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 1vzx_1_B DATA FIRST_RESID 1082 DATA SEQUENCE KLKLSDWFNP FKRPEVVTMT KWKAPVVWEG TYNRAVLDNY YAKQKITVGL DATA SEQUENCE TVFAVGRYIE HYLEEFLTSA NKHFMVGHPV IFYIMVDDVS RMPLIELGPL DATA SEQUENCE RSFKVFKIKP EKRWQDISMM RMKTIGEHIV AHIQHEVDFL FCMDVDQVFQ DATA SEQUENCE DKFGVETLGE SVAQLQAWWY KADPNDFTYE RRKESAAYIP FGEGDFYYHA DATA SEQUENCE AIFGGTPTQV LNITQECFKG ILKDKKNDIE AQYHDESHLN KYFLLNKPTK DATA SEQUENCE ILSPEYCWDY HIGLPADIKL VKMSWQTKEY NVVRNNV 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 1082 K HA 0.000 nan 4.320 nan 0.000 0.191 1082 K C 0.000 176.611 176.600 0.019 0.000 0.988 1082 K CA 0.000 56.351 56.287 0.106 0.000 0.838 1082 K CB 0.000 32.616 32.500 0.194 0.000 1.064 1083 L N 3.167 124.330 121.223 -0.100 0.000 2.455 1083 L HA 0.345 5.020 4.340 0.559 0.000 0.272 1083 L C -0.326 176.503 176.870 -0.068 0.000 1.174 1083 L CA 0.735 55.376 54.840 -0.333 0.000 0.869 1083 L CB 0.600 42.190 42.059 -0.780 0.000 1.130 1083 L HN 0.250 nan 8.230 nan 0.000 0.474 1084 K N 3.588 123.984 120.400 -0.006 0.000 2.203 1084 K HA 0.245 4.901 4.320 0.559 0.000 0.251 1084 K C 0.720 177.395 176.600 0.125 0.000 0.944 1084 K CA -0.823 55.500 56.287 0.060 0.000 0.829 1084 K CB 1.560 34.081 32.500 0.034 0.000 1.125 1084 K HN 0.641 nan 8.250 nan 0.000 0.430 1085 L N 3.070 124.347 121.223 0.091 0.000 2.042 1085 L HA -0.187 4.488 4.340 0.559 0.000 0.210 1085 L C 1.981 178.678 176.870 -0.287 0.000 1.076 1085 L CA 2.530 57.336 54.840 -0.057 0.000 0.749 1085 L CB -0.643 41.387 42.059 -0.049 0.000 0.893 1085 L HN 0.876 nan 8.230 nan 0.000 0.432 1086 S N -1.856 113.781 115.700 -0.105 0.000 2.469 1086 S HA -0.165 4.640 4.470 0.559 0.000 0.238 1086 S C 1.620 176.181 174.600 -0.066 0.000 0.998 1086 S CA 0.999 59.146 58.200 -0.088 0.000 0.957 1086 S CB -0.776 62.413 63.200 -0.019 0.000 0.764 1086 S HN 0.515 nan 8.310 nan 0.000 0.514 1087 D N 1.148 121.544 120.400 -0.006 0.000 2.178 1087 D HA -0.057 4.918 4.640 0.559 0.000 0.201 1087 D C 1.578 177.978 176.300 0.167 0.000 0.980 1087 D CA 1.346 55.394 54.000 0.080 0.000 0.842 1087 D CB -0.174 40.691 40.800 0.108 0.000 0.948 1087 D HN 0.900 nan 8.370 nan 0.000 0.472 1088 W N -1.619 119.723 121.300 0.070 0.000 2.413 1088 W HA 0.299 5.286 4.660 0.545 0.000 0.288 1088 W C -0.544 176.112 176.519 0.228 0.000 0.958 1088 W CA -0.524 56.895 57.345 0.124 0.000 1.333 1088 W CB -0.185 29.338 29.460 0.106 0.000 1.002 1088 W HN -0.260 nan 8.180 nan 0.000 0.562 1089 F N 4.276 123.686 119.950 -0.900 0.000 2.449 1089 F HA 0.504 5.362 4.527 0.552 0.000 0.342 1089 F C -0.721 174.845 175.800 -0.390 0.000 1.127 1089 F CA -1.351 56.150 58.000 -0.831 0.000 0.975 1089 F CB 1.079 39.207 39.000 -1.454 0.000 1.146 1089 F HN -0.236 nan 8.300 nan 0.000 0.444 1090 N N 8.221 126.439 118.700 -0.804 0.000 2.623 1090 N HA 0.335 5.410 4.740 0.559 0.000 0.256 1090 N C -2.186 172.808 175.510 -0.860 0.000 1.045 1090 N CA -2.385 50.317 53.050 -0.579 0.000 0.863 1090 N CB 1.805 40.154 38.487 -0.230 0.000 1.182 1090 N HN 0.273 nan 8.380 nan 0.000 0.523 1091 P HA -0.070 nan 4.420 nan 0.000 0.222 1091 P C 0.927 177.812 177.300 -0.692 0.000 1.147 1091 P CA 0.861 63.386 63.100 -0.958 0.000 0.790 1091 P CB -0.017 31.190 31.700 -0.821 0.000 0.780 1092 F N 0.452 120.244 119.950 -0.262 0.000 2.546 1092 F HA 0.005 4.871 4.527 0.564 0.000 0.298 1092 F C 2.177 177.875 175.800 -0.170 0.000 1.120 1092 F CA 0.611 58.504 58.000 -0.178 0.000 1.456 1092 F CB -0.663 38.251 39.000 -0.144 0.000 1.088 1092 F HN -0.184 nan 8.300 nan 0.000 0.572 1093 K N 0.259 120.599 120.400 -0.099 0.000 2.288 1093 K HA 0.047 4.702 4.320 0.559 0.000 0.201 1093 K C 0.477 177.006 176.600 -0.118 0.000 1.048 1093 K CA 0.656 56.885 56.287 -0.098 0.000 0.956 1093 K CB 0.037 32.458 32.500 -0.132 0.000 0.746 1093 K HN 0.099 nan 8.250 nan 0.000 0.461 1094 R N 0.814 121.213 120.500 -0.168 0.000 2.629 1094 R HA 0.163 4.838 4.340 0.559 0.000 0.277 1094 R C -2.083 174.078 176.300 -0.232 0.000 1.637 1094 R CA -1.490 54.486 56.100 -0.207 0.000 1.663 1094 R CB 0.813 30.963 30.300 -0.250 0.000 1.228 1094 R HN -0.028 nan 8.270 nan 0.000 0.632 1095 P HA -0.066 nan 4.420 nan 0.000 0.223 1095 P C 0.287 177.506 177.300 -0.135 0.000 1.151 1095 P CA 0.856 63.885 63.100 -0.119 0.000 0.787 1095 P CB 0.637 32.309 31.700 -0.048 0.000 0.788 1096 E N 0.238 120.334 120.200 -0.174 0.000 2.489 1096 E HA 0.093 4.778 4.350 0.559 0.000 0.193 1096 E C 0.967 177.437 176.600 -0.217 0.000 1.057 1096 E CA 0.045 56.348 56.400 -0.162 0.000 0.866 1096 E CB 0.165 29.781 29.700 -0.140 0.000 0.916 1096 E HN 0.288 nan 8.360 nan 0.000 0.500 1097 V N -3.441 116.270 119.914 -0.337 0.000 3.141 1097 V HA 0.488 4.944 4.120 0.559 0.000 0.312 1097 V C 0.226 176.187 176.094 -0.222 0.000 1.157 1097 V CA -1.304 60.752 62.300 -0.406 0.000 1.041 1097 V CB 1.902 33.015 31.823 -1.184 0.000 1.071 1097 V HN -0.262 nan 8.190 nan 0.000 0.441 1098 V N 2.385 122.316 119.914 0.028 0.000 2.446 1098 V HA 0.276 4.731 4.120 0.559 0.000 0.276 1098 V C 1.508 177.746 176.094 0.240 0.000 1.030 1098 V CA 0.973 63.378 62.300 0.175 0.000 1.033 1098 V CB 0.373 32.413 31.823 0.361 0.000 0.993 1098 V HN 1.212 nan 8.190 nan 0.000 0.477 1099 T N 1.319 115.955 114.554 0.136 0.000 2.985 1099 T HA 0.392 5.077 4.350 0.559 0.000 0.254 1099 T C 0.354 175.187 174.700 0.220 0.000 1.021 1099 T CA -0.137 62.112 62.100 0.248 0.000 0.957 1099 T CB 0.414 69.334 68.868 0.086 0.000 1.047 1099 T HN 0.319 nan 8.240 nan 0.000 0.511 1100 M N 2.756 122.409 119.600 0.088 0.000 2.446 1100 M HA 0.441 5.256 4.480 0.559 0.000 0.294 1100 M C -0.380 175.875 176.300 -0.074 0.000 1.158 1100 M CA -0.435 54.858 55.300 -0.013 0.000 0.899 1100 M CB 2.319 34.906 32.600 -0.022 0.000 1.687 1100 M HN 0.314 nan 8.290 nan 0.000 0.455 1101 T N -1.826 112.557 114.554 -0.285 0.000 2.897 1101 T HA 0.397 5.082 4.350 0.559 0.000 0.278 1101 T C 0.941 175.402 174.700 -0.397 0.000 0.981 1101 T CA -0.686 61.117 62.100 -0.495 0.000 0.973 1101 T CB 1.714 69.688 68.868 -1.490 0.000 1.092 1101 T HN 0.812 nan 8.240 nan 0.000 0.543 1102 K N -0.322 119.919 120.400 -0.266 0.000 2.209 1102 K HA -0.080 4.575 4.320 0.559 0.000 0.204 1102 K C 1.068 177.766 176.600 0.163 0.000 1.048 1102 K CA 1.307 57.629 56.287 0.058 0.000 0.940 1102 K CB -0.185 32.471 32.500 0.259 0.000 0.729 1102 K HN 0.881 nan 8.250 nan 0.000 0.451 1103 W N 0.931 122.300 121.300 0.116 0.000 3.194 1103 W HA 0.381 5.372 4.660 0.553 0.000 0.408 1103 W C -0.547 176.017 176.519 0.076 0.000 1.072 1103 W CA -0.768 56.630 57.345 0.088 0.000 1.953 1103 W CB 0.552 30.065 29.460 0.088 0.000 1.091 1103 W HN -0.160 nan 8.180 nan 0.000 0.699 1104 K N -0.739 119.590 120.400 -0.117 0.000 3.339 1104 K HA -0.225 4.431 4.320 0.559 0.000 0.299 1104 K C 0.224 176.741 176.600 -0.138 0.000 1.270 1104 K CA 1.259 57.494 56.287 -0.087 0.000 0.875 1104 K CB -2.223 30.296 32.500 0.031 0.000 1.298 1104 K HN 0.511 nan 8.250 nan 0.000 0.485 1105 A N 1.734 124.348 122.820 -0.343 0.000 2.327 1105 A HA 0.589 5.244 4.320 0.559 0.000 0.283 1105 A C -1.979 175.437 177.584 -0.280 0.000 1.127 1105 A CA -1.142 50.760 52.037 -0.224 0.000 0.810 1105 A CB 0.534 19.449 19.000 -0.142 0.000 1.066 1105 A HN -0.017 nan 8.150 nan 0.000 0.492 1106 P HA 0.329 nan 4.420 nan 0.000 0.282 1106 P C -0.890 176.201 177.300 -0.348 0.000 1.249 1106 P CA -0.228 62.537 63.100 -0.558 0.000 0.806 1106 P CB 1.381 32.309 31.700 -1.287 0.000 0.984 1107 V N 3.611 123.436 119.914 -0.148 0.000 2.313 1107 V HA 0.100 4.555 4.120 0.559 0.000 0.278 1107 V C 0.455 176.661 176.094 0.187 0.000 1.017 1107 V CA -0.780 61.520 62.300 -0.000 0.000 0.823 1107 V CB 1.451 33.376 31.823 0.171 0.000 1.010 1107 V HN 0.264 nan 8.190 nan 0.000 0.443 1108 V N 5.086 125.012 119.914 0.020 0.000 2.421 1108 V HA 0.192 4.647 4.120 0.559 0.000 0.271 1108 V C -0.314 175.911 176.094 0.218 0.000 1.031 1108 V CA -0.078 62.361 62.300 0.232 0.000 1.032 1108 V CB -0.231 31.626 31.823 0.058 0.000 1.009 1108 V HN 0.819 nan 8.190 nan 0.000 0.477 1109 W N 2.072 123.592 121.300 0.366 0.000 2.706 1109 W HA 0.561 5.630 4.660 0.681 0.000 0.346 1109 W C 0.257 176.941 176.519 0.275 0.000 1.071 1109 W CA -1.012 56.485 57.345 0.254 0.000 1.206 1109 W CB 1.001 30.529 29.460 0.114 0.000 1.413 1109 W HN 0.452 nan 8.180 nan 0.000 0.542 1110 E N 0.756 121.206 120.200 0.418 0.000 2.465 1110 E HA 0.327 5.012 4.350 0.559 0.000 0.260 1110 E C 1.057 177.687 176.600 0.049 0.000 0.980 1110 E CA 1.993 58.524 56.400 0.217 0.000 0.927 1110 E CB 0.271 30.031 29.700 0.100 0.000 0.934 1110 E HN 0.663 nan 8.360 nan 0.000 0.459 1111 G N 2.912 111.588 108.800 -0.205 0.000 2.254 1111 G HA2 -0.334 3.961 3.960 0.559 0.000 0.225 1111 G HA3 -0.334 3.961 3.960 0.559 0.000 0.225 1111 G C 1.021 175.807 174.900 -0.191 0.000 1.003 1111 G CA 0.790 45.771 45.100 -0.199 0.000 0.622 1111 G HN 0.849 nan 8.290 nan 0.000 0.507 1112 T N -1.401 113.099 114.554 -0.090 0.000 3.067 1112 T HA 0.439 5.124 4.350 0.559 0.000 0.257 1112 T C 0.930 175.644 174.700 0.023 0.000 1.105 1112 T CA 1.113 63.140 62.100 -0.121 0.000 1.104 1112 T CB -0.118 68.691 68.868 -0.099 0.000 0.925 1112 T HN 1.321 nan 8.240 nan 0.000 0.498 1113 Y N 0.275 120.715 120.300 0.232 0.000 2.420 1113 Y HA 0.728 5.614 4.550 0.560 0.000 0.334 1113 Y C -0.357 175.706 175.900 0.272 0.000 1.094 1113 Y CA -2.473 55.857 58.100 0.384 0.000 1.126 1113 Y CB 0.780 39.552 38.460 0.520 0.000 1.217 1113 Y HN -0.156 nan 8.280 nan 0.000 0.462 1114 N N 3.689 122.692 118.700 0.505 0.000 2.817 1114 N HA 0.162 5.237 4.740 0.559 0.000 0.234 1114 N C 0.672 176.427 175.510 0.408 0.000 1.066 1114 N CA -0.237 53.016 53.050 0.338 0.000 0.926 1114 N CB 0.508 39.149 38.487 0.256 0.000 1.176 1114 N HN 0.991 nan 8.380 nan 0.000 0.506 1115 R N 2.439 123.210 120.500 0.451 0.000 2.092 1115 R HA -0.062 4.613 4.340 0.559 0.000 0.231 1115 R C 1.652 178.089 176.300 0.229 0.000 1.119 1115 R CA 1.580 57.880 56.100 0.332 0.000 0.970 1115 R CB 0.070 30.573 30.300 0.338 0.000 0.864 1115 R HN 0.536 nan 8.270 nan 0.000 0.440 1116 A N 0.224 123.164 122.820 0.200 0.000 1.908 1116 A HA -0.139 4.516 4.320 0.559 0.000 0.218 1116 A C 2.220 179.897 177.584 0.155 0.000 1.181 1116 A CA 1.708 53.838 52.037 0.154 0.000 0.627 1116 A CB -0.593 18.480 19.000 0.121 0.000 0.818 1116 A HN 0.227 nan 8.150 nan 0.000 0.445 