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 2wkm_1_A DATA FIRST_RESID 1059 DATA SEQUENCE NPELVQAVQH VVIGPSSLIV HFNEVIGRGH FGCVYHGTLL DNDGKKIHCA DATA SEQUENCE VKSLNRITDI GEVSQFLTEG IIMKDFSHPN VLSLLGICLR SEGSPLVVLP DATA SEQUENCE YMKHGDLRNF IRNETHNPTV KDLIGFGLQV AKGMKYLASK KFVHRDLAAR DATA SEQUENCE NCMLDEKFTV KVADFGLARD MYDKEYYSVH NKTGAKLPVK WMALESLQTQ DATA SEQUENCE KFTTKSDVWS FGVLLWELMT RGAPPYPDVN TFDITVYLLQ GRRLLQPEYC DATA SEQUENCE PDPLYEVMLK CWHPKAEMRP SFSELVSRIS AIFSTFI 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 1059 N HA 0.000 nan 4.740 nan 0.000 0.220 1059 N C 0.000 175.504 175.510 -0.009 0.000 1.280 1059 N CA 0.000 53.046 53.050 -0.006 0.000 0.885 1059 N CB 0.000 38.484 38.487 -0.005 0.000 1.341 1060 P HA -0.039 nan 4.420 nan 0.000 0.213 1060 P C 0.846 178.139 177.300 -0.013 0.000 1.170 1060 P CA 1.197 64.290 63.100 -0.012 0.000 0.889 1060 P CB 0.367 32.061 31.700 -0.010 0.000 0.782 1061 E N 0.013 120.208 120.200 -0.008 0.000 2.114 1061 E HA -0.195 4.121 4.350 -0.056 0.000 0.199 1061 E C 2.151 178.748 176.600 -0.005 0.000 1.008 1061 E CA 0.894 57.291 56.400 -0.004 0.000 0.810 1061 E CB -1.185 28.515 29.700 0.000 0.000 0.739 1061 E HN 0.222 nan 8.360 nan 0.000 0.456 1062 L N 0.511 121.728 121.223 -0.010 0.000 2.056 1062 L HA -0.110 4.196 4.340 -0.056 0.000 0.207 1062 L C 2.310 179.169 176.870 -0.018 0.000 1.078 1062 L CA 1.110 55.942 54.840 -0.015 0.000 0.749 1062 L CB -0.233 41.815 42.059 -0.018 0.000 0.901 1062 L HN -0.092 nan 8.230 nan 0.000 0.433 1063 V N -0.230 119.671 119.914 -0.021 0.000 2.626 1063 V HA -0.286 3.800 4.120 -0.056 0.000 0.252 1063 V C 2.488 178.555 176.094 -0.045 0.000 1.067 1063 V CA 1.757 64.040 62.300 -0.029 0.000 1.081 1063 V CB -0.811 30.996 31.823 -0.027 0.000 0.686 1063 V HN 0.642 nan 8.190 nan 0.000 0.468 1064 Q N 0.583 120.357 119.800 -0.044 0.000 2.002 1064 Q HA -0.253 4.053 4.340 -0.056 0.000 0.204 1064 Q C 2.298 178.242 176.000 -0.093 0.000 0.988 1064 Q CA 2.410 58.168 55.803 -0.075 0.000 0.843 1064 Q CB -0.301 28.414 28.738 -0.039 0.000 0.908 1064 Q HN 0.591 nan 8.270 nan 0.000 0.420 1065 A N -0.001 122.829 122.820 0.015 0.000 1.898 1065 A HA -0.111 4.175 4.320 -0.056 0.000 0.216 1065 A C 2.228 179.871 177.584 0.098 0.000 1.181 1065 A CA 1.486 53.618 52.037 0.159 0.000 0.620 1065 A CB -0.719 18.339 19.000 0.098 0.000 0.819 1065 A HN 0.332 nan 8.150 nan 0.000 0.442 1066 V N 0.937 120.859 119.914 0.013 0.000 2.392 1066 V HA -0.310 3.776 4.120 -0.056 0.000 0.249 1066 V C 2.767 178.855 176.094 -0.011 0.000 1.059 1066 V CA 2.141 64.441 62.300 -0.002 0.000 1.051 1066 V CB -0.860 30.952 31.823 -0.018 0.000 0.658 1066 V HN 0.787 nan 8.190 nan 0.000 0.455 1067 Q N 0.016 119.779 119.800 -0.061 0.000 2.152 1067 Q HA -0.300 4.006 4.340 -0.056 0.000 0.206 1067 Q C 2.152 178.096 176.000 -0.093 0.000 0.985 1067 Q CA 2.052 57.794 55.803 -0.102 0.000 0.863 1067 Q CB -0.476 28.160 28.738 -0.171 0.000 0.904 1067 Q HN 0.714 nan 8.270 nan 0.000 0.422 1068 H N 0.013 119.068 119.070 -0.024 0.000 2.390 1068 H HA -0.110 4.412 4.556 -0.057 0.000 0.298 1068 H C 1.793 177.107 175.328 -0.024 0.000 1.106 1068 H CA 1.988 58.022 56.048 -0.024 0.000 1.297 1068 H CB 0.107 29.851 29.762 -0.030 0.000 1.375 1068 H HN 0.359 nan 8.280 nan 0.000 0.509 1069 V N -1.422 118.547 119.914 0.092 0.000 3.085 1069 V HA 0.289 4.375 4.120 -0.056 0.000 0.345 1069 V C 0.749 176.853 176.094 0.018 0.000 1.397 1069 V CA -0.428 61.897 62.300 0.042 0.000 1.165 1069 V CB -0.035 31.799 31.823 0.019 0.000 1.153 1069 V HN -0.017 nan 8.190 nan 0.000 0.495 1070 V N 2.073 121.994 119.914 0.011 0.000 2.715 1070 V HA 0.440 4.527 4.120 -0.056 0.000 0.299 1070 V C -0.116 175.980 176.094 0.004 0.000 1.054 1070 V CA 0.274 62.574 62.300 0.001 0.000 1.077 1070 V CB 1.210 33.027 31.823 -0.010 0.000 0.972 1070 V HN 0.498 nan 8.190 nan 0.000 0.484 1071 I N 5.951 126.524 120.570 0.004 0.000 2.447 1071 I HA 0.451 4.587 4.170 -0.056 0.000 0.287 1071 I C 0.720 176.839 176.117 0.003 0.000 1.023 1071 I CA -0.520 60.783 61.300 0.005 0.000 1.083 1071 I CB 1.698 39.703 38.000 0.008 0.000 1.245 1071 I HN 0.760 nan 8.210 nan 0.000 0.434 1072 G N 6.118 114.919 108.800 0.001 0.000 2.403 1072 G HA2 0.253 4.179 3.960 -0.056 0.000 0.259 1072 G HA3 0.253 4.179 3.960 -0.056 0.000 0.259 1072 G C -1.921 172.978 174.900 -0.001 0.000 1.244 1072 G CA -0.962 44.137 45.100 -0.001 0.000 0.849 1072 G HN 0.399 nan 8.290 nan 0.000 0.532 1073 P HA -0.199 nan 4.420 nan 0.000 0.217 1073 P C 2.186 179.482 177.300 -0.007 0.000 1.151 1073 P CA 1.946 65.046 63.100 0.000 0.000 0.849 1073 P CB 0.191 31.893 31.700 0.003 0.000 0.787 1074 S N -2.230 113.466 115.700 -0.008 0.000 2.507 1074 S HA -0.034 4.402 4.470 -0.056 0.000 0.235 1074 S C 1.848 176.441 174.600 -0.012 0.000 0.988 1074 S CA 1.079 59.273 58.200 -0.011 0.000 0.944 1074 S CB -1.136 62.058 63.200 -0.010 0.000 0.762 1074 S HN 0.027 nan 8.310 nan 0.000 0.526 1075 S N 0.623 116.317 115.700 -0.009 0.000 2.470 1075 S HA 0.307 4.743 4.470 -0.056 0.000 0.225 1075 S C 0.138 174.731 174.600 -0.012 0.000 1.006 1075 S CA -0.010 58.185 58.200 -0.008 0.000 0.934 1075 S CB -0.214 62.985 63.200 -0.003 0.000 0.778 1075 S HN 0.505 nan 8.310 nan 0.000 0.517 1076 L N 1.663 122.876 121.223 -0.017 0.000 2.333 1076 L HA 0.567 4.873 4.340 -0.056 0.000 0.280 1076 L C -1.236 175.600 176.870 -0.056 0.000 1.004 1076 L CA -0.382 54.442 54.840 -0.026 0.000 0.820 1076 L CB 1.134 43.184 42.059 -0.015 0.000 1.247 1076 L HN 0.017 nan 8.230 nan 0.000 0.416 1077 I N 5.638 126.158 120.570 -0.084 0.000 2.378 1077 I HA 0.443 4.579 4.170 -0.056 0.000 0.291 1077 I C -0.752 175.208 176.117 -0.262 0.000 0.992 1077 I CA -0.886 60.311 61.300 -0.172 0.000 1.154 1077 I CB 1.894 39.785 38.000 -0.183 0.000 1.315 1077 I HN 0.238 nan 8.210 nan 0.000 0.448 1078 V N 5.508 125.182 119.914 -0.399 0.000 2.483 1078 V HA 0.292 4.378 4.120 -0.056 0.000 0.295 1078 V C -0.070 175.558 176.094 -0.777 0.000 1.035 1078 V CA -0.674 61.269 62.300 -0.594 0.000 0.896 1078 V CB 1.461 32.696 31.823 -0.981 0.000 0.986 1078 V HN 0.576 nan 8.190 nan 0.000 0.447 1079 H N 5.362 124.208 119.070 -0.374 0.000 2.741 1079 H HA 0.246 4.775 4.556 -0.045 0.000 0.261 1079 H C 0.137 175.332 175.328 -0.223 0.000 1.365 1079 H CA -0.203 55.712 56.048 -0.221 0.000 1.266 1079 H CB 0.528 30.242 29.762 -0.080 0.000 1.485 1079 H HN 0.614 nan 8.280 nan 0.000 0.529 1080 F N 1.603 121.466 119.950 -0.145 0.000 2.546 1080 F HA -0.161 4.335 4.527 -0.052 0.000 0.298 1080 F C 2.252 178.076 175.800 0.040 0.000 1.120 1080 F CA 0.414 58.204 58.000 -0.350 0.000 1.456 1080 F CB 0.022 38.767 39.000 -0.424 0.000 1.088 1080 F HN 0.492 nan 8.300 nan 0.000 0.572 1081 N N 0.707 119.542 118.700 0.225 0.000 2.467 1081 N HA -0.114 4.592 4.740 -0.056 0.000 0.184 1081 N C -0.210 175.422 175.510 0.203 0.000 1.106 1081 N CA 0.532 53.698 53.050 0.194 0.000 0.892 1081 N CB -0.388 38.175 38.487 0.127 0.000 0.969 1081 N HN 0.330 nan 8.380 nan 0.000 0.454 1082 E N 0.979 121.342 120.200 0.271 0.000 2.546 1082 E HA 0.266 4.583 4.350 -0.056 0.000 0.227 1082 E C -1.041 175.805 176.600 0.411 0.000 1.009 1082 E CA -0.443 56.113 56.400 0.260 0.000 0.813 1082 E CB 1.538 31.308 29.700 0.117 0.000 1.269 1082 E HN -0.026 nan 8.360 nan 0.000 0.432 1083 V N 4.545 124.637 119.914 0.297 0.000 2.432 1083 V HA 0.123 4.209 4.120 -0.056 0.000 0.271 1083 V C 1.237 177.405 176.094 0.123 0.000 1.046 1083 V CA -0.024 62.369 62.300 0.156 0.000 0.945 1083 V CB 0.609 32.482 31.823 0.084 0.000 0.992 1083 V HN 0.624 nan 8.190 nan 0.000 0.471 1084 I N 1.425 122.025 120.570 0.051 0.000 4.057 1084 I HA 0.652 4.788 4.170 -0.056 0.000 0.334 1084 I C 0.741 176.839 176.117 -0.032 0.000 1.308 1084 I CA 0.178 61.492 61.300 0.024 0.000 1.125 1084 I CB 0.573 38.547 38.000 -0.042 0.000 1.034 1084 I HN 0.654 nan 8.210 nan 0.000 0.401 1085 G N 1.702 110.476 108.800 -0.043 0.000 2.473 1085 G HA2 0.481 4.407 3.960 -0.056 0.000 0.298 1085 G HA3 0.481 4.407 3.960 -0.056 0.000 0.298 1085 G C -1.518 173.410 174.900 0.047 0.000 1.575 1085 G CA -0.985 44.119 45.100 0.008 0.000 0.846 1085 G HN 0.117 nan 8.290 nan 0.000 0.585 1086 R N 0.388 120.951 120.500 0.104 0.000 2.393 1086 R HA 0.671 4.977 4.340 -0.056 0.000 0.315 1086 R C 0.324 176.636 176.300 0.021 0.000 0.952 1086 R CA -0.527 55.599 56.100 0.045 0.000 0.842 1086 R CB 2.197 32.500 30.300 0.004 0.000 1.163 1086 R HN 0.716 nan 8.270 nan 0.000 0.450 1087 G N -0.475 108.244 108.800 -0.136 0.000 2.735 1087 G HA2 0.084 4.010 3.960 -0.056 0.000 0.301 1087 G HA3 0.084 4.010 3.960 -0.056 0.000 0.301 1087 G C 0.039 174.724 174.900 -0.359 0.000 1.279 1087 G CA -0.465 44.323 45.100 -0.520 0.000 1.019 1087 G HN 0.746 nan 8.290 nan 0.000 0.497 1088 H N -0.753 117.937 119.070 -0.634 0.000 2.457 1088 H HA -0.031 4.491 4.556 -0.057 0.000 0.294 1088 H C 1.383 176.474 175.328 -0.394 0.000 1.064 1088 H CA 1.083 56.814 56.048 -0.529 0.000 1.330 1088 H CB 0.203 29.564 29.762 -0.668 0.000 1.395 1088 H HN 0.341 nan 8.280 nan 0.000 0.541 1089 F N 0.178 119.956 119.950 -0.288 0.000 2.743 1089 F HA 0.259 4.751 4.527 -0.058 0.000 0.297 1089 F C 1.555 177.230 175.800 -0.210 0.000 1.131 1089 F CA 0.844 58.660 58.000 -0.306 0.000 1.426 1089 F CB 0.278 39.056 39.000 -0.371 0.000 1.116 1089 F HN 0.262 nan 8.300 nan 0.000 0.583 1090 G N -1.350 107.434 108.800 -0.027 0.000 2.369 1090 G HA2 0.071 3.998 3.960 -0.056 0.000 0.307 1090 G HA3 0.071 3.998 3.960 -0.056 0.000 0.307 1090 G C -1.293 173.597 174.900 -0.016 0.000 1.327 1090 G CA -1.263 43.838 45.100 0.002 0.000 0.963 1090 G HN 0.010 nan 8.290 nan 0.000 0.590 1091 C N -0.818 118.456 119.300 -0.044 0.000 2.649 1091 C HA 0.621 5.047 4.460 -0.056 0.000 0.377 1091 C C 1.003 175.803 174.990 -0.316 0.000 1.321 1091 C CA -0.280 58.588 59.018 -0.251 0.000 2.368 1091 C CB 0.681 28.096 27.740 -0.541 0.000 2.597 1091 C HN 0.646 nan 8.230 nan 0.000 0.678 1092 V N 1.955 121.659 119.914 -0.349 0.000 2.417 1092 V HA 0.420 4.506 4.120 -0.056 0.000 0.291 1092 V C -0.890 174.991 176.094 -0.354 0.000 1.024 1092 V CA -0.397 61.767 62.300 -0.226 0.000 0.861 1092 V CB 0.834 32.619 31.823 -0.062 0.000 0.985 1092 V HN 0.767 nan 8.190 nan 0.000 0.436 1093 Y N 1.831 122.163 120.300 0.055 0.000 2.509 1093 Y HA 0.505 5.020 4.550 -0.059 0.000 0.341 1093 Y C 0.817 176.755 175.900 0.062 0.000 1.038 