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 3c1x_1_A DATA FIRST_RESID 1050 DATA SEQUENCE TVHIDLSALN PELVQAVQHV VIGPSSLIVH FNEVIGRGHF GCVYHGTLLD DATA SEQUENCE NDGKKIHCAV KSLNRITDIG EVSQFLTEGI IMKDFSHPNV LSLLGICLRS DATA SEQUENCE EGSPLVVLPY MKHGDLRNFI RNETHNPTVK DLIGFGLQVA KGMKFLASKK DATA SEQUENCE FVHRDLAARN CMLDEKFTVK VADFXXXXXX XXXXXXXXXX XXXXXLPVKW DATA SEQUENCE MALESLQTQK FTTKSDVWSF GVLLWELMTR GAPPYPDVNT FDITVYLLQG DATA SEQUENCE RRLLQPEYCP DPLYEVMLKC WHPKAEMRPS FSELVSRISA IFSTFIGEHY DATA SEQUENCE VHVNATYVNV K 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 1050 T HA 0.000 nan 4.350 nan 0.000 0.228 1050 T C 0.000 174.526 174.700 -0.290 0.000 1.109 1050 T CA 0.000 61.995 62.100 -0.175 0.000 1.349 1050 T CB 0.000 68.770 68.868 -0.164 0.000 0.612 1051 V N 3.890 123.658 119.914 -0.244 0.000 2.863 1051 V HA 0.507 4.626 4.120 -0.002 0.000 0.307 1051 V C 0.488 176.373 176.094 -0.348 0.000 1.061 1051 V CA -0.227 61.925 62.300 -0.248 0.000 1.024 1051 V CB 1.347 33.103 31.823 -0.112 0.000 1.049 1051 V HN 0.940 nan 8.190 nan 0.000 0.471 1052 H N 4.521 123.574 119.070 -0.028 0.000 2.640 1052 H HA 0.441 4.995 4.556 -0.002 0.000 0.312 1052 H C -0.027 175.287 175.328 -0.025 0.000 1.110 1052 H CA 0.023 56.057 56.048 -0.024 0.000 1.098 1052 H CB 0.038 29.786 29.762 -0.023 0.000 1.485 1052 H HN 0.501 nan 8.280 nan 0.000 0.526 1053 I N -1.241 119.341 120.570 0.020 0.000 2.582 1053 I HA 0.269 4.438 4.170 -0.002 0.000 0.292 1053 I C -0.909 175.201 176.117 -0.010 0.000 1.066 1053 I CA -1.158 60.146 61.300 0.008 0.000 1.053 1053 I CB 1.936 39.933 38.000 -0.006 0.000 1.241 1053 I HN -0.116 nan 8.210 nan 0.000 0.421 1054 D N 6.307 126.704 120.400 -0.006 0.000 2.416 1054 D HA 0.097 4.736 4.640 -0.002 0.000 0.240 1054 D C 0.584 176.874 176.300 -0.015 0.000 1.250 1054 D CA 0.012 54.006 54.000 -0.010 0.000 0.967 1054 D CB 0.634 41.430 40.800 -0.006 0.000 1.059 1054 D HN 0.536 nan 8.370 nan 0.000 0.512 1055 L N 2.473 123.684 121.223 -0.021 0.000 2.209 1055 L HA 0.034 4.374 4.340 -0.002 0.000 0.207 1055 L C 2.174 179.033 176.870 -0.019 0.000 1.094 1055 L CA 0.968 55.795 54.840 -0.021 0.000 0.790 1055 L CB -0.896 41.147 42.059 -0.026 0.000 0.932 1055 L HN 0.311 nan 8.230 nan 0.000 0.447 1056 S N -0.682 115.007 115.700 -0.019 0.000 2.603 1056 S HA 0.042 4.511 4.470 -0.002 0.000 0.229 1056 S C 1.686 176.277 174.600 -0.015 0.000 0.972 1056 S CA 0.645 58.835 58.200 -0.018 0.000 0.935 1056 S CB -0.125 63.064 63.200 -0.018 0.000 0.769 1056 S HN 0.418 nan 8.310 nan 0.000 0.536 1057 A N 0.424 123.235 122.820 -0.014 0.000 2.302 1057 A HA 0.359 4.678 4.320 -0.002 0.000 0.219 1057 A C 1.210 178.786 177.584 -0.012 0.000 1.243 1057 A CA -0.089 51.941 52.037 -0.012 0.000 0.856 1057 A CB -0.192 18.801 19.000 -0.011 0.000 0.893 1057 A HN 0.429 nan 8.150 nan 0.000 0.491 1058 L N -0.532 120.683 121.223 -0.014 0.000 2.239 1058 L HA -0.024 4.315 4.340 -0.002 0.000 0.214 1058 L C 0.269 177.131 176.870 -0.013 0.000 1.144 1058 L CA 0.606 55.438 54.840 -0.013 0.000 2.496 1058 L CB -0.137 41.914 42.059 -0.014 0.000 2.295 1058 L HN 0.406 nan 8.230 nan 0.000 0.967 1059 N N -0.441 118.250 118.700 -0.015 0.000 2.844 1059 N HA 0.167 4.906 4.740 -0.002 0.000 0.268 1059 N C -2.169 173.331 175.510 -0.017 0.000 1.574 1059 N CA -1.046 51.995 53.050 -0.014 0.000 0.838 1059 N CB 0.633 39.112 38.487 -0.013 0.000 1.177 1059 N HN 0.133 nan 8.380 nan 0.000 0.495 1060 P HA -0.292 nan 4.420 nan 0.000 0.211 1060 P C 0.790 178.080 177.300 -0.017 0.000 0.906 1060 P CA 1.426 64.515 63.100 -0.018 0.000 1.017 1060 P CB 0.353 32.045 31.700 -0.013 0.000 0.717 1061 E N -0.941 119.253 120.200 -0.010 0.000 2.431 1061 E HA -0.001 4.348 4.350 -0.002 0.000 0.208 1061 E C 1.235 177.832 176.600 -0.005 0.000 1.299 1061 E CA 0.203 56.600 56.400 -0.005 0.000 1.080 1061 E CB -1.332 28.367 29.700 -0.001 0.000 1.114 1061 E HN 0.271 nan 8.360 nan 0.000 0.489 1062 L N -1.819 119.397 121.223 -0.011 0.000 2.865 1062 L HA 0.122 4.461 4.340 -0.002 0.000 0.167 1062 L C 0.311 177.169 176.870 -0.021 0.000 1.135 1062 L CA 0.121 54.955 54.840 -0.011 0.000 0.895 1062 L CB 0.532 42.585 42.059 -0.011 0.000 1.643 1062 L HN -0.000 nan 8.230 nan 0.000 0.518 1063 V N 0.537 120.432 119.914 -0.030 0.000 3.023 1063 V HA 0.124 4.244 4.120 -0.002 0.000 0.384 1063 V C 0.733 176.783 176.094 -0.072 0.000 1.289 1063 V CA -0.088 62.184 62.300 -0.046 0.000 1.383 1063 V CB -0.273 31.529 31.823 -0.035 0.000 1.388 1063 V HN 0.592 nan 8.190 nan 0.000 0.551 1064 Q N 1.254 121.005 119.800 -0.082 0.000 2.408 1064 Q HA 0.333 4.672 4.340 -0.002 0.000 0.205 1064 Q C 1.757 177.606 176.000 -0.252 0.000 0.919 1064 Q CA 1.189 56.924 55.803 -0.114 0.000 0.932 1064 Q CB -0.286 28.412 28.738 -0.066 0.000 1.058 1064 Q HN 0.493 nan 8.270 nan 0.000 0.517 1065 A N 0.643 123.292 122.820 -0.286 0.000 2.235 1065 A HA 0.106 4.425 4.320 -0.002 0.000 0.208 1065 A C 1.658 178.866 177.584 -0.627 0.000 1.172 1065 A CA 0.493 52.111 52.037 -0.699 0.000 0.786 1065 A CB -0.354 18.628 19.000 -0.031 0.000 0.804 1065 A HN 0.217 nan 8.150 nan 0.000 0.479 1066 V N -0.535 119.192 119.914 -0.311 0.000 3.217 1066 V HA -0.169 3.951 4.120 -0.002 0.000 0.264 1066 V C 2.404 178.396 176.094 -0.170 0.000 1.135 1066 V CA 1.957 64.152 62.300 -0.175 0.000 1.142 1066 V CB -0.327 31.440 31.823 -0.094 0.000 0.754 1066 V HN 0.723 nan 8.190 nan 0.000 0.484 1067 Q N 0.582 120.227 119.800 -0.259 0.000 2.107 1067 Q HA -0.097 4.242 4.340 -0.002 0.000 0.195 1067 Q C 2.096 178.045 176.000 -0.085 0.000 0.964 1067 Q CA 1.287 57.001 55.803 -0.148 0.000 0.833 1067 Q CB -0.241 28.423 28.738 -0.123 0.000 0.910 1067 Q HN 0.879 nan 8.270 nan 0.000 0.465 1068 H N -1.450 117.613 119.070 -0.011 0.000 2.566 1068 H HA 0.080 4.635 4.556 -0.001 0.000 0.277 1068 H C 0.435 175.754 175.328 -0.015 0.000 1.046 1068 H CA 0.533 56.574 56.048 -0.012 0.000 1.172 1068 H CB 0.315 30.070 29.762 -0.012 0.000 1.319 1068 H HN 0.130 nan 8.280 nan 0.000 0.621 1069 V N 0.190 120.184 119.914 0.133 0.000 3.426 1069 V HA 0.033 4.152 4.120 -0.002 0.000 0.271 1069 V C 0.995 177.110 176.094 0.034 0.000 1.530 1069 V CA -0.178 62.180 62.300 0.097 0.000 1.021 1069 V CB 1.160 33.038 31.823 0.092 0.000 0.824 1069 V HN 0.105 nan 8.190 nan 0.000 0.432 1070 V N 3.375 123.297 119.914 0.013 0.000 2.872 1070 V HA 0.096 4.216 4.120 -0.002 0.000 0.307 1070 V C -0.013 176.091 176.094 0.015 0.000 1.072 1070 V CA 0.696 63.001 62.300 0.008 0.000 1.148 1070 V CB 1.042 32.863 31.823 -0.004 0.000 0.954 1070 V HN 0.330 nan 8.190 nan 0.000 0.490 1071 I N 3.698 124.277 120.570 0.015 0.000 2.521 1071 I HA 0.344 4.513 4.170 -0.002 0.000 0.277 1071 I C 0.720 176.845 176.117 0.014 0.000 1.054 1071 I CA -0.367 60.942 61.300 0.015 0.000 1.117 1071 I CB 0.666 38.675 38.000 0.015 0.000 1.217 1071 I HN 0.691 nan 8.210 nan 0.000 0.469 1072 G N 6.527 115.334 108.800 0.011 0.000 2.351 1072 G HA2 0.013 3.972 3.960 -0.002 0.000 0.231 1072 G HA3 0.013 3.972 3.960 -0.002 0.000 0.231 1072 G C -1.563 173.343 174.900 0.010 0.000 1.163 1072 G CA -0.329 44.776 45.100 0.009 0.000 0.861 1072 G HN 0.493 nan 8.290 nan 0.000 0.500 1073 P HA -0.062 nan 4.420 nan 0.000 0.226 1073 P C 1.307 178.611 177.300 0.006 0.000 1.146 1073 P CA 1.117 64.224 63.100 0.012 0.000 0.773 1073 P CB 0.165 31.875 31.700 0.016 0.000 0.772 1074 S N -1.365 114.338 115.700 0.005 0.000 2.967 1074 S HA 0.169 4.638 4.470 -0.002 0.000 0.254 1074 S C 0.683 175.284 174.600 0.002 0.000 1.089 1074 S CA 0.340 58.541 58.200 0.003 0.000 1.183 1074 S CB -1.074 62.128 63.200 0.003 0.000 0.848 1074 S HN 0.222 nan 8.310 nan 0.000 0.477 1075 S N -0.926 114.774 115.700 -0.000 0.000 2.436 1075 S HA 0.116 4.585 4.470 -0.002 0.000 0.207 1075 S C -0.629 173.967 174.600 -0.007 0.000 0.847 1075 S CA -0.648 57.551 58.200 -0.001 0.000 1.623 1075 S CB -0.558 62.644 63.200 0.003 0.000 1.267 1075 S HN 0.415 nan 8.310 nan 0.000 0.591 1076 L N 2.810 124.025 121.223 -0.013 0.000 2.349 1076 L HA 0.753 5.092 4.340 -0.002 0.000 0.278 1076 L C -1.388 175.442 176.870 -0.067 0.000 0.996 1076 L CA -0.718 54.105 54.840 -0.029 0.000 0.825 1076 L CB 1.060 43.110 42.059 -0.015 0.000 1.243 1076 L HN 0.276 nan 8.230 nan 0.000 0.412 1077 I N 5.937 126.436 120.570 -0.118 0.000 2.339 1077 I HA 0.464 4.633 4.170 -0.002 0.000 0.290 1077 I C -0.566 175.271 176.117 -0.467 0.000 0.994 1077 I CA -0.956 60.208 61.300 -0.226 0.000 1.191 1077 I CB 1.643 39.537 38.000 -0.178 0.000 1.343 1077 I HN 0.284 nan 8.210 nan 0.000 0.458 1078 V N 5.248 124.831 119.914 -0.551 0.000 2.532 1078 V HA 0.303 4.422 4.120 -0.002 0.000 0.295 1078 V C -0.053 175.382 176.094 -1.097 0.000 1.041 1078 V CA -0.668 61.145 62.300 -0.812 0.000 0.926 1078 V CB 1.394 32.728 31.823 -0.814 0.000 0.992 1078 V HN 0.606 nan 8.190 nan 0.000 0.457 1079 H N 4.941 123.698 119.070 -0.522 0.000 2.486 1079 H HA 0.270 4.825 4.556 -0.001 0.000 0.239 1079 H C 0.278 175.350 175.328 -0.427 0.000 1.480 1079 H CA -0.509 55.313 56.048 -0.377 0.000 1.324 1079 H CB 0.154 29.837 29.762 -0.130 0.000 1.486 1079 H HN 0.630 nan 8.280 nan 0.000 0.544 1080 F N 1.284 121.101 119.950 -0.222 0.000 2.449 1080 F HA -0.191 4.335 4.527 -0.001 0.000 0.299 1080 F C 2.000 177.611 175.800 -0.316 0.000 1.092 1080 F CA 1.076 58.726 58.000 -0.583 0.000 1.446 1080 F CB -0.557 38.169 39.000 -0.457 0.000 1.084 1080 F HN 0.490 nan 8.300 nan 0.000 0.567 1081 N N 0.338 119.064 118.700 0.044 0.000 2.376 1081 N HA -0.081 4.658 4.740 -0.002 0.000 0.177 1081 N C 0.096 175.673 175.510 0.112 0.000 1.024 1081 N CA 0.431 53.527 53.050 0.076 0.000 0.893 1081 N CB -0.287 38.238 38.487 0.064 0.000 0.980 1081 N HN 0.227 nan 8.380 nan 0.000 0.439 1082 E N 1.336 121.627 120.200 0.151 0.000 2.035 1082 E HA 0.176 4.525 4.350 -0.002 0.000 0.271 1082 E C -0.985 175.874 176.600 0.432 0.000 0.953 1082 E CA -0.755 55.785 56.400 0.233 0.000 0.777 1082 E CB 1.530 31.324 29.700 0.157 0.000 1.104 1082 E HN 0.252 nan 8.360 nan 0.000 0.408 1083 V N 3.187 123.343 119.914 0.403 0.000 2.364 1083 V HA 0.269 4.388 4.120 -0.002 0.000 0.272 1083 V C 1.085 177.322 176.094 0.238 0.000 1.036 1083 V CA -0.383 62.162 62.300 0.408 0.000 0.880 1083 V CB 0.267 32.314 31.823 0.374 0.000 0.991 1083 V HN 0.725 nan 8.190 nan 0.000 0.460 1084 I N 2.309 122.964 120.570 0.142 0.000 2.353 1084 I HA 0.553 4.722 4.170 -0.002 0.000 0.248 1084 I C 1.003 177.151 176.117 0.052 0.000 1.119 1084 I CA 1.050 62.396 61.300 0.077 0.000 