1117 V N -0.013 120.001 119.914 0.166 0.000 2.343 1117 V HA -0.238 4.217 4.120 0.559 0.000 0.247 1117 V C 2.554 178.736 176.094 0.148 0.000 1.051 1117 V CA 1.937 64.329 62.300 0.153 0.000 1.036 1117 V CB -0.661 31.264 31.823 0.169 0.000 0.654 1117 V HN 0.569 nan 8.190 nan 0.000 0.451 1118 L N -0.604 120.710 121.223 0.151 0.000 2.072 1118 L HA -0.128 4.547 4.340 0.559 0.000 0.205 1118 L C 2.393 179.414 176.870 0.251 0.000 1.079 1118 L CA 1.374 56.281 54.840 0.112 0.000 0.752 1118 L CB -0.738 41.357 42.059 0.060 0.000 0.906 1118 L HN 0.317 nan 8.230 nan 0.000 0.436 1119 D N 0.129 120.689 120.400 0.267 0.000 2.123 1119 D HA -0.214 4.761 4.640 0.559 0.000 0.196 1119 D C 1.873 178.357 176.300 0.306 0.000 0.992 1119 D CA 1.470 55.693 54.000 0.371 0.000 0.833 1119 D CB -0.187 40.780 40.800 0.278 0.000 0.954 1119 D HN 0.280 nan 8.370 nan 0.000 0.455 1120 N N -0.369 118.451 118.700 0.200 0.000 2.084 1120 N HA -0.220 4.855 4.740 0.559 0.000 0.190 1120 N C 1.860 177.454 175.510 0.140 0.000 1.030 1120 N CA 0.981 54.119 53.050 0.147 0.000 0.849 1120 N CB -0.383 38.176 38.487 0.120 0.000 1.012 1120 N HN 0.147 nan 8.380 nan 0.000 0.423 1121 Y N -0.005 120.289 120.300 -0.010 0.000 2.097 1121 Y HA -0.237 4.647 4.550 0.557 0.000 0.282 1121 Y C 1.649 177.481 175.900 -0.113 0.000 1.152 1121 Y CA 1.906 59.932 58.100 -0.124 0.000 1.136 1121 Y CB -0.744 37.533 38.460 -0.304 0.000 0.975 1121 Y HN 0.221 nan 8.280 nan 0.000 0.498 1122 Y N -0.640 119.685 120.300 0.041 0.000 2.314 1122 Y HA -0.101 4.785 4.550 0.560 0.000 0.293 1122 Y C 2.602 178.524 175.900 0.037 0.000 1.129 1122 Y CA 0.602 58.669 58.100 -0.055 0.000 1.201 1122 Y CB -0.534 37.861 38.460 -0.107 0.000 0.999 1122 Y HN 0.246 nan 8.280 nan 0.000 0.541 1123 A N 0.573 123.571 122.820 0.297 0.000 1.933 1123 A HA -0.214 4.441 4.320 0.559 0.000 0.218 1123 A C 2.076 179.704 177.584 0.074 0.000 1.175 1123 A CA 1.709 53.865 52.037 0.199 0.000 0.628 1123 A CB -0.433 18.640 19.000 0.120 0.000 0.814 1123 A HN 0.382 nan 8.150 nan 0.000 0.444 1124 K N -0.487 119.917 120.400 0.007 0.000 2.211 1124 K HA -0.102 4.553 4.320 0.559 0.000 0.203 1124 K C 1.867 178.427 176.600 -0.068 0.000 1.050 1124 K CA 1.312 57.574 56.287 -0.042 0.000 0.945 1124 K CB -0.097 32.358 32.500 -0.074 0.000 0.732 1124 K HN 0.614 nan 8.250 nan 0.000 0.451 1125 Q N 0.619 120.360 119.800 -0.099 0.000 2.425 1125 Q HA 0.047 4.722 4.340 0.559 0.000 0.204 1125 Q C -0.605 175.407 176.000 0.019 0.000 0.933 1125 Q CA 0.092 55.852 55.803 -0.072 0.000 0.939 1125 Q CB 0.258 28.927 28.738 -0.115 0.000 1.044 1125 Q HN 0.120 nan 8.270 nan 0.000 0.513 1126 K N 1.558 121.990 120.400 0.052 0.000 3.689 1126 K HA -0.184 4.472 4.320 0.559 0.000 0.276 1126 K C -0.095 176.556 176.600 0.085 0.000 0.932 1126 K CA 0.270 56.599 56.287 0.071 0.000 0.758 1126 K CB -2.009 30.514 32.500 0.038 0.000 1.500 1126 K HN 0.436 nan 8.250 nan 0.000 0.448 1127 I N -2.752 117.893 120.570 0.124 0.000 2.834 1127 I HA 0.453 4.958 4.170 0.559 0.000 0.305 1127 I C 0.204 176.372 176.117 0.085 0.000 1.008 1127 I CA -0.422 60.941 61.300 0.106 0.000 1.273 1127 I CB 1.678 39.753 38.000 0.125 0.000 1.432 1127 I HN -0.017 nan 8.210 nan 0.000 0.557 1128 T N 3.074 117.672 114.554 0.072 0.000 2.886 1128 T HA 0.550 5.236 4.350 0.559 0.000 0.292 1128 T C -0.642 174.109 174.700 0.085 0.000 1.012 1128 T CA -0.433 61.704 62.100 0.062 0.000 0.982 1128 T CB 1.964 70.865 68.868 0.055 0.000 1.018 1128 T HN 0.451 nan 8.240 nan 0.000 0.451 1129 V N 2.162 122.124 119.914 0.080 0.000 2.555 1129 V HA 0.815 5.270 4.120 0.559 0.000 0.302 1129 V C 0.711 176.941 176.094 0.227 0.000 1.038 1129 V CA -0.675 61.723 62.300 0.163 0.000 0.887 1129 V CB 1.852 33.734 31.823 0.097 0.000 0.991 1129 V HN 1.033 nan 8.190 nan 0.000 0.434 1130 G N 2.751 111.737 108.800 0.310 0.000 2.461 1130 G HA2 0.700 4.995 3.960 0.559 0.000 0.329 1130 G HA3 0.700 4.995 3.960 0.559 0.000 0.329 1130 G C -1.537 173.610 174.900 0.411 0.000 1.170 1130 G CA -0.520 44.794 45.100 0.357 0.000 0.935 1130 G HN 0.627 nan 8.290 nan 0.000 0.492 1131 L N 0.928 122.362 121.223 0.352 0.000 2.580 1131 L HA 0.528 5.203 4.340 0.559 0.000 0.266 1131 L C 0.198 177.265 176.870 0.329 0.000 0.955 1131 L CA -0.447 54.553 54.840 0.268 0.000 0.886 1131 L CB 1.743 43.819 42.059 0.029 0.000 1.263 1131 L HN 0.773 nan 8.230 nan 0.000 0.406 1132 T N 1.724 116.424 114.554 0.245 0.000 2.875 1132 T HA 0.793 5.478 4.350 0.559 0.000 0.284 1132 T C -0.599 174.141 174.700 0.067 0.000 0.995 1132 T CA -0.712 61.489 62.100 0.168 0.000 1.060 1132 T CB 1.766 70.686 68.868 0.088 0.000 0.967 1132 T HN 0.726 nan 8.240 nan 0.000 0.476 1133 V N 3.362 123.260 119.914 -0.028 0.000 2.891 1133 V HA 0.660 5.115 4.120 0.559 0.000 0.304 1133 V C -1.987 174.028 176.094 -0.132 0.000 1.171 1133 V CA -1.072 61.162 62.300 -0.110 0.000 0.943 1133 V CB 1.636 33.245 31.823 -0.357 0.000 1.037 1133 V HN 0.910 nan 8.190 nan 0.000 0.427 1134 F N 4.486 124.341 119.950 -0.159 0.000 2.450 1134 F HA 0.892 5.752 4.527 0.554 0.000 0.332 1134 F C 0.523 176.269 175.800 -0.090 0.000 1.093 1134 F CA -0.213 57.727 58.000 -0.100 0.000 1.003 1134 F CB 2.264 41.205 39.000 -0.099 0.000 1.151 1134 F HN 0.703 nan 8.300 nan 0.000 0.474 1135 A N 2.727 125.619 122.820 0.119 0.000 2.530 1135 A HA 0.708 5.363 4.320 0.559 0.000 0.279 1135 A C -1.799 175.851 177.584 0.109 0.000 1.109 1135 A CA -0.529 51.582 52.037 0.123 0.000 0.763 1135 A CB 0.649 19.713 19.000 0.107 0.000 1.257 1135 A HN 0.496 nan 8.150 nan 0.000 0.424 1136 V N 2.399 122.359 119.914 0.076 0.000 2.540 1136 V HA 0.833 5.288 4.120 0.559 0.000 0.302 1136 V C 0.990 177.141 176.094 0.095 0.000 1.035 1136 V CA 0.743 63.081 62.300 0.063 0.000 0.873 1136 V CB 0.911 32.748 31.823 0.023 0.000 0.992 1136 V HN 2.277 nan 8.190 nan 0.000 0.428 1137 G N 5.033 113.894 108.800 0.103 0.000 2.525 1137 G HA2 -0.234 4.061 3.960 0.559 0.000 0.248 1137 G HA3 -0.234 4.061 3.960 0.559 0.000 0.248 1137 G C 0.666 175.653 174.900 0.144 0.000 1.238 1137 G CA 0.403 45.574 45.100 0.119 0.000 0.926 1137 G HN 0.642 nan 8.290 nan 0.000 0.574 1138 R N -0.529 120.050 120.500 0.133 0.000 2.293 1138 R HA 0.008 4.683 4.340 0.559 0.000 0.219 1138 R C 2.222 178.540 176.300 0.031 0.000 1.091 1138 R CA 1.381 57.512 56.100 0.051 0.000 1.004 1138 R CB -0.288 29.968 30.300 -0.072 0.000 0.865 1138 R HN 0.612 nan 8.270 nan 0.000 0.469 1139 Y N 0.543 120.832 120.300 -0.020 0.000 2.403 1139 Y HA -0.193 4.690 4.550 0.554 0.000 0.291 1139 Y C 2.159 178.097 175.900 0.064 0.000 1.143 1139 Y CA 0.759 58.896 58.100 0.061 0.000 1.257 1139 Y CB -0.120 38.437 38.460 0.161 0.000 0.984 1139 Y HN 0.028 nan 8.280 nan 0.000 0.550 1140 I N -0.199 120.484 120.570 0.188 0.000 2.090 1140 I HA -0.277 4.228 4.170 0.559 0.000 0.236 1140 I C 2.013 178.167 176.117 0.062 0.000 1.064 1140 I CA 1.470 62.838 61.300 0.114 0.000 1.324 1140 I CB -0.322 37.728 38.000 0.083 0.000 1.044 1140 I HN 0.104 nan 8.210 nan 0.000 0.399 1141 E N -0.063 120.163 120.200 0.043 0.000 2.110 1141 E HA -0.190 4.495 4.350 0.559 0.000 0.193 1141 E C 2.141 178.701 176.600 -0.066 0.000 0.988 1141 E CA 1.095 57.498 56.400 0.004 0.000 0.804 1141 E CB -0.281 29.432 29.700 0.022 0.000 0.745 1141 E HN 0.508 nan 8.360 nan 0.000 0.458 1142 H N -1.908 116.979 119.070 -0.305 0.000 2.363 1142 H HA -0.025 4.865 4.556 0.557 0.000 0.301 1142 H C 0.984 175.961 175.328 -0.586 0.000 1.074 1142 H CA 1.476 57.154 56.048 -0.618 0.000 1.354 1142 H CB 0.304 29.353 29.762 -1.188 0.000 1.397 1142 H HN 0.316 nan 8.280 nan 0.000 0.516 1143 Y N -1.754 118.619 120.300 0.122 0.000 2.494 1143 Y HA -0.003 4.888 4.550 0.568 0.000 0.271 1143 Y C 2.051 178.018 175.900 0.111 0.000 1.113 1143 Y CA -0.406 57.756 58.100 0.103 0.000 1.240 1143 Y CB 0.199 38.716 38.460 0.095 0.000 1.268 1143 Y HN -0.046 nan 8.280 nan 0.000 0.510 1144 L N 1.402 122.753 121.223 0.214 0.000 2.013 1144 L HA -0.216 4.459 4.340 0.559 0.000 0.212 1144 L C 2.473 179.413 176.870 0.117 0.000 1.073 1144 L CA 2.044 56.970 54.840 0.144 0.000 0.753 1144 L CB -0.572 41.529 42.059 0.070 0.000 0.890 1144 L HN 0.258 nan 8.230 nan 0.000 0.432 1145 E N -0.048 120.191 120.200 0.066 0.000 2.051 1145 E HA -0.261 4.424 4.350 0.559 0.000 0.192 1145 E C 2.021 178.646 176.600 0.042 0.000 0.991 1145 E CA 1.831 58.243 56.400 0.020 0.000 0.799 1145 E CB -0.131 29.569 29.700 -0.000 0.000 0.748 1145 E HN 0.683 nan 8.360 nan 0.000 0.449 1146 E N -0.555 119.702 120.200 0.096 0.000 2.110 1146 E HA -0.165 4.520 4.350 0.559 0.000 0.193 1146 E C 1.983 178.660 176.600 0.128 0.000 0.988 1146 E CA 1.022 57.487 56.400 0.109 0.000 0.804 1146 E CB -0.300 29.491 29.700 0.153 0.000 0.745 1146 E HN 0.240 nan 8.360 nan 0.000 0.458 1147 F N 1.352 121.328 119.950 0.045 0.000 2.075 1147 F HA -0.184 4.670 4.527 0.545 0.000 0.297 1147 F C 1.929 177.695 175.800 -0.057 0.000 1.113 1147 F CA 1.392 59.413 58.000 0.034 0.000 1.218 1147 F CB -0.175 38.830 39.000 0.009 0.000 0.984 1147 F HN -0.097 nan 8.300 nan 0.000 0.472 1148 L N -0.563 120.615 121.223 -0.076 0.000 2.083 1148 L HA -0.217 4.458 4.340 0.559 0.000 0.209 1148 L C 2.331 178.971 176.870 -0.384 0.000 1.083 1148 L CA 1.707 56.312 54.840 -0.392 0.000 0.752 1148 L CB -1.221 40.647 42.059 -0.318 0.000 0.899 1148 L HN 0.175 nan 8.230 nan 0.000 0.433 1149 T N -0.656 113.778 114.554 -0.199 0.000 2.746 1149 T HA -0.169 4.516 4.350 0.559 0.000 0.267 1149 T C 2.148 176.754 174.700 -0.156 0.000 1.039 1149 T CA 1.707 63.720 62.100 -0.144 0.000 1.142 1149 T CB -0.197 68.632 68.868 -0.066 0.000 0.866 1149 T HN 0.554 nan 8.240 nan 0.000 0.444 1150 S N 1.789 117.417 115.700 -0.120 0.000 2.383 1150 S HA 0.081 4.886 4.470 0.559 0.000 0.227 1150 S C 2.416 176.880 174.600 -0.227 0.000 1.026 1150 S CA 0.855 59.042 58.200 -0.023 0.000 0.981 1150 S CB -0.539 62.768 63.200 0.177 0.000 0.818 1150 S HN 0.473 nan 8.310 nan 0.000 0.472 1151 A N 2.646 125.132 122.820 -0.556 0.000 1.898 1151 A HA -0.087 4.568 4.320 0.559 0.000 0.216 1151 A C 2.101 179.445 177.584 -0.400 0.000 1.181 1151 A CA 1.752 53.188 52.037 -1.002 0.000 0.620 1151 A CB -1.341 16.932 19.000 -1.212 0.000 0.819 1151 A HN 0.654 nan 8.150 nan 0.000 0.442 1152 N N -0.088 118.457 118.700 -0.258 0.000 2.104 1152 N HA -0.211 4.864 4.740 0.559 0.000 0.190 1152 N C 1.692 177.163 175.510 -0.065 0.000 1.024 1152 N CA 2.122 55.183 