1093 Y CA -0.987 57.148 58.100 0.058 0.000 1.089 1093 Y CB 0.992 39.423 38.460 -0.048 0.000 1.241 1093 Y HN 0.539 nan 8.280 nan 0.000 0.468 1094 H N 0.609 119.826 119.070 0.244 0.000 2.972 1094 H HA 0.294 4.819 4.556 -0.052 0.000 0.343 1094 H C 0.163 175.605 175.328 0.190 0.000 1.054 1094 H CA 1.047 57.225 56.048 0.216 0.000 1.412 1094 H CB 0.709 30.562 29.762 0.152 0.000 1.385 1094 H HN 0.910 nan 8.280 nan 0.000 0.600 1095 G N 0.701 109.671 108.800 0.282 0.000 2.695 1095 G HA2 0.428 4.355 3.960 -0.056 0.000 0.290 1095 G HA3 0.428 4.355 3.960 -0.056 0.000 0.290 1095 G C -1.016 173.971 174.900 0.144 0.000 1.410 1095 G CA -0.691 44.518 45.100 0.182 0.000 0.844 1095 G HN 0.610 nan 8.290 nan 0.000 0.478 1096 T N -1.628 112.964 114.554 0.064 0.000 2.848 1096 T HA 0.625 4.941 4.350 -0.056 0.000 0.285 1096 T C -1.026 173.681 174.700 0.012 0.000 0.995 1096 T CA -0.645 61.467 62.100 0.021 0.000 0.970 1096 T CB 1.725 70.583 68.868 -0.017 0.000 0.976 1096 T HN 0.802 nan 8.240 nan 0.000 0.441 1097 L N 3.489 124.725 121.223 0.022 0.000 2.317 1097 L HA 0.686 4.992 4.340 -0.056 0.000 0.281 1097 L C -1.187 175.688 176.870 0.008 0.000 1.024 1097 L CA -1.069 53.779 54.840 0.013 0.000 0.810 1097 L CB 1.298 43.370 42.059 0.022 0.000 1.240 1097 L HN 0.786 nan 8.230 nan 0.000 0.427 1098 L N 4.407 125.631 121.223 0.002 0.000 2.262 1098 L HA 0.351 4.657 4.340 -0.056 0.000 0.288 1098 L C -0.464 176.408 176.870 0.003 0.000 1.035 1098 L CA -0.826 54.014 54.840 0.000 0.000 0.820 1098 L CB 0.979 43.035 42.059 -0.004 0.000 1.204 1098 L HN 0.740 nan 8.230 nan 0.000 0.424 1099 D N 1.484 121.887 120.400 0.005 0.000 2.357 1099 D HA 0.007 4.613 4.640 -0.056 0.000 0.242 1099 D C 0.723 177.025 176.300 0.003 0.000 1.153 1099 D CA -0.478 53.525 54.000 0.005 0.000 0.918 1099 D CB 0.749 41.553 40.800 0.007 0.000 1.181 1099 D HN 0.336 nan 8.370 nan 0.000 0.435 1100 N N 0.832 119.534 118.700 0.004 0.000 2.166 1100 N HA -0.141 4.565 4.740 -0.056 0.000 0.186 1100 N C -0.144 175.368 175.510 0.002 0.000 1.019 1100 N CA 1.066 54.117 53.050 0.003 0.000 0.856 1100 N CB -0.185 38.304 38.487 0.004 0.000 0.993 1100 N HN 0.549 nan 8.380 nan 0.000 0.426 1101 D N -0.614 119.788 120.400 0.003 0.000 2.889 1101 D HA 0.316 4.923 4.640 -0.056 0.000 0.243 1101 D C 1.171 177.473 176.300 0.002 0.000 1.270 1101 D CA 0.050 54.052 54.000 0.003 0.000 0.838 1101 D CB 0.151 40.953 40.800 0.003 0.000 1.040 1101 D HN 0.349 nan 8.370 nan 0.000 0.480 1102 G N 0.656 109.457 108.800 0.002 0.000 2.882 1102 G HA2 -0.218 3.708 3.960 -0.056 0.000 0.198 1102 G HA3 -0.218 3.708 3.960 -0.056 0.000 0.198 1102 G C 0.184 175.084 174.900 0.000 0.000 1.977 1102 G CA -0.313 44.787 45.100 0.001 0.000 1.541 1102 G HN 0.417 nan 8.290 nan 0.000 0.567 1103 K N 1.990 122.392 120.400 0.002 0.000 2.098 1103 K HA 0.624 4.910 4.320 -0.056 0.000 0.261 1103 K C -0.250 176.352 176.600 0.003 0.000 0.987 1103 K CA -0.608 55.680 56.287 0.002 0.000 0.916 1103 K CB 0.968 33.471 32.500 0.005 0.000 1.039 1103 K HN 0.290 nan 8.250 nan 0.000 0.455 1104 K N 2.957 123.357 120.400 -0.001 0.000 2.379 1104 K HA 0.200 4.486 4.320 -0.056 0.000 0.284 1104 K C -0.434 176.172 176.600 0.010 0.000 1.044 1104 K CA 0.021 56.306 56.287 -0.003 0.000 0.974 1104 K CB 0.483 32.972 32.500 -0.018 0.000 0.962 1104 K HN 0.479 nan 8.250 nan 0.000 0.474 1105 I N 2.939 123.521 120.570 0.020 0.000 2.382 1105 I HA 0.109 4.245 4.170 -0.056 0.000 0.285 1105 I C 0.107 176.273 176.117 0.082 0.000 1.007 1105 I CA -0.703 60.624 61.300 0.046 0.000 1.142 1105 I CB 1.085 39.108 38.000 0.038 0.000 1.289 1105 I HN 0.633 nan 8.210 nan 0.000 0.453 1106 H N 6.004 125.049 119.070 -0.042 0.000 2.848 1106 H HA 0.339 4.872 4.556 -0.038 0.000 0.341 1106 H C -0.398 174.907 175.328 -0.038 0.000 1.060 1106 H CA -0.443 55.541 56.048 -0.107 0.000 1.444 1106 H CB 0.809 30.425 29.762 -0.244 0.000 1.446 1106 H HN 0.847 nan 8.280 nan 0.000 0.583 1107 C N 2.657 122.100 119.300 0.239 0.000 3.285 1107 C HA 0.861 5.287 4.460 -0.056 0.000 0.320 1107 C C -0.524 174.540 174.990 0.124 0.000 1.411 1107 C CA -0.793 58.304 59.018 0.132 0.000 1.429 1107 C CB 0.764 28.559 27.740 0.093 0.000 1.812 1107 C HN 0.953 nan 8.230 nan 0.000 0.454 1108 A N 0.757 123.626 122.820 0.082 0.000 2.287 1108 A HA 0.735 5.021 4.320 -0.056 0.000 0.317 1108 A C -0.771 176.845 177.584 0.054 0.000 1.220 1108 A CA -0.385 51.681 52.037 0.048 0.000 0.835 1108 A CB 0.620 19.609 19.000 -0.019 0.000 1.180 1108 A HN 1.325 nan 8.150 nan 0.000 0.500 1109 V N 3.181 123.148 119.914 0.088 0.000 2.347 1109 V HA 0.338 4.424 4.120 -0.056 0.000 0.280 1109 V C 0.043 176.224 176.094 0.144 0.000 1.021 1109 V CA -0.723 61.643 62.300 0.110 0.000 0.847 1109 V CB 1.197 33.084 31.823 0.106 0.000 0.990 1109 V HN 0.851 nan 8.190 nan 0.000 0.444 1110 K N 3.598 124.072 120.400 0.124 0.000 2.248 1110 K HA 0.407 4.694 4.320 -0.056 0.000 0.281 1110 K C -0.008 176.691 176.600 0.165 0.000 1.054 1110 K CA 0.247 56.616 56.287 0.137 0.000 0.903 1110 K CB 1.266 33.855 32.500 0.148 0.000 1.077 1110 K HN 0.657 nan 8.250 nan 0.000 0.474 1111 S N 4.234 120.051 115.700 0.195 0.000 2.562 1111 S HA 0.355 4.791 4.470 -0.056 0.000 0.275 1111 S C 0.372 175.042 174.600 0.116 0.000 1.281 1111 S CA -0.655 57.670 58.200 0.208 0.000 1.045 1111 S CB 0.239 63.644 63.200 0.341 0.000 0.962 1111 S HN 0.663 nan 8.310 nan 0.000 0.503 1112 L N 4.471 125.733 121.223 0.065 0.000 2.965 1112 L HA 0.291 4.597 4.340 -0.056 0.000 0.254 1112 L C 1.017 177.877 176.870 -0.017 0.000 1.220 1112 L CA -0.258 54.568 54.840 -0.023 0.000 1.023 1112 L CB -0.277 41.718 42.059 -0.106 0.000 1.355 1112 L HN 0.521 nan 8.230 nan 0.000 0.545 1113 N N 0.755 119.473 118.700 0.031 0.000 2.364 1113 N HA -0.108 4.599 4.740 -0.056 0.000 0.183 1113 N C 1.830 177.333 175.510 -0.012 0.000 1.022 1113 N CA 0.815 53.875 53.050 0.016 0.000 0.883 1113 N CB 0.006 38.519 38.487 0.043 0.000 0.965 1113 N HN 0.239 nan 8.380 nan 0.000 0.438 1114 R N 0.420 120.907 120.500 -0.021 0.000 2.115 1114 R HA 0.095 4.401 4.340 -0.056 0.000 0.226 1114 R C 0.445 176.702 176.300 -0.070 0.000 1.100 1114 R CA 0.163 56.226 56.100 -0.062 0.000 0.980 1114 R CB -0.282 29.948 30.300 -0.115 0.000 0.875 1114 R HN 0.279 nan 8.270 nan 0.000 0.445 1115 I N 1.254 121.789 120.570 -0.059 0.000 2.587 1115 I HA -0.118 4.018 4.170 -0.056 0.000 0.284 1115 I C 1.860 177.945 176.117 -0.053 0.000 1.134 1115 I CA 0.351 61.611 61.300 -0.067 0.000 1.410 1115 I CB 1.047 38.960 38.000 -0.146 0.000 1.392 1115 I HN 0.047 nan 8.210 nan 0.000 0.545 1116 T N 3.339 117.870 114.554 -0.039 0.000 2.925 1116 T HA -0.075 4.241 4.350 -0.056 0.000 0.245 1116 T C 0.684 175.371 174.700 -0.022 0.000 1.025 1116 T CA 0.347 62.431 62.100 -0.027 0.000 1.149 1116 T CB 0.005 68.861 68.868 -0.020 0.000 0.866 1116 T HN 0.643 nan 8.240 nan 0.000 0.437 1117 D N 1.066 121.457 120.400 -0.016 0.000 2.383 1117 D HA 0.070 4.676 4.640 -0.056 0.000 0.252 1117 D C 1.115 177.405 176.300 -0.017 0.000 1.166 1117 D CA -0.212 53.782 54.000 -0.010 0.000 0.879 1117 D CB 0.602 41.403 40.800 0.002 0.000 1.164 1117 D HN 0.201 nan 8.370 nan 0.000 0.462 1118 I N 3.851 124.413 120.570 -0.013 0.000 2.335 1118 I HA -0.082 4.054 4.170 -0.056 0.000 0.251 1118 I C 1.924 178.036 176.117 -0.007 0.000 1.129 1118 I CA 1.933 63.226 61.300 -0.013 0.000 1.402 1118 I CB -0.406 37.589 38.000 -0.008 0.000 1.069 1118 I HN 0.560 nan 8.210 nan 0.000 0.424 1119 G N -0.529 108.271 108.800 -0.001 0.000 2.422 1119 G HA2 -0.280 3.646 3.960 -0.056 0.000 0.218 1119 G HA3 -0.280 3.646 3.960 -0.056 0.000 0.218 1119 G C 1.592 176.499 174.900 0.011 0.000 1.140 1119 G CA 0.754 45.858 45.100 0.007 0.000 0.775 1119 G HN 0.552 nan 8.290 nan 0.000 0.545 1120 E N -0.150 120.052 120.200 0.004 0.000 2.150 1120 E HA -0.069 4.247 4.350 -0.056 0.000 0.193 1120 E C 2.516 179.104 176.600 -0.020 0.000 0.985 1120 E CA 0.730 57.131 56.400 0.001 0.000 0.814 1120 E CB 0.031 29.726 29.700 -0.008 0.000 0.752 1120 E HN 0.278 nan 8.360 nan 0.000 0.466 1121 V N 0.176 120.070 119.914 -0.033 0.000 2.453 1121 V HA -0.180 3.906 4.120 -0.056 0.000 0.247 1121 V C 2.355 178.470 176.094 0.035 0.000 1.048 1121 V CA 1.637 63.925 62.300 -0.019 0.000 1.049 1121 V CB -0.272 31.532 31.823 -0.032 0.000 0.672 1121 V HN 0.272 nan 8.190 nan 0.000 0.457 1122 S N -0.325 115.385 115.700 0.017 0.000 2.356 1122 S HA -0.291 4.146 4.470 -0.056 0.000 0.223 1122 S C 2.089 176.699 174.600 0.017 0.000 1.032 1122 S CA 2.105 60.312 58.200 0.011 0.000 1.005 1122 S CB -0.223 62.981 63.200 0.006 0.000 0.867 1122 S HN 0.590 nan 8.310 nan 0.000 0.449 1123 Q N 0.232 120.053 119.800 0.035 0.000 2.096 1123 Q HA -0.104 4.202 4.340 -0.056 0.000 0.204 1123 Q C 1.734 177.770 176.000 0.059 0.000 0.982 1123 Q CA 2.081 57.913 55.803 0.047 0.000 0.850 1123 Q CB -0.817 27.960 28.738 0.065 0.000 0.901 1123 Q HN 0.641 nan 8.270 nan 0.000 0.422 1124 F N -0.216 119.682 119.950 -0.086 0.000 2.146 1124 F HA -0.053 4.439 4.527 -0.058 0.000 0.298 1124 F C 1.578 177.326 175.800 -0.086 0.000 1.096 1124 F CA 1.241 59.170 58.000 -0.118 0.000 1.275 1124 F CB -0.230 38.600 39.000 -0.284 0.000 1.008 1124 F HN 0.116 nan 8.300 nan 0.000 0.480 1125 L N -0.652 120.464 121.223 -0.178 0.000 2.056 1125 L HA -0.211 4.095 4.340 -0.056 0.000 0.207 1125 L C 2.352 179.102 176.870 -0.201 0.000 1.078 1125 L CA 1.717 56.413 54.840 -0.240 0.000 0.749 1125 L CB -1.288 40.720 42.059 -0.084 0.000 0.901 1125 L HN 0.117 nan 8.230 nan 0.000 0.433 1126 T N -0.389 114.099 114.554 -0.111 0.000 2.635 1126 T HA -0.240 4.076 4.350 -0.056 0.000 0.267 1126 T C 1.729 176.378 174.700 -0.085 0.000 1.040 1126 T CA 1.728 63.785 62.100 -0.072 0.000 1.156 1126 T CB -0.241 68.609 68.868 -0.029 0.000 0.863 1126 T HN 0.408 nan 8.240 nan 0.000 0.430 1127 E N 0.195 120.340 120.200 -0.092 0.000 2.150 1127 E HA -0.029 4.287 4.350 -0.056 0.000 0.193 1127 E C 2.430 178.971 176.600 -0.100 0.000 0.985 1127 E CA 0.879 57.246 56.400 -0.055 0.000 0.814 1127 E CB -0.217 29.475 29.700 -0.013 0.000 0.752 1127 E HN 0.553 nan 8.360 nan 0.000 0.466 1128 G N 0.804 109.441 108.800 -0.271 0.000 2.744 1128 G HA2 -0.109 3.817 3.960 -0.056 0.000 0.211 1128 G HA3 -0.109 3.817 3.960 -0.056 0.000 0.211 1128 G C 1.489 176.229 174.900 -0.267 0.000 1.146 1128 G CA -0.180 44.729 45.100 -0.317 0.000 0.787 1128 G HN 0.132 nan 8.290 nan 0.000 0.534 