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 1y1t_1_A DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNAET MKQTESHAVK IVVEAARRLL 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 1004 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.503 174.600 -0.161 0.000 1.055 1004 S CA 0.000 58.135 58.200 -0.108 0.000 1.107 1004 S CB 0.000 63.132 63.200 -0.114 0.000 0.593 1005 D N 0.227 120.538 120.400 -0.149 0.000 2.369 1005 D HA 0.312 4.952 4.640 0.000 0.000 0.211 1005 D C 0.847 176.994 176.300 -0.254 0.000 1.077 1005 D CA 0.231 54.120 54.000 -0.186 0.000 0.842 1005 D CB 0.326 41.059 40.800 -0.111 0.000 0.947 1005 D HN 0.839 nan 8.370 nan 0.000 0.509 1006 V N -2.809 116.956 119.914 -0.248 0.000 2.735 1006 V HA 0.455 4.575 4.120 0.000 0.000 0.310 1006 V C 0.277 176.207 176.094 -0.274 0.000 1.061 1006 V CA -1.109 61.062 62.300 -0.217 0.000 0.913 1006 V CB 1.395 33.187 31.823 -0.051 0.000 1.005 1006 V HN -0.140 nan 8.190 nan 0.000 0.428 1007 F N 0.875 120.782 119.950 -0.072 0.000 2.604 1007 F HA 0.111 4.638 4.527 0.000 0.000 0.298 1007 F C 1.777 177.334 175.800 -0.404 0.000 1.131 1007 F CA 1.773 59.645 58.000 -0.214 0.000 1.457 1007 F CB -0.390 38.466 39.000 -0.240 0.000 1.095 1007 F HN 0.741 nan 8.300 nan 0.000 0.574 1008 H N -2.200 116.910 119.070 0.067 0.000 2.573 1008 H HA 0.241 4.797 4.556 0.000 0.000 0.236 1008 H C 1.892 177.222 175.328 0.003 0.000 0.907 1008 H CA 0.190 56.256 56.048 0.031 0.000 1.058 1008 H CB -0.080 29.672 29.762 -0.016 0.000 1.417 1008 H HN -0.017 nan 8.280 nan 0.000 0.425 1009 L N 0.067 121.317 121.223 0.044 0.000 2.291 1009 L HA 0.127 4.467 4.340 0.000 0.000 0.214 1009 L C 1.096 178.091 176.870 0.208 0.000 1.120 1009 L CA 0.841 55.739 54.840 0.097 0.000 0.799 1009 L CB -0.368 41.691 42.059 0.000 0.000 0.925 1009 L HN 0.554 nan 8.230 nan 0.000 0.446 1010 G N 1.300 110.107 108.800 0.011 0.000 2.272 1010 G HA2 -0.266 3.694 3.960 0.000 0.000 0.280 1010 G HA3 -0.266 3.694 3.960 0.000 0.000 0.280 1010 G C -0.180 174.768 174.900 0.079 0.000 1.067 1010 G CA 0.071 45.143 45.100 -0.047 0.000 0.902 1010 G HN 0.250 nan 8.290 nan 0.000 0.500 1011 L N -0.049 121.188 121.223 0.024 0.000 2.341 1011 L HA 0.809 5.149 4.340 0.000 0.000 0.267 1011 L C 0.830 177.687 176.870 -0.023 0.000 1.009 1011 L CA -0.619 54.231 54.840 0.016 0.000 0.819 1011 L CB 2.341 44.415 42.059 0.025 0.000 1.323 1011 L HN 0.353 nan 8.230 nan 0.000 0.425 1012 T N -3.017 111.524 114.554 -0.023 0.000 2.945 1012 T HA 0.276 4.626 4.350 0.000 0.000 0.286 1012 T C 0.635 175.319 174.700 -0.026 0.000 1.025 1012 T CA -0.803 61.277 62.100 -0.035 0.000 1.039 1012 T CB 2.082 70.930 68.868 -0.033 0.000 1.068 1012 T HN 0.645 nan 8.240 nan 0.000 0.497 1013 K N 0.580 120.963 120.400 -0.028 0.000 2.147 1013 K HA -0.146 4.174 4.320 0.000 0.000 0.205 1013 K C 2.099 178.687 176.600 -0.019 0.000 1.049 1013 K CA 1.065 57.340 56.287 -0.021 0.000 0.936 1013 K CB -0.173 32.316 32.500 -0.020 0.000 0.722 1013 K HN 0.691 nan 8.250 nan 0.000 0.446 1014 N N 0.927 119.614 118.700 -0.021 0.000 2.223 1014 N HA -0.164 4.576 4.740 0.000 0.000 0.185 1014 N C 0.770 176.268 175.510 -0.020 0.000 1.016 1014 N CA 1.282 54.320 53.050 -0.020 0.000 0.863 1014 N CB -0.016 38.459 38.487 -0.021 0.000 0.983 1014 N HN 0.203 nan 8.380 nan 0.000 0.429 1015 D N 0.815 121.202 120.400 -0.020 0.000 2.149 1015 D HA -0.134 4.507 4.640 0.000 0.000 0.198 1015 D C 1.770 178.059 176.300 -0.018 0.000 0.990 1015 D CA 0.657 54.644 54.000 -0.021 0.000 0.839 1015 D CB -0.201 40.587 40.800 -0.019 0.000 0.948 1015 D HN 0.260 nan 8.370 nan 0.000 0.460 1016 L N 0.464 121.678 121.223 -0.015 0.000 2.465 1016 L HA -0.015 4.325 4.340 0.000 0.000 0.224 1016 L C 0.763 177.624 176.870 -0.015 0.000 1.145 1016 L CA 0.615 55.446 54.840 -0.014 0.000 0.834 1016 L CB -0.387 41.661 42.059 -0.018 0.000 0.944 1016 L HN -0.015 nan 8.230 nan 0.000 0.451 1017 Q N -0.264 119.527 119.800 -0.015 0.000 2.475 1017 Q HA -0.269 4.071 4.340 0.000 0.000 0.280 1017 Q C 1.238 177.230 176.000 -0.015 0.000 1.234 1017 Q CA 0.902 56.697 55.803 -0.014 0.000 0.873 1017 Q CB -2.252 26.480 28.738 -0.011 0.000 1.256 1017 Q HN 0.672 nan 8.270 nan 0.000 0.475 1018 G N -1.646 107.144 108.800 -0.017 0.000 2.148 1018 G HA2 -0.276 3.684 3.960 0.000 0.000 0.254 1018 G HA3 -0.276 3.684 3.960 0.000 0.000 0.254 1018 G C 0.374 175.259 174.900 -0.025 0.000 0.981 1018 G CA 0.582 45.671 45.100 -0.018 0.000 0.670 1018 G HN 1.212 nan 8.290 nan 0.000 0.528 1019 A N -0.601 122.202 122.820 -0.029 0.000 2.531 1019 A HA 0.571 4.891 4.320 0.000 0.000 0.236 1019 A C 1.030 178.577 177.584 -0.061 0.000 1.062 1019 A CA 1.330 53.343 52.037 -0.041 0.000 0.760 1019 A CB 0.231 19.207 19.000 -0.040 0.000 0.995 1019 A HN 0.618 nan 8.150 nan 0.000 0.501 1020 Q N 0.461 120.216 119.800 -0.075 0.000 2.140 1020 Q HA 0.351 4.691 4.340 0.000 0.000 0.227 1020 Q C -0.648 175.259 176.000 -0.155 0.000 0.798 1020 Q CA -0.011 55.733 55.803 -0.098 0.000 0.987 1020 Q CB 0.787 29.488 28.738 -0.062 0.000 1.161 1020 Q HN 0.701 nan 8.270 nan 0.000 0.480 1021 L N 0.557 121.687 121.223 -0.154 0.000 2.408 1021 L HA 0.866 5.206 4.340 0.000 0.000 0.268 1021 L C -1.824 174.927 176.870 -0.198 0.000 0.986 1021 L CA -0.681 54.046 54.840 -0.188 0.000 0.820 1021 L CB 1.776 43.771 42.059 -0.106 0.000 1.303 1021 L HN -0.054 nan 8.230 nan 0.000 0.411 1022 A N 5.535 128.188 122.820 -0.279 0.000 2.393 1022 A HA 0.718 5.038 4.320 0.000 0.000 0.306 1022 A C -1.148 176.393 177.584 -0.072 0.000 1.050 1022 A CA -0.525 51.403 52.037 -0.181 0.000 0.724 1022 A CB 1.272 20.122 19.000 -0.250 0.000 1.248 1022 A HN 0.659 nan 8.150 nan 0.000 0.424 1023 I N 2.637 123.203 120.570 -0.006 0.000 2.321 1023 I HA 0.365 4.535 4.170 0.000 0.000 0.291 1023 I C -0.252 175.905 176.117 0.067 0.000 0.998 1023 I CA -0.727 60.590 61.300 0.029 0.000 1.227 1023 I CB 1.775 39.783 38.000 0.013 0.000 1.368 1023 I HN 0.465 nan 8.210 nan 0.000 0.466 1024 V N 5.861 125.835 119.914 0.100 0.000 2.250 1024 V HA 0.497 4.617 4.120 0.000 0.000 0.268 1024 V C -2.490 173.655 176.094 0.085 0.000 1.043 1024 V CA -1.848 60.523 62.300 0.120 0.000 0.814 1024 V CB 0.291 32.225 31.823 0.186 0.000 1.072 1024 V HN 0.470 nan 8.190 nan 0.000 0.451 1025 P HA 0.333 nan 4.420 nan 0.000 0.278 1025 P C 0.887 178.217 177.300 0.051 0.000 1.266 1025 P CA 0.119 63.244 63.100 0.042 0.000 0.807 1025 P CB 2.029 33.739 31.700 0.018 0.000 1.094 1026 G N -0.291 108.529 108.800 0.033 0.000 2.426 1026 G HA2 -0.059 3.901 3.960 0.000 0.000 0.214 1026 G HA3 -0.059 3.901 3.960 0.000 0.000 0.214 1026 G C 0.272 175.180 174.900 0.013 0.000 1.156 1026 G CA 0.434 45.552 45.100 0.030 0.000 0.802 1026 G HN 0.499 nan 8.290 nan 0.000 0.534 1027 D N 0.427 120.828 120.400 0.002 0.000 2.274 1027 D HA 0.253 4.893 4.640 0.000 0.000 0.239 1027 D C -1.104 175.193 176.300 -0.005 0.000 1.104 1027 D CA -2.479 51.513 54.000 -0.013 0.000 0.840 1027 D CB 2.249 43.035 40.800 -0.022 0.000 1.100 1027 D HN -0.004 nan 8.370 nan 0.000 0.477 1028 P HA -0.153 nan 4.420 nan 0.000 0.221 1028 P C 0.886 178.187 177.300 0.001 0.000 1.145 1028 P CA 0.819 63.934 63.100 0.023 0.000 0.795 1028 P CB 0.528 32.245 31.700 0.027 0.000 0.775 1029 E N -0.348 119.841 120.200 -0.018 0.000 2.268 1029 E HA -0.147 4.203 4.350 0.000 0.000 0.195 1029 E C 2.131 178.690 176.600 -0.069 0.000 0.995 1029 E CA 0.549 56.928 56.400 -0.035 0.000 0.836 1029 E CB -0.098 29.582 29.700 -0.033 0.000 0.763 1029 E HN 0.243 nan 8.360 nan 0.000 0.491 1030 R N 0.280 120.740 120.500 -0.066 0.000 2.280 1030 R HA 0.016 4.356 4.340 0.000 0.000 0.195 1030 R C 2.001 178.222 176.300 -0.132 0.000 0.935 1030 R CA 0.058 56.106 56.100 -0.088 0.000 1.033 1030 R CB 0.347 30.614 30.300 -0.055 0.000 0.964 1030 R HN -0.062 nan 8.270 nan 0.000 0.489 1031 V N 1.175 121.006 119.914 -0.138 0.000 2.233 1031 V HA -0.285 3.835 4.120 0.000 0.000 0.247 1031 V C 2.219 178.022 176.094 -0.485 0.000 1.050 1031 V CA 2.310 64.490 62.300 -0.200 0.000 1.010 1031 V CB -0.534 31.240 31.823 -0.081 0.000 0.637 1031 V HN 0.460 nan 8.190 nan 0.000 0.444 1032 E N 0.215 119.952 120.200 -0.772 0.000 2.085 1032 E HA -0.291 4.059 4.350 0.000 0.000 0.194 1032 E C 2.265 178.483 176.600 -0.635 0.000 0.994 1032 E CA 1.654 57.324 56.400 -1.217 0.000 0.801 1032 E CB -0.070 28.996 29.700 -1.056 0.000 0.743 1032 E HN 0.611 nan 8.360 nan 0.000 0.453 1033 K N 0.159 120.334 120.400 -0.376 0.000 2.044 1033 K HA -0.176 4.144 4.320 0.000 0.000 0.210 1033 K C 2.210 178.696 176.600 -0.190 0.000 1.049 1033 K CA 1.793 57.942 56.287 -0.229 0.000 0.927 1033 K CB -0.210 32.195 32.500 -0.158 0.000 0.713 1033 K HN 0.251 nan 8.250 nan 0.000 0.443 1034 I N 0.755 121.215 120.570 -0.185 0.000 2.286 1034 I HA -0.223 3.947 4.170 0.000 0.000 0.245 1034 I C 2.511 178.558 176.117 -0.118 0.000 1.104 1034 I CA 0.948 62.176 61.300 -0.121 0.000 1.397 1034 I CB -0.374 37.572 38.000 -0.089 0.000 1.072 1034 I HN 0.152 nan 8.210 nan 0.000 0.417 1035 A N 0.825 123.537 122.820 -0.180 0.000 1.972 1035 A HA -0.125 4.196 4.320 0.000 0.000 0.219 1035 A C 2.499 180.038 177.584 -0.075 0.000 1.169 1035 A CA 1.692 53.668 52.037 -0.101 0.000 0.635 1035 A CB -0.710 18.230 19.000 -0.100 0.000 0.810 1035 A HN 0.429 nan 8.150 nan 0.000 0.446 1036 A N -0.685 122.047 122.820 -0.147 0.000 2.067 1036 A HA 0.035 4.355 4.320 0.000 0.000 0.219 1036 A C 1.955 179.511 177.584 -0.047 0.000 1.158 1036 A CA 1.143 53.129 52.037 -0.086 0.000 0.661 1036 A CB -0.388 18.539 19.000 -0.121 0.000 0.801 1036 A HN 0.422 nan 8.150 nan 0.000 0.452 1037 L N -1.105 120.086 121.223 -0.053 0.000 2.275 1037 L HA 0.009 4.349 4.340 0.000 0.000 0.215 1037 L C 1.092 177.953 176.870 -0.015 0.000 1.119 1037 L CA 1.090 55.911 54.840 -0.032 0.000 0.790 1037 L CB -0.612 41.427 42.059 -0.034 0.000 0.919 1037 L HN 0.488 nan 8.230 nan 0.000 0.443 1038 M N -1.379 118.216 119.600 -0.008 0.000 2.823 1038 M HA 0.242 4.722 4.480 0.000 0.000 0.282 1038 M C -0.311 176.000 176.300 0.017 0.000 1.177 1038 M CA -0.860 54.443 55.300 0.006 0.000 0.871 1038 M CB 0.721 33.327 32.600 0.010 0.000 1.595 1038 M HN -0.162 nan 8.290 nan 0.000 0.524 1039 D N 1.461 121.873 120.400 0.020 0.000 2.304 1039 D HA 0.120 4.760 4.640 0.000 0.000 0.247 1039 D C -0.282 176.042 176.300 0.039 0.000 1.089 1039 D CA -0.032 53.983 54.000 0.025 0.000 0.910 1039 D CB 0.633 41.443 40.800 0.017 0.000 1.199 1039 D HN 0.363 nan 8.370 nan 0.000 0.426 1040 K N 0.306 120.732 120.400 0.042 0.000 3.490 1040 K HA -0.126 4.194 4.320 0.000 0.000 0.273 1040 K C -2.344 174.306 176.600 0.083 0.000 0.916 1040 K CA 0.263 56.581 56.287 0.051 0.000 0.718 1040 K CB -1.576 30.943 32.500 0.032 0.000 1.477 1040 K HN 0.462 nan 8.250 nan 0.000 0.452 1041 P HA 0.229 nan 4.420 nan 0.000 0.276 1041 P C -0.295 177.170 177.300 0.275 0.000 1.230 1041 P CA -0.264 62.982 63.100 0.243 0.000 0.776 1041 P CB 1.152 33.008 31.700 0.260 0.000 0.888 1042 V N 3.292 123.333 119.914 0.211 0.000 2.733 1042 V HA 0.285 4.405 4.120 0.000 0.000 0.306 1042 V C 0.271 176.026 176.094 -0.564 0.000 1.084 1042 V CA -0.960 61.263 62.300 -0.128 0.000 0.905 1042 V CB 2.127 33.887 31.823 -0.104 0.000 1.010 1042 V HN 0.495 nan 8.190 nan 0.000 0.424 1043 K N 3.493 123.096 120.400 -1.327 0.000 2.378 1043 K HA 0.362 4.682 4.320 0.000 0.000 0.288 1043 K C 0.366 176.537 176.600 -0.716 0.000 1.057 1043 K CA -0.195 55.059 56.287 -1.722 0.000 0.971 1043 K CB 0.574 32.109 32.500 -1.608 0.000 0.975 1043 K HN 0.672 nan 8.250 nan 0.000 0.475 1044 L N 3.017 123.953 121.223 -0.479 0.000 2.071 1044 L HA 0.161 4.501 4.340 0.000 0.000 0.201 1044 L C 0.852 177.615 176.870 -0.179 0.000 1.076 1044 L CA 0.689 55.394 54.840 -0.225 0.000 0.755 1044 L CB -0.098 41.900 42.059 -0.101 0.000 0.915 1044 L HN 0.754 nan 8.230 nan 0.000 0.445 1045 A N -1.514 121.211 122.820 -0.158 0.000 2.581 1045 A HA 0.638 4.959 4.320 0.000 0.000 0.290 1045 A C -1.083 176.395 177.584 -0.177 0.000 1.119 1045 A CA -0.261 51.677 52.037 -0.164 0.000 0.670 1045 A CB 1.777 20.759 19.000 -0.031 0.000 1.280 1045 A HN -0.120 nan 8.150 nan 0.000 0.425 1046 S N -0.100 115.371 115.700 -0.382 0.000 2.446 1046 S HA 0.541 5.011 4.470 0.000 0.000 0.230 1046 S C -1.910 172.448 174.600 -0.403 0.000 1.051 1046 S CA -0.292 57.770 58.200 -0.230 0.000 1.113 1046 S CB -0.085 63.050 63.200 -0.107 0.000 1.184 1046 S HN 0.763 nan 8.310 nan 0.000 0.435 1047 H N 2.573 121.729 119.070 0.143 0.000 2.800 1047 H HA 0.706 5.262 4.556 0.000 0.000 0.322 1047 H C 0.422 175.830 175.328 0.133 0.000 0.979 1047 H CA -0.616 55.519 56.048 0.145 0.000 1.277 1047 H CB 1.334 31.210 29.762 0.189 0.000 1.484 1047 H HN 0.687 nan 8.280 nan 0.000 0.512 1048 R N 0.932 121.513 120.500 0.134 0.000 3.895 1048 R HA -0.247 4.093 4.340 0.000 0.000 0.431 1048 R C 0.628 176.861 176.300 -0.110 0.000 0.241 1048 R CA 1.571 57.669 56.100 -0.003 0.000 1.369 1048 R CB -0.820 29.463 30.300 -0.029 0.000 1.017 1048 R HN 0.662 nan 8.270 nan 0.000 0.556 1049 E N -0.085 119.913 120.200 -0.337 0.000 2.463 1049 E HA 0.236 4.586 4.350 0.000 0.000 0.191 1049 E C -0.456 175.963 176.600 -0.302 0.000 1.083 1049 E CA 0.329 56.529 56.400 -0.333 0.000 0.872 1049 E CB -0.036 29.430 29.700 -0.390 0.000 0.966 1049 E HN 0.290 nan 8.360 nan 0.000 0.491 1050 F N 0.368 120.374 119.950 0.093 0.000 2.329 1050 F HA 0.281 4.808 4.527 0.000 0.000 0.362 1050 F C 0.306 176.166 175.800 0.101 0.000 1.113 1050 F CA -0.630 57.435 58.000 0.108 0.000 1.212 1050 F CB 0.960 40.047 39.000 0.145 0.000 1.509 1050 F HN -0.354 nan 8.300 nan 0.000 0.546 1051 T N 1.763 116.462 114.554 0.243 0.000 2.767 1051 T HA 0.411 4.761 4.350 0.000 0.000 0.284 1051 T C -0.184 174.675 174.700 0.265 0.000 0.973 1051 T CA -0.681 61.545 62.100 0.210 0.000 0.996 1051 T CB 1.103 70.089 68.868 0.197 0.000 0.927 1051 T HN 0.493 nan 8.240 nan 0.000 0.456 1052 S N 2.388 118.231 115.700 0.238 0.000 2.526 1052 S HA 0.802 5.272 4.470 0.000 0.000 0.293 1052 S C -1.580 173.164 174.600 0.240 0.000 1.092 1052 S CA -0.988 57.357 58.200 0.241 0.000 0.980 1052 S CB 1.305 64.591 63.200 0.143 0.000 1.048 1052 S HN 0.657 nan 8.310 nan 0.000 0.483 1053 W N 0.867 122.177 121.300 0.016 0.000 2.962 1053 W HA 0.683 5.343 4.660 -0.000 0.000 0.341 1053 W C 0.113 176.633 176.519 0.001 0.000 1.155 1053 W CA -0.783 56.565 57.345 0.005 0.000 1.165 1053 W CB 1.917 31.379 29.460 0.003 0.000 1.435 1053 W HN 0.740 nan 8.180 nan 0.000 0.546 1054 R N 1.379 121.993 120.500 0.189 0.000 2.740 1054 R HA 0.903 5.243 4.340 0.000 0.000 0.282 1054 R C -0.827 175.551 176.300 0.129 0.000 0.969 1054 R CA -0.486 55.680 56.100 0.110 0.000 0.918 1054 R CB 1.813 32.135 30.300 0.037 0.000 1.175 1054 R HN 0.646 nan 8.270 nan 0.000 0.464 1055 A N 2.423 125.296 122.820 0.088 0.000 2.533 1055 A HA 0.558 4.878 4.320 0.000 0.000 0.293 1055 A C -1.606 176.002 177.584 0.039 0.000 1.228 1055 A CA -0.782 51.300 52.037 0.075 0.000 0.689 1055 A CB 1.697 20.745 19.000 0.079 0.000 1.303 1055 A HN 0.715 nan 8.150 nan 0.000 0.444 1056 E N -0.659 119.559 120.200 0.031 0.000 2.266 1056 E HA 0.590 4.940 4.350 0.000 0.000 0.268 1056 E C -1.983 174.623 176.600 0.011 0.000 0.879 1056 E CA -0.716 55.694 56.400 0.016 0.000 0.762 1056 E CB 2.574 32.282 29.700 0.014 0.000 1.199 1056 E HN 0.338 nan 8.360 nan 0.000 0.422 1057 L N 2.988 124.213 121.223 0.003 0.000 2.446 1057 L HA 0.288 4.628 4.340 0.000 0.000 0.268 1057 L C -0.984 175.885 176.870 -0.003 0.000 0.975 1057 L CA -0.112 54.727 54.840 -0.000 0.000 0.848 1057 L CB 1.110 43.166 42.059 -0.004 0.000 1.225 1057 L HN 0.513 nan 8.230 nan 0.000 0.410 1058 D N 4.416 124.815 120.400 -0.002 0.000 2.751 1058 D HA -0.215 4.425 4.640 0.000 0.000 0.233 1058 D C 1.125 177.423 176.300 -0.003 0.000 1.149 1058 D CA 1.576 55.575 54.000 -0.003 0.000 0.682 1058 D CB -0.854 39.943 40.800 -0.005 0.000 1.068 1058 D HN 1.204 nan 8.370 nan 0.000 0.429 1059 G N -0.884 107.915 108.800 -0.001 0.000 2.217 1059 G HA2 -0.328 3.632 3.960 0.000 0.000 0.246 1059 G HA3 -0.328 3.632 3.960 0.000 0.000 0.246 1059 G C 0.291 175.189 174.900 -0.003 0.000 0.990 1059 G CA 0.536 45.635 45.100 -0.002 0.000 0.627 1059 G HN 0.443 nan 8.290 nan 0.000 0.522 1060 K N 0.876 121.273 120.400 -0.005 0.000 2.138 1060 K HA 0.707 5.027 4.320 0.000 0.000 0.263 1060 K C 0.385 176.981 176.600 -0.007 0.000 0.965 1060 K CA -0.035 56.248 56.287 -0.008 0.000 0.868 1060 K CB 1.953 34.446 32.500 -0.012 0.000 1.083 1060 K HN 0.470 nan 8.250 nan 0.000 0.443 1061 A N 2.366 125.181 122.820 -0.009 0.000 2.440 1061 A HA 0.385 4.705 4.320 0.000 0.000 0.251 1061 A C -0.239 177.338 177.584 -0.013 0.000 1.089 1061 A CA -0.302 51.732 52.037 -0.006 0.000 0.779 1061 A CB 0.326 19.322 19.000 -0.008 0.000 1.022 1061 A HN 0.422 nan 8.150 nan 0.000 0.492 1062 V N 3.633 123.545 119.914 -0.004 0.000 2.876 1062 V HA 0.457 4.577 4.120 0.000 0.000 0.312 1062 V C -0.479 175.619 176.094 0.006 0.000 1.085 1062 V CA -0.676 61.617 62.300 -0.012 0.000 0.945 1062 V CB 1.913 33.731 31.823 -0.008 0.000 1.017 1062 V HN 0.750 nan 8.190 nan 0.000 0.428 1063 I N 2.952 123.517 120.570 -0.008 0.000 2.562 1063 I HA 0.588 4.758 4.170 0.000 0.000 0.301 1063 I C -0.517 175.623 176.117 0.037 0.000 1.003 1063 I CA -0.700 60.613 61.300 0.022 0.000 1.127 1063 I CB 2.042 40.041 38.000 -0.002 0.000 1.304 1063 I HN 0.270 nan 8.210 nan 0.000 0.446 1064 V N 4.551 124.519 119.914 0.091 0.000 2.443 1064 V HA 0.408 4.528 4.120 0.000 0.000 0.293 1064 V C -0.599 175.577 176.094 0.136 0.000 1.021 1064 V CA -0.470 61.884 62.300 0.089 0.000 0.848 1064 V CB 2.079 33.943 31.823 0.070 0.000 0.998 1064 V HN 0.908 nan 8.190 nan 0.000 0.424 1065 C N 4.982 124.358 119.300 0.126 0.000 2.608 1065 C HA 0.746 5.206 4.460 0.000 0.000 0.325 1065 C C 0.550 175.643 174.990 0.171 0.000 1.147 1065 C CA -0.336 58.782 59.018 0.166 0.000 1.359 1065 C CB 1.356 29.190 27.740 0.156 0.000 1.912 1065 C HN 1.024 nan 8.230 nan 0.000 0.466 1066 S N 3.148 118.964 115.700 0.193 0.000 2.592 1066 S HA 0.383 4.854 4.470 0.000 0.000 0.271 