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 1vzt_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 SVAQLQAGWY KADPNDFTYE RRKESAAYIP FGEGDFYYHA DATA SEQUENCE AIFGGTPTQV LNITQECFKG ILKDKKNDIE AQWHDESHLN 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 0.000 176.612 176.600 0.020 0.000 0.988 1082 K CA 0.000 56.357 56.287 0.116 0.000 0.838 1082 K CB 0.000 32.604 32.500 0.173 0.000 1.064 1083 L N 3.243 124.404 121.223 -0.104 0.000 2.455 1083 L HA 0.262 4.857 4.340 0.426 0.000 0.272 1083 L C -0.411 176.424 176.870 -0.058 0.000 1.174 1083 L CA 0.868 55.515 54.840 -0.321 0.000 0.869 1083 L CB 0.739 42.394 42.059 -0.673 0.000 1.130 1083 L HN 0.095 nan 8.230 nan 0.000 0.474 1084 K N 3.600 123.996 120.400 -0.007 0.000 2.164 1084 K HA 0.222 4.797 4.320 0.426 0.000 0.258 1084 K C 0.740 177.402 176.600 0.102 0.000 0.951 1084 K CA -0.821 55.498 56.287 0.053 0.000 0.844 1084 K CB 1.576 34.094 32.500 0.030 0.000 1.099 1084 K HN 0.655 nan 8.250 nan 0.000 0.435 1085 L N 3.302 124.567 121.223 0.070 0.000 2.042 1085 L HA -0.201 4.394 4.340 0.426 0.000 0.210 1085 L C 1.963 178.672 176.870 -0.267 0.000 1.076 1085 L CA 2.481 57.278 54.840 -0.073 0.000 0.749 1085 L CB -0.620 41.411 42.059 -0.046 0.000 0.893 1085 L HN 0.863 nan 8.230 nan 0.000 0.432 1086 S N -1.926 113.717 115.700 -0.095 0.000 2.469 1086 S HA -0.161 4.564 4.470 0.426 0.000 0.238 1086 S C 1.632 176.197 174.600 -0.059 0.000 0.998 1086 S CA 0.977 59.130 58.200 -0.079 0.000 0.957 1086 S CB -0.749 62.441 63.200 -0.016 0.000 0.764 1086 S HN 0.503 nan 8.310 nan 0.000 0.514 1087 D N 1.190 121.586 120.400 -0.006 0.000 2.178 1087 D HA -0.060 4.836 4.640 0.426 0.000 0.201 1087 D C 1.607 178.005 176.300 0.164 0.000 0.980 1087 D CA 1.386 55.432 54.000 0.076 0.000 0.842 1087 D CB -0.169 40.691 40.800 0.100 0.000 0.948 1087 D HN 0.892 nan 8.370 nan 0.000 0.472 1088 W N -1.589 119.758 121.300 0.078 0.000 2.413 1088 W HA 0.294 5.202 4.660 0.414 0.000 0.288 1088 W C -0.532 176.130 176.519 0.238 0.000 0.958 1088 W CA -0.516 56.908 57.345 0.133 0.000 1.333 1088 W CB -0.170 29.361 29.460 0.118 0.000 1.002 1088 W HN -0.250 nan 8.180 nan 0.000 0.562 1089 F N 4.384 123.787 119.950 -0.911 0.000 2.449 1089 F HA 0.494 5.272 4.527 0.419 0.000 0.342 1089 F C -0.746 174.821 175.800 -0.389 0.000 1.127 1089 F CA -1.338 56.141 58.000 -0.868 0.000 0.975 1089 F CB 1.016 39.079 39.000 -1.560 0.000 1.146 1089 F HN -0.229 nan 8.300 nan 0.000 0.444 1090 N N 8.345 126.585 118.700 -0.767 0.000 2.623 1090 N HA 0.338 5.334 4.740 0.426 0.000 0.256 1090 N C -2.194 172.828 175.510 -0.814 0.000 1.045 1090 N CA -2.422 50.303 53.050 -0.542 0.000 0.863 1090 N CB 1.853 40.216 38.487 -0.206 0.000 1.182 1090 N HN 0.286 nan 8.380 nan 0.000 0.523 1091 P HA -0.061 nan 4.420 nan 0.000 0.222 1091 P C 0.857 177.737 177.300 -0.700 0.000 1.147 1091 P CA 0.814 63.347 63.100 -0.945 0.000 0.790 1091 P CB -0.023 31.176 31.700 -0.835 0.000 0.780 1092 F N 0.441 120.234 119.950 -0.262 0.000 2.699 1092 F HA 0.028 4.813 4.527 0.431 0.000 0.298 1092 F C 2.135 177.835 175.800 -0.167 0.000 1.154 1092 F CA 0.614 58.508 58.000 -0.178 0.000 1.457 1092 F CB -0.670 38.244 39.000 -0.143 0.000 1.106 1092 F HN -0.183 nan 8.300 nan 0.000 0.585 1093 K N 0.276 120.618 120.400 -0.097 0.000 2.366 1093 K HA 0.072 4.647 4.320 0.426 0.000 0.198 1093 K C 0.396 176.924 176.600 -0.120 0.000 1.044 1093 K CA 0.567 56.796 56.287 -0.095 0.000 0.973 1093 K CB 0.099 32.526 32.500 -0.123 0.000 0.767 1093 K HN 0.101 nan 8.250 nan 0.000 0.475 1094 R N 0.694 121.091 120.500 -0.172 0.000 2.639 1094 R HA 0.155 4.750 4.340 0.426 0.000 0.273 1094 R C -2.162 173.992 176.300 -0.244 0.000 1.732 1094 R CA -1.365 54.605 56.100 -0.216 0.000 1.586 1094 R CB 0.952 31.093 30.300 -0.265 0.000 1.263 1094 R HN -0.050 nan 8.270 nan 0.000 0.615 1095 P HA -0.116 nan 4.420 nan 0.000 0.225 1095 P C 0.776 177.991 177.300 -0.143 0.000 1.156 1095 P CA 0.891 63.911 63.100 -0.133 0.000 0.787 1095 P CB 0.505 32.171 31.700 -0.057 0.000 0.802 1096 E N 1.032 121.126 120.200 -0.177 0.000 2.502 1096 E HA 0.028 4.633 4.350 0.426 0.000 0.194 1096 E C 0.732 177.204 176.600 -0.213 0.000 1.062 1096 E CA 0.253 56.555 56.400 -0.163 0.000 0.867 1096 E CB -0.524 29.088 29.700 -0.148 0.000 0.888 1096 E HN 0.174 nan 8.360 nan 0.000 0.510 1097 V N -2.422 117.289 119.914 -0.338 0.000 3.126 1097 V HA 0.534 4.909 4.120 0.426 0.000 0.314 1097 V C 0.141 176.112 176.094 -0.205 0.000 1.138 1097 V CA -1.310 60.753 62.300 -0.395 0.000 1.034 1097 V CB 1.729 32.854 31.823 -1.163 0.000 1.075 1097 V HN -0.153 nan 8.190 nan 0.000 0.442 1098 V N 2.161 122.101 119.914 0.044 0.000 2.470 1098 V HA 0.308 4.683 4.120 0.426 0.000 0.276 1098 V C 1.455 177.701 176.094 0.253 0.000 1.040 1098 V CA 0.919 63.330 62.300 0.185 0.000 1.008 1098 V CB 0.399 32.440 31.823 0.364 0.000 0.990 1098 V HN 1.214 nan 8.190 nan 0.000 0.477 1099 T N 1.105 115.745 114.554 0.143 0.000 2.975 1099 T HA 0.396 5.001 4.350 0.426 0.000 0.257 1099 T C 0.305 175.143 174.700 0.231 0.000 1.003 1099 T CA -0.143 62.108 62.100 0.251 0.000 0.932 1099 T CB 0.446 69.360 68.868 0.077 0.000 1.087 1099 T HN 0.320 nan 8.240 nan 0.000 0.512 1100 M N 2.949 122.602 119.600 0.088 0.000 2.378 1100 M HA 0.405 5.140 4.480 0.426 0.000 0.289 1100 M C -0.347 175.906 176.300 -0.079 0.000 1.136 1100 M CA -0.479 54.817 55.300 -0.006 0.000 0.917 1100 M CB 2.155 34.750 32.600 -0.008 0.000 1.669 1100 M HN 0.325 nan 8.290 nan 0.000 0.461 1101 T N -1.351 113.038 114.554 -0.274 0.000 2.824 1101 T HA 0.365 4.970 4.350 0.426 0.000 0.277 1101 T C 0.989 175.454 174.700 -0.392 0.000 0.975 1101 T CA -0.513 61.299 62.100 -0.481 0.000 0.966 1101 T CB 1.627 69.641 68.868 -1.423 0.000 1.054 1101 T HN 0.798 nan 8.240 nan 0.000 0.533 1102 K N -0.370 119.855 120.400 -0.291 0.000 2.283 1102 K HA -0.021 4.554 4.320 0.426 0.000 0.202 1102 K C 1.219 177.880 176.600 0.103 0.000 1.048 1102 K CA 1.027 57.313 56.287 -0.003 0.000 0.948 1102 K CB -0.143 32.450 32.500 0.154 0.000 0.742 1102 K HN 0.877 nan 8.250 nan 0.000 0.458 1103 W N 1.110 122.476 121.300 0.110 0.000 3.325 1103 W HA 0.331 5.242 4.660 0.419 0.000 0.370 1103 W C -0.632 175.933 176.519 0.076 0.000 1.169 1103 W CA -0.683 56.713 57.345 0.086 0.000 1.874 1103 W CB 0.425 29.936 29.460 0.086 0.000 1.076 1103 W HN -0.177 nan 8.180 nan 0.000 0.684 1104 K N -0.535 119.800 120.400 -0.110 0.000 3.192 1104 K HA -0.214 4.361 4.320 0.426 0.000 0.278 1104 K C 0.069 176.603 176.600 -0.110 0.000 1.164 1104 K CA 1.294 57.535 56.287 -0.078 0.000 0.816 1104 K CB -2.260 30.262 32.500 0.036 0.000 1.256 1104 K HN 0.519 nan 8.250 nan 0.000 0.497 1105 A N 1.350 123.987 122.820 -0.305 0.000 2.306 1105 A HA 0.658 5.233 4.320 0.426 0.000 0.314 1105 A C -2.037 175.404 177.584 -0.239 0.000 1.164 1105 A CA -1.303 50.627 52.037 -0.179 0.000 0.822 1105 A CB 0.805 19.764 19.000 -0.067 0.000 1.130 1105 A HN -0.000 nan 8.150 nan 0.000 0.496 1106 P HA 0.340 nan 4.420 nan 0.000 0.282 1106 P C -0.874 176.241 177.300 -0.308 0.000 1.249 1106 P CA -0.240 62.552 63.100 -0.513 0.000 0.806 1106 P CB 1.426 32.356 31.700 -1.282 0.000 0.984 1107 V N 3.577 123.429 119.914 -0.104 0.000 2.313 1107 V HA 0.102 4.477 4.120 0.426 0.000 0.278 1107 V C 0.430 176.637 176.094 0.188 0.000 1.017 1107 V CA -0.760 61.543 62.300 0.006 0.000 0.823 1107 V CB 1.511 33.423 31.823 0.148 0.000 1.010 1107 V HN 0.262 nan 8.190 nan 0.000 0.443 1108 V N 5.260 125.192 119.914 0.030 0.000 2.415 1108 V HA 0.203 4.578 4.120 0.426 0.000 0.267 1108 V C -0.311 175.918 176.094 0.224 0.000 1.042 1108 V CA -0.151 62.295 62.300 0.243 0.000 1.000 1108 V CB -0.305 31.563 31.823 0.075 0.000 1.015 1108 V HN 0.817 nan 8.190 nan 0.000 0.478 1109 W N 2.026 123.547 121.300 0.369 0.000 2.719 1109 W HA 0.577 5.562 4.660 0.541 0.000 0.352 1109 W C 0.295 176.982 176.519 0.280 0.000 1.085 1109 W CA -1.007 56.492 57.345 0.256 0.000 1.187 1109 W CB 0.942 30.468 29.460 0.110 0.000 1.417 1109 W HN 0.451 nan 8.180 nan 0.000 0.557 1110 E N 0.602 121.052 120.200 0.415 0.000 2.452 1110 E HA 0.341 4.947 4.350 0.426 0.000 0.261 1110 E C 1.081 177.701 176.600 0.034 0.000 0.987 1110 E CA 1.942 58.462 56.400 0.201 0.000 0.926 1110 E CB 0.397 30.154 29.700 0.093 0.000 0.934 1110 E HN 0.662 nan 8.360 nan 0.000 0.452 1111 G N 2.846 111.514 108.800 -0.221 0.000 2.258 1111 G HA2 -0.345 3.870 3.960 0.426 0.000 0.233 1111 G HA3 -0.345 3.870 3.960 0.426 0.000 0.233 1111 G C 1.040 175.830 174.900 -0.184 0.000 1.006 1111 G CA 0.912 45.895 45.100 -0.196 0.000 0.620 1111 G HN 0.864 nan 8.290 nan 0.000 0.511 1112 T N -1.497 113.003 114.554 -0.090 0.000 3.057 1112 T HA 0.432 5.037 4.350 0.426 0.000 0.254 1112 T C 0.990 175.725 174.700 0.058 0.000 1.094 1112 T CA 1.151 63.197 62.100 -0.090 0.000 1.088 1112 T CB -0.096 68.757 68.868 -0.025 0.000 0.934 1112 T HN 1.319 nan 8.240 nan 0.000 0.497 1113 Y N 0.414 120.880 120.300 0.277 0.000 2.387 1113 Y HA 0.721 5.526 4.550 0.425 0.000 0.330 1113 Y C -0.255 175.831 175.900 0.310 0.000 1.133 1113 Y CA -2.471 55.896 58.100 0.444 0.000 1.152 1113 Y CB 0.733 39.535 38.460 0.571 0.000 1.215 1113 Y HN -0.140 nan 8.280 nan 0.000 0.466 1114 N N 3.592 122.628 118.700 0.561 0.000 2.955 1114 N HA 0.149 5.145 4.740 0.426 0.000 0.242 1114 N C 0.700 176.460 175.510 0.417 0.000 1.123 1114 N CA -0.240 53.032 53.050 0.370 0.000 0.949 1114 N CB 0.393 39.048 38.487 0.280 0.000 1.214 1114 N HN 0.991 nan 8.380 nan 0.000 0.504 1115 R N 2.158 122.937 120.500 0.465 0.000 2.120 1115 R HA -0.084 4.512 4.340 0.426 0.000 0.234 1115 R C 1.632 178.069 176.300 0.228 0.000 1.123 1115 R CA 1.629 57.921 56.100 0.321 0.000 0.975 1115 R CB 0.095 30.587 30.300 0.320 0.000 0.866 1115 R HN 0.512 nan 8.270 nan 0.000 0.446 1116 A N 0.229 123.172 122.820 0.205 0.000 1.883 1116 A HA -0.137 4.439 4.320 0.426 0.000 0.217 1116 A C 2.234 179.913 177.584 0.158 0.000 1.186 1116 A CA 1.701 53.833 52.037 0.158 0.000 0.624 1116 A CB -0.643 18.433 19.000 0.127 0.000 0.822 1116 A HN 0.223 nan 8.150 nan 0.000 0.444 1117 V N 0.054 120.070 119.914 0.170 0.000 2.295 1117 V HA -0.260 4.115 4.120 0.426 0.000 0.246 1117 V C 2.584 178.770 176.094 0.152 0.000 1.049 1117 V CA 2.033 64.427 62.300 0.157 0.000 1.024 1117 V CB -0.699 31.228 31.823 0.174 0.000 0.648 1117 V HN 0.573 nan 8.190 nan 0.000 