1129 I N 1.201 121.632 120.570 -0.231 0.000 2.361 1129 I HA 0.001 4.137 4.170 -0.056 0.000 0.251 1129 I C 2.203 178.184 176.117 -0.228 0.000 1.133 1129 I CA 0.505 61.687 61.300 -0.197 0.000 1.413 1129 I CB -0.082 37.838 38.000 -0.134 0.000 1.073 1129 I HN 0.206 nan 8.210 nan 0.000 0.424 1130 I N 0.823 121.244 120.570 -0.249 0.000 2.657 1130 I HA -0.306 3.830 4.170 -0.056 0.000 0.261 1130 I C 2.393 178.081 176.117 -0.714 0.000 1.212 1130 I CA 1.444 62.528 61.300 -0.361 0.000 1.453 1130 I CB -0.125 37.712 38.000 -0.272 0.000 1.092 1130 I HN 0.446 nan 8.210 nan 0.000 0.452 1131 M N 0.509 119.728 119.600 -0.635 0.000 2.358 1131 M HA -0.188 4.258 4.480 -0.056 0.000 0.264 1131 M C 1.927 177.954 176.300 -0.455 0.000 1.064 1131 M CA 1.942 56.814 55.300 -0.713 0.000 1.093 1131 M CB -0.785 31.660 32.600 -0.259 0.000 1.401 1131 M HN 0.148 nan 8.290 nan 0.000 0.440 1132 K N -0.110 120.098 120.400 -0.321 0.000 2.362 1132 K HA -0.096 4.190 4.320 -0.056 0.000 0.200 1132 K C 0.605 177.113 176.600 -0.153 0.000 1.046 1132 K CA 1.560 57.741 56.287 -0.177 0.000 0.952 1132 K CB -0.287 32.130 32.500 -0.137 0.000 0.753 1132 K HN 0.333 nan 8.250 nan 0.000 0.466 1133 D N 0.312 120.560 120.400 -0.253 0.000 2.289 1133 D HA 0.018 4.624 4.640 -0.056 0.000 0.207 1133 D C 0.026 176.410 176.300 0.140 0.000 0.966 1133 D CA 0.408 54.344 54.000 -0.106 0.000 0.868 1133 D CB -0.004 40.711 40.800 -0.142 0.000 0.943 1133 D HN 0.070 nan 8.370 nan 0.000 0.514 1134 F N 0.911 120.902 119.950 0.068 0.000 2.418 1134 F HA 0.373 4.866 4.527 -0.057 0.000 0.341 1134 F C 0.936 176.801 175.800 0.108 0.000 1.120 1134 F CA -1.215 56.896 58.000 0.185 0.000 1.232 1134 F CB 0.881 39.988 39.000 0.179 0.000 1.175 1134 F HN -0.394 nan 8.300 nan 0.000 0.569 1135 S N 2.127 117.985 115.700 0.263 0.000 2.652 1135 S HA 0.407 4.844 4.470 -0.056 0.000 0.273 1135 S C -1.740 172.682 174.600 -0.297 0.000 1.172 1135 S CA -0.376 57.829 58.200 0.008 0.000 1.009 1135 S CB 0.298 63.531 63.200 0.055 0.000 1.094 1135 S HN 0.845 nan 8.310 nan 0.000 0.471 1136 H N 4.938 123.745 119.070 -0.438 0.000 3.121 1136 H HA 0.302 4.824 4.556 -0.057 0.000 0.337 1136 H C -2.739 172.427 175.328 -0.270 0.000 1.198 1136 H CA -0.972 54.755 56.048 -0.535 0.000 1.274 1136 H CB 2.271 31.377 29.762 -1.093 0.000 1.954 1136 H HN 0.414 nan 8.280 nan 0.000 0.531 1137 P HA 0.007 nan 4.420 nan 0.000 0.230 1137 P C 0.022 177.307 177.300 -0.026 0.000 1.158 1137 P CA 0.857 63.840 63.100 -0.195 0.000 0.769 1137 P CB 0.321 31.873 31.700 -0.247 0.000 0.807 1138 N N -0.940 117.881 118.700 0.203 0.000 2.234 1138 N HA 0.161 4.868 4.740 -0.056 0.000 0.227 1138 N C -0.758 174.808 175.510 0.094 0.000 1.151 1138 N CA -0.204 52.943 53.050 0.162 0.000 0.865 1138 N CB 0.803 39.397 38.487 0.180 0.000 1.066 1138 N HN -0.095 nan 8.380 nan 0.000 0.515 1139 V N 1.599 121.568 119.914 0.093 0.000 2.588 1139 V HA 0.273 4.359 4.120 -0.056 0.000 0.304 1139 V C -0.349 175.846 176.094 0.169 0.000 1.042 1139 V CA -1.049 61.309 62.300 0.095 0.000 0.877 1139 V CB 2.124 33.944 31.823 -0.005 0.000 0.996 1139 V HN 0.077 nan 8.190 nan 0.000 0.425 1140 L N 5.239 126.629 121.223 0.279 0.000 2.499 1140 L HA 0.364 4.670 4.340 -0.056 0.000 0.273 1140 L C 0.668 177.628 176.870 0.151 0.000 1.195 1140 L CA 0.904 55.840 54.840 0.161 0.000 0.882 1140 L CB 0.950 43.065 42.059 0.093 0.000 1.133 1140 L HN 0.903 nan 8.230 nan 0.000 0.483 1141 S N 5.045 120.778 115.700 0.056 0.000 2.608 1141 S HA 0.619 5.056 4.470 -0.056 0.000 0.291 1141 S C -0.480 174.107 174.600 -0.021 0.000 1.146 1141 S CA -1.022 57.201 58.200 0.038 0.000 1.043 1141 S CB 1.541 64.756 63.200 0.024 0.000 1.037 1141 S HN 0.706 nan 8.310 nan 0.000 0.520 1142 L N 2.783 123.985 121.223 -0.035 0.000 2.276 1142 L HA 0.425 4.732 4.340 -0.056 0.000 0.286 1142 L C 0.531 177.385 176.870 -0.027 0.000 1.061 1142 L CA -0.327 54.481 54.840 -0.053 0.000 0.807 1142 L CB 0.119 42.130 42.059 -0.080 0.000 1.177 1142 L HN 0.914 nan 8.230 nan 0.000 0.429 1143 L N 4.547 125.759 121.223 -0.018 0.000 2.131 1143 L HA 0.362 4.669 4.340 -0.056 0.000 0.206 1143 L C 1.107 177.975 176.870 -0.003 0.000 1.087 1143 L CA 0.716 55.553 54.840 -0.005 0.000 0.767 1143 L CB -0.587 41.475 42.059 0.005 0.000 0.917 1143 L HN 0.871 nan 8.230 nan 0.000 0.441 1144 G N -0.426 108.371 108.800 -0.005 0.000 2.320 1144 G HA2 0.309 4.235 3.960 -0.056 0.000 0.297 1144 G HA3 0.309 4.235 3.960 -0.056 0.000 0.297 1144 G C -1.750 173.152 174.900 0.003 0.000 1.344 1144 G CA -0.804 44.295 45.100 -0.001 0.000 0.851 1144 G HN -0.088 nan 8.290 nan 0.000 0.567 1145 I N 0.058 120.631 120.570 0.006 0.000 2.466 1145 I HA 0.436 4.572 4.170 -0.056 0.000 0.289 1145 I C -0.248 175.878 176.117 0.015 0.000 1.026 1145 I CA -0.726 60.581 61.300 0.012 0.000 1.078 1145 I CB 2.007 40.010 38.000 0.005 0.000 1.249 1145 I HN 0.607 nan 8.210 nan 0.000 0.429 1146 C N 8.013 127.327 119.300 0.023 0.000 2.273 1146 C HA 0.607 5.033 4.460 -0.056 0.000 0.328 1146 C C 0.009 175.013 174.990 0.022 0.000 1.275 1146 C CA -0.436 58.595 59.018 0.021 0.000 1.704 1146 C CB -0.452 27.304 27.740 0.026 0.000 2.326 1146 C HN 0.659 nan 8.230 nan 0.000 0.517 1147 L N 6.563 127.794 121.223 0.013 0.000 2.344 1147 L HA 0.744 5.050 4.340 -0.056 0.000 0.272 1147 L C 0.249 177.126 176.870 0.010 0.000 1.035 1147 L CA -0.479 54.367 54.840 0.010 0.000 0.807 1147 L CB 1.165 43.225 42.059 0.002 0.000 1.237 1147 L HN 0.734 nan 8.230 nan 0.000 0.442 1148 R N -0.252 120.254 120.500 0.009 0.000 2.752 1148 R HA 0.337 4.643 4.340 -0.056 0.000 0.271 1148 R C 0.248 176.549 176.300 0.001 0.000 1.026 1148 R CA -0.439 55.666 56.100 0.008 0.000 0.901 1148 R CB 1.669 31.979 30.300 0.018 0.000 1.243 1148 R HN 0.723 nan 8.270 nan 0.000 0.463 1149 S N 0.391 116.090 115.700 -0.003 0.000 2.354 1149 S HA -0.111 4.325 4.470 -0.056 0.000 0.200 1149 S C 0.617 175.211 174.600 -0.010 0.000 1.055 1149 S CA 0.596 58.791 58.200 -0.007 0.000 1.077 1149 S CB -0.322 62.872 63.200 -0.010 0.000 0.992 1149 S HN 0.624 nan 8.310 nan 0.000 0.423 1150 E N 1.207 121.398 120.200 -0.014 0.000 2.227 1150 E HA 0.501 4.817 4.350 -0.056 0.000 0.282 1150 E C -0.084 176.506 176.600 -0.018 0.000 1.015 1150 E CA 0.431 56.820 56.400 -0.019 0.000 0.823 1150 E CB 0.669 30.353 29.700 -0.026 0.000 1.081 1150 E HN 0.936 nan 8.360 nan 0.000 0.396 1151 G N 2.582 111.374 108.800 -0.014 0.000 2.770 1151 G HA2 -0.092 3.834 3.960 -0.056 0.000 0.686 1151 G HA3 -0.092 3.834 3.960 -0.056 0.000 0.686 1151 G C -0.384 174.520 174.900 0.008 0.000 1.180 1151 G CA -0.421 44.676 45.100 -0.004 0.000 0.767 1151 G HN 0.566 nan 8.290 nan 0.000 0.646 1152 S N 2.397 118.106 115.700 0.014 0.000 2.617 1152 S HA 0.605 5.042 4.470 -0.056 0.000 0.259 1152 S C -1.917 172.701 174.600 0.030 0.000 1.301 1152 S CA -0.509 57.699 58.200 0.014 0.000 0.984 1152 S CB 0.730 63.932 63.200 0.003 0.000 0.954 1152 S HN 0.680 nan 8.310 nan 0.000 0.572 1153 P HA 0.193 nan 4.420 nan 0.000 0.269 1153 P C -1.083 176.254 177.300 0.061 0.000 1.209 1153 P CA 0.052 63.175 63.100 0.039 0.000 0.776 1153 P CB 0.221 31.940 31.700 0.032 0.000 0.876 1154 L N 2.376 123.640 121.223 0.069 0.000 2.295 1154 L HA 0.381 4.687 4.340 -0.056 0.000 0.285 1154 L C -0.098 176.819 176.870 0.077 0.000 1.035 1154 L CA -1.073 53.821 54.840 0.090 0.000 0.806 1154 L CB 1.299 43.415 42.059 0.095 0.000 1.214 1154 L HN 0.060 nan 8.230 nan 0.000 0.426 1155 V N 4.329 124.299 119.914 0.094 0.000 2.406 1155 V HA 0.222 4.308 4.120 -0.056 0.000 0.272 1155 V C 0.220 176.351 176.094 0.062 0.000 1.043 1155 V CA -0.501 61.846 62.300 0.079 0.000 0.915 1155 V CB 1.634 33.528 31.823 0.117 0.000 0.988 1155 V HN 0.430 nan 8.190 nan 0.000 0.466 1156 V N 7.368 127.304 119.914 0.037 0.000 2.370 1156 V HA 0.530 4.616 4.120 -0.056 0.000 0.279 1156 V C -0.065 176.036 176.094 0.012 0.000 1.029 1156 V CA -0.336 61.982 62.300 0.030 0.000 0.870 1156 V CB 1.271 33.109 31.823 0.025 0.000 0.984 1156 V HN 0.631 nan 8.190 nan 0.000 0.451 1157 L N 5.890 127.120 121.223 0.011 0.000 2.350 1157 L HA 0.611 4.917 4.340 -0.056 0.000 0.260 1157 L C -2.593 174.274 176.870 -0.005 0.000 1.015 1157 L CA -2.204 52.629 54.840 -0.013 0.000 0.821 1157 L CB 2.942 44.981 42.059 -0.033 0.000 1.370 1157 L HN 0.380 nan 8.230 nan 0.000 0.416 1158 P HA -0.028 nan 4.420 nan 0.000 0.269 1158 P C -1.334 175.955 177.300 -0.020 0.000 1.215 1158 P CA -0.015 63.080 63.100 -0.009 0.000 0.780 1158 P CB 0.249 31.932 31.700 -0.029 0.000 0.898 1159 Y N 2.634 122.836 120.300 -0.164 0.000 2.319 1159 Y HA 0.276 4.802 4.550 -0.040 0.000 0.328 1159 Y C 0.033 175.786 175.900 -0.245 0.000 1.133 1159 Y CA 0.088 58.020 58.100 -0.281 0.000 1.265 1159 Y CB 0.467 38.642 38.460 -0.474 0.000 1.218 1159 Y HN 0.201 nan 8.280 nan 0.000 0.508 1160 M N 7.654 126.744 119.600 -0.849 0.000 2.065 1160 M HA 0.163 4.609 4.480 -0.056 0.000 0.332 1160 M C 0.984 176.750 176.300 -0.891 0.000 0.988 1160 M CA -0.327 54.584 55.300 -0.650 0.000 0.944 1160 M CB 1.236 33.589 32.600 -0.413 0.000 1.357 1160 M HN 0.814 nan 8.290 nan 0.000 0.388 1161 K N 1.934 121.866 120.400 -0.779 0.000 2.103 1161 K HA -0.168 4.118 4.320 -0.056 0.000 0.207 1161 K C 0.551 176.826 176.600 -0.541 0.000 1.048 1161 K CA 1.903 57.792 56.287 -0.663 0.000 0.930 1161 K CB 0.178 32.374 32.500 -0.507 0.000 0.716 1161 K HN 0.668 nan 8.250 nan 0.000 0.444 1162 H N -0.792 118.110 119.070 -0.279 0.000 2.529 1162 H HA 0.224 4.750 4.556 -0.051 0.000 0.277 1162 H C 0.798 176.089 175.328 -0.062 0.000 1.004 1162 H CA -0.015 55.966 56.048 -0.112 0.000 1.167 1162 H CB 0.796 30.453 29.762 -0.176 0.000 1.445 1162 H HN 0.539 nan 8.280 nan 0.000 0.554 1163 G N 1.478 110.212 108.800 -0.110 0.000 2.601 1163 G HA2 -0.294 3.632 3.960 -0.056 0.000 0.252 1163 G HA3 -0.294 3.632 3.960 -0.056 0.000 0.252 1163 G C -0.449 174.407 174.900 -0.074 0.000 1.294 1163 G CA -0.166 44.877 45.100 -0.096 0.000 0.912 1163 G HN 0.530 nan 8.290 nan 0.000 0.574 1164 D N 0.234 120.613 120.400 -0.036 0.000 2.304 1164 D HA 0.313 4.919 4.640 -0.056 0.000 0.247 1164 D C 1.662 177.959 176.300 -0.004 0.000 1.089 1164 D CA -0.217 53.759 54.000 -0.040 0.000 0.910 1164 D CB 1.766 42.553 40.800 -0.022 0.000 1.199 1164 D HN 0.584 nan 8.370 nan 0.000 0.426 1165 L N 2.524 123.708 121.223 -0.064 0.000 2.083 1165 L HA -0.156 4.150 4.340 -0.056 0.000 0.209 1165 L C 2.660 179.557 