1066 S C 0.925 175.688 174.600 0.271 0.000 1.326 1066 S CA 0.371 58.674 58.200 0.173 0.000 1.024 1066 S CB 1.332 64.603 63.200 0.118 0.000 0.921 1066 S HN 1.054 nan 8.310 nan 0.000 0.527 1067 T N -1.623 113.051 114.554 0.201 0.000 2.990 1067 T HA 0.527 4.877 4.350 0.000 0.000 0.249 1067 T C 1.169 175.977 174.700 0.179 0.000 1.039 1067 T CA 0.409 62.661 62.100 0.253 0.000 1.036 1067 T CB -0.866 68.087 68.868 0.141 0.000 0.994 1067 T HN 1.955 nan 8.240 nan 0.000 0.489 1068 G N 1.400 110.219 108.800 0.033 0.000 2.760 1068 G HA2 -0.081 3.879 3.960 0.000 0.000 0.246 1068 G HA3 -0.081 3.879 3.960 0.000 0.000 0.246 1068 G C -0.694 174.196 174.900 -0.018 0.000 1.359 1068 G CA -0.501 44.558 45.100 -0.069 0.000 0.861 1068 G HN 0.641 nan 8.290 nan 0.000 0.541 1069 I N 1.882 122.430 120.570 -0.037 0.000 2.396 1069 I HA 0.564 4.734 4.170 0.000 0.000 0.292 1069 I C 1.086 177.203 176.117 0.001 0.000 0.999 1069 I CA 0.689 61.980 61.300 -0.015 0.000 1.310 1069 I CB 0.978 38.961 38.000 -0.029 0.000 1.404 1069 I HN 2.118 nan 8.210 nan 0.000 0.496 1070 G N 3.707 112.516 108.800 0.014 0.000 2.712 1070 G HA2 -0.109 3.851 3.960 0.000 0.000 0.686 1070 G HA3 -0.109 3.851 3.960 0.000 0.000 0.686 1070 G C 0.580 175.496 174.900 0.026 0.000 1.321 1070 G CA -0.426 44.687 45.100 0.021 0.000 0.813 1070 G HN 0.991 nan 8.290 nan 0.000 0.599 1071 G N 0.497 109.315 108.800 0.029 0.000 2.440 1071 G HA2 0.061 4.021 3.960 0.000 0.000 0.218 1071 G HA3 0.061 4.021 3.960 0.000 0.000 0.218 1071 G C 0.130 175.049 174.900 0.032 0.000 1.154 1071 G CA 2.076 47.195 45.100 0.032 0.000 0.767 1071 G HN 0.692 nan 8.290 nan 0.000 0.552 1072 P HA -0.096 nan 4.420 nan 0.000 0.215 1072 P C 2.329 179.646 177.300 0.027 0.000 1.157 1072 P CA 1.845 64.951 63.100 0.010 0.000 0.868 1072 P CB -0.110 31.588 31.700 -0.003 0.000 0.788 1073 S N -1.570 114.160 115.700 0.050 0.000 2.359 1073 S HA -0.160 4.310 4.470 0.000 0.000 0.224 1073 S C 1.942 176.644 174.600 0.169 0.000 1.035 1073 S CA 2.169 60.445 58.200 0.127 0.000 1.018 1073 S CB -1.407 61.835 63.200 0.070 0.000 0.876 1073 S HN 0.129 nan 8.310 nan 0.000 0.448 1074 T N 1.760 116.368 114.554 0.089 0.000 2.746 1074 T HA -0.110 4.240 4.350 0.000 0.000 0.267 1074 T C 2.222 176.905 174.700 -0.029 0.000 1.039 1074 T CA 1.698 63.826 62.100 0.047 0.000 1.142 1074 T CB -0.630 68.239 68.868 0.002 0.000 0.866 1074 T HN 0.740 nan 8.240 nan 0.000 0.444 1075 S N 1.515 117.194 115.700 -0.034 0.000 2.382 1075 S HA -0.059 4.411 4.470 0.000 0.000 0.228 1075 S C 2.079 176.643 174.600 -0.059 0.000 1.027 1075 S CA 0.864 59.024 58.200 -0.066 0.000 0.991 1075 S CB -0.806 62.442 63.200 0.081 0.000 0.823 1075 S HN 0.510 nan 8.310 nan 0.000 0.469 1076 I N 2.341 122.875 120.570 -0.060 0.000 2.179 1076 I HA -0.153 4.017 4.170 0.000 0.000 0.242 1076 I C 3.139 179.122 176.117 -0.223 0.000 1.088 1076 I CA 1.199 62.407 61.300 -0.153 0.000 1.357 1076 I CB -0.779 37.057 38.000 -0.273 0.000 1.051 1076 I HN 0.440 nan 8.210 nan 0.000 0.409 1077 A N 0.539 123.218 122.820 -0.236 0.000 1.858 1077 A HA -0.161 4.159 4.320 0.000 0.000 0.216 1077 A C 2.432 179.972 177.584 -0.072 0.000 1.190 1077 A CA 1.940 53.837 52.037 -0.233 0.000 0.617 1077 A CB -1.038 17.951 19.000 -0.018 0.000 0.827 1077 A HN 0.234 nan 8.150 nan 0.000 0.443 1078 V N 1.277 121.128 119.914 -0.104 0.000 2.261 1078 V HA -0.323 3.797 4.120 0.000 0.000 0.246 1078 V C 2.631 178.664 176.094 -0.102 0.000 1.047 1078 V CA 2.463 64.635 62.300 -0.213 0.000 1.015 1078 V CB -1.155 30.360 31.823 -0.515 0.000 0.642 1078 V HN 0.922 nan 8.190 nan 0.000 0.446 1079 E N 0.510 120.653 120.200 -0.095 0.000 2.077 1079 E HA -0.282 4.068 4.350 0.000 0.000 0.193 1079 E C 1.966 178.595 176.600 0.048 0.000 0.989 1079 E CA 1.855 58.250 56.400 -0.007 0.000 0.800 1079 E CB -0.426 29.298 29.700 0.040 0.000 0.746 1079 E HN 0.696 nan 8.360 nan 0.000 0.452 1080 E N 0.687 120.904 120.200 0.028 0.000 2.107 1080 E HA -0.080 4.270 4.350 0.000 0.000 0.191 1080 E C 2.267 178.902 176.600 0.057 0.000 0.982 1080 E CA 0.807 57.231 56.400 0.040 0.000 0.809 1080 E CB -0.037 29.663 29.700 -0.000 0.000 0.756 1080 E HN 0.327 nan 8.360 nan 0.000 0.459 1081 L N 0.507 121.788 121.223 0.098 0.000 2.093 1081 L HA -0.151 4.189 4.340 0.000 0.000 0.208 1081 L C 2.547 179.513 176.870 0.160 0.000 1.085 1081 L CA 0.889 55.811 54.840 0.137 0.000 0.755 1081 L CB -0.368 41.845 42.059 0.257 0.000 0.904 1081 L HN 0.139 nan 8.230 nan 0.000 0.435 1082 A N -0.456 122.515 122.820 0.253 0.000 1.933 1082 A HA -0.238 4.082 4.320 0.000 0.000 0.218 1082 A C 2.184 179.833 177.584 0.107 0.000 1.175 1082 A CA 1.400 53.569 52.037 0.219 0.000 0.628 1082 A CB -0.408 18.713 19.000 0.201 0.000 0.814 1082 A HN 0.477 nan 8.150 nan 0.000 0.444 1083 Q N -0.522 119.329 119.800 0.085 0.000 2.170 1083 Q HA 0.002 4.342 4.340 0.000 0.000 0.203 1083 Q C 1.513 177.534 176.000 0.035 0.000 0.976 1083 Q CA 1.013 56.850 55.803 0.057 0.000 0.858 1083 Q CB -0.248 28.524 28.738 0.057 0.000 0.907 1083 Q HN 0.648 nan 8.270 nan 0.000 0.433 1084 L N -0.946 120.296 121.223 0.032 0.000 2.591 1084 L HA 0.132 4.472 4.340 0.000 0.000 0.228 1084 L C 1.064 177.934 176.870 0.000 0.000 1.133 1084 L CA 0.479 55.325 54.840 0.009 0.000 0.880 1084 L CB 0.111 42.172 42.059 0.004 0.000 1.033 1084 L HN 0.452 nan 8.230 nan 0.000 0.450 1085 G N -0.264 108.541 108.800 0.009 0.000 2.184 1085 G HA2 -0.197 3.763 3.960 0.000 0.000 0.206 1085 G HA3 -0.197 3.763 3.960 0.000 0.000 0.206 1085 G C 0.244 175.122 174.900 -0.037 0.000 0.995 1085 G CA -0.662 44.434 45.100 -0.006 0.000 0.651 1085 G HN 0.076 nan 8.290 nan 0.000 0.511 1086 I N 1.198 121.726 120.570 -0.070 0.000 2.533 1086 I HA 0.277 4.447 4.170 0.000 0.000 0.284 1086 I C 1.499 177.519 176.117 -0.162 0.000 1.109 1086 I CA 0.439 61.603 61.300 -0.226 0.000 1.412 1086 I CB 0.882 38.591 38.000 -0.486 0.000 1.396 1086 I HN 0.233 nan 8.210 nan 0.000 0.543 1087 R N 2.691 123.093 120.500 -0.163 0.000 2.446 1087 R HA 0.188 4.528 4.340 0.000 0.000 0.254 1087 R C -0.244 176.055 176.300 -0.001 0.000 0.918 1087 R CA 0.160 56.252 56.100 -0.012 0.000 1.069 1087 R CB 0.658 30.961 30.300 0.005 0.000 1.194 1087 R HN 0.556 nan 8.270 nan 0.000 0.534 1088 T N 0.913 115.357 114.554 -0.183 0.000 2.879 1088 T HA 0.476 4.826 4.350 0.000 0.000 0.290 1088 T C -1.236 173.307 174.700 -0.262 0.000 0.993 1088 T CA -0.389 61.661 62.100 -0.084 0.000 0.975 1088 T CB 1.240 70.072 68.868 -0.060 0.000 0.981 1088 T HN -0.124 nan 8.240 nan 0.000 0.439 1089 F N 2.702 122.650 119.950 -0.004 0.000 2.493 1089 F HA 0.591 5.118 4.527 0.000 0.000 0.329 1089 F C -0.212 175.585 175.800 -0.005 0.000 1.126 1089 F CA -1.138 56.859 58.000 -0.005 0.000 0.937 1089 F CB 1.372 40.364 39.000 -0.013 0.000 1.146 1089 F HN 0.225 nan 8.300 nan 0.000 0.442 1090 L N 4.288 125.596 121.223 0.141 0.000 2.316 1090 L HA 0.519 4.859 4.340 0.000 0.000 0.280 1090 L C -0.079 176.842 176.870 0.085 0.000 1.006 1090 L CA -0.664 54.227 54.840 0.085 0.000 0.836 1090 L CB 1.751 43.832 42.059 0.035 0.000 1.221 1090 L HN 0.600 nan 8.230 nan 0.000 0.418 1091 R N 3.080 123.625 120.500 0.075 0.000 2.357 1091 R HA 0.587 4.927 4.340 0.000 0.000 0.296 1091 R C -1.074 175.249 176.300 0.037 0.000 1.052 1091 R CA -0.528 55.607 56.100 0.059 0.000 0.988 1091 R CB 1.360 31.688 30.300 0.046 0.000 1.025 1091 R HN 0.528 nan 8.270 nan 0.000 0.469 1092 I N 2.841 123.430 120.570 0.032 0.000 2.545 1092 I HA 0.708 4.878 4.170 0.000 0.000 0.292 1092 I C -0.812 175.316 176.117 0.018 0.000 1.040 1092 I CA -0.157 61.155 61.300 0.021 0.000 1.068 1092 I CB 2.153 40.161 38.000 0.014 0.000 1.251 1092 I HN 0.759 nan 8.210 nan 0.000 0.424 1093 G N 3.570 112.380 108.800 0.016 0.000 2.606 1093 G HA2 0.629 4.589 3.960 0.000 0.000 0.300 1093 G HA3 0.629 4.589 3.960 0.000 0.000 0.300 1093 G C -1.440 173.470 174.900 0.016 0.000 1.360 1093 G CA -0.175 44.934 45.100 0.015 0.000 0.783 1093 G HN 0.729 nan 8.290 nan 0.000 0.484 1094 T N -2.472 112.092 114.554 0.017 0.000 2.885 1094 T HA 0.786 5.136 4.350 0.000 0.000 0.285 1094 T C -0.356 174.361 174.700 0.027 0.000 1.019 1094 T CA -0.554 61.558 62.100 0.019 0.000 1.010 1094 T CB 2.162 71.039 68.868 0.014 0.000 1.022 1094 T HN 0.958 nan 8.240 nan 0.000 0.466 1095 T N 0.144 114.715 114.554 0.027 0.000 2.787 1095 T HA 0.733 5.083 4.350 0.000 0.000 0.297 1095 T C -0.298 174.418 174.700 0.026 0.000 1.221 1095 T CA -0.265 61.854 62.100 0.032 0.000 1.006 1095 T CB 1.363 70.245 68.868 0.022 0.000 1.328 1095 T HN 1.139 nan 8.240 nan 0.000 0.509 1096 G N 0.361 109.178 108.800 0.028 0.000 2.434 1096 G HA2 0.722 4.682 3.960 0.000 0.000 0.330 1096 G HA3 0.722 4.682 3.960 0.000 0.000 0.330 1096 G C -0.644 174.255 174.900 -0.003 0.000 1.155 1096 G CA -0.217 44.894 45.100 0.018 0.000 0.917 1096 G HN 0.941 nan 8.290 nan 0.000 0.493 1097 A N 0.329 123.135 122.820 -0.024 0.000 2.299 1097 A HA 0.705 5.025 4.320 0.000 0.000 0.332 1097 A C 0.624 178.177 177.584 -0.052 0.000 1.131 1097 A CA -0.718 51.279 52.037 -0.067 0.000 0.844 1097 A CB 0.991 19.921 19.000 -0.116 0.000 1.251 1097 A HN 1.227 nan 8.150 nan 0.000 0.486 1098 I N -2.801 117.719 120.570 -0.083 0.000 4.050 1098 I HA 0.300 4.470 4.170 0.000 0.000 0.327 1098 I C -0.505 175.590 176.117 -0.037 0.000 1.473 1098 I CA -0.210 61.062 61.300 -0.047 0.000 1.124 1098 I CB 0.349 38.298 38.000 -0.084 0.000 1.129 1098 I HN 0.263 nan 8.210 nan 0.000 0.428 1099 Q N 1.931 121.685 119.800 -0.077 0.000 2.322 1099 Q HA 0.402 4.742 4.340 0.000 0.000 0.265 1099 Q C -2.033 173.936 176.000 -0.052 0.000 0.985 1099 Q CA -1.882 53.901 55.803 -0.034 0.000 0.849 1099 Q CB 2.198 30.890 28.738 -0.077 0.000 1.274 1099 Q HN -0.016 nan 8.270 nan 0.000 0.449 1100 P HA -0.189 nan 4.420 nan 0.000 0.218 1100 P C 0.957 178.279 177.300 0.037 0.000 1.148 1100 P CA 1.446 64.569 63.100 0.039 0.000 0.822 1100 P CB 0.127 31.865 31.700 0.065 0.000 0.784 1101 H N -1.513 117.533 119.070 -0.040 0.000 2.555 1101 H HA 0.099 4.655 4.556 0.000 0.000 0.269 1101 H C 0.533 175.830 175.328 -0.052 0.000 0.988 1101 H CA 0.166 56.197 56.048 -0.028 0.000 1.178 1101 H CB -0.815 28.938 29.762 -0.015 0.000 1.373 1101 H HN 0.146 nan 8.280 nan 0.000 0.588 1102 I N 3.154 123.358 120.570 -0.610 0.000 2.352 1102 I HA 0.059 4.229 4.170 0.000 0.000 0.290 1102 I C -0.157 175.853 176.117 -0.177 0.000 1.036 1102 I CA -0.347 60.623 61.300 -0.550 0.000 1.336 1102 I CB 0.761 38.343 38.000 -0.698 0.000 1.407 1102 I HN 0.115 nan 8.210 nan 0.000 0.497 1103 N N 5.126 123.805 118.700 -0.034 0.000 2.443 1103 N HA 0.342 5.082 4.740 0.000 0.000 0.293 1103 N C -0.540 174.981 175.510 0.018 0.000 1.159 1103 N CA -0.618 52.434 53.050 0.003 0.000 0.904 1103 N CB 2.092 40.599 38.487 0.033 0.000 1.214 1103 N HN 0.156 nan 8.380 nan 0.000 0.513 1104 V N 0.795 120.718 119.914 0.016 0.000 2.599 1104 V HA 0.229 4.349 4.120 0.000 0.000 0.300 1104 V C 1.497 177.612 176.094 0.036 0.000 1.034 1104 V CA 1.513 63.827 62.300 0.022 0.000 1.115 1104 V CB 0.208 32.043 31.823 0.020 0.000 0.934 1104 V HN 1.071 nan 8.190 nan 0.000 0.485 1105 G N 3.753 112.580 108.800 0.044 0.000 2.232 1105 G HA2 -0.181 3.779 3.960 0.000 0.000 0.226 1105 G HA3 -0.181 3.779 3.960 0.000 0.000 0.226 1105 G C 0.002 174.935 174.900 0.055 0.000 0.996 1105 G CA 0.037 45.173 45.100 0.061 0.000 0.626 1105 G HN 0.662 nan 8.290 nan 0.000 0.509 1106 D N 0.065 120.499 120.400 0.057 0.000 2.363 1106 D HA 0.518 5.158 4.640 0.000 0.000 0.240 1106 D C 0.489 176.827 176.300 0.062 0.000 1.236 1106 D CA 0.147 54.186 54.000 0.065 0.000 0.927 1106 D CB 1.564 42.472 40.800 0.180 0.000 1.150 1106 D HN 0.250 nan 8.370 nan 0.000 0.458 1107 V N 1.361 121.298 119.914 0.039 0.000 2.555 1107 V HA 0.383 4.503 4.120 0.000 0.000 0.302 1107 V C -0.172 175.957 176.094 0.058 0.000 1.038 1107 V CA -0.764 61.555 62.300 0.032 0.000 0.887 1107 V CB 1.552 33.370 31.823 -0.008 0.000 0.991 1107 V HN 0.266 nan 8.190 nan 0.000 0.434 1108 L N 4.892 126.148 121.223 0.055 0.000 2.313 1108 L HA 0.687 5.027 4.340 0.000 0.000 0.283 1108 L C -0.816 176.071 176.870 0.029 0.000 1.013 1108 L CA -0.816 54.060 54.840 0.060 0.000 0.816 1108 L CB 1.934 44.017 42.059 0.040 0.000 1.236 1108 L HN 0.317 nan 8.230 nan 0.000 0.419 1109 V N 1.679 121.609 119.914 0.027 0.000 2.409 1109 V HA 0.318 4.438 4.120 0.000 0.000 0.291 1109 V C 0.149 176.251 176.094 0.013 0.000 1.020 1109 V CA -0.415 61.891 62.300 0.010 0.000 0.848 1109 V CB 1.898 33.719 31.823 -0.003 0.000 0.990 1109 V HN 0.748 nan 8.190 nan 0.000 0.430 1110 T N 3.306 117.864 114.554 0.007 0.000 2.743 1110 T HA 0.211 4.561 4.350 0.000 0.000 0.293 1110 T C 1.319 176.024 174.700 0.009 0.000 0.945 1110 T CA 0.189 62.291 62.100 0.003 0.000 1.030 1110 T CB 1.230 70.095 68.868 -0.005 0.000 0.912 1110 T HN 0.954 nan 8.240 nan 0.000 0.483 1111 T N 0.652 115.214 114.554 0.013 0.000 2.937 1111 T HA 0.481 4.831 4.350 0.000 0.000 0.260 1111 T C 0.722 175.432 174.700 0.017 0.000 1.051 1111 T CA 0.268 62.383 62.100 0.024 0.000 1.141 1111 T CB 0.172 69.059 68.868 0.032 0.000 0.879 1111 T HN 0.762 nan 8.240 nan 0.000 0.459 1112 A N -0.068 122.753 122.820 0.000 0.000 2.586 1112 A HA 0.679 4.999 4.320 0.000 0.000 0.291 1112 A C -1.034 176.533 177.584 -0.029 0.000 1.062 1112 A CA -0.847 51.185 52.037 -0.008 0.000 0.666 1112 A CB 1.226 20.218 19.000 -0.013 0.000 1.281 1112 A HN 0.214 nan 8.150 nan 0.000 0.421 1113 S N -0.520 115.161 115.700 -0.033 0.000 2.566 1113 S HA 0.636 5.106 4.470 0.000 0.000 0.298 1113 S C -0.497 174.052 174.600 -0.084 0.000 1.083 1113 S CA -0.569 57.592 58.200 -0.065 0.000 0.978 1113 S CB 1.761 64.933 63.200 -0.047 0.000 1.073 1113 S HN 0.914 nan 8.310 nan 0.000 0.491 1114 V N 2.820 122.634 119.914 -0.166 0.000 2.508 1114 V HA 0.231 4.351 4.120 0.000 0.000 0.281 1114 V C 0.480 176.501 176.094 -0.120 0.000 1.041 1114 V CA -0.173 61.997 62.300 -0.217 0.000 1.016 1114 V CB 0.188 31.687 31.823 -0.540 0.000 0.984 1114 V HN 0.695 nan 8.190 nan 0.000 0.478 1115 R N 5.410 125.889 120.500 -0.034 0.000 2.891 1115 R HA 0.313 4.653 4.340 0.000 0.000 0.248 1115 R C -0.086 176.255 176.300 0.070 0.000 1.439 1115 R CA -0.107 56.010 56.100 0.029 0.000 1.288 1115 R CB -0.029 30.310 30.300 0.065 0.000 1.212 1115 R HN 0.658 nan 8.270 nan 0.000 0.605 1116 L N 2.382 123.650 121.223 0.075 0.000 2.928 1116 L HA 0.140 4.480 4.340 0.000 0.000 0.236 1116 L C 0.215 177.173 176.870 0.148 0.000 1.290 1116 L CA -0.263 54.682 54.840 0.175 0.000 1.099 1116 L CB -0.766 41.433 42.059 0.233 0.000 1.437 1116 L HN 0.523 nan 8.230 nan 0.000 0.493 1117 D N -1.571 118.899 120.400 0.117 0.000 2.727 1117 D HA 0.370 5.010 4.640 0.000 0.000 0.264 1117 D C 0.648 177.023 176.300 0.124 0.000 1.101 1117 D CA -0.222 53.842 54.000 0.107 0.000 1.122 1117 D CB 1.644 42.495 40.800 0.085 0.000 1.390 1117 D HN -0.079 nan 8.370 nan 0.000 0.606 1118 G N -1.133 107.747 108.800 0.133 0.000 2.780 1118 G HA2 0.272 4.233 3.960 0.000 0.000 0.198 1118 G HA3 0.272 4.233 3.960 0.000 0.000 0.198 1118 G C 1.310 176.367 174.900 0.262 0.000 1.067 1118 G CA 0.691 45.891 45.100 0.168 0.000 0.765 1118 G HN 0.626 nan 8.290 nan 0.000 0.581 1119 A N 1.941 124.893 122.820 0.221 0.000 1.908 1119 A HA -0.089 4.231 4.320 0.000 0.000 0.218 1119 A C 2.701 180.537 177.584 0.420 0.000 1.181 1119 A CA 2.812 55.005 52.037 0.261 0.000 0.627 1119 A CB -0.870 18.218 19.000 0.147 0.000 0.818 1119 A HN 0.879 nan 8.150 nan 0.000 0.445 1120 S N 0.153 116.033 115.700 0.300 0.000 2.400 1120 S HA -0.143 4.327 4.470 0.000 0.000 0.232 1120 S C 1.753 176.525 174.600 0.286 0.000 1.025 1120 S CA 1.544 59.928 58.200 0.306 0.000 0.993 1120 S CB -0.820 62.481 63.200 0.169 0.000 0.808 1120 S HN 0.462 nan 8.310 nan 0.000 0.478 1121 L N 0.497 121.835 121.223 0.192 0.000 2.353 1121 L HA -0.067 4.273 4.340 0.000 0.000 0.220 1121 L C 2.151 178.952 176.870 -0.115 0.000 1.133 1121 L CA 1.206 56.062 54.840 0.027 0.000 0.798 1121 L CB -0.616 41.413 42.059 -0.050 0.000 0.922 1121 L HN 0.406 nan 8.230 nan 0.000 0.445 1122 H N -2.182 116.817 119.070 -0.117 0.000 2.548 1122 H HA 0.019 4.575 4.556 0.000 0.000 0.268 1122 H C 1.354 176.313 175.328 -0.615 0.000 0.975 1122 H CA 0.924 56.742 56.048 -0.384 0.000 1.195 1122 H CB 0.105 29.552 29.762 -0.525 0.000 1.397 1122 H HN 0.237 nan 8.280 nan 0.000 0.572 1123 F N -0.676 119.288 119.950 0.023 0.000 2.694 1123 F HA 0.550 5.077 4.527 0.000 0.000 0.292 1123 F C 0.923 176.624 175.800 -0.165 0.000 1.121 1123 F CA 0.309 58.268 58.000 -0.068 0.000 1.352 1123 F CB 0.835 39.786 39.000 -0.082 0.000 1.107 1123 F HN 0.048 nan 8.300 nan 0.000 0.597 1124 A N 0.156 122.970 122.820 -0.009 0.000 2.594 1124 A HA 0.566 4.886 4.320 0.000 0.000 0.296 1124 A C -2.799 174.783 177.584 -0.004 0.000 1.061 1124 A CA -1.326 50.639 52.037 -0.118 0.000 0.689 1124 A CB 0.513 19.254 19.000 -0.432 0.000 1.280 1124 A HN -0.184 nan 8.150 nan 0.000 0.406 1125 P HA 0.117 nan 4.420 nan 0.000 0.270 1125 P C 0.859 178.224 177.300 0.108 0.000 1.223 1125 P CA -0.205 62.925 63.100 0.050 0.000 0.785 1125 P CB 0.448 32.179 31.700 0.051 0.000 0.923 1126 M N 1.479 121.129 119.600 0.082 0.000 2.195 1126 M HA -0.197 4.283 4.480 0.000 0.000 0.260 1126 M C 1.479 177.846 176.300 0.112 0.000 1.066 1126 M CA 1.944 57.301 55.300 0.095 0.000 1.089 1126 M CB -1.311 31.330 32.600 0.068 0.000 1.377 1126 M HN 0.302 nan 8.290 nan 0.000 0.411 1127 E N -0.848 119.417 120.200 0.108 0.000 2.204 1127 E HA -0.079 4.271 4.350 0.000 0.000 0.195 1127 E C 0.264 176.931 176.600 0.113 0.000 0.990 1127 E CA 0.600 57.056 56.400 0.093 0.000 0.821 1127 E CB -0.457 29.290 29.700 0.079 0.000 0.750 1127 E HN 0.495 nan 8.360 nan 0.000 0.477 1128 F N 2.408 122.373 119.950 0.026 0.000 2.484 1128 F HA 0.163 4.690 4.527 0.000 0.000 0.360 1128 F C -1.980 173.836 175.800 0.026 0.000 1.101 1128 F CA -2.728 55.288 58.000 0.028 0.000 1.251 1128 F CB 0.564 39.585 39.000 0.035 0.000 1.132 1128 F HN -0.119 nan 8.300 nan 0.000 0.570 1129 P HA 0.173 nan 4.420 nan 0.000 0.280 1129 P C -1.341 175.986 177.300 