1.417 1084 I CB -0.255 37.702 38.000 -0.071 0.000 1.078 1084 I HN 0.886 nan 8.210 nan 0.000 0.421 1085 G N 1.775 110.592 108.800 0.029 0.000 2.341 1085 G HA2 0.221 4.180 3.960 -0.002 0.000 0.300 1085 G HA3 0.221 4.180 3.960 -0.002 0.000 0.300 1085 G C -1.316 173.635 174.900 0.084 0.000 1.706 1085 G CA -0.883 44.246 45.100 0.049 0.000 0.916 1085 G HN 0.313 nan 8.290 nan 0.000 0.716 1086 R N 1.718 122.274 120.500 0.093 0.000 2.332 1086 R HA 0.486 4.825 4.340 -0.002 0.000 0.306 1086 R C 1.442 177.830 176.300 0.146 0.000 1.117 1086 R CA 0.163 56.322 56.100 0.099 0.000 1.108 1086 R CB 0.288 30.616 30.300 0.047 0.000 1.126 1086 R HN 0.813 nan 8.270 nan 0.000 0.548 1087 G N 1.983 110.956 108.800 0.289 0.000 2.631 1087 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.219 1087 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.219 1087 G C 0.862 175.789 174.900 0.045 0.000 1.214 1087 G CA 1.268 46.526 45.100 0.263 0.000 0.785 1087 G HN 0.759 nan 8.290 nan 0.000 0.596 1088 H N -3.957 115.057 119.070 -0.093 0.000 1.829 1088 H HA 0.066 4.621 4.556 -0.001 0.000 0.119 1088 H C -0.060 175.240 175.328 -0.046 0.000 0.952 1088 H CA -0.358 55.616 56.048 -0.123 0.000 0.460 1088 H CB -0.164 29.447 29.762 -0.252 0.000 0.358 1088 H HN 0.210 nan 8.280 nan 0.000 0.238 1089 F N 1.666 121.632 119.950 0.027 0.000 2.850 1089 F HA 0.643 5.170 4.527 -0.001 0.000 0.306 1089 F C 0.855 176.649 175.800 -0.009 0.000 1.162 1089 F CA 0.548 58.542 58.000 -0.010 0.000 1.327 1089 F CB 0.916 39.888 39.000 -0.047 0.000 0.953 1089 F HN 0.322 nan 8.300 nan 0.000 0.507 1090 G N -0.921 107.984 108.800 0.177 0.000 2.361 1090 G HA2 0.291 4.250 3.960 -0.002 0.000 0.299 1090 G HA3 0.291 4.250 3.960 -0.002 0.000 0.299 1090 G C -2.002 172.925 174.900 0.044 0.000 1.544 1090 G CA -0.822 44.336 45.100 0.097 0.000 0.860 1090 G HN 0.003 nan 8.290 nan 0.000 0.610 1091 C N 0.540 119.832 119.300 -0.015 0.000 2.341 1091 C HA 0.786 5.245 4.460 -0.002 0.000 0.338 1091 C C 0.414 175.162 174.990 -0.403 0.000 1.257 1091 C CA -0.266 58.629 59.018 -0.206 0.000 1.883 1091 C CB 0.420 28.037 27.740 -0.205 0.000 2.334 1091 C HN 0.683 nan 8.230 nan 0.000 0.524 1092 V N 5.353 124.992 119.914 -0.457 0.000 2.487 1092 V HA 0.538 4.657 4.120 -0.002 0.000 0.298 1092 V C -0.962 174.859 176.094 -0.455 0.000 1.028 1092 V CA -0.594 61.509 62.300 -0.330 0.000 0.860 1092 V CB 0.770 32.581 31.823 -0.019 0.000 0.991 1092 V HN 0.816 nan 8.190 nan 0.000 0.427 1093 Y N 1.215 121.561 120.300 0.076 0.000 2.686 1093 Y HA 0.583 5.132 4.550 -0.002 0.000 0.330 1093 Y C 0.556 176.457 175.900 0.002 0.000 1.082 1093 Y CA -1.200 56.938 58.100 0.064 0.000 1.158 1093 Y CB 0.959 39.464 38.460 0.074 0.000 1.333 1093 Y HN 0.516 nan 8.280 nan 0.000 0.519 1094 H N 0.022 119.255 119.070 0.271 0.000 2.548 1094 H HA 0.542 5.098 4.556 -0.002 0.000 0.331 1094 H C -0.148 175.367 175.328 0.312 0.000 1.093 1094 H CA 0.018 56.206 56.048 0.234 0.000 1.367 1094 H CB 1.223 31.095 29.762 0.184 0.000 1.455 1094 H HN 0.857 nan 8.280 nan 0.000 0.519 1095 G N 1.288 110.303 108.800 0.359 0.000 2.642 1095 G HA2 0.450 4.409 3.960 -0.002 0.000 0.293 1095 G HA3 0.450 4.409 3.960 -0.002 0.000 0.293 1095 G C -1.085 173.949 174.900 0.225 0.000 1.341 1095 G CA -0.531 44.656 45.100 0.144 0.000 0.916 1095 G HN 0.486 nan 8.290 nan 0.000 0.474 1096 T N 0.149 114.738 114.554 0.060 0.000 2.876 1096 T HA 0.591 4.940 4.350 -0.002 0.000 0.289 1096 T C -1.242 173.475 174.700 0.027 0.000 1.014 1096 T CA -0.423 61.728 62.100 0.085 0.000 0.986 1096 T CB 1.939 70.860 68.868 0.089 0.000 1.021 1096 T HN 0.316 nan 8.240 nan 0.000 0.458 1097 L N 3.154 124.403 121.223 0.043 0.000 2.356 1097 L HA 0.480 4.819 4.340 -0.002 0.000 0.277 1097 L C -0.895 175.986 176.870 0.019 0.000 0.996 1097 L CA -0.771 54.084 54.840 0.024 0.000 0.822 1097 L CB 1.489 43.566 42.059 0.031 0.000 1.256 1097 L HN 0.516 nan 8.230 nan 0.000 0.413 1098 L N 3.710 124.938 121.223 0.009 0.000 2.389 1098 L HA 0.174 4.513 4.340 -0.002 0.000 0.265 1098 L C 0.029 176.903 176.870 0.008 0.000 1.167 1098 L CA -0.181 54.663 54.840 0.007 0.000 1.045 1098 L CB -0.206 41.854 42.059 0.003 0.000 1.351 1098 L HN 0.648 nan 8.230 nan 0.000 0.419 1099 D N 3.740 124.146 120.400 0.010 0.000 2.383 1099 D HA -0.003 4.636 4.640 -0.002 0.000 0.275 1099 D C 1.253 177.556 176.300 0.006 0.000 1.344 1099 D CA 0.891 54.896 54.000 0.009 0.000 0.984 1099 D CB 0.318 41.124 40.800 0.010 0.000 1.104 1099 D HN 0.632 nan 8.370 nan 0.000 0.524 1100 N N 2.719 121.422 118.700 0.005 0.000 2.945 1100 N HA -0.245 4.494 4.740 -0.002 0.000 0.209 1100 N C -0.788 174.724 175.510 0.004 0.000 0.546 1100 N CA 1.439 54.492 53.050 0.004 0.000 1.825 1100 N CB -0.866 37.623 38.487 0.004 0.000 1.560 1100 N HN 0.490 nan 8.380 nan 0.000 0.369 1101 D N 0.373 120.775 120.400 0.003 0.000 2.908 1101 D HA 0.533 5.172 4.640 -0.002 0.000 0.361 1101 D C 0.470 176.771 176.300 0.002 0.000 1.416 1101 D CA 0.859 54.860 54.000 0.002 0.000 0.796 1101 D CB 0.590 41.391 40.800 0.002 0.000 1.185 1101 D HN 0.645 nan 8.370 nan 0.000 0.451 1102 G N 0.597 109.399 108.800 0.003 0.000 4.386 1102 G HA2 -0.115 3.844 3.960 -0.002 0.000 0.183 1102 G HA3 -0.115 3.844 3.960 -0.002 0.000 0.183 1102 G C -0.006 174.897 174.900 0.004 0.000 1.226 1102 G CA -0.596 44.506 45.100 0.002 0.000 0.926 1102 G HN 0.126 nan 8.290 nan 0.000 0.306 1103 K N 2.281 122.684 120.400 0.005 0.000 2.367 1103 K HA 0.196 4.515 4.320 -0.002 0.000 0.275 1103 K C 0.113 176.719 176.600 0.011 0.000 1.125 1103 K CA 0.186 56.478 56.287 0.007 0.000 1.133 1103 K CB 0.047 32.552 32.500 0.008 0.000 0.875 1103 K HN 0.420 nan 8.250 nan 0.000 0.467 1104 K N 4.210 124.616 120.400 0.011 0.000 2.156 1104 K HA 0.393 4.712 4.320 -0.002 0.000 0.271 1104 K C -0.986 175.631 176.600 0.028 0.000 0.995 1104 K CA -0.732 55.565 56.287 0.016 0.000 0.890 1104 K CB 1.189 33.693 32.500 0.007 0.000 1.073 1104 K HN 0.502 nan 8.250 nan 0.000 0.454 1105 I N 1.853 122.450 120.570 0.046 0.000 2.730 1105 I HA 0.286 4.455 4.170 -0.002 0.000 0.298 1105 I C -1.291 174.909 176.117 0.138 0.000 1.089 1105 I CA -0.784 60.562 61.300 0.077 0.000 1.041 1105 I CB 1.841 39.879 38.000 0.062 0.000 1.235 1105 I HN 0.876 nan 8.210 nan 0.000 0.423 1106 H N 5.727 124.819 119.070 0.037 0.000 2.615 1106 H HA 0.709 5.264 4.556 -0.002 0.000 0.363 1106 H C -0.591 174.786 175.328 0.082 0.000 1.148 1106 H CA -0.448 55.626 56.048 0.043 0.000 1.401 1106 H CB 0.934 30.714 29.762 0.030 0.000 1.461 1106 H HN 0.834 nan 8.280 nan 0.000 0.588 1107 C N 1.312 120.697 119.300 0.142 0.000 3.259 1107 C HA 0.827 5.286 4.460 -0.002 0.000 0.344 1107 C C -0.838 174.149 174.990 -0.005 0.000 1.401 1107 C CA -0.693 58.344 59.018 0.032 0.000 1.219 1107 C CB 0.579 28.359 27.740 0.066 0.000 1.521 1107 C HN 1.006 nan 8.230 nan 0.000 0.455 1108 A N 1.048 123.888 122.820 0.033 0.000 2.285 1108 A HA 0.713 5.032 4.320 -0.002 0.000 0.310 1108 A C -0.386 177.230 177.584 0.054 0.000 1.266 1108 A CA -0.366 51.692 52.037 0.035 0.000 0.832 1108 A CB 0.285 19.310 19.000 0.042 0.000 1.163 1108 A HN 1.811 nan 8.150 nan 0.000 0.499 1109 V N 1.231 121.192 119.914 0.079 0.000 2.530 1109 V HA 0.432 4.551 4.120 -0.002 0.000 0.282 1109 V C 0.211 176.383 176.094 0.130 0.000 1.048 1109 V CA -0.615 61.753 62.300 0.113 0.000 0.997 1109 V CB 0.731 32.633 31.823 0.132 0.000 0.987 1109 V HN 0.802 nan 8.190 nan 0.000 0.477 1110 K N 3.065 123.564 120.400 0.165 0.000 2.293 1110 K HA 0.640 4.959 4.320 -0.002 0.000 0.267 1110 K C -0.493 176.323 176.600 0.360 0.000 1.010 1110 K CA 0.116 56.532 56.287 0.215 0.000 0.875 1110 K CB 1.564 34.176 32.500 0.186 0.000 1.106 1110 K HN 0.828 nan 8.250 nan 0.000 0.450 1111 S N 3.046 118.885 115.700 0.233 0.000 2.634 1111 S HA 0.739 5.208 4.470 -0.002 0.000 0.296 1111 S C -1.435 173.134 174.600 -0.052 0.000 1.104 1111 S CA -0.810 57.440 58.200 0.082 0.000 0.920 1111 S CB 0.456 63.748 63.200 0.155 0.000 1.111 1111 S HN 0.467 nan 8.310 nan 0.000 0.493 1112 L N 1.404 122.445 121.223 -0.303 0.000 2.298 1112 L HA 0.775 5.114 4.340 -0.002 0.000 0.268 1112 L C 0.857 177.648 176.870 -0.131 0.000 1.010 1112 L CA -0.703 53.993 54.840 -0.240 0.000 0.812 1112 L CB -0.967 40.827 42.059 -0.443 0.000 1.331 1112 L HN 0.532 nan 8.230 nan 0.000 0.450 1113 N N -0.222 118.425 118.700 -0.088 0.000 2.013 1113 N HA -0.076 4.663 4.740 -0.002 0.000 0.191 1113 N C 1.003 176.475 175.510 -0.063 0.000 1.084 1113 N CA 1.921 54.946 53.050 -0.042 0.000 0.904 1113 N CB -0.160 38.303 38.487 -0.039 0.000 1.065 1113 N HN 0.634 nan 8.380 nan 0.000 0.492 1114 R N -1.430 119.021 120.500 -0.081 0.000 3.096 1114 R HA 0.277 4.616 4.340 -0.002 0.000 0.093 1114 R C -1.089 175.165 176.300 -0.077 0.000 0.502 1114 R CA -0.337 55.718 56.100 -0.074 0.000 0.279 1114 R CB -0.395 29.881 30.300 -0.041 0.000 0.561 1114 R HN 0.262 nan 8.270 nan 0.000 0.316 1115 I N 1.455 121.995 120.570 -0.050 0.000 2.311 1115 I HA 0.353 4.522 4.170 -0.002 0.000 0.297 1115 I C -0.105 175.984 176.117 -0.046 0.000 1.131 1115 I CA 0.347 61.621 61.300 -0.043 0.000 1.289 1115 I CB 1.015 39.002 38.000 -0.021 0.000 1.446 1115 I HN 0.237 nan 8.210 nan 0.000 0.524 1116 T N 3.232 117.748 114.554 -0.064 0.000 3.339 1116 T HA 0.204 4.553 4.350 -0.002 0.000 0.292 1116 T C -0.253 174.412 174.700 -0.060 0.000 1.012 1116 T CA -0.134 61.927 62.100 -0.064 0.000 0.937 1116 T CB -0.435 68.377 68.868 -0.093 0.000 1.164 1116 T HN 0.827 nan 8.240 nan 0.000 0.509 1117 D N -0.194 120.177 120.400 -0.049 0.000 10.438 1117 D HA -0.145 4.494 4.640 -0.002 0.000 0.353 1117 D C 0.614 176.887 176.300 -0.044 0.000 3.090 1117 D CA 0.299 54.275 54.000 -0.040 0.000 2.541 1117 D CB -0.453 40.328 40.800 -0.033 0.000 1.239 1117 D HN 0.283 nan 8.370 nan 0.000 0.972 1118 I N 0.670 121.221 120.570 -0.033 0.000 2.439 1118 I HA -0.037 4.132 4.170 -0.002 0.000 0.251 1118 I C 2.234 178.333 176.117 -0.029 0.000 1.139 1118 I CA 2.215 63.498 61.300 -0.030 0.000 1.438 1118 I CB -0.331 37.657 38.000 -0.021 0.000 1.085 1118 I HN 0.518 nan 8.210 nan 0.000 0.427 1119 G N 1.359 110.140 108.800 -0.031 0.000 2.476 1119 G HA2 -0.370 3.589 3.960 -0.002 0.000 0.218 1119 G HA3 -0.370 3.589 3.960 -0.002 0.000 0.218 1119 G C 1.424 176.303 174.900 -0.036 0.000 1.164 1119 G CA 1.192 46.274 45.100 -0.030 0.000 0.768 1119 G HN 0.726 nan 8.290 nan 0.000 0.560 1120 E N -0.277 119.889 120.200 -0.058 0.000 2.427 1120 E HA 0.095 4.444 4.350 -0.002 0.000 0.196 1120 E C 