53.050 0.019 0.000 0.853 1152 N CB -0.249 38.227 38.487 -0.018 0.000 1.008 1152 N HN 0.562 nan 8.380 nan 0.000 0.424 1153 K N -1.612 118.663 120.400 -0.208 0.000 2.167 1153 K HA -0.067 4.588 4.320 0.559 0.000 0.203 1153 K C 0.904 177.258 176.600 -0.409 0.000 1.052 1153 K CA 1.002 57.087 56.287 -0.337 0.000 0.956 1153 K CB 0.048 32.252 32.500 -0.494 0.000 0.735 1153 K HN 0.401 nan 8.250 nan 0.000 0.451 1154 H N -1.858 117.151 119.070 -0.101 0.000 3.058 1154 H HA 0.061 4.960 4.556 0.572 0.000 0.258 1154 H C -0.549 174.748 175.328 -0.051 0.000 1.015 1154 H CA -0.309 55.713 56.048 -0.044 0.000 1.210 1154 H CB 0.220 30.017 29.762 0.059 0.000 1.481 1154 H HN 0.031 nan 8.280 nan 0.000 0.492 1155 F N 3.660 123.424 119.950 -0.310 0.000 2.438 1155 F HA 0.178 5.025 4.527 0.533 0.000 0.360 1155 F C 0.697 176.472 175.800 -0.042 0.000 1.118 1155 F CA -0.618 57.224 58.000 -0.264 0.000 1.164 1155 F CB 0.312 39.005 39.000 -0.512 0.000 1.131 1155 F HN -0.012 nan 8.300 nan 0.000 0.527 1156 M N 5.059 124.384 119.600 -0.458 0.000 2.253 1156 M HA -0.191 4.624 4.480 0.559 0.000 0.199 1156 M C -0.473 175.793 176.300 -0.056 0.000 0.342 1156 M CA 0.320 55.418 55.300 -0.336 0.000 0.417 1156 M CB -2.874 29.369 32.600 -0.596 0.000 1.338 1156 M HN 0.159 nan 8.290 nan 0.000 0.920 1157 V N 0.402 120.313 119.914 -0.004 0.000 2.617 1157 V HA 0.337 4.792 4.120 0.559 0.000 0.304 1157 V C 1.714 177.800 176.094 -0.013 0.000 1.040 1157 V CA 1.686 63.989 62.300 0.005 0.000 1.149 1157 V CB 0.817 32.652 31.823 0.020 0.000 0.914 1157 V HN 1.008 nan 8.190 nan 0.000 0.487 1158 G N 3.408 112.150 108.800 -0.096 0.000 2.176 1158 G HA2 -0.161 4.134 3.960 0.559 0.000 0.232 1158 G HA3 -0.161 4.134 3.960 0.559 0.000 0.232 1158 G C 0.021 174.603 174.900 -0.530 0.000 0.986 1158 G CA -0.008 44.930 45.100 -0.269 0.000 0.643 1158 G HN 0.777 nan 8.290 nan 0.000 0.522 1159 H N -0.024 119.014 119.070 -0.054 0.000 2.768 1159 H HA 0.406 5.297 4.556 0.559 0.000 0.371 1159 H C -2.748 172.537 175.328 -0.071 0.000 1.151 1159 H CA -1.792 54.222 56.048 -0.057 0.000 1.165 1159 H CB 2.094 31.807 29.762 -0.082 0.000 1.722 1159 H HN 0.003 nan 8.280 nan 0.000 0.543 1160 P HA 0.026 nan 4.420 nan 0.000 0.264 1160 P C -0.586 176.694 177.300 -0.033 0.000 1.193 1160 P CA 0.130 63.227 63.100 -0.006 0.000 0.763 1160 P CB 0.663 32.368 31.700 0.007 0.000 0.810 1161 V N 5.307 125.150 119.914 -0.118 0.000 2.789 1161 V HA 0.466 4.921 4.120 0.559 0.000 0.311 1161 V C -0.104 175.763 176.094 -0.378 0.000 1.073 1161 V CA -0.544 61.633 62.300 -0.205 0.000 0.921 1161 V CB 2.240 33.910 31.823 -0.256 0.000 1.009 1161 V HN 0.348 nan 8.190 nan 0.000 0.426 1162 I N 3.854 124.185 120.570 -0.398 0.000 2.447 1162 I HA 0.459 4.964 4.170 0.559 0.000 0.287 1162 I C -1.121 174.624 176.117 -0.619 0.000 1.023 1162 I CA -0.220 60.775 61.300 -0.508 0.000 1.083 1162 I CB 1.713 39.436 38.000 -0.462 0.000 1.245 1162 I HN 0.435 nan 8.210 nan 0.000 0.434 1163 F N 5.514 125.332 119.950 -0.220 0.000 2.411 1163 F HA 0.367 5.225 4.527 0.552 0.000 0.355 1163 F C -0.350 175.354 175.800 -0.160 0.000 1.117 1163 F CA -0.643 57.268 58.000 -0.148 0.000 1.139 1163 F CB 0.657 39.635 39.000 -0.036 0.000 1.120 1163 F HN 0.313 nan 8.300 nan 0.000 0.493 1164 Y N 4.486 124.959 120.300 0.290 0.000 2.434 1164 Y HA 0.458 5.342 4.550 0.555 0.000 0.341 1164 Y C 0.019 175.971 175.900 0.086 0.000 0.965 1164 Y CA -0.718 57.513 58.100 0.218 0.000 1.205 1164 Y CB 0.582 39.138 38.460 0.160 0.000 1.121 1164 Y HN 0.369 nan 8.280 nan 0.000 0.507 1165 I N 4.953 125.654 120.570 0.218 0.000 2.312 1165 I HA 0.282 4.787 4.170 0.559 0.000 0.290 1165 I C -0.601 175.505 176.117 -0.018 0.000 1.008 1165 I CA -0.587 60.737 61.300 0.040 0.000 1.226 1165 I CB 0.952 38.966 38.000 0.023 0.000 1.371 1165 I HN 0.477 nan 8.210 nan 0.000 0.468 1166 M N 8.073 127.522 119.600 -0.252 0.000 2.101 1166 M HA 0.434 5.249 4.480 0.559 0.000 0.340 1166 M C -0.471 175.741 176.300 -0.146 0.000 1.057 1166 M CA -0.557 54.549 55.300 -0.324 0.000 0.984 1166 M CB 1.396 33.369 32.600 -1.044 0.000 1.560 1166 M HN 0.409 nan 8.290 nan 0.000 0.435 1167 V N 0.266 120.171 119.914 -0.014 0.000 3.078 1167 V HA 0.695 5.150 4.120 0.559 0.000 0.311 1167 V C 0.123 176.253 176.094 0.060 0.000 1.138 1167 V CA -0.774 61.547 62.300 0.035 0.000 1.007 1167 V CB 2.190 34.033 31.823 0.033 0.000 1.045 1167 V HN 0.835 nan 8.190 nan 0.000 0.432 1168 D N -0.178 120.262 120.400 0.066 0.000 2.333 1168 D HA 0.047 5.022 4.640 0.559 0.000 0.208 1168 D C 0.042 176.374 176.300 0.053 0.000 0.984 1168 D CA 0.576 54.614 54.000 0.064 0.000 0.873 1168 D CB 0.535 41.372 40.800 0.062 0.000 0.935 1168 D HN 0.666 nan 8.370 nan 0.000 0.521 1169 D N 0.524 120.954 120.400 0.049 0.000 2.336 1169 D HA 0.105 5.080 4.640 0.559 0.000 0.248 1169 D C 1.025 177.347 176.300 0.037 0.000 1.326 1169 D CA -0.562 53.462 54.000 0.041 0.000 0.973 1169 D CB 1.953 42.776 40.800 0.039 0.000 1.255 1169 D HN -0.259 nan 8.370 nan 0.000 0.558 1170 V N 2.585 122.520 119.914 0.035 0.000 2.720 1170 V HA -0.183 4.273 4.120 0.559 0.000 0.256 1170 V C 2.392 178.503 176.094 0.028 0.000 1.082 1170 V CA 2.010 64.328 62.300 0.031 0.000 1.101 1170 V CB -0.610 31.230 31.823 0.027 0.000 0.693 1170 V HN 0.649 nan 8.190 nan 0.000 0.479 1171 S N 0.358 116.074 115.700 0.025 0.000 2.507 1171 S HA -0.092 4.713 4.470 0.559 0.000 0.235 1171 S C 1.780 176.392 174.600 0.021 0.000 0.988 1171 S CA 0.749 58.962 58.200 0.022 0.000 0.944 1171 S CB -0.328 62.884 63.200 0.019 0.000 0.762 1171 S HN 0.651 nan 8.310 nan 0.000 0.526 1172 R N -0.170 120.344 120.500 0.023 0.000 2.362 1172 R HA 0.352 5.027 4.340 0.559 0.000 0.227 1172 R C 0.106 176.416 176.300 0.017 0.000 0.905 1172 R CA -0.197 55.916 56.100 0.021 0.000 1.067 1172 R CB -0.011 30.306 30.300 0.028 0.000 1.078 1172 R HN 0.442 nan 8.270 nan 0.000 0.516 1173 M N 3.603 123.213 119.600 0.017 0.000 2.364 1173 M HA 0.121 4.936 4.480 0.559 0.000 0.342 1173 M C -2.234 174.062 176.300 -0.007 0.000 1.601 1173 M CA -1.943 53.360 55.300 0.005 0.000 1.156 1173 M CB 0.519 33.131 32.600 0.019 0.000 1.912 1173 M HN -0.222 nan 8.290 nan 0.000 0.460 1174 P HA 0.116 nan 4.420 nan 0.000 0.279 1174 P C -1.075 176.183 177.300 -0.071 0.000 1.318 1174 P CA 0.046 63.124 63.100 -0.037 0.000 0.819 1174 P CB 0.073 31.751 31.700 -0.036 0.000 0.927 1175 L N 5.741 126.947 121.223 -0.029 0.000 2.384 1175 L HA 0.202 4.877 4.340 0.559 0.000 0.258 1175 L C 1.397 178.258 176.870 -0.015 0.000 1.266 1175 L CA -0.698 54.136 54.840 -0.010 0.000 1.162 1175 L CB -0.722 41.396 42.059 0.099 0.000 1.375 1175 L HN 0.371 nan 8.230 nan 0.000 0.420 1176 I N -1.859 118.665 120.570 -0.078 0.000 3.194 1176 I HA 0.183 4.688 4.170 0.559 0.000 0.283 1176 I C 0.462 176.578 176.117 -0.002 0.000 1.199 1176 I CA -0.426 60.845 61.300 -0.048 0.000 1.328 1176 I CB 0.607 38.556 38.000 -0.084 0.000 1.404 1176 I HN 0.426 nan 8.210 nan 0.000 0.618 1177 E N 3.012 123.217 120.200 0.008 0.000 2.259 1177 E HA 0.416 5.101 4.350 0.559 0.000 0.281 1177 E C -1.215 175.410 176.600 0.041 0.000 1.027 1177 E CA -0.635 55.788 56.400 0.037 0.000 0.838 1177 E CB 1.043 30.756 29.700 0.022 0.000 1.066 1177 E HN 0.542 nan 8.360 nan 0.000 0.401 1178 L N 3.158 124.432 121.223 0.086 0.000 2.360 1178 L HA 0.537 5.212 4.340 0.559 0.000 0.271 1178 L C 0.864 177.773 176.870 0.065 0.000 1.057 1178 L CA -0.755 54.148 54.840 0.104 0.000 0.803 1178 L CB 1.567 43.742 42.059 0.195 0.000 1.207 1178 L HN 0.667 nan 8.230 nan 0.000 0.445 1179 G N 0.789 109.621 108.800 0.053 0.000 2.568 1179 G HA2 0.522 4.817 3.960 0.559 0.000 0.293 1179 G HA3 0.522 4.817 3.960 0.559 0.000 0.293 1179 G C -2.674 172.235 174.900 0.015 0.000 1.347 1179 G CA -1.296 43.817 45.100 0.022 0.000 1.039 1179 G HN 0.341 nan 8.290 nan 0.000 0.523 1180 P HA 0.174 nan 4.420 nan 0.000 0.264 1180 P C 0.525 177.812 177.300 -0.022 0.000 1.183 1180 P CA 0.260 63.352 63.100 -0.013 0.000 0.763 1180 P CB 0.412 32.101 31.700 -0.019 0.000 0.807 1181 L N -1.272 119.933 121.223 -0.030 0.000 4.696 1181 L HA -0.277 4.398 4.340 0.559 0.000 0.425 1181 L C 0.215 177.043 176.870 -0.070 0.000 1.115 1181 L CA 0.749 55.562 54.840 -0.045 0.000 0.996 1181 L CB -1.145 40.885 42.059 -0.048 0.000 2.077 1181 L HN 0.500 nan 8.230 nan 0.000 0.792 1182 R N 0.147 120.615 120.500 -0.054 0.000 2.637 1182 R HA 0.794 5.469 4.340 0.559 0.000 0.291 1182 R C -0.075 176.205 176.300 -0.033 0.000 0.963 1182 R CA 0.332 56.375 56.100 -0.094 0.000 0.901 1182 R CB 2.103 32.425 30.300 0.037 0.000 1.160 1182 R HN 0.246 nan 8.270 nan 0.000 0.457 1183 S N 1.256 116.910 115.700 -0.076 0.000 2.643 1183 S HA 0.818 5.623 4.470 0.559 0.000 0.270 1183 S C -1.214 173.447 174.600 0.101 0.000 1.166 1183 S CA -0.947 57.262 58.200 0.015 0.000 0.815 1183 S CB 1.258 64.408 63.200 -0.084 0.000 1.139 1183 S HN 0.547 nan 8.310 nan 0.000 0.472 1184 F N -1.241 118.673 119.950 -0.061 0.000 2.831 1184 F HA 0.895 5.758 4.527 0.560 0.000 0.318 1184 F C -1.927 173.828 175.800 -0.075 0.000 1.174 1184 F CA -1.075 56.894 58.000 -0.052 0.000 0.918 1184 F CB 1.173 40.233 39.000 0.098 0.000 1.364 1184 F HN 0.953 nan 8.300 nan 0.000 0.475 1185 K N 0.985 121.447 120.400 0.104 0.000 2.543 1185 K HA 0.751 5.407 4.320 0.559 0.000 0.255 1185 K C -2.406 174.181 176.600 -0.021 0.000 0.934 1185 K CA -0.950 55.262 56.287 -0.125 0.000 0.810 1185 K CB 2.422 34.814 32.500 -0.181 0.000 1.315 1185 K HN 0.619 nan 8.250 nan 0.000 0.433 1186 V N 2.929 122.730 119.914 -0.189 0.000 2.581 1186 V HA 0.565 5.020 4.120 0.559 0.000 0.303 1186 V C -1.056 174.774 176.094 -0.441 0.000 1.041 1186 V CA -0.618 61.601 62.300 -0.134 0.000 0.907 1186 V CB 0.798 32.650 31.823 0.049 0.000 0.994 1186 V HN 0.664 nan 8.190 nan 0.000 0.442 1187 F N 2.370 122.331 119.950 0.019 0.000 2.540 1187 F HA 0.508 5.369 4.527 0.557 0.000 0.317 1187 F C 0.157 175.961 175.800 0.007 0.000 1.104 1187 F CA -0.760 57.252 58.000 0.021 0.000 0.913 1187 F CB 1.915 40.929 39.000 0.025 0.000 1.170 1187 F HN 0.307 nan 8.300 nan 0.000 0.450 1188 K N 5.363 125.886 120.400 0.204 0.000 2.258 1188 K HA 0.609 5.264 4.320 0.559 0.000 0.284 1188 K C -0.847 175.837 176.600 0.139 0.000 1.051 1188 K CA -0.290 56.074 56.287 0.128 0.000 0.923 1188 K CB 0.585 33.140 32.500 0.091 0.000 1.046 1188 K HN 0.771 nan 8.250 nan 0.000 0.474 1189 I N 0.049 120.686 120.570 0.111 