.000 0.449 1311 P HA -0.090 nan 4.420 nan 0.000 0.220 1311 P C 1.780 179.128 177.300 0.080 0.000 1.148 1311 P CA 0.643 63.794 63.100 0.085 0.000 0.803 1311 P CB 0.095 31.845 31.700 0.083 0.000 0.782 1312 L N -1.537 119.752 121.223 0.110 0.000 2.156 1312 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 1312 L C 2.567 179.481 176.870 0.073 0.000 1.095 1312 L CA 1.458 56.347 54.840 0.083 0.000 0.770 1312 L CB -1.479 40.635 42.059 0.091 0.000 0.914 1312 L HN -0.172 nan 8.230 nan 0.000 0.439 1313 Y N 0.656 120.946 120.300 -0.017 0.000 2.242 1313 Y HA -0.199 4.351 4.550 -0.000 0.000 0.291 1313 Y C 2.331 178.175 175.900 -0.094 0.000 1.137 1313 Y CA 1.866 59.943 58.100 -0.037 0.000 1.181 1313 Y CB -0.130 38.339 38.460 0.015 0.000 0.989 1313 Y HN 0.361 nan 8.280 nan 0.000 0.527 1314 E N -0.894 119.260 120.200 -0.076 0.000 2.118 1314 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 1314 E C 2.249 178.714 176.600 -0.225 0.000 0.992 1314 E CA 1.566 57.868 56.400 -0.163 0.000 0.804 1314 E CB -0.247 29.425 29.700 -0.047 0.000 0.741 1314 E HN 0.311 nan 8.360 nan 0.000 0.458 1315 V N 1.253 121.066 119.914 -0.170 0.000 2.261 1315 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 1315 V C 2.301 178.176 176.094 -0.366 0.000 1.047 1315 V CA 1.833 64.026 62.300 -0.178 0.000 1.015 1315 V CB -0.446 31.336 31.823 -0.068 0.000 0.642 1315 V HN 0.311 nan 8.190 nan 0.000 0.446 1316 M N -0.662 118.634 119.600 -0.507 0.000 2.110 1316 M HA -0.257 4.223 4.480 -0.000 0.000 0.257 1316 M C 2.238 177.636 176.300 -1.503 0.000 1.071 1316 M CA 2.130 56.812 55.300 -1.030 0.000 1.096 1316 M CB -0.689 31.345 32.600 -0.943 0.000 1.300 1316 M HN 0.257 nan 8.290 nan 0.000 0.411 1317 L N -0.242 120.340 121.223 -1.069 0.000 2.042 1317 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 1317 L C 2.451 179.033 176.870 -0.481 0.000 1.076 1317 L CA 1.439 55.845 54.840 -0.723 0.000 0.749 1317 L CB -0.682 41.055 42.059 -0.536 0.000 0.893 1317 L HN 0.303 nan 8.230 nan 0.000 0.432 1318 K N -0.665 119.501 120.400 -0.389 0.000 2.113 1318 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 1318 K C 2.129 178.579 176.600 -0.250 0.000 1.047 1318 K CA 1.694 57.850 56.287 -0.218 0.000 0.928 1318 K CB -0.388 32.011 32.500 -0.169 0.000 0.716 1318 K HN 0.367 nan 8.250 nan 0.000 0.446 1319 C N -0.340 118.670 119.300 -0.482 0.000 2.432 1319 C HA -0.077 4.383 4.460 -0.000 0.000 0.280 1319 C C 1.272 176.034 174.990 -0.380 0.000 1.353 1319 C CA 0.070 58.827 59.018 -0.435 0.000 1.766 1319 C CB -0.738 26.673 27.740 -0.549 0.000 1.924 1319 C HN 0.573 nan 8.230 nan 0.000 0.509 1320 W N 0.103 121.101 121.300 -0.503 0.000 3.194 1320 W HA 0.290 4.950 4.660 -0.000 0.000 0.408 1320 W C 0.872 177.194 176.519 -0.329 0.000 1.072 1320 W CA -0.828 55.939 57.345 -0.963 0.000 1.953 1320 W CB -1.636 27.038 29.460 -1.310 0.000 1.091 1320 W HN 0.414 nan 8.180 nan 0.000 0.699 1321 H N 4.192 123.260 119.070 -0.003 0.000 3.034 1321 H HA -0.015 4.541 4.556 -0.000 0.000 0.324 1321 H C -1.114 174.338 175.328 0.206 0.000 1.015 1321 H CA -0.449 55.640 56.048 0.068 0.000 1.429 1321 H CB 1.468 31.242 29.762 0.020 0.000 1.429 1321 H HN -0.098 nan 8.280 nan 0.000 0.585 1322 P HA -0.070 nan 4.420 nan 0.000 0.226 1322 P C -0.093 177.401 177.300 0.323 0.000 1.153 1322 P CA 1.008 64.300 63.100 0.319 0.000 0.777 1322 P CB 0.447 32.238 31.700 0.151 0.000 0.794 1323 K N 0.172 120.860 120.400 0.480 0.000 2.264 1323 K