0.447 1118 L N -0.534 120.782 121.223 0.155 0.000 2.056 1118 L HA -0.158 4.438 4.340 0.426 0.000 0.207 1118 L C 2.397 179.420 176.870 0.254 0.000 1.078 1118 L CA 1.471 56.382 54.840 0.118 0.000 0.749 1118 L CB -0.757 41.340 42.059 0.063 0.000 0.901 1118 L HN 0.327 nan 8.230 nan 0.000 0.433 1119 D N 0.006 120.565 120.400 0.266 0.000 2.149 1119 D HA -0.212 4.684 4.640 0.426 0.000 0.198 1119 D C 1.882 178.360 176.300 0.298 0.000 0.990 1119 D CA 1.429 55.647 54.000 0.363 0.000 0.839 1119 D CB -0.179 40.784 40.800 0.271 0.000 0.948 1119 D HN 0.300 nan 8.370 nan 0.000 0.460 1120 N N -0.448 118.371 118.700 0.198 0.000 2.142 1120 N HA -0.210 4.786 4.740 0.426 0.000 0.186 1120 N C 1.852 177.444 175.510 0.136 0.000 1.023 1120 N CA 0.870 54.008 53.050 0.145 0.000 0.852 1120 N CB -0.361 38.197 38.487 0.119 0.000 0.998 1120 N HN 0.131 nan 8.380 nan 0.000 0.424 1121 Y N -0.041 120.251 120.300 -0.012 0.000 2.128 1121 Y HA -0.227 4.578 4.550 0.424 0.000 0.284 1121 Y C 1.535 177.360 175.900 -0.125 0.000 1.154 1121 Y CA 1.869 59.891 58.100 -0.131 0.000 1.149 1121 Y CB -0.627 37.646 38.460 -0.312 0.000 0.976 1121 Y HN 0.220 nan 8.280 nan 0.000 0.505 1122 Y N -0.825 119.501 120.300 0.043 0.000 2.337 1122 Y HA -0.049 4.757 4.550 0.428 0.000 0.293 1122 Y C 2.585 178.511 175.900 0.043 0.000 1.123 1122 Y CA 0.522 58.594 58.100 -0.047 0.000 1.201 1122 Y CB -0.515 37.889 38.460 -0.093 0.000 1.011 1122 Y HN 0.221 nan 8.280 nan 0.000 0.545 1123 A N 0.681 123.682 122.820 0.301 0.000 1.902 1123 A HA -0.220 4.355 4.320 0.426 0.000 0.217 1123 A C 2.080 179.708 177.584 0.074 0.000 1.181 1123 A CA 1.763 53.918 52.037 0.198 0.000 0.623 1123 A CB -0.461 18.609 19.000 0.116 0.000 0.818 1123 A HN 0.377 nan 8.150 nan 0.000 0.443 1124 K N -0.457 119.949 120.400 0.010 0.000 2.147 1124 K HA -0.139 4.436 4.320 0.426 0.000 0.205 1124 K C 2.028 178.591 176.600 -0.062 0.000 1.049 1124 K CA 1.474 57.738 56.287 -0.038 0.000 0.936 1124 K CB -0.141 32.315 32.500 -0.073 0.000 0.722 1124 K HN 0.610 nan 8.250 nan 0.000 0.446 1125 Q N 0.608 120.350 119.800 -0.097 0.000 2.432 1125 Q HA 0.017 4.613 4.340 0.426 0.000 0.205 1125 Q C -0.479 175.532 176.000 0.018 0.000 0.945 1125 Q CA 0.224 55.985 55.803 -0.071 0.000 0.924 1125 Q CB 0.204 28.875 28.738 -0.111 0.000 1.016 1125 Q HN 0.146 nan 8.270 nan 0.000 0.503 1126 K N 1.359 121.791 120.400 0.054 0.000 3.419 1126 K HA -0.178 4.397 4.320 0.426 0.000 0.272 1126 K C -0.100 176.550 176.600 0.083 0.000 0.973 1126 K CA 0.238 56.567 56.287 0.071 0.000 0.749 1126 K CB -2.077 30.446 32.500 0.038 0.000 1.403 1126 K HN 0.427 nan 8.250 nan 0.000 0.456 1127 I N -2.845 117.798 120.570 0.122 0.000 2.834 1127 I HA 0.411 4.836 4.170 0.426 0.000 0.305 1127 I C 0.225 176.392 176.117 0.083 0.000 1.008 1127 I CA -0.312 61.051 61.300 0.105 0.000 1.273 1127 I CB 1.548 39.626 38.000 0.130 0.000 1.432 1127 I HN -0.032 nan 8.210 nan 0.000 0.557 1128 T N 3.407 118.004 114.554 0.070 0.000 2.881 1128 T HA 0.539 5.144 4.350 0.426 0.000 0.290 1128 T C -0.608 174.142 174.700 0.082 0.000 1.000 1128 T CA -0.431 61.705 62.100 0.059 0.000 0.978 1128 T CB 1.876 70.775 68.868 0.052 0.000 0.997 1128 T HN 0.447 nan 8.240 nan 0.000 0.443 1129 V N 2.378 122.337 119.914 0.075 0.000 2.459 1129 V HA 0.799 5.175 4.120 0.426 0.000 0.295 1129 V C 0.738 176.962 176.094 0.216 0.000 1.029 1129 V CA -0.682 61.713 62.300 0.159 0.000 0.874 1129 V CB 1.760 33.638 31.823 0.091 0.000 0.985 1129 V HN 1.022 nan 8.190 nan 0.000 0.438 1130 G N 2.950 111.923 108.800 0.288 0.000 2.461 1130 G HA2 0.692 4.907 3.960 0.426 0.000 0.329 1130 G HA3 0.692 4.907 3.960 0.426 0.000 0.329 1130 G C -1.517 173.598 174.900 0.358 0.000 1.170 1130 G CA -0.517 44.767 45.100 0.305 0.000 0.935 1130 G HN 0.615 nan 8.290 nan 0.000 0.492 1131 L N 1.062 122.460 121.223 0.291 0.000 2.541 1131 L HA 0.530 5.125 4.340 0.426 0.000 0.266 1131 L C 0.256 177.312 176.870 0.311 0.000 0.966 1131 L CA -0.475 54.506 54.840 0.234 0.000 0.871 1131 L CB 1.701 43.764 42.059 0.006 0.000 1.232 1131 L HN 0.762 nan 8.230 nan 0.000 0.408 1132 T N 1.727 116.424 114.554 0.238 0.000 2.907 1132 T HA 0.786 5.391 4.350 0.426 0.000 0.284 1132 T C -0.553 174.193 174.700 0.077 0.000 1.004 1132 T CA -0.688 61.513 62.100 0.169 0.000 1.063 1132 T CB 1.759 70.680 68.868 0.089 0.000 0.992 1132 T HN 0.739 nan 8.240 nan 0.000 0.483 1133 V N 3.247 123.151 119.914 -0.016 0.000 2.891 1133 V HA 0.659 5.035 4.120 0.426 0.000 0.304 1133 V C -2.024 173.999 176.094 -0.118 0.000 1.171 1133 V CA -1.077 61.171 62.300 -0.086 0.000 0.943 1133 V CB 1.648 33.280 31.823 -0.318 0.000 1.037 1133 V HN 0.907 nan 8.190 nan 0.000 0.427 1134 F N 4.513 124.372 119.950 -0.152 0.000 2.450 1134 F HA 0.900 5.679 4.527 0.421 0.000 0.332 1134 F C 0.512 176.262 175.800 -0.083 0.000 1.093 1134 F CA -0.242 57.700 58.000 -0.095 0.000 1.003 1134 F CB 2.274 41.214 39.000 -0.101 0.000 1.151 1134 F HN 0.715 nan 8.300 nan 0.000 0.474 1135 A N 2.714 125.609 122.820 0.126 0.000 2.499 1135 A HA 0.722 5.297 4.320 0.426 0.000 0.280 1135 A C -1.792 175.861 177.584 0.116 0.000 1.135 1135 A CA -0.547 51.568 52.037 0.130 0.000 0.744 1135 A CB 0.708 19.780 19.000 0.120 0.000 1.213 1135 A HN 0.500 nan 8.150 nan 0.000 0.434 1136 V N 2.441 122.406 119.914 0.084 0.000 2.540 1136 V HA 0.826 5.202 4.120 0.426 0.000 0.302 1136 V C 1.004 177.165 176.094 0.112 0.000 1.035 1136 V CA 0.705 63.049 62.300 0.072 0.000 0.873 1136 V CB 0.875 32.715 31.823 0.029 0.000 0.992 1136 V HN 2.274 nan 8.190 nan 0.000 0.428 1137 G N 5.118 113.989 108.800 0.118 0.000 2.528 1137 G HA2 -0.221 3.995 3.960 0.426 0.000 0.262 1137 G HA3 -0.221 3.995 3.960 0.426 0.000 0.262 1137 G C 0.706 175.706 174.900 0.166 0.000 1.200 1137 G CA 0.298 45.480 45.100 0.136 0.000 0.951 1137 G HN 0.577 nan 8.290 nan 0.000 0.566 1138 R N -0.416 120.181 120.500 0.162 0.000 2.200 1138 R HA -0.029 4.567 4.340 0.426 0.000 0.234 1138 R C 2.322 178.669 176.300 0.078 0.000 1.127 1138 R CA 2.023 58.174 56.100 0.086 0.000 0.989 1138 R CB -0.940 29.325 30.300 -0.058 0.000 0.869 1138 R HN 0.692 nan 8.270 nan 0.000 0.459 1139 Y N 0.508 120.817 120.300 0.015 0.000 2.315 1139 Y HA -0.179 4.624 4.550 0.421 0.000 0.288 1139 Y C 2.282 178.234 175.900 0.088 0.000 1.154 1139 Y CA 0.767 58.929 58.100 0.102 0.000 1.229 1139 Y CB -0.298 38.275 38.460 0.188 0.000 0.980 1139 Y HN -0.016 nan 8.280 nan 0.000 0.540 1140 I N -0.198 120.498 120.570 0.209 0.000 2.113 1140 I HA -0.271 4.154 4.170 0.426 0.000 0.238 1140 I C 2.032 178.189 176.117 0.067 0.000 1.070 1140 I CA 1.450 62.827 61.300 0.127 0.000 1.332 1140 I CB -0.336 37.721 38.000 0.095 0.000 1.044 1140 I HN 0.115 nan 8.210 nan 0.000 0.402 1141 E N -0.012 120.216 120.200 0.046 0.000 2.110 1141 E HA -0.191 4.415 4.350 0.426 0.000 0.193 1141 E C 2.142 178.677 176.600 -0.110 0.000 0.988 1141 E CA 1.102 57.494 56.400 -0.013 0.000 0.804 1141 E CB -0.307 29.394 29.700 0.001 0.000 0.745 1141 E HN 0.507 nan 8.360 nan 0.000 0.458 1142 H N -1.872 117.006 119.070 -0.319 0.000 2.363 1142 H HA -0.023 4.788 4.556 0.424 0.000 0.301 1142 H C 0.921 175.861 175.328 -0.648 0.000 1.074 1142 H CA 1.477 57.128 56.048 -0.661 0.000 1.354 1142 H CB 0.302 29.314 29.762 -1.250 0.000 1.397 1142 H HN 0.324 nan 8.280 nan 0.000 0.516 1143 Y N -1.827 118.547 120.300 0.123 0.000 2.425 1143 Y HA 0.019 4.830 4.550 0.435 0.000 0.261 1143 Y C 1.969 177.942 175.900 0.120 0.000 1.084 1143 Y CA -0.348 57.816 58.100 0.107 0.000 1.248 1143 Y CB 0.244 38.763 38.460 0.098 0.000 1.270 1143 Y HN -0.052 nan 8.280 nan 0.000 0.524 1144 L N 1.299 122.652 121.223 0.218 0.000 2.046 1144 L HA -0.167 4.428 4.340 0.426 0.000 0.208 1144 L C 2.477 179.425 176.870 0.130 0.000 1.077 1144 L CA 1.979 56.916 54.840 0.161 0.000 0.747 1144 L CB -0.497 41.615 42.059 0.089 0.000 0.896 1144 L HN 0.230 nan 8.230 nan 0.000 0.432 1145 E N 0.088 120.330 120.200 0.070 0.000 2.051 1145 E HA -0.262 4.343 4.350 0.426 0.000 0.192 1145 E C 1.983 178.606 176.600 0.038 0.000 0.991 1145 E CA 1.877 58.289 56.400 0.020 0.000 0.799 1145 E CB -0.099 29.598 29.700 -0.004 0.000 0.748 1145 E HN 0.677 nan 8.360 nan 0.000 0.449 1146 E N -0.521 119.735 120.200 0.094 0.000 2.110 1146 E HA -0.164 4.442 4.350 0.426 0.000 0.193 1146 E C 2.011 178.687 176.600 0.127 0.000 0.988 1146 E CA 1.032 57.496 56.400 0.107 0.000 0.804 1146 E CB -0.329 29.463 29.700 0.153 0.000 0.745 1146 E HN 0.239 nan 8.360 nan 0.000 0.458 1147 F N 1.513 121.495 119.950 0.054 0.000 2.051 1147 F HA -0.185 4.589 4.527 0.410 0.000 0.296 1147 F C 1.946 177.718 175.800 -0.047 0.000 1.122 1147 F CA 1.406 59.436 58.000 0.051 0.000 1.201 1147 F CB -0.194 38.823 39.000 0.029 0.000 0.978 1147 F HN -0.105 nan 8.300 nan 0.000 0.472 1148 L N -0.547 120.621 121.223 -0.092 0.000 2.083 1148 L HA -0.225 4.371 4.340 0.426 0.000 0.209 1148 L C 2.348 178.978 176.870 -0.400 0.000 1.083 1148 L CA 1.729 56.328 54.840 -0.403 0.000 0.752 1148 L CB -1.243 40.634 42.059 -0.304 0.000 0.899 1148 L HN 0.176 nan 8.230 nan 0.000 0.433 1149 T N -0.627 113.800 114.554 -0.211 0.000 2.746 1149 T HA -0.160 4.445 4.350 0.426 0.000 0.267 1149 T C 2.141 176.740 174.700 -0.169 0.000 1.039 1149 T CA 1.708 63.714 62.100 -0.157 0.000 1.142 1149 T CB -0.159 68.664 68.868 -0.074 0.000 0.866 1149 T HN 0.563 nan 8.240 nan 0.000 0.444 1150 S N 1.734 117.356 115.700 -0.131 0.000 2.387 1150 S HA 0.115 4.841 4.470 0.426 0.000 0.226 1150 S C 2.442 176.887 174.600 -0.258 0.000 1.026 1150 S CA 0.781 58.964 58.200 -0.028 0.000 0.972 1150 S CB -0.562 62.761 63.200 0.204 0.000 0.814 1150 S HN 0.471 nan 8.310 nan 0.000 0.477 1151 A N 2.772 125.219 122.820 -0.623 0.000 1.902 1151 A HA -0.116 4.460 4.320 0.426 0.000 0.217 1151 A C 2.096 179.410 177.584 -0.450 0.000 1.181 1151 A CA 1.822 53.180 52.037 -1.131 0.000 0.623 1151 A CB -1.341 16.872 19.000 -1.313 0.000 0.818 1151 A HN 0.636 nan 8.150 nan 0.000 0.443 1152 N N -0.161 118.357 118.700 -0.304 0.000 2.149 1152 N HA -0.210 4.786 4.740 0.426 0.000 0.188 1152 N C 1.689 177.144 175.510 -0.091 0.000 1.019 1152 N CA 2.110 55.149 53.050 -0.018 0.000 0.857 1152 N CB -0.240 38.213 38.487 -0.057 0.000 0.997 1152 N HN 0.577 nan 8.380 nan 0.000 0.426 1153 K N -1.595 118.663 120.400 -0.236 0.000 2.186 1153 K HA -0.059 4.516 4.320 0.426 0.000 0.202 1153 K C 0.942 177.293 