176.870 0.045 0.000 1.083 1165 L CA 1.612 56.395 54.840 -0.096 0.000 0.752 1165 L CB -0.687 41.279 42.059 -0.156 0.000 0.899 1165 L HN 0.588 nan 8.230 nan 0.000 0.433 1166 R N -0.653 119.882 120.500 0.058 0.000 2.070 1166 R HA -0.174 4.132 4.340 -0.056 0.000 0.233 1166 R C 2.090 178.460 176.300 0.117 0.000 1.137 1166 R CA 1.779 57.933 56.100 0.090 0.000 0.945 1166 R CB -0.293 30.054 30.300 0.078 0.000 0.845 1166 R HN 0.470 nan 8.270 nan 0.000 0.430 1167 N N 0.096 118.866 118.700 0.117 0.000 2.188 1167 N HA -0.183 4.523 4.740 -0.056 0.000 0.184 1167 N C 1.572 177.185 175.510 0.172 0.000 1.018 1167 N CA 1.112 54.234 53.050 0.120 0.000 0.858 1167 N CB -0.342 38.205 38.487 0.099 0.000 0.989 1167 N HN 0.193 nan 8.380 nan 0.000 0.426 1168 F N 2.449 122.445 119.950 0.077 0.000 2.095 1168 F HA -0.150 4.342 4.527 -0.060 0.000 0.298 1168 F C 2.194 178.125 175.800 0.219 0.000 1.104 1168 F CA 1.342 59.441 58.000 0.165 0.000 1.232 1168 F CB -0.166 38.827 39.000 -0.012 0.000 0.987 1168 F HN 0.002 nan 8.300 nan 0.000 0.475 1169 I N -1.923 118.849 120.570 0.337 0.000 3.059 1169 I HA 0.006 4.142 4.170 -0.056 0.000 0.270 1169 I C 1.964 178.150 176.117 0.115 0.000 1.238 1169 I CA 0.678 62.126 61.300 0.247 0.000 1.478 1169 I CB -0.539 37.606 38.000 0.243 0.000 1.097 1169 I HN 0.016 nan 8.210 nan 0.000 0.455 1170 R N 1.516 122.070 120.500 0.090 0.000 2.193 1170 R HA 0.040 4.346 4.340 -0.056 0.000 0.213 1170 R C 0.816 177.115 176.300 -0.002 0.000 1.055 1170 R CA 0.141 56.267 56.100 0.043 0.000 0.995 1170 R CB -0.514 29.817 30.300 0.052 0.000 0.893 1170 R HN 0.385 nan 8.270 nan 0.000 0.459 1171 N N 2.240 120.919 118.700 -0.035 0.000 2.440 1171 N HA -0.085 4.622 4.740 -0.056 0.000 0.265 1171 N C 0.154 175.571 175.510 -0.157 0.000 1.239 1171 N CA 0.525 53.477 53.050 -0.164 0.000 0.909 1171 N CB 1.016 39.255 38.487 -0.415 0.000 1.066 1171 N HN 0.171 nan 8.380 nan 0.000 0.474 1172 E N 1.116 121.238 120.200 -0.131 0.000 2.208 1172 E HA -0.120 4.197 4.350 -0.056 0.000 0.193 1172 E C 1.392 177.935 176.600 -0.095 0.000 0.988 1172 E CA 1.296 57.644 56.400 -0.086 0.000 0.828 1172 E CB 0.159 29.823 29.700 -0.061 0.000 0.763 1172 E HN 0.826 nan 8.360 nan 0.000 0.478 1173 T N -1.494 112.966 114.554 -0.157 0.000 3.043 1173 T HA -0.085 4.231 4.350 -0.056 0.000 0.263 1173 T C 1.563 176.225 174.700 -0.064 0.000 1.094 1173 T CA 0.574 62.603 62.100 -0.118 0.000 1.127 1173 T CB -0.089 68.697 68.868 -0.138 0.000 0.905 1173 T HN 0.101 nan 8.240 nan 0.000 0.490 1174 H N 1.966 120.944 119.070 -0.153 0.000 2.326 1174 H HA 0.123 4.644 4.556 -0.058 0.000 0.301 1174 H C 1.504 176.763 175.328 -0.115 0.000 1.081 1174 H CA 1.012 56.937 56.048 -0.205 0.000 1.334 1174 H CB -0.999 28.496 29.762 -0.446 0.000 1.385 1174 H HN 0.514 nan 8.280 nan 0.000 0.504 1175 N N 0.861 119.584 118.700 0.038 0.000 2.669 1175 N HA -0.117 4.589 4.740 -0.056 0.000 0.266 1175 N C -2.565 172.946 175.510 0.002 0.000 1.024 1175 N CA 0.057 53.105 53.050 -0.002 0.000 0.766 1175 N CB -0.341 38.128 38.487 -0.030 0.000 0.898 1175 N HN 0.230 nan 8.380 nan 0.000 0.548 1176 P HA 0.091 nan 4.420 nan 0.000 0.271 1176 P C 0.054 177.331 177.300 -0.039 0.000 1.216 1176 P CA -0.132 62.996 63.100 0.047 0.000 0.776 1176 P CB 0.656 32.481 31.700 0.208 0.000 0.881 1177 T N -1.393 113.111 114.554 -0.084 0.000 2.868 1177 T HA 0.112 4.428 4.350 -0.056 0.000 0.292 1177 T C 1.551 176.160 174.700 -0.153 0.000 1.028 1177 T CA -0.717 61.311 62.100 -0.119 0.000 1.059 1177 T CB 0.172 68.974 68.868 -0.110 0.000 0.991 1177 T HN 0.089 nan 8.240 nan 0.000 0.531 1178 V N 1.656 121.471 119.914 -0.165 0.000 2.313 1178 V HA -0.248 3.838 4.120 -0.056 0.000 0.253 1178 V C 2.842 178.711 176.094 -0.375 0.000 1.070 1178 V CA 2.490 64.662 62.300 -0.215 0.000 1.057 1178 V CB -0.969 30.761 31.823 -0.155 0.000 0.653 1178 V HN 1.039 nan 8.190 nan 0.000 0.450 1179 K N -0.304 119.839 120.400 -0.428 0.000 2.026 1179 K HA -0.228 4.058 4.320 -0.056 0.000 0.208 1179 K C 1.906 178.389 176.600 -0.194 0.000 1.048 1179 K CA 1.929 57.946 56.287 -0.450 0.000 0.929 1179 K CB -0.282 32.025 32.500 -0.322 0.000 0.713 1179 K HN 0.486 nan 8.250 nan 0.000 0.439 1180 D N 1.058 121.308 120.400 -0.249 0.000 2.123 1180 D HA -0.191 4.415 4.640 -0.056 0.000 0.196 1180 D C 2.033 177.938 176.300 -0.658 0.000 0.992 1180 D CA 1.101 54.824 54.000 -0.462 0.000 0.833 1180 D CB -0.214 40.348 40.800 -0.396 0.000 0.954 1180 D HN 0.258 nan 8.370 nan 0.000 0.455 1181 L N 0.412 121.448 121.223 -0.310 0.000 2.046 1181 L HA -0.127 4.179 4.340 -0.056 0.000 0.208 1181 L C 2.563 179.377 176.870 -0.093 0.000 1.077 1181 L CA 0.770 55.543 54.840 -0.111 0.000 0.747 1181 L CB -0.302 41.737 42.059 -0.035 0.000 0.896 1181 L HN 0.013 nan 8.230 nan 0.000 0.432 1182 I N -0.378 120.119 120.570 -0.121 0.000 2.394 1182 I HA -0.170 3.967 4.170 -0.056 0.000 0.251 1182 I C 2.609 178.679 176.117 -0.080 0.000 1.136 1182 I CA 1.178 62.456 61.300 -0.037 0.000 1.425 1182 I CB -0.819 37.173 38.000 -0.012 0.000 1.079 1182 I HN 0.266 nan 8.210 nan 0.000 0.425 1183 G N 1.142 109.819 108.800 -0.205 0.000 2.421 1183 G HA2 -0.241 3.685 3.960 -0.056 0.000 0.216 1183 G HA3 -0.241 3.685 3.960 -0.056 0.000 0.216 1183 G C 1.425 176.177 174.900 -0.246 0.000 1.171 1183 G CA 0.517 45.298 45.100 -0.532 0.000 0.775 1183 G HN 0.169 nan 8.290 nan 0.000 0.543 1184 F N 1.824 121.709 119.950 -0.109 0.000 2.120 1184 F HA -0.020 4.473 4.527 -0.056 0.000 0.300 1184 F C 2.902 178.686 175.800 -0.027 0.000 1.095 1184 F CA 0.590 58.545 58.000 -0.075 0.000 1.249 1184 F CB -1.147 37.818 39.000 -0.059 0.000 0.995 1184 F HN 0.188 nan 8.300 nan 0.000 0.480 1185 G N -0.234 108.668 108.800 0.170 0.000 2.422 1185 G HA2 -0.223 3.703 3.960 -0.056 0.000 0.218 1185 G HA3 -0.223 3.703 3.960 -0.056 0.000 0.218 1185 G C 1.703 176.746 174.900 0.238 0.000 1.146 1185 G CA 0.831 46.033 45.100 0.171 0.000 0.769 1185 G HN 0.333 nan 8.290 nan 0.000 0.547 1186 L N 0.456 121.729 121.223 0.083 0.000 2.093 1186 L HA -0.004 4.302 4.340 -0.056 0.000 0.208 1186 L C 2.804 179.695 176.870 0.035 0.000 1.085 1186 L CA 1.773 56.631 54.840 0.031 0.000 0.755 1186 L CB -0.736 41.220 42.059 -0.173 0.000 0.904 1186 L HN 0.310 nan 8.230 nan 0.000 0.435 1187 Q N -1.105 118.712 119.800 0.030 0.000 2.050 1187 Q HA -0.181 4.125 4.340 -0.056 0.000 0.202 1187 Q C 2.174 178.214 176.000 0.067 0.000 0.980 1187 Q CA 1.978 57.809 55.803 0.046 0.000 0.840 1187 Q CB -0.339 28.439 28.738 0.067 0.000 0.898 1187 Q HN 0.465 nan 8.270 nan 0.000 0.424 1188 V N 1.038 121.029 119.914 0.129 0.000 2.407 1188 V HA -0.269 3.817 4.120 -0.056 0.000 0.248 1188 V C 2.292 178.409 176.094 0.038 0.000 1.055 1188 V CA 1.672 64.054 62.300 0.138 0.000 1.049 1188 V CB -0.981 31.017 31.823 0.292 0.000 0.662 1188 V HN 0.374 nan 8.190 nan 0.000 0.455 1189 A N 0.021 122.889 122.820 0.079 0.000 1.883 1189 A HA -0.262 4.024 4.320 -0.056 0.000 0.217 1189 A C 2.299 179.765 177.584 -0.197 0.000 1.186 1189 A CA 2.102 54.016 52.037 -0.206 0.000 0.624 1189 A CB -0.461 18.515 19.000 -0.040 0.000 0.822 1189 A HN 0.536 nan 8.150 nan 0.000 0.444 1190 K N -0.893 119.460 120.400 -0.078 0.000 2.097 1190 K HA -0.092 4.194 4.320 -0.056 0.000 0.206 1190 K C 2.060 178.529 176.600 -0.219 0.000 1.049 1190 K CA 1.020 57.273 56.287 -0.057 0.000 0.933 1190 K CB -0.405 32.141 32.500 0.076 0.000 0.717 1190 K HN 0.488 nan 8.250 nan 0.000 0.442 1191 G N 0.830 109.497 108.800 -0.221 0.000 2.422 1191 G HA2 -0.199 3.727 3.960 -0.056 0.000 0.218 1191 G HA3 -0.199 3.727 3.960 -0.056 0.000 0.218 1191 G C 1.433 176.075 174.900 -0.430 0.000 1.140 1191 G CA 0.432 45.316 45.100 -0.359 0.000 0.775 1191 G HN 0.063 nan 8.290 nan 0.000 0.545 1192 M N 0.296 119.571 119.600 -0.541 0.000 2.288 1192 M HA 0.144 4.590 4.480 -0.056 0.000 0.266 1192 M C 2.234 178.083 176.300 -0.751 0.000 1.072 1192 M CA 0.750 55.523 55.300 -0.878 0.000 1.132 1192 M CB -0.708 30.825 32.600 -1.778 0.000 1.386 1192 M HN 0.265 nan 8.290 nan 0.000 0.432 1193 K N -0.351 119.759 120.400 -0.483 0.000 2.063 1193 K HA -0.237 4.049 4.320 -0.056 0.000 0.208 1193 K C 2.116 178.597 176.600 -0.198 0.000 1.048 1193 K CA 1.557 57.727 56.287 -0.195 0.000 0.928 1193 K CB -0.279 32.172 32.500 -0.082 0.000 0.713 1193 K HN 0.243 nan 8.250 nan 0.000 0.442 1194 Y N 1.267 121.317 120.300 -0.417 0.000 2.181 1194 Y HA -0.173 4.344 4.550 -0.055 0.000 0.288 1194 Y C 1.782 177.443 175.900 -0.398 0.000 1.146 1194 Y CA 1.479 59.330 58.100 -0.415 0.000 1.164 1194 Y CB -0.078 37.962 38.460 -0.701 0.000 0.982 1194 Y HN 0.010 nan 8.280 nan 0.000 0.515 1195 L N -0.529 120.478 121.223 -0.360 0.000 2.056 1195 L HA -0.180 4.126 4.340 -0.056 0.000 0.207 1195 L C 2.760 179.458 176.870 -0.286 0.000 1.078 1195 L CA 1.059 55.648 54.840 -0.419 0.000 0.749 1195 L CB -0.905 40.981 42.059 -0.288 0.000 0.901 1195 L HN 0.338 nan 8.230 nan 0.000 0.433 1196 A N 0.136 122.827 122.820 -0.215 0.000 1.933 1196 A HA -0.215 4.071 4.320 -0.056 0.000 0.218 1196 A C 2.486 180.002 177.584 -0.113 0.000 1.175 1196 A CA 1.927 53.911 52.037 -0.089 0.000 0.628 1196 A CB -0.638 18.378 19.000 0.025 0.000 0.814 1196 A HN 0.531 nan 8.150 nan 0.000 0.444 1197 S N -0.739 114.844 115.700 -0.196 0.000 2.447 1197 S HA -0.045 4.391 4.470 -0.056 0.000 0.233 1197 S C 1.420 175.891 174.600 -0.216 0.000 1.006 1197 S CA 1.084 59.171 58.200 -0.189 0.000 0.957 1197 S CB -0.104 62.964 63.200 -0.220 0.000 0.773 1197 S HN 0.429 nan 8.310 nan 0.000 0.507 1198 K N 0.778 120.998 120.400 -0.301 0.000 2.404 1198 K HA 0.208 4.494 4.320 -0.056 0.000 0.194 1198 K C -0.033 176.548 176.600 -0.033 0.000 1.023 1198 K CA -0.008 56.159 56.287 -0.201 0.000 1.094 1198 K CB 0.034 32.323 32.500 -0.352 0.000 0.841 1198 K HN 0.177 nan 8.250 nan 0.000 0.523 1199 K N 0.079 120.458 120.400 -0.035 0.000 3.129 1199 K HA -0.204 4.083 4.320 -0.056 0.000 0.273 1199 K C -0.353 176.304 176.600 0.095 0.000 1.123 1199 K CA 0.447 56.750 56.287 0.026 0.000 0.800 1199 K CB -2.497 30.025 32.500 0.037 0.000 1.238 1199 K HN 0.206 nan 8.250 nan 0.000 0.492 1200 F N 0.644 120.546 119.950 -0.079 0.000 2.405 1200 F HA 0.383 4.877 4.527 -0.056 0.000 0.355 1200 F C 0.290 176.069 175.800 -0.035 0.000 1.121 1200 F CA -0.938 57.044 58.000 -0.031 0.000 1.112 1200 F CB 0.997 39.960 39.000 -0.061 0.000 1.126 1200 F HN -0.148 nan 8.300 nan 0.000 0.481 1201 V N 7.409 126.935 