2.066 178.642 176.600 -0.039 0.000 1.028 1120 E CA 0.481 56.835 56.400 -0.077 0.000 0.864 1120 E CB -0.039 29.573 29.700 -0.147 0.000 0.813 1120 E HN 0.250 nan 8.360 nan 0.000 0.514 1121 V N 1.007 120.902 119.914 -0.030 0.000 2.788 1121 V HA -0.141 3.978 4.120 -0.002 0.000 0.251 1121 V C 1.930 178.061 176.094 0.061 0.000 1.068 1121 V CA 1.725 64.024 62.300 -0.001 0.000 1.090 1121 V CB 0.121 31.926 31.823 -0.031 0.000 0.710 1121 V HN 0.387 nan 8.190 nan 0.000 0.467 1122 S N -0.951 114.766 115.700 0.028 0.000 2.470 1122 S HA -0.138 4.331 4.470 -0.002 0.000 0.225 1122 S C 1.762 176.379 174.600 0.029 0.000 1.006 1122 S CA 0.664 58.879 58.200 0.025 0.000 0.934 1122 S CB -0.053 63.148 63.200 0.002 0.000 0.778 1122 S HN 0.661 nan 8.310 nan 0.000 0.517 1123 Q N 0.498 120.318 119.800 0.033 0.000 2.083 1123 Q HA -0.023 4.316 4.340 -0.002 0.000 0.198 1123 Q C 1.809 177.842 176.000 0.055 0.000 0.969 1123 Q CA 1.085 56.902 55.803 0.023 0.000 0.838 1123 Q CB -0.181 28.557 28.738 -0.002 0.000 0.900 1123 Q HN 0.585 nan 8.270 nan 0.000 0.436 1124 F N 0.066 119.977 119.950 -0.066 0.000 2.325 1124 F HA -0.037 4.489 4.527 -0.002 0.000 0.299 1124 F C 1.410 177.184 175.800 -0.043 0.000 1.090 1124 F CA 0.702 58.668 58.000 -0.056 0.000 1.392 1124 F CB 0.146 39.109 39.000 -0.063 0.000 1.053 1124 F HN 0.056 nan 8.300 nan 0.000 0.521 1125 L N -0.481 120.801 121.223 0.097 0.000 2.084 1125 L HA -0.112 4.227 4.340 -0.002 0.000 0.202 1125 L C 2.455 179.275 176.870 -0.084 0.000 1.074 1125 L CA 1.624 56.460 54.840 -0.007 0.000 0.757 1125 L CB -0.945 41.157 42.059 0.071 0.000 0.918 1125 L HN -0.009 nan 8.230 nan 0.000 0.444 1126 T N -0.670 113.856 114.554 -0.046 0.000 2.721 1126 T HA -0.277 4.072 4.350 -0.002 0.000 0.268 1126 T C 1.728 176.376 174.700 -0.087 0.000 1.038 1126 T CA 1.722 63.789 62.100 -0.054 0.000 1.145 1126 T CB -0.191 68.660 68.868 -0.028 0.000 0.858 1126 T HN 0.329 nan 8.240 nan 0.000 0.459 1127 E N 0.856 120.990 120.200 -0.110 0.000 2.006 1127 E HA -0.097 4.252 4.350 -0.002 0.000 0.192 1127 E C 2.638 179.119 176.600 -0.198 0.000 0.993 1127 E CA 1.464 57.784 56.400 -0.133 0.000 0.808 1127 E CB -0.852 28.764 29.700 -0.141 0.000 0.764 1127 E HN 0.481 nan 8.360 nan 0.000 0.449 1128 G N 1.743 110.376 108.800 -0.279 0.000 2.507 1128 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.221 1128 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.221 1128 G C 1.747 176.517 174.900 -0.217 0.000 1.119 1128 G CA 0.841 45.773 45.100 -0.281 0.000 0.751 1128 G HN 0.372 nan 8.290 nan 0.000 0.574 1129 I N -0.311 120.148 120.570 -0.186 0.000 2.928 1129 I HA 0.031 4.200 4.170 -0.002 0.000 0.266 1129 I C 2.294 178.274 176.117 -0.230 0.000 1.234 1129 I CA 0.157 61.363 61.300 -0.157 0.000 1.483 1129 I CB 0.068 38.007 38.000 -0.101 0.000 1.097 1129 I HN 0.104 nan 8.210 nan 0.000 0.455 1130 I N 0.496 120.904 120.570 -0.270 0.000 2.493 1130 I HA -0.260 3.909 4.170 -0.002 0.000 0.254 1130 I C 2.231 177.793 176.117 -0.926 0.000 1.160 1130 I CA 1.574 62.635 61.300 -0.397 0.000 1.445 1130 I CB -0.049 37.834 38.000 -0.195 0.000 1.086 1130 I HN 0.154 nan 8.210 nan 0.000 0.433 1131 M N -1.247 117.922 119.600 -0.718 0.000 2.506 1131 M HA -0.047 4.432 4.480 -0.002 0.000 0.260 1131 M C 1.949 177.942 176.300 -0.512 0.000 1.104 1131 M CA 0.443 55.269 55.300 -0.789 0.000 1.112 1131 M CB -0.238 32.206 32.600 -0.260 0.000 1.401 1131 M HN -0.107 nan 8.290 nan 0.000 0.473 1132 K N 1.681 121.867 120.400 -0.355 0.000 2.127 1132 K HA -0.188 4.131 4.320 -0.002 0.000 0.208 1132 K C 0.667 177.190 176.600 -0.128 0.000 1.047 1132 K CA 1.803 57.984 56.287 -0.178 0.000 0.927 1132 K CB -0.468 31.969 32.500 -0.105 0.000 0.716 1132 K HN 0.304 nan 8.250 nan 0.000 0.450 1133 D N -1.161 119.125 120.400 -0.190 0.000 2.340 1133 D HA -0.002 4.637 4.640 -0.002 0.000 0.220 1133 D C -0.272 176.192 176.300 0.273 0.000 1.039 1133 D CA 0.086 54.089 54.000 0.006 0.000 0.866 1133 D CB 0.007 40.812 40.800 0.009 0.000 0.913 1133 D HN 0.020 nan 8.370 nan 0.000 0.523 1134 F N 1.590 121.568 119.950 0.048 0.000 2.662 1134 F HA 0.121 4.648 4.527 -0.001 0.000 0.365 1134 F C 0.897 176.643 175.800 -0.091 0.000 1.222 1134 F CA -1.099 56.943 58.000 0.071 0.000 1.315 1134 F CB -1.305 37.664 39.000 -0.051 0.000 1.711 1134 F HN -0.194 nan 8.300 nan 0.000 0.651 1135 S N 1.384 117.152 115.700 0.113 0.000 2.955 1135 S HA 0.233 4.702 4.470 -0.002 0.000 0.294 1135 S C -0.412 173.946 174.600 -0.403 0.000 1.198 1135 S CA -0.283 57.866 58.200 -0.085 0.000 1.008 1135 S CB -0.060 63.153 63.200 0.022 0.000 1.279 1135 S HN 0.564 nan 8.310 nan 0.000 0.508 1136 H N 3.123 121.822 119.070 -0.618 0.000 3.029 1136 H HA 0.299 4.854 4.556 -0.002 0.000 0.358 1136 H C -2.575 172.530 175.328 -0.371 0.000 1.129 1136 H CA -1.427 54.205 56.048 -0.692 0.000 1.230 1136 H CB 2.537 31.498 29.762 -1.335 0.000 1.827 1136 H HN 0.269 nan 8.280 nan 0.000 0.530 1137 P HA -0.089 nan 4.420 nan 0.000 0.221 1137 P C 0.056 177.287 177.300 -0.115 0.000 1.145 1137 P CA 1.172 64.091 63.100 -0.301 0.000 0.795 1137 P CB 0.353 31.852 31.700 -0.335 0.000 0.775 1138 N N -0.946 117.812 118.700 0.097 0.000 2.251 1138 N HA 0.169 4.908 4.740 -0.002 0.000 0.217 1138 N C -0.743 174.775 175.510 0.014 0.000 1.124 1138 N CA -0.237 52.871 53.050 0.096 0.000 0.843 1138 N CB 0.622 39.190 38.487 0.135 0.000 1.024 1138 N HN -0.062 nan 8.380 nan 0.000 0.501 1139 V N 1.585 121.480 119.914 -0.033 0.000 2.531 1139 V HA 0.249 4.368 4.120 -0.002 0.000 0.301 1139 V C -0.352 175.714 176.094 -0.047 0.000 1.034 1139 V CA -1.022 61.219 62.300 -0.098 0.000 0.865 1139 V CB 2.033 33.715 31.823 -0.235 0.000 0.995 1139 V HN 0.090 nan 8.190 nan 0.000 0.424 1140 L N 5.278 126.493 121.223 -0.013 0.000 2.513 1140 L HA 0.308 4.647 4.340 -0.002 0.000 0.272 1140 L C 0.533 177.428 176.870 0.041 0.000 1.187 1140 L CA 1.173 56.014 54.840 0.003 0.000 0.895 1140 L CB 0.598 42.664 42.059 0.011 0.000 1.147 1140 L HN 0.812 nan 8.230 nan 0.000 0.483 1141 S N 4.863 120.569 115.700 0.009 0.000 2.745 1141 S HA 0.672 5.141 4.470 -0.002 0.000 0.292 1141 S C -0.704 173.888 174.600 -0.013 0.000 1.133 1141 S CA -0.765 57.442 58.200 0.011 0.000 0.998 1141 S CB 1.621 64.815 63.200 -0.010 0.000 1.087 1141 S HN 0.644 nan 8.310 nan 0.000 0.551 1142 L N 1.579 122.784 121.223 -0.031 0.000 2.296 1142 L HA 0.464 4.803 4.340 -0.002 0.000 0.286 1142 L C 0.360 177.214 176.870 -0.027 0.000 1.023 1142 L CA -0.286 54.529 54.840 -0.042 0.000 0.812 1142 L CB 0.406 42.419 42.059 -0.076 0.000 1.223 1142 L HN 0.721 nan 8.230 nan 0.000 0.421 1143 L N 4.388 125.602 121.223 -0.015 0.000 2.095 1143 L HA 0.349 4.688 4.340 -0.002 0.000 0.204 1143 L C 1.080 177.949 176.870 -0.002 0.000 1.080 1143 L CA 0.922 55.760 54.840 -0.005 0.000 0.759 1143 L CB -0.474 41.589 42.059 0.005 0.000 0.914 1143 L HN 0.891 nan 8.230 nan 0.000 0.439 1144 G N -0.426 108.372 108.800 -0.003 0.000 2.324 1144 G HA2 0.311 4.270 3.960 -0.002 0.000 0.293 1144 G HA3 0.311 4.270 3.960 -0.002 0.000 0.293 1144 G C -2.091 172.812 174.900 0.006 0.000 1.297 1144 G CA -0.427 44.674 45.100 0.002 0.000 0.853 1144 G HN -0.037 nan 8.290 nan 0.000 0.535 1145 I N -0.239 120.339 120.570 0.013 0.000 2.468 1145 I HA 0.655 4.825 4.170 -0.002 0.000 0.284 1145 I C -0.357 175.781 176.117 0.036 0.000 1.038 1145 I CA -0.660 60.660 61.300 0.032 0.000 1.083 1145 I CB 1.056 39.072 38.000 0.026 0.000 1.223 1145 I HN 0.684 nan 8.210 nan 0.000 0.443 1146 C N 6.606 125.934 119.300 0.047 0.000 2.341 1146 C HA 0.754 5.213 4.460 -0.002 0.000 0.338 1146 C C -0.101 174.916 174.990 0.045 0.000 1.257 1146 C CA -0.893 58.148 59.018 0.038 0.000 1.883 1146 C CB 0.436 28.196 27.740 0.034 0.000 2.334 1146 C HN 0.703 nan 8.230 nan 0.000 0.524 1147 L N 2.658 123.899 121.223 0.029 0.000 2.356 1147 L HA 0.496 4.835 4.340 -0.002 0.000 0.277 1147 L C 1.020 177.897 176.870 0.011 0.000 0.996 1147 L CA -0.073 54.781 54.840 0.023 0.000 0.822 1147 L CB 1.357 43.425 42.059 0.014 0.000 1.256 1147 L HN 0.740 nan 8.230 nan 0.000 0.413 1148 R N 0.329 120.834 120.500 0.009 0.000 2.221 1148 R HA 0.211 4.550 4.340 -0.002 0.000 0.195 1148 R C 0.894 177.180 176.300 -0.024 0.000 0.956 1148 R CA 0.359 56.457 56.100 -0.003 0.000 1.064 1148 R CB 0.294 30.597 30.300 0.006 0.000 1.049 1148 R HN 0.612 nan 8.270 nan 0.000 0.534 1149 S N 0.506 116.189 115.700 -0.028 0.000 3.635 1149 S HA -0.139 4.330 4.470 -0.002 0.000 0.328 1149 S C 0.625 175.182 174.600 -0.072 0.000 1.135 1149 S CA 0.615 58.786 58.200 -0.049 0.000 0.942 1149 S CB -0.846 62.323 63.200 -0.051 0.000 0.930 1149 S HN 0.436 nan 8.310 nan 0.000 0.512 1150 E N -0.410 119.753 120.200 -0.062 0.000 2.474 1150 E HA 0.318 4.667 4.350 -0.002 0.000 0.195 1150 E C 1.427 177.989 176.600 -0.064 0.000 1.039 1150 E CA 0.795 57.152 56.400 -0.072 0.000 0.881 1150 E CB 0.438 30.102 29.700 -0.059 0.000 0.970 1150 E HN 0.885 nan 8.360 nan 0.000 0.486 1151 G N 0.510 109.271 108.800 -0.064 0.000 2.407 1151 G HA2 -0.126 3.833 3.960 -0.002 0.000 0.210 1151 G HA3 -0.126 3.833 3.960 -0.002 0.000 0.210 1151 G C -0.035 174.818 174.900 -0.078 0.000 1.015 1151 G CA 0.025 45.089 45.100 -0.059 0.000 0.807 1151 G HN 0.058 nan 8.290 nan 0.000 0.539 1152 S N 0.928 116.574 115.700 -0.091 0.000 2.243 1152 S HA 0.458 4.928 4.470 -0.002 0.000 0.296 1152 S C -2.913 171.614 174.600 -0.122 0.000 0.803 1152 S CA -0.348 57.771 58.200 -0.136 0.000 0.898 1152 S CB 1.390 64.534 63.200 -0.093 0.000 1.230 1152 S HN 0.333 nan 8.310 nan 0.000 0.420 1153 P HA 0.584 nan 4.420 nan 0.000 0.274 1153 P C -1.138 176.168 177.300 0.010 0.000 1.231 1153 P CA -0.657 62.411 63.100 -0.052 0.000 0.790 1153 P CB 0.393 32.097 31.700 0.007 0.000 0.951 1154 L N 0.175 121.516 121.223 0.197 0.000 2.362 1154 L HA 0.718 5.057 4.340 -0.002 0.000 0.271 1154 L C -0.495 176.563 176.870 0.312 0.000 1.002 1154 L CA -1.041 53.983 54.840 0.306 0.000 0.818 1154 L CB 1.179 43.360 42.059 0.202 0.000 1.298 1154 L HN 0.023 nan 8.230 nan 0.000 0.420 1155 V N 2.605 122.702 119.914 0.304 0.000 2.417 1155 V HA 0.531 4.650 4.120 -0.002 0.000 0.291 1155 V C -0.182 175.952 176.094 0.066 0.000 1.024 1155 V CA -0.644 61.702 62.300 0.076 0.000 0.861 1155 V CB 1.955 33.685 31.823 -0.156 0.000 0.985 1155 V HN 0.614 nan 8.190 nan 0.000 0.436 1156 V N 7.198 127.133 119.914 0.035 0.000 2.364 1156 V HA 0.445 4.564 4.120 -0.002 0.000 0.272 1156 V C -0.070 176.031 176.094 0.013 0.000 1.036 1156 V CA -0.198 62.121 62.300 