176.600 -0.415 0.000 1.052 1153 K CA 0.984 57.055 56.287 -0.361 0.000 0.965 1153 K CB 0.049 32.225 32.500 -0.540 0.000 0.746 1153 K HN 0.396 nan 8.250 nan 0.000 0.457 1154 H N -1.804 117.203 119.070 -0.105 0.000 3.058 1154 H HA 0.058 4.877 4.556 0.438 0.000 0.258 1154 H C -0.491 174.814 175.328 -0.039 0.000 1.015 1154 H CA -0.315 55.712 56.048 -0.035 0.000 1.210 1154 H CB 0.186 29.997 29.762 0.081 0.000 1.481 1154 H HN 0.036 nan 8.280 nan 0.000 0.492 1155 F N 3.772 123.535 119.950 -0.310 0.000 2.466 1155 F HA 0.164 4.932 4.527 0.400 0.000 0.363 1155 F C 0.708 176.475 175.800 -0.054 0.000 1.109 1155 F CA -0.604 57.236 58.000 -0.267 0.000 1.161 1155 F CB 0.295 38.987 39.000 -0.513 0.000 1.117 1155 F HN -0.002 nan 8.300 nan 0.000 0.539 1156 M N 5.180 124.488 119.600 -0.487 0.000 2.206 1156 M HA -0.191 4.544 4.480 0.426 0.000 0.197 1156 M C -0.479 175.783 176.300 -0.064 0.000 0.375 1156 M CA 0.304 55.387 55.300 -0.361 0.000 0.410 1156 M CB -2.855 29.365 32.600 -0.633 0.000 1.204 1156 M HN 0.166 nan 8.290 nan 0.000 0.932 1157 V N 0.375 120.286 119.914 -0.004 0.000 2.694 1157 V HA 0.340 4.715 4.120 0.426 0.000 0.306 1157 V C 1.737 177.826 176.094 -0.009 0.000 1.054 1157 V CA 1.683 63.987 62.300 0.006 0.000 1.161 1157 V CB 0.944 32.779 31.823 0.021 0.000 0.916 1157 V HN 1.029 nan 8.190 nan 0.000 0.490 1158 G N 3.203 111.944 108.800 -0.098 0.000 2.175 1158 G HA2 -0.175 4.041 3.960 0.426 0.000 0.244 1158 G HA3 -0.175 4.041 3.960 0.426 0.000 0.244 1158 G C 0.015 174.585 174.900 -0.550 0.000 0.982 1158 G CA 0.083 45.017 45.100 -0.277 0.000 0.641 1158 G HN 0.816 nan 8.290 nan 0.000 0.527 1159 H N -0.329 118.707 119.070 -0.057 0.000 2.851 1159 H HA 0.374 5.185 4.556 0.426 0.000 0.372 1159 H C -2.766 172.517 175.328 -0.075 0.000 1.158 1159 H CA -1.769 54.243 56.048 -0.060 0.000 1.159 1159 H CB 2.122 31.832 29.762 -0.086 0.000 1.757 1159 H HN 0.010 nan 8.280 nan 0.000 0.546 1160 P HA 0.023 nan 4.420 nan 0.000 0.264 1160 P C -0.543 176.735 177.300 -0.037 0.000 1.193 1160 P CA 0.119 63.214 63.100 -0.009 0.000 0.763 1160 P CB 0.647 32.350 31.700 0.005 0.000 0.810 1161 V N 5.457 125.296 119.914 -0.125 0.000 2.789 1161 V HA 0.462 4.837 4.120 0.426 0.000 0.311 1161 V C -0.048 175.807 176.094 -0.398 0.000 1.073 1161 V CA -0.572 61.599 62.300 -0.215 0.000 0.921 1161 V CB 2.182 33.852 31.823 -0.256 0.000 1.009 1161 V HN 0.352 nan 8.190 nan 0.000 0.426 1162 I N 3.977 124.297 120.570 -0.418 0.000 2.418 1162 I HA 0.467 4.892 4.170 0.426 0.000 0.287 1162 I C -1.107 174.619 176.117 -0.652 0.000 1.008 1162 I CA -0.254 60.730 61.300 -0.527 0.000 1.104 1162 I CB 1.718 39.429 38.000 -0.482 0.000 1.264 1162 I HN 0.432 nan 8.210 nan 0.000 0.438 1163 F N 5.400 125.213 119.950 -0.229 0.000 2.405 1163 F HA 0.383 5.162 4.527 0.419 0.000 0.355 1163 F C -0.370 175.344 175.800 -0.145 0.000 1.121 1163 F CA -0.660 57.251 58.000 -0.150 0.000 1.112 1163 F CB 0.740 39.727 39.000 -0.021 0.000 1.126 1163 F HN 0.309 nan 8.300 nan 0.000 0.481 1164 Y N 4.457 124.945 120.300 0.314 0.000 2.385 1164 Y HA 0.480 5.284 4.550 0.423 0.000 0.341 1164 Y C -0.025 175.948 175.900 0.122 0.000 0.965 1164 Y CA -0.733 57.514 58.100 0.247 0.000 1.180 1164 Y CB 0.694 39.253 38.460 0.165 0.000 1.139 1164 Y HN 0.367 nan 8.280 nan 0.000 0.502 1165 I N 4.967 125.707 120.570 0.282 0.000 2.330 1165 I HA 0.302 4.727 4.170 0.426 0.000 0.289 1165 I C -0.665 175.469 176.117 0.029 0.000 1.001 1165 I CA -0.628 60.731 61.300 0.099 0.000 1.193 1165 I CB 1.047 39.113 38.000 0.111 0.000 1.345 1165 I HN 0.487 nan 8.210 nan 0.000 0.461 1166 M N 8.009 127.469 119.600 -0.234 0.000 2.072 1166 M HA 0.432 5.167 4.480 0.426 0.000 0.331 1166 M C -0.461 175.761 176.300 -0.130 0.000 1.004 1166 M CA -0.537 54.580 55.300 -0.305 0.000 0.952 1166 M CB 1.431 33.439 32.600 -0.987 0.000 1.511 1166 M HN 0.405 nan 8.290 nan 0.000 0.422 1167 V N 0.042 119.957 119.914 0.002 0.000 3.102 1167 V HA 0.703 5.078 4.120 0.426 0.000 0.312 1167 V C 0.152 176.287 176.094 0.068 0.000 1.135 1167 V CA -0.755 61.574 62.300 0.048 0.000 1.022 1167 V CB 2.164 34.017 31.823 0.050 0.000 1.056 1167 V HN 0.840 nan 8.190 nan 0.000 0.436 1168 D N -0.341 120.103 120.400 0.073 0.000 2.348 1168 D HA 0.058 4.954 4.640 0.426 0.000 0.211 1168 D C -0.004 176.331 176.300 0.059 0.000 0.998 1168 D CA 0.527 54.569 54.000 0.069 0.000 0.873 1168 D CB 0.548 41.388 40.800 0.066 0.000 0.925 1168 D HN 0.659 nan 8.370 nan 0.000 0.524 1169 D N 0.467 120.900 120.400 0.056 0.000 2.336 1169 D HA 0.101 4.997 4.640 0.426 0.000 0.248 1169 D C 0.989 177.317 176.300 0.045 0.000 1.326 1169 D CA -0.579 53.450 54.000 0.048 0.000 0.973 1169 D CB 1.902 42.729 40.800 0.045 0.000 1.255 1169 D HN -0.266 nan 8.370 nan 0.000 0.558 1170 V N 2.539 122.479 119.914 0.043 0.000 2.720 1170 V HA -0.180 4.195 4.120 0.426 0.000 0.256 1170 V C 2.372 178.487 176.094 0.035 0.000 1.082 1170 V CA 2.032 64.356 62.300 0.041 0.000 1.101 1170 V CB -0.603 31.241 31.823 0.035 0.000 0.693 1170 V HN 0.653 nan 8.190 nan 0.000 0.479 1171 S N 0.337 116.055 115.700 0.031 0.000 2.515 1171 S HA -0.095 4.631 4.470 0.426 0.000 0.231 1171 S C 1.803 176.417 174.600 0.025 0.000 0.987 1171 S CA 0.746 58.961 58.200 0.025 0.000 0.936 1171 S CB -0.320 62.893 63.200 0.022 0.000 0.766 1171 S HN 0.646 nan 8.310 nan 0.000 0.528 1172 R N -0.136 120.381 120.500 0.029 0.000 2.362 1172 R HA 0.349 4.944 4.340 0.426 0.000 0.227 1172 R C 0.157 176.471 176.300 0.023 0.000 0.905 1172 R CA -0.199 55.916 56.100 0.026 0.000 1.067 1172 R CB -0.048 30.272 30.300 0.033 0.000 1.078 1172 R HN 0.444 nan 8.270 nan 0.000 0.516 1173 M N 3.655 123.271 119.600 0.026 0.000 2.427 1173 M HA 0.092 4.828 4.480 0.426 0.000 0.345 1173 M C -2.214 174.085 176.300 -0.002 0.000 1.653 1173 M CA -1.825 53.486 55.300 0.019 0.000 1.138 1173 M CB 0.443 33.066 32.600 0.040 0.000 1.995 1173 M HN -0.215 nan 8.290 nan 0.000 0.459 1174 P HA 0.121 nan 4.420 nan 0.000 0.275 1174 P C -1.279 175.969 177.300 -0.085 0.000 1.276 1174 P CA 0.100 63.175 63.100 -0.041 0.000 0.782 1174 P CB 0.141 31.818 31.700 -0.039 0.000 0.851 1175 L N 5.874 127.063 121.223 -0.057 0.000 2.282 1175 L HA 0.353 4.948 4.340 0.426 0.000 0.287 1175 L C 1.104 177.931 176.870 -0.072 0.000 1.075 1175 L CA -0.728 54.070 54.840 -0.071 0.000 0.839 1175 L CB 0.030 42.106 42.059 0.028 0.000 1.219 1175 L HN 0.370 nan 8.230 nan 0.000 0.434 1176 I N -0.759 119.733 120.570 -0.130 0.000 2.918 1176 I HA 0.481 4.907 4.170 0.426 0.000 0.316 1176 I C 0.046 176.128 176.117 -0.059 0.000 1.001 1176 I CA -0.808 60.437 61.300 -0.091 0.000 1.142 1176 I CB 1.426 39.356 38.000 -0.116 0.000 1.356 1176 I HN 0.483 nan 8.210 nan 0.000 0.524 1177 E N 2.869 123.050 120.200 -0.032 0.000 2.289 1177 E HA 0.403 5.008 4.350 0.426 0.000 0.278 1177 E C -1.301 175.299 176.600 -0.001 0.000 1.032 1177 E CA -0.594 55.805 56.400 -0.001 0.000 0.854 1177 E CB 1.060 30.760 29.700 -0.001 0.000 1.046 1177 E HN 0.535 nan 8.360 nan 0.000 0.409 1178 L N 3.268 124.514 121.223 0.039 0.000 2.360 1178 L HA 0.516 5.111 4.340 0.426 0.000 0.271 1178 L C 0.870 177.766 176.870 0.044 0.000 1.057 1178 L CA -0.749 54.129 54.840 0.063 0.000 0.803 1178 L CB 1.563 43.708 42.059 0.143 0.000 1.207 1178 L HN 0.661 nan 8.230 nan 0.000 0.445 1179 G N 1.075 109.896 108.800 0.035 0.000 2.532 1179 G HA2 0.497 4.713 3.960 0.426 0.000 0.291 1179 G HA3 0.497 4.713 3.960 0.426 0.000 0.291 1179 G C -2.665 172.240 174.900 0.008 0.000 1.349 1179 G CA -1.329 43.778 45.100 0.011 0.000 1.038 1179 G HN 0.344 nan 8.290 nan 0.000 0.518 1180 P HA 0.148 nan 4.420 nan 0.000 0.264 1180 P C 0.466 177.752 177.300 -0.024 0.000 1.183 1180 P CA 0.343 63.434 63.100 -0.015 0.000 0.763 1180 P CB 0.329 32.016 31.700 -0.021 0.000 0.807 1181 L N -0.953 120.253 121.223 -0.029 0.000 4.496 1181 L HA -0.274 4.321 4.340 0.426 0.000 0.419 1181 L C 0.228 177.056 176.870 -0.069 0.000 1.139 1181 L CA 0.698 55.511 54.840 -0.044 0.000 0.975 1181 L CB -1.254 40.776 42.059 -0.048 0.000 2.099 1181 L HN 0.493 nan 8.230 nan 0.000 0.818 1182 R N 0.165 120.633 120.500 -0.052 0.000 2.637 1182 R HA 0.824 5.420 4.340 0.426 0.000 0.291 1182 R C -0.103 176.182 176.300 -0.024 0.000 0.963 1182 R CA 0.301 56.349 56.100 -0.087 0.000 0.901 1182 R CB 2.151 32.475 30.300 0.039 0.000 1.160 1182 R HN 0.256 nan 8.270 nan 0.000 0.457 1183 S N 1.159 116.827 115.700 -0.054 0.000 2.611 1183 S HA 0.797 5.522 4.470 0.426 0.000 0.268 1183 S C -1.241 173.445 174.600 0.143 0.000 1.156 1183 S CA -0.967 57.268 58.200 0.060 0.000 0.817 1183 S CB 1.178 64.353 63.200 -0.043 0.000 1.122 1183 S HN 0.585 nan 8.310 nan 0.000 0.466 1184 F N -1.127 118.794 119.950 -0.049 0.000 2.831 1184 F HA 0.898 5.681 4.527 0.427 0.000 0.318 1184 F C -2.055 173.713 175.800 -0.053 0.000 1.174 1184 F CA -1.059 56.922 58.000 -0.033 0.000 0.918 1184 F CB 1.106 40.170 39.000 0.107 0.000 1.364 1184 F HN 0.997 nan 8.300 nan 0.000 0.475 1185 K N 0.896 121.249 120.400 -0.078 0.000 2.572 1185 K HA 0.708 5.283 4.320 0.426 0.000 0.263 1185 K C -2.444 174.130 176.600 -0.044 0.000 0.932 1185 K CA -0.980 55.128 56.287 -0.297 0.000 0.838 1185 K CB 2.305 34.613 32.500 -0.319 0.000 1.366 1185 K HN 0.633 nan 8.250 nan 0.000 0.425 1186 V N 2.008 121.802 119.914 -0.200 0.000 2.667 1186 V HA 0.628 5.003 4.120 0.426 0.000 0.308 1186 V C -0.990 174.870 176.094 -0.391 0.000 1.048 1186 V CA -0.697 61.550 62.300 -0.088 0.000 0.928 1186 V CB 0.916 32.789 31.823 0.083 0.000 1.004 1186 V HN 0.671 nan 8.190 nan 0.000 0.444 1187 F N 1.416 121.375 119.950 0.016 0.000 2.563 1187 F HA 0.555 5.336 4.527 0.424 0.000 0.316 1187 F C 0.047 175.852 175.800 0.009 0.000 1.076 1187 F CA -0.833 57.179 58.000 0.021 0.000 0.921 1187 F CB 2.009 41.033 39.000 0.041 0.000 1.209 1187 F HN 0.314 nan 8.300 nan 0.000 0.462 1188 K N 4.631 125.157 120.400 0.210 0.000 2.211 1188 K HA 0.676 5.252 4.320 0.426 0.000 0.275 1188 K C -0.943 175.740 176.600 0.138 0.000 1.024 1188 K CA -0.347 56.019 56.287 0.131 0.000 0.887 1188 K CB 0.731 33.286 32.500 0.091 0.000 1.084 1188 K HN 0.760 nan 8.250 nan 0.000 0.463 1189 I N -0.079 120.558 120.570 0.112 0.000 2.957 1189 I HA 0.467 4.892 4.170 0.426 0.000 0.310 1189 I C -0.718 175.450 176.117 0.085 0.000 1.063 1189 I CA -1.255 60.110 61.300 0.109 0.000 1.033 1189 I CB 1.732 39.812 38.000 0.133 0.000 