0.000 2.957 1189 I HA 0.452 4.957 4.170 0.559 0.000 0.310 1189 I C -0.658 175.510 176.117 0.085 0.000 1.063 1189 I CA -1.268 60.098 61.300 0.110 0.000 1.033 1189 I CB 1.718 39.801 38.000 0.138 0.000 1.230 1189 I HN 0.473 nan 8.210 nan 0.000 0.447 1190 K N 4.117 124.560 120.400 0.071 0.000 2.368 1190 K HA 0.356 5.011 4.320 0.559 0.000 0.282 1190 K C -2.334 174.297 176.600 0.051 0.000 1.035 1190 K CA -1.359 54.959 56.287 0.051 0.000 0.973 1190 K CB 0.592 33.114 32.500 0.036 0.000 0.957 1190 K HN 0.493 nan 8.250 nan 0.000 0.474 1191 P HA 0.133 nan 4.420 nan 0.000 0.292 1191 P C -1.024 176.288 177.300 0.021 0.000 1.326 1191 P CA -0.349 62.773 63.100 0.037 0.000 0.787 1191 P CB 1.037 32.760 31.700 0.039 0.000 0.903 1192 E N 3.034 123.239 120.200 0.008 0.000 2.383 1192 E HA 0.033 4.718 4.350 0.559 0.000 0.264 1192 E C 0.972 177.566 176.600 -0.009 0.000 1.050 1192 E CA -0.217 56.177 56.400 -0.009 0.000 0.896 1192 E CB 0.875 30.557 29.700 -0.031 0.000 0.982 1192 E HN 0.282 nan 8.360 nan 0.000 0.424 1193 K N 1.345 121.735 120.400 -0.016 0.000 2.057 1193 K HA -0.088 4.567 4.320 0.559 0.000 0.207 1193 K C 0.680 177.269 176.600 -0.019 0.000 1.049 1193 K CA 1.248 57.528 56.287 -0.011 0.000 0.931 1193 K CB 0.027 32.518 32.500 -0.016 0.000 0.714 1193 K HN 0.269 nan 8.250 nan 0.000 0.440 1194 R N 0.473 120.931 120.500 -0.070 0.000 2.407 1194 R HA 0.121 4.797 4.340 0.559 0.000 0.303 1194 R C 0.953 177.161 176.300 -0.153 0.000 0.981 1194 R CA -0.496 55.519 56.100 -0.141 0.000 0.905 1194 R CB 0.665 30.811 30.300 -0.257 0.000 1.099 1194 R HN 0.309 nan 8.270 nan 0.000 0.459 1195 W N 2.763 123.989 121.300 -0.124 0.000 2.374 1195 W HA -0.193 4.801 4.660 0.557 0.000 0.288 1195 W C 0.413 176.789 176.519 -0.238 0.000 1.218 1195 W CA 0.718 57.959 57.345 -0.174 0.000 1.245 1195 W CB -0.346 29.017 29.460 -0.163 0.000 1.126 1195 W HN 0.564 nan 8.180 nan 0.000 0.545 1196 Q N 1.221 120.381 119.800 -1.068 0.000 2.124 1196 Q HA -0.159 4.516 4.340 0.559 0.000 0.202 1196 Q C 1.832 177.536 176.000 -0.494 0.000 0.977 1196 Q CA 2.330 57.448 55.803 -1.143 0.000 0.850 1196 Q CB -0.554 27.392 28.738 -1.321 0.000 0.901 1196 Q HN 0.251 nan 8.270 nan 0.000 0.429 1197 D N -0.211 119.986 120.400 -0.337 0.000 2.194 1197 D HA -0.037 4.938 4.640 0.559 0.000 0.204 1197 D C 1.805 178.029 176.300 -0.126 0.000 0.964 1197 D CA 0.663 54.560 54.000 -0.171 0.000 0.846 1197 D CB 0.101 40.826 40.800 -0.125 0.000 0.962 1197 D HN 0.278 nan 8.370 nan 0.000 0.490 1198 I N 0.644 121.138 120.570 -0.127 0.000 2.179 1198 I HA -0.255 4.250 4.170 0.559 0.000 0.242 1198 I C 2.613 178.625 176.117 -0.176 0.000 1.088 1198 I CA 0.801 62.033 61.300 -0.115 0.000 1.357 1198 I CB -0.229 37.717 38.000 -0.090 0.000 1.051 1198 I HN -0.067 nan 8.210 nan 0.000 0.409 1199 S N 0.692 116.303 115.700 -0.148 0.000 2.356 1199 S HA -0.167 4.638 4.470 0.559 0.000 0.223 1199 S C 2.122 176.637 174.600 -0.141 0.000 1.032 1199 S CA 1.416 59.532 58.200 -0.141 0.000 1.005 1199 S CB -0.113 63.067 63.200 -0.033 0.000 0.867 1199 S HN 0.279 nan 8.310 nan 0.000 0.449 1200 M N -0.149 119.394 119.600 -0.094 0.000 2.200 1200 M HA 0.023 4.838 4.480 0.559 0.000 0.265 1200 M C 2.233 178.532 176.300 -0.001 0.000 1.066 1200 M CA 1.067 56.357 55.300 -0.016 0.000 1.127 1200 M CB -0.341 32.274 32.600 0.025 0.000 1.379 1200 M HN 0.359 nan 8.290 nan 0.000 0.420 1201 M N 0.574 120.139 119.600 -0.058 0.000 2.358 1201 M HA -0.116 4.699 4.480 0.559 0.000 0.264 1201 M C 1.878 177.991 176.300 -0.312 0.000 1.064 1201 M CA 1.688 56.910 55.300 -0.129 0.000 1.093 1201 M CB -0.386 32.156 32.600 -0.096 0.000 1.401 1201 M HN 0.058 nan 8.290 nan 0.000 0.440 1202 R N -1.006 119.240 120.500 -0.424 0.000 2.117 1202 R HA -0.188 4.487 4.340 0.559 0.000 0.243 1202 R C 1.993 178.097 176.300 -0.327 0.000 1.143 1202 R CA 1.709 57.387 56.100 -0.703 0.000 0.968 1202 R CB -0.492 29.229 30.300 -0.965 0.000 0.863 1202 R HN 0.393 nan 8.270 nan 0.000 0.444 1203 M N 0.723 120.185 119.600 -0.231 0.000 2.080 1203 M HA -0.192 4.623 4.480 0.559 0.000 0.260 1203 M C 2.202 178.324 176.300 -0.297 0.000 1.068 1203 M CA 1.652 56.857 55.300 -0.159 0.000 1.109 1203 M CB -0.823 31.746 32.600 -0.052 0.000 1.342 1203 M HN 0.087 nan 8.290 nan 0.000 0.405 1204 K N -0.205 119.788 120.400 -0.678 0.000 2.026 1204 K HA -0.129 4.526 4.320 0.559 0.000 0.208 1204 K C 1.859 178.239 176.600 -0.366 0.000 1.048 1204 K CA 1.922 57.717 56.287 -0.820 0.000 0.929 1204 K CB -0.043 31.553 32.500 -1.508 0.000 0.713 1204 K HN 0.242 nan 8.250 nan 0.000 0.439 1205 T N 1.747 116.167 114.554 -0.223 0.000 2.720 1205 T HA -0.123 4.562 4.350 0.559 0.000 0.268 1205 T C 1.872 176.646 174.700 0.123 0.000 1.037 1205 T CA 1.589 63.703 62.100 0.025 0.000 1.144 1205 T CB -0.179 68.842 68.868 0.256 0.000 0.864 1205 T HN 0.205 nan 8.240 nan 0.000 0.444 1206 I N 1.163 121.796 120.570 0.105 0.000 2.179 1206 I HA -0.123 4.382 4.170 0.559 0.000 0.242 1206 I C 2.921 179.013 176.117 -0.042 0.000 1.088 1206 I CA 1.341 62.681 61.300 0.067 0.000 1.357 1206 I CB -0.777 37.273 38.000 0.085 0.000 1.051 1206 I HN 0.320 nan 8.210 nan 0.000 0.409 1207 G N 0.440 109.188 108.800 -0.085 0.000 2.440 1207 G HA2 -0.237 4.058 3.960 0.559 0.000 0.218 1207 G HA3 -0.237 4.058 3.960 0.559 0.000 0.218 1207 G C 1.490 176.301 174.900 -0.149 0.000 1.154 1207 G CA 0.695 45.723 45.100 -0.119 0.000 0.767 1207 G HN 0.435 nan 8.290 nan 0.000 0.552 1208 E N -0.190 119.910 120.200 -0.167 0.000 2.058 1208 E HA -0.142 4.543 4.350 0.559 0.000 0.194 1208 E C 2.273 178.687 176.600 -0.310 0.000 0.997 1208 E CA 0.955 57.218 56.400 -0.228 0.000 0.801 1208 E CB -0.263 29.277 29.700 -0.266 0.000 0.746 1208 E HN 0.496 nan 8.360 nan 0.000 0.450 1209 H N 0.293 119.187 119.070 -0.292 0.000 2.423 1209 H HA -0.038 4.854 4.556 0.560 0.000 0.297 1209 H C 2.282 177.223 175.328 -0.644 0.000 1.075 1209 H CA 0.952 56.712 56.048 -0.479 0.000 1.342 1209 H CB 0.029 29.469 29.762 -0.537 0.000 1.395 1209 H HN 0.185 nan 8.280 nan 0.000 0.530 1210 I N 0.106 120.474 120.570 -0.337 0.000 2.179 1210 I HA -0.237 4.268 4.170 0.559 0.000 0.242 1210 I C 2.493 178.422 176.117 -0.313 0.000 1.088 1210 I CA 0.807 61.904 61.300 -0.339 0.000 1.357 1210 I CB -0.176 37.690 38.000 -0.223 0.000 1.051 1210 I HN 0.004 nan 8.210 nan 0.000 0.409 1211 V N 0.962 120.733 119.914 -0.238 0.000 2.307 1211 V HA -0.271 4.184 4.120 0.559 0.000 0.245 1211 V C 2.670 178.680 176.094 -0.140 0.000 1.045 1211 V CA 1.999 64.189 62.300 -0.182 0.000 1.024 1211 V CB -0.977 30.768 31.823 -0.131 0.000 0.651 1211 V HN 0.490 nan 8.190 nan 0.000 0.449 1212 A N 0.085 122.821 122.820 -0.139 0.000 1.930 1212 A HA -0.182 4.473 4.320 0.559 0.000 0.217 1212 A C 1.900 179.571 177.584 0.145 0.000 1.175 1212 A CA 2.510 54.542 52.037 -0.009 0.000 0.627 1212 A CB -0.366 18.620 19.000 -0.022 0.000 0.815 1212 A HN 0.967 nan 8.150 nan 0.000 0.443 1213 H N -5.361 113.698 119.070 -0.019 0.000 2.950 1213 H HA 0.288 5.179 4.556 0.558 0.000 0.202 1213 H C 1.428 176.759 175.328 0.004 0.000 0.893 1213 H CA 0.138 56.232 56.048 0.076 0.000 0.931 1213 H CB -0.434 29.403 29.762 0.125 0.000 1.158 1213 H HN 0.148 nan 8.280 nan 0.000 0.545 1214 I N 2.455 122.661 120.570 -0.606 0.000 2.248 1214 I HA -0.302 4.203 4.170 0.559 0.000 0.248 1214 I C 2.554 178.556 176.117 -0.193 0.000 1.107 1214 I CA 2.240 63.324 61.300 -0.360 0.000 1.373 1214 I CB -0.406 37.242 38.000 -0.587 0.000 1.055 1214 I HN 0.540 nan 8.210 nan 0.000 0.418 1215 Q N 0.303 119.918 119.800 -0.309 0.000 2.291 1215 Q HA -0.215 4.460 4.340 0.559 0.000 0.206 1215 Q C 1.543 177.366 176.000 -0.296 0.000 0.976 1215 Q CA 1.506 57.109 55.803 -0.332 0.000 0.875 1215 Q CB -0.337 28.129 28.738 -0.454 0.000 0.927 1215 Q HN 0.591 nan 8.270 nan 0.000 0.450 1216 H N 0.091 119.158 119.070 -0.006 0.000 2.575 1216 H HA 0.192 5.083 4.556 0.560 0.000 0.267 1216 H C 0.638 175.998 175.328 0.053 0.000 0.966 1216 H CA 0.776 56.838 56.048 0.023 0.000 1.165 1216 H CB 0.617 30.402 29.762 0.039 0.000 1.433 1216 H HN 0.584 nan 8.280 nan 0.000 0.544 1217 E N 0.582 120.882 120.200 0.167 0.000 2.413 1217 E HA 0.117 4.802 4.350 0.559 0.000 0.203 1217 E C 0.509 177.192 176.600 0.138 0.000 0.957 1217 E CA 0.102 56.612 56.400 0.182 0.000 0.950 1217 E CB 1.378 31.256 29.700 0.296 0.000 0.957 1217 E HN 0.119 nan 8.360 nan 0.000 0.497 1218 V N -2.112 117.861 119.914 0.098 0.000 3.130 1218 V HA 0.335 4.790 4.120 0.559 0.000 0.310 1218 V C -0.363 175.714 176.094 -0.028 0.000 1.158 1218 V CA -0.863 61.480 62.300 0.071 0.000 1.029 1218 V CB 2.325 34.234 31.823 0.143 0.000 1.057 1218 V HN -0.164 nan 8.190 nan 0.000 0.436 1219 D N 0.542 120.905 120.400 -0.062 0.000 2.277 1219 D HA 0.232 5.207 4.640 0.559 0.000 0.209 1219 D C -0.312 175.600 176.300 -0.647 0.000 0.970 1219 D CA 1.545 55.366 54.000 -0.299 0.000 0.874 1219 D CB 0.557 41.238 40.800 -0.198 0.000 0.982 1219 D HN 0.504 nan 8.370 nan 0.000 0.504 1220 F N 0.039 119.963 119.950 -0.045 0.000 2.599 1220 F HA 0.463 5.330 4.527 0.566 0.000 0.311 1220 F C -0.616 175.169 175.800 -0.025 0.000 1.076 1220 F CA -1.165 56.787 58.000 -0.079 0.000 0.937 1220 F CB 2.224 41.140 39.000 -0.141 0.000 1.282 1220 F HN -0.325 nan 8.300 nan 0.000 0.460 1221 L N 1.844 123.126 121.223 0.098 0.000 2.445 1221 L HA 0.733 5.408 4.340 0.559 0.000 0.262 1221 L C -2.099 174.726 176.870 -0.075 0.000 0.974 1221 L CA -0.460 54.437 54.840 0.095 0.000 0.822 1221 L CB 1.779 43.866 42.059 0.046 0.000 1.339 1221 L HN 0.469 nan 8.230 nan 0.000 0.409 1222 F N 2.593 122.639 119.950 0.159 0.000 2.532 1222 F HA 0.651 5.538 4.527 0.600 0.000 0.321 1222 F C -0.470 175.266 175.800 -0.106 0.000 1.089 1222 F CA -0.368 57.663 58.000 0.050 0.000 0.926 1222 F CB 2.016 41.117 39.000 0.169 0.000 1.168 1222 F HN 0.434 nan 8.300 nan 0.000 0.459 1223 C N 4.682 123.880 119.300 -0.169 0.000 2.340 1223 C HA 0.780 5.575 4.460 0.559 0.000 0.323 1223 C C -0.254 174.540 174.990 -0.326 0.000 1.260 1223 C CA -1.022 57.779 59.018 -0.362 0.000 1.464 1223 C CB -0.027 27.204 27.740 -0.848 0.000 2.156 1223 C HN 0.703 nan 8.230 nan 0.000 0.476 1224 M N 1.566 121.081 119.600 -0.142 0.000 2.619 1224 M HA 0.403 5.218 4.480 0.559 0.000 0.297 1224 M C -1.036 175.142 176.300 -0.203 0.000 1.229 1224 M CA -0.480 54.734 55.300 -0.144 0.000 0.860 1224 M CB 1.696 34.263 32.600 -0.055 0.000 1.741 1224 M HN 