0.045 0.000 1.244 1129 P CA -0.457 62.563 63.100 -0.133 0.000 0.784 1129 P CB 1.358 32.916 31.700 -0.237 0.000 0.913 1130 A N 3.969 126.841 122.820 0.086 0.000 3.063 1130 A HA 0.269 4.589 4.320 0.000 0.000 0.263 1130 A C 0.270 177.884 177.584 0.050 0.000 1.736 1130 A CA -0.357 51.743 52.037 0.104 0.000 1.408 1130 A CB -0.938 18.101 19.000 0.064 0.000 1.108 1130 A HN 0.467 nan 8.150 nan 0.000 0.621 1131 V N 1.609 121.553 119.914 0.050 0.000 2.539 1131 V HA 0.700 4.820 4.120 0.000 0.000 0.292 1131 V C 0.639 176.764 176.094 0.052 0.000 1.045 1131 V CA -0.179 62.137 62.300 0.026 0.000 0.945 1131 V CB 1.450 33.262 31.823 -0.017 0.000 0.993 1131 V HN 0.881 nan 8.190 nan 0.000 0.464 1132 A N 4.140 126.987 122.820 0.046 0.000 2.322 1132 A HA 0.437 4.757 4.320 0.000 0.000 0.269 1132 A C -0.034 177.597 177.584 0.078 0.000 1.094 1132 A CA -0.285 51.784 52.037 0.053 0.000 0.807 1132 A CB 0.285 19.308 19.000 0.038 0.000 1.047 1132 A HN 1.026 nan 8.150 nan 0.000 0.487 1133 D N 0.236 120.685 120.400 0.081 0.000 2.389 1133 D HA 0.144 4.784 4.640 0.000 0.000 0.247 1133 D C 0.683 177.055 176.300 0.120 0.000 1.128 1133 D CA -0.178 53.886 54.000 0.107 0.000 0.884 1133 D CB 0.195 41.050 40.800 0.092 0.000 1.194 1133 D HN 0.375 nan 8.370 nan 0.000 0.441 1134 F N 4.135 124.096 119.950 0.019 0.000 2.095 1134 F HA -0.139 4.388 4.527 0.000 0.000 0.298 1134 F C 2.049 177.857 175.800 0.013 0.000 1.104 1134 F CA 1.860 59.868 58.000 0.013 0.000 1.232 1134 F CB -0.497 38.508 39.000 0.009 0.000 0.987 1134 F HN 0.508 nan 8.300 nan 0.000 0.475 1135 A N -0.575 122.213 122.820 -0.053 0.000 1.902 1135 A HA -0.221 4.099 4.320 0.000 0.000 0.217 1135 A C 2.381 179.869 177.584 -0.159 0.000 1.181 1135 A CA 1.847 53.798 52.037 -0.143 0.000 0.623 1135 A CB -1.662 17.340 19.000 0.004 0.000 0.818 1135 A HN 0.572 nan 8.150 nan 0.000 0.443 1136 C N -1.206 118.047 119.300 -0.078 0.000 2.453 1136 C HA -0.065 4.396 4.460 0.000 0.000 0.277 1136 C C 3.049 177.984 174.990 -0.092 0.000 1.262 1136 C CA 1.502 60.486 59.018 -0.056 0.000 1.718 1136 C CB -1.492 26.248 27.740 -0.000 0.000 2.031 1136 C HN 0.649 nan 8.230 nan 0.000 0.480 1137 T N 0.541 115.027 114.554 -0.114 0.000 2.746 1137 T HA -0.157 4.193 4.350 0.000 0.000 0.267 1137 T C 1.801 176.386 174.700 -0.191 0.000 1.039 1137 T CA 2.128 64.158 62.100 -0.117 0.000 1.142 1137 T CB -0.508 68.314 68.868 -0.077 0.000 0.866 1137 T HN 0.587 nan 8.240 nan 0.000 0.444 1138 T N 2.023 116.361 114.554 -0.360 0.000 2.708 1138 T HA -0.023 4.327 4.350 0.000 0.000 0.266 1138 T C 2.434 177.013 174.700 -0.203 0.000 1.037 1138 T CA 1.185 63.063 62.100 -0.370 0.000 1.146 1138 T CB -0.598 67.904 68.868 -0.611 0.000 0.865 1138 T HN 0.432 nan 8.240 nan 0.000 0.435 1139 A N 1.164 123.881 122.820 -0.171 0.000 1.908 1139 A HA -0.031 4.289 4.320 0.000 0.000 0.218 1139 A C 2.302 179.840 177.584 -0.077 0.000 1.181 1139 A CA 1.333 53.308 52.037 -0.103 0.000 0.627 1139 A CB -0.871 18.081 19.000 -0.079 0.000 0.818 1139 A HN 0.484 nan 8.150 nan 0.000 0.445 1140 L N -0.743 120.436 121.223 -0.074 0.000 2.093 1140 L HA -0.124 4.216 4.340 0.000 0.000 0.208 1140 L C 2.481 179.319 176.870 -0.053 0.000 1.085 1140 L CA 0.840 55.649 54.840 -0.051 0.000 0.755 1140 L CB -0.434 41.602 42.059 -0.039 0.000 0.904 1140 L HN 0.244 nan 8.230 nan 0.000 0.435 1141 V N -0.268 119.605 119.914 -0.068 0.000 2.427 1141 V HA -0.233 3.887 4.120 0.000 0.000 0.248 1141 V C 2.309 178.368 176.094 -0.059 0.000 1.051 1141 V CA 1.652 63.915 62.300 -0.061 0.000 1.048 1141 V CB -0.413 31.371 31.823 -0.065 0.000 0.666 1141 V HN 0.447 nan 8.190 nan 0.000 0.456 1142 E N 0.338 120.499 120.200 -0.065 0.000 2.107 1142 E HA -0.127 4.223 4.350 0.000 0.000 0.191 1142 E C 2.345 178.916 176.600 -0.047 0.000 0.982 1142 E CA 1.171 57.538 56.400 -0.054 0.000 0.809 1142 E CB -0.300 29.366 29.700 -0.057 0.000 0.756 1142 E HN 0.587 nan 8.360 nan 0.000 0.459 1143 A N 1.598 124.391 122.820 -0.046 0.000 1.902 1143 A HA -0.110 4.210 4.320 0.000 0.000 0.217 1143 A C 2.393 179.952 177.584 -0.041 0.000 1.181 1143 A CA 1.626 53.640 52.037 -0.038 0.000 0.623 1143 A CB -0.596 18.385 19.000 -0.032 0.000 0.818 1143 A HN 0.286 nan 8.150 nan 0.000 0.443 1144 A N 0.010 122.803 122.820 -0.046 0.000 1.877 1144 A HA -0.196 4.124 4.320 0.000 0.000 0.216 1144 A C 2.144 179.688 177.584 -0.067 0.000 1.186 1144 A CA 2.101 54.105 52.037 -0.056 0.000 0.620 1144 A CB -0.500 18.467 19.000 -0.055 0.000 0.822 1144 A HN 0.572 nan 8.150 nan 0.000 0.443 1145 K N 0.396 120.760 120.400 -0.060 0.000 2.097 1145 K HA -0.156 4.164 4.320 0.000 0.000 0.206 1145 K C 2.184 178.752 176.600 -0.054 0.000 1.049 1145 K CA 1.847 58.100 56.287 -0.058 0.000 0.933 1145 K CB -0.233 32.238 32.500 -0.049 0.000 0.717 1145 K HN 0.587 nan 8.250 nan 0.000 0.442 1146 S N 0.063 115.735 115.700 -0.047 0.000 2.442 1146 S HA -0.124 4.346 4.470 0.000 0.000 0.236 1146 S C 1.711 176.283 174.600 -0.047 0.000 1.007 1146 S CA 0.875 59.050 58.200 -0.040 0.000 0.965 1146 S CB -0.149 63.032 63.200 -0.033 0.000 0.773 1146 S HN 0.297 nan 8.310 nan 0.000 0.504 1147 I N 1.520 122.053 120.570 -0.062 0.000 3.728 1147 I HA 0.331 4.501 4.170 0.000 0.000 0.307 1147 I C 1.707 177.753 176.117 -0.119 0.000 1.276 1147 I CA 0.449 61.699 61.300 -0.085 0.000 1.285 1147 I CB -0.136 37.806 38.000 -0.097 0.000 1.038 1147 I HN 0.530 nan 8.210 nan 0.000 0.445 1148 G N 0.743 109.484 108.800 -0.099 0.000 2.143 1148 G HA2 -0.197 3.763 3.960 0.000 0.000 0.248 1148 G HA3 -0.197 3.763 3.960 0.000 0.000 0.248 1148 G C 0.548 175.373 174.900 -0.125 0.000 0.991 1148 G CA 0.126 45.167 45.100 -0.099 0.000 0.689 1148 G HN 0.697 nan 8.290 nan 0.000 0.522 1149 A N -0.030 122.705 122.820 -0.141 0.000 2.371 1149 A HA 0.683 5.003 4.320 0.000 0.000 0.257 1149 A C 0.817 178.327 177.584 -0.122 0.000 1.089 1149 A CA 0.822 52.771 52.037 -0.146 0.000 0.794 1149 A CB 0.434 19.350 19.000 -0.139 0.000 1.029 1149 A HN 0.785 nan 8.150 nan 0.000 0.488 1150 T N 3.121 117.603 114.554 -0.120 0.000 2.743 1150 T HA 0.376 4.726 4.350 0.000 0.000 0.290 1150 T C 0.176 174.725 174.700 -0.251 0.000 0.908 1150 T CA 0.462 62.465 62.100 -0.162 0.000 1.092 1150 T CB -0.216 68.580 68.868 -0.119 0.000 0.882 1150 T HN 0.642 nan 8.240 nan 0.000 0.531 1151 T N 4.505 118.887 114.554 -0.288 0.000 2.859 1151 T HA 0.379 4.729 4.350 0.000 0.000 0.281 1151 T C -0.401 174.052 174.700 -0.410 0.000 1.005 1151 T CA -0.783 61.151 62.100 -0.276 0.000 1.025 1151 T CB 0.801 69.591 68.868 -0.130 0.000 0.977 1151 T HN 0.503 nan 8.240 nan 0.000 0.458 1152 H N 1.186 120.251 119.070 -0.009 0.000 2.547 1152 H HA 0.494 5.050 4.556 0.000 0.000 0.342 1152 H C -0.993 174.335 175.328 0.001 0.000 1.048 1152 H CA -0.493 55.557 56.048 0.004 0.000 1.204 1152 H CB 1.625 31.379 29.762 -0.014 0.000 1.493 1152 H HN 0.270 nan 8.280 nan 0.000 0.511 1153 V N 2.968 122.948 119.914 0.111 0.000 2.378 1153 V HA 0.694 4.814 4.120 0.000 0.000 0.288 1153 V C 0.574 176.706 176.094 0.063 0.000 1.016 1153 V CA -0.243 62.095 62.300 0.063 0.000 0.840 1153 V CB 1.240 33.085 31.823 0.037 0.000 0.994 1153 V HN 1.060 nan 8.190 nan 0.000 0.431 1154 G N 3.334 112.160 108.800 0.043 0.000 2.393 1154 G HA2 0.443 4.403 3.960 0.000 0.000 0.264 1154 G HA3 0.443 4.403 3.960 0.000 0.000 0.264 1154 G C -1.289 173.613 174.900 0.003 0.000 1.221 1154 G CA -0.432 44.686 45.100 0.029 0.000 0.912 1154 G HN 0.443 nan 8.290 nan 0.000 0.483 1155 V N 0.806 120.711 119.914 -0.014 0.000 2.607 1155 V HA 0.625 4.745 4.120 0.000 0.000 0.289 1155 V C 0.333 176.375 176.094 -0.086 0.000 1.053 1155 V CA 0.013 62.284 62.300 -0.048 0.000 0.996 1155 V CB 1.274 33.064 31.823 -0.054 0.000 0.995 1155 V HN 0.749 nan 8.190 nan 0.000 0.476 1156 T N 3.123 117.612 114.554 -0.107 0.000 2.887 1156 T HA 0.679 5.029 4.350 0.000 0.000 0.288 1156 T C -0.224 174.355 174.700 -0.202 0.000 1.021 1156 T CA -0.314 61.704 62.100 -0.138 0.000 1.000 1156 T CB 1.722 70.542 68.868 -0.080 0.000 1.034 1156 T HN 0.919 nan 8.240 nan 0.000 0.467 1157 A N 1.909 124.566 122.820 -0.272 0.000 2.249 1157 A HA 0.645 4.965 4.320 0.000 0.000 0.314 1157 A C 0.245 177.778 177.584 -0.085 0.000 1.290 1157 A CA -0.495 51.350 52.037 -0.320 0.000 0.893 1157 A CB 0.534 19.184 19.000 -0.583 0.000 1.165 1157 A HN 0.619 nan 8.150 nan 0.000 0.530 1158 S N 2.098 117.754 115.700 -0.073 0.000 2.423 1158 S HA 0.495 4.965 4.470 0.000 0.000 0.317 1158 S C 0.063 174.668 174.600 0.008 0.000 1.065 1158 S CA -0.282 57.911 58.200 -0.012 0.000 1.111 1158 S CB 0.234 63.426 63.200 -0.013 0.000 0.968 1158 S HN 0.919 nan 8.310 nan 0.000 0.474 1159 S N 3.198 118.899 115.700 0.003 0.000 2.509 1159 S HA 0.351 4.821 4.470 0.000 0.000 0.297 1159 S C 0.444 175.025 174.600 -0.032 0.000 1.118 1159 S CA -0.641 57.537 58.200 -0.036 0.000 1.074 1159 S CB 1.149 64.252 63.200 -0.163 0.000 1.038 1159 S HN 0.710 nan 8.310 nan 0.000 0.498 1160 D N 1.834 122.226 120.400 -0.014 0.000 2.363 1160 D HA 0.116 4.756 4.640 0.000 0.000 0.226 1160 D C 0.579 176.871 