HA 0.414 4.734 4.320 -0.000 0.000 0.277 1323 K C 1.275 177.937 176.600 0.104 0.000 1.067 1323 K CA -0.326 56.088 56.287 0.212 0.000 0.900 1323 K CB 0.972 33.537 32.500 0.109 0.000 1.124 1323 K HN -0.165 nan 8.250 nan 0.000 0.469 1324 A N 3.251 126.127 122.820 0.093 0.000 1.948 1324 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 1324 A C 1.905 179.490 177.584 0.002 0.000 1.177 1324 A CA 1.833 53.914 52.037 0.074 0.000 0.636 1324 A CB -0.226 18.809 19.000 0.057 0.000 0.815 1324 A HN 0.787 nan 8.150 nan 0.000 0.449 1325 E N -1.098 119.081 120.200 -0.036 0.000 2.274 1325 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 1325 E C 1.653 178.176 176.600 -0.128 0.000 0.996 1325 E CA 0.816 57.177 56.400 -0.065 0.000 0.840 1325 E CB -0.112 29.558 29.700 -0.050 0.000 0.772 1325 E HN 0.458 nan 8.360 nan 0.000 0.491 1326 M N 0.303 119.757 119.600 -0.243 0.000 2.495 1326 M HA 0.146 4.626 4.480 -0.000 0.000 0.237 1326 M C 0.153 176.277 176.300 -0.294 0.000 1.131 1326 M CA 0.277 55.344 55.300 -0.388 0.000 1.032 1326 M CB -0.239 31.822 32.600 -0.898 0.000 1.513 1326 M HN -0.116 nan 8.290 nan 0.000 0.488 1327 R N 1.673 122.075 120.500 -0.163 0.000 2.594 1327 R HA 0.183 4.523 4.340 -0.000 0.000 0.272 1327 R C -2.088 174.138 176.300 -0.122 0.000 1.074 1327 R CA -1.272 54.772 56.100 -0.092 0.000 1.105 1327 R CB -0.237 30.049 30.300 -0.023 0.000 1.008 1327 R HN 0.040 nan 8.270 nan 0.000 0.472 1328 P HA -0.010 nan 4.420 nan 0.000 0.272 1328 P C -0.668 176.504 177.300 -0.214 0.000 1.230 1328 P CA -0.294 62.716 63.100 -0.149 0.000 0.788 1328 P CB 0.825 32.442 31.700 -0.138 0.000 0.949 1329 S N 0.066 115.660 115.700 -0.175 0.000 2.652 1329 S HA 0.286 4.755 4.470 -0.000 0.000 0.270 1329 S C 0.987 175.445 174.600 -0.236 0.000 1.243 1329 S CA -0.421 57.663 58.200 -0.194 0.000 0.999 1329 S CB 0.043 63.198 63.200 -0.074 0.000 0.973 1329 S HN 0.213 nan 8.310 nan 0.000 0.544 1330 F N 0.853 120.732 119.950 -0.119 0.000 2.269 1330 F HA -0.026 4.501 4.527 -0.000 0.000 0.301 1330 F C 2.979 178.693 175.800 -0.143 0.000 1.082 1330 F CA 1.374 59.258 58.000 -0.194 0.000 1.360 1330 F CB -0.729 38.139 39.000 -0.220 0.000 1.041 1330 F HN 0.709 nan 8.300 nan 0.000 0.512 1331 S N -0.359 115.380 115.700 0.066 0.000 2.368 1331 S HA -0.237 4.233 4.470 -0.000 0.000 0.225 1331 S C 2.171 176.775 174.600 0.006 0.000 1.030 1331 S CA 1.585 59.802 58.200 0.028 0.000 0.999 1331 S CB -0.357 62.854 63.200 0.018 0.000 0.844 1331 S HN 0.556 nan 8.310 nan 0.000 0.459 1332 E N 0.128 120.316 120.200 -0.020 0.000 2.152 1332 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 1332 E C 2.061 178.649 176.600 -0.020 0.000 0.983 1332 E CA 0.805 57.190 56.400 -0.025 0.000 0.818 1332 E CB -0.150 29.523 29.700 -0.045 0.000 0.758 1332 E HN 0.548 nan 8.360 nan 0.000 0.467 1333 L N 0.324 121.522 121.223 -0.042 0.000 2.093 1333 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 1333 L C 2.520 179.413 176.870 0.037 0.000 1.085 1333 L CA 0.608 55.441 54.840 -0.011 0.000 0.755 1333 L CB -0.283 41.716 42.059 -0.099 0.000 0.904 1333 L HN 0.077 nan 8.230 nan 0.000 0.435 1334 V N -1.106 118.823 119.914 0.025 0.000 2.295 1334 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 1334 V C 2.680 178.800 176.094 0.043 0.000 1.049 1334 V CA 2.073 64.395 62.300 0.036 0.000 1.024 1334 V CB -0.376 31.463 31.823 0.027 0.000 0.648 1334 V HN 0.432 nan 8.190 nan 0.000 0.447 1335 S N -0.614 115.107 115.700 0.035 