1.230 1189 I HN 0.473 nan 8.210 nan 0.000 0.447 1190 K N 3.869 124.313 120.400 0.072 0.000 2.322 1190 K HA 0.391 4.967 4.320 0.426 0.000 0.283 1190 K C -2.383 174.248 176.600 0.052 0.000 1.042 1190 K CA -1.383 54.936 56.287 0.053 0.000 0.958 1190 K CB 0.657 33.179 32.500 0.037 0.000 0.984 1190 K HN 0.503 nan 8.250 nan 0.000 0.473 1191 P HA 0.158 nan 4.420 nan 0.000 0.293 1191 P C -1.030 176.283 177.300 0.022 0.000 1.300 1191 P CA -0.378 62.745 63.100 0.039 0.000 0.792 1191 P CB 1.172 32.898 31.700 0.043 0.000 0.925 1192 E N 2.791 122.995 120.200 0.008 0.000 2.366 1192 E HA 0.072 4.677 4.350 0.426 0.000 0.266 1192 E C 0.919 177.515 176.600 -0.007 0.000 1.051 1192 E CA -0.374 56.021 56.400 -0.009 0.000 0.884 1192 E CB 1.051 30.731 29.700 -0.034 0.000 1.006 1192 E HN 0.279 nan 8.360 nan 0.000 0.417 1193 K N 1.396 121.789 120.400 -0.012 0.000 2.026 1193 K HA -0.079 4.496 4.320 0.426 0.000 0.208 1193 K C 0.621 177.215 176.600 -0.010 0.000 1.048 1193 K CA 1.300 57.584 56.287 -0.005 0.000 0.929 1193 K CB 0.009 32.502 32.500 -0.011 0.000 0.713 1193 K HN 0.289 nan 8.250 nan 0.000 0.439 1194 R N 0.750 121.211 120.500 -0.065 0.000 2.349 1194 R HA 0.074 4.669 4.340 0.426 0.000 0.299 1194 R C 1.128 177.333 176.300 -0.158 0.000 1.027 1194 R CA -0.342 55.676 56.100 -0.138 0.000 0.958 1194 R CB 0.490 30.641 30.300 -0.249 0.000 1.047 1194 R HN 0.370 nan 8.270 nan 0.000 0.468 1195 W N 3.055 124.290 121.300 -0.109 0.000 2.350 1195 W HA -0.209 4.705 4.660 0.424 0.000 0.289 1195 W C 0.442 176.831 176.519 -0.215 0.000 1.215 1195 W CA 0.703 57.956 57.345 -0.154 0.000 1.236 1195 W CB -0.381 28.995 29.460 -0.139 0.000 1.130 1195 W HN 0.569 nan 8.180 nan 0.000 0.541 1196 Q N 1.138 120.270 119.800 -1.113 0.000 2.124 1196 Q HA -0.167 4.429 4.340 0.426 0.000 0.202 1196 Q C 1.815 177.525 176.000 -0.483 0.000 0.977 1196 Q CA 2.347 57.458 55.803 -1.154 0.000 0.850 1196 Q CB -0.523 27.447 28.738 -1.280 0.000 0.901 1196 Q HN 0.199 nan 8.270 nan 0.000 0.429 1197 D N -0.321 119.880 120.400 -0.331 0.000 2.234 1197 D HA -0.016 4.880 4.640 0.426 0.000 0.205 1197 D C 1.748 177.969 176.300 -0.131 0.000 0.962 1197 D CA 0.581 54.478 54.000 -0.172 0.000 0.855 1197 D CB 0.104 40.829 40.800 -0.125 0.000 0.951 1197 D HN 0.264 nan 8.370 nan 0.000 0.500 1198 I N 0.452 120.946 120.570 -0.126 0.000 2.226 1198 I HA -0.251 4.174 4.170 0.426 0.000 0.245 1198 I C 2.527 178.543 176.117 -0.169 0.000 1.100 1198 I CA 0.808 62.041 61.300 -0.112 0.000 1.374 1198 I CB -0.185 37.764 38.000 -0.084 0.000 1.057 1198 I HN -0.064 nan 8.210 nan 0.000 0.413 1199 S N 0.659 116.276 115.700 -0.139 0.000 2.368 1199 S HA -0.147 4.578 4.470 0.426 0.000 0.224 1199 S C 2.116 176.635 174.600 -0.135 0.000 1.029 1199 S CA 1.313 59.437 58.200 -0.128 0.000 0.988 1199 S CB -0.083 63.110 63.200 -0.011 0.000 0.838 1199 S HN 0.278 nan 8.310 nan 0.000 0.462 1200 M N -0.118 119.424 119.600 -0.097 0.000 2.200 1200 M HA 0.033 4.768 4.480 0.426 0.000 0.265 1200 M C 2.213 178.477 176.300 -0.060 0.000 1.066 1200 M CA 1.056 56.331 55.300 -0.041 0.000 1.127 1200 M CB -0.353 32.250 32.600 0.005 0.000 1.379 1200 M HN 0.356 nan 8.290 nan 0.000 0.420 1201 M N 0.607 120.147 119.600 -0.101 0.000 2.446 1201 M HA -0.106 4.630 4.480 0.426 0.000 0.263 1201 M C 1.837 177.951 176.300 -0.311 0.000 1.066 1201 M CA 1.655 56.862 55.300 -0.155 0.000 1.087 1201 M CB -0.436 32.099 32.600 -0.110 0.000 1.406 1201 M HN 0.057 nan 8.290 nan 0.000 0.459 1202 R N -1.087 119.162 120.500 -0.419 0.000 2.127 1202 R HA -0.164 4.432 4.340 0.426 0.000 0.238 1202 R C 1.938 178.032 176.300 -0.343 0.000 1.134 1202 R CA 1.568 57.255 56.100 -0.688 0.000 0.975 1202 R CB -0.455 29.269 30.300 -0.959 0.000 0.865 1202 R HN 0.386 nan 8.270 nan 0.000 0.447 1203 M N 0.725 120.174 119.600 -0.252 0.000 2.159 1203 M HA -0.175 4.561 4.480 0.426 0.000 0.263 1203 M C 2.157 178.258 176.300 -0.331 0.000 1.063 1203 M CA 1.603 56.792 55.300 -0.185 0.000 1.110 1203 M CB -0.724 31.824 32.600 -0.086 0.000 1.374 1203 M HN 0.088 nan 8.290 nan 0.000 0.411 1204 K N -0.158 119.827 120.400 -0.692 0.000 2.001 1204 K HA -0.112 4.463 4.320 0.426 0.000 0.208 1204 K C 1.851 178.222 176.600 -0.382 0.000 1.048 1204 K CA 1.845 57.599 56.287 -0.888 0.000 0.932 1204 K CB -0.035 31.577 32.500 -1.480 0.000 0.715 1204 K HN 0.211 nan 8.250 nan 0.000 0.437 1205 T N 1.864 116.282 114.554 -0.226 0.000 2.720 1205 T HA -0.128 4.478 4.350 0.426 0.000 0.268 1205 T C 1.878 176.652 174.700 0.124 0.000 1.037 1205 T CA 1.569 63.684 62.100 0.025 0.000 1.144 1205 T CB -0.190 68.822 68.868 0.241 0.000 0.864 1205 T HN 0.203 nan 8.240 nan 0.000 0.444 1206 I N 1.191 121.815 120.570 0.090 0.000 2.163 1206 I HA -0.137 4.288 4.170 0.426 0.000 0.243 1206 I C 2.933 179.023 176.117 -0.045 0.000 1.085 1206 I CA 1.392 62.727 61.300 0.058 0.000 1.347 1206 I CB -0.801 37.240 38.000 0.068 0.000 1.044 1206 I HN 0.324 nan 8.210 nan 0.000 0.408 1207 G N 0.436 109.182 108.800 -0.089 0.000 2.440 1207 G HA2 -0.240 3.975 3.960 0.426 0.000 0.218 1207 G HA3 -0.240 3.975 3.960 0.426 0.000 0.218 1207 G C 1.486 176.297 174.900 -0.148 0.000 1.154 1207 G CA 0.725 45.753 45.100 -0.120 0.000 0.767 1207 G HN 0.448 nan 8.290 nan 0.000 0.552 1208 E N -0.212 119.889 120.200 -0.165 0.000 2.077 1208 E HA -0.129 4.476 4.350 0.426 0.000 0.193 1208 E C 2.258 178.667 176.600 -0.318 0.000 0.989 1208 E CA 0.901 57.166 56.400 -0.226 0.000 0.800 1208 E CB -0.254 29.292 29.700 -0.257 0.000 0.746 1208 E HN 0.507 nan 8.360 nan 0.000 0.452 1209 H N 0.354 119.245 119.070 -0.298 0.000 2.389 1209 H HA -0.026 4.787 4.556 0.427 0.000 0.299 1209 H C 2.292 177.233 175.328 -0.645 0.000 1.081 1209 H CA 0.930 56.684 56.048 -0.489 0.000 1.345 1209 H CB 0.055 29.480 29.762 -0.562 0.000 1.393 1209 H HN 0.179 nan 8.280 nan 0.000 0.520 1210 I N 0.180 120.547 120.570 -0.339 0.000 2.142 1210 I HA -0.243 4.183 4.170 0.426 0.000 0.240 1210 I C 2.502 178.430 176.117 -0.315 0.000 1.078 1210 I CA 0.896 61.993 61.300 -0.339 0.000 1.343 1210 I CB -0.221 37.646 38.000 -0.220 0.000 1.046 1210 I HN 0.007 nan 8.210 nan 0.000 0.405 1211 V N 0.998 120.769 119.914 -0.238 0.000 2.358 1211 V HA -0.271 4.105 4.120 0.426 0.000 0.246 1211 V C 2.682 178.691 176.094 -0.140 0.000 1.047 1211 V CA 1.957 64.148 62.300 -0.182 0.000 1.035 1211 V CB -0.986 30.760 31.823 -0.129 0.000 0.658 1211 V HN 0.489 nan 8.190 nan 0.000 0.452 1212 A N 0.274 123.003 122.820 -0.151 0.000 1.898 1212 A HA -0.199 4.376 4.320 0.426 0.000 0.216 1212 A C 1.927 179.586 177.584 0.124 0.000 1.181 1212 A CA 2.576 54.598 52.037 -0.025 0.000 0.620 1212 A CB -0.377 18.599 19.000 -0.040 0.000 0.819 1212 A HN 0.963 nan 8.150 nan 0.000 0.442 1213 H N -5.287 113.773 119.070 -0.017 0.000 3.337 1213 H HA 0.301 5.112 4.556 0.425 0.000 0.222 1213 H C 1.374 176.706 175.328 0.006 0.000 0.942 1213 H CA 0.159 56.253 56.048 0.077 0.000 1.006 1213 H CB -0.451 29.381 29.762 0.118 0.000 1.252 1213 H HN 0.183 nan 8.280 nan 0.000 0.624 1214 I N 2.344 122.546 120.570 -0.613 0.000 2.335 1214 I HA -0.265 4.161 4.170 0.426 0.000 0.251 1214 I C 2.490 178.490 176.117 -0.195 0.000 1.129 1214 I CA 2.100 63.179 61.300 -0.368 0.000 1.402 1214 I CB -0.370 37.283 38.000 -0.578 0.000 1.069 1214 I HN 0.515 nan 8.210 nan 0.000 0.424 1215 Q N 0.332 119.945 119.800 -0.311 0.000 2.291 1215 Q HA -0.200 4.396 4.340 0.426 0.000 0.206 1215 Q C 1.496 177.307 176.000 -0.316 0.000 0.976 1215 Q CA 1.435 57.033 55.803 -0.341 0.000 0.875 1215 Q CB -0.295 28.166 28.738 -0.461 0.000 0.927 1215 Q HN 0.584 nan 8.270 nan 0.000 0.450 1216 H N -0.009 119.056 119.070 -0.009 0.000 2.575 1216 H HA 0.207 5.019 4.556 0.427 0.000 0.267 1216 H C 0.591 175.949 175.328 0.051 0.000 0.966 1216 H CA 0.687 56.747 56.048 0.020 0.000 1.165 1216 H CB 0.662 30.445 29.762 0.035 0.000 1.433 1216 H HN 0.571 nan 8.280 nan 0.000 0.544 1217 E N 0.589 120.887 120.200 0.164 0.000 2.434 1217 E HA 0.111 4.716 4.350 0.426 0.000 0.207 1217 E C 0.496 177.178 176.600 0.136 0.000 0.929 1217 E CA 0.095 56.604 56.400 0.181 0.000 1.001 1217 E CB 1.384 31.262 29.700 0.297 0.000 1.016 1217 E HN 0.112 nan 8.360 nan 0.000 0.502 1218 V N -1.992 117.980 119.914 0.098 0.000 3.040 1218 V HA 0.350 4.725 4.120 0.426 0.000 0.312 1218 V C -0.243 175.834 176.094 -0.030 0.000 1.115 1218 V CA -0.862 61.480 62.300 0.070 0.000 0.998 1218 V CB 2.280 34.187 31.823 0.141 0.000 1.042 1218 V HN -0.168 nan 8.190 nan 0.000 0.433 1219 D N 0.528 120.890 120.400 -0.062 0.000 2.277 1219 D HA 0.237 5.132 4.640 0.426 0.000 0.209 1219 D C -0.304 175.609 176.300 -0.646 0.000 0.970 1219 D CA 1.574 55.397 54.000 -0.294 0.000 0.874 1219 D CB 0.531 41.219 40.800 -0.186 0.000 0.982 1219 D HN 0.512 nan 8.370 nan 0.000 0.504 1220 F N -0.111 119.812 119.950 -0.044 0.000 2.613 1220 F HA 0.460 5.247 4.527 0.433 0.000 0.310 1220 F C -0.703 175.079 175.800 -0.031 0.000 1.085 1220 F CA -1.173 56.778 58.000 -0.082 0.000 0.945 1220 F CB 2.214 41.129 39.000 -0.141 0.000 1.298 1220 F HN -0.338 nan 8.300 nan 0.000 0.455 1221 L N 1.818 123.098 121.223 0.095 0.000 2.455 1221 L HA 0.715 5.310 4.340 0.426 0.000 0.264 1221 L C -2.123 174.698 176.870 -0.082 0.000 0.968 1221 L CA -0.394 54.498 54.840 0.087 0.000 0.827 1221 L CB 1.681 43.767 42.059 0.046 0.000 1.317 1221 L HN 0.463 nan 8.230 nan 0.000 0.407 1222 F N 2.887 122.925 119.950 0.147 0.000 2.508 1222 F HA 0.644 5.452 4.527 0.469 0.000 0.325 1222 F C -0.385 175.348 175.800 -0.111 0.000 1.090 1222 F CA -0.335 57.687 58.000 0.037 0.000 0.945 1222 F CB 1.935 41.017 39.000 0.136 0.000 1.156 1222 F HN 0.438 nan 8.300 nan 0.000 0.463 1223 C N 4.886 124.091 119.300 -0.158 0.000 2.322 1223 C HA 0.765 5.480 4.460 0.426 0.000 0.324 1223 C C -0.226 174.574 174.990 -0.318 0.000 1.249 1223 C CA -1.042 57.763 59.018 -0.354 0.000 1.453 1223 C CB -0.247 26.983 27.740 -0.849 0.000 2.145 1223 C HN 0.702 nan 8.230 nan 0.000 0.466 1224 M N 1.487 121.003 119.600 -0.139 0.000 2.644 1224 M HA 0.410 5.145 4.480 0.426 0.000 0.304 1224 M C -0.957 175.220 176.300 -0.205 0.000 1.215 1224 M CA -0.486 54.728 55.300 -0.142 0.000 0.871 1224 M CB 1.577 34.143 32.600 -0.057 0.000 1.740 1224 M HN 0.476 nan 8.290 nan 0.000 0.464 1225 D N 0.694 120.962 120.400 -0.220 0.000 2.357 1225 D HA 0.086 4.981 4.640 0.426 0.000 0.242 1225 D C 0.446 176.512 176.300 -0.389 0.000 1.153 1225 D CA -0.027 53.833 54.000 -0.232 0.000 0.918 1225 D CB 1.545 42.209 40.800 -0.228 0.000 1.181 1225 D HN 0.334 nan 8.370 nan 0.000 0.435 1226 V N 1.098 120.820 119.914 -0.321 0.000 3.174 1226 V HA -0.069 4.306 4.120 0.426 0.000 0.254 1226 V C 0.471 176.452 176.094 -0.189 0.000 1.120 1226 V CA 0.717 62.761 62.300 -0.427 0.000 1.114 1226 V CB -0.194 31.547 31.823 -0.137 0.000 0.756 1226 V HN 0.581 nan 8.190 nan 0.000 0.467 1227 D N 2.018 122.265 120.400 -0.254 0.000 2.982 1227 D HA 0.049 4.944 4.640 0.426 0.000 0.238 1227 D C 0.211 176.334 176.300 -0.294 0.000 1.168 1227 D CA -0.051 53.598 54.000 -0.585 0.000 0.947 1227 D CB -0.263 40.091 40.800 -0.743 0.000 1.147 1227 D HN 0.784 nan 8.370 nan 0.000 0.450 1228 Q N -1.836 117.931 119.800 -0.055 0.000 2.630 1228 Q HA 0.625 5.220 4.340 0.426 0.000 0.295 1228 Q C -1.793 174.311 176.000 0.173 0.000 0.944 1228 Q CA -1.193 54.643 55.803 0.056 0.000 0.766 1228 Q CB 1.641 30.378 28.738 -0.002 0.000 1.471 1228 Q HN -0.041 nan 8.270 nan 0.000 0.416 1229 V N 1.055 121.033 119.914 0.106 0.000 2.733 1229 V HA 0.454 4.829 4.120 0.426 0.000 0.306 1229 V C -1.062 175.064 176.094 0.053 0.000 1.084 1229 V CA -0.732 61.639 62.300 0.119 0.000 0.905 1229 V CB 1.651 33.577 31.823 0.172 0.000 1.010 1229 V HN 0.692 nan 8.190 nan 0.000 0.424 1230 F N 3.008 122.974 119.950 0.026 0.000 2.484 1230 F HA 0.291 5.095 4.527 0.462 0.000 0.360 1230 F C 1.469 177.292 175.800 0.039 0.000 1.101 1230 F CA 0.305 58.339 58.000 0.056 0.000 1.251 1230 F CB 0.843 39.898 39.000 0.092 0.000 1.132 1230 F HN 0.486 nan 8.300 nan 0.000 0.570 1231 Q N 0.746 120.572 119.800 0.044 0.000 2.316 1231 Q HA 0.177 4.772 4.340 0.426 0.000 0.235 1231 Q C -0.154 175.585 176.000 -0.436 0.000 0.863 1231 Q CA 0.438 56.195 55.803 -0.077 0.000 0.939 1231 Q CB 1.004 29.779 28.738 0.062 0.000 1.108 1231 Q HN 0.675 nan 8.270 nan 0.000 0.522 1232 D N -0.527 119.518 120.400 -0.591 0.000 2.779 1232 D HA 0.129 5.025 4.640 0.426 0.000 0.331 1232 D C -0.917 175.277 176.300 -0.177 0.000 1.331 1232 D CA -0.494 53.203 54.000 -0.505 0.000 0.866 1232 D CB 1.344 42.056 40.800 -0.146 0.000 1.409 1232 D HN -0.333 nan 8.370 nan 0.000 0.486 1233 K N 1.001 121.447 120.400 0.077 0.000 2.466 1233 K HA 0.058 4.634 4.320 0.426 0.000 0.278 1233 K C -0.259 176.478 176.600 0.229 0.000 1.048 1233 K CA 0.376 56.787 56.287 0.206 0.000 1.088 1233 K CB -0.398 32.206 32.500 0.172 0.000 0.884 1233 K HN 0.318 nan 8.250 nan 0.000 0.478 1234 F N 2.622 122.670 119.950 0.163 0.000 2.453 1234 F HA 0.316 5.106 4.527 0.438 0.000 0.358 1234 F C 0.624 176.422 175.800 -0.004 0.000 1.129 1234 F CA -0.556 57.576 58.000 0.219 0.000 1.200 1234 F CB 0.596 39.882 39.000 0.477 0.000 1.431 1234 F HN 0.568 nan 8.300 nan 0.000 0.503 1235 G N 1.258 110.104 108.800 0.076 0.000 2.702 1235 G HA2 0.289 4.504 3.960 0.426 0.000 0.254 1235 G HA3 0.289 4.504 3.960 0.426 0.000 0.254 1235 G C 0.928 175.695 174.900 -0.220 0.000 1.380 1235 G CA -0.088 44.965 45.100 -0.079 0.000 1.042 1235 G HN 0.531 nan 8.290 nan 0.000 0.557 1236 V N -0.748 119.002 119.914 -0.275 0.000 2.982 1236 V HA -0.115 4.261 4.120 0.426 0.000 0.265 1236 V C 2.182 178.019 176.094 -0.429 0.000 1.122 1236 V CA 2.380 64.426 62.300 -0.423 0.000 1.143 1236 V CB -0.741 30.845 31.823 -0.395 0.000 0.726 1236 V HN 0.736 nan 8.190 nan 0.000 0.507 1237 E N 2.579 122.530 120.200 -0.415 0.000 2.472 1237 E HA -0.177 4.429 4.350 0.426 0.000 0.200 1237 E C 1.747 178.007 176.600 -0.566 0.000 1.046 1237 E CA 1.535 57.599 56.400 -0.560 0.000 0.871 1237 E CB -0.765 28.606 29.700 -0.548 0.000 0.806 1237 E HN 0.837 nan 8.360 nan 0.000 0.533 1238 T N -1.428 112.848 114.554 -0.464 0.000 3.086 1238 T HA 0.272 4.877 4.350 0.426 0.000 0.250 1238 T C 1.060 175.676 174.700 -0.139 0.000 1.074 1238 T CA -0.425 61.465 62.100 -0.351 0.000 0.988 1238 T CB -0.196 68.440 68.868 -0.387 0.000 0.988 1238 T HN 0.004 nan 8.240 nan 0.000 0.530 1239 L N 1.592 122.594 121.223 -0.369 0.000 2.439 1239 L HA 0.648 5.244 4.340 0.426 0.000 0.269 1239 L C 0.955 177.527 176.870 -0.497 0.000 1.179 1239 L CA 0.011 54.480 54.840 -0.618 0.000 0.828 1239 L CB 0.579 41.886 42.059 -1.253 0.000 1.106 1239 L HN 0.499 nan 8.230 nan 0.000 0.467 1240 G N 0.884 109.460 108.800 -0.374 0.000 2.349 1240 G HA2 0.126 4.341 3.960 0.426 0.000 0.294 1240 G HA3 0.126 4.341 3.960 0.426 0.000 0.294 1240 G C -0.108 174.930 174.900 0.230 0.000 1.380 1240 G CA -0.468 44.627 45.100 -0.009 0.000 0.811 1240 G HN 0.432 nan 8.290 nan 0.000 0.519 1241 E N -0.345 119.984 120.200 0.216 0.000 2.038 1241 E HA -0.058 4.547 4.350 0.426 0.000 0.195 1241 E C 1.304 177.987 176.600 0.139 0.000 1.000 1241 E CA 1.961 58.470 56.400 0.182 0.000 0.803 1241 E CB -0.173 29.612 29.700 0.142 0.000 0.750 1241 E HN 0.702 nan 8.360 nan 0.000 0.448 1242 S N -0.336 115.437 115.700 0.123 0.000 2.677 1242 S HA 0.520 5.246 4.470 0.426 0.000 0.283 1242 S C -0.580 174.056 174.600 0.059 0.000 1.159 1242 S CA -0.971 57.316 58.200 0.145 0.000 1.001 1242 S CB 1.988 65.331 63.200 0.239 0.000 1.032 1242 S HN -0.099 nan 8.310 nan 0.000 0.487 1243 V N 2.204 122.151 119.914 0.055 0.000 2.448 1243 V HA 0.889 5.265 4.120 0.426 0.000 0.295 1243 V C 0.357 176.462 176.094 0.019 0.000 1.025 1243 V CA -0.453 61.851 62.300 0.006 0.000 0.859 1243 V CB 1.172 33.031 31.823 0.061 0.000 0.988 1243 V HN 1.214 nan 8.190 nan 0.000 0.431 1244 A N 3.747 126.428 122.820 -0.232 0.000 2.322 1244 A HA 0.904 5.479 4.320 0.426 0.000 0.327 1244 A C -0.728 176.868 177.584 0.021 0.000 1.134 1244 A CA -0.707 51.152 52.037 -0.296 0.000 0.831 1244 A CB 1.847 20.094 19.000 -1.255 0.000 1.288 1244 A HN 0.756 nan 8.150 nan 0.000 0.472 1245 Q N 0.697 120.623 119.800 0.211 0.000 2.331 1245 Q HA 0.600 5.195 4.340 0.426 0.000 0.267 1245 Q C -1.632 174.565 176.000 0.329 0.000 1.006 1245 Q CA -0.195 55.756 55.803 0.248 0.000 0.818 1245 Q CB 1.144 30.061 28.738 0.298 0.000 1.276 1245 Q HN 0.637 nan 8.270 nan 0.000 0.450 1246 L N 3.613 124.956 121.223 0.200 0.000 2.360 1246 L HA 0.249 4.845 4.340 0.426 0.000 0.276 1246 L C 0.504 177.539 176.870 0.274 0.000 1.121 1246 L CA -0.341 54.613 54.840 0.189 0.000 0.845 1246 L CB 0.989 43.086 42.059 0.063 0.000 1.143 1246 L HN 0.593 nan 8.230 nan 0.000 0.452 1247 Q N 1.994 121.983 119.800 0.316 0.000 2.289 1247 Q HA 0.054 4.649 4.340 0.426 0.000 0.273 1247 Q C 0.843 177.054 176.000 0.352 0.000 1.029 1247 Q CA 0.225 56.221 55.803 0.321 0.000 0.896 1247 Q CB 1.667 30.617 28.738 0.354 0.000 1.182 1247 Q HN 0.849 nan 8.270 nan 0.000 0.385 1248 A N 3.990 126.993 122.820 0.305 0.000 1.927 1248 A HA -0.197 4.378 4.320 0.426 0.000 0.220 1248 A C 1.646 179.316 177.584 0.143 0.000 1.185 1248 A CA 2.058 54.207 52.037 0.186 0.000 0.639 1248 A CB -0.641 18.171 19.000 -0.314 0.000 0.820 1248 A HN 0.863 nan 8.150 nan 0.000 0.451 1249 G N -3.655 105.132 108.800 -0.021 0.000 2.813 1249 G HA2 0.086 4.301 3.960 0.426 0.000 0.209 1249 G HA3 0.086 4.301 3.960 0.426 0.000 0.209 1249 G C 0.826 175.472 174.900 -0.423 0.000 1.150 1249 G CA 0.570 45.505 45.100 -0.275 0.000 0.785 1249 G HN 0.662 nan 8.290 nan 0.000 0.535 1250 W N -0.971 120.380 121.300 0.085 0.000 2.534 1250 W HA 0.245 5.153 4.660 0.413 0.000 0.339 1250 W C 1.650 178.280 176.519 0.184 0.000 0.961 1250 W CA -0.909 56.475 57.345 0.065 0.000 1.545 1250 W CB -0.250 29.136 29.460 -0.123 0.000 1.104 1250 W HN 0.276 nan 8.180 nan 0.000 0.538 1251 Y N 0.640 121.147 120.300 0.346 0.000 2.465 1251 Y HA -0.060 4.771 4.550 0.468 0.000 0.289 1251 Y C 1.436 177.577 175.900 0.401 0.000 1.150 1251 Y CA 1.447 59.775 58.100 0.379 0.000 1.293 1251 Y CB -0.473 38.197 38.460 0.350 0.000 0.977 1251 Y HN -0.125 nan 8.280 nan 0.000 0.556 1252 K N 0.537 120.818 120.400 -0.198 0.000 2.358 1252 K HA 0.445 5.020 4.320 0.426 0.000 0.200 1252 K C 0.558 177.191 176.600 0.055 0.000 1.030 1252 K CA 0.215 56.410 56.287 -0.152 0.000 1.097 1252 K CB 0.552 32.807 32.500 -0.409 0.000 0.862 1252 K HN 0.302 nan 8.250 nan 0.000 0.534 1253 A N 1.581 124.540 122.820 0.232 0.000 2.287 1253 A HA 0.133 4.708 4.320 0.426 0.000 0.273 1253 A C -0.679 176.997 177.584 0.153 0.000 1.091 1253 A CA -0.362 51.839 52.037 0.272 0.000 0.817 1253 A CB 0.391 19.724 19.000 0.554 0.000 1.069 1253 A HN 0.198 nan 8.150 nan 0.000 0.492 1254 D N 0.477 120.860 120.400 -0.028 0.000 2.351 1254 D HA 0.359 5.254 4.640 0.426 0.000 0.251 1254 D C -1.718 174.167 176.300 -0.692 0.000 1.137 1254 D CA -1.310 52.558 54.000 -0.221 0.000 0.879 1254 D CB 1.011 41.737 40.800 -0.123 0.000 1.181 1254 D HN 0.129 nan 8.370 nan 0.000 0.448 1255 P HA -0.206 nan 4.420 nan 0.000 0.218 1255 P C 0.492 177.200 177.300 -0.987 0.000 1.154 1255 P CA 1.114 63.186 63.100 -1.712 0.000 0.872 1255 P CB 0.094 31.424 31.700 -0.618 0.000 0.790 1256 N N -0.859 117.608 118.700 -0.389 0.000 2.609 1256 N HA -0.094 4.901 4.740 0.426 0.000 0.190 1256 N C 0.536 176.069 175.510 0.038 0.000 1.157 1256 N CA 0.912 53.953 53.050 -0.014 0.000 0.918 1256 N CB -0.308 38.238 38.487 0.099 0.000 0.978 1256 N HN 0.292 nan 8.380 nan 0.000 0.448 1257 D N -0.518 119.794 120.400 -0.146 0.000 2.407 1257 D HA 0.103 4.998 4.640 0.426 0.000 0.208 1257 D C 0.437 176.675 176.300 -0.104 0.000 1.083 1257 D CA -0.148 53.873 54.000 0.035 0.000 0.844 1257 D CB 0.358 41.267 40.800 0.183 0.000 0.967 1257 D HN 0.150 nan 8.370 nan 0.000 0.506 1258 F N 1.814 121.469 119.950 -0.492 0.000 2.553 1258 F HA -0.030 4.758 4.527 0.436 0.000 0.356 1258 F C 1.788 177.035 175.800 -0.921 0.000 1.142 1258 F CA -0.001 57.362 58.000 -1.062 0.000 1.322 1258 F CB 0.661 38.937 39.000 -1.207 0.000 1.126 1258 F HN -0.186 nan 8.300 nan 0.000 0.599 1259 T N 0.150 114.099 114.554 -1.009 0.000 3.418 1259 T HA 0.183 4.788 4.350 0.426 0.000 0.239 1259 T C -0.166 174.585 174.700 0.085 0.000 0.905 1259 T CA -0.324 61.543 62.100 -0.389 0.000 0.929 1259 T CB -1.206 67.451 68.868 -0.352 0.000 1.121 1259 T HN 0.338 nan 8.240 nan 0.000 0.608 1260 Y N 1.032 121.383 120.300 0.086 0.000 2.385 1260 Y HA 0.225 5.028 4.550 0.422 0.000 0.346 1260 Y C 1.147 177.075 175.900 0.046 0.000 1.270 1260 Y CA -1.257 56.922 58.100 0.132 0.000 1.472 1260 Y CB 0.497 38.963 38.460 0.010 0.000 1.354 1260 Y HN 0.232 nan 8.280 nan 0.000 0.611 1261 E N 1.592 121.901 120.200 0.182 0.000 2.324 1261 E HA 