0.033 0.000 0.880 1156 V CB 1.065 32.907 31.823 0.032 0.000 0.991 1156 V HN 0.607 nan 8.190 nan 0.000 0.460 1157 L N 7.002 128.235 121.223 0.017 0.000 2.330 1157 L HA 0.593 4.932 4.340 -0.002 0.000 0.271 1157 L C -2.523 174.350 176.870 0.004 0.000 1.013 1157 L CA -2.237 52.605 54.840 0.003 0.000 0.816 1157 L CB 2.254 44.313 42.059 0.001 0.000 1.287 1157 L HN 0.364 nan 8.230 nan 0.000 0.435 1158 P HA -0.001 nan 4.420 nan 0.000 0.271 1158 P C -1.061 176.219 177.300 -0.034 0.000 1.220 1158 P CA -0.116 62.977 63.100 -0.012 0.000 0.768 1158 P CB 0.188 31.869 31.700 -0.031 0.000 0.848 1159 Y N 4.008 124.196 120.300 -0.187 0.000 2.610 1159 Y HA 0.115 4.664 4.550 -0.002 0.000 0.332 1159 Y C 0.208 175.978 175.900 -0.217 0.000 1.201 1159 Y CA 0.459 58.385 58.100 -0.290 0.000 1.465 1159 Y CB 0.303 38.404 38.460 -0.598 0.000 1.283 1159 Y HN 0.258 nan 8.280 nan 0.000 0.563 1160 M N 7.712 126.758 119.600 -0.924 0.000 2.060 1160 M HA 0.157 4.636 4.480 -0.002 0.000 0.342 1160 M C 1.015 176.745 176.300 -0.951 0.000 1.031 1160 M CA -0.467 54.417 55.300 -0.695 0.000 0.981 1160 M CB 1.177 33.518 32.600 -0.433 0.000 1.376 1160 M HN 0.835 nan 8.290 nan 0.000 0.397 1161 K N 2.168 122.093 120.400 -0.792 0.000 2.107 1161 K HA -0.196 4.123 4.320 -0.002 0.000 0.211 1161 K C 1.039 177.331 176.600 -0.514 0.000 1.049 1161 K CA 1.890 57.817 56.287 -0.601 0.000 0.927 1161 K CB 0.158 32.377 32.500 -0.468 0.000 0.714 1161 K HN 0.597 nan 8.250 nan 0.000 0.452 1162 H N -0.344 118.588 119.070 -0.229 0.000 2.524 1162 H HA 0.182 4.737 4.556 -0.002 0.000 0.280 1162 H C 1.200 176.492 175.328 -0.060 0.000 1.018 1162 H CA 0.546 56.556 56.048 -0.062 0.000 1.165 1162 H CB 0.088 29.774 29.762 -0.127 0.000 1.411 1162 H HN 0.533 nan 8.280 nan 0.000 0.569 1163 G N 1.938 110.661 108.800 -0.128 0.000 2.566 1163 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.280 1163 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.280 1163 G C -0.181 174.645 174.900 -0.124 0.000 1.225 1163 G CA 0.254 45.273 45.100 -0.134 0.000 0.966 1163 G HN 0.561 nan 8.290 nan 0.000 0.560 1164 D N -0.206 120.141 120.400 -0.088 0.000 2.264 1164 D HA 0.496 5.135 4.640 -0.002 0.000 0.249 1164 D C 1.463 177.749 176.300 -0.024 0.000 1.070 1164 D CA -0.493 53.457 54.000 -0.084 0.000 0.912 1164 D CB 1.164 41.910 40.800 -0.092 0.000 1.193 1164 D HN 0.483 nan 8.370 nan 0.000 0.427 1165 L N 1.529 122.705 121.223 -0.077 0.000 2.081 1165 L HA -0.150 4.189 4.340 -0.002 0.000 0.212 1165 L C 2.262 179.172 176.870 0.066 0.000 1.080 1165 L CA 1.776 56.566 54.840 -0.083 0.000 0.754 1165 L CB -0.698 41.285 42.059 -0.127 0.000 0.893 1165 L HN 0.640 nan 8.230 nan 0.000 0.433 1166 R N -0.700 119.844 120.500 0.073 0.000 2.066 1166 R HA -0.142 4.197 4.340 -0.002 0.000 0.232 1166 R C 2.076 178.448 176.300 0.119 0.000 1.131 1166 R CA 1.926 58.090 56.100 0.107 0.000 0.955 1166 R CB -0.240 30.123 30.300 0.104 0.000 0.851 1166 R HN 0.531 nan 8.270 nan 0.000 0.432 1167 N N -0.517 118.249 118.700 0.111 0.000 2.188 1167 N HA -0.163 4.576 4.740 -0.002 0.000 0.184 1167 N C 1.534 177.145 175.510 0.168 0.000 1.018 1167 N CA 1.044 54.160 53.050 0.111 0.000 0.858 1167 N CB -0.152 38.385 38.487 0.083 0.000 0.989 1167 N HN 0.111 nan 8.380 nan 0.000 0.426 1168 F N 2.342 122.339 119.950 0.079 0.000 2.095 1168 F HA -0.140 4.386 4.527 -0.002 0.000 0.298 1168 F C 2.008 177.946 175.800 0.230 0.000 1.104 1168 F CA 1.280 59.377 58.000 0.163 0.000 1.232 1168 F CB -0.226 38.783 39.000 0.015 0.000 0.987 1168 F HN 0.011 nan 8.300 nan 0.000 0.475 1169 I N -1.422 119.311 120.570 0.272 0.000 2.546 1169 I HA -0.102 4.067 4.170 -0.002 0.000 0.255 1169 I C 2.173 178.333 176.117 0.071 0.000 1.163 1169 I CA 1.089 62.493 61.300 0.174 0.000 1.457 1169 I CB -0.671 37.460 38.000 0.219 0.000 1.092 1169 I HN 0.042 nan 8.210 nan 0.000 0.434 1170 R N 1.407 121.947 120.500 0.067 0.000 2.189 1170 R HA 0.020 4.359 4.340 -0.002 0.000 0.218 1170 R C 0.774 177.062 176.300 -0.019 0.000 1.074 1170 R CA 0.151 56.271 56.100 0.033 0.000 0.991 1170 R CB -0.466 29.864 30.300 0.049 0.000 0.883 1170 R HN 0.393 nan 8.270 nan 0.000 0.457 1171 N N 1.958 120.615 118.700 -0.071 0.000 2.434 1171 N HA -0.095 4.644 4.740 -0.002 0.000 0.268 1171 N C 0.130 175.507 175.510 -0.223 0.000 1.256 1171 N CA 0.519 53.434 53.050 -0.224 0.000 0.914 1171 N CB 1.011 39.183 38.487 -0.525 0.000 1.088 1171 N HN 0.126 nan 8.380 nan 0.000 0.478 1172 E N 0.834 120.942 120.200 -0.154 0.000 2.268 1172 E HA -0.122 4.227 4.350 -0.002 0.000 0.195 1172 E C 1.397 177.927 176.600 -0.117 0.000 0.995 1172 E CA 1.233 57.575 56.400 -0.097 0.000 0.836 1172 E CB 0.174 29.842 29.700 -0.053 0.000 0.763 1172 E HN 0.781 nan 8.360 nan 0.000 0.491 1173 T N -1.429 112.996 114.554 -0.214 0.000 3.118 1173 T HA -0.042 4.307 4.350 -0.002 0.000 0.260 1173 T C 0.548 175.184 174.700 -0.106 0.000 1.139 1173 T CA 0.111 62.111 62.100 -0.167 0.000 1.085 1173 T CB -0.060 68.706 68.868 -0.169 0.000 0.934 1173 T HN -0.025 nan 8.240 nan 0.000 0.518 1174 H N 1.899 120.890 119.070 -0.132 0.000 2.481 1174 H HA 0.493 5.048 4.556 -0.002 0.000 0.339 1174 H C 0.035 175.301 175.328 -0.104 0.000 1.131 1174 H CA -1.276 54.660 56.048 -0.185 0.000 1.301 1174 H CB 0.698 30.206 29.762 -0.423 0.000 1.476 1174 H HN 0.242 nan 8.280 nan 0.000 0.529 1175 N N 3.408 122.151 118.700 0.071 0.000 2.813 1175 N HA 0.137 4.876 4.740 -0.002 0.000 0.282 1175 N C -2.646 172.896 175.510 0.053 0.000 1.748 1175 N CA -1.043 52.057 53.050 0.083 0.000 0.860 1175 N CB 1.747 40.311 38.487 0.128 0.000 1.204 1175 N HN 0.416 nan 8.380 nan 0.000 0.490 1176 P HA 0.096 nan 4.420 nan 0.000 0.274 1176 P C 0.315 177.482 177.300 -0.222 0.000 1.231 1176 P CA 0.096 63.133 63.100 -0.105 0.000 0.790 1176 P CB 0.950 32.630 31.700 -0.034 0.000 0.951 1177 T N -2.186 112.163 114.554 -0.341 0.000 2.910 1177 T HA 0.252 4.602 4.350 -0.002 0.000 0.279 1177 T C 1.409 175.888 174.700 -0.368 0.000 0.989 1177 T CA -0.748 61.066 62.100 -0.477 0.000 0.968 1177 T CB 0.208 68.732 68.868 -0.573 0.000 1.135 1177 T HN 0.033 nan 8.240 nan 0.000 0.562 1178 V N 0.982 120.670 119.914 -0.377 0.000 2.287 1178 V HA -0.150 3.969 4.120 -0.002 0.000 0.248 1178 V C 2.894 178.733 176.094 -0.426 0.000 1.053 1178 V CA 2.145 64.188 62.300 -0.429 0.000 1.027 1178 V CB -0.896 30.556 31.823 -0.618 0.000 0.646 1178 V HN 0.964 nan 8.190 nan 0.000 0.447 1179 K N -0.214 119.948 120.400 -0.397 0.000 2.044 1179 K HA -0.269 4.050 4.320 -0.002 0.000 0.210 1179 K C 1.864 178.387 176.600 -0.127 0.000 1.049 1179 K CA 2.162 58.300 56.287 -0.247 0.000 0.927 1179 K CB -0.248 32.094 32.500 -0.264 0.000 0.713 1179 K HN 0.490 nan 8.250 nan 0.000 0.443 1180 D N 0.599 120.832 120.400 -0.279 0.000 2.117 1180 D HA -0.144 4.495 4.640 -0.002 0.000 0.198 1180 D C 2.007 177.906 176.300 -0.668 0.000 0.982 1180 D CA 0.989 54.698 54.000 -0.484 0.000 0.828 1180 D CB -0.163 40.332 40.800 -0.508 0.000 0.967 1180 D HN 0.231 nan 8.370 nan 0.000 0.464 1181 L N 0.506 121.516 121.223 -0.355 0.000 2.027 1181 L HA -0.079 4.260 4.340 -0.002 0.000 0.206 1181 L C 2.550 179.382 176.870 -0.063 0.000 1.074 1181 L CA 0.689 55.446 54.840 -0.138 0.000 0.745 1181 L CB -0.313 41.707 42.059 -0.066 0.000 0.898 1181 L HN 0.004 nan 8.230 nan 0.000 0.433 1182 I N -0.015 120.518 120.570 -0.063 0.000 2.335 1182 I HA -0.216 3.953 4.170 -0.002 0.000 0.251 1182 I C 2.571 178.730 176.117 0.070 0.000 1.129 1182 I CA 1.391 62.723 61.300 0.053 0.000 1.402 1182 I CB -0.909 37.156 38.000 0.109 0.000 1.069 1182 I HN 0.311 nan 8.210 nan 0.000 0.424 1183 G N 0.879 109.683 108.800 0.005 0.000 2.402 1183 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.216 1183 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.216 1183 G C 1.417 176.260 174.900 -0.096 0.000 1.162 1183 G CA 0.320 45.280 45.100 -0.233 0.000 0.777 1183 G HN 0.162 nan 8.290 nan 0.000 0.539 1184 F N 1.863 121.804 119.950 -0.016 0.000 2.126 1184 F HA 0.027 4.553 4.527 -0.001 0.000 0.299 1184 F C 2.851 178.673 175.800 0.037 0.000 1.096 1184 F CA 0.512 58.509 58.000 -0.005 0.000 1.255 1184 F CB -1.061 37.944 39.000 0.008 0.000 0.997 1184 F HN 0.184 nan 8.300 nan 0.000 0.479 1185 G N -0.238 108.708 108.800 0.244 0.000 2.408 1185 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.217 1185 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.217 1185 G C 1.713 176.796 174.900 0.305 0.000 1.150 1185 G CA 0.739 45.992 45.100 0.255 0.000 0.776 1185 G HN 0.314 nan 8.290 nan 0.000 0.542 1186 L N 0.591 121.895 121.223 0.134 0.000 2.046 1186 L HA -0.047 4.292 4.340 -0.002 0.000 0.208 1186 L C 2.765 179.654 176.870 0.031 0.000 1.077 1186 L CA 1.881 56.747 54.840 0.043 0.000 0.747 1186 L CB -0.762 41.189 42.059 -0.180 0.000 0.896 1186 L HN 0.317 nan 8.230 nan 0.000 0.432 1187 Q N -1.350 118.473 119.800 0.038 0.000 2.167 1187 Q HA -0.137 4.202 4.340 -0.002 0.000 0.202 1187 Q C 2.163 178.194 176.000 0.051 0.000 0.970 1187 Q CA 1.557 57.386 55.803 0.042 0.000 0.855 1187 Q CB -0.114 28.667 28.738 0.071 0.000 0.911 1187 Q HN 0.472 nan 8.270 nan 0.000 0.438 1188 V N 0.819 120.804 119.914 0.118 0.000 2.323 1188 V HA -0.230 3.889 4.120 -0.002 0.000 0.244 1188 V C 2.282 178.336 176.094 -0.066 0.000 1.041 1188 V CA 1.751 64.117 62.300 0.110 0.000 1.025 1188 V CB -0.874 31.139 31.823 0.317 0.000 0.656 1188 V HN 0.357 nan 8.190 nan 0.000 0.451 1189 A N -0.316 122.449 122.820 -0.092 0.000 1.940 1189 A HA -0.244 4.075 4.320 -0.002 0.000 0.219 1189 A C 2.289 179.730 177.584 -0.238 0.000 1.176 1189 A CA 1.942 53.766 52.037 -0.356 0.000 0.631 1189 A CB -0.415 18.448 19.000 -0.228 0.000 0.814 1189 A HN 0.546 nan 8.150 nan 0.000 0.446 1190 K N -0.946 119.385 120.400 -0.115 0.000 2.057 1190 K HA -0.075 4.244 4.320 -0.002 0.000 0.206 1190 K C 2.159 178.609 176.600 -0.251 0.000 1.050 1190 K CA 1.034 57.276 56.287 -0.074 0.000 0.935 1190 K CB -0.386 32.154 32.500 0.066 0.000 0.715 1190 K HN 0.468 nan 8.250 nan 0.000 0.439 1191 G N 1.082 109.727 108.800 -0.258 0.000 2.402 1191 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.216 1191 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.216 1191 G C 1.448 176.115 174.900 -0.388 0.000 1.162 1191 G CA 0.450 45.319 45.100 -0.385 0.000 0.777 1191 G HN 0.052 nan 8.290 nan 0.000 0.539 1192 M N 0.713 120.010 119.600 -0.504 0.000 2.229 1192 M HA 0.044 4.523 4.480 -0.002 0.000 0.264 1192 M C 2.264 178.154 176.300 -0.683 0.000 1.063 1192 M CA 1.023 