119.914 -0.647 0.000 2.407 1201 V HA 0.105 4.191 4.120 -0.056 0.000 0.278 1201 V C 0.655 176.354 176.094 -0.658 0.000 1.037 1201 V CA -0.198 61.848 62.300 -0.424 0.000 0.900 1201 V CB 1.169 32.877 31.823 -0.191 0.000 0.983 1201 V HN 0.968 nan 8.190 nan 0.000 0.459 1202 H N 4.134 123.004 119.070 -0.334 0.000 2.329 1202 H HA 0.091 4.613 4.556 -0.057 0.000 0.306 1202 H C 1.635 176.891 175.328 -0.120 0.000 1.062 1202 H CA 1.806 57.743 56.048 -0.184 0.000 1.364 1202 H CB 0.193 29.950 29.762 -0.007 0.000 1.409 1202 H HN 0.688 nan 8.280 nan 0.000 0.519 1203 R N -1.729 118.839 120.500 0.113 0.000 3.590 1203 R HA -0.174 4.132 4.340 -0.056 0.000 0.463 1203 R C -0.483 175.886 176.300 0.115 0.000 0.657 1203 R CA 1.259 57.311 56.100 -0.079 0.000 1.512 1203 R CB -1.596 28.364 30.300 -0.567 0.000 2.154 1203 R HN 0.410 nan 8.270 nan 0.000 0.409 1204 D N 0.153 120.810 120.400 0.429 0.000 3.007 1204 D HA 0.156 4.762 4.640 -0.056 0.000 0.363 1204 D C -1.025 175.472 176.300 0.328 0.000 1.474 1204 D CA -0.427 53.790 54.000 0.362 0.000 0.767 1204 D CB 0.366 41.336 40.800 0.283 0.000 1.227 1204 D HN 0.052 nan 8.370 nan 0.000 0.471 1205 L N 1.510 122.834 121.223 0.169 0.000 2.416 1205 L HA 0.635 4.941 4.340 -0.056 0.000 0.272 1205 L C -0.383 176.516 176.870 0.047 0.000 1.161 1205 L CA 0.450 55.238 54.840 -0.087 0.000 0.845 1205 L CB 0.618 42.666 42.059 -0.019 0.000 1.119 1205 L HN 0.222 nan 8.230 nan 0.000 0.464 1206 A N 3.559 126.376 122.820 -0.005 0.000 2.549 1206 A HA 0.619 4.905 4.320 -0.056 0.000 0.291 1206 A C 0.323 177.921 177.584 0.023 0.000 1.034 1206 A CA -0.166 51.853 52.037 -0.029 0.000 0.655 1206 A CB -0.169 18.439 19.000 -0.654 0.000 1.299 1206 A HN 1.176 nan 8.150 nan 0.000 0.427 1207 A N 0.551 123.437 122.820 0.109 0.000 1.972 1207 A HA -0.121 4.165 4.320 -0.056 0.000 0.219 1207 A C 1.878 179.476 177.584 0.022 0.000 1.169 1207 A CA 2.043 54.127 52.037 0.078 0.000 0.635 1207 A CB -0.602 18.471 19.000 0.122 0.000 0.810 1207 A HN 1.208 nan 8.150 nan 0.000 0.446 1208 R N -1.046 119.447 120.500 -0.012 0.000 2.285 1208 R HA 0.030 4.336 4.340 -0.056 0.000 0.213 1208 R C 0.230 176.529 176.300 -0.002 0.000 1.068 1208 R CA 1.400 57.496 56.100 -0.007 0.000 1.004 1208 R CB -0.308 29.982 30.300 -0.016 0.000 0.873 1208 R HN 0.309 nan 8.270 nan 0.000 0.467 1209 N N 0.011 118.714 118.700 0.004 0.000 2.204 1209 N HA 0.131 4.837 4.740 -0.056 0.000 0.219 1209 N C -1.032 174.509 175.510 0.052 0.000 1.151 1209 N CA -0.165 52.916 53.050 0.051 0.000 0.867 1209 N CB 0.817 39.381 38.487 0.128 0.000 1.043 1209 N HN 0.138 nan 8.380 nan 0.000 0.516 1210 C N 1.628 120.932 119.300 0.008 0.000 2.351 1210 C HA 0.582 5.008 4.460 -0.056 0.000 0.326 1210 C C 0.234 175.183 174.990 -0.068 0.000 1.272 1210 C CA -0.922 58.089 59.018 -0.012 0.000 1.650 1210 C CB 0.656 28.385 27.740 -0.019 0.000 2.257 1210 C HN 0.172 nan 8.230 nan 0.000 0.505 1211 M N 2.765 122.314 119.600 -0.085 0.000 2.654 1211 M HA 0.629 5.075 4.480 -0.056 0.000 0.310 1211 M C -0.642 175.547 176.300 -0.186 0.000 1.211 1211 M CA -0.750 54.467 55.300 -0.139 0.000 0.947 1211 M CB 0.945 33.456 32.600 -0.148 0.000 1.647 1211 M HN 0.494 nan 8.290 nan 0.000 0.481 1212 L N 1.817 122.902 121.223 -0.229 0.000 2.356 1212 L HA 0.346 4.652 4.340 -0.056 0.000 0.277 1212 L C -0.358 176.381 176.870 -0.218 0.000 0.996 1212 L CA -0.760 53.917 54.840 -0.272 0.000 0.822 1212 L CB 1.912 43.694 42.059 -0.462 0.000 1.256 1212 L HN 0.732 nan 8.230 nan 0.000 0.413 1213 D N 1.896 122.184 120.400 -0.187 0.000 2.506 1213 D HA 0.023 4.629 4.640 -0.056 0.000 0.272 1213 D C 0.873 177.063 176.300 -0.184 0.000 1.214 1213 D CA -0.439 53.448 54.000 -0.189 0.000 1.067 1213 D CB 0.491 41.212 40.800 -0.130 0.000 1.117 1213 D HN 0.535 nan 8.370 nan 0.000 0.578 1214 E N 0.232 120.316 120.200 -0.194 0.000 2.268 1214 E HA -0.220 4.096 4.350 -0.056 0.000 0.195 1214 E C 0.725 177.255 176.600 -0.116 0.000 0.995 1214 E CA 1.106 57.378 56.400 -0.213 0.000 0.836 1214 E CB -0.281 29.348 29.700 -0.119 0.000 0.763 1214 E HN 0.534 nan 8.360 nan 0.000 0.491 1215 K N -0.187 120.188 120.400 -0.042 0.000 2.417 1215 K HA 0.118 4.404 4.320 -0.056 0.000 0.196 1215 K C -0.520 176.224 176.600 0.240 0.000 1.023 1215 K CA -0.081 56.276 56.287 0.117 0.000 1.122 1215 K CB -0.148 32.405 32.500 0.088 0.000 0.850 1215 K HN -0.008 nan 8.250 nan 0.000 0.521 1216 F N 0.032 119.996 119.950 0.022 0.000 3.057 1216 F HA -0.258 4.237 4.527 -0.054 0.000 0.287 1216 F C 0.012 175.774 175.800 -0.064 0.000 0.834 1216 F CA 0.446 58.385 58.000 -0.100 0.000 1.147 1216 F CB -2.593 36.348 39.000 -0.097 0.000 1.245 1216 F HN -0.101 nan 8.300 nan 0.000 0.509 1217 T N 1.083 115.668 114.554 0.051 0.000 2.832 1217 T HA 0.505 4.821 4.350 -0.056 0.000 0.296 1217 T C 0.494 175.167 174.700 -0.045 0.000 0.968 1217 T CA -0.464 61.647 62.100 0.018 0.000 1.107 1217 T CB 1.529 70.396 68.868 -0.002 0.000 0.916 1217 T HN 0.018 nan 8.240 nan 0.000 0.517 1218 V N 5.405 125.300 119.914 -0.032 0.000 2.498 1218 V HA 0.305 4.391 4.120 -0.056 0.000 0.279 1218 V C 0.274 176.350 176.094 -0.031 0.000 1.048 1218 V CA -0.448 61.807 62.300 -0.075 0.000 0.967 1218 V CB 0.853 32.646 31.823 -0.050 0.000 0.988 1218 V HN 0.673 nan 8.190 nan 0.000 0.473 1219 K N 4.022 124.398 120.400 -0.039 0.000 2.450 1219 K HA 0.453 4.739 4.320 -0.056 0.000 0.257 1219 K C -0.856 175.773 176.600 0.048 0.000 0.953 1219 K CA -0.703 55.592 56.287 0.012 0.000 0.844 1219 K CB 2.045 34.547 32.500 0.003 0.000 1.103 1219 K HN 0.401 nan 8.250 nan 0.000 0.429 1220 V N 2.573 122.532 119.914 0.076 0.000 2.540 1220 V HA 0.228 4.315 4.120 -0.056 0.000 0.297 1220 V C 0.646 176.948 176.094 0.346 0.000 1.024 1220 V CA 0.334 62.708 62.300 0.123 0.000 1.105 1220 V CB 0.540 32.374 31.823 0.020 0.000 0.938 1220 V HN 0.956 nan 8.190 nan 0.000 0.482 1221 A N 3.574 126.626 122.820 0.385 0.000 2.701 1221 A HA 0.704 4.991 4.320 -0.056 0.000 0.290 1221 A C 0.236 178.117 177.584 0.496 0.000 1.267 1221 A CA 0.070 52.351 52.037 0.406 0.000 0.709 1221 A CB 0.520 19.590 19.000 0.116 0.000 1.352 1221 A HN 0.829 nan 8.150 nan 0.000 0.519 1222 D N -1.907 118.619 120.400 0.211 0.000 2.723 1222 D HA -0.140 4.466 4.640 -0.056 0.000 0.236 1222 D C -0.426 176.036 176.300 0.270 0.000 1.138 1222 D CA 1.805 55.940 54.000 0.225 0.000 0.676 1222 D CB -1.675 39.288 40.800 0.271 0.000 1.069 1222 D HN 1.179 nan 8.370 nan 0.000 0.430 1223 F N -2.732 117.293 119.950 0.124 0.000 2.650 1223 F HA 0.772 5.266 4.527 -0.056 0.000 0.320 1223 F C 1.321 177.188 175.800 0.112 0.000 1.091 1223 F CA -0.004 58.038 58.000 0.070 0.000 0.962 1223 F CB 1.018 40.070 39.000 0.086 0.000 1.363 1223 F HN 0.161 nan 8.300 nan 0.000 0.482 1224 G N 1.058 109.987 108.800 0.215 0.000 2.583 1224 G HA2 -0.308 3.618 3.960 -0.056 0.000 0.292 1224 G HA3 -0.308 3.618 3.960 -0.056 0.000 0.292 1224 G C 0.463 175.258 174.900 -0.176 0.000 1.203 1224 G CA 0.329 45.413 45.100 -0.026 0.000 0.987 1224 G HN 1.024 nan 8.290 nan 0.000 0.554 1225 L N 1.362 122.414 121.223 -0.286 0.000 2.622 1225 L HA 0.288 4.594 4.340 -0.056 0.000 0.233 1225 L C 2.864 179.840 176.870 0.176 0.000 1.156 1225 L CA 1.196 55.901 54.840 -0.224 0.000 0.866 1225 L CB -0.438 41.495 42.059 -0.209 0.000 0.980 1225 L HN 0.698 nan 8.230 nan 0.000 0.448 1226 A N -0.260 122.581 122.820 0.035 0.000 2.348 1226 A HA 0.066 4.353 4.320 -0.056 0.000 0.224 1226 A C 1.115 178.850 177.584 0.250 0.000 1.227 1226 A CA -0.293 51.805 52.037 0.102 0.000 0.885 1226 A CB -0.050 18.885 19.000 -0.108 0.000 0.933 1226 A HN 0.255 nan 8.150 nan 0.000 0.506 1227 R N 0.930 121.612 120.500 0.304 0.000 2.389 1227 R HA 0.358 4.665 4.340 -0.056 0.000 0.295 1227 R C -1.406 175.086 176.300 0.321 0.000 1.075 1227 R CA 0.061 56.353 56.100 0.319 0.000 1.005 1227 R CB 0.309 30.776 30.300 0.278 0.000 0.987 1227 R HN 0.270 nan 8.270 nan 0.000 0.452 1228 D N 2.947 123.417 120.400 0.116 0.000 2.710 1228 D HA 0.112 4.718 4.640 -0.056 0.000 0.276 1228 D C -1.177 174.780 176.300 -0.572 0.000 1.267 1228 D CA -0.591 53.167 54.000 -0.404 0.000 0.772 1228 D CB 1.322 41.672 40.800 -0.750 0.000 1.299 1228 D HN 0.321 nan 8.370 nan 0.000 0.421 1229 M N 2.927 122.099 119.600 -0.713 0.000 2.156 1229 M HA 0.161 4.607 4.480 -0.056 0.000 0.345 1229 M C -0.342 175.588 176.300 -0.617 0.000 1.398 1229 M CA 0.267 55.196 55.300 -0.619 0.000 1.148 1229 M CB -0.232 32.022 32.600 -0.577 0.000 1.663 1229 M HN 0.482 nan 8.290 nan 0.000 0.464 1230 Y N 0.045 120.229 120.300 -0.193 0.000 2.559 1230 Y HA 0.185 4.702 4.550 -0.055 0.000 0.279 1230 Y C 0.674 176.541 175.900 -0.055 0.000 1.117 1230 Y CA -0.114 57.926 58.100 -0.099 0.000 1.263 1230 Y CB 0.712 39.139 38.460 -0.053 0.000 1.230 1230 Y HN 0.451 nan 8.280 nan 0.000 0.528 1231 D N -0.033 120.442 120.400 0.124 0.000 2.736 1231 D HA 0.162 4.768 4.640 -0.056 0.000 0.243 1231 D C -0.271 176.130 176.300 0.168 0.000 1.304 1231 D CA -0.325 53.750 54.000 0.124 0.000 0.934 1231 D CB 1.335 42.242 40.800 0.178 0.000 1.382 1231 D HN 0.309 nan 8.370 nan 0.000 0.571 1232 K N 2.479 122.926 120.400 0.078 0.000 2.404 1232 K HA 0.110 4.396 4.320 -0.056 0.000 0.194 1232 K C 1.203 177.883 176.600 0.134 0.000 1.023 1232 K CA -0.071 56.290 56.287 0.123 0.000 1.094 1232 K CB 0.629 33.106 32.500 -0.037 0.000 0.841 1232 K HN 0.328 nan 8.250 nan 0.000 0.523 1233 E N 1.028 121.239 120.200 0.018 0.000 2.086 1233 E HA -0.225 4.091 4.350 -0.056 0.000 0.200 1233 E C 0.206 176.583 176.600 -0.371 0.000 1.012 1233 E CA 1.411 57.662 56.400 -0.248 0.000 0.812 1233 E CB -0.075 29.364 29.700 -0.434 0.000 0.743 1233 E HN 0.561 nan 8.360 nan 0.000 0.453 1234 Y N -1.069 119.280 120.300 0.082 0.000 2.683 1234 Y HA 0.241 4.757 4.550 -0.057 0.000 0.297 1234 Y C -0.832 174.894 175.900 -0.290 0.000 1.147 1234 Y CA -0.272 57.808 58.100 -0.033 0.000 1.274 1234 Y CB 0.142 38.573 38.460 -0.048 0.000 1.143 1234 Y HN -0.023 nan 8.280 nan 0.000 0.527 1235 Y N -0.840 119.504 120.300 0.074 0.000 2.446 1235 Y HA 0.587 5.103 4.550 -0.057 0.000 0.345 1235 Y C 0.179 176.059 175.900 -0.032 0.000 0.984 1235 Y CA -1.129 56.992 58.100 0.034 0.000 1.058 1235 Y CB 2.218 40.670 38.460 -0.013 0.000 1.220 1235 Y HN -0.169 nan 8.280 nan 0.000 0.455 1236 S N 0.775 116.532 115.700 0.094 0.000 2.548 1236 S HA 0.383 4.819 4.470 -0.056 0.000 0.276 1236 S C 0.073 174.637 174.600 -0.061 0.000 1.129 