0.040 4.645 4.350 0.426 0.000 0.271 1261 E C -0.102 176.547 176.600 0.082 0.000 1.028 1261 E CA -0.103 56.343 56.400 0.076 0.000 0.890 1261 E CB 0.562 30.254 29.700 -0.013 0.000 1.004 1261 E HN 0.387 nan 8.360 nan 0.000 0.431 1262 R N 3.825 124.386 120.500 0.103 0.000 2.397 1262 R HA 0.203 4.798 4.340 0.426 0.000 0.241 1262 R C -0.080 176.406 176.300 0.311 0.000 0.914 1262 R CA -0.055 56.143 56.100 0.163 0.000 1.071 1262 R CB 0.092 30.419 30.300 0.045 0.000 1.116 1262 R HN 0.398 nan 8.270 nan 0.000 0.524 1263 R N 1.822 122.420 120.500 0.163 0.000 2.234 1263 R HA 0.104 4.699 4.340 0.426 0.000 0.324 1263 R C 1.224 177.378 176.300 -0.243 0.000 1.054 1263 R CA -0.099 55.985 56.100 -0.027 0.000 0.912 1263 R CB 0.911 31.190 30.300 -0.036 0.000 1.030 1263 R HN 0.099 nan 8.270 nan 0.000 0.455 1264 K N 1.473 121.473 120.400 -0.666 0.000 2.442 1264 K HA -0.130 4.446 4.320 0.426 0.000 0.198 1264 K C 0.316 176.691 176.600 -0.375 0.000 1.042 1264 K CA 1.224 56.931 56.287 -0.967 0.000 0.958 1264 K CB 0.233 32.186 32.500 -0.911 0.000 0.766 1264 K HN 0.393 nan 8.250 nan 0.000 0.474 1265 E N 1.326 121.391 120.200 -0.224 0.000 2.347 1265 E HA -0.003 4.602 4.350 0.426 0.000 0.196 1265 E C 0.378 176.929 176.600 -0.082 0.000 1.008 1265 E CA 0.350 56.674 56.400 -0.127 0.000 0.852 1265 E CB 0.263 29.905 29.700 -0.096 0.000 0.783 1265 E HN 0.264 nan 8.360 nan 0.000 0.505 1266 S N -0.606 115.053 115.700 -0.068 0.000 2.554 1266 S HA 0.496 5.222 4.470 0.426 0.000 0.278 1266 S C 1.083 175.690 174.600 0.012 0.000 1.242 1266 S CA -0.100 58.084 58.200 -0.025 0.000 1.051 1266 S CB 1.345 64.522 63.200 -0.039 0.000 0.986 1266 S HN 0.166 nan 8.310 nan 0.000 0.502 1267 A N 3.737 126.576 122.820 0.032 0.000 2.121 1267 A HA 0.232 4.807 4.320 0.426 0.000 0.218 1267 A C 1.893 179.494 177.584 0.028 0.000 1.154 1267 A CA 1.360 53.430 52.037 0.055 0.000 0.679 1267 A CB -0.756 18.304 19.000 0.099 0.000 0.795 1267 A HN 1.143 nan 8.150 nan 0.000 0.458 1268 A N -1.754 121.013 122.820 -0.087 0.000 2.275 1268 A HA 0.312 4.888 4.320 0.426 0.000 0.212 1268 A C 0.617 178.142 177.584 -0.100 0.000 1.201 1268 A CA -0.456 51.465 52.037 -0.194 0.000 0.843 1268 A CB -0.568 18.106 19.000 -0.543 0.000 0.873 1268 A HN 0.502 nan 8.150 nan 0.000 0.492 1269 Y N 0.869 121.083 120.300 -0.143 0.000 2.810 1269 Y HA 0.235 5.041 4.550 0.427 0.000 0.332 1269 Y C -0.271 175.539 175.900 -0.150 0.000 1.243 1269 Y CA 0.141 58.166 58.100 -0.125 0.000 1.537 1269 Y CB -0.023 38.383 38.460 -0.090 0.000 1.265 1269 Y HN 0.225 nan 8.280 nan 0.000 0.572 1270 I N 9.650 129.728 120.570 -0.820 0.000 2.497 1270 I HA 0.259 4.685 4.170 0.426 0.000 0.284 1270 I C -2.348 173.176 176.117 -0.989 0.000 1.060 1270 I CA -2.166 58.642 61.300 -0.820 0.000 1.071 1270 I CB 2.052 39.641 38.000 -0.685 0.000 1.216 1270 I HN 0.508 nan 8.210 nan 0.000 0.442 1271 P HA 0.142 nan 4.420 nan 0.000 0.272 1271 P C -0.568 176.568 177.300 -0.274 0.000 1.230 1271 P CA -0.089 62.685 63.100 -0.544 0.000 0.788 1271 P CB 0.620 32.193 31.700 -0.212 0.000 0.949 1272 F N 0.058 120.000 119.950 -0.015 0.000 2.506 1272 F HA 0.332 5.114 4.527 0.426 0.000 0.351 1272 F C 2.020 177.816 175.800 -0.006 0.000 1.136 1272 F CA 1.898 59.902 58.000 0.006 0.000 1.298 1272 F CB -0.194 38.817 39.000 0.019 0.000 1.145 1272 F HN 0.693 nan 8.300 nan 0.000 0.593 1273 G N 1.055 109.956 108.800 0.169 0.000 2.176 1273 G HA2 -0.208 4.008 3.960 0.426 0.000 0.232 1273 G HA3 -0.208 4.008 3.960 0.426 0.000 0.232 1273 G C -0.222 174.703 174.900 0.042 0.000 0.986 1273 G CA -0.211 44.941 45.100 0.085 0.000 0.643 1273 G HN 0.593 nan 8.290 nan 0.000 0.522 1274 E N -0.839 119.378 120.200 0.029 0.000 2.369 1274 E HA 0.624 5.230 4.350 0.426 0.000 0.270 1274 E C 0.115 176.768 176.600 0.089 0.000 0.909 1274 E CA -0.410 55.997 56.400 0.013 0.000 0.775 1274 E CB 2.325 31.989 29.700 -0.061 0.000 1.270 1274 E HN 1.551 nan 8.360 nan 0.000 0.445 1275 G N 1.390 110.252 108.800 0.104 0.000 2.697 1275 G HA2 -0.093 4.122 3.960 0.426 0.000 0.684 1275 G HA3 -0.093 4.122 3.960 0.426 0.000 0.684 1275 G C -0.619 174.418 174.900 0.229 0.000 1.274 1275 G CA -0.601 44.661 45.100 0.271 0.000 0.806 1275 G HN 0.534 nan 8.290 nan 0.000 0.644 1276 D N -0.097 120.470 120.400 0.279 0.000 2.725 1276 D HA 0.299 5.194 4.640 0.426 0.000 0.269 1276 D C 0.609 176.737 176.300 -0.287 0.000 1.018 1276 D CA 1.281 55.312 54.000 0.051 0.000 0.956 1276 D CB 0.414 41.471 40.800 0.428 0.000 1.141 1276 D HN 0.317 nan 8.370 nan 0.000 0.478 1277 F N -1.150 118.987 119.950 0.311 0.000 2.685 1277 F HA 0.327 5.122 4.527 0.447 0.000 0.315 1277 F C -1.056 174.472 175.800 -0.453 0.000 1.126 1277 F CA -1.309 56.703 58.000 0.020 0.000 0.950 1277 F CB 1.594 40.417 39.000 -0.296 0.000 1.360 1277 F HN -0.299 nan 8.300 nan 0.000 0.469 1278 Y N 1.821 121.650 120.300 -0.785 0.000 2.369 1278 Y HA 0.504 5.306 4.550 0.419 0.000 0.337 1278 Y C -1.232 174.455 175.900 -0.354 0.000 0.961 1278 Y CA -0.959 56.660 58.100 -0.803 0.000 1.186 1278 Y CB 0.307 37.934 38.460 -1.387 0.000 1.139 1278 Y HN 0.408 nan 8.280 nan 0.000 0.494 1279 Y N 4.150 124.297 120.300 -0.255 0.000 2.299 1279 Y HA 0.205 5.000 4.550 0.409 0.000 0.326 1279 Y C 0.351 176.238 175.900 -0.022 0.000 1.164 1279 Y CA -0.474 57.618 58.100 -0.013 0.000 1.234 1279 Y CB 0.612 39.168 38.460 0.160 0.000 1.219 1279 Y HN 0.566 nan 8.280 nan 0.000 0.497 1280 H N 1.469 120.677 119.070 0.230 0.000 2.580 1280 H HA 0.365 5.160 4.556 0.398 0.000 0.322 1280 H C 0.283 175.729 175.328 0.197 0.000 1.082 1280 H CA -0.252 55.906 56.048 0.183 0.000 1.383 1280 H CB 1.296 31.180 29.762 0.203 0.000 1.450 1280 H HN 0.974 nan 8.280 nan 0.000 0.505 1281 A N 4.087 127.081 122.820 0.290 0.000 2.206 1281 A HA 0.036 4.611 4.320 0.426 0.000 0.211 1281 A C 2.072 179.694 177.584 0.064 0.000 1.158 1281 A CA 0.858 53.009 52.037 0.190 0.000 0.761 1281 A CB -0.321 18.781 19.000 0.171 0.000 0.801 1281 A HN 0.792 nan 8.150 nan 0.000 0.473 1282 A N -0.482 122.115 122.820 -0.371 0.000 2.119 1282 A HA 0.384 4.960 4.320 0.426 0.000 0.217 1282 A C 0.701 178.168 177.584 -0.196 0.000 1.153 1282 A CA 0.671 52.430 52.037 -0.464 0.000 0.692 1282 A CB -0.206 18.175 19.000 -1.031 0.000 0.799 1282 A HN 0.443 nan 8.150 nan 0.000 0.458 1283 I N -0.438 120.131 120.570 -0.001 0.000 2.627 1283 I HA 0.458 4.883 4.170 0.426 0.000 0.288 1283 I C -1.331 175.021 176.117 0.391 0.000 1.202 1283 I CA -0.639 60.746 61.300 0.142 0.000 1.050 1283 I CB 2.107 40.205 38.000 0.163 0.000 1.264 1283 I HN 0.281 nan 8.210 nan 0.000 0.429 1284 F N 3.712 123.847 119.950 0.308 0.000 2.678 1284 F HA 0.969 5.747 4.527 0.418 0.000 0.308 1284 F C -0.312 175.637 175.800 0.249 0.000 1.118 1284 F CA -0.549 57.635 58.000 0.306 0.000 0.959 1284 F CB 1.542 40.693 39.000 0.250 0.000 1.305 1284 F HN 0.543 nan 8.300 nan 0.000 0.443 1285 G N -0.341 108.578 108.800 0.199 0.000 2.570 1285 G HA2 0.828 5.044 3.960 0.426 0.000 0.310 1285 G HA3 0.828 5.044 3.960 0.426 0.000 0.310 1285 G C -0.752 174.059 174.900 -0.148 0.000 1.266 1285 G CA -0.244 44.693 45.100 -0.271 0.000 0.825 1285 G HN 2.111 nan 8.290 nan 0.000 0.483 1286 G N -1.759 106.901 108.800 -0.234 0.000 2.339 1286 G HA2 0.561 4.776 3.960 0.426 0.000 0.275 1286 G HA3 0.561 4.776 3.960 0.426 0.000 0.275 1286 G C -0.013 174.920 174.900 0.056 0.000 1.323 1286 G CA 0.866 45.967 45.100 0.001 0.000 0.927 1286 G HN 1.935 nan 8.290 nan 0.000 0.486 1287 T N -0.578 113.992 114.554 0.026 0.000 2.860 1287 T HA 0.522 5.127 4.350 0.426 0.000 0.299 1287 T C -1.334 173.304 174.700 -0.103 0.000 1.045 1287 T CA -0.422 61.589 62.100 -0.149 0.000 1.071 1287 T CB 1.706 70.462 68.868 -0.186 0.000 0.985 1287 T HN 0.202 nan 8.240 nan 0.000 0.537 1288 P HA -0.091 nan 4.420 nan 0.000 0.216 1288 P C 1.631 178.869 177.300 -0.103 0.000 1.150 1288 P CA 1.153 64.180 63.100 -0.120 0.000 0.843 1288 P CB -0.194 31.414 31.700 -0.154 0.000 0.787 1289 T N -0.745 113.751 114.554 -0.097 0.000 2.708 1289 T HA -0.162 4.444 4.350 0.426 0.000 0.266 1289 T C 1.801 176.479 174.700 -0.036 0.000 1.037 1289 T CA 1.179 63.238 62.100 -0.068 0.000 1.146 1289 T CB -0.599 68.235 68.868 -0.057 0.000 0.865 1289 T HN 0.149 nan 8.240 nan 0.000 0.435 1290 Q N 0.528 120.319 119.800 -0.014 0.000 2.079 1290 Q HA 0.014 4.609 4.340 0.426 0.000 0.200 1290 Q C 2.675 178.674 176.000 -0.001 0.000 0.974 1290 Q CA 0.858 56.678 55.803 0.027 0.000 0.840 1290 Q CB -0.869 27.912 28.738 0.071 0.000 0.898 1290 Q HN 0.396 nan 8.270 nan 0.000 0.430 1291 V N 1.406 121.316 119.914 -0.006 0.000 2.407 1291 V HA -0.231 4.144 4.120 0.426 0.000 0.248 1291 V C 2.344 178.408 176.094 -0.049 0.000 1.055 1291 V CA 1.313 63.618 62.300 0.008 0.000 1.049 1291 V CB -0.656 31.181 31.823 0.024 0.000 0.662 1291 V HN 0.216 nan 8.190 nan 0.000 0.455 1292 L N 0.935 122.119 121.223 -0.066 0.000 2.046 1292 L HA -0.169 4.426 4.340 0.426 0.000 0.208 1292 L C 2.122 178.937 176.870 -0.092 0.000 1.077 1292 L CA 2.367 57.157 54.840 -0.082 0.000 0.747 1292 L CB -0.934 41.075 42.059 -0.084 0.000 0.896 1292 L HN 0.393 nan 8.230 nan 0.000 0.432 1293 N N -0.571 118.083 118.700 -0.077 0.000 2.188 1293 N HA -0.153 4.842 4.740 0.426 0.000 0.184 1293 N C 1.799 177.175 175.510 -0.223 0.000 1.018 1293 N CA 1.631 54.648 53.050 -0.056 0.000 0.858 1293 N CB -0.207 38.311 38.487 0.051 0.000 0.989 1293 N HN 0.468 nan 8.380 nan 0.000 0.426 1294 I N -0.063 120.235 120.570 -0.452 0.000 2.099 1294 I HA -0.316 4.109 4.170 0.426 0.000 0.239 1294 I C 2.349 178.066 176.117 -0.667 0.000 1.066 1294 I CA 1.765 62.434 61.300 -1.051 0.000 1.324 1294 I CB -0.830 36.657 38.000 -0.854 0.000 1.037 1294 I HN 0.380 nan 8.210 nan 0.000 0.401 1295 T N -1.527 112.816 114.554 -0.351 0.000 2.746 1295 T HA -0.235 4.370 4.350 0.426 0.000 0.267 1295 T C 1.813 176.433 174.700 -0.134 0.000 1.039 1295 T CA 1.255 63.228 62.100 -0.212 0.000 1.142 1295 T CB -0.494 68.322 68.868 -0.086 0.000 0.866 1295 T HN 0.379 nan 8.240 nan 0.000 0.444 1296 Q N 0.335 120.069 119.800 -0.110 0.000 2.050 1296 Q HA -0.117 4.479 4.340 0.426 0.000 0.202 1296 Q C 2.690 178.680 176.000 -0.016 0.000 0.980 1296 Q CA 1.509 57.295 55.803 -0.029 0.000 0.840 1296 Q CB -0.079 28.641 28.738 -0.030 0.000 0.898 1296 Q HN 0.535 nan 8.270 nan 0.000 0.424 1297 E N -0.006 120.161 120.200 -0.056 0.000 2.077 1297 E HA -0.161 