0.497 nan 8.290 nan 0.000 0.462 1225 D N 0.733 121.004 120.400 -0.215 0.000 2.357 1225 D HA 0.101 5.076 4.640 0.559 0.000 0.242 1225 D C 0.402 176.468 176.300 -0.390 0.000 1.153 1225 D CA -0.048 53.817 54.000 -0.225 0.000 0.918 1225 D CB 1.652 42.326 40.800 -0.211 0.000 1.181 1225 D HN 0.326 nan 8.370 nan 0.000 0.435 1226 V N 1.086 120.805 119.914 -0.325 0.000 3.174 1226 V HA -0.061 4.394 4.120 0.559 0.000 0.254 1226 V C 0.391 176.373 176.094 -0.187 0.000 1.120 1226 V CA 0.614 62.654 62.300 -0.433 0.000 1.114 1226 V CB -0.167 31.562 31.823 -0.156 0.000 0.756 1226 V HN 0.559 nan 8.190 nan 0.000 0.467 1227 D N 2.003 122.241 120.400 -0.270 0.000 2.934 1227 D HA 0.087 5.062 4.640 0.559 0.000 0.237 1227 D C 0.162 176.276 176.300 -0.310 0.000 1.158 1227 D CA -0.096 53.519 54.000 -0.642 0.000 0.971 1227 D CB -0.194 40.134 40.800 -0.786 0.000 1.123 1227 D HN 0.776 nan 8.370 nan 0.000 0.467 1228 Q N -1.796 117.963 119.800 -0.068 0.000 2.687 1228 Q HA 0.611 5.286 4.340 0.559 0.000 0.295 1228 Q C -1.831 174.264 176.000 0.158 0.000 0.920 1228 Q CA -1.190 54.644 55.803 0.050 0.000 0.766 1228 Q CB 1.559 30.293 28.738 -0.006 0.000 1.467 1228 Q HN -0.042 nan 8.270 nan 0.000 0.415 1229 V N 1.194 121.169 119.914 0.101 0.000 2.686 1229 V HA 0.467 4.922 4.120 0.559 0.000 0.306 1229 V C -1.029 175.088 176.094 0.039 0.000 1.065 1229 V CA -0.705 61.657 62.300 0.104 0.000 0.894 1229 V CB 1.641 33.562 31.823 0.165 0.000 1.004 1229 V HN 0.692 nan 8.190 nan 0.000 0.424 1230 F N 3.043 122.995 119.950 0.003 0.000 2.484 1230 F HA 0.279 5.159 4.527 0.590 0.000 0.360 1230 F C 1.473 177.300 175.800 0.045 0.000 1.101 1230 F CA 0.336 58.358 58.000 0.036 0.000 1.251 1230 F CB 0.893 39.927 39.000 0.057 0.000 1.132 1230 F HN 0.488 nan 8.300 nan 0.000 0.570 1231 Q N 0.755 120.597 119.800 0.070 0.000 2.280 1231 Q HA 0.177 4.852 4.340 0.559 0.000 0.244 1231 Q C -0.193 175.555 176.000 -0.420 0.000 0.847 1231 Q CA 0.432 56.205 55.803 -0.050 0.000 0.945 1231 Q CB 1.034 29.817 28.738 0.074 0.000 1.115 1231 Q HN 0.664 nan 8.270 nan 0.000 0.513 1232 D N -0.491 119.553 120.400 -0.593 0.000 2.713 1232 D HA 0.133 5.108 4.640 0.559 0.000 0.306 1232 D C -0.912 175.255 176.300 -0.221 0.000 1.299 1232 D CA -0.498 53.166 54.000 -0.559 0.000 0.823 1232 D CB 1.359 42.060 40.800 -0.165 0.000 1.353 1232 D HN -0.335 nan 8.370 nan 0.000 0.447 1233 K N 0.963 121.394 120.400 0.051 0.000 2.466 1233 K HA 0.043 4.698 4.320 0.559 0.000 0.278 1233 K C -0.275 176.448 176.600 0.205 0.000 1.048 1233 K CA 0.427 56.829 56.287 0.192 0.000 1.088 1233 K CB -0.389 32.210 32.500 0.165 0.000 0.884 1233 K HN 0.310 nan 8.250 nan 0.000 0.478 1234 F N 2.612 122.652 119.950 0.150 0.000 2.451 1234 F HA 0.320 5.170 4.527 0.538 0.000 0.367 1234 F C 0.638 176.436 175.800 -0.004 0.000 1.100 1234 F CA -0.496 57.629 58.000 0.207 0.000 1.171 1234 F CB 0.643 39.934 39.000 0.484 0.000 1.405 1234 F HN 0.569 nan 8.300 nan 0.000 0.482 1235 G N 1.384 110.205 108.800 0.035 0.000 2.736 1235 G HA2 0.296 4.591 3.960 0.559 0.000 0.229 1235 G HA3 0.296 4.591 3.960 0.559 0.000 0.229 1235 G C 0.889 175.656 174.900 -0.222 0.000 1.380 1235 G CA -0.070 44.977 45.100 -0.089 0.000 1.040 1235 G HN 0.509 nan 8.290 nan 0.000 0.568 1236 V N -0.607 119.152 119.914 -0.258 0.000 3.026 1236 V HA -0.085 4.370 4.120 0.559 0.000 0.265 1236 V C 2.201 178.052 176.094 -0.405 0.000 1.121 1236 V CA 2.304 64.365 62.300 -0.399 0.000 1.142 1236 V CB -0.724 30.894 31.823 -0.342 0.000 0.730 1236 V HN 0.726 nan 8.190 nan 0.000 0.503 1237 E N 2.616 122.582 120.200 -0.390 0.000 2.409 1237 E HA -0.187 4.498 4.350 0.559 0.000 0.198 1237 E C 1.790 178.075 176.600 -0.525 0.000 1.024 1237 E CA 1.597 57.693 56.400 -0.507 0.000 0.861 1237 E CB -0.795 28.608 29.700 -0.494 0.000 0.788 1237 E HN 0.821 nan 8.360 nan 0.000 0.521 1238 T N -1.261 113.028 114.554 -0.443 0.000 3.086 1238 T HA 0.259 4.944 4.350 0.559 0.000 0.250 1238 T C 1.062 175.692 174.700 -0.116 0.000 1.074 1238 T CA -0.383 61.522 62.100 -0.325 0.000 0.988 1238 T CB -0.233 68.430 68.868 -0.342 0.000 0.988 1238 T HN 0.005 nan 8.240 nan 0.000 0.530 1239 L N 1.532 122.542 121.223 -0.354 0.000 2.417 1239 L HA 0.678 5.353 4.340 0.559 0.000 0.268 1239 L C 0.909 177.487 176.870 -0.486 0.000 1.158 1239 L CA -0.159 54.324 54.840 -0.595 0.000 0.819 1239 L CB 0.751 42.057 42.059 -1.255 0.000 1.112 1239 L HN 0.464 nan 8.230 nan 0.000 0.458 1240 G N 0.845 109.450 108.800 -0.326 0.000 2.451 1240 G HA2 0.146 4.441 3.960 0.559 0.000 0.292 1240 G HA3 0.146 4.441 3.960 0.559 0.000 0.292 1240 G C -0.116 174.921 174.900 0.229 0.000 1.427 1240 G CA -0.454 44.648 45.100 0.003 0.000 0.792 1240 G HN 0.420 nan 8.290 nan 0.000 0.498 1241 E N -0.290 120.040 120.200 0.216 0.000 2.038 1241 E HA -0.068 4.617 4.350 0.559 0.000 0.195 1241 E C 1.359 178.040 176.600 0.136 0.000 1.000 1241 E CA 1.975 58.482 56.400 0.180 0.000 0.803 1241 E CB -0.205 29.579 29.700 0.140 0.000 0.750 1241 E HN 0.726 nan 8.360 nan 0.000 0.448 1242 S N -0.359 115.413 115.700 0.121 0.000 2.677 1242 S HA 0.516 5.322 4.470 0.559 0.000 0.283 1242 S C -0.569 174.068 174.600 0.060 0.000 1.159 1242 S CA -0.980 57.305 58.200 0.141 0.000 1.001 1242 S CB 1.951 65.293 63.200 0.236 0.000 1.032 1242 S HN -0.100 nan 8.310 nan 0.000 0.487 1243 V N 2.209 122.155 119.914 0.053 0.000 2.417 1243 V HA 0.893 5.349 4.120 0.559 0.000 0.291 1243 V C 0.378 176.482 176.094 0.017 0.000 1.024 1243 V CA -0.459 61.845 62.300 0.007 0.000 0.861 1243 V CB 1.116 32.976 31.823 0.063 0.000 0.985 1243 V HN 1.213 nan 8.190 nan 0.000 0.436 1244 A N 3.723 126.400 122.820 -0.237 0.000 2.354 1244 A HA 0.894 5.549 4.320 0.559 0.000 0.321 1244 A C -0.753 176.832 177.584 0.002 0.000 1.125 1244 A CA -0.714 51.130 52.037 -0.321 0.000 0.799 1244 A CB 1.880 20.084 19.000 -1.327 0.000 1.293 1244 A HN 0.750 nan 8.150 nan 0.000 0.452 1245 Q N 0.778 120.702 119.800 0.207 0.000 2.333 1245 Q HA 0.605 5.280 4.340 0.559 0.000 0.267 1245 Q C -1.626 174.593 176.000 0.364 0.000 1.012 1245 Q CA -0.210 55.754 55.803 0.268 0.000 0.824 1245 Q CB 1.163 30.096 28.738 0.325 0.000 1.290 1245 Q HN 0.634 nan 8.270 nan 0.000 0.449 1246 L N 3.670 125.043 121.223 0.250 0.000 2.361 1246 L HA 0.254 4.929 4.340 0.559 0.000 0.278 1246 L C 0.489 177.576 176.870 0.361 0.000 1.113 1246 L CA -0.426 54.572 54.840 0.263 0.000 0.849 1246 L CB 0.953 43.102 42.059 0.150 0.000 1.155 1246 L HN 0.585 nan 8.230 nan 0.000 0.452 1247 Q N 2.230 122.286 119.800 0.426 0.000 2.255 1247 Q HA 0.015 4.691 4.340 0.559 0.000 0.280 1247 Q C 0.937 177.225 176.000 0.480 0.000 1.068 1247 Q CA 0.317 56.401 55.803 0.468 0.000 0.911 1247 Q CB 1.536 30.612 28.738 0.563 0.000 1.157 1247 Q HN 0.843 nan 8.270 nan 0.000 0.380 1248 A N 4.467 127.530 122.820 0.406 0.000 1.971 1248 A HA -0.217 4.438 4.320 0.559 0.000 0.222 1248 A C 1.287 178.898 177.584 0.046 0.000 1.182 1248 A CA 1.707 53.831 52.037 0.144 0.000 0.649 1248 A CB -0.655 18.087 19.000 -0.431 0.000 0.818 1248 A HN 0.908 nan 8.150 nan 0.000 0.458 1249 W N -2.720 118.535 121.300 -0.075 0.000 2.770 1249 W HA 0.130 5.126 4.660 0.560 0.000 0.256 1249 W C 1.217 177.438 176.519 -0.497 0.000 1.291 1249 W CA 0.152 57.273 57.345 -0.373 0.000 1.396 1249 W CB -0.268 28.826 29.460 -0.610 0.000 1.114 1249 W HN 0.523 nan 8.180 nan 0.000 0.637 1250 W N -1.435 120.057 121.300 0.319 0.000 2.862 1250 W HA 0.164 5.153 4.660 0.548 0.000 0.376 1250 W C 1.690 178.393 176.519 0.307 0.000 1.028 1250 W CA -0.710 56.778 57.345 0.238 0.000 1.757 1250 W CB -1.170 28.332 29.460 0.070 0.000 1.128 1250 W HN 0.003 nan 8.180 nan 0.000 0.566 1251 Y N 0.629 121.178 120.300 0.414 0.000 2.384 1251 Y HA -0.077 4.833 4.550 0.600 0.000 0.289 1251 Y C 1.505 177.670 175.900 0.441 0.000 1.152 1251 Y CA 1.471 59.830 58.100 0.432 0.000 1.258 1251 Y CB -0.527 38.166 38.460 0.388 0.000 0.979 1251 Y HN -0.109 nan 8.280 nan 0.000 0.549 1252 K N 0.667 120.954 120.400 -0.189 0.000 2.353 1252 K HA 0.420 5.075 4.320 0.559 0.000 0.195 1252 K C 0.744 177.389 176.600 0.074 0.000 1.031 1252 K CA 0.234 56.437 56.287 -0.140 0.000 1.079 1252 K CB 0.466 32.725 32.500 -0.401 0.000 0.857 1252 K HN 0.298 nan 8.250 nan 0.000 0.535 1253 A N 1.847 124.819 122.820 0.254 0.000 2.366 1253 A HA 0.063 4.719 4.320 0.559 0.000 0.249 1253 A C -0.522 177.133 177.584 0.117 0.000 1.084 1253 A CA -0.281 51.928 52.037 0.286 0.000 0.794 1253 A CB 0.251 19.622 19.000 0.618 0.000 1.034 1253 A HN 0.212 nan 8.150 nan 0.000 0.491 1254 D N 0.644 121.008 120.400 -0.060 0.000 2.350 1254 D HA 0.341 5.316 4.640 0.559 0.000 0.249 1254 D C -1.717 174.145 176.300 -0.730 0.000 1.119 1254 D CA -1.287 52.565 54.000 -0.247 0.000 0.886 1254 D CB 0.969 41.684 40.800 -0.141 0.000 1.195 1254 D HN 0.131 nan 8.370 nan 0.000 0.437 1255 P HA -0.183 nan 4.420 nan 0.000 0.217 1255 P C 0.474 177.235 177.300 -0.899 0.000 1.151 1255 P CA 1.058 63.200 63.100 -1.597 0.000 0.849 1255 P CB 0.105 31.481 31.700 -0.541 0.000 0.787 1256 N N -0.862 117.613 118.700 -0.375 0.000 2.609 1256 N HA -0.086 4.989 4.740 0.559 0.000 0.190 1256 N C 0.553 176.062 175.510 -0.001 0.000 1.157 1256 N CA 0.922 53.955 53.050 -0.028 0.000 0.918 1256 N CB -0.305 38.218 38.487 0.060 0.000 0.978 1256 N HN 0.278 nan 8.380 nan 0.000 0.448 1257 D N -0.499 119.783 120.400 -0.197 0.000 2.407 1257 D HA 0.102 5.078 4.640 0.559 0.000 0.208 1257 D C 0.368 176.524 176.300 -0.241 0.000 1.083 1257 D CA -0.155 53.808 54.000 -0.062 0.000 0.844 1257 D CB 0.334 41.191 40.800 0.095 0.000 0.967 1257 D HN 0.155 nan 8.370 nan 0.000 0.506 1258 F N 1.786 121.426 119.950 -0.517 0.000 2.553 1258 F HA -0.027 4.842 4.527 0.569 0.000 0.356 1258 F C 1.805 177.015 175.800 -0.984 0.000 1.142 1258 F CA -0.030 57.356 58.000 -1.024 0.000 1.322 1258 F CB 0.691 39.001 39.000 -1.151 0.000 1.126 1258 F HN -0.191 nan 8.300 nan 0.000 0.599 1259 T N 0.581 114.453 114.554 -1.137 0.000 3.607 1259 T HA 0.208 4.894 4.350 0.559 0.000 0.225 1259 T C -0.231 174.371 174.700 -0.164 0.000 0.904 1259 T CA -0.365 61.334 62.100 -0.668 0.000 0.962 1259 T CB -1.215 67.082 68.868 -0.950 0.000 1.221 1259 T HN 0.350 nan 8.240 nan 0.000 0.641 1260 Y N 0.791 121.092 120.300 0.002 0.000 2.330 1260 Y HA 0.281 5.164 4.550 0.555 0.000 0.341 1260 Y C 1.127 177.050 175.900 0.038 0.000 1.278 1260 Y CA -1.363 56.785 58.100 0.081 0.000 1.453 1260 Y CB 0.508 38.960 