55.830 55.300 -0.822 0.000 1.114 1192 M CB -0.808 30.716 32.600 -1.793 0.000 1.387 1192 M HN 0.346 nan 8.290 nan 0.000 0.420 1193 K N -0.432 119.703 120.400 -0.442 0.000 2.147 1193 K HA -0.194 4.125 4.320 -0.002 0.000 0.205 1193 K C 2.036 178.549 176.600 -0.144 0.000 1.049 1193 K CA 1.163 57.358 56.287 -0.152 0.000 0.936 1193 K CB -0.242 32.226 32.500 -0.053 0.000 0.722 1193 K HN 0.204 nan 8.250 nan 0.000 0.446 1194 F N 1.655 121.368 119.950 -0.395 0.000 2.084 1194 F HA -0.100 4.426 4.527 -0.002 0.000 0.296 1194 F C 1.738 177.375 175.800 -0.271 0.000 1.111 1194 F CA 1.197 58.974 58.000 -0.372 0.000 1.224 1194 F CB -0.200 38.380 39.000 -0.698 0.000 0.991 1194 F HN -0.078 nan 8.300 nan 0.000 0.471 1195 L N 0.276 121.365 121.223 -0.223 0.000 2.042 1195 L HA -0.227 4.112 4.340 -0.002 0.000 0.210 1195 L C 2.821 179.616 176.870 -0.125 0.000 1.076 1195 L CA 1.258 55.957 54.840 -0.234 0.000 0.749 1195 L CB -1.274 40.719 42.059 -0.110 0.000 0.893 1195 L HN 0.288 nan 8.230 nan 0.000 0.432 1196 A N 0.104 122.868 122.820 -0.094 0.000 1.972 1196 A HA -0.219 4.100 4.320 -0.002 0.000 0.219 1196 A C 2.508 180.068 177.584 -0.041 0.000 1.169 1196 A CA 1.944 53.988 52.037 0.011 0.000 0.635 1196 A CB -0.644 18.430 19.000 0.124 0.000 0.810 1196 A HN 0.550 nan 8.150 nan 0.000 0.446 1197 S N -0.979 114.635 115.700 -0.142 0.000 2.423 1197 S HA -0.055 4.414 4.470 -0.002 0.000 0.231 1197 S C 1.402 175.893 174.600 -0.182 0.000 1.014 1197 S CA 1.345 59.448 58.200 -0.161 0.000 0.965 1197 S CB -0.123 62.949 63.200 -0.213 0.000 0.785 1197 S HN 0.308 nan 8.310 nan 0.000 0.495 1198 K N 1.235 121.492 120.400 -0.238 0.000 2.417 1198 K HA 0.283 4.602 4.320 -0.002 0.000 0.196 1198 K C 0.127 176.740 176.600 0.021 0.000 1.023 1198 K CA -0.113 56.093 56.287 -0.135 0.000 1.122 1198 K CB -0.119 32.272 32.500 -0.182 0.000 0.850 1198 K HN 0.268 nan 8.250 nan 0.000 0.521 1199 K N -0.354 120.060 120.400 0.023 0.000 3.069 1199 K HA -0.238 4.081 4.320 -0.002 0.000 0.267 1199 K C -0.358 176.318 176.600 0.127 0.000 1.082 1199 K CA 0.473 56.798 56.287 0.064 0.000 0.782 1199 K CB -2.469 30.060 32.500 0.047 0.000 1.230 1199 K HN 0.229 nan 8.250 nan 0.000 0.488 1200 F N 0.982 120.931 119.950 -0.002 0.000 2.405 1200 F HA 0.316 4.842 4.527 -0.002 0.000 0.355 1200 F C 0.303 176.131 175.800 0.046 0.000 1.121 1200 F CA -0.866 57.156 58.000 0.037 0.000 1.112 1200 F CB 0.994 40.020 39.000 0.043 0.000 1.126 1200 F HN -0.139 nan 8.300 nan 0.000 0.481 1201 V N 7.549 127.173 119.914 -0.482 0.000 2.364 1201 V HA 0.056 4.175 4.120 -0.002 0.000 0.272 1201 V C 1.270 177.054 176.094 -0.518 0.000 1.036 1201 V CA -0.326 61.808 62.300 -0.276 0.000 0.880 1201 V CB 0.738 32.499 31.823 -0.104 0.000 0.991 1201 V HN 0.870 nan 8.190 nan 0.000 0.460 1202 H N 5.374 124.301 119.070 -0.239 0.000 2.267 1202 H HA -0.097 4.458 4.556 -0.001 0.000 0.297 1202 H C 1.656 176.924 175.328 -0.100 0.000 1.080 1202 H CA 2.450 58.449 56.048 -0.082 0.000 1.278 1202 H CB 0.361 30.200 29.762 0.128 0.000 1.365 1202 H HN 0.729 nan 8.280 nan 0.000 0.489 1203 R N -1.165 119.453 120.500 0.198 0.000 3.603 1203 R HA -0.170 4.169 4.340 -0.002 0.000 0.479 1203 R C -0.353 176.042 176.300 0.159 0.000 0.745 1203 R CA 1.246 57.380 56.100 0.057 0.000 1.476 1203 R CB -1.362 28.736 30.300 -0.337 0.000 2.147 1203 R HN 0.350 nan 8.270 nan 0.000 0.447 1204 D N 0.186 120.830 120.400 0.407 0.000 3.078 1204 D HA 0.155 4.794 4.640 -0.002 0.000 0.363 1204 D C -1.213 175.187 176.300 0.167 0.000 1.391 1204 D CA -0.407 53.759 54.000 0.275 0.000 0.754 1204 D CB 0.392 41.283 40.800 0.151 0.000 1.238 1204 D HN 0.051 nan 8.370 nan 0.000 0.500 1205 L N 1.633 122.844 121.223 -0.021 0.000 2.418 1205 L HA 0.661 5.000 4.340 -0.002 0.000 0.274 1205 L C -0.493 176.363 176.870 -0.023 0.000 1.135 1205 L CA 0.348 55.042 54.840 -0.244 0.000 0.870 1205 L CB 0.481 42.459 42.059 -0.135 0.000 1.154 1205 L HN 0.235 nan 8.230 nan 0.000 0.462 1206 A N 3.899 126.670 122.820 -0.082 0.000 2.608 1206 A HA 0.671 4.990 4.320 -0.002 0.000 0.292 1206 A C 0.520 178.120 177.584 0.028 0.000 1.066 1206 A CA -0.162 51.823 52.037 -0.086 0.000 0.676 1206 A CB 0.514 19.060 19.000 -0.757 0.000 1.277 1206 A HN 1.008 nan 8.150 nan 0.000 0.413 1207 A N 0.899 123.812 122.820 0.155 0.000 1.986 1207 A HA -0.192 4.127 4.320 -0.002 0.000 0.220 1207 A C 1.966 179.577 177.584 0.045 0.000 1.171 1207 A CA 2.159 54.265 52.037 0.115 0.000 0.640 1207 A CB -0.600 18.502 19.000 0.169 0.000 0.811 1207 A HN 1.107 nan 8.150 nan 0.000 0.451 1208 R N -1.028 119.482 120.500 0.016 0.000 2.189 1208 R HA -0.019 4.320 4.340 -0.002 0.000 0.223 1208 R C 0.637 176.930 176.300 -0.012 0.000 1.092 1208 R CA 1.496 57.591 56.100 -0.008 0.000 0.989 1208 R CB -0.416 29.868 30.300 -0.027 0.000 0.876 1208 R HN 0.356 nan 8.270 nan 0.000 0.457 1209 N N 0.126 118.827 118.700 0.003 0.000 2.280 1209 N HA 0.078 4.817 4.740 -0.002 0.000 0.192 1209 N C -0.657 174.883 175.510 0.049 0.000 1.109 1209 N CA 0.078 53.165 53.050 0.061 0.000 0.855 1209 N CB 0.438 39.003 38.487 0.130 0.000 0.974 1209 N HN 0.155 nan 8.380 nan 0.000 0.482 1210 C N 2.095 121.397 119.300 0.002 0.000 2.295 1210 C HA 0.500 4.959 4.460 -0.002 0.000 0.331 1210 C C 0.428 175.368 174.990 -0.084 0.000 1.280 1210 C CA -0.932 58.071 59.018 -0.025 0.000 1.746 1210 C CB 0.220 27.947 27.740 -0.023 0.000 2.328 1210 C HN 0.192 nan 8.230 nan 0.000 0.521 1211 M N 3.287 122.826 119.600 -0.102 0.000 2.409 1211 M HA 0.550 5.029 4.480 -0.002 0.000 0.329 1211 M C -0.634 175.543 176.300 -0.206 0.000 1.180 1211 M CA -0.650 54.555 55.300 -0.157 0.000 1.053 1211 M CB 1.263 33.770 32.600 -0.155 0.000 1.586 1211 M HN 0.422 nan 8.290 nan 0.000 0.461 1212 L N 3.051 124.121 121.223 -0.255 0.000 2.381 1212 L HA 0.424 4.763 4.340 -0.002 0.000 0.274 1212 L C -0.560 176.152 176.870 -0.264 0.000 0.988 1212 L CA -0.315 54.338 54.840 -0.311 0.000 0.824 1212 L CB 1.201 42.947 42.059 -0.523 0.000 1.263 1212 L HN 0.732 nan 8.230 nan 0.000 0.410 1213 D N 2.885 123.143 120.400 -0.238 0.000 2.529 1213 D HA 0.130 4.769 4.640 -0.002 0.000 0.273 1213 D C 0.801 176.938 176.300 -0.273 0.000 1.197 1213 D CA -0.208 53.643 54.000 -0.249 0.000 1.070 1213 D CB 0.422 41.106 40.800 -0.193 0.000 1.134 1213 D HN 0.612 nan 8.370 nan 0.000 0.590 1214 E N 0.233 120.268 120.200 -0.275 0.000 2.209 1214 E HA -0.249 4.100 4.350 -0.002 0.000 0.196 1214 E C 0.587 176.971 176.600 -0.360 0.000 0.993 1214 E CA 1.076 57.293 56.400 -0.305 0.000 0.819 1214 E CB -0.280 29.318 29.700 -0.171 0.000 0.745 1214 E HN 0.468 nan 8.360 nan 0.000 0.477 1215 K N 0.028 120.293 120.400 -0.225 0.000 2.437 1215 K HA 0.079 4.398 4.320 -0.002 0.000 0.198 1215 K C -0.336 176.283 176.600 0.032 0.000 1.024 1215 K CA -0.171 56.067 56.287 -0.081 0.000 1.148 1215 K CB -0.127 32.366 32.500 -0.012 0.000 0.860 1215 K HN 0.036 nan 8.250 nan 0.000 0.515 1216 F N 0.692 120.654 119.950 0.021 0.000 3.080 1216 F HA -0.223 4.303 4.527 -0.002 0.000 0.292 1216 F C -0.123 175.685 175.800 0.012 0.000 0.891 1216 F CA 0.563 58.554 58.000 -0.015 0.000 1.086 1216 F CB -2.751 36.287 39.000 0.063 0.000 1.095 1216 F HN -0.136 nan 8.300 nan 0.000 0.633 1217 T N 0.757 115.335 114.554 0.040 0.000 2.771 1217 T HA 0.607 4.956 4.350 -0.002 0.000 0.291 1217 T C 0.413 175.083 174.700 -0.050 0.000 0.954 1217 T CA -0.606 61.504 62.100 0.016 0.000 1.045 1217 T CB 1.766 70.620 68.868 -0.023 0.000 0.917 1217 T HN 0.017 nan 8.240 nan 0.000 0.484 1218 V N 4.964 124.862 119.914 -0.026 0.000 2.583 1218 V HA 0.324 4.443 4.120 -0.002 0.000 0.287 1218 V C 0.254 176.313 176.094 -0.058 0.000 1.051 1218 V CA -0.526 61.726 62.300 -0.079 0.000 1.010 1218 V CB 0.776 32.574 31.823 -0.042 0.000 0.988 1218 V HN 0.683 nan 8.190 nan 0.000 0.478 1219 K N 3.998 124.351 120.400 -0.077 0.000 2.507 1219 K HA 0.433 4.753 4.320 -0.002 0.000 0.253 1219 K C -0.855 175.725 176.600 -0.033 0.000 0.969 1219 K CA -0.647 55.606 56.287 -0.055 0.000 0.908 1219 K CB 1.847 34.307 32.500 -0.068 0.000 1.127 1219 K HN 0.413 nan 8.250 nan 0.000 0.437 1220 V N 2.202 122.105 119.914 -0.020 0.000 2.673 1220 V HA 0.251 4.370 4.120 -0.002 0.000 0.303 1220 V C 0.701 176.840 176.094 0.075 0.000 1.046 1220 V CA 0.374 62.687 62.300 0.021 0.000 1.126 1220 V CB 0.655 32.474 31.823 -0.008 0.000 0.934 1220 V HN 0.962 nan 8.190 nan 0.000 0.487 1221 A N 3.853 126.771 122.820 0.163 0.000 2.593 1221 A HA 0.800 5.119 4.320 -0.002 0.000 0.304 1221 A C -1.322 176.429 177.584 0.278 0.000 1.233 1221 A CA -0.447 51.695 52.037 0.175 0.000 0.661 1221 A CB 1.768 20.826 19.000 0.097 0.000 1.338 1221 A HN 0.618 nan 8.150 nan 0.000 0.495 1222 D N -0.648 119.865 120.400 0.187 0.000 2.613 1222 D HA 0.539 5.178 4.640 -0.002 0.000 0.230 1222 D C -1.809 174.612 176.300 0.202 0.000 1.365 1222 D CA -0.002 54.099 54.000 0.169 0.000 0.976 1222 D CB 1.200 42.013 40.800 0.021 0.000 1.415 1222 D HN 0.248 nan 8.370 nan 0.000 0.589 1246 P HA 0.082 nan 4.420 nan 0.000 0.244 1246 P C 1.013 178.536 177.300 0.372 0.000 1.769 1246 P CA -0.286 62.966 63.100 0.253 0.000 1.102 1246 P CB 0.502 32.285 31.700 0.138 0.000 1.937 1247 V N 1.018 121.103 119.914 0.284 0.000 2.392 1247 V HA -0.273 3.846 4.120 -0.002 0.000 0.249 1247 V C 1.782 178.002 176.094 0.209 0.000 1.059 1247 V CA 1.337 63.762 62.300 0.208 0.000 1.051 1247 V CB -1.135 30.776 31.823 0.146 0.000 0.658 1247 V HN 0.210 nan 8.190 nan 0.000 0.455 1248 K N -1.086 119.493 120.400 0.298 0.000 2.442 1248 K HA -0.069 4.251 4.320 -0.002 0.000 0.198 1248 K C 1.695 178.358 176.600 0.105 0.000 1.042 1248 K CA 1.410 57.795 56.287 0.163 0.000 0.958 1248 K CB -0.186 32.337 32.500 0.039 0.000 0.766 1248 K HN 0.706 nan 8.250 nan 0.000 0.474 1249 W N 0.478 121.921 121.300 0.239 0.000 3.008 1249 W HA 0.266 4.925 4.660 -0.001 0.000 0.355 1249 W C 0.267 176.969 176.519 0.305 0.000 1.095 1249 W CA -0.506 57.030 57.345 0.317 0.000 1.738 1249 W CB 0.300 29.922 29.460 0.270 0.000 1.091 1249 W HN -0.040 nan 8.180 nan 0.000 0.574 1250 M N 0.501 120.279 119.600 0.296 0.000 2.274 1250 M HA 0.388 4.867 4.480 -0.002 0.000 0.344 1250 M C 0.668 176.583 176.300 -0.642 0.000 1.161 1250 M CA -0.189 55.104 55.300 -0.012 0.000 1.126 1250 M CB 1.233 33.837 32.600 0.007 0.000 1.522 1250 M HN -0.254 nan 8.290 nan 0.000 0.461 1251 A N 2.551 124.852 122.820 -0.865 0.000 2.406 1251 A HA 0.224 4.544 4.320 -0.002 0.000 0.243 1251 A C 1.027 177.967 177.584 -1.074 0.000 1.082 1251 A CA -0.379 50.736 52.037 -1.537 0.000 0.786 1251 A CB 0.216 18.839 19.000 -0.628 0.000 1.029 1251 A HN 1.070 nan 8.150 nan 0.000 0.495 1252 L N 0.378 120.916 121.223 -1.142 0.000 1.989 1252 L HA -0.196 4.143 4.340 -0.002 0.000 0.211 1252 L C 2.900 179.564 176.870 -0.344 0.000 1.071 1252 L CA 2.136 56.654 54.840 -0.536 0.000 0.749 1252 L CB -0.347 41.532 42.059 -0.302 0.000 0.890 1252 L HN 1.032 nan 8.230 nan 0.000 0.431 1253 E N -0.750 119.275 120.200 -0.293 0.000 2.209 1253 E HA -0.204 4.145 4.350 -0.002 0.000 0.196 1253 E C 1.900 178.340 176.600 -0.267 0.000 0.993 1253 E CA 1.789 58.062 56.400 -0.211 0.000 0.819 1253 E CB -0.345 29.270 29.700 -0.142 0.000 0.745 1253 E HN 0.404 nan 8.360 nan 0.000 0.477 1254 S N 0.941 116.409 115.700 -0.387 0.000 2.395 1254 S HA 0.066 4.535 4.470 -0.002 0.000 0.225 1254 S C 2.123 176.493 174.600 -0.384 0.000 1.027 1254 S CA 0.642 58.516 58.200 -0.543 0.000 0.965 1254 S CB -0.189 62.526 63.200 -0.809 0.000 0.812 1254 S HN 0.197 nan 8.310 nan 0.000 0.482 1255 L N 1.224 122.265 121.223 -0.304 0.000 2.046 1255 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 1255 L C 2.644 179.430 176.870 -0.140 0.000 1.077 1255 L CA 1.330 56.059 54.840 -0.186 0.000 0.747 1255 L CB -0.479 41.475 42.059 -0.174 0.000 0.896 1255 L HN 0.341 nan 8.230 nan 0.000 0.432 1256 Q N -1.008 118.703 119.800 -0.149 0.000 2.062 1256 Q HA -0.100 4.239 4.340 -0.002 0.000 0.196 1256 Q C 1.535 177.478 176.000 -0.095 0.000 0.967 1256 Q CA 1.776 57.516 55.803 -0.105 0.000 0.832 1256 Q CB 0.016 28.698 28.738 -0.094 0.000 0.899 1256 Q HN 0.514 nan 8.270 nan 0.000 0.442 1257 T N -3.149 111.333 114.554 -0.120 0.000 3.266 1257 T HA 0.207 4.556 4.350 -0.002 0.000 0.278 1257 T C -0.127 174.514 174.700 -0.099 0.000 1.010 1257 T CA -0.398 61.647 62.100 -0.092 0.000 0.909 1257 T CB 0.415 69.236 68.868 -0.078 0.000 1.122 1257 T HN 0.060 nan 8.240 nan 0.000 0.536 1258 Q N 0.900 120.626 119.800 -0.125 0.000 2.344 1258 Q HA -0.246 4.093 4.340 -0.002 0.000 0.241 1258 Q C -0.085 175.868 176.000 -0.078 0.000 0.966 1258 Q CA 1.744 57.501 55.803 -0.077 0.000 1.143 1258 Q CB -1.863 26.918 28.738 0.071 0.000 1.684 1258 Q HN 0.906 nan 8.270 nan 0.000 0.552 1259 K N -0.330 119.947 120.400 -0.206 0.000 2.248 1259 K HA 0.537 4.856 4.320 -0.002 0.000 0.281 1259 K C -0.868 175.552 176.600 -0.300 0.000 1.054 1259 K CA -0.394 55.827 56.287 -0.109 0.000 0.903 1259 K CB 0.612 33.068 32.500 -0.073 0.000 1.077 1259 K HN -0.080 nan 8.250 nan 0.000 0.474 1260 F N 1.659 121.604 119.950 -0.009 0.000 2.422 1260 F HA 0.542 5.069 4.527 -0.002 0.000 0.333 1260 F C 0.752 176.557 175.800 0.010 0.000 1.095 1260 F CA -0.365 57.639 58.000 0.005 0.000 1.038 1260 F CB 2.049 41.053 39.000 0.006 0.000 1.156 1260 F HN 0.834 nan 8.300 nan 0.000 0.483 1261 T N -2.672 111.983 114.554 0.168 0.000 2.778 1261 T HA 0.289 4.638 4.350 -0.002 0.000 0.293 1261 T C 0.552 175.344 174.700 0.154 0.000 1.144 1261 T CA -0.551 61.621 62.100 0.119 0.000 1.010 1261 T CB 1.331 70.238 68.868 0.066 0.000 1.325 1261 T HN 0.366 nan 8.240 nan 0.000 0.515 1262 T N 0.705 115.341 114.554 0.136 0.000 2.821 1262 T HA 0.002 4.351 4.350 -0.002 0.000 0.267 1262 T C 1.710 176.513 174.700 0.171 0.000 1.046 1262 T CA 0.815 63.032 62.100 0.194 0.000 1.139 1262 T CB -0.264 68.711 68.868 0.180 0.000 0.871 1262 T HN 0.451 nan 8.240 nan 0.000 0.454 1263 K N 1.705 122.164 120.400 0.099 0.000 2.283 1263 K HA 0.045 4.364 4.320 -0.002 0.000 0.202 1263 K C 2.563 179.257 176.600 0.157 0.000 1.048 1263 K CA 0.905 57.234 56.287 0.072 0.000 0.948 1263 K CB -0.464 32.064 32.500 0.047 0.000 0.742 1263 K HN 0.514 nan 8.250 nan 0.000 0.458 1264 S N 0.472 116.275 115.700 0.170 0.000 2.470 1264 S HA -0.046 4.423 4.470 -0.002 0.000 0.225 1264 S C 1.349 176.152 174.600 0.339 0.000 1.006 1264 S CA 0.561 58.882 58.200 0.201 0.000 0.934 1264 S CB 0.124 63.358 63.200 0.057 0.000 0.778 1264 S HN 0.069 nan 8.310 nan 0.000 0.517 1265 D N 1.656 122.269 120.400 0.355 0.000 2.149 1265 D HA 0.031 4.670 4.640 -0.002 0.000 0.201 1265 D C 2.083 178.704 176.300 0.534 0.000 0.972 1265 D CA 0.802 55.081 54.000 0.465 0.000 0.835 1265 D CB -0.399 40.710 40.800 0.515 0.000 0.966 1265 D HN 0.298 nan 8.370 nan 0.000 0.476 1266 V N 1.047 121.132 119.914 0.285 0.000 2.392 1266 V HA -0.212 3.907 4.120 -0.002 0.000 0.249 1266 V C 2.162 178.452 176.094 0.327 0.000 1.059 1266 V CA 1.268 63.593 62.300 0.041 0.000 1.051 1266 V CB -0.404 31.246 31.823 -0.288 0.000 0.658 1266 V HN 0.397 nan 8.190 nan 0.000 0.455 1267 W N 1.073 122.517 121.300 0.239 0.000 2.355 1267 W HA -0.179 4.480 4.660 -0.001 0.000 0.309 1267 W C 2.523 179.325 176.519 0.472 0.000 1.206 1267 W CA 2.037 59.608 57.345 0.376 0.000 1.284 1267 W CB -0.596 29.056 29.460 0.320 0.000 1.145 1267 W HN 0.329 nan 8.180 nan 0.000 0.502 1268 S N 0.636 116.818 115.700 0.804 0.000 2.399 1268 S HA -0.220 4.249 4.470 -0.002 0.000 0.231 1268 S C 1.538 176.513 174.600 0.625 0.000 1.022 1268 S CA 1.495 60.141 58.200 0.743 0.000 0.983 1268 S CB -0.954 62.622 63.200 0.627 0.000 0.803 1268 S HN 0.321 nan 8.310 nan 0.000 0.480 1269 F N 2.583 122.783 119.950 0.416 0.000 2.234 1269 F HA 0.079 4.605 4.527 -0.002 0.000 0.299 1269 F C 2.156 178.086 175.800 0.217 0.000 1.087 1269 F CA 1.006 59.203 58.000 0.329 0.000 1.340 1269 F CB -0.838 38.405 39.000 0.404 0.000 1.031 1269 F HN 0.196 nan 8.300 nan 0.000 0.500 1270 G N -0.113 108.715 108.800 0.047 0.000 2.408 1270 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.217 1270 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.217 1270 G C 1.690 176.638 174.900 0.080 0.000 1.150 1270 G CA 1.085 45.981 45.100 -0.341 0.000 0.776 1270 G HN 0.322 nan 8.290 nan 0.000 0.542 1271 V N 0.897 121.100 119.914 0.482 0.000 2.427 1271 V HA -0.078 4.041 4.120 -0.002 0.000 0.248 1271 V C 2.635 178.907 176.094 0.297 0.000 1.051 1271 V CA 1.450 63.972 62.300 0.369 0.000 1.048 1271 V CB -0.387 31.454 31.823 0.031 0.000 0.666 1271 V HN 0.409 nan 8.190 nan 0.000 0.456 1272 L N -0.591 120.806 121.223 0.290 0.000 2.083 1272 L HA -0.168 4.171 4.340 -0.002 0.000 0.209 1272 L C 2.307 179.219 176.870 0.069 0.000 1.083 1272 L CA 1.652 56.642 54.840 0.249 0.000 0.752 1272 L CB -0.176 42.013 42.059 0.218 0.000 0.899 1272 L HN 0.237 nan 8.230 nan 0.000 0.433 1273 L N -1.488 119.648 121.223 -0.145 0.000 2.083 1273 L HA -0.247 4.092 4.340 -0.002 0.000 0.209 1273 L C 2.319 179.208 176.870 0.032 0.000 1.083 1273 L CA 1.676 56.421 54.840 -0.157 0.000 0.752 1273 L CB -0.586 41.279 42.059 -0.323 0.000 0.899 1273 L HN 0.529 nan 8.230 nan 0.000 0.433 1274 W N 1.270 122.552 121.300 -0.030 0.000 2.388 1274 W HA -0.167 4.492 4.660 -0.002 0.000 0.294 1274 W C 2.382 178.891 176.519 -0.017 0.000 1.212 1274 W CA 1.408 58.765 57.345 0.020 0.000 1.271 1274 W CB 0.074 29.594 29.460 0.101 0.000 1.126 1274 W HN 0.078 nan 8.180 nan 0.000 0.535 1275 E N 0.245 120.592 120.200 0.244 0.000 2.077 1275 E HA -0.257 4.092 4.350 -0.002 0.000 0.193 1275 E C 2.188 178.773 176.600 -0.025 0.000 0.989 1275 E CA 1.701 58.170 56.400 0.114 0.000 0.800 1275 E CB -0.621 29.250 29.700 0.285 0.000 0.746 1275 E HN 0.354 nan 8.360 nan 0.000 0.452 1276 L N 0.288 121.524 121.223 0.023 0.000 2.017 1276 L HA -0.193 4.146 4.340 -0.002 0.000 0.208 1276 L C 2.440 179.282 176.870 -0.046 0.000 1.073 1276 L CA 0.796 55.657 54.840 0.034 0.000 0.745 1276 L CB -0.255 41.849 42.059 0.075 0.000 0.894 1276 L HN 0.230 nan 8.230 nan 0.000 0.432 1277 M N -0.789 118.738 119.600 -0.121 0.000 2.476 1277 M HA -0.060 4.419 4.480 -0.002 0.000 0.262 1277 M C 2.059 178.232 176.300 -0.212 0.000 1.079 1277 M CA 1.409 56.619 55.300 -0.149 0.000 1.104 1277 M CB -1.479 31.038 32.600 -0.137 0.000 1.409 1277 M HN 0.372 nan 8.290 nan 0.000 0.467 1278 T N -3.230 111.094 114.554 -0.384 0.000 3.086 1278 T HA 0.252 4.601 4.350 -0.002 0.000 0.250 1278 T C 0.727 175.312 174.700 -0.191 0.000 1.074 1278 T CA -0.336 61.514 62.100 -0.416 0.000 0.988 1278 T CB -0.037 68.208 68.868 -1.038 0.000 0.988 1278 T HN 0.422 nan 8.240 nan 0.000 0.530 1279 R N 0.755 121.186 120.500 -0.114 0.000 3.422 1279 R HA -0.137 4.202 4.340 -0.002 0.000 0.267 1279 R C 0.963 177.259 176.300 -0.005 0.000 1.074 1279 R CA 0.359 56.446 56.100 -0.021 0.000 0.718 1279 R CB -2.327 27.974 30.300 0.002 0.000 1.157 1279 R HN 0.924 nan 8.270 nan 0.000 0.440 1280 G N -1.687 107.100 108.800 -0.022 0.000 2.149 1280 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.235 1280 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.235 1280 G C 0.205 175.121 174.900 0.027 0.000 1.018 1280 G CA 0.136 45.261 45.100 0.041 0.000 0.728 1280 G HN 0.840 nan 8.290 nan 0.000 0.508 1281 A N 0.551 123.307 122.820 -0.107 0.000 2.351 1281 A HA 0.758 5.077 4.320 -0.002 0.000 0.257 1281 A C -1.151 176.481 177.584 0.079 0.000 1.087 1281 A CA -0.730 51.234 52.037 -0.122 0.000 0.798 1281 A CB 0.547 19.180 19.000 -0.612 0.000 1.033 1281 A HN 0.313 nan 8.150 nan 0.000 0.488 1282 P HA 0.351 nan 4.420 nan 0.000 0.278 1282 P C -2.855 174.488 177.300 0.071 0.000 1.238 1282 P CA -1.626 61.569 63.100 0.158 0.000 0.794 1282 P CB 0.384 32.167 31.700 0.139 0.000 0.955 1283 P HA 0.139 nan 4.420 nan 0.000 0.276 1283 P C -0.823 176.189 177.300 -0.480 0.000 1.230 1283 P CA 0.008 62.650 63.100 -0.762 0.000 0.776 1283 P CB -0.240 30.811 31.700 -1.080 0.000 0.888 1284 Y N 1.246 121.272 120.300 -0.457 0.000 2.983 1284 Y HA -0.196 4.353 4.550 -0.002 0.000 0.185 1284 Y C -1.365 174.401 175.900 -0.223 0.000 1.476 1284 Y CA -0.584 57.308 58.100 -0.348 0.000 0.866 1284 Y CB -2.605 35.580 38.460 -0.459 0.000 1.331 1284 Y HN 0.474 nan 8.280 nan 0.000 0.403 1285 P HA -0.206 nan 4.420 nan 0.000 0.214 1285 P C 1.357 178.653 177.300 -0.007 0.000 1.163 1285 P CA 2.197 65.318 63.100 0.034 0.000 0.889 1285 P CB 0.127 31.886 31.700 0.098 0.000 0.790 1286 D N -0.252 120.135 120.400 -0.022 0.000 2.351 1286 D HA -0.083 4.556 4.640 -0.002 0.000 0.216 1286 D C 0.725 176.935 176.300 -0.150 0.000 0.968 1286 D CA 0.395 54.361 54.000 -0.057 0.000 0.899 1286 D CB -1.294 39.495 40.800 -0.019 0.000 0.907 1286 D HN 0.186 nan 8.370 nan 0.000 0.514 1287 V N -0.626 119.136 119.914 -0.253 0.000 2.461 1287 V HA 0.164 4.283 4.120 -0.002 0.000 0.275 1287 V C 0.988 176.927 176.094 -0.258 0.000 1.047 1287 V CA -0.757 61.317 62.300 -0.376 0.000 0.955 1287 V CB 0.363 31.731 31.823 -0.758 0.000 0.988 1287 V HN 0.015 nan 8.190 nan 0.000 0.471 1288 N N 3.353 121.899 118.700 -0.256 0.000 2.200 1288 N HA -0.301 4.438 4.740 -0.002 0.000 0.199 1288 N C 0.943 176.299 175.510 -0.256 0.000 0.987 1288 N CA 1.452 54.343 53.050 -0.267 0.000 0.908 1288 N CB -0.483 37.780 38.487 -0.374 0.000 1.035 1288 N HN 1.204 nan 8.380 nan 0.000 0.481 1289 T N 0.647 115.057 114.554 -0.240 0.000 1.466 1289 T HA -0.206 4.143 4.350 -0.002 0.000 0.655 1289 T C 0.794 175.493 174.700 -0.002 0.000 0.958 1289 T CA 0.376 62.421 62.100 -0.092 0.000 3.476 1289 T CB -1.056 67.808 68.868 -0.006 0.000 1.980 1289 T HN 0.307 nan 8.240 nan 0.000 0.368 1290 F N 3.418 123.357 119.950 -0.018 0.000 1.980 1290 F HA 0.144 4.671 4.527 -0.001 0.000 0.298 1290 F C 1.769 177.525 175.800 -0.073 0.000 1.255 1290 F CA 1.019 58.997 58.000 -0.036 0.000 1.179 1290 F CB -1.359 37.626 39.000 -0.025 0.000 0.957 1290 F HN 0.551 nan 8.300 nan 0.000 0.507 1291 D N -0.010 120.089 120.400 -0.501 0.000 2.920 1291 D HA -0.233 4.406 4.640 -0.002 0.000 0.219 1291 D C 1.294 177.500 176.300 -0.156 0.000 1.163 1291 D CA 1.045 54.867 54.000 -0.296 0.000 0.640 1291 D CB -1.010 39.509 40.800 -0.468 0.000 1.065 1291 D HN 0.493 nan 8.370 nan 0.000 0.413 1292 I N -0.768 119.733 120.570 -0.115 0.000 2.584 1292 I HA -0.133 4.036 4.170 -0.002 0.000 0.255 1292 I C 2.096 178.162 176.117 -0.086 0.000 1.145 1292 I CA 1.152 62.339 61.300 -0.188 0.000 1.462 1292 I CB -0.047 37.793 38.000 -0.267 0.000 1.102 1292 I HN -0.059 nan 8.210 nan 0.000 0.433 1293 T N 0.023 114.553 114.554 -0.039 0.000 2.684 1293 T HA -0.169 4.180 4.350 -0.002 0.000 0.267 1293 T C 1.992 176.683 174.700 -0.016 0.000 1.036 1293 T CA 2.039 64.118 62.100 -0.035 0.000 1.148 1293 T CB -0.441 68.420 68.868 -0.012 0.000 0.863 1293 T HN 0.191 nan 8.240 nan 0.000 0.436 1294 V N 0.210 120.128 119.914 0.006 0.000 2.427 1294 V HA -0.141 3.978 4.120 -0.002 0.000 0.248 1294 V C 1.973 178.074 176.094 0.011 0.000 1.051 1294 V CA 1.447 63.751 62.300 0.006 0.000 1.048 1294 V CB -0.693 31.136 31.823 0.009 0.000 0.666 1294 V HN 0.491 nan 8.190 nan 0.000 0.456 1295 Y N 0.503 120.730 120.300 -0.123 0.000 2.114 1295 Y HA -0.203 4.346 4.550 -0.002 0.000 0.284 1295 Y C 2.217 178.042 175.900 -0.126 0.000 1.143 1295 Y CA 1.718 59.734 58.100 -0.140 0.000 1.135 1295 Y CB -0.244 38.085 38.460 -0.219 0.000 0.980 1295 Y HN 0.128 nan 8.280 nan 0.000 0.499 1296 L N -0.518 120.677 121.223 -0.048 0.000 2.046 1296 L HA -0.253 4.086 4.340 -0.002 0.000 0.208 1296 L C 2.387 179.205 176.870 -0.086 0.000 1.077 1296 L CA 1.239 56.028 54.840 -0.085 0.000 0.747 1296 L CB -0.687 41.370 42.059 -0.003 0.000 0.896 1296 L HN 0.264 nan 8.230 nan 0.000 0.432 1297 L N -0.594 120.592 121.223 -0.060 0.000 2.353 1297 L HA -0.221 4.118 4.340 -0.002 0.000 0.220 1297 L C 2.385 179.213 176.870 -0.070 0.000 1.133 1297 L CA 0.872 55.683 54.840 -0.048 0.000 0.798 1297 L CB -0.426 41.612 42.059 -0.033 0.000 0.922 1297 L HN 0.389 nan 8.230 nan 0.000 0.445 1298 Q N 0.023 119.754 119.800 -0.115 0.000 2.436 1298 Q HA 0.011 4.350 4.340 -0.002 0.000 0.209 1298 Q C 1.040 176.963 176.000 -0.128 0.000 0.965 1298 Q CA 0.630 56.357 55.803 -0.127 0.000 0.910 1298 Q CB 0.193 28.824 28.738 -0.180 0.000 0.980 1298 Q HN 0.575 nan 8.270 nan 0.000 0.491 1299 G N 1.106 109.828 108.800 -0.129 0.000 2.392 1299 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.215 1299 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.215 1299 G C -0.623 174.199 174.900 -0.129 0.000 1.097 1299 G CA -0.526 44.515 45.100 -0.098 0.000 0.840 1299 G HN 0.122 nan 8.290 nan 0.000 0.492 1300 R N -0.568 119.819 120.500 -0.188 0.000 2.803 1300 R HA 0.888 5.227 4.340 -0.002 0.000 0.276 1300 R C -0.192 176.041 176.300 -0.112 0.000 0.978 1300 R CA -1.058 54.915 56.100 -0.212 0.000 0.939 1300 R CB 1.662 31.640 30.300 -0.537 0.000 1.179 1300 R HN 0.155 nan 8.270 nan 0.000 0.472 1301 R N 1.014 121.479 120.500 -0.058 0.000 2.799 1301 R HA 0.406 4.745 4.340 -0.002 0.000 0.270 1301 R C -0.644 175.597 176.300 -0.100 0.000 1.010 1301 R CA -1.177 54.845 56.100 -0.129 0.000 0.916 1301 R CB 1.001 31.269 30.300 -0.053 0.000 1.228 1301 R HN 0.439 nan 8.270 nan 0.000 0.469 1302 L N 1.914 122.876 121.223 -0.435 0.000 2.506 1302 L HA 0.091 4.430 4.340 -0.002 0.000 0.281 1302 L C 0.637 177.555 176.870 0.079 0.000 1.228 1302 L CA 0.242 54.787 54.840 -0.491 0.000 0.850 1302 L CB -0.011 41.270 42.059 -1.298 0.000 1.110 1302 L HN 0.250 nan 8.230 nan 0.000 0.496 1303 L N 2.198 123.519 121.223 0.163 0.000 2.453 1303 L HA 0.166 4.505 4.340 -0.002 0.000 0.261 1303 L C 0.528 177.558 176.870 0.265 0.000 1.179 1303 L CA -0.218 54.767 54.840 0.241 0.000 0.813 1303 L CB 0.432 42.608 42.059 0.195 0.000 1.110 1303 L HN 0.617 nan 8.230 nan 0.000 0.466 1304 Q N 2.421 122.044 119.800 -0.294 0.000 2.286 1304 Q HA 0.189 4.528 4.340 -0.002 0.000 0.267 1304 Q C -2.259 173.651 176.000 -0.150 0.000 1.028 1304 Q CA -1.471 53.974 55.803 -0.597 0.000 0.901 1304 Q CB 0.930 29.014 28.738 -1.091 0.000 1.183 1304 Q HN 0.255 nan 8.270 nan 0.000 0.392 1305 P HA -0.051 nan 4.420 nan 0.000 0.269 1305 P C -0.303 176.909 177.300 -0.147 0.000 1.209 1305 P CA 0.056 63.090 63.100 -0.109 0.000 0.776 1305 P CB 0.694 32.242 31.700 -0.253 0.000 0.876 1306 E N 0.961 121.053 120.200 -0.179 0.000 2.114 1306 E HA -0.273 4.076 4.350 -0.002 0.000 0.199 1306 E C 0.502 176.806 176.600 -0.494 0.000 1.008 1306 E CA 1.839 58.010 56.400 -0.381 0.000 0.810 1306 E CB -0.814 28.550 29.700 -0.559 0.000 0.739 1306 E HN 0.538 nan 8.360 nan 0.000 0.456 1307 Y N -0.016 120.229 120.300 -0.091 0.000 2.468 1307 Y HA 0.211 4.760 4.550 -0.002 0.000 0.268 1307 Y C 0.523 176.338 175.900 -0.142 0.000 1.177 1307 Y CA -0.922 57.108 58.100 -0.117 0.000 1.265 1307 Y CB 0.256 38.641 38.460 -0.126 0.000 1.103 1307 Y HN 0.107 nan 8.280 nan 0.000 0.522 1308 C N 3.765 123.036 119.300 -0.048 0.000 2.482 1308 C HA 0.408 4.867 4.460 -0.002 0.000 0.378 1308 C C -2.146 172.833 174.990 -0.019 0.000 1.284 1308 C CA -2.311 56.681 59.018 -0.044 0.000 1.826 1308 C CB -0.262 27.455 27.740 -0.039 0.000 2.473 1308 C HN 0.170 nan 8.230 nan 0.000 0.562 1309 P HA 0.178 nan 4.420 nan 0.000 0.271 1309 P C 0.309 177.670 177.300 0.102 0.000 1.218 1309 P CA 0.147 63.301 63.100 0.091 0.000 0.780 1309 P CB 0.644 32.481 31.700 0.229 0.000 0.901 1310 D N 3.116 123.572 120.400 0.093 0.000 2.106 1310 D HA -0.154 4.485 4.640 -0.002 0.000 0.191 1310 D C -0.706 175.670 176.300 0.128 0.000 0.997 1310 D CA 2.040 56.108 54.000 0.114 0.000 0.834 1310 D CB -2.024 38.822 40.800 0.078 0.000 0.956 1310 D HN 0.397 nan 8.370 nan 0.000 0.448 1311 P HA -0.111 nan 4.420 nan 0.000 0.216 1311 P C 1.735 179.082 177.300 0.078 0.000 1.150 1311 P CA 0.703 63.852 63.100 0.082 0.000 0.837 1311 P CB 0.023 31.777 31.700 0.089 0.000 0.786 1312 L N -2.165 119.120 121.223 0.104 0.000 2.109 1312 L HA -0.103 4.236 4.340 -0.002 0.000 0.207 1312 L C 2.449 179.354 176.870 0.058 0.000 1.086 1312 L CA 1.559 56.443 54.840 0.074 0.000 0.760 1312 L CB -1.287 40.818 42.059 0.075 0.000 0.910 1312 L HN -0.137 nan 8.230 nan 0.000 0.437 1313 Y N 0.748 121.028 120.300 -0.033 0.000 2.224 1313 Y HA -0.232 4.317 4.550 -0.002 0.000 0.289 1313 Y C 2.369 178.217 175.900 -0.087 0.000 1.146 1313 Y CA 1.935 60.006 58.100 -0.048 0.000 1.182 1313 Y CB -0.208 38.257 38.460 0.008 0.000 0.983 1313 Y HN 0.354 nan 8.280 nan 0.000 0.524 1314 E N -0.981 119.185 120.200 -0.057 0.000 2.118 1314 E HA -0.200 4.149 4.350 -0.002 0.000 0.195 1314 E C 2.257 178.734 176.600 -0.204 0.000 0.992 1314 E CA 1.668 57.983 56.400 -0.141 0.000 0.804 1314 E CB -0.267 29.411 29.700 -0.037 0.000 0.741 1314 E HN 0.294 nan 8.360 nan 0.000 0.458 1315 V N 0.838 120.656 119.914 -0.160 0.000 2.358 1315 V HA -0.265 3.854 4.120 -0.002 0.000 0.246 1315 V C 2.206 178.087 176.094 -0.355 0.000 1.047 1315 V CA 1.551 63.748 62.300 -0.172 0.000 1.035 1315 V CB -0.315 31.468 31.823 -0.067 0.000 0.658 1315 V HN 0.325 nan 8.190 nan 0.000 0.452 1316 M N -0.835 118.461 119.600 -0.506 0.000 2.080 1316 M HA -0.200 4.279 4.480 -0.002 0.000 0.260 1316 M C 2.135 177.681 176.300 -1.256 0.000 1.068 1316 M CA 1.971 56.664 55.300 -1.013 0.000 1.109 1316 M CB -0.426 31.588 32.600 -0.977 0.000 1.342 1316 M HN 0.267 nan 8.290 nan 0.000 0.405 1317 L N -0.402 120.329 121.223 -0.819 0.000 2.127 1317 L HA -0.242 4.097 4.340 -0.002 0.000 0.211 1317 L C 2.298 178.969 176.870 -0.331 0.000 1.089 1317 L CA 1.310 55.851 54.840 -0.498 0.000 0.757 1317 L CB -0.609 41.195 42.059 -0.424 0.000 0.899 1317 L HN 0.316 nan 8.230 nan 0.000 0.434 1318 K N -0.880 119.336 120.400 -0.307 0.000 2.155 1318 K HA -0.087 4.232 4.320 -0.002 0.000 0.203 1318 K C 2.135 178.648 176.600 -0.145 0.000 1.052 1318 K CA 1.118 57.321 56.287 -0.141 0.000 0.948 1318 K CB -0.134 32.304 32.500 -0.105 0.000 0.728 1318 K HN 0.340 nan 8.250 nan 0.000 0.448 1319 C N -0.109 118.983 119.300 -0.346 0.000 2.432 1319 C HA -0.057 4.402 4.460 -0.002 0.000 0.280 1319 C C 1.264 176.109 174.990 -0.242 0.000 1.353 1319 C CA 0.048 58.880 59.018 -0.310 0.000 1.766 1319 C CB -0.666 26.790 27.740 -0.473 0.000 1.924 1319 C HN 0.570 nan 8.230 nan 0.000 0.509 1320 W N 0.346 121.383 121.300 -0.438 0.000 3.194 1320 W HA 0.292 4.951 4.660 -0.002 0.000 0.408 1320 W C 0.923 177.251 176.519 -0.318 0.000 1.072 1320 W CA -0.801 55.996 57.345 -0.914 0.000 1.953 1320 W CB -1.589 27.153 29.460 -1.196 0.000 1.091 1320 W HN 0.420 nan 8.180 nan 0.000 0.699 1321 H N 2.399 121.498 119.070 0.048 0.000 2.972 1321 H HA -0.005 4.550 4.556 -0.002 0.000 0.343 1321 H C -1.396 174.076 175.328 0.241 0.000 1.054 1321 H CA -0.451 55.658 56.048 0.101 0.000 1.412 1321 H CB 1.387 31.181 29.762 0.053 0.000 1.385 1321 H HN -0.154 nan 8.280 nan 0.000 0.600 1322 P HA -0.049 nan 4.420 nan 0.000 0.221 1322 P C -0.335 177.168 177.300 0.338 0.000 1.150 1322 P CA 1.515 64.823 63.100 0.346 0.000 0.800 1322 P CB 0.307 32.112 31.700 0.176 0.000 0.787 1323 K N -0.165 120.509 120.400 0.456 0.000 2.299 1323 K HA 0.439 4.758 4.320 -0.002 0.000 0.268 1323 K C 1.112 177.739 176.600 0.045 0.000 1.075 1323 K CA -0.310 56.066 56.287 0.148 0.000 0.936 1323 K CB 0.926 33.442 32.500 0.027 0.000 1.228 1323 K HN -0.134 nan 8.250 nan 0.000 0.454 1324 A N 3.536 126.406 122.820 0.083 0.000 1.929 1324 A HA -0.287 4.032 4.320 -0.002 0.000 0.221 1324 A C 1.990 179.568 177.584 -0.010 0.000 1.211 1324 A CA 2.213 54.290 52.037 0.067 0.000 0.657 1324 A CB -0.394 18.634 19.000 0.047 0.000 0.827 1324 A HN 0.881 nan 