4.444 4.350 0.426 0.000 0.193 1297 E C 2.123 178.695 176.600 -0.047 0.000 0.989 1297 E CA 0.802 57.200 56.400 -0.004 0.000 0.800 1297 E CB -0.427 29.364 29.700 0.151 0.000 0.746 1297 E HN 0.376 nan 8.360 nan 0.000 0.452 1298 C N 0.543 119.762 119.300 -0.134 0.000 2.429 1298 C HA -0.127 4.588 4.460 0.426 0.000 0.277 1298 C C 2.504 177.389 174.990 -0.175 0.000 1.262 1298 C CA 0.390 59.315 59.018 -0.156 0.000 1.733 1298 C CB -1.209 26.389 27.740 -0.237 0.000 2.010 1298 C HN 0.340 nan 8.230 nan 0.000 0.483 1299 F N 1.935 121.740 119.950 -0.242 0.000 2.234 1299 F HA -0.071 4.711 4.527 0.425 0.000 0.299 1299 F C 2.194 177.873 175.800 -0.202 0.000 1.087 1299 F CA 1.472 59.337 58.000 -0.225 0.000 1.340 1299 F CB -0.444 38.458 39.000 -0.164 0.000 1.031 1299 F HN 0.184 nan 8.300 nan 0.000 0.500 1300 K N -0.390 119.892 120.400 -0.196 0.000 2.057 1300 K HA -0.074 4.502 4.320 0.426 0.000 0.206 1300 K C 2.404 178.846 176.600 -0.263 0.000 1.050 1300 K CA 1.177 57.320 56.287 -0.239 0.000 0.935 1300 K CB -0.881 31.558 32.500 -0.102 0.000 0.715 1300 K HN 0.392 nan 8.250 nan 0.000 0.439 1301 G N 1.375 110.038 108.800 -0.227 0.000 2.402 1301 G HA2 -0.213 4.002 3.960 0.426 0.000 0.216 1301 G HA3 -0.213 4.002 3.960 0.426 0.000 0.216 1301 G C 1.508 176.206 174.900 -0.336 0.000 1.162 1301 G CA 0.580 45.583 45.100 -0.161 0.000 0.777 1301 G HN 0.122 nan 8.290 nan 0.000 0.539 1302 I N 0.369 120.521 120.570 -0.696 0.000 2.179 1302 I HA -0.148 4.277 4.170 0.426 0.000 0.242 1302 I C 2.716 178.593 176.117 -0.400 0.000 1.088 1302 I CA 0.759 61.700 61.300 -0.598 0.000 1.357 1302 I CB -0.184 37.513 38.000 -0.506 0.000 1.051 1302 I HN 0.133 nan 8.210 nan 0.000 0.409 1303 L N 0.458 121.351 121.223 -0.550 0.000 2.046 1303 L HA -0.236 4.359 4.340 0.426 0.000 0.208 1303 L C 2.634 179.353 176.870 -0.252 0.000 1.077 1303 L CA 1.423 55.992 54.840 -0.451 0.000 0.747 1303 L CB -0.631 41.088 42.059 -0.567 0.000 0.896 1303 L HN 0.228 nan 8.230 nan 0.000 0.432 1304 K N 0.365 120.639 120.400 -0.209 0.000 2.032 1304 K HA -0.240 4.336 4.320 0.426 0.000 0.209 1304 K C 1.699 178.248 176.600 -0.086 0.000 1.048 1304 K CA 2.095 58.309 56.287 -0.121 0.000 0.927 1304 K CB -0.048 32.400 32.500 -0.087 0.000 0.712 1304 K HN 0.174 nan 8.250 nan 0.000 0.441 1305 D N 0.523 120.885 120.400 -0.062 0.000 2.149 1305 D HA -0.135 4.761 4.640 0.426 0.000 0.198 1305 D C 1.719 177.985 176.300 -0.056 0.000 0.990 1305 D CA 1.194 55.177 54.000 -0.029 0.000 0.839 1305 D CB 0.037 40.860 40.800 0.039 0.000 0.948 1305 D HN 0.277 nan 8.370 nan 0.000 0.460 1306 K N 0.237 120.585 120.400 -0.086 0.000 2.097 1306 K HA -0.080 4.495 4.320 0.426 0.000 0.206 1306 K C 1.829 178.385 176.600 -0.074 0.000 1.049 1306 K CA 0.764 57.001 56.287 -0.084 0.000 0.933 1306 K CB 0.133 32.568 32.500 -0.109 0.000 0.717 1306 K HN -0.023 nan 8.250 nan 0.000 0.442 1307 K N 0.686 121.038 120.400 -0.080 0.000 2.365 1307 K HA -0.021 4.554 4.320 0.426 0.000 0.199 1307 K C 0.997 177.564 176.600 -0.055 0.000 1.045 1307 K CA 0.756 57.003 56.287 -0.067 0.000 0.962 1307 K CB -0.043 32.415 32.500 -0.070 0.000 0.759 1307 K HN 0.155 nan 8.250 nan 0.000 0.469 1308 N N 1.392 120.059 118.700 -0.054 0.000 2.235 1308 N HA -0.060 4.936 4.740 0.426 0.000 0.209 1308 N C -0.606 174.877 175.510 -0.046 0.000 1.122 1308 N CA 0.103 53.124 53.050 -0.048 0.000 0.845 1308 N CB 0.278 38.737 38.487 -0.047 0.000 1.004 1308 N HN 0.110 nan 8.380 nan 0.000 0.499 1309 D N 0.918 121.290 120.400 -0.047 0.000 2.689 1309 D HA -0.207 4.689 4.640 0.426 0.000 0.237 1309 D C -0.728 175.545 176.300 -0.045 0.000 1.148 1309 D CA 0.583 54.556 54.000 -0.045 0.000 0.656 1309 D CB -1.174 39.602 40.800 -0.040 0.000 1.050 1309 D HN 0.431 nan 8.370 nan 0.000 0.426 1310 I N -0.031 120.512 120.570 -0.045 0.000 2.827 1310 I HA 0.428 4.854 4.170 0.426 0.000 0.298 1310 I C -1.261 174.832 176.117 -0.041 0.000 1.235 1310 I CA -0.888 60.384 61.300 -0.046 0.000 1.021 1310 I CB 1.893 39.865 38.000 -0.047 0.000 1.259 1310 I HN 0.074 nan 8.210 nan 0.000 0.427 1311 E N 5.699 125.867 120.200 -0.053 0.000 2.241 1311 E HA 0.637 5.243 4.350 0.426 0.000 0.263 1311 E C -0.814 175.721 176.600 -0.107 0.000 0.882 1311 E CA -0.748 55.624 56.400 -0.047 0.000 0.769 1311 E CB 1.884 31.556 29.700 -0.046 0.000 1.185 1311 E HN 0.748 nan 8.360 nan 0.000 0.415 1312 A N 3.861 126.620 122.820 -0.102 0.000 2.565 1312 A HA -0.096 4.479 4.320 0.426 0.000 0.237 1312 A C 1.171 178.533 177.584 -0.369 0.000 1.053 1312 A CA 0.504 52.420 52.037 -0.202 0.000 0.755 1312 A CB 0.516 19.359 19.000 -0.261 0.000 0.980 1312 A HN 0.987 nan 8.150 nan 0.000 0.506 1313 Q N 1.233 120.827 119.800 -0.344 0.000 2.096 1313 Q HA -0.209 4.387 4.340 0.426 0.000 0.208 1313 Q C 0.212 175.629 176.000 -0.971 0.000 0.993 1313 Q CA 2.316 57.775 55.803 -0.574 0.000 0.862 1313 Q CB -0.074 28.407 28.738 -0.429 0.000 0.915 1313 Q HN 0.882 nan 8.270 nan 0.000 0.416 1314 W N -0.207 120.933 121.300 -0.266 0.000 2.616 1314 W HA 0.224 5.148 4.660 0.439 0.000 0.419 1314 W C 0.019 176.481 176.519 -0.096 0.000 0.835 1314 W CA -0.278 56.977 57.345 -0.149 0.000 2.483 1314 W CB 0.102 29.633 29.460 0.119 0.000 1.289 1314 W HN 0.391 nan 8.180 nan 0.000 0.755 1315 H N -0.508 118.659 119.070 0.161 0.000 1.452 1315 H HA -0.395 4.415 4.556 0.424 0.000 0.090 1315 H C 1.765 177.242 175.328 0.249 0.000 0.964 1315 H CA 1.945 58.083 56.048 0.150 0.000 1.901 1315 H CB -1.085 28.726 29.762 0.082 0.000 2.257 1315 H HN 0.211 nan 8.280 nan 0.000 0.961 1316 D N 0.847 121.457 120.400 0.351 0.000 2.221 1316 D HA -0.182 4.713 4.640 0.426 0.000 0.204 1316 D C 1.729 178.138 176.300 0.181 0.000 0.982 1316 D CA 1.741 55.879 54.000 0.229 0.000 0.857 1316 D CB -0.506 40.356 40.800 0.104 0.000 0.934 1316 D HN 0.722 nan 8.370 nan 0.000 0.475 1317 E N 0.696 121.033 120.200 0.228 0.000 2.106 1317 E HA -0.116 4.489 4.350 0.426 0.000 0.192 1317 E C 1.873 178.548 176.600 0.125 0.000 0.984 1317 E CA 0.801 57.308 56.400 0.178 0.000 0.806 1317 E CB 0.192 30.057 29.700 0.274 0.000 0.750 1317 E HN 0.117 nan 8.360 nan 0.000 0.458 1318 S N -0.030 115.762 115.700 0.153 0.000 2.368 1318 S HA -0.145 4.580 4.470 0.426 0.000 0.225 1318 S C 1.708 176.250 174.600 -0.096 0.000 1.030 1318 S CA 0.868 59.094 58.200 0.043 0.000 0.999 1318 S CB -0.372 62.796 63.200 -0.053 0.000 0.844 1318 S HN 0.437 nan 8.310 nan 0.000 0.459 1319 H N 0.420 119.490 119.070 -0.001 0.000 2.389 1319 H HA 0.031 4.841 4.556 0.424 0.000 0.299 1319 H C 2.227 177.491 175.328 -0.107 0.000 1.081 1319 H CA 1.188 57.203 56.048 -0.054 0.000 1.345 1319 H CB -0.524 29.200 29.762 -0.063 0.000 1.393 1319 H HN 0.224 nan 8.280 nan 0.000 0.520 1320 L N 1.431 122.631 121.223 -0.039 0.000 2.046 1320 L HA -0.129 4.466 4.340 0.426 0.000 0.208 1320 L C 1.891 178.696 176.870 -0.108 0.000 1.077 1320 L CA 1.409 56.109 54.840 -0.234 0.000 0.747 1320 L CB -0.587 41.308 42.059 -0.273 0.000 0.896 1320 L HN 0.127 nan 8.230 nan 0.000 0.432 1321 N N -0.293 118.414 118.700 0.011 0.000 2.244 1321 N HA -0.205 4.791 4.740 0.426 0.000 0.183 1321 N C 1.808 177.316 175.510 -0.004 0.000 1.016 1321 N CA 1.078 54.194 53.050 0.110 0.000 0.866 1321 N CB -0.008 38.484 38.487 0.010 0.000 0.980 1321 N HN 0.251 nan 8.380 nan 0.000 0.430 1322 K N 0.817 121.163 120.400 -0.090 0.000 2.097 1322 K HA -0.128 4.447 4.320 0.426 0.000 0.205 1322 K C 1.970 178.521 176.600 -0.081 0.000 1.050 1322 K CA 0.964 57.173 56.287 -0.130 0.000 0.938 1322 K CB -0.748 31.686 32.500 -0.111 0.000 0.718 1322 K HN 0.180 nan 8.250 nan 0.000 0.442 1323 Y N -0.139 120.052 120.300 -0.182 0.000 2.114 1323 Y HA -0.108 4.696 4.550 0.423 0.000 0.284 1323 Y C 1.634 177.435 175.900 -0.165 0.000 1.143 1323 Y CA 1.966 59.924 58.100 -0.237 0.000 1.135 1323 Y CB -0.398 37.810 38.460 -0.419 0.000 0.980 1323 Y HN 0.088 nan 8.280 nan 0.000 0.499 1324 F N -1.012 118.961 119.950 0.038 0.000 2.451 1324 F HA -0.168 4.616 4.527 0.428 0.000 0.299 1324 F C 2.024 177.762 175.800 -0.103 0.000 1.101 1324 F CA 0.199 58.152 58.000 -0.078 0.000 1.436 1324 F CB -0.033 38.838 39.000 -0.216 0.000 1.074 1324 F HN 0.229 nan 8.300 nan 0.000 0.553 1325 L N 0.142 121.412 121.223 0.078 0.000 2.095 1325 L HA -0.102 4.494 4.340 0.426 0.000 0.204 1325 L C 1.869 178.646 176.870 -0.155 0.000 1.080 1325 L CA 1.714 56.541 54.840 -0.023 0.000 0.759 1325 L CB -0.555 41.444 42.059 -0.101 0.000 0.914 1325 L HN 0.055 nan 8.230 nan 0.000 0.439 1326 L N -0.432 120.661 121.223 -0.216 0.000 2.109 1326 L HA -0.031 4.564 4.340 0.426 0.000 0.207 1326 L C 0.325 176.999 176.870 -0.326 0.000 1.086 1326 L CA 0.593 55.275 54.840 -0.262 0.000 0.760 1326 L CB -0.351 41.539 42.059 -0.282 0.000 0.910 1326 L HN 0.300 nan 8.230 nan 0.000 0.437 1327 N N 1.151 119.591 118.700 -0.434 0.000 2.776 1327 N HA 0.139 5.135 4.740 0.426 0.000 0.245 1327 N C -0.868 174.509 175.510 -0.221 0.000 1.121 1327 N CA -0.355 52.462 53.050 -0.388 0.000 0.852 1327 N CB 1.044 39.143 38.487 -0.647 0.000 1.142 1327 N HN 0.007 nan 8.380 nan 0.000 0.514 1328 K N 2.022 122.200 120.400 -0.370 0.000 2.550 1328 K HA 0.070 4.645 4.320 0.426 0.000 0.280 1328 K C -1.989 174.484 176.600 -0.212 0.000 0.987 1328 K CA -0.811 55.128 56.287 -0.581 0.000 1.048 1328 K CB 0.111 31.715 32.500 -1.492 0.000 0.879 1328 K HN 0.347 nan 8.250 nan 0.000 0.491 1329 P HA 0.046 nan 4.420 nan 0.000 0.274 1329 P C 0.535 177.944 177.300 0.182 0.000 1.231 1329 P CA -0.207 62.844 63.100 -0.082 0.000 0.790 1329 P CB 0.561 31.918 31.700 -0.571 0.000 0.951 1330 T N -1.385 113.247 114.554 0.131 0.000 3.088 1330 T HA 0.056 4.661 4.350 0.426 0.000 0.259 1330 T C 0.559 175.323 174.700 0.107 0.000 1.122 1330 T CA 0.620 62.822 62.100 0.170 0.000 1.095 1330 T CB 0.030 68.979 68.868 0.135 0.000 0.930 1330 T HN 0.490 nan 8.240 nan 0.000 0.508 1331 K N 0.217 120.639 120.400 0.037 0.000 2.557 1331 K HA 0.529 5.104 4.320 0.426 0.000 0.261 1331 K C -2.077 174.469 176.600 -0.089 0.000 0.932 1331 K CA -0.994 55.274 56.287 -0.033 0.000 0.829 1331 K CB 1.692 34.170 32.500 -0.037 0.000 1.358 1331 K HN -0.031 nan 8.250 nan 0.000 0.430 1332 I N 4.634 125.131 120.570 -0.123 0.000 2.569 1332 I HA 0.395 4.820 4.170 0.426 0.000 0.296 1332 I C -0.402 175.597 176.117 -0.196 0.000 1.028 1332 I CA -0.866 60.346 61.300 -0.146 0.000 1.082 1332 I CB 1.624 39.519 38.000 -0.176 