38.460 -0.012 0.000 1.342 1260 Y HN 0.262 nan 8.280 nan 0.000 0.590 1261 E N 1.381 121.701 120.200 0.200 0.000 2.299 1261 E HA 0.035 4.720 4.350 0.559 0.000 0.272 1261 E C -0.054 176.610 176.600 0.108 0.000 1.043 1261 E CA -0.064 56.401 56.400 0.108 0.000 0.895 1261 E CB 0.538 30.244 29.700 0.010 0.000 1.011 1261 E HN 0.389 nan 8.360 nan 0.000 0.432 1262 R N 3.806 124.375 120.500 0.116 0.000 2.362 1262 R HA 0.191 4.866 4.340 0.559 0.000 0.227 1262 R C -0.070 176.391 176.300 0.269 0.000 0.905 1262 R CA -0.025 56.167 56.100 0.154 0.000 1.067 1262 R CB 0.090 30.399 30.300 0.016 0.000 1.078 1262 R HN 0.410 nan 8.270 nan 0.000 0.516 1263 R N 2.064 122.643 120.500 0.132 0.000 2.234 1263 R HA 0.089 4.764 4.340 0.559 0.000 0.324 1263 R C 1.349 177.485 176.300 -0.273 0.000 1.054 1263 R CA -0.102 55.968 56.100 -0.050 0.000 0.912 1263 R CB 0.857 31.131 30.300 -0.042 0.000 1.030 1263 R HN 0.101 nan 8.270 nan 0.000 0.455 1264 K N 1.833 121.827 120.400 -0.678 0.000 2.286 1264 K HA -0.213 4.442 4.320 0.559 0.000 0.203 1264 K C 0.382 176.747 176.600 -0.392 0.000 1.045 1264 K CA 1.523 57.227 56.287 -0.972 0.000 0.935 1264 K CB 0.148 32.197 32.500 -0.751 0.000 0.737 1264 K HN 0.408 nan 8.250 nan 0.000 0.460 1265 E N 1.401 121.463 120.200 -0.230 0.000 2.268 1265 E HA -0.012 4.673 4.350 0.559 0.000 0.195 1265 E C 0.599 177.150 176.600 -0.080 0.000 0.995 1265 E CA 0.479 56.803 56.400 -0.127 0.000 0.836 1265 E CB 0.141 29.784 29.700 -0.095 0.000 0.763 1265 E HN 0.283 nan 8.360 nan 0.000 0.491 1266 S N -0.708 114.952 115.700 -0.066 0.000 2.586 1266 S HA 0.468 5.273 4.470 0.559 0.000 0.274 1266 S C 1.066 175.675 174.600 0.016 0.000 1.281 1266 S CA -0.075 58.112 58.200 -0.023 0.000 1.035 1266 S CB 1.324 64.499 63.200 -0.041 0.000 0.962 1266 S HN 0.179 nan 8.310 nan 0.000 0.512 1267 A N 3.603 126.446 122.820 0.039 0.000 2.119 1267 A HA 0.259 4.915 4.320 0.559 0.000 0.217 1267 A C 1.850 179.456 177.584 0.037 0.000 1.153 1267 A CA 1.267 53.342 52.037 0.063 0.000 0.692 1267 A CB -0.713 18.349 19.000 0.102 0.000 0.799 1267 A HN 1.119 nan 8.150 nan 0.000 0.458 1268 A N -1.690 121.079 122.820 -0.085 0.000 2.275 1268 A HA 0.325 4.980 4.320 0.559 0.000 0.212 1268 A C 0.590 178.112 177.584 -0.102 0.000 1.201 1268 A CA -0.474 51.443 52.037 -0.200 0.000 0.843 1268 A CB -0.562 18.086 19.000 -0.586 0.000 0.873 1268 A HN 0.494 nan 8.150 nan 0.000 0.492 1269 Y N 0.786 120.999 120.300 -0.144 0.000 2.810 1269 Y HA 0.254 5.140 4.550 0.560 0.000 0.332 1269 Y C -0.282 175.525 175.900 -0.155 0.000 1.243 1269 Y CA 0.099 58.122 58.100 -0.128 0.000 1.537 1269 Y CB -0.000 38.404 38.460 -0.093 0.000 1.265 1269 Y HN 0.222 nan 8.280 nan 0.000 0.572 1270 I N 9.514 129.580 120.570 -0.839 0.000 2.503 1270 I HA 0.250 4.756 4.170 0.559 0.000 0.282 1270 I C -2.381 173.148 176.117 -0.980 0.000 1.059 1270 I CA -2.140 58.657 61.300 -0.838 0.000 1.081 1270 I CB 2.035 39.611 38.000 -0.708 0.000 1.210 1270 I HN 0.508 nan 8.210 nan 0.000 0.450 1271 P HA 0.123 nan 4.420 nan 0.000 0.272 1271 P C -0.512 176.626 177.300 -0.270 0.000 1.223 1271 P CA -0.046 62.729 63.100 -0.542 0.000 0.784 1271 P CB 0.566 32.134 31.700 -0.220 0.000 0.923 1272 F N 0.383 120.330 119.950 -0.005 0.000 2.553 1272 F HA 0.301 5.164 4.527 0.559 0.000 0.356 1272 F C 2.042 177.840 175.800 -0.004 0.000 1.142 1272 F CA 1.962 59.968 58.000 0.010 0.000 1.322 1272 F CB -0.243 38.769 39.000 0.019 0.000 1.126 1272 F HN 0.699 nan 8.300 nan 0.000 0.599 1273 G N 1.135 110.037 108.800 0.170 0.000 2.194 1273 G HA2 -0.206 4.089 3.960 0.559 0.000 0.236 1273 G HA3 -0.206 4.089 3.960 0.559 0.000 0.236 1273 G C -0.161 174.766 174.900 0.045 0.000 0.987 1273 G CA -0.236 44.916 45.100 0.086 0.000 0.635 1273 G HN 0.583 nan 8.290 nan 0.000 0.520 1274 E N -0.562 119.658 120.200 0.033 0.000 2.299 1274 E HA 0.614 5.299 4.350 0.559 0.000 0.265 1274 E C 0.162 176.821 176.600 0.099 0.000 0.911 1274 E CA -0.414 55.995 56.400 0.015 0.000 0.789 1274 E CB 2.232 31.891 29.700 -0.069 0.000 1.246 1274 E HN 1.535 nan 8.360 nan 0.000 0.427 1275 G N 1.508 110.375 108.800 0.112 0.000 2.841 1275 G HA2 -0.102 4.193 3.960 0.559 0.000 0.684 1275 G HA3 -0.102 4.193 3.960 0.559 0.000 0.684 1275 G C -0.555 174.504 174.900 0.265 0.000 1.273 1275 G CA -0.649 44.623 45.100 0.286 0.000 0.811 1275 G HN 0.535 nan 8.290 nan 0.000 0.631 1276 D N 0.140 120.721 120.400 0.302 0.000 2.414 1276 D HA 0.281 5.256 4.640 0.559 0.000 0.237 1276 D C 0.666 176.854 176.300 -0.187 0.000 0.975 1276 D CA 1.337 55.407 54.000 0.117 0.000 0.917 1276 D CB 0.344 41.443 40.800 0.498 0.000 1.061 1276 D HN 0.324 nan 8.370 nan 0.000 0.480 1277 F N -1.277 118.838 119.950 0.275 0.000 2.685 1277 F HA 0.318 5.192 4.527 0.579 0.000 0.315 1277 F C -1.029 174.399 175.800 -0.621 0.000 1.126 1277 F CA -1.316 56.650 58.000 -0.058 0.000 0.950 1277 F CB 1.499 40.316 39.000 -0.304 0.000 1.360 1277 F HN -0.304 nan 8.300 nan 0.000 0.469 1278 Y N 1.859 121.601 120.300 -0.930 0.000 2.417 1278 Y HA 0.498 5.379 4.550 0.552 0.000 0.336 1278 Y C -1.210 174.501 175.900 -0.315 0.000 0.961 1278 Y CA -0.968 56.624 58.100 -0.846 0.000 1.215 1278 Y CB 0.242 37.911 38.460 -1.318 0.000 1.120 1278 Y HN 0.407 nan 8.280 nan 0.000 0.499 1279 Y N 4.252 124.405 120.300 -0.245 0.000 2.299 1279 Y HA 0.187 5.063 4.550 0.542 0.000 0.326 1279 Y C 0.413 176.322 175.900 0.014 0.000 1.164 1279 Y CA -0.440 57.667 58.100 0.011 0.000 1.234 1279 Y CB 0.584 39.155 38.460 0.185 0.000 1.219 1279 Y HN 0.565 nan 8.280 nan 0.000 0.497 1280 H N 1.530 120.773 119.070 0.287 0.000 2.580 1280 H HA 0.364 5.240 4.556 0.534 0.000 0.322 1280 H C 0.273 175.750 175.328 0.249 0.000 1.082 1280 H CA -0.245 55.958 56.048 0.258 0.000 1.383 1280 H CB 1.333 31.271 29.762 0.294 0.000 1.450 1280 H HN 0.971 nan 8.280 nan 0.000 0.505 1281 A N 4.092 127.115 122.820 0.339 0.000 2.206 1281 A HA 0.034 4.689 4.320 0.559 0.000 0.211 1281 A C 2.101 179.737 177.584 0.087 0.000 1.158 1281 A CA 0.862 53.032 52.037 0.220 0.000 0.761 1281 A CB -0.340 18.777 19.000 0.196 0.000 0.801 1281 A HN 0.797 nan 8.150 nan 0.000 0.473 1282 A N -0.467 122.140 122.820 -0.355 0.000 2.119 1282 A HA 0.350 5.005 4.320 0.559 0.000 0.217 1282 A C 0.729 178.200 177.584 -0.189 0.000 1.153 1282 A CA 0.729 52.497 52.037 -0.449 0.000 0.692 1282 A CB -0.223 18.177 19.000 -1.000 0.000 0.799 1282 A HN 0.451 nan 8.150 nan 0.000 0.458 1283 I N -0.589 119.980 120.570 -0.001 0.000 2.610 1283 I HA 0.488 4.993 4.170 0.559 0.000 0.289 1283 I C -1.259 175.096 176.117 0.396 0.000 1.163 1283 I CA -0.686 60.698 61.300 0.141 0.000 1.044 1283 I CB 2.170 40.267 38.000 0.162 0.000 1.251 1283 I HN 0.284 nan 8.210 nan 0.000 0.424 1284 F N 3.639 123.780 119.950 0.319 0.000 2.678 1284 F HA 0.966 5.824 4.527 0.551 0.000 0.308 1284 F C -0.328 175.625 175.800 0.255 0.000 1.118 1284 F CA -0.559 57.629 58.000 0.313 0.000 0.959 1284 F CB 1.453 40.606 39.000 0.255 0.000 1.305 1284 F HN 0.560 nan 8.300 nan 0.000 0.443 1285 G N -0.393 108.533 108.800 0.209 0.000 2.570 1285 G HA2 0.834 5.129 3.960 0.559 0.000 0.310 1285 G HA3 0.834 5.129 3.960 0.559 0.000 0.310 1285 G C -0.737 174.077 174.900 -0.143 0.000 1.266 1285 G CA -0.223 44.714 45.100 -0.272 0.000 0.825 1285 G HN 2.148 nan 8.290 nan 0.000 0.483 1286 G N -1.780 106.876 108.800 -0.239 0.000 2.339 1286 G HA2 0.562 4.857 3.960 0.559 0.000 0.275 1286 G HA3 0.562 4.857 3.960 0.559 0.000 0.275 1286 G C -0.004 174.922 174.900 0.044 0.000 1.323 1286 G CA 0.858 45.953 45.100 -0.007 0.000 0.927 1286 G HN 1.932 nan 8.290 nan 0.000 0.486 1287 T N -0.628 113.938 114.554 0.020 0.000 2.860 1287 T HA 0.525 5.210 4.350 0.559 0.000 0.299 1287 T C -1.343 173.294 174.700 -0.105 0.000 1.045 1287 T CA -0.400 61.608 62.100 -0.153 0.000 1.071 1287 T CB 1.699 70.445 68.868 -0.202 0.000 0.985 1287 T HN 0.207 nan 8.240 nan 0.000 0.537 1288 P HA -0.087 nan 4.420 nan 0.000 0.216 1288 P C 1.670 178.908 177.300 -0.104 0.000 1.150 1288 P CA 1.158 64.185 63.100 -0.122 0.000 0.843 1288 P CB -0.214 31.393 31.700 -0.155 0.000 0.787 1289 T N -0.594 113.901 114.554 -0.099 0.000 2.652 1289 T HA -0.181 4.504 4.350 0.559 0.000 0.267 1289 T C 1.817 176.494 174.700 -0.039 0.000 1.039 1289 T CA 1.249 63.306 62.100 -0.070 0.000 1.153 1289 T CB -0.676 68.157 68.868 -0.058 0.000 0.863 1289 T HN 0.150 nan 8.240 nan 0.000 0.428 1290 Q N 0.502 120.292 119.800 -0.017 0.000 2.079 1290 Q HA -0.001 4.674 4.340 0.559 0.000 0.200 1290 Q C 2.663 178.661 176.000 -0.003 0.000 0.974 1290 Q CA 0.900 56.718 55.803 0.025 0.000 0.840 1290 Q CB -0.891 27.888 28.738 0.068 0.000 0.898 1290 Q HN 0.404 nan 8.270 nan 0.000 0.430 1291 V N 1.404 121.313 119.914 -0.008 0.000 2.490 1291 V HA -0.220 4.235 4.120 0.559 0.000 0.250 1291 V C 2.310 178.372 176.094 -0.052 0.000 1.061 1291 V CA 1.238 63.541 62.300 0.006 0.000 1.064 1291 V CB -0.654 31.187 31.823 0.030 0.000 0.670 1291 V HN 0.216 nan 8.190 nan 0.000 0.461 1292 L N 0.987 122.169 121.223 -0.069 0.000 2.046 1292 L HA -0.141 4.535 4.340 0.559 0.000 0.208 1292 L C 2.091 178.902 176.870 -0.098 0.000 1.077 1292 L CA 2.300 57.089 54.840 -0.087 0.000 0.747 1292 L CB -0.995 41.011 42.059 -0.088 0.000 0.896 1292 L HN 0.364 nan 8.230 nan 0.000 0.432 1293 N N -0.468 118.183 118.700 -0.081 0.000 2.188 1293 N HA -0.153 4.922 4.740 0.559 0.000 0.184 1293 N C 1.813 177.181 175.510 -0.238 0.000 1.018 1293 N CA 1.693 54.706 53.050 -0.061 0.000 0.858 1293 N CB -0.223 38.294 38.487 0.049 0.000 0.989 1293 N HN 0.480 nan 8.380 nan 0.000 0.426 1294 I N -0.114 120.178 120.570 -0.463 0.000 2.127 1294 I HA -0.302 4.203 4.170 0.559 0.000 0.241 1294 I C 2.220 177.928 176.117 -0.682 0.000 1.075 1294 I CA 1.718 62.381 61.300 -1.062 0.000 1.334 1294 I CB -0.771 36.719 38.000 -0.850 0.000 1.040 1294 I HN 0.378 nan 8.210 nan 0.000 0.405 1295 T N -1.787 112.554 114.554 -0.354 0.000 2.821 1295 T HA -0.188 4.497 4.350 0.559 0.000 0.267 1295 T C 1.788 176.405 174.700 -0.139 0.000 1.046 1295 T CA 1.017 62.988 62.100 -0.215 0.000 1.139 1295 T CB -0.372 68.443 68.868 -0.089 0.000 0.871 1295 T HN 0.383 nan 8.240 nan 0.000 0.454 1296 Q N 0.276 120.004 119.800 -0.120 0.000 2.079 1296 Q HA -0.063 4.612 4.340 0.559 0.000 0.200 1296 Q C 2.600 178.584 176.000 -0.027 0.000 0.974 1296 Q CA 1.175 56.952 55.803 -0.043 0.000 0.840 1296 Q CB -0.009 28.705 28.738 -0.040 0.000 0.898 1296 Q HN 0.510 nan 