176.300 -0.012 0.000 1.020 1160 D CA 0.739 54.745 54.000 0.009 0.000 0.892 1160 D CB 0.188 41.015 40.800 0.046 0.000 0.900 1160 D HN 0.706 nan 8.370 nan 0.000 0.531 1161 T N -3.914 110.594 114.554 -0.076 0.000 2.903 1161 T HA 0.277 4.628 4.350 0.000 0.000 0.299 1161 T C 0.365 174.996 174.700 -0.114 0.000 1.093 1161 T CA -0.879 61.186 62.100 -0.058 0.000 1.002 1161 T CB 1.168 69.986 68.868 -0.084 0.000 1.127 1161 T HN -0.125 nan 8.240 nan 0.000 0.488 1162 F N 0.454 120.278 119.950 -0.210 0.000 2.473 1162 F HA 0.232 4.759 4.527 0.000 0.000 0.294 1162 F C 0.896 176.345 175.800 -0.586 0.000 1.103 1162 F CA 0.588 58.349 58.000 -0.398 0.000 1.442 1162 F CB -0.037 38.700 39.000 -0.438 0.000 1.097 1162 F HN 0.692 nan 8.300 nan 0.000 0.547 1163 Y N 0.918 121.171 120.300 -0.078 0.000 2.344 1163 Y HA 0.149 4.699 4.550 0.000 0.000 0.261 1163 Y C -0.398 175.321 175.900 -0.302 0.000 1.080 1163 Y CA 0.543 58.547 58.100 -0.160 0.000 1.151 1163 Y CB -1.939 36.519 38.460 -0.003 0.000 1.059 1163 Y HN -0.210 nan 8.280 nan 0.000 0.490 1164 P HA -0.100 nan 4.420 nan 0.000 0.218 1164 P C 1.436 178.425 177.300 -0.518 0.000 1.149 1164 P CA 2.157 65.117 63.100 -0.233 0.000 0.817 1164 P CB -0.182 31.455 31.700 -0.105 0.000 0.785 1165 G N -0.175 108.196 108.800 -0.716 0.000 2.509 1165 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 1165 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 1165 G C 1.389 175.793 174.900 -0.826 0.000 1.124 1165 G CA 0.245 44.630 45.100 -1.190 0.000 0.776 1165 G HN 0.372 nan 8.290 nan 0.000 0.547 1166 Q N -0.633 118.693 119.800 -0.791 0.000 2.172 1166 Q HA 0.190 4.530 4.340 0.000 0.000 0.217 1166 Q C 0.007 175.666 176.000 -0.569 0.000 0.832 1166 Q CA -0.285 54.822 55.803 -1.160 0.000 1.010 1166 Q CB 0.508 28.478 28.738 -1.280 0.000 1.133 1166 Q HN 0.602 nan 8.270 nan 0.000 0.489 1167 E N 1.690 121.673 120.200 -0.362 0.000 2.199 1167 E HA -0.245 4.105 4.350 0.000 0.000 0.208 1167 E C -0.999 175.396 176.600 -0.341 0.000 1.310 1167 E CA 0.165 56.399 56.400 -0.276 0.000 0.709 1167 E CB -0.326 29.357 29.700 -0.028 0.000 1.127 1167 E HN 0.311 nan 8.360 nan 0.000 0.354 1168 R N 0.212 120.508 120.500 -0.340 0.000 2.349 1168 R HA 0.242 4.582 4.340 0.000 0.000 0.299 1168 R C 0.195 176.354 176.300 -0.236 0.000 1.027 1168 R CA -0.258 55.738 56.100 -0.173 0.000 0.958 1168 R CB 0.534 30.796 30.300 -0.063 0.000 1.047 1168 R HN 0.213 nan 8.270 nan 0.000 0.468 1169 Y N -0.029 120.310 120.300 0.065 0.000 2.430 1169 Y HA 0.004 4.554 4.550 0.000 0.000 0.248 1169 Y C 0.619 176.552 175.900 0.055 0.000 1.108 1169 Y CA -0.260 57.872 58.100 0.053 0.000 1.264 1169 Y CB 0.558 39.038 38.460 0.034 0.000 1.172 1169 Y HN 0.552 nan 8.280 nan 0.000 0.520 1170 D N 1.486 122.008 120.400 0.203 0.000 2.688 1170 D HA 0.047 4.687 4.640 0.000 0.000 0.228 1170 D C 0.227 176.603 176.300 0.126 0.000 1.116 1170 D CA 0.260 54.351 54.000 0.152 0.000 1.023 1170 D CB -0.279 40.610 40.800 0.148 0.000 1.100 1170 D HN 0.242 nan 8.370 nan 0.000 0.487 1171 T N -3.242 111.360 114.554 0.079 0.000 2.773 1171 T HA 0.196 4.546 4.350 0.000 0.000 0.278 1171 T C 0.868 175.585 174.700 0.029 0.000 1.011 1171 T CA -0.894 61.207 62.100 0.002 0.000 1.014 1171 T CB 1.026 69.873 68.868 -0.035 0.000 1.293 1171 T HN 0.058 nan 8.240 nan 0.000 0.554 1172 Y N 1.575 121.819 120.300 -0.093 0.000 2.097 1172 Y HA -0.097 4.453 4.550 0.000 0.000 0.282 1172 Y C 2.752 178.638 175.900 -0.023 0.000 1.152 1172 Y CA 2.665 60.731 58.100 -0.058 0.000 1.136 1172 Y CB -0.711 37.704 38.460 -0.076 0.000 0.975 1172 Y HN 0.730 nan 8.280 nan 0.000 0.498 1173 S N -1.078 114.491 115.700 -0.218 0.000 2.458 1173 S HA 0.170 4.640 4.470 0.000 0.000 0.223 1173 S C 1.922 176.451 174.600 -0.118 0.000 1.019 1173 S CA 0.617 58.652 58.200 -0.275 0.000 0.937 1173 S CB -0.641 62.508 63.200 -0.086 0.000 0.788 1173 S HN 1.033 nan 8.310 nan 0.000 0.511 1174 G N 1.641 110.429 108.800 -0.020 0.000 2.166 1174 G HA2 -0.335 3.625 3.960 0.000 0.000 0.260 1174 G HA3 -0.335 3.625 3.960 0.000 0.000 0.260 1174 G C 0.044 175.051 174.900 0.177 0.000 0.986 1174 G CA 0.533 45.684 45.100 0.085 0.000 0.683 1174 G HN 0.865 nan 8.290 nan 0.000 0.527 1175 R N -0.521 120.041 120.500 0.103 0.000 2.589 1175 R HA 0.685 5.025 4.340 0.000 0.000 0.293 1175 R C -1.033 175.311 176.300 0.073 0.000 0.963 1175 R CA -0.639 55.535 56.100 0.124 0.000 0.905 1175 R CB 1.798 32.137 30.300 0.064 0.000 1.144 1175 R HN 0.130 nan 8.270 nan 0.000 0.459 1176 V N 4.694 124.671 119.914 0.105 0.000 2.531 1176 V HA 0.211 4.331 4.120 0.000 0.000 0.301 1176 V C 0.009 176.170 176.094 0.112 0.000 1.034 1176 V CA -0.880 61.438 62.300 0.030 0.000 0.865 1176 V CB 1.696 33.439 31.823 -0.134 0.000 0.995 1176 V HN 0.683 nan 8.190 nan 0.000 0.424 1177 V N 6.122 126.112 119.914 0.127 0.000 2.901 1177 V HA 0.059 4.179 4.120 0.000 0.000 0.307 1177 V C 1.868 178.024 176.094 0.103 0.000 1.084 1177 V CA 0.853 63.225 62.300 0.121 0.000 1.184 1177 V CB 0.922 32.831 31.823 0.144 0.000 0.941 1177 V HN 0.986 nan 8.190 nan 0.000 0.493 1178 R N 3.851 124.383 120.500 0.053 0.000 2.159 1178 R HA -0.263 4.077 4.340 0.000 0.000 0.249 1178 R C 2.319 178.593 176.300 -0.043 0.000 1.136 1178 R CA 2.761 58.869 56.100 0.013 0.000 0.951 1178 R CB -0.472 29.825 30.300 -0.004 0.000 0.876 1178 R HN 0.851 nan 8.270 nan 0.000 0.440 1179 R N -0.680 119.752 120.500 -0.112 0.000 2.119 1179 R HA -0.194 4.147 4.340 0.000 0.000 0.246 1179 R C 1.484 177.501 176.300 -0.472 0.000 1.146 1179 R CA 2.257 58.162 56.100 -0.325 0.000 0.962 1179 R CB -0.282 29.737 30.300 -0.468 0.000 0.863 1179 R HN 0.369 nan 8.270 nan 0.000 0.442 1180 F N 0.394 120.358 119.950 0.023 0.000 2.695 1180 F HA 0.255 4.782 4.527 0.000 0.000 0.303 1180 F C 0.298 176.099 175.800 0.003 0.000 1.091 1180 F CA -0.314 57.697 58.000 0.019 0.000 1.300 1180 F CB 0.459 39.471 39.000 0.021 0.000 1.071 1180 F HN -0.274 nan 8.300 nan 0.000 0.578 1181 K N 0.765 121.238 120.400 0.122 0.000 2.412 1181 K HA 0.275 4.595 4.320 0.000 0.000 0.284 1181 K C 1.174 177.817 176.600 0.071 0.000 1.046 1181 K CA 0.701 57.071 56.287 0.137 0.000 0.999 1181 K CB 0.369 32.936 32.500 0.111 0.000 0.941 1181 K HN 0.338 nan 8.250 nan 0.000 0.474 1182 G N 1.975 110.837 108.800 0.104 0.000 2.168 1182 G HA2 -0.356 3.604 3.960 0.000 0.000 0.263 1182 G HA3 -0.356 3.604 3.960 0.000 0.000 0.263 1182 G C 0.987 175.846 174.900 -0.069 0.000 0.977 1182 G CA 0.853 45.969 45.100 0.026 0.000 0.659 1182 G HN 0.689 nan 8.290 nan 0.000 0.533 1183 S N -0.703 114.959 115.700 -0.064 0.000 2.383 1183 S HA 0.017 4.487 4.470 0.000 0.000 0.227 1183 S C 2.264 176.649 174.600 -0.358 0.000 1.026 1183 S CA 1.636 59.657 58.200 -0.300 0.000 0.981 1183 S CB -0.296 62.897 63.200 -0.012 0.000 0.818 1183 S HN 0.662 nan 8.310 nan 0.000 0.472 1184 M N 2.371 122.008 119.600 0.061 0.000 2.080 1184 M HA -0.216 4.264 4.480 0.000 0.000 0.260 1184 M C 2.271 178.617 176.300 0.077 0.000 1.068 1184 M CA 2.318 57.752 55.300 0.224 0.000 1.109 1184 M CB -0.416 32.363 32.600 0.298 0.000 1.342 1184 M HN 0.603 nan 8.290 nan 0.000 0.405 1185 E N -0.276 119.935 120.200 0.018 0.000 2.110 1185 E HA -0.235 4.115 4.350 0.000 0.000 0.193 1185 E C 1.608 178.180 176.600 -0.047 0.000 0.988 1185 E CA 1.759 58.159 56.400 0.000 0.000 0.804 1185 E CB -0.569 29.128 29.700 -0.006 0.000 0.745 1185 E HN 0.647 nan 8.360 nan 0.000 0.458 1186 E N 0.573 120.672 120.200 -0.170 0.000 2.047 1186 E HA -0.141 4.209 4.350 0.000 0.000 0.191 1186 E C 1.835 178.381 176.600 -0.089 0.000 0.987 1186 E CA 1.425 57.684 56.400 -0.235 0.000 0.799 1186 E CB -0.275 29.123 29.700 -0.503 0.000 0.752 1186 E HN 0.446 nan 8.360 nan 0.000 0.449 1187 W N 1.400 122.708 121.300 0.014 0.000 2.358 1187 W HA -0.199 4.461 4.660 -0.000 0.000 0.303 1187 W C 2.507 178.995 176.519 -0.052 0.000 1.208 1187 W CA 0.292 57.618 57.345 -0.031 0.000 1.274 1187 W CB -0.130 29.278 29.460 -0.087 0.000 1.138 1187 W HN 0.132 nan 8.180 nan 0.000 0.515 1188 Q N 0.311 120.214 119.800 0.171 0.000 2.050 1188 Q HA -0.191 4.150 4.340 0.000 0.000 0.202 1188 Q C 2.494 178.536 176.000 0.070 0.000 0.980 1188 Q CA 1.779 57.634 55.803 0.087 0.000 0.840 1188 Q CB -0.655 28.120 28.738 0.062 0.000 0.898 1188 Q HN 0.314 nan 8.270 nan 0.000 0.424 1189 A N 0.499 123.352 122.820 0.055 0.000 2.019 1189 A HA -0.121 4.199 4.320 0.000 0.000 0.219 1189 A C 1.825 179.439 177.584 0.051 0.000 1.164 1189 A CA 1.153 53.211 52.037 0.035 0.000 0.644 1189 A CB -0.345 18.661 19.000 0.011 0.000 0.805 1189 A HN 0.312 nan 8.150 nan 0.000 0.449 1190 M N -1.275 118.380 119.600 0.092 0.000 2.561 1190 M HA 0.185 4.665 4.480 0.000 0.000 0.238 1190 M C 1.266 177.616 176.300 0.082 0.000 1.131 1190 M CA 0.699 56.061 55.300 0.104 0.000 1.046 1190 M CB 0.240 32.952 32.600 0.187 0.000 1.532 1190 M HN 0.589 nan 8.290 nan 0.000 0.497 1191 G N 0.907 109.748 108.800 0.068 0.000 2.136 1191 G HA2 -0.202 3.758 3.960 0.000 0.000 0.242 1191 G HA3 -0.202 3.758 3.960 0.000 0.000 0.242 1191 G C 0.036 