0.000 1.264 1332 I HN 0.601 nan 8.210 nan 0.000 0.429 1333 L N 4.147 125.250 121.223 -0.200 0.000 2.309 1333 L HA 0.434 5.029 4.340 0.426 0.000 0.282 1333 L C 0.875 177.573 176.870 -0.287 0.000 1.036 1333 L CA -0.582 54.064 54.840 -0.324 0.000 0.806 1333 L CB 1.683 43.498 42.059 -0.406 0.000 1.220 1333 L HN 0.732 nan 8.230 nan 0.000 0.429 1334 S N 2.014 117.449 115.700 -0.442 0.000 2.596 1334 S HA 0.221 4.946 4.470 0.426 0.000 0.260 1334 S C -1.929 172.403 174.600 -0.447 0.000 1.336 1334 S CA -0.950 56.720 58.200 -0.884 0.000 0.993 1334 S CB 0.754 62.803 63.200 -1.918 0.000 0.923 1334 S HN 0.447 nan 8.310 nan 0.000 0.567 1335 P HA -0.025 nan 4.420 nan 0.000 0.228 1335 P C 0.735 178.022 177.300 -0.021 0.000 1.151 1335 P CA 0.938 63.980 63.100 -0.097 0.000 0.770 1335 P CB -0.084 31.568 31.700 -0.079 0.000 0.786 1336 E N -1.831 118.208 120.200 -0.269 0.000 2.268 1336 E HA -0.168 4.438 4.350 0.426 0.000 0.195 1336 E C 0.811 177.242 176.600 -0.281 0.000 0.995 1336 E CA 0.898 57.121 56.400 -0.296 0.000 0.836 1336 E CB -0.429 29.056 29.700 -0.359 0.000 0.763 1336 E HN 0.451 nan 8.360 nan 0.000 0.491 1337 Y N -1.166 119.051 120.300 -0.139 0.000 2.490 1337 Y HA 0.136 4.653 4.550 -0.055 0.000 0.281 1337 Y C 0.516 176.475 175.900 0.098 0.000 1.174 1337 Y CA -0.110 57.925 58.100 -0.107 0.000 1.295 1337 Y CB 0.798 39.067 38.460 -0.318 0.000 1.062 1337 Y HN -0.011 nan 8.280 nan 0.000 0.522 1338 C N 1.126 120.586 119.300 0.267 0.000 2.818 1338 C HA 0.105 4.821 4.460 0.426 0.000 0.319 1338 C C -0.842 174.423 174.990 0.459 0.000 0.841 1338 C CA -1.174 58.078 59.018 0.390 0.000 1.039 1338 C CB -1.251 26.758 27.740 0.447 0.000 1.580 1338 C HN 0.547 nan 8.230 nan 0.000 0.663 1339 W N 3.330 124.609 121.300 -0.034 0.000 2.365 1339 W HA 0.454 5.324 4.660 0.350 0.000 0.316 1339 W C -0.605 175.450 176.519 -0.772 0.000 1.164 1339 W CA 0.186 57.315 57.345 -0.361 0.000 1.204 1339 W CB 1.157 30.330 29.460 -0.479 0.000 1.213 1339 W HN 0.655 nan 8.180 nan 0.000 0.539 1340 D N 4.477 123.591 120.400 -2.144 0.000 2.443 1340 D HA 0.076 4.972 4.640 0.426 0.000 0.221 1340 D C 0.408 175.823 176.300 -1.475 0.000 1.097 1340 D CA -0.235 52.542 54.000 -2.039 0.000 0.865 1340 D CB 0.104 39.467 40.800 -2.396 0.000 1.034 1340 D HN 0.360 nan 8.370 nan 0.000 0.511 1341 Y N 1.659 121.568 120.300 -0.651 0.000 2.569 1341 Y HA -0.178 4.649 4.550 0.463 0.000 0.293 1341 Y C 1.865 177.670 175.900 -0.158 0.000 1.144 1341 Y CA 0.555 58.531 58.100 -0.206 0.000 1.321 1341 Y CB -0.015 38.444 38.460 -0.000 0.000 0.982 1341 Y HN 0.615 nan 8.280 nan 0.000 0.558 1342 H N 0.119 119.065 119.070 -0.207 0.000 2.521 1342 H HA -0.091 4.718 4.556 0.422 0.000 0.286 1342 H C 1.685 176.921 175.328 -0.153 0.000 1.034 1342 H CA 1.379 57.337 56.048 -0.150 0.000 1.278 1342 H CB -0.243 29.408 29.762 -0.186 0.000 1.386 1342 H HN 0.348 nan 8.280 nan 0.000 0.567 1343 I N -0.526 119.859 120.570 -0.307 0.000 3.059 1343 I HA 0.100 4.525 4.170 0.426 0.000 0.270 1343 I C 1.538 177.656 176.117 0.003 0.000 1.238 1343 I CA 0.495 61.654 61.300 -0.236 0.000 1.478 1343 I CB -0.219 37.588 38.000 -0.321 0.000 1.097 1343 I HN 0.553 nan 8.210 nan 0.000 0.455 1344 G N 1.470 110.343 108.800 0.123 0.000 2.466 1344 G HA2 -0.194 4.021 3.960 0.426 0.000 0.218 1344 G HA3 -0.194 4.021 3.960 0.426 0.000 0.218 1344 G C -0.984 174.207 174.900 0.484 0.000 1.237 1344 G CA -0.467 44.767 45.100 0.223 0.000 0.954 1344 G HN 0.052 nan 8.290 nan 0.000 0.580 1345 L N 2.538 123.937 121.223 0.294 0.000 2.514 1345 L HA 0.585 5.180 4.340 0.426 0.000 0.257 1345 L C -1.562 175.336 176.870 0.046 0.000 1.101 1345 L CA -1.174 53.774 54.840 0.180 0.000 0.911 1345 L CB 1.059 43.209 42.059 0.151 0.000 1.162 1345 L HN 0.735 nan 8.230 nan 0.000 0.477 1346 P HA 0.318 nan 4.420 nan 0.000 0.277 1346 P C 0.633 177.907 177.300 -0.043 0.000 1.271 1346 P CA -0.223 62.888 63.100 0.019 0.000 0.795 1346 P CB 0.992 32.747 31.700 0.092 0.000 1.101 1347 A N 0.576 123.385 122.820 -0.018 0.000 1.948 1347 A HA -0.212 4.364 4.320 0.426 0.000 0.220 1347 A C 1.717 179.270 177.584 -0.052 0.000 1.177 1347 A CA 2.047 54.063 52.037 -0.036 0.000 0.636 1347 A CB -1.137 17.847 19.000 -0.027 0.000 0.815 1347 A HN 0.564 nan 8.150 nan 0.000 0.449 1348 D N -0.133 120.251 120.400 -0.026 0.000 2.219 1348 D HA -0.048 4.848 4.640 0.426 0.000 0.205 1348 D C 0.462 176.762 176.300 -0.000 0.000 0.970 1348 D CA 0.601 54.587 54.000 -0.024 0.000 0.851 1348 D CB -0.171 40.689 40.800 0.099 0.000 0.943 1348 D HN 0.304 nan 8.370 nan 0.000 0.488 1349 I N 2.316 122.787 120.570 -0.165 0.000 2.241 1349 I HA 0.038 4.463 4.170 0.426 0.000 0.294 1349 I C 1.344 177.329 176.117 -0.219 0.000 1.145 1349 I CA -0.179 60.922 61.300 -0.332 0.000 1.261 1349 I CB 0.646 38.109 38.000 -0.895 0.000 1.475 1349 I HN -0.244 nan 8.210 nan 0.000 0.533 1350 K N 3.535 123.874 120.400 -0.103 0.000 2.044 1350 K HA 0.080 4.656 4.320 0.426 0.000 0.204 1350 K C 0.425 176.977 176.600 -0.081 0.000 1.049 1350 K CA 0.893 57.136 56.287 -0.073 0.000 0.945 1350 K CB 0.226 32.709 32.500 -0.029 0.000 0.724 1350 K HN 0.338 nan 8.250 nan 0.000 0.440 1351 L N 0.840 122.004 121.223 -0.100 0.000 2.491 1351 L HA 0.260 4.855 4.340 0.426 0.000 0.267 1351 L C -1.319 175.453 176.870 -0.164 0.000 0.971 1351 L CA -0.543 54.240 54.840 -0.096 0.000 0.857 1351 L CB 1.999 44.024 42.059 -0.057 0.000 1.226 1351 L HN -0.260 nan 8.230 nan 0.000 0.408 1352 V N 5.954 125.789 119.914 -0.131 0.000 2.508 1352 V HA 0.192 4.567 4.120 0.426 0.000 0.281 1352 V C 0.820 176.839 176.094 -0.124 0.000 1.041 1352 V CA -0.099 62.115 62.300 -0.142 0.000 1.016 1352 V CB 0.962 32.755 31.823 -0.050 0.000 0.984 1352 V HN 0.765 nan 8.190 nan 0.000 0.478 1353 K N 3.417 123.701 120.400 -0.194 0.000 2.334 1353 K HA 0.366 4.941 4.320 0.426 0.000 0.195 1353 K C 0.118 176.752 176.600 0.056 0.000 1.045 1353 K CA 0.373 56.593 56.287 -0.112 0.000 1.004 1353 K CB 0.337 32.663 32.500 -0.289 0.000 0.837 1353 K HN 0.643 nan 8.250 nan 0.000 0.510 1354 M N -0.037 119.585 119.600 0.037 0.000 2.413 1354 M HA 0.303 5.039 4.480 0.426 0.000 0.287 1354 M C -1.806 174.541 176.300 0.078 0.000 1.186 1354 M CA -0.362 54.955 55.300 0.028 0.000 0.927 1354 M CB 2.250 34.841 32.600 -0.016 0.000 1.715 1354 M HN 0.017 nan 8.290 nan 0.000 0.478 1355 S N 2.109 117.870 115.700 0.102 0.000 2.542 1355 S HA 0.811 5.537 4.470 0.426 0.000 0.293 1355 S C -1.527 173.233 174.600 0.266 0.000 1.089 1355 S CA -0.793 57.479 58.200 0.120 0.000 0.961 1355 S CB 0.868 64.147 63.200 0.132 0.000 1.062 1355 S HN 0.683 nan 8.310 nan 0.000 0.483 1356 W N 1.633 122.905 121.300 -0.047 0.000 2.150 1356 W HA 0.393 5.269 4.660 0.360 0.000 0.341 1356 W C 0.814 177.320 176.519 -0.021 0.000 1.276 1356 W CA -0.875 56.445 57.345 -0.041 0.000 1.238 1356 W CB 0.023 29.446 29.460 -0.061 0.000 1.128 1356 W HN 0.573 nan 8.180 nan 0.000 0.581 1357 Q N 1.039 120.932 119.800 0.155 0.000 2.259 1357 Q HA 0.223 4.818 4.340 0.426 0.000 0.246 1357 Q C 0.104 176.155 176.000 0.085 0.000 0.920 1357 Q CA -0.183 55.672 55.803 0.087 0.000 0.895 1357 Q CB 1.041 29.732 28.738 -0.079 0.000 1.220 1357 Q HN 0.325 nan 8.270 nan 0.000 0.439 1358 T N 3.005 117.614 114.554 0.092 0.000 2.940 1358 T HA 0.056 4.661 4.350 0.426 0.000 0.309 1358 T C 0.316 174.995 174.700 -0.034 0.000 1.056 1358 T CA -0.288 61.831 62.100 0.033 0.000 1.137 1358 T CB 0.365 69.249 68.868 0.027 0.000 0.976 1358 T HN 0.089 nan 8.240 nan 0.000 0.547 1359 K N 3.185 123.494 120.400 -0.152 0.000 2.350 1359 K HA 0.163 4.739 4.320 0.426 0.000 0.279 1359 K C 0.483 176.895 176.600 -0.313 0.000 1.027 1359 K CA 0.127 56.191 56.287 -0.371 0.000 0.969 1359 K CB 0.524 32.584 32.500 -0.732 0.000 0.954 1359 K HN 0.679 nan 8.250 nan 0.000 0.474 1360 E N 2.325 122.364 120.200 -0.269 0.000 4.017 1360 E HA 0.084 4.690 4.350 0.426 0.000 0.205 1360 E C 0.260 176.812 176.600 -0.080 0.000 1.054 1360 E CA -0.063 56.257 56.400 -0.134 0.000 1.398 1360 E CB 0.177 29.857 29.700 -0.033 0.000 1.164 1360 E HN 0.532 nan 8.360 nan 0.000 0.445 1361 Y N 0.412 120.646 120.300 -0.110 0.000 2.151 1361 Y HA -0.321 4.482 4.550 0.423 0.000 0.284 1361 Y C 2.489 178.320 175.900 -0.116 0.000 1.166 1361 Y CA 1.052 59.062 58.100 -0.151 0.000 1.163 1361 Y CB -0.139 38.221 38.460 -0.167 0.000 0.974 1361 Y HN 0.285 nan 8.280 nan 0.000 0.511 1362 N N 0.271 119.020 118.700 0.082 0.000 2.192 1362 N HA -0.163 4.832 4.740 0.426 0.000 0.188 1362 N C 1.319 176.836 175.510 0.011 0.000 1.013 1362 N CA 1.482 54.557 53.050 0.042 0.000 0.863 1362 N CB -0.212 38.293 38.487 0.029 0.000 0.990 1362 N HN 0.104 nan 8.380 nan 0.000 0.430 1363 V N -0.665 119.233 119.914 -0.026 0.000 2.581 1363 V HA -0.019 4.356 4.120 0.426 0.000 0.240 1363 V C 2.062 178.077 176.094 -0.131 0.000 1.054 1363 V CA 1.124 63.385 62.300 -0.065 0.000 1.076 1363 V CB 0.089 31.869 31.823 -0.071 0.000 0.748 1363 V HN 0.376 nan 8.190 nan 0.000 0.474 1364 V N -1.547 118.238 119.914 -0.214 0.000 3.129 1364 V HA 0.199 4.575 4.120 0.426 0.000 0.259 1364 V C 1.062 177.186 176.094 0.049 0.000 1.116 1364 V CA 0.530 62.695 62.300 -0.224 0.000 1.127 1364 V CB -0.634 30.853 31.823 -0.559 0.000 0.742 1364 V HN 0.368 nan 8.190 nan 0.000 0.474 1365 R N 0.293 120.814 120.500 0.035 0.000 2.787 1365 R HA 0.509 5.105 4.340 0.426 0.000 0.271 1365 R C -0.114 176.222 176.300 0.061 0.000 0.993 1365 R CA -0.269 55.856 56.100 0.042 0.000 0.993 1365 R CB 1.105 31.277 30.300 -0.213 0.000 1.155 1365 R HN 0.142 nan 8.270 nan 0.000 0.486 1366 N N -0.038 118.733 118.700 0.118 0.000 2.181 1366 N HA 0.019 5.015 4.740 0.426 0.000 0.207 1366 N C -1.022 174.566 175.510 0.131 0.000 1.182 1366 N CA -0.031 53.084 53.050 0.108 0.000 0.893 1366 N CB 0.463 39.007 38.487 0.095 0.000 1.032 1366 N HN 0.547 nan 8.380 nan 0.000 0.513 1367 N N -0.804 118.026 118.700 0.218 0.000 2.405 1367 N HA 0.292 5.287 4.740 0.426 0.000 0.285 1367 N C -0.537 175.161 175.510 0.312 0.000 1.262 1367 N CA -0.534 52.643 53.050 0.211 0.000 0.773 1367 N CB 1.647 40.227 38.487 0.155 0.000 1.490 1367 N HN -0.344 nan 8.380 nan 0.000 0.486 1368 V N 0.000 120.045 119.914 0.218 0.000 2.409 1368 V HA 0.000 4.375 4.120 0.426 0.000 0.244 1368 V CA 0.000 62.447 62.300 0.244 0.000 1.235 1368 V CB 0.000 31.902 31.823 0.132 0.000 1.184 1368 V HN 0.000 nan 8.190 nan 0.000 0.556