0.000 2.348 1335 S HA -0.211 4.259 4.470 -0.000 0.000 0.221 1335 S C 2.193 176.824 174.600 0.051 0.000 1.033 1335 S CA 1.792 60.015 58.200 0.038 0.000 1.010 1335 S CB -0.190 63.025 63.200 0.025 0.000 0.891 1335 S HN 0.540 nan 8.310 nan 0.000 0.442 1336 R N 0.081 120.610 120.500 0.048 0.000 2.092 1336 R HA 0.138 4.478 4.340 -0.000 0.000 0.231 1336 R C 2.255 178.607 176.300 0.087 0.000 1.119 1336 R CA 1.484 57.618 56.100 0.057 0.000 0.970 1336 R CB -0.297 30.026 30.300 0.038 0.000 0.864 1336 R HN 0.455 nan 8.270 nan 0.000 0.440 1337 I N 0.506 121.137 120.570 0.102 0.000 2.500 1337 I HA -0.222 3.948 4.170 -0.000 0.000 0.252 1337 I C 2.328 178.535 176.117 0.151 0.000 1.142 1337 I CA 1.015 62.396 61.300 0.134 0.000 1.451 1337 I CB -0.239 37.858 38.000 0.163 0.000 1.093 1337 I HN 0.217 nan 8.210 nan 0.000 0.430 1338 S N 1.678 117.448 115.700 0.117 0.000 2.359 1338 S HA -0.237 4.233 4.470 -0.000 0.000 0.224 1338 S C 2.281 177.004 174.600 0.205 0.000 1.035 1338 S CA 1.084 59.367 58.200 0.139 0.000 1.018 1338 S CB -0.767 62.484 63.200 0.085 0.000 0.876 1338 S HN 0.414 nan 8.310 nan 0.000 0.448 1339 A N 2.036 124.943 122.820 0.146 0.000 1.883 1339 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 1339 A C 2.274 179.953 177.584 0.159 0.000 1.186 1339 A CA 1.602 53.717 52.037 0.130 0.000 0.624 1339 A CB -0.878 18.176 19.000 0.089 0.000 0.822 1339 A HN 0.587 nan 8.150 nan 0.000 0.444 1340 I N -1.947 118.732 120.570 0.182 0.000 2.142 1340 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 1340 I C 2.356 178.662 176.117 0.316 0.000 1.078 1340 I CA 1.658 63.096 61.300 0.230 0.000 1.343 1340 I CB -0.431 37.689 38.000 0.200 0.000 1.046 1340 I HN 0.454 nan 8.210 nan 0.000 0.405 1341 F N 2.241 122.257 119.950 0.109 0.000 2.115 1341 F HA -0.346 4.181 4.527 -0.000 0.000 0.300 1341 F C 2.791 178.676 175.800 0.143 0.000 1.092 1341 F CA 1.957 59.996 58.000 0.064 0.000 1.245 1341 F CB -0.428 38.577 39.000 0.008 0.000 0.995 1341 F HN 0.150 nan 8.300 nan 0.000 0.481 1342 S N -1.198 114.590 115.700 0.148 0.000 2.474 1342 S HA -0.170 4.300 4.470 -0.000 0.000 0.235 1342 S C 1.758 176.348 174.600 -0.017 0.000 0.997 1342 S CA 1.185 59.400 58.200 0.024 0.000 0.949 1342 S CB -1.455 61.813 63.200 0.114 0.000 0.766 1342 S HN 0.603 nan 8.310 nan 0.000 0.517 1343 T N -1.937 112.650 114.554 0.055 0.000 3.107 1343 T HA 0.363 4.713 4.350 -0.000 0.000 0.249 1343 T C 0.046 174.636 174.700 -0.184 0.000 1.096 1343 T CA -0.500 61.572 62.100 -0.047 0.000 1.012 1343 T CB -0.556 68.274 68.868 -0.063 0.000 0.977 1343 T HN 0.244 nan 8.240 nan 0.000 0.527 1344 F N 0.520 120.357 119.950 -0.188 0.000 2.432 1344 F HA 0.533 5.060 4.527 -0.000 0.000 0.329 1344 F C 1.315 176.985 175.800 -0.217 0.000 1.076 1344 F CA -1.843 56.042 58.000 -0.192 0.000 1.018 1344 F CB 0.867 39.738 39.000 -0.216 0.000 1.201 1344 F HN -0.181 nan 8.300 nan 0.000 0.489 1345 I N 0.626 121.194 120.570 -0.003 0.000 2.368 1345 I HA 0.299 4.469 4.170 -0.000 0.000 0.238 1345 I C 1.182 177.267 176.117 -0.053 0.000 1.076 1345 I CA 1.285 62.555 61.300 -0.049 0.000 1.397 1345 I CB -1.305 36.665 38.000 -0.051 0.000 1.141 1345 I HN 0.693 nan 8.210 nan 0.000 0.430 1346 G N 0.000 108.786 108.800 -0.023 0.000 5.446 1346 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1346 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1346 G CA 0.000 45.070 45.100 -0.049 0.000 0.502 1346 G HN 0.000 nan 8.290 nan 0.000 0.925