174.957 174.900 0.034 0.000 0.989 1191 G CA -0.243 44.888 45.100 0.051 0.000 0.682 1191 G HN 0.320 nan 8.290 nan 0.000 0.522 1192 V N 1.697 121.628 119.914 0.027 0.000 2.585 1192 V HA 0.224 4.344 4.120 0.000 0.000 0.296 1192 V C 1.855 177.899 176.094 -0.084 0.000 1.035 1192 V CA 0.972 63.240 62.300 -0.052 0.000 1.084 1192 V CB 1.203 32.963 31.823 -0.106 0.000 0.953 1192 V HN 0.411 nan 8.190 nan 0.000 0.483 1193 M N 3.683 123.221 119.600 -0.104 0.000 2.193 1193 M HA 0.086 4.566 4.480 0.000 0.000 0.265 1193 M C 0.724 176.929 176.300 -0.158 0.000 1.071 1193 M CA 1.429 56.656 55.300 -0.120 0.000 1.140 1193 M CB -0.131 32.414 32.600 -0.093 0.000 1.369 1193 M HN 0.976 nan 8.290 nan 0.000 0.423 1194 N N -2.521 116.064 118.700 -0.191 0.000 3.179 1194 N HA 0.328 5.068 4.740 0.000 0.000 0.250 1194 N C -1.789 173.572 175.510 -0.248 0.000 1.507 1194 N CA -0.962 51.976 53.050 -0.187 0.000 0.883 1194 N CB 1.107 39.545 38.487 -0.082 0.000 1.435 1194 N HN -0.147 nan 8.380 nan 0.000 0.532 1195 Y N -0.647 119.596 120.300 -0.095 0.000 2.468 1195 Y HA 0.566 5.116 4.550 0.000 0.000 0.342 1195 Y C -0.325 175.516 175.900 -0.099 0.000 1.021 1195 Y CA -0.223 57.803 58.100 -0.123 0.000 1.079 1195 Y CB 1.949 40.313 38.460 -0.159 0.000 1.226 1195 Y HN 0.913 nan 8.280 nan 0.000 0.460 1196 E N -0.309 119.951 120.200 0.100 0.000 2.425 1196 E HA 0.499 4.849 4.350 0.000 0.000 0.272 1196 E C -1.207 175.412 176.600 0.030 0.000 1.061 1196 E CA -0.745 55.685 56.400 0.049 0.000 0.877 1196 E CB 1.126 30.845 29.700 0.032 0.000 1.590 1196 E HN 0.456 nan 8.360 nan 0.000 0.462 1197 M N -0.527 119.090 119.600 0.029 0.000 2.340 1197 M HA 0.341 4.821 4.480 0.000 0.000 0.345 1197 M C -0.094 176.217 176.300 0.019 0.000 1.008 1197 M CA 0.142 55.455 55.300 0.021 0.000 0.987 1197 M CB 0.717 33.335 32.600 0.031 0.000 1.598 1197 M HN 0.498 nan 8.290 nan 0.000 0.569 1198 E N -0.313 119.896 120.200 0.015 0.000 2.474 1198 E HA 0.067 4.417 4.350 0.000 0.000 0.215 1198 E C 1.872 178.468 176.600 -0.007 0.000 0.867 1198 E CA 0.693 57.097 56.400 0.007 0.000 1.135 1198 E CB 0.290 29.997 29.700 0.011 0.000 1.147 1198 E HN 0.321 nan 8.360 nan 0.000 0.534 1199 S N 1.054 116.751 115.700 -0.006 0.000 2.383 1199 S HA -0.172 4.298 4.470 0.000 0.000 0.229 1199 S C 2.225 176.816 174.600 -0.015 0.000 1.030 1199 S CA 1.109 59.300 58.200 -0.014 0.000 1.002 1199 S CB -0.361 62.833 63.200 -0.011 0.000 0.829 1199 S HN 0.238 nan 8.310 nan 0.000 0.467 1200 A N 1.689 124.507 122.820 -0.003 0.000 1.883 1200 A HA -0.068 4.253 4.320 0.000 0.000 0.217 1200 A C 2.472 180.063 177.584 0.012 0.000 1.186 1200 A CA 2.269 54.315 52.037 0.015 0.000 0.624 1200 A CB -1.720 17.298 19.000 0.031 0.000 0.822 1200 A HN 0.593 nan 8.150 nan 0.000 0.444 1201 T N -0.123 114.429 114.554 -0.004 0.000 2.701 1201 T HA -0.099 4.251 4.350 0.000 0.000 0.263 1201 T C 1.877 176.479 174.700 -0.163 0.000 1.040 1201 T CA 1.431 63.504 62.100 -0.045 0.000 1.147 1201 T CB -0.414 68.439 68.868 -0.025 0.000 0.865 1201 T HN 0.343 nan 8.240 nan 0.000 0.426 1202 L N 1.180 122.317 121.223 -0.144 0.000 1.989 1202 L HA -0.027 4.313 4.340 0.000 0.000 0.211 1202 L C 2.177 178.940 176.870 -0.178 0.000 1.071 1202 L CA 1.740 56.459 54.840 -0.203 0.000 0.749 1202 L CB -0.780 41.200 42.059 -0.133 0.000 0.890 1202 L HN 0.248 nan 8.230 nan 0.000 0.431 1203 L N -1.334 119.840 121.223 -0.082 0.000 2.056 1203 L HA -0.180 4.160 4.340 0.000 0.000 0.207 1203 L C 2.369 179.242 176.870 0.005 0.000 1.078 1203 L CA 1.719 56.544 54.840 -0.025 0.000 0.749 1203 L CB -1.194 40.872 42.059 0.013 0.000 0.901 1203 L HN 0.297 nan 8.230 nan 0.000 0.433 1204 T N 0.681 115.240 114.554 0.010 0.000 2.777 1204 T HA -0.196 4.154 4.350 0.000 0.000 0.266 1204 T C 1.868 176.514 174.700 -0.089 0.000 1.040 1204 T CA 1.876 64.012 62.100 0.060 0.000 1.141 1204 T CB -0.221 68.704 68.868 0.094 0.000 0.868 1204 T HN 0.435 nan 8.240 nan 0.000 0.444 1205 M N 0.091 119.521 119.600 -0.284 0.000 2.229 1205 M HA 0.017 4.497 4.480 0.000 0.000 0.264 1205 M C 2.237 178.358 176.300 -0.299 0.000 1.063 1205 M CA 1.383 56.379 55.300 -0.507 0.000 1.114 1205 M CB -1.123 30.738 32.600 -1.232 0.000 1.387 1205 M HN 0.172 nan 8.290 nan 0.000 0.420 1206 C N 1.439 120.603 119.300 -0.227 0.000 2.486 1206 C HA 0.167 4.627 4.460 0.000 0.000 0.279 1206 C C 3.286 178.275 174.990 -0.002 0.000 1.302 1206 C CA 1.000 59.947 59.018 -0.119 0.000 1.720 1206 C CB -1.080 26.600 27.740 -0.100 0.000 2.030 1206 C HN 0.754 nan 8.230 nan 0.000 0.490 1207 A N 1.001 123.856 122.820 0.058 0.000 2.019 1207 A HA -0.115 4.205 4.320 0.000 0.000 0.219 1207 A C 2.141 179.845 177.584 0.200 0.000 1.164 1207 A CA 2.066 54.214 52.037 0.185 0.000 0.644 1207 A CB -0.536 18.661 19.000 0.329 0.000 0.805 1207 A HN 0.708 nan 8.150 nan 0.000 0.449 1208 S N -1.885 113.810 115.700 -0.007 0.000 2.556 1208 S HA 0.160 4.630 4.470 0.000 0.000 0.216 1208 S C 0.950 175.519 174.600 -0.053 0.000 0.970 1208 S CA 0.183 58.285 58.200 -0.164 0.000 0.912 1208 S CB 0.083 62.974 63.200 -0.516 0.000 0.790 1208 S HN 0.624 nan 8.310 nan 0.000 0.504 1209 Q N 0.472 120.266 119.800 -0.009 0.000 2.110 1209 Q HA 0.371 4.711 4.340 0.000 0.000 0.232 1209 Q C 0.665 176.689 176.000 0.040 0.000 0.810 1209 Q CA 0.021 55.833 55.803 0.015 0.000 1.083 1209 Q CB 0.964 29.704 28.738 0.004 0.000 1.193 1209 Q HN 0.629 nan 8.270 nan 0.000 0.471 1210 G N 1.350 110.183 108.800 0.056 0.000 2.179 1210 G HA2 -0.277 3.683 3.960 0.000 0.000 0.257 1210 G HA3 -0.277 3.683 3.960 0.000 0.000 0.257 1210 G C -0.081 174.866 174.900 0.077 0.000 1.010 1210 G CA 0.298 45.438 45.100 0.067 0.000 0.736 1210 G HN 0.278 nan 8.290 nan 0.000 0.513 1211 L N -0.936 120.338 121.223 0.085 0.000 2.330 1211 L HA 0.703 5.043 4.340 0.000 0.000 0.271 1211 L C 0.866 177.814 176.870 0.130 0.000 1.013 1211 L CA -1.231 53.686 54.840 0.129 0.000 0.816 1211 L CB 1.444 43.606 42.059 0.172 0.000 1.287 1211 L HN 0.048 nan 8.230 nan 0.000 0.435 1212 R N 1.234 121.828 120.500 0.156 0.000 2.407 1212 R HA 0.815 5.155 4.340 0.000 0.000 0.303 1212 R C -0.868 175.537 176.300 0.175 0.000 0.981 1212 R CA -0.566 55.613 56.100 0.131 0.000 0.905 1212 R CB 1.851 32.207 30.300 0.094 0.000 1.099 1212 R HN 0.729 nan 8.270 nan 0.000 0.459 1213 A N 1.190 124.085 122.820 0.125 0.000 2.549 1213 A HA 0.835 5.155 4.320 0.000 0.000 0.297 1213 A C -0.924 176.704 177.584 0.074 0.000 1.061 1213 A CA -0.623 51.489 52.037 0.124 0.000 0.690 1213 A CB 2.283 21.327 19.000 0.074 0.000 1.287 1213 A HN 0.774 nan 8.150 nan 0.000 0.402 1214 G N -0.318 108.522 108.800 0.066 0.000 2.695 1214 G HA2 0.692 4.652 3.960 0.000 0.000 0.290 1214 G HA3 0.692 4.652 3.960 0.000 0.000 0.290 1214 G C -1.213 173.707 174.900 0.033 0.000 1.410 1214 G CA -0.363 44.758 45.100 0.036 0.000 0.844 1214 G HN 1.222 nan 8.290 nan 0.000 0.478 1215 M N 1.167 120.778 119.600 0.019 0.000 2.322 1215 M HA 0.680 5.160 4.480 0.000 0.000 0.286 1215 M C -1.984 174.323 176.300 0.010 0.000 1.111 1215 M CA -0.807 54.504 55.300 0.017 0.000 0.941 1215 M CB 2.281 34.889 32.600 0.014 0.000 1.671 1215 M HN 0.685 nan 8.290 nan 0.000 0.470 1216 V N 3.909 123.830 119.914 0.012 0.000 2.876 1216 V HA 1.051 5.171 4.120 0.000 0.000 0.312 1216 V C -1.581 174.522 176.094 0.014 0.000 1.085 1216 V CA 0.000 62.306 62.300 0.010 0.000 0.945 1216 V CB 2.069 33.895 31.823 0.005 0.000 1.017 1216 V HN 1.094 nan 8.190 nan 0.000 0.428 1217 A N 3.478 126.308 122.820 0.017 0.000 2.574 1217 A HA 0.871 5.191 4.320 0.000 0.000 0.297 1217 A C -0.338 177.261 177.584 0.026 0.000 1.062 1217 A CA -0.109 51.940 52.037 0.020 0.000 0.686 1217 A CB 1.760 20.770 19.000 0.017 0.000 1.285 1217 A HN 1.615 nan 8.150 nan 0.000 0.403 1218 G N 0.201 109.018 108.800 0.028 0.000 2.332 1218 G HA2 0.533 4.493 3.960 0.000 0.000 0.310 1218 G HA3 0.533 4.493 3.960 0.000 0.000 0.310 1218 G C -0.489 174.430 174.900 0.031 0.000 1.123 1218 G CA -0.378 44.744 45.100 0.036 0.000 0.873 1218 G HN 0.960 nan 8.290 nan 0.000 0.460 1219 V N 3.760 123.695 119.914 0.034 0.000 2.439 1219 V HA 0.113 4.233 4.120 0.000 0.000 0.271 1219 V C 1.314 177.423 176.094 0.024 0.000 1.040 1219 V CA 0.049 62.362 62.300 0.023 0.000 1.002 1219 V CB 0.699 32.532 31.823 0.016 0.000 1.000 1219 V HN 0.770 nan 8.190 nan 0.000 0.477 1220 I N 3.232 123.815 120.570 0.021 0.000 4.082 1220 I HA 0.579 4.749 4.170 0.000 0.000 0.337 1220 I C 0.147 176.276 176.117 0.021 0.000 1.352 1220 I CA 0.171 61.483 61.300 0.021 0.000 1.097 1220 I CB 1.055 39.066 38.000 0.019 0.000 1.048 1220 I HN 0.432 nan 8.210 nan 0.000 0.393 1221 V N 1.072 120.998 119.914 0.019 0.000 3.236 1221 V HA 0.476 4.596 4.120 0.000 0.000 0.287 1221 V C -2.086 174.014 176.094 0.010 0.000 1.491 1221 V CA -0.557 61.755 62.300 0.019 0.000 1.037 1221 V CB 2.367 34.208 31.823 0.031 0.000 1.160 1221 V HN 0.379 nan 8.190 nan 0.000 0.453 1222 N N 3.411 122.117 118.700 0.009 0.000 2.558 1222 N HA 0.357 5.097 4.740 0.000 0.000 0.285 1222 N C 0.701 176.219 175.510 0.013 0.000 1.112 1222 N