1236 S CA -0.654 57.510 58.200 -0.060 0.000 0.931 1236 S CB 1.196 64.343 63.200 -0.088 0.000 1.068 1236 S HN 0.702 nan 8.310 nan 0.000 0.480 1237 V N 1.910 121.723 119.914 -0.168 0.000 3.541 1237 V HA 0.319 4.406 4.120 -0.056 0.000 0.267 1237 V C 0.685 176.782 176.094 0.005 0.000 1.213 1237 V CA 0.755 63.010 62.300 -0.076 0.000 1.149 1237 V CB -1.436 30.338 31.823 -0.081 0.000 0.822 1237 V HN 0.922 nan 8.190 nan 0.000 0.462 1238 H N 3.650 122.708 119.070 -0.020 0.000 3.563 1238 H HA 0.352 4.874 4.556 -0.056 0.000 0.219 1238 H C 0.213 175.561 175.328 0.033 0.000 1.771 1238 H CA 0.310 56.359 56.048 0.000 0.000 1.458 1238 H CB -0.474 29.207 29.762 -0.136 0.000 1.796 1238 H HN 0.891 nan 8.280 nan 0.000 0.652 1239 N N -1.420 117.372 118.700 0.152 0.000 3.020 1239 N HA 0.123 4.829 4.740 -0.056 0.000 0.248 1239 N C -0.015 175.543 175.510 0.081 0.000 1.480 1239 N CA -1.095 52.014 53.050 0.098 0.000 0.874 1239 N CB 1.221 39.757 38.487 0.081 0.000 1.433 1239 N HN -0.088 nan 8.380 nan 0.000 0.530 1240 K N -1.021 119.411 120.400 0.052 0.000 2.283 1240 K HA -0.099 4.187 4.320 -0.056 0.000 0.202 1240 K C 1.217 177.846 176.600 0.048 0.000 1.048 1240 K CA 1.837 58.148 56.287 0.041 0.000 0.948 1240 K CB -0.292 32.218 32.500 0.017 0.000 0.742 1240 K HN 0.784 nan 8.250 nan 0.000 0.458 1241 T N -3.175 111.414 114.554 0.060 0.000 3.014 1241 T HA 0.083 4.399 4.350 -0.056 0.000 0.263 1241 T C 1.597 176.331 174.700 0.058 0.000 1.078 1241 T CA 0.845 62.983 62.100 0.064 0.000 1.135 1241 T CB 0.150 69.072 68.868 0.090 0.000 0.895 1241 T HN 0.330 nan 8.240 nan 0.000 0.480 1242 G N 1.220 110.057 108.800 0.061 0.000 2.179 1242 G HA2 -0.035 3.891 3.960 -0.056 0.000 0.260 1242 G HA3 -0.035 3.891 3.960 -0.056 0.000 0.260 1242 G C 0.271 175.191 174.900 0.032 0.000 0.977 1242 G CA 0.045 45.176 45.100 0.051 0.000 0.641 1242 G HN 1.214 nan 8.290 nan 0.000 0.533 1243 A N -0.008 122.836 122.820 0.040 0.000 2.282 1243 A HA 0.705 4.991 4.320 -0.056 0.000 0.319 1243 A C 0.562 178.163 177.584 0.028 0.000 1.121 1243 A CA -0.468 51.582 52.037 0.021 0.000 0.836 1243 A CB 0.593 19.611 19.000 0.031 0.000 1.146 1243 A HN 0.161 nan 8.150 nan 0.000 0.494 1244 K N 1.550 121.948 120.400 -0.004 0.000 2.361 1244 K HA 0.190 4.476 4.320 -0.056 0.000 0.283 1244 K C -0.808 175.883 176.600 0.151 0.000 1.078 1244 K CA 0.735 57.044 56.287 0.037 0.000 1.041 1244 K CB -0.491 31.980 32.500 -0.048 0.000 0.932 1244 K HN 0.499 nan 8.250 nan 0.000 0.462 1245 L N 4.783 126.130 121.223 0.206 0.000 2.323 1245 L HA 0.385 4.691 4.340 -0.056 0.000 0.265 1245 L C -1.985 175.034 176.870 0.248 0.000 1.012 1245 L CA -2.315 52.693 54.840 0.279 0.000 0.820 1245 L CB 2.200 44.400 42.059 0.234 0.000 1.334 1245 L HN 0.295 nan 8.230 nan 0.000 0.427 1246 P HA 0.006 nan 4.420 nan 0.000 0.226 1246 P C 0.981 178.426 177.300 0.242 0.000 1.783 1246 P CA -0.136 62.963 63.100 -0.001 0.000 0.980 1246 P CB -0.019 31.598 31.700 -0.137 0.000 1.967 1247 V N 0.151 120.176 119.914 0.184 0.000 2.568 1247 V HA -0.202 3.884 4.120 -0.056 0.000 0.253 1247 V C 1.711 177.879 176.094 0.124 0.000 1.072 1247 V CA 1.360 63.739 62.300 0.132 0.000 1.084 1247 V CB -1.279 30.582 31.823 0.063 0.000 0.676 1247 V HN 0.148 nan 8.190 nan 0.000 0.469 1248 K N -1.108 119.422 120.400 0.217 0.000 2.525 1248 K HA 0.051 4.337 4.320 -0.056 0.000 0.192 1248 K C 1.491 178.134 176.600 0.072 0.000 1.029 1248 K CA 0.813 57.157 56.287 0.094 0.000 1.029 1248 K CB -0.076 32.454 32.500 0.050 0.000 0.814 1248 K HN 0.670 nan 8.250 nan 0.000 0.503 1249 W N 0.348 121.733 121.300 0.142 0.000 3.103 1249 W HA 0.257 4.884 4.660 -0.056 0.000 0.325 1249 W C 0.202 176.860 176.519 0.233 0.000 1.170 1249 W CA -0.444 57.040 57.345 0.232 0.000 1.712 1249 W CB 0.353 29.922 29.460 0.181 0.000 1.068 1249 W HN -0.022 nan 8.180 nan 0.000 0.592 1250 M N 0.644 120.383 119.600 0.233 0.000 2.249 1250 M HA 0.366 4.813 4.480 -0.056 0.000 0.351 1250 M C 0.675 176.606 176.300 -0.615 0.000 1.180 1250 M CA -0.208 55.084 55.300 -0.013 0.000 1.127 1250 M CB 1.207 33.815 32.600 0.014 0.000 1.546 1250 M HN -0.255 nan 8.290 nan 0.000 0.461 1251 A N 2.107 124.460 122.820 -0.778 0.000 2.466 1251 A HA 0.114 4.400 4.320 -0.056 0.000 0.238 1251 A C 0.893 177.863 177.584 -1.023 0.000 1.074 1251 A CA -0.460 50.714 52.037 -1.439 0.000 0.774 1251 A CB 0.157 18.849 19.000 -0.514 0.000 1.015 1251 A HN 0.993 nan 8.150 nan 0.000 0.498 1252 L N 0.986 121.522 121.223 -1.145 0.000 2.043 1252 L HA -0.195 4.111 4.340 -0.056 0.000 0.212 1252 L C 2.359 179.035 176.870 -0.324 0.000 1.075 1252 L CA 2.912 57.434 54.840 -0.531 0.000 0.752 1252 L CB -0.649 41.235 42.059 -0.292 0.000 0.891 1252 L HN 0.881 nan 8.230 nan 0.000 0.432 1253 E N -1.297 118.736 120.200 -0.278 0.000 2.285 1253 E HA -0.113 4.203 4.350 -0.056 0.000 0.194 1253 E C 1.842 178.306 176.600 -0.228 0.000 0.997 1253 E CA 1.195 57.486 56.400 -0.183 0.000 0.845 1253 E CB -0.515 29.119 29.700 -0.111 0.000 0.782 1253 E HN 0.573 nan 8.360 nan 0.000 0.491 1254 S N 1.136 116.641 115.700 -0.325 0.000 2.406 1254 S HA 0.044 4.480 4.470 -0.056 0.000 0.228 1254 S C 2.079 176.457 174.600 -0.370 0.000 1.020 1254 S CA 0.651 58.578 58.200 -0.455 0.000 0.965 1254 S CB -0.186 62.609 63.200 -0.674 0.000 0.798 1254 S HN 0.208 nan 8.310 nan 0.000 0.488 1255 L N 0.991 122.045 121.223 -0.282 0.000 2.156 1255 L HA -0.096 4.210 4.340 -0.056 0.000 0.208 1255 L C 2.630 179.420 176.870 -0.133 0.000 1.095 1255 L CA 1.090 55.821 54.840 -0.181 0.000 0.770 1255 L CB -0.374 41.585 42.059 -0.166 0.000 0.914 1255 L HN 0.319 nan 8.230 nan 0.000 0.439 1256 Q N -0.849 118.867 119.800 -0.140 0.000 2.089 1256 Q HA -0.111 4.195 4.340 -0.056 0.000 0.195 1256 Q C 2.195 178.142 176.000 -0.087 0.000 0.963 1256 Q CA 1.868 57.614 55.803 -0.095 0.000 0.834 1256 Q CB 0.060 28.747 28.738 -0.085 0.000 0.906 1256 Q HN 0.552 nan 8.270 nan 0.000 0.452 1257 T N -3.141 111.346 114.554 -0.113 0.000 3.044 1257 T HA 0.076 4.392 4.350 -0.056 0.000 0.250 1257 T C 0.648 175.287 174.700 -0.102 0.000 1.081 1257 T CA 0.206 62.251 62.100 -0.092 0.000 1.040 1257 T CB 0.304 69.119 68.868 -0.088 0.000 0.962 1257 T HN 0.277 nan 8.240 nan 0.000 0.506 1258 Q N -0.579 119.125 119.800 -0.160 0.000 2.374 1258 Q HA -0.129 4.177 4.340 -0.056 0.000 0.218 1258 Q C -0.689 175.184 176.000 -0.212 0.000 0.691 1258 Q CA 0.842 56.548 55.803 -0.162 0.000 1.340 1258 Q CB -0.976 27.739 28.738 -0.039 0.000 1.498 1258 Q HN 0.397 nan 8.270 nan 0.000 0.739 1259 K N 0.349 120.600 120.400 -0.248 0.000 2.110 1259 K HA 0.588 4.874 4.320 -0.056 0.000 0.263 1259 K C -0.343 176.044 176.600 -0.354 0.000 0.975 1259 K CA -0.212 55.978 56.287 -0.161 0.000 0.895 1259 K CB 0.503 32.966 32.500 -0.061 0.000 1.060 1259 K HN -0.055 nan 8.250 nan 0.000 0.448 1260 F N 0.147 120.102 119.950 0.009 0.000 2.495 1260 F HA 0.404 4.898 4.527 -0.056 0.000 0.327 1260 F C 0.974 176.782 175.800 0.015 0.000 1.103 1260 F CA -0.543 57.468 58.000 0.017 0.000 0.949 1260 F CB 1.988 41.000 39.000 0.021 0.000 1.142 1260 F HN 0.529 nan 8.300 nan 0.000 0.457 1261 T N -2.591 112.078 114.554 0.191 0.000 2.742 1261 T HA 0.299 4.615 4.350 -0.056 0.000 0.282 1261 T C 0.715 175.508 174.700 0.154 0.000 1.025 1261 T CA -0.544 61.634 62.100 0.131 0.000 1.020 1261 T CB 1.354 70.272 68.868 0.084 0.000 1.317 1261 T HN 0.393 nan 8.240 nan 0.000 0.538 1262 T N 0.732 115.361 114.554 0.126 0.000 2.833 1262 T HA -0.034 4.282 4.350 -0.056 0.000 0.269 1262 T C 1.825 176.639 174.700 0.190 0.000 1.054 1262 T CA 0.880 63.085 62.100 0.175 0.000 1.135 1262 T CB -0.258 68.697 68.868 0.145 0.000 0.869 1262 T HN 0.436 nan 8.240 nan 0.000 0.466 1263 K N 1.601 122.078 120.400 0.128 0.000 2.097 1263 K HA -0.010 4.276 4.320 -0.056 0.000 0.205 1263 K C 2.719 179.434 176.600 0.193 0.000 1.050 1263 K CA 1.381 57.735 56.287 0.111 0.000 0.938 1263 K CB -0.549 32.000 32.500 0.083 0.000 0.718 1263 K HN 0.544 nan 8.250 nan 0.000 0.442 1264 S N 0.690 116.514 115.700 0.206 0.000 2.436 1264 S HA -0.071 4.365 4.470 -0.056 0.000 0.228 1264 S C 1.442 176.266 174.600 0.374 0.000 1.014 1264 S CA 0.726 59.080 58.200 0.257 0.000 0.950 1264 S CB -0.034 63.248 63.200 0.136 0.000 0.784 1264 S HN 0.088 nan 8.310 nan 0.000 0.504 1265 D N 1.888 122.505 120.400 0.361 0.000 2.149 1265 D HA -0.049 4.557 4.640 -0.056 0.000 0.198 1265 D C 1.997 178.621 176.300 0.539 0.000 0.990 1265 D CA 0.913 55.179 54.000 0.444 0.000 0.839 1265 D CB -0.434 40.622 40.800 0.427 0.000 0.948 1265 D HN 0.333 nan 8.370 nan 0.000 0.460 1266 V N 0.625 120.742 119.914 0.339 0.000 2.358 1266 V HA -0.188 3.899 4.120 -0.056 0.000 0.246 1266 V C 2.167 178.463 176.094 0.336 0.000 1.047 1266 V CA 1.194 63.552 62.300 0.097 0.000 1.035 1266 V CB -0.486 31.218 31.823 -0.199 0.000 0.658 1266 V HN 0.390 nan 8.190 nan 0.000 0.452 1267 W N 1.267 122.710 121.300 0.238 0.000 2.335 1267 W HA -0.218 4.408 4.660 -0.057 0.000 0.311 1267 W C 2.490 179.298 176.519 0.482 0.000 1.213 1267 W CA 2.233 59.806 57.345 0.381 0.000 1.274 1267 W CB -0.645 29.026 29.460 0.351 0.000 1.148 1267 W HN 0.317 nan 8.180 nan 0.000 0.498 1268 S N 0.525 116.718 115.700 0.823 0.000 2.368 1268 S HA -0.220 4.216 4.470 -0.056 0.000 0.225 1268 S C 1.571 176.541 174.600 0.618 0.000 1.030 1268 S CA 1.492 60.137 58.200 0.741 0.000 0.999 1268 S CB -1.040 62.531 63.200 0.618 0.000 0.844 1268 S HN 0.321 nan 8.310 nan 0.000 0.459 1269 F N 2.615 122.820 119.950 0.425 0.000 2.269 1269 F HA -0.013 4.480 4.527 -0.057 0.000 0.301 1269 F C 2.111 178.062 175.800 0.253 0.000 1.082 1269 F CA 1.101 59.308 58.000 0.345 0.000 1.360 1269 F CB -0.770 38.493 39.000 0.437 0.000 1.041 1269 F HN 0.205 nan 8.300 nan 0.000 0.512 1270 G N -0.189 108.730 108.800 0.199 0.000 2.408 1270 G HA2 -0.174 3.752 3.960 -0.056 0.000 0.217 1270 G HA3 -0.174 3.752 3.960 -0.056 0.000 0.217 1270 G C 1.695 176.758 174.900 0.271 0.000 1.150 1270 G CA 1.038 46.085 45.100 -0.088 0.000 0.776 1270 G HN 0.325 nan 8.290 nan 0.000 0.542 1271 V N 0.862 121.074 119.914 0.497 0.000 2.427 1271 V HA -0.100 3.986 4.120 -0.056 0.000 0.248 1271 V C 2.657 178.920 176.094 0.281 0.000 1.051 1271 V CA 1.491 63.980 62.300 0.314 0.000 1.048 1271 V CB -0.425 31.385 31.823 -0.021 0.000 0.666 1271 V HN 0.393 nan 8.190 nan 0.000 0.456 1272 L N -0.660 120.723 121.223 0.268 0.000 2.042 1272 L HA -0.194 4.112 4.340 -0.056 0.000 0.210 