8.270 nan 0.000 0.430 1297 E N 0.011 120.171 120.200 -0.066 0.000 2.072 1297 E HA -0.141 4.544 4.350 0.559 0.000 0.191 1297 E C 2.095 178.663 176.600 -0.053 0.000 0.985 1297 E CA 0.701 57.096 56.400 -0.007 0.000 0.801 1297 E CB -0.298 29.494 29.700 0.154 0.000 0.750 1297 E HN 0.360 nan 8.360 nan 0.000 0.452 1298 C N 0.459 119.674 119.300 -0.142 0.000 2.429 1298 C HA -0.107 4.688 4.460 0.559 0.000 0.277 1298 C C 2.484 177.352 174.990 -0.203 0.000 1.262 1298 C CA 0.292 59.210 59.018 -0.166 0.000 1.733 1298 C CB -1.189 26.414 27.740 -0.229 0.000 2.010 1298 C HN 0.321 nan 8.230 nan 0.000 0.483 1299 F N 1.773 121.572 119.950 -0.251 0.000 2.234 1299 F HA -0.050 4.812 4.527 0.557 0.000 0.299 1299 F C 2.213 177.887 175.800 -0.210 0.000 1.087 1299 F CA 1.420 59.280 58.000 -0.234 0.000 1.340 1299 F CB -0.385 38.514 39.000 -0.168 0.000 1.031 1299 F HN 0.166 nan 8.300 nan 0.000 0.500 1300 K N -0.491 119.817 120.400 -0.153 0.000 2.097 1300 K HA -0.082 4.573 4.320 0.559 0.000 0.206 1300 K C 2.372 178.826 176.600 -0.244 0.000 1.049 1300 K CA 1.188 57.367 56.287 -0.181 0.000 0.933 1300 K CB -0.820 31.636 32.500 -0.073 0.000 0.717 1300 K HN 0.381 nan 8.250 nan 0.000 0.442 1301 G N 1.069 109.721 108.800 -0.247 0.000 2.408 1301 G HA2 -0.189 4.106 3.960 0.559 0.000 0.217 1301 G HA3 -0.189 4.106 3.960 0.559 0.000 0.217 1301 G C 1.475 176.141 174.900 -0.390 0.000 1.150 1301 G CA 0.440 45.420 45.100 -0.199 0.000 0.776 1301 G HN 0.123 nan 8.290 nan 0.000 0.542 1302 I N 0.284 120.400 120.570 -0.756 0.000 2.226 1302 I HA -0.119 4.386 4.170 0.559 0.000 0.245 1302 I C 2.665 178.500 176.117 -0.471 0.000 1.100 1302 I CA 0.734 61.638 61.300 -0.660 0.000 1.374 1302 I CB -0.155 37.454 38.000 -0.652 0.000 1.057 1302 I HN 0.127 nan 8.210 nan 0.000 0.413 1303 L N 0.518 121.378 121.223 -0.605 0.000 2.093 1303 L HA -0.213 4.462 4.340 0.559 0.000 0.208 1303 L C 2.620 179.341 176.870 -0.249 0.000 1.085 1303 L CA 1.303 55.870 54.840 -0.455 0.000 0.755 1303 L CB -0.549 41.216 42.059 -0.489 0.000 0.904 1303 L HN 0.222 nan 8.230 nan 0.000 0.435 1304 K N 0.277 120.554 120.400 -0.205 0.000 2.057 1304 K HA -0.220 4.435 4.320 0.559 0.000 0.207 1304 K C 1.648 178.197 176.600 -0.085 0.000 1.049 1304 K CA 1.882 58.098 56.287 -0.117 0.000 0.931 1304 K CB -0.002 32.448 32.500 -0.083 0.000 0.714 1304 K HN 0.168 nan 8.250 nan 0.000 0.440 1305 D N 0.721 121.079 120.400 -0.069 0.000 2.149 1305 D HA -0.130 4.845 4.640 0.559 0.000 0.198 1305 D C 1.673 177.936 176.300 -0.062 0.000 0.990 1305 D CA 1.185 55.165 54.000 -0.034 0.000 0.839 1305 D CB 0.045 40.862 40.800 0.028 0.000 0.948 1305 D HN 0.270 nan 8.370 nan 0.000 0.460 1306 K N 0.276 120.618 120.400 -0.096 0.000 2.097 1306 K HA -0.081 4.574 4.320 0.559 0.000 0.206 1306 K C 1.852 178.406 176.600 -0.077 0.000 1.049 1306 K CA 0.741 56.973 56.287 -0.093 0.000 0.933 1306 K CB 0.155 32.581 32.500 -0.123 0.000 0.717 1306 K HN -0.011 nan 8.250 nan 0.000 0.442 1307 K N 0.626 120.978 120.400 -0.080 0.000 2.217 1307 K HA -0.014 4.642 4.320 0.559 0.000 0.202 1307 K C 1.019 177.587 176.600 -0.053 0.000 1.051 1307 K CA 0.779 57.028 56.287 -0.064 0.000 0.952 1307 K CB -0.032 32.429 32.500 -0.065 0.000 0.736 1307 K HN 0.143 nan 8.250 nan 0.000 0.453 1308 N N 1.609 120.277 118.700 -0.053 0.000 2.276 1308 N HA -0.056 5.019 4.740 0.559 0.000 0.212 1308 N C -0.670 174.813 175.510 -0.045 0.000 1.127 1308 N CA 0.097 53.120 53.050 -0.046 0.000 0.834 1308 N CB 0.201 38.661 38.487 -0.045 0.000 1.014 1308 N HN 0.113 nan 8.380 nan 0.000 0.491 1309 D N 0.955 121.328 120.400 -0.046 0.000 2.697 1309 D HA -0.207 4.768 4.640 0.559 0.000 0.235 1309 D C -0.742 175.531 176.300 -0.044 0.000 1.167 1309 D CA 0.612 54.585 54.000 -0.044 0.000 0.656 1309 D CB -1.127 39.649 40.800 -0.039 0.000 1.025 1309 D HN 0.449 nan 8.370 nan 0.000 0.419 1310 I N -0.068 120.475 120.570 -0.045 0.000 2.841 1310 I HA 0.415 4.921 4.170 0.559 0.000 0.298 1310 I C -1.398 174.695 176.117 -0.039 0.000 1.304 1310 I CA -0.855 60.418 61.300 -0.044 0.000 1.019 1310 I CB 1.912 39.886 38.000 -0.045 0.000 1.282 1310 I HN 0.076 nan 8.210 nan 0.000 0.432 1311 E N 5.465 125.637 120.200 -0.047 0.000 2.241 1311 E HA 0.659 5.344 4.350 0.559 0.000 0.263 1311 E C -0.789 175.756 176.600 -0.092 0.000 0.882 1311 E CA -0.754 55.623 56.400 -0.038 0.000 0.769 1311 E CB 1.916 31.596 29.700 -0.033 0.000 1.185 1311 E HN 0.758 nan 8.360 nan 0.000 0.415 1312 A N 3.729 126.498 122.820 -0.085 0.000 2.565 1312 A HA -0.102 4.553 4.320 0.559 0.000 0.237 1312 A C 1.103 178.481 177.584 -0.343 0.000 1.053 1312 A CA 0.551 52.479 52.037 -0.183 0.000 0.755 1312 A CB 0.484 19.342 19.000 -0.237 0.000 0.980 1312 A HN 0.981 nan 8.150 nan 0.000 0.506 1313 Q N 1.010 120.638 119.800 -0.287 0.000 2.077 1313 Q HA -0.206 4.469 4.340 0.559 0.000 0.206 1313 Q C -0.042 175.460 176.000 -0.830 0.000 0.989 1313 Q CA 2.163 57.682 55.803 -0.472 0.000 0.853 1313 Q CB -0.137 28.413 28.738 -0.314 0.000 0.907 1313 Q HN 0.881 nan 8.270 nan 0.000 0.418 1314 Y N -0.596 119.553 120.300 -0.251 0.000 2.751 1314 Y HA 0.177 5.064 4.550 0.563 0.000 0.289 1314 Y C -0.009 175.863 175.900 -0.047 0.000 1.110 1314 Y CA -0.176 57.860 58.100 -0.106 0.000 1.251 1314 Y CB -0.181 38.353 38.460 0.122 0.000 1.178 1314 Y HN 0.251 nan 8.280 nan 0.000 0.540 1315 H N -1.024 118.113 119.070 0.112 0.000 1.452 1315 H HA -0.372 4.517 4.556 0.557 0.000 0.090 1315 H C 1.608 177.058 175.328 0.204 0.000 0.988 1315 H CA 1.615 57.729 56.048 0.110 0.000 1.901 1315 H CB -0.917 28.870 29.762 0.041 0.000 2.257 1315 H HN 0.428 nan 8.280 nan 0.000 0.961 1316 D N 0.883 121.475 120.400 0.320 0.000 2.221 1316 D HA -0.177 4.798 4.640 0.559 0.000 0.204 1316 D C 1.749 178.146 176.300 0.162 0.000 0.982 1316 D CA 1.699 55.827 54.000 0.212 0.000 0.857 1316 D CB -0.484 40.376 40.800 0.100 0.000 0.934 1316 D HN 0.720 nan 8.370 nan 0.000 0.475 1317 E N 0.750 121.070 120.200 0.201 0.000 2.150 1317 E HA -0.122 4.563 4.350 0.559 0.000 0.193 1317 E C 1.870 178.533 176.600 0.104 0.000 0.985 1317 E CA 0.836 57.333 56.400 0.162 0.000 0.814 1317 E CB 0.186 30.044 29.700 0.263 0.000 0.752 1317 E HN 0.114 nan 8.360 nan 0.000 0.466 1318 S N -0.110 115.663 115.700 0.122 0.000 2.368 1318 S HA -0.137 4.668 4.470 0.559 0.000 0.224 1318 S C 1.705 176.247 174.600 -0.096 0.000 1.029 1318 S CA 0.847 59.061 58.200 0.024 0.000 0.988 1318 S CB -0.355 62.815 63.200 -0.049 0.000 0.838 1318 S HN 0.442 nan 8.310 nan 0.000 0.462 1319 H N 0.430 119.494 119.070 -0.010 0.000 2.389 1319 H HA 0.034 4.924 4.556 0.557 0.000 0.299 1319 H C 2.220 177.485 175.328 -0.106 0.000 1.081 1319 H CA 1.154 57.168 56.048 -0.057 0.000 1.345 1319 H CB -0.510 29.211 29.762 -0.068 0.000 1.393 1319 H HN 0.223 nan 8.280 nan 0.000 0.520 1320 L N 1.465 122.667 121.223 -0.036 0.000 2.046 1320 L HA -0.136 4.539 4.340 0.559 0.000 0.208 1320 L C 1.877 178.684 176.870 -0.105 0.000 1.077 1320 L CA 1.455 56.156 54.840 -0.231 0.000 0.747 1320 L CB -0.628 41.273 42.059 -0.264 0.000 0.896 1320 L HN 0.127 nan 8.230 nan 0.000 0.432 1321 N N -0.274 118.437 118.700 0.018 0.000 2.188 1321 N HA -0.209 4.867 4.740 0.559 0.000 0.184 1321 N C 1.821 177.335 175.510 0.006 0.000 1.018 1321 N CA 1.154 54.276 53.050 0.120 0.000 0.858 1321 N CB -0.017 38.482 38.487 0.020 0.000 0.989 1321 N HN 0.260 nan 8.380 nan 0.000 0.426 1322 K N 0.837 121.186 120.400 -0.085 0.000 2.057 1322 K HA -0.139 4.516 4.320 0.559 0.000 0.206 1322 K C 1.982 178.540 176.600 -0.071 0.000 1.050 1322 K CA 1.001 57.213 56.287 -0.125 0.000 0.935 1322 K CB -0.739 31.698 32.500 -0.104 0.000 0.715 1322 K HN 0.181 nan 8.250 nan 0.000 0.439 1323 Y N -0.160 120.036 120.300 -0.173 0.000 2.145 1323 Y HA -0.113 4.771 4.550 0.556 0.000 0.286 1323 Y C 1.612 177.420 175.900 -0.154 0.000 1.145 1323 Y CA 1.938 59.901 58.100 -0.228 0.000 1.148 1323 Y CB -0.355 37.862 38.460 -0.405 0.000 0.981 1323 Y HN 0.094 nan 8.280 nan 0.000 0.507 1324 F N -1.103 118.884 119.950 0.063 0.000 2.451 1324 F HA -0.163 4.701 4.527 0.561 0.000 0.299 1324 F C 2.028 177.787 175.800 -0.068 0.000 1.101 1324 F CA 0.183 58.160 58.000 -0.038 0.000 1.436 1324 F CB -0.033 38.884 39.000 -0.139 0.000 1.074 1324 F HN 0.223 nan 8.300 nan 0.000 0.553 1325 L N 0.186 121.471 121.223 0.103 0.000 2.095 1325 L HA -0.107 4.568 4.340 0.559 0.000 0.204 1325 L C 1.851 178.633 176.870 -0.146 0.000 1.080 1325 L CA 1.731 56.563 54.840 -0.013 0.000 0.759 1325 L CB -0.565 41.436 42.059 -0.097 0.000 0.914 1325 L HN 0.059 nan 8.230 nan 0.000 0.439 1326 L N -0.513 120.587 121.223 -0.206 0.000 2.095 1326 L HA -0.015 4.660 4.340 0.559 0.000 0.204 1326 L C 0.315 176.996 176.870 -0.315 0.000 1.080 1326 L CA 0.541 55.228 54.840 -0.255 0.000 0.759 1326 L CB -0.395 41.498 42.059 -0.277 0.000 0.914 1326 L HN 0.284 nan 8.230 nan 0.000 0.439 1327 N N 1.327 119.774 118.700 -0.421 0.000 2.706 1327 N HA 0.145 5.220 4.740 0.559 0.000 0.240 1327 N C -0.836 174.559 175.510 -0.190 0.000 1.039 1327 N CA -0.339 52.487 53.050 -0.372 0.000 0.888 1327 N CB 1.110 39.208 38.487 -0.650 0.000 1.128 1327 N HN 0.012 nan 8.380 nan 0.000 0.512 1328 K N 2.161 122.366 120.400 -0.325 0.000 2.511 1328 K HA 0.093 4.748 4.320 0.559 0.000 0.280 1328 K C -1.983 174.520 176.600 -0.161 0.000 1.008 1328 K CA -0.937 55.044 56.287 -0.510 0.000 1.050 1328 K CB 0.158 31.866 32.500 -1.319 0.000 0.889 1328 K HN 0.356 nan 8.250 nan 0.000 0.484 1329 P HA 0.040 nan 4.420 nan 0.000 0.275 1329 P C 0.493 177.903 177.300 0.183 0.000 1.228 1329 P CA -0.187 62.867 63.100 -0.077 0.000 0.786 1329 P CB 0.564 31.906 31.700 -0.597 0.000 0.927 1330 T N -1.163 113.471 114.554 0.134 0.000 3.113 1330 T HA 0.069 4.755 4.350 0.559 0.000 0.256 1330 T C 0.540 175.300 174.700 0.100 0.000 1.131 1330 T CA 0.512 62.716 62.100 0.172 0.000 1.074 1330 T CB -0.007 68.944 68.868 0.139 0.000 0.944 1330 T HN 0.501 nan 8.240 nan 0.000 0.516 1331 K N 0.186 120.603 120.400 0.029 0.000 2.557 1331 K HA 0.594 5.250 4.320 0.559 0.000 0.261 1331 K C -2.075 174.462 176.600 -0.106 0.000 0.932 1331 K CA -0.922 55.339 56.287 -0.044 0.000 0.829 1331 K CB 1.822 34.298 32.500 -0.040 0.000 1.358 1331 K HN 0.177 nan 8.250 nan 0.000 0.430 1332 I N 4.803 125.287 120.570 -0.142 0.000 2.608 1332 I HA 0.375 4.880 4.170 0.559 0.000 0.295 1332 I C -0.622 175.375 176.117 -0.200 0.000 1.049 1332 I CA -1.135 60.066 61.300 -0.164 