CA -0.325 52.725 53.050 0.000 0.000 0.857 1222 N CB 1.924 40.402 38.487 -0.015 0.000 1.376 1222 N HN 0.833 nan 8.380 nan 0.000 0.526 1223 R N 0.852 121.365 120.500 0.021 0.000 2.328 1223 R HA -0.046 4.294 4.340 0.000 0.000 0.207 1223 R C 0.799 177.119 176.300 0.035 0.000 1.056 1223 R CA 1.537 57.657 56.100 0.032 0.000 1.016 1223 R CB -0.524 29.799 30.300 0.038 0.000 0.872 1223 R HN 0.427 nan 8.270 nan 0.000 0.471 1224 T N -2.820 111.749 114.554 0.026 0.000 3.107 1224 T HA 0.105 4.455 4.350 0.000 0.000 0.249 1224 T C 0.407 175.121 174.700 0.023 0.000 1.096 1224 T CA -0.294 61.823 62.100 0.028 0.000 1.012 1224 T CB 0.207 69.090 68.868 0.025 0.000 0.977 1224 T HN 0.283 nan 8.240 nan 0.000 0.527 1225 Q N 1.128 120.940 119.800 0.019 0.000 2.309 1225 Q HA 0.345 4.685 4.340 0.000 0.000 0.264 1225 Q C 0.809 176.821 176.000 0.021 0.000 1.008 1225 Q CA -0.709 55.105 55.803 0.018 0.000 0.853 1225 Q CB 2.063 30.809 28.738 0.013 0.000 1.314 1225 Q HN 0.502 nan 8.270 nan 0.000 0.448 1226 Q N 0.715 120.527 119.800 0.021 0.000 2.311 1226 Q HA 0.008 4.348 4.340 0.000 0.000 0.203 1226 Q C 0.115 176.127 176.000 0.020 0.000 0.954 1226 Q CA 0.570 56.386 55.803 0.021 0.000 0.885 1226 Q CB 0.272 29.022 28.738 0.020 0.000 0.963 1226 Q HN 0.570 nan 8.270 nan 0.000 0.471 1227 E N 1.405 121.616 120.200 0.019 0.000 2.376 1227 E HA 0.124 4.474 4.350 0.000 0.000 0.266 1227 E C -0.732 175.880 176.600 0.018 0.000 1.009 1227 E CA -0.291 56.119 56.400 0.018 0.000 0.902 1227 E CB 0.563 30.273 29.700 0.017 0.000 0.972 1227 E HN 0.278 nan 8.360 nan 0.000 0.439 1228 I N 5.851 126.432 120.570 0.019 0.000 2.581 1228 I HA 0.153 4.323 4.170 0.000 0.000 0.288 1228 I C -1.849 174.278 176.117 0.018 0.000 1.047 1228 I CA -2.137 59.175 61.300 0.020 0.000 1.374 1228 I CB 0.690 38.702 38.000 0.020 0.000 1.423 1228 I HN 0.461 nan 8.210 nan 0.000 0.549 1229 P HA 0.041 nan 4.420 nan 0.000 0.268 1229 P C -0.806 176.503 177.300 0.014 0.000 1.204 1229 P CA -0.143 62.967 63.100 0.017 0.000 0.768 1229 P CB 0.200 31.911 31.700 0.018 0.000 0.842 1230 N N 1.901 120.609 118.700 0.013 0.000 2.329 1230 N HA -0.107 4.633 4.740 0.000 0.000 0.237 1230 N C 1.516 177.030 175.510 0.007 0.000 1.258 1230 N CA 0.444 53.500 53.050 0.010 0.000 0.866 1230 N CB 0.359 38.852 38.487 0.011 0.000 1.102 1230 N HN 0.417 nan 8.380 nan 0.000 0.440 1231 A N 1.869 124.693 122.820 0.005 0.000 2.023 1231 A HA -0.226 4.094 4.320 0.000 0.000 0.223 1231 A C 1.047 178.630 177.584 -0.002 0.000 1.180 1231 A CA 1.562 53.600 52.037 0.002 0.000 0.659 1231 A CB -0.250 18.751 19.000 0.001 0.000 0.817 1231 A HN 0.690 nan 8.150 nan 0.000 0.466 1232 E N -0.047 120.151 120.200 -0.003 0.000 2.354 1232 E HA 0.052 4.402 4.350 0.000 0.000 0.260 1232 E C 0.975 177.571 176.600 -0.006 0.000 1.405 1232 E CA 0.417 56.811 56.400 -0.010 0.000 1.728 1232 E CB -0.519 29.172 29.700 -0.015 0.000 1.471 1232 E HN 0.534 nan 8.360 nan 0.000 0.441 1233 T N -0.074 114.480 114.554 -0.000 0.000 2.896 1233 T HA -0.198 4.152 4.350 0.000 0.000 0.270 1233 T C 1.390 176.092 174.700 0.003 0.000 1.104 1233 T CA 1.624 63.727 62.100 0.005 0.000 1.115 1233 T CB 0.066 68.939 68.868 0.008 0.000 0.843 1233 T HN 0.274 nan 8.240 nan 0.000 0.523 1234 M N -1.656 117.940 119.600 -0.006 0.000 2.463 1234 M HA 0.281 4.761 4.480 0.000 0.000 0.201 1234 M C 1.961 178.245 176.300 -0.026 0.000 1.799 1234 M CA -0.324 54.970 55.300 -0.011 0.000 1.094 1234 M CB -0.116 32.476 32.600 -0.013 0.000 1.408 1234 M HN -0.132 nan 8.290 nan 0.000 0.581 1235 K N 1.444 121.823 120.400 -0.036 0.000 2.057 1235 K HA -0.368 3.952 4.320 0.000 0.000 0.230 1235 K C 1.896 178.441 176.600 -0.092 0.000 0.885 1235 K CA 2.613 58.865 56.287 -0.057 0.000 1.000 1235 K CB -1.055 31.414 32.500 -0.052 0.000 0.664 1235 K HN 0.425 nan 8.250 nan 0.000 0.621 1236 Q N 0.309 120.046 119.800 -0.105 0.000 2.096 1236 Q HA -0.195 4.145 4.340 0.000 0.000 0.208 1236 Q C 2.047 177.908 176.000 -0.232 0.000 0.993 1236 Q CA 2.684 58.368 55.803 -0.197 0.000 0.862 1236 Q CB -0.210 28.456 28.738 -0.121 0.000 0.915 1236 Q HN 0.480 nan 8.270 nan 0.000 0.416 1237 T N 1.114 115.631 114.554 -0.061 0.000 2.708 1237 T HA -0.142 4.208 4.350 0.000 0.000 0.266 1237 T C 1.590 176.292 174.700 0.003 0.000 1.037 1237 T CA 1.444 63.559 62.100 0.026 0.000 1.146 1237 T CB -0.199 68.693 68.868 0.040 0.000 0.865 1237 T HN 0.401 nan 8.240 nan 0.000 0.435 1238 E N 0.993 121.175 120.200 -0.030 0.000 2.058 1238 E HA -0.122 4.228 4.350 0.000 0.000 0.194 1238 E C 2.633 179.206 176.600 -0.045 0.000 0.997 1238 E CA 1.331 57.714 56.400 -0.029 0.000 0.801 1238 E CB -0.201 29.476 29.700 -0.039 0.000 0.746 1238 E HN 0.364 nan 8.360 nan 0.000 0.450 1239 S N 0.217 115.854 115.700 -0.104 0.000 2.359 1239 S HA -0.178 4.292 4.470 0.000 0.000 0.224 1239 S C 1.775 176.333 174.600 -0.070 0.000 1.035 1239 S CA 1.105 59.228 58.200 -0.129 0.000 1.018 1239 S CB -0.370 62.696 63.200 -0.223 0.000 0.876 1239 S HN 0.337 nan 8.310 nan 0.000 0.448 1240 H N 1.352 120.411 119.070 -0.018 0.000 2.353 1240 H HA 0.102 4.658 4.556 0.000 0.000 0.300 1240 H C 2.491 177.809 175.328 -0.018 0.000 1.090 1240 H CA 1.218 57.256 56.048 -0.017 0.000 1.327 1240 H CB -0.911 28.842 29.762 -0.015 0.000 1.383 1240 H HN 0.430 nan 8.280 nan 0.000 0.508 1241 A N 0.643 123.528 122.820 0.109 0.000 1.902 1241 A HA -0.122 4.198 4.320 0.000 0.000 0.217 1241 A C 2.838 180.439 177.584 0.029 0.000 1.181 1241 A CA 1.750 53.819 52.037 0.053 0.000 0.623 1241 A CB -0.849 18.171 19.000 0.035 0.000 0.818 1241 A HN 0.228 nan 8.150 nan 0.000 0.443 1242 V N 0.102 120.024 119.914 0.015 0.000 2.358 1242 V HA -0.256 3.864 4.120 0.000 0.000 0.246 1242 V C 2.507 178.603 176.094 0.003 0.000 1.047 1242 V CA 2.325 64.622 62.300 -0.004 0.000 1.035 1242 V CB -0.656 31.151 31.823 -0.026 0.000 0.658 1242 V HN 0.651 nan 8.190 nan 0.000 0.452 1243 K N 0.006 120.419 120.400 0.022 0.000 2.026 1243 K HA -0.162 4.158 4.320 0.000 0.000 0.208 1243 K C 2.109 178.719 176.600 0.017 0.000 1.048 1243 K CA 1.742 58.045 56.287 0.027 0.000 0.929 1243 K CB -0.233 32.307 32.500 0.068 0.000 0.713 1243 K HN 0.410 nan 8.250 nan 0.000 0.439 1244 I N 0.247 120.830 120.570 0.022 0.000 2.179 1244 I HA -0.266 3.904 4.170 0.000 0.000 0.242 1244 I C 2.337 178.451 176.117 -0.004 0.000 1.088 1244 I CA 0.955 62.257 61.300 0.004 0.000 1.357 1244 I CB -0.259 37.743 38.000 0.002 0.000 1.051 1244 I HN 0.067 nan 8.210 nan 0.000 0.409 1245 V N 0.434 120.348 119.914 0.000 0.000 2.515 1245 V HA -0.189 3.931 4.120 0.000 0.000 0.250 1245 V C 2.329 178.419 176.094 -0.007 0.000 1.058 1245 V CA 1.523 63.822 62.300 -0.003 0.000 1.064 1245 V CB 0.156 31.980 31.823 0.002 0.000 0.675 1245 V HN 0.213 nan 8.190 nan 0.000 0.461 1246 V N -0.117 119.793 119.914 -0.007 0.000 2.358 1246 V HA -0.130 3.990 4.120 0.000 0.000 0.246 1246 V C 2.612 178.700 176.094 -0.011 0.000 1.047 1246 V CA 1.938 64.232 62.300 -0.010 0.000 1.035 1246 V CB -0.622 31.195 31.823 -0.010 0.000 0.658 1246 V HN 0.539 nan 8.190 nan 0.000 0.452 1247 E N 0.441 120.635 120.200 -0.010 0.000 2.153 1247 E HA -0.148 4.202 4.350 0.000 0.000 0.194 1247 E C 2.311 178.900 176.600 -0.019 0.000 0.988 1247 E CA 1.437 57.829 56.400 -0.014 0.000 0.811 1247 E CB -0.524 29.168 29.700 -0.013 0.000 0.746 1247 E HN 0.573 nan 8.360 nan 0.000 0.466 1248 A N 1.448 124.255 122.820 -0.021 0.000 1.898 1248 A HA -0.036 4.284 4.320 0.000 0.000 0.216 1248 A C 2.433 180.002 177.584 -0.025 0.000 1.181 1248 A CA 1.912 53.933 52.037 -0.027 0.000 0.620 1248 A CB -0.597 18.387 19.000 -0.027 0.000 0.819 1248 A HN 0.260 nan 8.150 nan 0.000 0.442 1249 A N -0.318 122.490 122.820 -0.020 0.000 1.940 1249 A HA -0.202 4.118 4.320 0.000 0.000 0.219 1249 A C 2.233 179.805 177.584 -0.021 0.000 1.176 1249 A CA 1.730 53.754 52.037 -0.021 0.000 0.631 1249 A CB -0.541 18.447 19.000 -0.020 0.000 0.814 1249 A HN 0.539 nan 8.150 nan 0.000 0.446 1250 R N -0.184 120.305 120.500 -0.018 0.000 2.159 1250 R HA -0.114 4.226 4.340 0.000 0.000 0.237 1250 R C 1.757 178.046 176.300 -0.017 0.000 1.131 1250 R CA 1.483 57.573 56.100 -0.016 0.000 0.982 1250 R CB -0.142 30.149 30.300 -0.014 0.000 0.868 1250 R HN 0.567 nan 8.270 nan 0.000 0.453 1251 R N -0.389 120.099 120.500 -0.021 0.000 2.300 1251 R HA 0.096 4.436 4.340 0.000 0.000 0.199 1251 R C 1.391 177.677 176.300 -0.023 0.000 0.920 1251 R CA 0.241 56.327 56.100 -0.023 0.000 1.046 1251 R CB 0.351 30.633 30.300 -0.030 0.000 0.984 1251 R HN 0.245 nan 8.270 nan 0.000 0.493 1252 L N 0.470 121.680 121.223 -0.023 0.000 2.693 1252 L HA 0.248 4.588 4.340 0.000 0.000 0.235 1252 L C 0.596 177.454 176.870 -0.019 0.000 1.127 1252 L CA -0.102 54.725 54.840 -0.021 0.000 0.914 1252 L CB 0.268 42.313 42.059 -0.024 0.000 1.193 1252 L HN 0.019 nan 8.230 nan 0.000 0.502 1253 L N 0.000 121.211 121.223 -0.019 0.000 2.949 1253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1253 L CA 0.000 54.829 54.840 -0.019 0.000 0.813 1253 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502