1272 L C 2.347 179.245 176.870 0.047 0.000 1.076 1272 L CA 1.711 56.669 54.840 0.198 0.000 0.749 1272 L CB -0.208 41.922 42.059 0.119 0.000 0.893 1272 L HN 0.232 nan 8.230 nan 0.000 0.432 1273 L N -1.498 119.645 121.223 -0.133 0.000 2.012 1273 L HA -0.283 4.023 4.340 -0.056 0.000 0.210 1273 L C 2.395 179.311 176.870 0.077 0.000 1.073 1273 L CA 2.062 56.827 54.840 -0.126 0.000 0.748 1273 L CB -0.736 41.176 42.059 -0.245 0.000 0.891 1273 L HN 0.541 nan 8.230 nan 0.000 0.431 1274 W N 1.349 122.657 121.300 0.014 0.000 2.325 1274 W HA -0.235 4.391 4.660 -0.056 0.000 0.299 1274 W C 2.409 178.940 176.519 0.019 0.000 1.215 1274 W CA 1.826 59.207 57.345 0.060 0.000 1.244 1274 W CB -0.017 29.513 29.460 0.117 0.000 1.140 1274 W HN 0.134 nan 8.180 nan 0.000 0.523 1275 E N 0.051 120.414 120.200 0.272 0.000 2.077 1275 E HA -0.259 4.058 4.350 -0.056 0.000 0.193 1275 E C 2.199 178.791 176.600 -0.012 0.000 0.989 1275 E CA 1.668 58.147 56.400 0.131 0.000 0.800 1275 E CB -0.642 29.208 29.700 0.250 0.000 0.746 1275 E HN 0.373 nan 8.360 nan 0.000 0.452 1276 L N 0.240 121.475 121.223 0.020 0.000 1.994 1276 L HA -0.198 4.108 4.340 -0.056 0.000 0.208 1276 L C 2.420 179.267 176.870 -0.039 0.000 1.071 1276 L CA 0.821 55.676 54.840 0.025 0.000 0.745 1276 L CB -0.256 41.832 42.059 0.049 0.000 0.892 1276 L HN 0.226 nan 8.230 nan 0.000 0.431 1277 M N -0.798 118.742 119.600 -0.100 0.000 2.476 1277 M HA -0.059 4.387 4.480 -0.056 0.000 0.262 1277 M C 2.157 178.340 176.300 -0.195 0.000 1.079 1277 M CA 1.415 56.644 55.300 -0.118 0.000 1.104 1277 M CB -1.572 30.966 32.600 -0.103 0.000 1.409 1277 M HN 0.366 nan 8.290 nan 0.000 0.467 1278 T N -3.158 111.173 114.554 -0.372 0.000 3.107 1278 T HA 0.210 4.526 4.350 -0.056 0.000 0.249 1278 T C 0.777 175.363 174.700 -0.189 0.000 1.096 1278 T CA -0.279 61.582 62.100 -0.399 0.000 1.012 1278 T CB -0.106 68.257 68.868 -0.841 0.000 0.977 1278 T HN 0.425 nan 8.240 nan 0.000 0.527 1279 R N 0.690 121.125 120.500 -0.109 0.000 3.336 1279 R HA -0.139 4.167 4.340 -0.056 0.000 0.260 1279 R C 0.968 177.262 176.300 -0.010 0.000 1.032 1279 R CA 0.362 56.449 56.100 -0.022 0.000 0.693 1279 R CB -2.223 28.072 30.300 -0.009 0.000 1.134 1279 R HN 0.925 nan 8.270 nan 0.000 0.433 1280 G N -1.884 106.905 108.800 -0.019 0.000 2.130 1280 G HA2 -0.201 3.725 3.960 -0.056 0.000 0.216 1280 G HA3 -0.201 3.725 3.960 -0.056 0.000 0.216 1280 G C 0.204 175.125 174.900 0.035 0.000 0.999 1280 G CA 0.097 45.218 45.100 0.035 0.000 0.686 1280 G HN 0.842 nan 8.290 nan 0.000 0.515 1281 A N 0.724 123.526 122.820 -0.030 0.000 2.407 1281 A HA 0.682 4.968 4.320 -0.056 0.000 0.248 1281 A C -1.153 176.546 177.584 0.191 0.000 1.082 1281 A CA -0.603 51.456 52.037 0.036 0.000 0.785 1281 A CB 0.330 19.286 19.000 -0.075 0.000 1.020 1281 A HN 0.306 nan 8.150 nan 0.000 0.489 1282 P HA 0.247 nan 4.420 nan 0.000 0.276 1282 P C -2.722 174.653 177.300 0.125 0.000 1.235 1282 P CA -1.225 61.964 63.100 0.148 0.000 0.772 1282 P CB 0.389 32.232 31.700 0.239 0.000 0.871 1283 P HA 0.021 nan 4.420 nan 0.000 0.271 1283 P C -0.431 176.593 177.300 -0.460 0.000 1.216 1283 P CA -0.022 62.632 63.100 -0.744 0.000 0.776 1283 P CB -0.021 31.003 31.700 -1.125 0.000 0.881 1284 Y N 0.464 120.488 120.300 -0.460 0.000 3.001 1284 Y HA -0.179 4.337 4.550 -0.056 0.000 0.207 1284 Y C -0.892 174.883 175.900 -0.209 0.000 1.231 1284 Y CA 0.088 57.965 58.100 -0.370 0.000 1.024 1284 Y CB -2.633 35.541 38.460 -0.477 0.000 1.267 1284 Y HN 0.457 nan 8.280 nan 0.000 0.501 1285 P HA -0.142 nan 4.420 nan 0.000 0.222 1285 P C 0.638 177.951 177.300 0.022 0.000 1.147 1285 P CA 1.678 64.806 63.100 0.047 0.000 0.790 1285 P CB 0.379 32.122 31.700 0.071 0.000 0.780 1286 D N -0.736 119.660 120.400 -0.007 0.000 2.368 1286 D HA 0.119 4.725 4.640 -0.056 0.000 0.218 1286 D C 0.075 176.338 176.300 -0.062 0.000 1.112 1286 D CA 0.045 54.037 54.000 -0.013 0.000 0.834 1286 D CB 0.719 41.524 40.800 0.007 0.000 0.953 1286 D HN 0.049 nan 8.370 nan 0.000 0.505 1287 V N 1.734 121.571 119.914 -0.127 0.000 2.370 1287 V HA 0.157 4.243 4.120 -0.056 0.000 0.283 1287 V C 0.543 176.563 176.094 -0.123 0.000 1.023 1287 V CA -1.127 61.043 62.300 -0.216 0.000 0.857 1287 V CB 1.857 33.356 31.823 -0.540 0.000 0.985 1287 V HN 0.073 nan 8.190 nan 0.000 0.443 1288 N N 2.708 121.371 118.700 -0.061 0.000 2.482 1288 N HA 0.009 4.715 4.740 -0.056 0.000 0.260 1288 N C 1.480 176.962 175.510 -0.047 0.000 1.236 1288 N CA 0.658 53.694 53.050 -0.023 0.000 0.938 1288 N CB 1.812 40.334 38.487 0.057 0.000 1.128 1288 N HN 0.842 nan 8.380 nan 0.000 0.448 1289 T N 0.507 115.023 114.554 -0.064 0.000 2.929 1289 T HA -0.096 4.220 4.350 -0.056 0.000 0.271 1289 T C 1.737 176.427 174.700 -0.016 0.000 1.085 1289 T CA 0.917 62.991 62.100 -0.043 0.000 1.125 1289 T CB -0.354 68.514 68.868 -0.001 0.000 0.874 1289 T HN 0.427 nan 8.240 nan 0.000 0.494 1290 F N 2.281 122.216 119.950 -0.026 0.000 2.269 1290 F HA 0.077 4.570 4.527 -0.056 0.000 0.301 1290 F C 1.810 177.564 175.800 -0.076 0.000 1.082 1290 F CA 0.441 58.371 58.000 -0.116 0.000 1.360 1290 F CB -0.359 38.541 39.000 -0.167 0.000 1.041 1290 F HN 0.226 nan 8.300 nan 0.000 0.512 1291 D N -1.327 119.136 120.400 0.105 0.000 2.433 1291 D HA 0.053 4.659 4.640 -0.056 0.000 0.211 1291 D C 2.182 178.479 176.300 -0.006 0.000 1.114 1291 D CA 0.099 54.127 54.000 0.048 0.000 0.837 1291 D CB 0.013 40.839 40.800 0.044 0.000 0.984 1291 D HN 0.181 nan 8.370 nan 0.000 0.505 1292 I N 1.004 121.529 120.570 -0.076 0.000 2.361 1292 I HA -0.224 3.912 4.170 -0.056 0.000 0.251 1292 I C 1.796 177.859 176.117 -0.090 0.000 1.133 1292 I CA 1.598 62.793 61.300 -0.175 0.000 1.413 1292 I CB -0.281 37.568 38.000 -0.252 0.000 1.073 1292 I HN -0.169 nan 8.210 nan 0.000 0.424 1293 T N -0.247 114.276 114.554 -0.052 0.000 2.701 1293 T HA -0.119 4.197 4.350 -0.056 0.000 0.263 1293 T C 2.026 176.719 174.700 -0.013 0.000 1.040 1293 T CA 1.804 63.876 62.100 -0.047 0.000 1.147 1293 T CB -0.520 68.324 68.868 -0.040 0.000 0.865 1293 T HN 0.199 nan 8.240 nan 0.000 0.426 1294 V N 0.484 120.404 119.914 0.010 0.000 2.287 1294 V HA -0.200 3.886 4.120 -0.056 0.000 0.248 1294 V C 2.013 178.128 176.094 0.035 0.000 1.053 1294 V CA 1.677 63.987 62.300 0.017 0.000 1.027 1294 V CB -0.768 31.069 31.823 0.023 0.000 0.646 1294 V HN 0.493 nan 8.190 nan 0.000 0.447 1295 Y N 0.250 120.502 120.300 -0.081 0.000 2.102 1295 Y HA -0.303 4.214 4.550 -0.056 0.000 0.280 1295 Y C 2.243 178.096 175.900 -0.077 0.000 1.178 1295 Y CA 2.020 60.064 58.100 -0.093 0.000 1.146 1295 Y CB -0.090 38.271 38.460 -0.166 0.000 0.968 1295 Y HN 0.158 nan 8.280 nan 0.000 0.504 1296 L N -1.066 120.186 121.223 0.048 0.000 2.131 1296 L HA -0.164 4.142 4.340 -0.056 0.000 0.206 1296 L C 2.331 179.205 176.870 0.008 0.000 1.087 1296 L CA 0.556 55.418 54.840 0.037 0.000 0.767 1296 L CB -0.483 41.624 42.059 0.081 0.000 0.917 1296 L HN 0.262 nan 8.230 nan 0.000 0.441 1297 L N -0.309 120.908 121.223 -0.011 0.000 2.079 1297 L HA -0.253 4.053 4.340 -0.056 0.000 0.210 1297 L C 2.450 179.302 176.870 -0.031 0.000 1.081 1297 L CA 1.404 56.236 54.840 -0.013 0.000 0.752 1297 L CB -0.312 41.736 42.059 -0.018 0.000 0.896 1297 L HN 0.363 nan 8.230 nan 0.000 0.433 1298 Q N -0.674 119.084 119.800 -0.069 0.000 2.515 1298 Q HA -0.010 4.296 4.340 -0.056 0.000 0.212 1298 Q C 1.450 177.386 176.000 -0.106 0.000 0.970 1298 Q CA 0.625 56.371 55.803 -0.093 0.000 0.941 1298 Q CB 0.183 28.840 28.738 -0.135 0.000 0.998 1298 Q HN 0.644 nan 8.270 nan 0.000 0.518 1299 G N 1.296 110.040 108.800 -0.092 0.000 2.176 1299 G HA2 -0.299 3.627 3.960 -0.056 0.000 0.253 1299 G HA3 -0.299 3.627 3.960 -0.056 0.000 0.253 1299 G C -0.003 174.825 174.900 -0.120 0.000 0.979 1299 G CA -0.154 44.905 45.100 -0.069 0.000 0.641 1299 G HN 0.235 nan 8.290 nan 0.000 0.530 1300 R N 0.168 120.511 120.500 -0.263 0.000 2.594 1300 R HA 0.662 4.968 4.340 -0.056 0.000 0.272 1300 R C 0.481 176.670 176.300 -0.184 0.000 1.074 1300 R CA 0.041 55.923 56.100 -0.362 0.000 1.105 1300 R CB 0.414 30.152 30.300 -0.937 0.000 1.008 1300 R HN 0.164 nan 8.270 nan 0.000 0.472 1301 R N 1.587 122.062 120.500 -0.041 0.000 2.774 1301 R HA 0.310 4.617 4.340 -0.056 0.000 0.272 1301 R C -0.720 175.564 176.300 -0.026 0.000 1.000 1301 R CA -1.136 54.944 56.100 -0.033 0.000 0.906 1301 R CB 0.876 31.174 30.300 -0.004 0.000 1.227 1301 R HN 0.445 nan 8.270 nan 0.000 0.468 1302 L N 2.538 123.529 121.223 -0.386 0.000 2.593 1302 L HA 0.016 4.322 4.340 -0.056 0.000 0.287 1302 L C 0.668 177.567 176.870 0.048 0.000 1.243 1302 L CA 0.409 54.925 54.840 -0.541 0.000 0.890 1302 L CB -0.168 41.079 42.059 -1.353 0.000 1.134 1302 L HN 0.252 nan 8.230 nan 0.000 0.502 1303 L N 2.828 124.134 121.223 0.140 0.000 2.466 1303 L HA 0.185 4.491 4.340 -0.056 0.000 0.257 1303 L C 0.583 177.571 176.870 0.196 0.000 1.189 1303 L CA -0.316 54.652 54.840 0.214 0.000 0.813 1303 L CB 0.472 42.600 42.059 0.115 0.000 1.118 1303 L HN 0.624 nan 8.230 nan 0.000 0.471 1304 Q N 1.869 121.422 119.800 -0.411 0.000 2.289 1304 Q HA 0.180 4.486 4.340 -0.056 0.000 0.273 1304 Q C -2.238 173.597 176.000 -0.275 0.000 1.029 1304 Q CA -1.458 53.861 55.803 -0.806 0.000 0.896 1304 Q CB 0.899 28.881 28.738 -1.261 0.000 1.182 1304 Q HN 0.252 nan 8.270 nan 0.000 0.385 1305 P HA -0.054 nan 4.420 nan 0.000 0.269 1305 P C -0.067 177.092 177.300 -0.234 0.000 1.209 1305 P CA 0.001 62.962 63.100 -0.231 0.000 0.776 1305 P CB 0.688 32.192 31.700 -0.326 0.000 0.876 1306 E N 1.173 121.195 120.200 -0.298 0.000 2.097 1306 E HA -0.246 4.070 4.350 -0.056 0.000 0.196 1306 E C 0.241 176.536 176.600 -0.510 0.000 1.000 1306 E CA 1.560 57.675 56.400 -0.475 0.000 0.804 1306 E CB -0.184 29.074 29.700 -0.736 0.000 0.740 1306 E HN 0.518 nan 8.360 nan 0.000 0.454 1307 Y N -0.868 119.381 120.300 -0.084 0.000 2.555 1307 Y HA 0.213 4.730 4.550 -0.056 0.000 0.259 1307 Y C 0.296 176.171 175.900 -0.042 0.000 1.179 1307 Y CA -0.714 57.355 58.100 -0.052 0.000 1.230 1307 Y CB 0.135 38.563 38.460 -0.054 0.000 1.146 1307 Y HN 0.047 nan 8.280 nan 0.000 0.526 1308 C N 5.363 124.677 119.300 0.024 0.000 2.482 1308 C HA 0.339 4.765 4.460 -0.056 0.000 0.378 1308 C C -1.857 173.172 174.990 0.066 0.000 1.284 1308 C CA -2.274 56.765 59.018 0.035 0.000 1.826 1308 C CB -0.414 27.329 27.740 0.004 0.000 2.473 1308 C HN 0.218 nan 8.230 nan 0.000 0.562 1309 P