8.150 nan 0.000 0.462 1325 E N -1.260 118.914 120.200 -0.043 0.000 2.333 1325 E HA -0.168 4.182 4.350 -0.002 0.000 0.198 1325 E C 1.373 177.897 176.600 -0.128 0.000 1.007 1325 E CA 1.233 57.593 56.400 -0.067 0.000 0.845 1325 E CB -0.338 29.331 29.700 -0.052 0.000 0.766 1325 E HN 0.474 nan 8.360 nan 0.000 0.507 1326 M N 0.798 120.253 119.600 -0.240 0.000 2.509 1326 M HA 0.183 4.662 4.480 -0.002 0.000 0.250 1326 M C 0.541 176.664 176.300 -0.295 0.000 1.132 1326 M CA 0.035 55.090 55.300 -0.410 0.000 1.080 1326 M CB -0.327 31.646 32.600 -1.044 0.000 1.408 1326 M HN -0.081 nan 8.290 nan 0.000 0.484 1327 R N 1.669 122.076 120.500 -0.156 0.000 2.543 1327 R HA 0.167 4.506 4.340 -0.002 0.000 0.277 1327 R C -2.098 174.145 176.300 -0.096 0.000 1.074 1327 R CA -1.356 54.706 56.100 -0.065 0.000 1.076 1327 R CB -0.121 30.179 30.300 0.000 0.000 0.993 1327 R HN 0.064 nan 8.270 nan 0.000 0.459 1328 P HA -0.045 nan 4.420 nan 0.000 0.269 1328 P C -0.501 176.688 177.300 -0.185 0.000 1.215 1328 P CA -0.124 62.908 63.100 -0.115 0.000 0.780 1328 P CB 0.836 32.476 31.700 -0.100 0.000 0.898 1329 S N 0.951 116.563 115.700 -0.147 0.000 2.634 1329 S HA 0.216 4.685 4.470 -0.002 0.000 0.261 1329 S C 0.993 175.463 174.600 -0.217 0.000 1.271 1329 S CA -0.318 57.782 58.200 -0.166 0.000 0.985 1329 S CB -0.106 63.062 63.200 -0.054 0.000 0.968 1329 S HN 0.236 nan 8.310 nan 0.000 0.568 1330 F N 0.708 120.607 119.950 -0.084 0.000 2.407 1330 F HA 0.032 4.558 4.527 -0.002 0.000 0.299 1330 F C 2.747 178.477 175.800 -0.116 0.000 1.097 1330 F CA 0.963 58.872 58.000 -0.153 0.000 1.422 1330 F CB -0.771 38.122 39.000 -0.179 0.000 1.067 1330 F HN 0.540 nan 8.300 nan 0.000 0.539 1331 S N -0.552 115.198 115.700 0.083 0.000 2.371 1331 S HA -0.208 4.261 4.470 -0.002 0.000 0.224 1331 S C 1.993 176.608 174.600 0.024 0.000 1.029 1331 S CA 1.212 59.440 58.200 0.045 0.000 0.978 1331 S CB -0.368 62.851 63.200 0.032 0.000 0.833 1331 S HN 0.496 nan 8.310 nan 0.000 0.466 1332 E N 1.207 121.407 120.200 0.001 0.000 2.106 1332 E HA -0.094 4.255 4.350 -0.002 0.000 0.192 1332 E C 1.955 178.556 176.600 0.002 0.000 0.984 1332 E CA 0.701 57.098 56.400 -0.005 0.000 0.806 1332 E CB -0.151 29.533 29.700 -0.027 0.000 0.750 1332 E HN 0.419 nan 8.360 nan 0.000 0.458 1333 L N 0.279 121.494 121.223 -0.012 0.000 2.046 1333 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 1333 L C 2.546 179.447 176.870 0.051 0.000 1.077 1333 L CA 0.775 55.624 54.840 0.016 0.000 0.747 1333 L CB -0.285 41.746 42.059 -0.048 0.000 0.896 1333 L HN 0.104 nan 8.230 nan 0.000 0.432 1334 V N -1.081 118.854 119.914 0.034 0.000 2.332 1334 V HA -0.329 3.790 4.120 -0.002 0.000 0.248 1334 V C 2.672 178.794 176.094 0.045 0.000 1.055 1334 V CA 2.062 64.383 62.300 0.035 0.000 1.038 1334 V CB -0.462 31.376 31.823 0.025 0.000 0.651 1334 V HN 0.476 nan 8.190 nan 0.000 0.450 1335 S N -0.429 115.295 115.700 0.040 0.000 2.343 1335 S HA -0.222 4.247 4.470 -0.002 0.000 0.219 1335 S C 2.200 176.833 174.600 0.054 0.000 1.033 1335 S CA 1.747 59.972 58.200 0.042 0.000 1.014 1335 S CB -0.234 62.985 63.200 0.031 0.000 0.915 1335 S HN 0.539 nan 8.310 nan 0.000 0.435 1336 R N 0.249 120.780 120.500 0.052 0.000 2.083 1336 R HA -0.017 4.322 4.340 -0.002 0.000 0.237 1336 R C 2.344 178.699 176.300 0.092 0.000 1.137 1336 R CA 1.944 58.080 56.100 0.061 0.000 0.951 1336 R CB -0.535 29.793 30.300 0.047 0.000 0.851 1336 R HN 0.493 nan 8.270 nan 0.000 0.434 1337 I N 0.651 121.287 120.570 0.110 0.000 2.394 1337 I HA -0.232 3.937 4.170 -0.002 0.000 0.251 1337 I C 2.472 178.688 176.117 0.165 0.000 1.136 1337 I CA 1.236 62.624 61.300 0.147 0.000 1.425 1337 I CB -0.348 37.754 38.000 0.169 0.000 1.079 1337 I HN 0.241 nan 8.210 nan 0.000 0.425 1338 S N 1.345 117.118 115.700 0.121 0.000 2.402 1338 S HA -0.095 4.374 4.470 -0.002 0.000 0.229 1338 S C 2.201 176.924 174.600 0.206 0.000 1.021 1338 S CA 0.789 59.074 58.200 0.142 0.000 0.974 1338 S CB -0.407 62.840 63.200 0.078 0.000 0.800 1338 S HN 0.393 nan 8.310 nan 0.000 0.484 1339 A N 2.271 125.178 122.820 0.144 0.000 1.855 1339 A HA 0.151 4.470 4.320 -0.002 0.000 0.215 1339 A C 2.226 179.889 177.584 0.132 0.000 1.191 1339 A CA 1.311 53.417 52.037 0.114 0.000 0.613 1339 A CB -0.865 18.179 19.000 0.073 0.000 0.829 1339 A HN 0.541 nan 8.150 nan 0.000 0.442 1340 I N -1.546 119.122 120.570 0.164 0.000 2.127 1340 I HA -0.284 3.886 4.170 -0.002 0.000 0.241 1340 I C 2.403 178.709 176.117 0.314 0.000 1.075 1340 I CA 1.993 63.417 61.300 0.207 0.000 1.334 1340 I CB -0.486 37.653 38.000 0.232 0.000 1.040 1340 I HN 0.466 nan 8.210 nan 0.000 0.405 1341 F N 2.165 122.222 119.950 0.179 0.000 2.120 1341 F HA -0.334 4.193 4.527 -0.001 0.000 0.300 1341 F C 2.815 178.708 175.800 0.155 0.000 1.095 1341 F CA 1.926 60.036 58.000 0.184 0.000 1.249 1341 F CB -0.426 38.628 39.000 0.090 0.000 0.995 1341 F HN 0.152 nan 8.300 nan 0.000 0.480 1342 S N -1.103 114.677 115.700 0.134 0.000 2.447 1342 S HA -0.195 4.274 4.470 -0.002 0.000 0.233 1342 S C 1.980 176.499 174.600 -0.135 0.000 1.006 1342 S CA 1.312 59.496 58.200 -0.028 0.000 0.957 1342 S CB -1.460 61.788 63.200 0.081 0.000 0.773 1342 S HN 0.639 nan 8.310 nan 0.000 0.507 1343 T N -1.661 112.798 114.554 -0.158 0.000 3.067 1343 T HA 0.261 4.610 4.350 -0.002 0.000 0.261 1343 T C 0.241 174.657 174.700 -0.472 0.000 1.110 1343 T CA -0.272 61.637 62.100 -0.320 0.000 1.113 1343 T CB -0.618 68.013 68.868 -0.394 0.000 0.917 1343 T HN 0.281 nan 8.240 nan 0.000 0.499 1344 F N 1.404 121.242 119.950 -0.186 0.000 2.377 1344 F HA 0.516 5.042 4.527 -0.002 0.000 0.328 1344 F C 1.344 176.983 175.800 -0.268 0.000 1.094 1344 F CA -1.626 56.261 58.000 -0.187 0.000 1.093 1344 F CB 1.242 40.140 39.000 -0.171 0.000 1.214 1344 F HN 0.025 nan 8.300 nan 0.000 0.518 1345 I N -1.034 119.505 120.570 -0.052 0.000 4.154 1345 I HA 0.495 4.664 4.170 -0.002 0.000 0.334 1345 I C 0.835 176.856 176.117 -0.160 0.000 1.371 1345 I CA 0.086 61.307 61.300 -0.133 0.000 1.110 1345 I CB 0.537 38.463 38.000 -0.124 0.000 1.085 1345 I HN 0.750 nan 8.210 nan 0.000 0.398 1346 G N 3.160 111.850 108.800 -0.183 0.000 2.164 1346 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.212 1346 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.212 1346 G C 0.393 175.082 174.900 -0.351 0.000 1.031 1346 G CA 0.427 45.363 45.100 -0.273 0.000 0.730 1346 G HN 0.789 nan 8.290 nan 0.000 0.501 1347 E N -0.690 119.293 120.200 -0.362 0.000 2.511 1347 E HA 0.086 4.435 4.350 -0.002 0.000 0.209 1347 E C -0.141 176.249 176.600 -0.350 0.000 0.986 1347 E CA -0.488 55.713 56.400 -0.332 0.000 0.974 1347 E CB 0.264 29.793 29.700 -0.285 0.000 1.030 1347 E HN 0.508 nan 8.360 nan 0.000 0.490 1348 H N 1.057 120.002 119.070 -0.209 0.000 2.641 1348 H HA 0.200 4.755 4.556 -0.002 0.000 0.295 1348 H C -1.132 173.968 175.328 -0.380 0.000 1.070 1348 H CA -0.568 55.393 56.048 -0.144 0.000 1.257 1348 H CB -0.139 29.589 29.762 -0.056 0.000 1.393 1348 H HN 0.101 nan 8.280 nan 0.000 0.464 1349 Y N 1.383 121.590 120.300 -0.155 0.000 2.319 1349 Y HA 0.121 4.671 4.550 -0.002 0.000 0.328 1349 Y C 0.738 176.110 175.900 -0.879 0.000 1.133 1349 Y CA -0.366 57.489 58.100 -0.408 0.000 1.265 1349 Y CB 0.973 39.236 38.460 -0.328 0.000 1.218 1349 Y HN 0.261 nan 8.280 nan 0.000 0.508 1350 V N 5.075 124.554 119.914 -0.725 0.000 2.407 1350 V HA 0.211 4.330 4.120 -0.002 0.000 0.278 1350 V C -0.042 175.518 176.094 -0.888 0.000 1.037 1350 V CA -0.730 60.990 62.300 -0.967 0.000 0.900 1350 V CB 0.175 31.725 31.823 -0.454 0.000 0.983 1350 V HN 0.710 nan 8.190 nan 0.000 0.459 1351 H N 2.604 121.312 119.070 -0.604 0.000 2.567 1351 H HA 0.533 5.088 4.556 -0.002 0.000 0.345 1351 H C -0.045 175.306 175.328 0.038 0.000 1.169 1351 H CA -0.669 55.283 56.048 -0.160 0.000 1.227 1351 H CB 2.120 31.842 29.762 -0.067 0.000 1.607 1351 H HN 0.574 nan 8.280 nan 0.000 0.534 1352 V N 0.471 120.489 119.914 0.173 0.000 2.811 1352 V HA 0.126 4.245 4.120 -0.002 0.000 0.302 1352 V C 0.640 176.827 176.094 0.156 0.000 1.063 1352 V CA -0.768 61.618 62.300 0.144 0.000 1.088 1352 V CB 0.836 32.717 31.823 0.097 0.000 0.982 1352 V HN 0.656 nan 8.190 nan 0.000 0.485 1353 N N 3.324 122.116 118.700 0.152 0.000 2.422 1353 N HA 0.339 5.079 4.740 -0.002 0.000 0.264 1353 N C 1.038 176.517 175.510 -0.052 0.000 1.063 1353 N CA 0.439 53.495 53.050 0.010 0.000 0.959 1353 N CB 1.642 40.035 38.487 -0.157 0.000 1.087 1353 N HN 1.003 nan 8.380 nan 0.000 0.483 1354 A N 3.014 125.795 122.820 -0.065 0.000 1.927 1354 A HA -0.234 4.085 4.320 -0.002 0.000 0.220 1354 A C 1.976 179.512 177.584 -0.080 0.000 1.185 1354 A CA 2.629 54.635 52.037 -0.053 0.000 0.639 1354 A CB -1.099 17.869 19.000 -0.052 0.000 0.820 1354 A HN 0.819 nan 8.150 nan 0.000 0.451 1355 T N -4.594 109.842 114.554 -0.198 0.000 3.085 1355 T HA -0.029 4.320 4.350 -0.002 0.000 0.263 1355 T C 1.454 176.097 174.700 -0.096 0.000 1.127 1355 T CA 1.251 63.234 62.100 -0.195 0.000 1.103 1355 T CB -0.401 68.318 68.868 -0.248 0.000 0.921 1355 T HN 0.459 nan 8.240 nan 0.000 0.510 1356 Y N 0.919 121.243 120.300 0.041 0.000 2.503 1356 Y HA 0.472 5.022 4.550 -0.001 0.000 0.277 1356 Y C 1.400 177.327 175.900 0.046 0.000 1.102 1356 Y CA -1.750 56.381 58.100 0.052 0.000 1.261 1356 Y CB -0.528 37.956 38.460 0.040 0.000 1.096 1356 Y HN 0.019 nan 8.280 nan 0.000 0.546 1357 V N 3.168 123.181 119.914 0.165 0.000 2.644 1357 V HA -0.122 3.997 4.120 -0.002 0.000 0.305 1357 V C 0.672 176.819 176.094 0.089 0.000 1.053 1357 V CA 0.792 63.157 62.300 0.108 0.000 1.186 1357 V CB -0.055 31.808 31.823 0.066 0.000 0.895 1357 V HN 0.650 nan 8.190 nan 0.000 0.490 1358 N N 1.422 120.170 118.700 0.080 0.000 2.955 1358 N HA -0.164 4.575 4.740 -0.002 0.000 0.230 1358 N C -0.033 175.524 175.510 0.077 0.000 0.891 1358 N CA 1.092 54.182 53.050 0.067 0.000 1.002 1358 N CB -1.117 37.400 38.487 0.051 0.000 1.063 1358 N HN 0.464 nan 8.380 nan 0.000 0.601 1359 V N 2.478 122.454 119.914 0.103 0.000 2.572 1359 V HA 0.068 4.187 4.120 -0.002 0.000 0.291 1359 V C 1.097 177.253 176.094 0.104 0.000 1.039 1359 V CA 0.289 62.655 62.300 0.109 0.000 1.055 1359 V CB 1.158 33.072 31.823 0.152 0.000 0.969 1359 V HN 0.042 nan 8.190 nan 0.000 0.482 1360 K N 0.000 120.454 120.400 0.090 0.000 2.780 1360 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 1360 K CA 0.000 56.342 56.287 0.092 0.000 0.838 1360 K CB 0.000 32.546 32.500 0.076 0.000 1.064 1360 K HN 0.000 nan 8.250 nan 0.000 0.543