0.000 1.063 1332 I CB 1.854 39.734 38.000 -0.199 0.000 1.248 1332 I HN 0.416 nan 8.210 nan 0.000 0.424 1333 L N 4.241 125.345 121.223 -0.199 0.000 2.309 1333 L HA 0.441 5.116 4.340 0.559 0.000 0.282 1333 L C 0.628 177.340 176.870 -0.264 0.000 1.036 1333 L CA -0.556 54.092 54.840 -0.319 0.000 0.806 1333 L CB 1.701 43.515 42.059 -0.408 0.000 1.220 1333 L HN 0.700 nan 8.230 nan 0.000 0.429 1334 S N 1.878 117.323 115.700 -0.425 0.000 2.608 1334 S HA 0.239 5.044 4.470 0.559 0.000 0.261 1334 S C -1.911 172.426 174.600 -0.438 0.000 1.314 1334 S CA -0.972 56.715 58.200 -0.855 0.000 0.992 1334 S CB 0.798 62.780 63.200 -2.030 0.000 0.935 1334 S HN 0.445 nan 8.310 nan 0.000 0.564 1335 P HA -0.057 nan 4.420 nan 0.000 0.223 1335 P C 0.789 178.066 177.300 -0.039 0.000 1.144 1335 P CA 1.078 64.113 63.100 -0.108 0.000 0.783 1335 P CB -0.089 31.528 31.700 -0.139 0.000 0.771 1336 E N -1.856 118.165 120.200 -0.299 0.000 2.204 1336 E HA -0.178 4.507 4.350 0.559 0.000 0.195 1336 E C 0.957 177.390 176.600 -0.278 0.000 0.990 1336 E CA 0.915 57.125 56.400 -0.316 0.000 0.821 1336 E CB -0.475 28.997 29.700 -0.380 0.000 0.750 1336 E HN 0.442 nan 8.360 nan 0.000 0.477 1337 Y N -1.171 119.058 120.300 -0.119 0.000 2.529 1337 Y HA 0.098 4.631 4.550 -0.027 0.000 0.290 1337 Y C 0.611 176.601 175.900 0.151 0.000 1.177 1337 Y CA -0.027 58.041 58.100 -0.052 0.000 1.305 1337 Y CB 0.733 39.059 38.460 -0.223 0.000 1.047 1337 Y HN 0.000 nan 8.280 nan 0.000 0.522 1338 C N 1.140 120.617 119.300 0.295 0.000 2.993 1338 C HA 0.125 4.920 4.460 0.559 0.000 0.298 1338 C C -0.799 174.495 174.990 0.507 0.000 0.906 1338 C CA -1.185 58.084 59.018 0.419 0.000 1.090 1338 C CB -1.251 26.775 27.740 0.476 0.000 1.656 1338 C HN 0.533 nan 8.230 nan 0.000 0.648 1339 W N 3.335 124.644 121.300 0.015 0.000 2.438 1339 W HA 0.470 5.424 4.660 0.490 0.000 0.324 1339 W C -0.729 175.403 176.519 -0.645 0.000 1.119 1339 W CA 0.176 57.327 57.345 -0.323 0.000 1.221 1339 W CB 1.227 30.396 29.460 -0.486 0.000 1.253 1339 W HN 0.604 nan 8.180 nan 0.000 0.555 1340 D N 4.159 123.370 120.400 -1.983 0.000 2.427 1340 D HA 0.097 5.072 4.640 0.559 0.000 0.226 1340 D C 0.337 175.786 176.300 -1.419 0.000 1.076 1340 D CA -0.335 52.592 54.000 -1.788 0.000 0.849 1340 D CB 0.306 39.809 40.800 -2.161 0.000 1.052 1340 D HN 0.350 nan 8.370 nan 0.000 0.515 1341 Y N 1.689 121.664 120.300 -0.541 0.000 2.569 1341 Y HA -0.168 4.737 4.550 0.591 0.000 0.293 1341 Y C 1.906 177.711 175.900 -0.159 0.000 1.144 1341 Y CA 0.570 58.562 58.100 -0.179 0.000 1.321 1341 Y CB -0.014 38.462 38.460 0.027 0.000 0.982 1341 Y HN 0.606 nan 8.280 nan 0.000 0.558 1342 H N 0.097 119.058 119.070 -0.181 0.000 2.491 1342 H HA -0.098 4.790 4.556 0.555 0.000 0.290 1342 H C 1.755 176.974 175.328 -0.181 0.000 1.050 1342 H CA 1.406 57.412 56.048 -0.070 0.000 1.309 1342 H CB -0.226 29.577 29.762 0.068 0.000 1.392 1342 H HN 0.348 nan 8.280 nan 0.000 0.554 1343 I N -0.675 119.544 120.570 -0.586 0.000 2.761 1343 I HA 0.067 4.572 4.170 0.559 0.000 0.261 1343 I C 1.542 177.514 176.117 -0.242 0.000 1.198 1343 I CA 0.598 61.462 61.300 -0.727 0.000 1.482 1343 I CB -0.217 37.074 38.000 -1.181 0.000 1.100 1343 I HN 0.539 nan 8.210 nan 0.000 0.445 1344 G N 1.213 109.993 108.800 -0.033 0.000 2.416 1344 G HA2 -0.148 4.147 3.960 0.559 0.000 0.203 1344 G HA3 -0.148 4.147 3.960 0.559 0.000 0.203 1344 G C -1.156 173.968 174.900 0.372 0.000 1.227 1344 G CA -0.527 44.651 45.100 0.130 0.000 1.041 1344 G HN 0.037 nan 8.290 nan 0.000 0.546 1345 L N 2.517 123.877 121.223 0.228 0.000 2.514 1345 L HA 0.594 5.270 4.340 0.559 0.000 0.257 1345 L C -1.535 175.340 176.870 0.009 0.000 1.101 1345 L CA -1.166 53.758 54.840 0.139 0.000 0.911 1345 L CB 1.051 43.194 42.059 0.139 0.000 1.162 1345 L HN 0.744 nan 8.230 nan 0.000 0.477 1346 P HA 0.320 nan 4.420 nan 0.000 0.277 1346 P C 0.554 177.807 177.300 -0.078 0.000 1.271 1346 P CA -0.259 62.825 63.100 -0.026 0.000 0.795 1346 P CB 1.053 32.775 31.700 0.037 0.000 1.101 1347 A N 0.409 123.202 122.820 -0.044 0.000 1.978 1347 A HA -0.188 4.467 4.320 0.559 0.000 0.220 1347 A C 1.744 179.288 177.584 -0.068 0.000 1.170 1347 A CA 1.882 53.887 52.037 -0.054 0.000 0.636 1347 A CB -1.062 17.914 19.000 -0.039 0.000 0.810 1347 A HN 0.543 nan 8.150 nan 0.000 0.448 1348 D N -0.107 120.267 120.400 -0.044 0.000 2.219 1348 D HA -0.053 4.922 4.640 0.559 0.000 0.205 1348 D C 0.460 176.754 176.300 -0.009 0.000 0.970 1348 D CA 0.648 54.634 54.000 -0.023 0.000 0.851 1348 D CB -0.144 40.727 40.800 0.119 0.000 0.943 1348 D HN 0.287 nan 8.370 nan 0.000 0.488 1349 I N 2.286 122.730 120.570 -0.210 0.000 2.260 1349 I HA 0.033 4.539 4.170 0.559 0.000 0.297 1349 I C 1.349 177.318 176.117 -0.247 0.000 1.143 1349 I CA -0.161 60.907 61.300 -0.386 0.000 1.271 1349 I CB 0.699 38.107 38.000 -0.987 0.000 1.461 1349 I HN -0.239 nan 8.210 nan 0.000 0.530 1350 K N 3.728 124.057 120.400 -0.119 0.000 2.044 1350 K HA 0.085 4.740 4.320 0.559 0.000 0.204 1350 K C 0.396 176.942 176.600 -0.090 0.000 1.049 1350 K CA 0.873 57.111 56.287 -0.082 0.000 0.945 1350 K CB 0.233 32.715 32.500 -0.029 0.000 0.724 1350 K HN 0.350 nan 8.250 nan 0.000 0.440 1351 L N 0.767 121.923 121.223 -0.111 0.000 2.555 1351 L HA 0.250 4.925 4.340 0.559 0.000 0.264 1351 L C -1.333 175.436 176.870 -0.169 0.000 0.972 1351 L CA -0.516 54.263 54.840 -0.102 0.000 0.876 1351 L CB 1.929 43.952 42.059 -0.059 0.000 1.216 1351 L HN -0.263 nan 8.230 nan 0.000 0.415 1352 V N 5.979 125.809 119.914 -0.139 0.000 2.521 1352 V HA 0.158 4.613 4.120 0.559 0.000 0.286 1352 V C 0.861 176.882 176.094 -0.123 0.000 1.034 1352 V CA -0.029 62.182 62.300 -0.147 0.000 1.045 1352 V CB 0.867 32.660 31.823 -0.049 0.000 0.974 1352 V HN 0.762 nan 8.190 nan 0.000 0.480 1353 K N 3.474 123.759 120.400 -0.191 0.000 2.334 1353 K HA 0.358 5.013 4.320 0.559 0.000 0.195 1353 K C 0.132 176.772 176.600 0.067 0.000 1.045 1353 K CA 0.369 56.592 56.287 -0.108 0.000 1.004 1353 K CB 0.312 32.633 32.500 -0.299 0.000 0.837 1353 K HN 0.645 nan 8.250 nan 0.000 0.510 1354 M N 0.043 119.671 119.600 0.046 0.000 2.365 1354 M HA 0.297 5.112 4.480 0.559 0.000 0.287 1354 M C -1.767 174.597 176.300 0.106 0.000 1.154 1354 M CA -0.372 54.951 55.300 0.038 0.000 0.941 1354 M CB 2.208 34.797 32.600 -0.018 0.000 1.704 1354 M HN 0.024 nan 8.290 nan 0.000 0.479 1355 S N 2.330 118.111 115.700 0.135 0.000 2.536 1355 S HA 0.810 5.615 4.470 0.559 0.000 0.298 1355 S C -1.477 173.312 174.600 0.315 0.000 1.083 1355 S CA -0.745 57.566 58.200 0.185 0.000 0.995 1355 S CB 0.859 64.201 63.200 0.236 0.000 1.058 1355 S HN 0.685 nan 8.310 nan 0.000 0.488 1356 W N 1.633 122.942 121.300 0.015 0.000 2.170 1356 W HA 0.391 5.349 4.660 0.498 0.000 0.336 1356 W C 0.817 177.357 176.519 0.035 0.000 1.283 1356 W CA -0.811 56.551 57.345 0.028 0.000 1.224 1356 W CB 0.122 29.609 29.460 0.045 0.000 1.132 1356 W HN 0.568 nan 8.180 nan 0.000 0.571 1357 Q N 1.197 121.119 119.800 0.203 0.000 2.259 1357 Q HA 0.218 4.893 4.340 0.559 0.000 0.246 1357 Q C 0.099 176.179 176.000 0.133 0.000 0.920 1357 Q CA -0.183 55.693 55.803 0.121 0.000 0.895 1357 Q CB 1.116 29.817 28.738 -0.062 0.000 1.220 1357 Q HN 0.336 nan 8.270 nan 0.000 0.439 1358 T N 3.156 117.790 114.554 0.133 0.000 2.940 1358 T HA 0.046 4.731 4.350 0.559 0.000 0.309 1358 T C 0.310 175.015 174.700 0.008 0.000 1.056 1358 T CA -0.246 61.898 62.100 0.074 0.000 1.137 1358 T CB 0.353 69.254 68.868 0.054 0.000 0.976 1358 T HN 0.089 nan 8.240 nan 0.000 0.547 1359 K N 3.316 123.649 120.400 -0.111 0.000 2.350 1359 K HA 0.157 4.812 4.320 0.559 0.000 0.279 1359 K C 0.508 176.933 176.600 -0.291 0.000 1.027 1359 K CA 0.125 56.210 56.287 -0.337 0.000 0.969 1359 K CB 0.498 32.584 32.500 -0.691 0.000 0.954 1359 K HN 0.681 nan 8.250 nan 0.000 0.474 1360 E N 2.561 122.617 120.200 -0.241 0.000 4.017 1360 E HA 0.083 4.769 4.350 0.559 0.000 0.205 1360 E C 0.244 176.810 176.600 -0.056 0.000 1.054 1360 E CA -0.073 56.260 56.400 -0.112 0.000 1.398 1360 E CB 0.151 29.852 29.700 0.002 0.000 1.164 1360 E HN 0.530 nan 8.360 nan 0.000 0.445 1361 Y N 0.531 120.768 120.300 -0.105 0.000 2.151 1361 Y HA -0.316 4.567 4.550 0.556 0.000 0.284 1361 Y C 2.495 178.323 175.900 -0.121 0.000 1.166 1361 Y CA 1.047 59.054 58.100 -0.154 0.000 1.163 1361 Y CB -0.133 38.219 38.460 -0.180 0.000 0.974 1361 Y HN 0.292 nan 8.280 nan 0.000 0.511 1362 N N 0.255 119.000 118.700 0.076 0.000 2.258 1362 N HA -0.159 4.916 4.740 0.559 0.000 0.187 1362 N C 1.263 176.777 175.510 0.007 0.000 1.012 1362 N CA 1.497 54.568 53.050 0.036 0.000 0.870 1362 N CB -0.173 38.328 38.487 0.024 0.000 0.977 1362 N HN 0.106 nan 8.380 nan 0.000 0.434 1363 V N -0.758 119.139 119.914 -0.028 0.000 2.788 1363 V HA 0.009 4.464 4.120 0.559 0.000 0.241 1363 V C 2.005 178.009 176.094 -0.151 0.000 1.083 1363 V CA 0.984 63.242 62.300 -0.070 0.000 1.103 1363 V CB 0.236 32.021 31.823 -0.063 0.000 0.800 1363 V HN 0.352 nan 8.190 nan 0.000 0.476 1364 V N -1.563 118.217 119.914 -0.224 0.000 3.129 1364 V HA 0.217 4.673 4.120 0.559 0.000 0.259 1364 V C 1.019 177.136 176.094 0.039 0.000 1.116 1364 V CA 0.510 62.656 62.300 -0.257 0.000 1.127 1364 V CB -0.614 30.855 31.823 -0.591 0.000 0.742 1364 V HN 0.377 nan 8.190 nan 0.000 0.474 1365 R N 0.753 121.267 120.500 0.024 0.000 2.664 1365 R HA 0.470 5.145 4.340 0.559 0.000 0.286 1365 R C -0.231 176.098 176.300 0.048 0.000 0.967 1365 R CA -0.197 55.920 56.100 0.028 0.000 0.933 1365 R CB 1.126 31.287 30.300 -0.233 0.000 1.146 1365 R HN 0.202 nan 8.270 nan 0.000 0.468 1366 N N 1.137 119.900 118.700 0.104 0.000 2.235 1366 N HA 0.032 5.107 4.740 0.559 0.000 0.231 1366 N C -1.406 174.176 175.510 0.120 0.000 1.177 1366 N CA -0.264 52.843 53.050 0.094 0.000 0.874 1366 N CB 0.374 38.909 38.487 0.080 0.000 1.097 1366 N HN 0.649 nan 8.380 nan 0.000 0.518 1367 N N -1.476 117.340 118.700 0.192 0.000 2.598 1367 N HA 0.141 5.216 4.740 0.559 0.000 0.263 1367 N C -1.018 174.672 175.510 0.299 0.000 1.254 1367 N CA -0.543 52.627 53.050 0.199 0.000 0.863 1367 N CB 1.143 39.722 38.487 0.153 0.000 1.586 1367 N HN -0.301 nan 8.380 nan 0.000 0.491 1368 V N 0.000 120.036 119.914 0.203 0.000 2.409 1368 V HA 0.000 4.455 4.120 0.559 0.000 0.244 1368 V CA 0.000 62.437 62.300 0.228 0.000 1.235 1368 V CB 0.000 31.896 31.823 0.122 0.000 1.184 1368 V HN 0.000 nan 8.190 nan 0.000 0.556