HA 0.116 nan 4.420 nan 0.000 0.268 1309 P C 0.300 177.673 177.300 0.122 0.000 1.205 1309 P CA 0.393 63.578 63.100 0.142 0.000 0.771 1309 P CB 0.660 32.502 31.700 0.237 0.000 0.858 1310 D N 3.504 123.962 120.400 0.098 0.000 2.133 1310 D HA -0.137 4.469 4.640 -0.056 0.000 0.195 1310 D C -0.577 175.799 176.300 0.127 0.000 0.997 1310 D CA 1.858 55.925 54.000 0.112 0.000 0.840 1310 D CB -1.804 39.040 40.800 0.074 0.000 0.947 1310 D HN 0.455 nan 8.370 nan 0.000 0.452 1311 P HA -0.077 nan 4.420 nan 0.000 0.221 1311 P C 1.770 179.115 177.300 0.074 0.000 1.150 1311 P CA 0.613 63.759 63.100 0.075 0.000 0.800 1311 P CB 0.123 31.865 31.700 0.069 0.000 0.787 1312 L N -1.395 119.891 121.223 0.105 0.000 2.109 1312 L HA -0.058 4.248 4.340 -0.056 0.000 0.207 1312 L C 2.561 179.477 176.870 0.076 0.000 1.086 1312 L CA 1.484 56.375 54.840 0.085 0.000 0.760 1312 L CB -1.505 40.614 42.059 0.099 0.000 0.910 1312 L HN -0.188 nan 8.230 nan 0.000 0.437 1313 Y N 0.782 121.076 120.300 -0.011 0.000 2.242 1313 Y HA -0.207 4.309 4.550 -0.057 0.000 0.291 1313 Y C 2.302 178.157 175.900 -0.075 0.000 1.137 1313 Y CA 1.848 59.933 58.100 -0.025 0.000 1.181 1313 Y CB -0.161 38.311 38.460 0.020 0.000 0.989 1313 Y HN 0.388 nan 8.280 nan 0.000 0.527 1314 E N -0.810 119.340 120.200 -0.082 0.000 2.049 1314 E HA -0.230 4.086 4.350 -0.056 0.000 0.198 1314 E C 2.253 178.716 176.600 -0.230 0.000 1.007 1314 E CA 1.950 58.254 56.400 -0.160 0.000 0.809 1314 E CB -0.467 29.203 29.700 -0.049 0.000 0.749 1314 E HN 0.293 nan 8.360 nan 0.000 0.450 1315 V N 1.405 121.222 119.914 -0.162 0.000 2.324 1315 V HA -0.328 3.758 4.120 -0.056 0.000 0.250 1315 V C 2.337 178.217 176.094 -0.356 0.000 1.060 1315 V CA 1.919 64.115 62.300 -0.174 0.000 1.042 1315 V CB -0.484 31.296 31.823 -0.072 0.000 0.650 1315 V HN 0.318 nan 8.190 nan 0.000 0.450 1316 M N -0.873 118.437 119.600 -0.485 0.000 2.065 1316 M HA -0.208 4.238 4.480 -0.056 0.000 0.259 1316 M C 2.225 177.726 176.300 -1.332 0.000 1.069 1316 M CA 2.030 56.759 55.300 -0.952 0.000 1.110 1316 M CB -0.565 31.535 32.600 -0.833 0.000 1.328 1316 M HN 0.261 nan 8.290 nan 0.000 0.405 1317 L N -0.084 120.582 121.223 -0.929 0.000 2.079 1317 L HA -0.234 4.072 4.340 -0.056 0.000 0.210 1317 L C 2.377 178.943 176.870 -0.507 0.000 1.081 1317 L CA 1.355 55.794 54.840 -0.670 0.000 0.752 1317 L CB -0.626 41.124 42.059 -0.515 0.000 0.896 1317 L HN 0.315 nan 8.230 nan 0.000 0.433 1318 K N -0.825 119.356 120.400 -0.364 0.000 2.147 1318 K HA -0.141 4.145 4.320 -0.056 0.000 0.205 1318 K C 2.090 178.609 176.600 -0.135 0.000 1.049 1318 K CA 1.334 57.571 56.287 -0.083 0.000 0.936 1318 K CB -0.317 32.143 32.500 -0.066 0.000 0.722 1318 K HN 0.354 nan 8.250 nan 0.000 0.446 1319 C N -0.164 118.869 119.300 -0.445 0.000 2.432 1319 C HA -0.047 4.380 4.460 -0.056 0.000 0.282 1319 C C 1.199 175.932 174.990 -0.428 0.000 1.388 1319 C CA 0.011 58.758 59.018 -0.452 0.000 1.777 1319 C CB -0.704 26.657 27.740 -0.632 0.000 1.882 1319 C HN 0.575 nan 8.230 nan 0.000 0.520 1320 W N -0.355 120.683 121.300 -0.437 0.000 3.067 1320 W HA 0.320 4.946 4.660 -0.057 0.000 0.417 1320 W C 0.499 176.848 176.519 -0.284 0.000 1.029 1320 W CA -1.141 55.716 57.345 -0.813 0.000 1.992 1320 W CB -1.689 27.048 29.460 -1.206 0.000 1.122 1320 W HN 0.437 nan 8.180 nan 0.000 0.681 1321 H N 2.955 122.055 119.070 0.050 0.000 3.094 1321 H HA -0.050 4.472 4.556 -0.057 0.000 0.320 1321 H C -0.808 174.660 175.328 0.233 0.000 1.000 1321 H CA 0.319 56.428 56.048 0.102 0.000 1.413 1321 H CB 0.950 30.737 29.762 0.042 0.000 1.405 1321 H HN -0.187 nan 8.280 nan 0.000 0.586 1322 P HA -0.153 nan 4.420 nan 0.000 0.218 1322 P C -0.143 177.283 177.300 0.210 0.000 1.149 1322 P CA 1.219 64.483 63.100 0.272 0.000 0.817 1322 P CB 0.410 32.215 31.700 0.175 0.000 0.785 1323 K N 0.450 120.967 120.400 0.197 0.000 2.310 1323 K HA 0.322 4.608 4.320 -0.056 0.000 0.290 1323 K C 1.365 178.031 176.600 0.111 0.000 1.077 1323 K CA -0.113 56.243 56.287 0.115 0.000 0.922 1323 K CB 0.770 33.309 32.500 0.064 0.000 1.057 1323 K HN -0.067 nan 8.250 nan 0.000 0.479 1324 A N 3.757 126.634 122.820 0.095 0.000 1.908 1324 A HA -0.195 4.092 4.320 -0.056 0.000 0.218 1324 A C 1.647 179.261 177.584 0.050 0.000 1.181 1324 A CA 1.748 53.842 52.037 0.096 0.000 0.627 1324 A CB -0.229 18.811 19.000 0.067 0.000 0.818 1324 A HN 0.787 nan 8.150 nan 0.000 0.445 1325 E N -0.742 119.468 120.200 0.017 0.000 2.482 1325 E HA -0.066 4.250 4.350 -0.056 0.000 0.196 1325 E C 1.102 177.671 176.600 -0.053 0.000 1.047 1325 E CA 0.522 56.914 56.400 -0.014 0.000 0.869 1325 E CB -0.258 29.433 29.700 -0.015 0.000 0.836 1325 E HN 0.511 nan 8.360 nan 0.000 0.520 1326 M N 1.206 120.761 119.600 -0.076 0.000 2.495 1326 M HA 0.179 4.625 4.480 -0.056 0.000 0.237 1326 M C 0.429 176.593 176.300 -0.226 0.000 1.131 1326 M CA 0.232 55.406 55.300 -0.210 0.000 1.032 1326 M CB -0.092 32.303 32.600 -0.342 0.000 1.513 1326 M HN -0.030 nan 8.290 nan 0.000 0.488 1327 R N 1.687 122.143 120.500 -0.074 0.000 2.404 1327 R HA 0.417 4.723 4.340 -0.056 0.000 0.291 1327 R C -2.301 173.945 176.300 -0.090 0.000 1.025 1327 R CA -1.669 54.408 56.100 -0.038 0.000 0.991 1327 R CB 0.162 30.484 30.300 0.036 0.000 1.053 1327 R HN 0.001 nan 8.270 nan 0.000 0.479 1328 P HA -0.044 nan 4.420 nan 0.000 0.271 1328 P C -0.187 176.992 177.300 -0.202 0.000 1.233 1328 P CA -0.194 62.823 63.100 -0.138 0.000 0.789 1328 P CB 0.645 32.266 31.700 -0.131 0.000 0.951 1329 S N 0.029 115.628 115.700 -0.169 0.000 2.669 1329 S HA 0.254 4.690 4.470 -0.056 0.000 0.270 1329 S C 0.956 175.401 174.600 -0.259 0.000 1.225 1329 S CA -0.331 57.758 58.200 -0.185 0.000 0.991 1329 S CB -0.040 63.117 63.200 -0.071 0.000 0.987 1329 S HN 0.222 nan 8.310 nan 0.000 0.552 1330 F N 0.698 120.580 119.950 -0.113 0.000 2.325 1330 F HA 0.059 4.552 4.527 -0.056 0.000 0.299 1330 F C 2.867 178.584 175.800 -0.138 0.000 1.090 1330 F CA 0.980 58.869 58.000 -0.184 0.000 1.392 1330 F CB -0.767 38.100 39.000 -0.222 0.000 1.053 1330 F HN 0.578 nan 8.300 nan 0.000 0.521 1331 S N -0.164 115.572 115.700 0.059 0.000 2.348 1331 S HA -0.200 4.236 4.470 -0.056 0.000 0.221 1331 S C 2.005 176.606 174.600 0.001 0.000 1.033 1331 S CA 1.487 59.701 58.200 0.024 0.000 1.010 1331 S CB -0.243 62.965 63.200 0.012 0.000 0.891 1331 S HN 0.428 nan 8.310 nan 0.000 0.442 1332 E N 0.761 120.945 120.200 -0.027 0.000 2.070 1332 E HA -0.171 4.145 4.350 -0.056 0.000 0.197 1332 E C 2.121 178.706 176.600 -0.025 0.000 1.004 1332 E CA 1.260 57.640 56.400 -0.033 0.000 0.805 1332 E CB -0.356 29.307 29.700 -0.061 0.000 0.744 1332 E HN 0.411 nan 8.360 nan 0.000 0.451 1333 L N 0.547 121.739 121.223 -0.052 0.000 2.012 1333 L HA -0.212 4.095 4.340 -0.056 0.000 0.210 1333 L C 2.555 179.444 176.870 0.031 0.000 1.073 1333 L CA 0.848 55.676 54.840 -0.020 0.000 0.748 1333 L CB -0.561 41.434 42.059 -0.107 0.000 0.891 1333 L HN 0.053 nan 8.230 nan 0.000 0.431 1334 V N -0.850 119.077 119.914 0.023 0.000 2.332 1334 V HA -0.319 3.767 4.120 -0.056 0.000 0.248 1334 V C 2.602 178.721 176.094 0.042 0.000 1.055 1334 V CA 2.082 64.403 62.300 0.035 0.000 1.038 1334 V CB -0.425 31.414 31.823 0.027 0.000 0.651 1334 V HN 0.379 nan 8.190 nan 0.000 0.450 1335 S N -0.715 115.005 115.700 0.034 0.000 2.343 1335 S HA -0.178 4.258 4.470 -0.056 0.000 0.219 1335 S C 2.105 176.734 174.600 0.050 0.000 1.033 1335 S CA 1.571 59.793 58.200 0.037 0.000 1.014 1335 S CB -0.294 62.920 63.200 0.024 0.000 0.915 1335 S HN 0.515 nan 8.310 nan 0.000 0.435 1336 R N 0.473 120.999 120.500 0.043 0.000 2.080 1336 R HA -0.034 4.272 4.340 -0.056 0.000 0.236 1336 R C 2.255 178.605 176.300 0.083 0.000 1.137 1336 R CA 1.571 57.702 56.100 0.052 0.000 0.943 1336 R CB -0.558 29.762 30.300 0.035 0.000 0.846 1336 R HN 0.387 nan 8.270 nan 0.000 0.431 1337 I N 0.015 120.644 120.570 0.098 0.000 2.394 1337 I HA -0.250 3.886 4.170 -0.056 0.000 0.251 1337 I C 2.567 178.773 176.117 0.148 0.000 1.136 1337 I CA 0.909 62.287 61.300 0.130 0.000 1.425 1337 I CB -0.212 37.880 38.000 0.154 0.000 1.079 1337 I HN 0.153 nan 8.210 nan 0.000 0.425 1338 S N 0.455 116.225 115.700 0.116 0.000 2.368 1338 S HA -0.193 4.243 4.470 -0.056 0.000 0.225 1338 S C 2.255 176.964 174.600 0.181 0.000 1.030 1338 S CA 1.461 59.742 58.200 0.136 0.000 0.999 1338 S CB -0.201 63.050 63.200 0.086 0.000 0.844 1338 S HN 0.489 nan 8.310 nan 0.000 0.459 1339 A N 1.374 124.272 122.820 0.130 0.000 1.883 1339 A HA -0.044 4.242 4.320 -0.056 0.000 0.217 1339 A C 2.097 179.766 177.584 0.140 0.000 1.186 1339 A CA 1.613 53.718 52.037 0.112 0.000 0.624 1339 A CB -0.776 18.270 19.000 0.077 0.000 0.822 1339 A HN 0.623 nan 8.150 nan 0.000 0.444 1340 I N -2.060 118.610 120.570 0.168 0.000 2.315 1340 I HA -0.189 3.948 4.170 -0.056 0.000 0.248 1340 I C 2.318 178.623 176.117 0.312 0.000 1.117 1340 I CA 1.228 62.653 61.300 0.208 0.000 1.404 1340 I CB -0.301 37.819 38.000 0.199 0.000 1.071 1340 I HN 0.431 nan 8.210 nan 0.000 0.419 1341 F N 2.173 122.208 119.950 0.141 0.000 2.134 1341 F HA -0.253 4.240 4.527 -0.057 0.000 0.299 1341 F C 2.754 178.664 175.800 0.182 0.000 1.097 1341 F CA 1.754 59.830 58.000 0.128 0.000 1.264 1341 F CB -0.350 38.672 39.000 0.037 0.000 1.001 1341 F HN 0.067 nan 8.300 nan 0.000 0.479 1342 S N -0.941 114.850 115.700 0.150 0.000 2.399 1342 S HA -0.233 4.203 4.470 -0.056 0.000 0.231 1342 S C 1.998 176.580 174.600 -0.031 0.000 1.022 1342 S CA 1.390 59.609 58.200 0.031 0.000 0.983 1342 S CB -1.743 61.508 63.200 0.085 0.000 0.803 1342 S HN 0.608 nan 8.310 nan 0.000 0.480 1343 T N -1.531 113.026 114.554 0.005 0.000 3.077 1343 T HA 0.068 4.385 4.350 -0.056 0.000 0.269 1343 T C 1.034 175.572 174.700 -0.270 0.000 1.146 1343 T CA 0.621 62.654 62.100 -0.110 0.000 1.091 1343 T CB -0.674 68.120 68.868 -0.124 0.000 0.892 1343 T HN 0.401 nan 8.240 nan 0.000 0.533 1344 F N 1.315 121.124 119.950 -0.235 0.000 2.678 1344 F HA 0.624 5.117 4.527 -0.056 0.000 0.291 1344 F C 1.331 176.944 175.800 -0.313 0.000 1.123 1344 F CA 0.424 58.254 58.000 -0.283 0.000 1.395 1344 F CB 0.697 39.469 39.000 -0.380 0.000 1.121 1344 F HN 0.349 nan 8.300 nan 0.000 0.592 1345 I N 0.000 120.462 120.570 -0.180 0.000 2.984 1345 I HA 0.000 4.136 4.170 -0.056 0.000 0.288 1345 I CA 0.000 nan 61.300 nan 0.000 1.566 1345 I CB 0.000 nan 38.000 nan 0.000 1.214 1345 I HN 0.000 nan 8.210 nan 0.000 0.494